#DEFINITION	Reference Metabolome for Passiflora edulis
#IDENTTFIER	RefMeta-Passiflora edulis.R1
#FORMAT	msr
#VERSION	1.0/R1
#KEYWORDS	RefMeta
#ORGANISM	Passiflora edulis
#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 Passiflora edulis was generated from multi-tissue LC-MS/MS data with redundance removed
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	999.3717
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01257	12.1
71.05885	2.1
72.99165	1.6
75.41373	1.0
83.01270	1.6
85.02807	4.8
87.00750	5.5
89.02331	8.7
95.01266	1.1
101.02335	8.4
103.71156	0.9
106.06493	2.9
108.04443	2.6
113.02319	5.4
119.03370	2.3
122.05986	3.7
132.04428	2.0
134.06018	15.3
136.03915	2.3
138.05530	2.0
144.38277	1.0
150.03189	1.2
150.05470	5.7
152.07072	3.6
160.03978	2.2
174.05566	1.4
175.02347	1.1
175.04968	2.0
187.08690	2.2
190.05011	1.5
201.10263	2.4
213.10205	3.1
215.11879	1.8
219.91623	1.6
227.11856	2.5
228.12579	1.9
229.09804	6.7
229.13258	2.1
239.11909	3.4
241.09872	2.4
255.11328	2.6
256.12210	2.2
257.12936	3.5
259.10822	3.0
265.09668	1.1
267.11252	1.2
283.10785	1.5
300.11041	2.9
301.11923	18.8
305.09167	1.9
314.12823	1.5
332.13934	1.7
337.11951	1.3
344.14163	1.5
356.14343	1.7
358.12030	2.1
370.15564	1.6
373.13922	1.7
374.14847	2.7
386.15100	2.2
398.15018	3.0
400.12860	4.2
410.14911	1.5
415.15146	1.9
416.16302	1.8
428.15796	1.9
431.09512	1.7
481.18262	4.6
608.22400	1.4
640.22211	1.6
879.78613	1.2
881.34955	1.4
923.35730	2.5
928.36475	1.3
967.34607	100.0
968.34808	26.0
999.37250	45.3
1000.37305	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	999.2524
Annotation	Unknow
Peak:m/z	Relative Intensity
73.30690	0.4
109.02827	1.4
120.20551	0.4
133.02837	6.5
139.30853	0.5
149.02321	0.7
161.02350	1.3
175.03868	2.3
177.01765	1.2
177.05513	0.7
191.03409	0.7
201.01874	0.9
203.03484	1.2
205.01434	1.2
217.05122	0.5
219.02679	0.7
254.05551	0.8
265.05002	0.6
267.06537	1.3
281.04382	0.7
282.05206	1.0
283.06085	1.5
284.13553	0.6
284.88730	0.6
295.06177	0.9
297.04016	2.9
298.04770	5.1
299.05579	4.2
309.04031	1.4
310.04715	0.9
311.05618	5.9
312.06378	4.7
313.07132	7.1
323.05719	1.2
325.03604	0.7
325.07028	1.3
327.05075	6.0
337.03363	0.6
338.04272	1.4
339.05032	13.0
341.06647	4.6
353.06723	2.2
355.04639	1.1
357.06021	1.9
367.04544	7.1
369.06107	22.5
370.06598	2.2
371.07779	0.7
381.06177	2.6
383.07477	0.7
385.05621	18.2
386.06168	1.5
397.05600	5.1
399.07220	12.5
400.07590	0.7
411.07098	1.7
415.06671	14.4
416.06805	1.2
427.06650	1.2
429.08060	0.8
441.08145	1.0
445.07593	1.2
471.09177	2.3
487.08752	5.0
489.03778	0.9
489.10376	12.1
490.10654	0.9
505.09857	76.0
506.10248	6.3
573.12720	1.2
591.13538	100.0
592.13782	12.1
592.22369	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	998.5688
Annotation	Unknow
Peak:m/z	Relative Intensity
69.18472	100.0
83.85376	8.9
94.46571	9.4
119.95313	9.0
121.48465	11.8
141.99628	8.9
246.22299	11.0
251.12744	9.0
318.30096	9.8
509.97260	9.2
528.22943	10.5
544.67383	9.6
571.43030	10.5
836.79175	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	999.2522
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01234	0.3
71.49535	0.3
71.49914	0.4
94.16533	0.2
109.02820	1.4
111.04367	0.3
121.02866	0.5
125.02377	0.3
133.02829	5.7
134.03645	0.4
135.04411	1.0
149.02304	0.6
151.03818	0.3
161.02315	0.6
163.00319	0.4
163.03931	0.6
163.10422	0.3
173.02408	0.3
175.03922	1.6
177.01784	1.5
177.05449	0.4
179.03452	0.3
187.03891	0.4
189.01883	0.4
191.03410	0.7
199.03873	0.4
201.01808	1.1
203.03435	1.5
205.01382	1.1
205.04959	0.5
207.02867	0.4
213.05530	0.7
215.03625	0.4
217.05107	0.4
219.02965	0.3
221.04431	0.4
225.05655	0.4
229.04932	0.4
233.04274	0.4
235.02298	0.4
239.07085	0.5
241.05072	0.5
243.02904	0.4
247.06023	0.6
249.03952	0.4
253.05002	0.6
254.05907	0.4
255.06760	0.3
257.04453	0.3
265.04987	0.3
266.05923	0.3
267.06689	0.8
269.04453	0.6
270.05298	0.4
275.05673	1.4
281.04654	0.5
283.06143	0.8
285.03964	0.9
293.04489	0.6
295.06027	0.6
297.04068	3.0
298.04800	5.7
299.05533	6.4
305.06702	0.9
309.03934	1.0
310.04715	1.0
311.05515	4.8
312.06366	4.3
313.03839	0.2
313.07117	5.7
314.07593	0.4
317.06564	0.8
323.05554	1.1
324.02774	0.4
325.03500	0.6
325.07147	0.9
327.05069	11.0
328.05472	0.4
329.06720	0.4
337.03323	0.5
338.04147	0.6
339.05038	10.2
339.09146	0.5
340.05563	1.0
341.06631	4.2
343.04532	0.8
344.05219	0.7
347.07535	0.8
351.05164	0.8
353.06586	2.4
355.04639	1.2
357.06146	3.7
358.06146	0.3
367.04550	4.4
368.04938	0.6
369.06113	21.9
370.06378	1.9
371.07529	0.7
379.04474	0.9
381.06067	2.0
383.07727	0.6
385.05606	10.7
386.05954	0.8
395.09451	0.4
397.05606	4.1
399.07150	11.0
400.07480	1.1
409.05551	0.7
411.07098	1.3
415.06689	9.9
416.07159	1.0
427.06616	0.8
429.08188	0.9
435.06998	0.5
437.10858	0.7
441.08163	1.2
445.07745	0.6
447.09253	2.6
453.08243	1.4
457.08032	0.4
463.08731	0.8
469.07651	0.5
471.09268	1.7
475.08850	1.1
483.09152	0.3
487.08749	2.8
488.09320	0.5
489.10318	11.9
490.10629	1.5
501.10770	0.4
505.09842	30.2
506.10165	3.0
573.12476	13.2
574.12665	1.7
591.13525	100.0
592.13885	12.6
592.23547	0.5
618.14612	12.2
619.14929	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	995.6101
Annotation	Unknow
Peak:m/z	Relative Intensity
69.29463	0.9
78.95773	9.9
83.04887	0.1
96.96830	0.2
121.99985	0.2
140.01076	2.1
150.69254	0.1
152.99501	1.3
157.84215	0.1
167.14896	0.1
171.00542	0.9
196.03716	1.1
214.04803	2.8
216.89972	0.1
261.22235	0.4
279.23270	100.0
280.23599	6.9
368.24002	0.1
476.27795	54.1
477.28113	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	995.6098
Annotation	Unknow
Peak:m/z	Relative Intensity
69.99210	0.5
69.99592	0.2
72.96134	0.1
78.95770	100.0
85.21500	0.1
96.96835	7.5
97.50246	0.1
99.24049	0.1
115.80537	0.1
122.00053	0.2
122.98382	0.1
140.01053	1.0
140.15407	0.1
150.97922	0.3
152.99480	19.8
153.99844	0.2
171.00540	21.5
172.00888	0.4
172.81065	0.1
175.35068	0.1
196.03711	0.7
214.04829	0.6
279.23264	7.2
280.23523	0.6
308.99826	0.1
372.81680	0.1
402.24112	2.9
403.24475	0.3
442.19656	0.1
476.27768	94.0
477.28107	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	993.3241
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03319	2.1
71.01248	92.8
71.50294	2.1
72.99173	2.4
73.02814	80.5
83.01254	33.9
85.02821	12.7
87.00751	3.8
89.02309	27.8
92.88161	2.1
93.03342	2.9
95.01246	5.3
101.02321	100.0
109.28503	1.8
113.02320	44.3
119.03396	20.5
121.02843	5.3
122.03625	5.6
125.02350	4.8
131.03362	9.0
135.04320	2.9
136.01553	6.6
137.02338	2.6
143.03392	11.5
149.02336	24.0
149.04420	18.2
150.03130	57.2
151.03821	7.7
155.03452	4.1
161.04462	35.0
164.04694	6.9
165.05464	61.4
166.02570	4.1
175.02322	2.3
179.05473	5.8
180.04178	4.9
181.05009	6.6
195.06544	47.3
196.06882	2.4
203.05492	4.9
221.06540	9.1
227.69807	2.0
267.02240	1.9
268.07370	2.8
296.06918	3.4
308.06961	3.5
309.07513	2.7
311.09308	3.3
322.08414	2.6
323.09183	8.9
324.06482	2.7
324.09955	4.6
338.11612	4.0
339.08768	26.3
340.09329	3.4
354.11020	14.4
355.11401	2.9
357.09543	2.6
369.06299	3.6
369.13403	69.3
370.13870	6.2
387.14410	8.3
407.84772	1.9
441.17969	3.1
517.18640	19.9
535.19867	14.4
553.20746	2.1
565.20599	6.5
583.21710	37.0
584.22205	5.1
612.50989	2.0
727.25842	5.3
745.26685	11.0
787.28052	47.0
788.28387	10.3
859.95477	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	993.3241
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03319	4.1
69.73338	1.6
70.52245	1.7
70.52602	5.1
71.01250	100.0
72.99174	5.3
73.02816	74.2
83.01254	30.9
85.02816	20.5
87.00738	5.8
89.02316	43.0
93.03344	2.6
95.01295	7.5
97.02813	1.9
99.00830	1.8
101.02320	94.1
102.02652	1.8
113.02330	52.1
114.02673	2.0
119.03388	26.2
120.39900	1.9
121.02821	5.1
122.03626	6.8
125.02319	3.5
131.03369	11.2
133.02827	4.0
136.01529	3.7
143.03401	14.9
149.02357	19.2
149.04427	20.0
150.03130	66.9
151.00244	1.9
151.03764	5.0
155.03389	2.4
160.01561	1.7
161.02319	1.9
161.04459	38.2
161.05757	1.3
162.03146	9.0
162.04361	1.8
164.04681	4.5
165.01765	2.3
165.05476	74.5
166.02592	2.5
166.05803	3.6
175.02402	3.2
175.03896	2.8
177.05518	8.9
179.05550	14.9
179.07014	3.1
180.04170	6.0
181.04924	5.3
187.03946	1.5
195.04823	3.2
195.06549	53.3
203.05475	4.2
221.06572	8.1
267.06561	3.7
268.07401	3.2
279.06561	2.0
283.09692	2.8
294.08844	2.4
295.06100	6.2
296.06818	3.1
297.04147	2.2
298.04364	2.6
299.05417	2.8
308.06787	5.8
309.07428	3.9
311.05258	1.9
311.09222	5.6
322.08353	4.2
323.09262	9.8
324.06342	3.4
324.09872	4.9
325.10513	2.4
327.05099	4.1
338.11588	4.6
339.04968	2.7
339.08640	37.7
339.12628	2.0
340.09012	4.5
354.11111	20.0
355.11630	2.7
357.05975	1.9
367.04611	2.4
369.05920	4.1
369.13394	81.7
370.13705	9.5
387.14349	6.6
397.05539	2.3
399.07324	3.0
415.10214	5.7
431.09476	2.4
447.09134	2.0
475.08618	6.4
517.18793	9.6
531.18689	6.2
545.12952	3.5
561.12640	9.7
583.21790	14.4
584.22467	3.3
588.13550	1.8
679.24207	2.1
727.26031	12.8
745.27112	7.8
746.27454	2.4
769.26422	2.3
787.28070	28.9
788.28210	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	989.6023
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03316	1.5
71.01250	13.8
71.04882	1.1
72.01579	0.6
72.99171	1.2
73.02815	2.4
75.00769	0.4
80.81696	0.3
81.03326	0.8
83.01254	1.9
83.04897	1.1
84.02028	0.5
85.02821	2.9
87.00770	2.6
88.98651	0.4
89.02318	10.1
90.02645	0.5
93.03326	0.4
95.01263	1.1
97.02830	2.4
97.06470	0.6
98.19788	1.0
99.00761	1.0
99.08019	1.2
101.02321	9.7
102.02673	0.6
111.00763	0.4
111.08036	0.4
113.02335	5.0
113.09629	2.3
114.02657	0.7
114.09950	0.4
119.03382	2.8
122.66070	0.4
125.02337	5.0
125.09622	1.2
127.03778	0.4
127.07566	0.4
127.11186	2.2
129.09108	2.2
130.09467	0.5
131.03334	0.4
139.11197	0.5
141.12746	1.6
143.03362	1.4
151.11159	0.9
153.12791	0.4
155.14291	0.7
161.04483	2.6
162.04829	0.4
163.11185	0.6
169.12334	0.9
171.10149	2.3
179.05553	2.6
181.12242	1.6
182.12633	0.7
183.13831	1.3
193.12366	0.5
197.11739	2.7
198.12057	1.4
199.13300	0.7
200.13692	0.8
211.13315	5.3
212.13799	2.7
213.13969	0.6
221.06625	1.0
235.08176	5.1
236.08485	0.8
245.06604	0.5
249.22336	0.5
251.23636	0.8
251.70547	0.4
252.13066	0.4
253.09200	1.4
277.21716	26.3
278.22055	6.3
279.22403	2.0
287.07736	1.7
291.23273	0.4
293.21234	4.3
294.21603	2.7
295.22827	2.9
305.08963	1.7
306.09286	0.4
309.20929	0.6
310.21002	0.4
311.22269	31.6
312.22617	22.6
313.23804	100.0
314.24155	7.5
323.09973	0.5
327.16516	0.4
397.13477	46.9
398.08493	0.6
398.13821	11.3
399.14023	5.4
415.14545	16.3
416.14893	3.3
417.15134	1.9
511.60342	0.4
539.21948	0.4
557.70020	0.4
582.01593	0.4
648.35321	0.4
675.35626	2.0
676.36127	0.9
909.44861	0.4
989.53381	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	988.2725
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01244	11.5
71.49653	1.6
73.02814	3.3
74.07906	1.0
78.88414	1.2
82.85177	1.1
83.01230	1.3
83.40539	1.1
84.04264	1.1
85.02808	6.1
101.02312	5.3
110.02348	9.4
113.02328	3.3
133.02902	1.3
135.04393	3.2
147.04407	14.8
158.05978	3.3
161.04485	12.8
172.05161	1.6
184.61600	1.2
186.05331	1.2
187.07635	1.2
187.91548	1.1
188.05547	3.7
189.05522	1.9
203.05528	11.7
206.44592	1.1
213.49875	1.1
214.22188	1.6
230.06636	44.2
231.06813	1.5
269.04532	12.0
270.04834	1.3
276.08777	11.6
284.03268	4.8
285.03955	2.0
294.09695	1.5
296.03040	1.7
297.04028	17.0
298.04797	38.9
299.05417	4.1
302.24869	1.1
302.99689	1.2
308.03223	1.5
309.04059	4.0
311.05634	5.1
312.02716	16.1
312.06393	4.8
313.03244	3.4
313.07114	5.4
325.03513	4.8
326.04349	2.1
327.05090	24.8
336.10864	8.4
339.04922	2.8
341.06619	54.3
342.06967	3.2
344.05179	1.7
353.06668	3.3
355.04333	1.5
359.14804	2.6
371.07690	14.9
372.07855	1.9
383.07620	2.2
401.08780	1.4
429.08334	6.0
444.10468	1.7
445.11371	93.7
446.11801	9.0
475.08389	2.5
592.14514	2.4
607.16638	100.0
608.17175	11.9
624.57367	1.4
648.79785	1.6
917.51257	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	987.5891
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03320	0.9
70.26332	0.6
70.26701	1.1
71.01251	10.1
72.15059	0.3
72.99165	0.5
73.02811	1.6
75.00734	0.4
81.03341	0.5
83.01251	1.2
83.04900	0.4
85.02834	1.7
87.00750	2.8
89.01762	0.5
89.02315	7.9
89.44424	0.3
95.01266	0.6
97.02813	1.9
97.06486	0.3
99.00759	0.7
99.08013	2.1
101.02319	8.4
111.04429	0.4
111.08034	0.4
113.02330	3.3
113.09612	2.2
119.03367	2.0
123.08019	0.4
125.02332	3.4
127.07527	0.6
129.09109	5.0
139.03912	0.3
139.11229	0.4
141.09100	0.5
143.03392	1.4
147.66110	0.3
151.11151	0.9
153.12744	0.5
155.10634	0.5
161.04451	1.9
163.11139	0.5
167.10625	0.5
167.14360	0.6
169.12244	2.0
171.10165	1.3
172.93794	0.3
177.12683	0.5
179.05521	1.3
181.12259	3.5
183.13863	2.3
193.12242	1.8
197.11737	7.1
198.12115	0.3
199.13326	3.4
200.13799	0.3
211.13327	13.9
212.13676	0.9
221.06534	0.7
235.08139	3.8
236.08502	0.3
249.22179	0.5
253.09225	0.8
263.07852	0.3
265.21713	0.6
275.20093	1.5
277.21701	22.9
278.21964	1.7
287.07758	1.7
293.21216	9.6
294.21426	0.8
305.08710	1.8
311.22253	100.0
312.22638	9.1
313.23596	1.2
323.09729	0.7
379.12299	0.3
397.13461	39.3
398.13644	3.4
415.14511	13.1
416.14926	1.1
492.69757	0.3
606.16095	0.3
675.35889	2.0
676.36292	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	987.5887
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99648	0.6
69.03314	1.4
70.09093	1.3
70.09503	1.6
71.01250	18.5
72.32219	0.6
72.99180	1.8
73.02827	3.5
79.82034	0.5
81.03337	1.5
81.78380	0.5
83.01253	2.8
85.02806	6.8
87.00742	10.9
87.04369	0.6
89.02317	15.0
95.01257	2.6
97.02832	3.9
99.00777	2.0
99.08024	1.4
101.02318	18.1
101.53807	0.6
102.66403	0.6
111.08031	0.8
113.02328	12.7
113.09618	2.0
116.92719	0.7
119.03412	3.6
125.02335	10.3
127.07549	1.1
129.09102	3.0
131.03401	1.2
139.11154	1.4
143.03381	3.9
151.11143	0.7
161.02386	0.7
161.04474	5.8
163.11261	0.8
165.12723	1.1
167.03416	0.9
169.12256	2.2
171.10150	1.3
176.11458	0.6
179.05489	4.7
181.12225	4.0
183.13812	2.2
185.04445	0.7
193.12262	0.9
197.11749	8.9
199.13326	4.4
211.13322	14.8
211.15182	1.1
212.13588	0.9
221.06465	1.3
233.22810	0.7
235.08177	11.4
253.09215	5.2
263.07651	0.9
265.21695	0.8
273.96988	0.6
275.20102	1.3
277.21719	53.1
278.21967	4.6
287.07773	2.8
291.19687	2.3
291.23239	1.0
292.19989	1.9
293.21262	11.4
294.21625	0.8
299.03464	0.7
305.08795	5.1
309.20731	11.0
310.17654	0.8
310.21072	8.4
311.22256	100.0
312.22672	9.6
314.35397	0.6
323.09644	1.4
377.74808	0.7
397.13483	65.5
398.13864	5.3
415.14551	43.3
416.14841	3.5
437.81177	0.7
675.35931	1.7
869.25287	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	987.5891
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03328	0.1
69.76714	0.3
71.01250	1.4
71.04898	0.1
72.99178	0.1
73.02831	0.3
83.01245	0.1
83.04899	0.1
84.01999	0.1
85.02815	0.3
87.00735	0.3
89.02314	0.9
90.40987	0.0
95.01295	0.1
95.04913	0.1
97.02828	0.2
97.06446	0.3
98.19801	0.1
99.08028	0.2
101.02312	1.0
113.02335	0.5
113.09612	0.6
115.07536	0.8
119.03387	0.3
125.02312	0.4
125.09590	0.1
126.06753	0.1
127.07550	0.4
127.11230	0.1
128.08315	0.6
139.11176	0.2
141.09142	0.1
143.03407	0.2
154.09862	0.1
160.07307	0.1
161.04468	0.2
165.12744	0.1
167.10634	0.1
167.14317	2.2
168.14709	0.1
169.12189	0.1
177.12785	0.2
179.05545	0.2
179.10588	0.1
181.12195	0.1
183.13826	1.8
184.14148	0.1
185.15395	0.1
195.13826	8.9
196.14172	0.5
211.13338	0.8
213.14931	1.0
221.06548	0.1
229.14462	0.2
235.08176	0.4
239.23676	0.2
241.14375	0.4
242.15158	1.0
249.22198	0.5
250.22353	0.1
253.09302	0.1
263.07465	0.1
265.21732	0.7
267.23245	0.6
275.20010	0.5
277.21701	2.8
278.21912	0.2
281.21344	0.1
283.22818	0.4
287.07739	0.1
291.19534	0.1
291.22604	0.1
293.21207	6.8
294.21500	0.6
305.08795	0.2
309.20715	0.3
310.20911	0.1
311.22250	100.0
312.22592	7.2
397.13455	4.7
398.13580	0.3
401.34082	0.1
407.81586	0.1
415.14505	1.4
416.14612	0.1
675.35901	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	985.5737
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03315	0.3
71.01249	3.5
71.50219	0.1
72.01588	0.1
72.99176	0.3
73.02811	0.5
80.02537	0.1
81.03295	0.2
83.01258	0.4
83.04896	0.5
83.74009	0.1
85.02830	0.8
87.00745	0.7
89.02316	2.7
93.03345	0.1
93.06997	0.2
95.01257	0.3
95.04899	0.2
97.02830	0.6
97.06469	0.2
99.00754	0.2
99.08051	0.2
101.02317	2.4
107.04979	0.1
107.08544	0.2
109.02838	0.1
109.06445	0.5
111.04440	0.2
111.08035	1.6
112.01551	0.1
113.02328	1.2
113.09554	0.2
115.44128	0.1
119.03388	0.7
119.04868	0.1
120.05718	0.1
121.06466	0.1
123.00783	0.1
123.04398	0.1
123.08070	0.3
125.02338	1.2
125.09618	0.7
127.07529	0.2
127.11180	1.2
129.09099	0.4
131.03316	0.1
133.05013	0.1
134.09070	0.1
135.08052	0.1
137.02347	0.1
137.05975	0.2
137.09613	0.3
138.06740	0.1
139.11159	0.1
140.08308	0.1
141.01752	0.1
141.09094	0.2
143.03389	0.4
149.04425	0.1
149.09586	0.3
151.07576	0.1
151.11185	1.1
153.09138	0.6
153.12743	3.5
154.13060	0.1
155.10712	1.0
157.12198	0.1
161.04449	0.5
161.09622	0.2
163.07564	0.1
163.11261	0.4
163.12442	0.1
165.09119	0.1
165.12755	0.7
166.09857	0.1
167.10674	1.6
167.14311	0.1
168.11351	0.1
169.12253	0.7
179.05473	0.5
179.10760	0.6
179.14334	1.7
181.12254	2.8
183.13840	0.1
189.12753	0.2
193.15915	0.7
197.11775	2.0
197.39629	0.1
199.13327	1.0
203.14252	0.1
207.13840	1.9
209.11876	0.1
211.13382	0.1
213.14935	0.1
215.12848	1.1
217.15968	0.2
219.17485	0.3
221.06697	0.1
225.11250	0.2
226.11996	0.4
227.12831	1.0
228.13568	0.7
229.19527	0.1
231.17532	0.3
235.08188	1.5
235.20715	0.1
237.22198	0.2
241.14381	0.4
245.19016	0.3
247.20631	3.8
248.20923	0.3
249.18423	0.1
251.53110	0.1
253.09261	0.3
253.21782	0.1
263.07962	0.1
263.20120	0.6
265.18903	0.1
265.21695	1.0
267.19699	0.1
273.18597	1.9
273.21411	0.2
274.18945	0.1
275.16489	0.2
277.21704	6.8
278.22086	0.6
281.21191	1.5
287.07822	0.3
289.18387	0.1
291.19647	23.3
292.20001	1.7
305.08871	0.3
309.20682	100.0
310.21030	7.1
323.09677	0.2
379.11993	0.1
397.13464	12.1
398.13824	0.8
415.14542	3.9
416.14810	0.3
617.19623	0.1
675.36096	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	971.5937
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03326	1.4
71.01251	15.9
71.50651	0.5
72.99178	1.5
73.02817	2.0
75.00749	0.5
81.03309	0.6
83.01254	1.9
83.04881	0.4
85.02818	3.8
87.00741	3.6
89.02312	14.2
93.03357	0.3
95.01252	1.3
95.04893	0.3
97.02831	2.8
99.00727	0.8
101.02313	13.6
111.04428	0.4
113.02320	6.8
115.03771	0.4
116.92736	0.5
119.03377	4.1
119.53053	0.4
123.00719	0.4
125.02332	5.9
126.02619	0.4
127.00207	0.3
131.03384	0.8
133.04933	0.8
133.75412	0.4
143.03409	2.3
161.04469	3.4
167.03419	0.6
167.10626	0.8
171.02843	0.3
179.05521	3.2
179.14368	0.6
194.51701	0.3
195.13817	8.0
196.14441	0.7
205.12291	0.7
205.15829	0.4
211.13292	0.5
217.07091	0.5
221.06561	0.9
223.13338	5.7
228.13579	0.7
231.21181	0.7
235.08179	7.2
253.09235	1.0
256.13092	1.3
263.07654	0.4
265.21680	0.5
275.20145	4.6
277.09079	0.4
279.23273	48.6
280.23611	3.8
287.07718	2.5
293.21204	100.0
294.21545	9.0
305.08664	2.7
313.96280	0.4
323.09760	1.1
379.12488	0.5
397.13461	74.0
398.13760	5.4
415.14557	24.6
415.18948	0.4
416.14594	1.7
497.45355	0.4
677.37592	3.9
678.37836	0.6
742.25299	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	975.5455
Annotation	Unknow
Peak:m/z	Relative Intensity
69.63087	2.7
78.95773	10.0
89.21313	0.4
98.20660	0.4
140.01103	2.3
152.99460	1.2
157.78928	0.4
165.16261	0.4
171.00517	0.6
196.03732	0.8
214.04831	3.5
278.79321	0.4
279.23276	100.0
280.23618	6.9
315.52225	0.5
338.12622	0.5
342.61484	0.4
476.27802	47.4
477.28046	4.8
515.18530	0.5
584.95679	0.4
673.65015	0.6
720.23340	0.5
911.56250	0.5
975.54517	5.9
976.54572	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	971.3554
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01255	2.9
71.50788	0.9
85.02830	0.8
87.00737	0.8
89.02314	3.0
93.03321	5.0
95.01276	0.8
95.04899	0.8
96.95940	0.6
101.02360	1.6
105.03336	0.5
108.02037	1.0
109.02859	2.1
113.02320	0.7
115.00265	0.7
119.03365	0.9
120.01170	0.7
121.02824	5.9
122.03622	15.1
123.00800	0.9
123.04415	1.5
123.26413	0.5
124.01604	0.6
125.02364	0.6
131.04784	0.5
132.02032	1.1
133.02858	2.8
134.03635	3.2
135.04402	1.1
136.01563	6.4
136.07570	0.7
137.02338	7.0
138.03091	0.7
139.00351	0.5
139.03902	0.7
145.02859	1.0
146.03651	2.0
147.04465	1.2
149.02338	36.7
149.05965	4.5
150.03120	100.0
151.00293	3.6
151.03926	16.9
152.01019	1.0
152.04587	1.5
153.01825	0.8
153.05418	0.7
161.02332	0.9
161.05984	1.2
162.03122	1.9
163.03941	0.8
164.04688	7.6
165.01779	1.9
165.05470	91.4
166.02618	7.9
166.05792	3.4
167.03377	1.7
175.02309	1.4
175.03925	1.4
177.01906	0.9
177.05475	3.5
177.84930	0.5
178.02654	0.8
178.05621	0.7
179.03456	2.0
179.05505	1.0
179.07033	7.8
180.04182	6.8
181.04974	10.9
184.03590	0.7
187.03967	0.7
190.06248	0.8
191.03352	0.6
192.04245	1.5
193.04933	1.6
194.05763	0.5
195.06543	37.7
196.06877	1.4
204.04099	0.6
205.05000	4.5
207.06525	1.3
219.06575	1.4
220.07367	3.5
225.07605	1.1
229.79213	0.5
315.08618	0.9
325.03586	0.8
326.37631	0.5
329.10239	1.5
339.08621	1.8
341.10294	0.6
353.02945	1.5
354.10959	1.1
355.11557	1.2
369.13477	3.5
372.12320	0.9
373.13171	0.7
386.13651	0.7
387.10541	1.3
387.14511	2.0
388.11282	0.7
402.13028	0.9
403.13824	0.7
417.15549	8.3
418.16074	0.7
421.15018	0.7
471.16187	0.6
504.37939	0.6
515.08356	0.6
535.15863	1.0
536.16339	0.6
549.17474	1.2
550.18268	1.5
551.18835	0.8
562.21783	0.8
564.19592	1.7
565.20667	22.0
566.20660	1.8
595.21497	3.4
608.34619	0.5
612.21906	0.8
613.22772	11.3
614.22870	1.4
619.21570	1.6
628.22888	0.5
667.23462	1.4
713.26007	15.1
714.25757	2.0
743.27191	8.6
744.26953	1.3
761.28101	19.0
762.28052	2.8
773.27386	2.0
791.16064	0.7
791.29156	6.3
792.28473	0.9
809.30170	23.2
810.30225	5.0
912.72827	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	971.3556
Annotation	Unknow
Peak:m/z	Relative Intensity
70.84011	1.5
71.01256	28.4
72.99193	3.5
73.02801	1.0
83.01266	1.4
85.02825	6.1
87.00762	3.6
89.02321	34.1
93.03340	4.2
95.01251	3.1
97.02809	0.5
101.02328	18.0
101.31410	0.4
107.04904	0.7
108.02042	1.7
108.90716	0.4
109.02869	2.6
110.64007	0.4
113.02338	12.7
113.03085	1.0
115.00259	0.5
117.03358	1.5
119.03391	16.6
119.04836	0.7
121.02850	6.2
122.03642	14.9
123.00769	0.6
123.04430	1.3
124.01591	0.9
125.02301	0.6
131.03395	2.2
133.02858	3.4
134.03656	1.7
135.04408	1.7
136.01572	17.5
137.02348	5.4
137.05983	0.5
138.03154	0.8
143.03397	3.8
145.02866	5.8
146.03639	5.0
147.04428	1.4
149.02356	26.4
149.04419	1.5
149.05995	1.8
150.03136	100.0
151.00337	3.9
151.03923	36.0
152.01083	0.8
152.04439	1.2
153.01822	1.6
153.05521	0.7
159.04369	0.7
161.02374	4.4
161.04482	4.4
161.05981	3.1
162.03139	30.4
163.03773	1.9
164.04716	5.3
165.01901	2.4
165.05487	90.9
166.02646	11.6
166.05798	4.2
167.03203	1.2
175.02422	0.6
175.03905	1.6
176.01074	0.5
177.01915	1.8
177.05498	17.3
178.02652	0.8
178.05867	0.9
179.03473	1.2
179.05521	12.3
179.07065	4.4
180.04208	7.9
181.04973	13.8
187.03925	1.1
190.06212	0.6
191.03423	1.2
192.04196	1.6
193.04921	0.8
194.05298	0.6
195.06564	57.8
196.06902	2.8
205.05057	2.9
207.06560	2.3
219.06592	1.6
220.07333	2.1
225.07599	1.2
309.07593	0.7
315.08762	0.9
325.03680	0.5
329.10263	0.8
357.12137	2.5
369.13480	0.9
371.11386	0.7
372.11874	1.4
373.12891	1.0
385.12827	0.5
387.10083	1.1
387.14859	3.8
401.83875	0.6
402.13394	1.1
403.13867	1.3
414.64871	0.5
417.10373	0.7
417.15546	9.0
418.15582	1.4
421.14697	1.3
505.16226	0.8
535.17603	2.1
549.17358	0.7
550.17780	0.6
563.18811	1.9
564.19720	1.4
565.20721	18.0
566.21136	2.5
577.20740	4.9
583.20404	1.2
595.21332	2.0
597.19336	0.6
612.21674	0.9
613.13220	0.6
613.22888	10.3
614.22986	1.3
667.23358	1.3
713.25732	1.1
725.14282	1.0
725.26074	14.8
726.26111	2.0
743.26563	1.3
755.25885	0.9
761.28009	7.5
762.28094	1.7
773.28119	7.8
774.27869	1.4
775.27710	1.4
791.28656	2.8
792.28082	0.8
809.30286	11.3
810.31116	2.4
923.33508	2.4
924.32953	0.8
953.34027	0.8
971.35358	3.9
972.35358	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	971.355
Annotation	Unknow
Peak:m/z	Relative Intensity
69.16038	2.3
69.16469	1.9
70.87196	0.4
71.01254	3.8
72.99172	0.5
76.82355	0.3
83.01231	0.3
85.02810	0.8
89.02309	3.9
93.03320	4.2
95.01265	0.5
95.04903	0.9
101.02328	2.2
105.03333	0.5
107.04913	0.4
108.02065	1.2
109.02853	2.1
113.02331	1.3
115.00275	0.6
119.03416	1.1
119.04896	0.4
120.01110	0.6
121.02834	7.4
122.03622	17.0
123.00766	0.8
123.04420	1.6
124.01573	0.7
125.02351	0.5
132.02048	1.3
133.02876	2.8
134.03642	3.2
135.04398	1.2
136.01552	6.7
137.02336	7.9
138.03195	0.5
139.00307	0.5
139.03833	0.6
141.01913	0.4
145.02823	1.0
146.03650	2.2
147.04391	0.9
149.02341	35.7
149.05975	5.0
150.03120	100.0
151.00313	2.2
151.03922	17.4
152.01041	1.3
152.04599	1.2
153.01854	1.0
153.05502	0.9
159.04446	0.6
161.02303	1.5
161.04575	0.5
161.05977	1.4
162.03145	2.8
163.03906	0.8
164.04694	7.3
165.01807	1.6
165.05473	89.5
166.01268	0.7
166.02632	7.7
166.05788	3.8
167.03371	1.4
170.36867	0.4
173.02478	0.3
175.02373	0.8
175.03873	1.0
176.04616	0.6
177.01837	0.8
177.05493	3.6
178.02618	0.9
179.03416	1.1
179.05550	1.0
179.07027	7.1
180.04205	7.0
181.04973	11.4
184.03700	1.0
187.03947	1.3
190.06261	0.7
191.03419	0.8
192.04118	0.6
193.04977	1.7
195.06541	41.0
196.06883	1.4
202.06215	0.5
204.04318	0.5
205.05014	3.6
206.05711	0.5
207.06567	1.3
219.06564	1.8
220.07375	3.0
221.08057	0.6
225.01845	0.4
225.07597	1.0
231.93167	0.4
283.09891	0.4
308.06927	0.5
309.07553	0.7
311.08939	0.7
314.08005	0.4
315.08734	0.9
323.09116	0.5
325.03394	0.7
325.06995	0.5
329.10239	1.6
339.08667	3.2
339.12338	0.6
353.02979	0.9
354.10965	1.2
355.11884	0.9
369.13406	7.1
370.13901	0.6
371.11093	0.9
373.12833	1.1
386.13504	0.6
387.10516	1.1
387.15002	2.0
402.13110	1.1
403.13895	0.8
415.55563	0.5
416.14685	1.1
417.15454	7.5
418.15558	0.8
471.16428	0.6
535.16156	1.7
547.18848	0.5
550.18317	1.8
551.18787	0.8
564.20172	2.4
565.20709	22.6
566.21179	2.4
595.21814	3.5
612.21851	1.2
613.22839	11.5
614.22961	1.6
619.21625	1.7
649.22437	0.7
667.23804	1.9
685.24762	0.5
713.25940	13.7
714.26898	2.1
725.26050	0.9
743.27014	8.3
744.27399	1.9
761.28009	18.0
762.28278	3.1
773.27753	1.9
774.28644	0.6
791.29132	5.9
792.29047	0.7
809.30237	22.6
810.30676	4.2
971.35455	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	969.5784
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99644	0.3
69.03313	1.5
71.01249	22.6
71.51254	0.3
71.60795	0.3
72.01583	0.4
72.99168	2.0
73.02810	3.7
75.00746	0.5
81.03337	1.5
83.01250	2.4
83.04900	0.4
83.57113	0.3
85.02818	5.5
87.00749	5.3
89.02313	20.3
91.03874	0.7
93.03350	0.4
95.01263	1.8
95.04890	1.1
97.02831	4.4
98.87011	0.3
99.00743	1.4
99.04397	0.4
101.02318	18.1
103.00240	0.4
105.22467	0.3
109.02808	0.4
109.06494	0.4
111.04388	0.7
111.08038	8.5
113.02325	9.3
115.03858	0.5
119.03379	6.8
121.02832	0.5
123.00676	0.3
125.02328	8.7
125.03254	0.4
127.03868	0.6
129.01807	0.3
131.03387	0.6
133.05002	0.6
137.09616	0.5
139.03847	0.6
141.01852	0.4
143.03413	3.7
143.04495	0.6
146.04671	0.3
149.02409	0.5
149.04460	0.7
149.09654	0.6
161.04456	4.7
167.03368	0.6
167.10719	1.6
169.04967	0.3
171.02753	0.3
177.12766	1.2
179.05510	4.4
179.10686	2.2
185.04398	0.5
193.15962	0.4
195.13818	6.2
196.14191	0.3
199.06004	0.6
203.05621	0.3
217.07085	0.8
221.06529	1.7
235.08170	10.7
236.08521	0.4
245.06599	0.5
247.20575	2.5
248.20906	0.3
253.09290	2.3
263.07620	0.9
273.18555	1.1
277.09161	0.5
279.23267	67.2
280.23611	5.7
287.07788	3.1
291.19638	77.9
292.20007	6.2
293.24820	0.5
305.08734	3.8
323.09717	1.4
379.12674	0.6
397.13452	100.0
398.13831	6.7
415.14523	34.8
416.14896	2.0
677.37396	4.1
678.37268	0.5
879.79517	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	969.4699
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03312	1.7
70.71709	3.3
70.72048	1.2
71.01250	52.9
71.44331	1.2
72.99160	3.6
73.02518	1.2
73.02824	13.4
83.01256	8.1
85.02816	33.3
87.00732	5.0
89.02321	7.8
93.47756	1.5
95.01247	6.7
96.95867	2.9
97.02808	5.3
99.00740	6.3
101.01710	2.4
101.02326	32.6
111.00745	2.3
112.01507	1.8
113.02318	31.5
116.92770	2.6
121.02797	1.4
124.01550	2.6
125.02364	6.4
129.01802	1.6
143.03349	3.6
150.03062	2.3
159.02843	1.5
161.04454	6.4
165.05463	3.1
184.22655	1.3
342.57611	1.5
473.36328	10.4
474.36798	1.6
595.94983	1.6
619.11267	1.7
731.43512	2.1
743.44269	2.3
761.44678	50.3
762.45007	12.4
779.45746	100.0
780.45972	15.2
797.46906	34.6
798.47791	6.6
821.46912	46.9
822.47888	8.6
839.47852	84.2
840.48138	16.8
881.49042	17.0
881.64630	2.7
882.49573	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	967.5632
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03320	0.4
70.39491	0.1
71.01253	7.3
72.99172	0.8
73.02805	0.8
81.03350	0.3
83.01256	0.5
83.04892	0.2
85.02822	2.1
87.00759	1.9
89.02316	5.3
95.01259	0.6
95.04902	0.2
96.95874	0.1
97.02823	1.0
97.06461	0.2
99.00751	0.5
101.02321	5.0
109.02800	0.1
111.00793	0.3
111.08033	0.5
113.02326	2.8
113.09582	0.3
115.43250	0.1
119.03378	1.4
125.02344	1.6
131.03328	0.2
141.09050	0.2
143.03426	1.0
161.04475	1.0
161.69069	0.1
167.10713	0.2
171.10146	0.2
177.12820	0.2
179.05544	1.8
179.14322	0.9
181.12277	0.3
183.51343	0.1
185.04611	0.2
193.59851	0.1
195.13832	6.9
196.14432	0.6
197.15375	0.2
205.12305	0.7
205.15912	0.4
211.13342	0.5
221.06586	0.7
223.13344	6.1
224.13890	0.3
225.14896	0.3
228.13580	0.8
229.26086	0.2
231.21092	0.4
235.08191	1.6
239.12946	0.2
249.11034	0.2
249.21999	0.2
253.09239	0.5
256.13156	1.4
263.07907	0.2
265.21719	0.4
274.82361	0.1
275.20145	5.2
276.20392	0.4
277.21582	0.2
287.07724	0.5
293.21216	100.0
294.21545	6.9
305.08755	0.6
317.21130	0.3
323.09836	0.4
379.12677	0.9
397.13492	14.9
398.13748	1.1
415.14557	10.0
415.22876	0.3
416.14835	0.6
491.92752	0.2
509.07578	0.1
569.42133	1.4
570.42694	0.3
654.27521	0.2
673.34320	0.9
674.34296	0.2
691.35480	2.2
692.36151	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	967.5631
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99681	0.3
69.03324	1.1
71.01254	23.3
71.50587	0.5
72.01579	0.3
72.99174	2.2
73.02813	3.9
75.00756	0.4
78.89256	0.2
81.03325	1.1
83.01260	3.6
83.04872	0.5
85.02827	5.7
87.00744	5.6
87.04303	0.3
89.02314	21.4
89.60425	0.3
91.03887	0.3
93.03323	0.4
93.85574	0.3
95.01266	1.5
97.02826	4.4
97.06445	0.5
99.00758	1.5
99.04405	0.5
101.02319	18.8
103.53632	0.2
105.79603	0.3
111.00755	0.5
111.04390	0.6
113.02326	9.8
115.03884	0.4
119.02587	0.5
119.03388	6.3
121.02860	0.4
122.67629	0.3
123.00772	0.3
125.02330	8.8
125.05946	0.3
126.02668	0.3
126.05573	0.3
127.03899	0.3
131.03365	0.8
133.04958	0.9
139.03932	0.6
141.01813	0.6
143.03397	4.0
148.08804	0.4
149.04434	0.8
150.10448	0.6
150.45529	0.3
151.11153	0.4
157.84645	0.3
161.03214	0.5
161.04459	4.8
163.11201	0.4
165.12769	9.3
166.13080	0.5
167.03410	0.5
169.05008	0.4
177.12823	0.3
179.05510	4.2
179.14474	0.3
185.04428	0.7
191.14316	0.5
199.06033	0.3
200.42427	0.3
217.07132	0.6
221.06570	1.7
233.22618	0.4
235.08200	10.8
245.06572	0.8
247.20610	5.7
248.20967	0.3
253.09262	2.1
259.20538	0.5
261.59879	0.2
263.07730	1.2
267.87195	0.2
273.18616	2.6
277.21710	59.3
278.21988	4.3
287.07709	3.5
291.19659	33.7
292.19962	2.9
304.72531	0.3
305.08780	4.6
323.09775	1.4
361.97470	0.3
379.12494	0.5
397.13480	100.0
398.13806	7.2
415.14569	34.6
416.14877	2.6
439.01300	0.3
513.14941	0.3
675.35730	3.7
676.35986	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	963.6859
Annotation	Unknow
Peak:m/z	Relative Intensity
68.51244	0.4
69.24812	0.4
71.01249	1.4
71.50606	0.4
78.05981	0.4
81.03326	8.1
83.04892	17.4
84.05232	0.6
85.02788	0.4
98.57674	0.5
101.02304	0.5
108.04441	0.7
112.58295	0.5
113.02315	0.5
115.00203	0.5
115.82366	0.4
124.31703	0.5
125.07106	1.1
135.12962	0.4
149.02296	0.6
165.05455	0.8
175.02371	1.3
197.02051	0.4
198.25772	0.5
207.14943	1.1
224.17534	2.9
225.16029	10.7
227.12956	0.5
242.18855	0.6
251.23180	0.6
285.03888	0.6
291.21460	0.4
297.03983	0.6
299.05304	0.7
309.21967	0.9
311.05551	0.8
312.06003	0.5
333.22818	0.6
337.03787	0.6
341.29257	0.8
357.05997	0.6
367.27026	1.4
409.05505	0.7
411.07245	0.7
431.09763	1.1
433.31821	1.5
450.34204	1.0
451.32867	7.9
452.33347	1.0
550.43970	0.6
567.46136	1.0
573.12482	1.6
677.49457	2.7
776.60480	0.6
885.66742	0.6
903.66461	100.0
904.66754	28.2
904.85107	0.6
917.17078	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	966.6598
Annotation	Unknow
Peak:m/z	Relative Intensity
70.83061	5.0
81.03313	2.3
83.04896	6.4
84.05238	2.0
96.95865	1.8
157.85175	1.8
210.69316	1.5
224.17476	1.9
225.15981	3.3
226.16310	2.0
346.06796	1.7
553.09833	1.6
904.66608	3.9
905.66852	14.1
906.49878	2.4
906.67468	38.8
907.67596	1.8
966.65991	100.0
967.66388	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	963.3134
Annotation	Unknow
Peak:m/z	Relative Intensity
69.54098	1.5
71.01248	1.3
73.02808	0.7
79.76978	0.2
83.01252	0.2
85.02826	0.5
89.02300	0.2
101.02327	0.6
107.01248	0.3
109.02843	0.6
113.02369	0.2
115.00204	0.2
119.04861	0.2
120.67796	0.2
125.02324	0.4
131.01265	0.3
132.02034	0.2
133.02835	6.7
134.03366	0.2
135.04427	0.6
147.04428	0.2
148.79771	0.2
149.02377	0.9
150.03108	0.8
151.00333	0.2
151.03918	0.3
152.80939	0.2
161.02371	0.5
163.00278	0.7
163.03928	1.0
164.04605	0.2
165.01830	0.6
165.05437	0.6
173.02370	0.7
175.00264	1.8
175.02574	0.3
175.03908	1.3
177.01923	0.4
179.10707	0.4
181.04941	0.2
189.01926	0.2
191.03423	0.8
193.01360	0.7
195.06544	0.5
199.03928	0.5
201.01907	0.6
211.03984	0.2
213.05580	0.4
224.35352	0.2
225.05545	0.5
229.05067	0.2
237.05586	0.3
239.03600	0.3
240.04221	0.4
241.05141	0.5
253.05016	0.7
255.02953	0.5
255.06485	0.3
262.60538	0.2
263.03711	0.2
264.04437	0.2
265.04941	0.9
267.03006	1.0
268.03607	0.3
269.04538	1.8
270.05188	0.2
279.43506	0.2
281.04474	0.5
282.05392	0.2
284.03229	3.7
285.04016	4.1
286.04279	0.3
297.04019	8.3
298.04782	7.8
299.05585	8.4
300.05927	0.5
301.03491	0.2
309.04025	27.2
310.04330	1.9
311.05627	1.3
312.05988	0.2
324.02673	0.3
325.03677	0.3
326.03876	0.5
327.05078	45.2
328.05429	3.6
339.05093	1.6
341.06454	0.4
351.05026	0.3
354.56705	0.2
357.06128	16.2
358.06454	1.4
367.04440	0.3
369.06055	1.4
377.06461	0.3
381.09897	0.2
385.14972	0.8
395.07730	0.6
411.07153	0.5
411.14368	0.7
413.08746	9.8
414.09097	0.9
473.10876	5.9
474.10968	0.4
561.12756	0.2
575.13910	1.1
576.14423	0.9
577.15564	100.0
578.15955	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	963.2407
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01253	0.7
71.04031	0.2
73.02827	0.2
73.68333	0.1
79.01774	0.1
93.03365	0.2
107.01284	0.2
107.04932	0.2
109.02830	1.2
119.04922	0.2
121.02834	0.2
133.02847	4.6
133.03842	0.3
133.06459	0.2
134.03601	0.5
135.04424	0.5
137.02336	0.2
146.03682	0.1
147.04370	0.2
149.02351	0.4
149.05974	0.3
151.03864	0.7
159.04410	0.2
161.02367	0.5
162.03198	0.2
163.00333	0.2
163.03915	0.5
165.01778	0.2
165.05559	0.1
173.02382	0.1
173.05981	0.1
174.03186	0.2
175.03905	1.6
176.01160	0.2
177.01862	1.1
177.05492	0.6
179.03432	0.3
187.03929	0.2
189.01773	0.2
189.05511	0.4
190.02580	0.2
191.03421	0.6
199.03848	0.2
199.13052	0.1
201.01901	0.6
203.03343	1.0
205.01309	0.4
205.05008	0.5
207.02866	0.2
213.05530	0.5
215.03461	0.3
217.04974	0.4
219.02896	0.2
225.05582	0.2
227.03462	0.3
227.07079	0.2
228.04201	0.2
230.40363	0.1
231.06537	0.2
233.04488	0.4
235.02432	0.2
238.06375	0.2
239.07114	0.3
241.05016	0.4
241.08539	0.2
244.52345	0.1
245.04538	0.5
253.04953	0.3
254.05785	0.4
255.02937	0.3
255.06573	0.4
256.07101	0.1
257.04651	0.2
263.05731	0.2
265.05182	0.2
267.06558	0.6
269.04556	0.3
269.07996	0.1
270.05234	0.2
279.06610	0.2
281.04407	0.3
282.05234	0.2
283.05969	0.7
284.03348	0.4
284.06451	0.2
285.03918	0.3
285.07571	0.2
293.04660	0.3
294.04904	0.1
295.06015	0.4
297.04037	1.8
298.04788	4.7
299.05542	2.2
300.05984	0.2
309.03992	0.9
309.07379	0.1
310.04773	0.6
311.05591	4.3
312.06351	5.4
313.07147	5.3
314.07474	0.3
321.04150	0.2
323.05533	1.1
323.09088	0.2
324.06326	0.2
325.03607	0.3
325.07162	1.0
327.05066	3.4
328.05310	0.2
330.03867	0.3
337.03644	0.2
338.04279	0.3
339.05054	7.3
340.05505	0.6
341.06650	3.2
342.07156	0.4
344.05316	0.6
351.05090	0.6
353.06674	2.3
356.05118	0.1
357.06143	1.0
363.05127	0.2
365.06750	0.2
367.04517	0.5
369.06128	25.6
370.06461	2.4
371.07605	0.6
377.06363	0.2
381.06134	3.9
382.06876	0.2
383.07755	0.7
395.07886	0.7
397.05548	0.2
399.07181	26.8
400.07541	2.6
405.06030	0.3
411.07181	2.5
412.07397	0.3
413.08868	0.5
423.06973	0.9
429.08215	4.6
430.08627	0.5
435.06891	0.2
437.08920	0.2
441.08261	4.0
442.08493	0.4
453.08368	0.2
459.09317	9.1
460.09735	0.8
468.66342	0.1
471.09354	1.1
473.10849	2.3
474.11307	0.3
485.10812	0.3
489.10413	1.1
503.11847	1.2
545.13116	0.9
563.14026	100.0
564.14349	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	961.537
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03307	1.1
70.71938	0.5
71.01246	14.7
71.51565	0.7
72.99186	1.6
73.02814	2.8
74.69587	0.6
75.00708	0.8
81.03324	0.9
82.70208	0.6
83.01254	1.4
85.02826	3.5
87.00752	4.9
89.02310	11.7
95.01289	0.8
97.02822	2.6
99.00722	1.0
101.01709	1.0
101.02315	11.5
111.04304	0.6
113.02332	7.0
119.03382	3.4
125.02348	6.9
141.01659	0.9
143.03348	1.7
161.04462	3.3
175.02324	0.7
179.05478	4.4
183.13797	6.9
193.12247	1.7
211.13324	100.0
212.13611	4.3
221.06593	1.5
235.08185	4.9
259.08099	0.6
277.21707	49.2
278.22000	3.2
287.07623	1.6
305.08801	1.9
313.67822	0.7
323.09836	1.6
379.12448	11.3
397.13470	38.5
398.13858	1.6
415.14612	5.8
416.14896	0.6
543.33655	0.5
591.26538	10.4
592.27197	1.1
609.27600	9.0
610.28577	1.2
657.34729	2.4
668.70117	0.6
675.35913	3.4
869.48932	2.0
961.53705	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	961.5373
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03306	1.3
70.20712	2.0
71.01247	15.6
72.99168	1.9
73.02824	2.6
75.00738	0.6
80.96381	0.9
81.03316	1.1
83.01251	1.7
83.04892	0.5
85.02806	3.9
85.17870	0.5
87.00737	3.6
89.02316	15.4
95.01243	1.7
96.95186	0.5
97.02827	2.0
99.00763	1.2
101.02318	13.2
113.02327	7.5
119.03371	3.9
122.35741	0.5
125.02332	5.3
139.03891	0.4
143.03380	2.2
161.04453	4.2
163.23860	0.5
164.54170	0.4
167.14268	0.9
175.02252	0.7
179.05493	3.3
183.13812	7.2
193.12198	1.7
211.13326	100.0
212.13670	5.4
214.31432	0.5
217.07080	0.7
221.06595	2.0
235.08203	5.1
250.40483	0.5
253.09227	0.9
259.08167	1.1
277.21707	60.0
278.22083	4.8
287.07755	1.9
288.61575	0.5
301.09088	0.7
305.08774	2.0
319.22736	0.9
323.09747	1.5
379.12436	14.0
380.12589	1.1
397.13467	44.2
398.13818	2.2
415.14517	8.3
591.26526	8.2
592.26605	0.6
609.27783	5.8
632.50177	0.6
657.34497	2.4
675.35883	5.4
676.36255	0.9
869.49115	1.5
925.57178	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	960.2399
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01250	2.3
71.50230	0.8
84.68015	0.5
85.02804	1.1
89.02286	1.3
97.13020	0.6
101.02292	0.7
109.02855	2.0
121.02831	1.0
125.02412	0.7
133.02834	10.4
134.03604	1.1
135.04376	2.1
147.04413	0.8
149.02327	2.2
150.03090	1.4
151.00262	0.7
151.03938	0.9
161.02373	1.2
161.05933	0.7
163.03900	1.2
165.05470	1.6
173.02370	0.7
175.02516	0.8
175.03894	3.5
177.01820	2.7
177.05406	0.9
179.03458	1.0
179.05269	0.5
187.03969	0.8
189.01802	1.2
189.05478	0.9
191.03383	1.4
193.01370	1.1
195.06393	0.9
201.01877	2.0
203.03394	2.5
205.01349	1.7
211.03828	1.1
213.05441	0.9
215.03416	0.8
219.03020	1.3
231.02902	0.6
231.06682	0.7
239.06966	0.9
241.05019	1.0
243.02844	0.8
249.03865	0.8
253.05026	0.6
255.06329	0.9
261.03891	1.1
267.06546	1.5
269.04443	0.9
281.04376	0.8
283.05936	0.9
284.03296	5.3
285.04025	14.0
286.04367	1.4
293.04370	0.8
295.06226	1.0
297.04001	3.7
298.04794	8.6
299.05624	7.8
309.03934	2.0
310.04541	0.9
311.05566	11.1
312.06299	10.5
313.07050	6.8
323.05615	3.1
325.03516	1.0
325.07037	1.4
327.05093	12.8
328.05444	1.6
330.03799	0.7
337.03506	0.7
338.04449	1.0
339.01123	0.9
339.05096	16.2
340.05475	1.0
341.06638	6.4
344.05273	0.9
351.05179	1.5
353.02866	0.9
353.06628	4.6
354.07114	1.1
355.04501	6.9
356.05127	0.7
357.06042	4.5
358.06223	0.7
367.04483	11.0
368.04950	1.0
369.06131	31.1
370.06271	2.0
371.07657	1.3
379.04135	1.1
381.06052	3.3
382.18698	0.6
385.05615	13.3
386.05975	0.7
397.05499	4.3
398.05759	1.1
399.07144	18.5
400.07394	0.8
411.06924	1.5
415.06577	10.8
416.11151	1.2
417.07895	0.7
423.07300	0.9
427.06671	1.2
429.08197	2.5
439.06488	0.7
441.08221	1.7
445.07816	1.4
447.09509	0.8
453.08118	3.4
457.07513	5.9
458.08344	0.8
459.09351	9.8
471.09186	5.1
472.09445	1.0
475.08783	36.4
476.09033	3.5
483.09500	1.0
489.10449	4.3
519.11688	1.1
543.11505	9.6
544.11542	1.0
561.12439	76.1
562.12909	7.4
563.14032	1.4
577.15430	5.4
578.15924	6.9
579.13519	100.0
580.13928	10.6
748.10669	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	958.2621
Annotation	Unknow
Peak:m/z	Relative Intensity
69.78983	2.2
71.01238	0.8
83.01279	0.6
91.81863	0.4
96.64886	0.5
98.20500	0.6
101.02380	0.6
109.02821	1.3
133.02834	6.1
135.04408	1.0
147.04453	0.5
149.02318	0.7
151.03943	0.7
161.02371	0.7
163.03992	0.5
168.27841	0.5
175.03970	1.1
177.01797	0.9
177.05334	0.6
179.03465	0.5
191.03400	0.9
199.04030	0.5
201.01875	1.1
203.03476	1.0
205.01288	0.6
213.05588	0.5
219.02904	0.8
233.04353	0.7
239.07071	0.7
267.06601	1.1
283.05930	0.8
285.03912	0.6
293.04349	0.5
295.06165	1.6
297.04053	2.6
297.06897	0.5
298.04791	3.9
299.05548	4.2
309.04056	0.9
310.04773	1.1
311.05524	4.3
312.06342	5.4
313.07086	4.2
323.05548	1.2
325.07077	1.4
327.05038	6.1
328.05588	0.6
337.03427	0.7
337.07086	0.5
338.04315	0.9
339.05075	10.2
340.05402	0.5
341.06583	2.7
344.05139	0.9
351.04953	1.3
353.06573	2.9
355.04584	1.3
357.06210	2.5
367.04538	3.9
368.05014	0.5
369.06134	21.0
370.06421	1.7
371.07730	1.4
379.17584	0.7
380.18073	0.6
381.05902	2.4
382.06000	0.5
385.00845	0.9
385.05606	11.5
386.06024	1.0
395.08093	0.6
397.05652	3.9
399.07172	15.2
400.07458	1.5
411.07346	1.5
413.09161	0.6
415.06360	10.0
416.06876	1.6
417.08221	1.3
423.06879	0.6
427.06744	1.3
429.08151	1.5
439.06409	0.6
441.08231	2.4
445.07486	0.9
452.89621	0.5
457.07758	4.4
458.07886	0.7
459.09293	11.9
460.09491	1.4
471.09616	0.7
475.08810	33.3
476.09143	3.6
510.29800	0.5
543.11578	4.4
544.12006	0.5
561.12457	100.0
562.12836	13.7
569.39917	0.5
588.13593	6.6
589.13873	1.0
599.14563	0.5
720.47693	0.5
747.37665	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	957.4454
Annotation	Unknow
Peak:m/z	Relative Intensity
69.36441	7.0
71.01244	6.6
72.99155	4.5
73.02824	1.0
75.00743	1.8
78.95784	0.8
83.01265	1.9
84.02052	0.8
85.02818	1.1
87.00735	7.2
88.98659	3.2
93.03312	1.6
93.47770	0.8
95.04921	1.9
98.20569	1.4
99.00743	4.2
107.04882	1.4
108.01996	1.0
109.06504	1.1
111.00748	3.2
111.08030	1.3
112.98696	6.6
113.99457	1.4
115.00253	29.8
119.04872	1.3
121.02831	1.8
121.06474	0.8
129.01813	0.9
135.02895	3.7
135.04373	1.1
139.00246	1.3
139.07553	1.5
142.02191	0.8
142.99773	5.3
145.01334	1.2
145.02988	1.0
147.04398	2.5
149.02319	1.9
149.06049	0.9
149.09633	1.0
150.02948	1.5
151.07599	0.9
153.09151	1.2
157.01346	3.5
161.05927	0.9
161.13316	1.1
163.03900	2.2
163.07564	1.0
163.11188	7.8
165.12680	1.2
173.00818	1.5
174.01596	6.6
175.02385	22.9
176.02820	0.9
177.12788	0.8
181.08665	0.8
181.12274	1.5
189.01730	1.6
189.09016	1.5
201.08867	3.0
203.10501	4.1
217.08318	1.4
221.11589	1.1
223.13016	3.9
229.12109	1.9
229.19534	0.9
231.09970	100.0
232.10306	4.3
233.07849	1.8
233.11533	16.0
235.09435	2.4
245.11552	1.6
247.09445	1.2
247.13081	3.2
247.20615	3.3
249.11050	3.2
252.06158	0.8
255.76773	0.9
257.11508	1.2
259.13049	1.2
261.10974	1.3
267.12079	3.0
270.12479	1.7
273.10910	1.1
275.12445	1.0
285.11047	1.9
285.18484	1.3
286.12000	1.1
287.12839	1.0
287.20251	0.8
288.13339	2.6
297.18375	1.5
298.11743	1.6
298.19354	0.8
299.12677	0.9
299.19803	1.8
301.10583	1.5
313.18005	3.3
315.19379	79.9
316.19754	5.6
327.19394	3.7
328.12659	1.3
329.20944	4.3
330.10767	1.9
331.19086	4.5
333.19122	3.8
335.16168	1.6
337.17780	1.7
339.19342	3.5
342.10870	0.9
343.18860	46.9
344.19113	2.6
345.20685	1.6
349.17371	1.8
349.20926	1.1
353.17349	4.0
353.20947	0.9
354.10843	1.7
355.18954	4.3
357.20447	1.5
365.17172	4.1
367.18854	10.7
368.19400	1.0
369.16779	3.5
371.18378	31.1
372.18564	1.8
379.18774	1.0
381.16760	20.9
382.17294	2.1
383.18365	24.0
384.18536	1.8
385.19940	5.3
389.19318	2.5
393.16843	3.7
397.20010	5.5
399.17822	2.7
401.18982	2.4
402.12820	2.8
407.18646	1.5
409.19946	1.3
411.17841	30.6
412.18030	2.2
413.19476	2.3
415.21011	1.4
423.17801	3.6
427.20932	4.2
429.18839	54.9
430.19092	3.5
431.20700	5.7
441.18835	2.5
449.21735	2.3
453.18604	5.1
471.19952	82.3
472.20374	7.5
488.69699	1.1
489.20755	14.0
490.20517	1.4
492.45914	0.9
778.60291	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	957.4452
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03323	0.8
71.01257	7.0
71.50346	0.8
71.50703	0.7
72.99174	3.9
75.00740	1.4
78.95759	0.9
80.02545	1.2
81.81913	0.7
83.01262	1.5
85.02821	0.9
87.00751	8.5
88.98682	1.6
93.03316	1.4
95.04897	2.5
99.00739	4.0
101.02251	0.8
109.06481	0.9
111.00757	3.1
111.08033	1.5
112.98672	7.6
113.02322	0.7
113.99480	1.0
115.00255	33.3
115.01073	1.6
116.00630	0.8
116.34658	0.6
119.04934	1.3
121.02818	0.9
121.25011	0.7
123.08006	1.0
125.02346	0.7
127.00125	0.6
129.01855	1.2
135.02870	1.2
135.04414	1.0
137.02335	0.9
142.99770	6.0
145.01328	2.2
147.04404	1.0
157.01308	1.3
161.05994	0.9
163.03857	1.0
163.07607	0.9
163.11192	4.1
165.12698	1.1
173.00845	1.9
174.01619	9.9
175.02402	27.9
175.03949	1.6
176.61855	0.7
201.08995	0.9
203.10474	2.3
217.08485	0.8
221.11539	1.1
223.13139	1.9
228.11305	0.6
229.12094	1.9
231.09975	66.3
232.10315	3.3
233.07880	1.5
233.11537	11.6
234.11845	1.1
235.09456	1.6
235.13121	1.1
243.09985	0.7
245.11469	1.0
246.12350	0.9
247.13129	3.6
247.20601	3.0
249.11072	3.3
257.11505	1.5
259.13184	1.1
261.10913	1.1
265.10522	1.1
267.12183	4.0
275.12576	0.9
285.11130	0.9
287.20218	0.7
288.13458	1.8
295.10519	1.1
297.18512	1.7
298.11838	1.9
299.12616	1.0
299.20059	0.8
301.10269	0.8
305.21216	0.9
313.17877	3.5
314.11203	1.0
315.19385	100.0
316.19678	7.8
325.17889	0.9
327.19443	1.4
329.17612	0.9
329.21005	5.7
330.10651	2.0
331.17593	3.9
333.19241	5.2
334.19385	0.8
339.19379	2.1
341.17157	1.3
343.18884	37.4
344.19266	3.1
345.20468	1.2
349.20367	1.0
353.17151	3.5
355.18890	3.0
357.20483	2.3
365.17355	1.6
367.18777	6.8
369.16809	2.7
371.18359	18.0
372.18683	1.5
381.16837	6.1
383.18259	5.9
385.19864	5.9
389.19531	2.7
397.19977	2.5
399.17749	2.3
401.19351	3.1
409.19809	1.5
411.17941	11.6
412.18018	0.9
413.19675	2.1
423.18024	1.5
427.20831	1.6
429.18845	55.7
430.19220	6.9
431.20636	2.7
445.21893	0.9
449.21539	2.3
471.19986	15.4
472.20160	1.6
489.20865	16.8
490.20630	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	951.568
Annotation	Unknow
Peak:m/z	Relative Intensity
66.91940	0.5
69.03323	1.3
70.25919	1.4
71.01251	15.6
72.99165	0.8
73.02823	1.4
73.07192	0.6
81.03316	1.3
83.01247	1.7
85.02812	3.8
87.00755	4.0
89.02312	14.2
95.01254	1.1
97.02827	2.7
99.00765	0.8
101.02328	11.9
105.46923	0.6
113.02322	6.4
119.03387	3.5
125.02341	5.3
143.03389	2.5
155.76582	0.5
161.04442	3.5
179.05533	2.5
179.14352	0.9
183.10283	0.7
195.13829	6.0
196.14398	0.9
205.12222	0.9
211.13301	0.9
221.06676	1.4
223.13371	4.6
228.13693	0.8
235.08202	5.0
253.09212	1.3
256.13196	1.2
275.20157	5.2
276.20395	0.6
277.21710	45.1
278.22067	4.7
287.07703	1.4
293.21219	100.0
294.21594	7.2
305.08859	1.5
323.09833	1.1
379.12360	3.7
397.13470	38.8
398.13809	3.2
415.14587	11.5
434.32291	0.6
466.40906	0.6
519.81616	0.6
650.35699	0.6
675.36188	1.3
691.35699	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	954.584
Annotation	Unknow
Peak:m/z	Relative Intensity
71.17216	0.2
71.17570	0.1
78.95774	51.4
87.36240	0.1
96.96839	6.4
126.32324	0.1
143.86237	0.1
150.97914	2.1
152.99486	100.0
153.99858	1.3
171.00554	4.3
215.87146	0.1
224.39633	0.1
279.23282	0.7
347.04535	0.1
371.60464	0.1
433.23566	35.2
434.23920	3.0
475.86197	0.1
620.50244	0.1
644.06708	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	951.4391
Annotation	Unknow
Peak:m/z	Relative Intensity
70.17774	1.0
70.18168	0.9
73.02791	0.5
104.27896	0.4
111.07095	0.4
177.81857	0.4
291.19644	0.6
323.22229	1.6
372.45285	0.4
399.24283	0.3
451.14017	0.6
452.14850	1.3
470.11966	0.5
481.14944	4.6
482.15350	0.6
484.13849	0.6
493.15054	0.8
495.16708	9.1
496.16666	1.7
508.17642	0.9
509.18170	0.8
512.12689	0.8
521.14465	0.5
523.19946	0.6
535.16229	1.3
536.16608	1.9
540.16882	2.1
551.19366	25.6
552.19690	6.1
554.18970	0.5
555.18817	0.5
568.18677	0.5
572.15601	2.6
586.16797	2.5
587.17096	0.9
595.18506	2.2
596.18524	0.7
627.20935	100.0
628.21185	20.7
904.37640	0.5
951.44531	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	949.6096
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03317	0.7
70.84171	0.5
71.01251	13.6
72.01577	0.2
72.56007	0.2
72.99174	1.1
73.02817	2.1
75.00746	0.5
81.03326	0.5
83.01247	1.6
83.04887	0.2
83.94006	0.2
85.02815	3.2
85.99960	0.2
87.00738	3.3
87.01218	0.3
89.02314	12.3
91.03895	0.3
92.01232	0.2
93.03363	0.2
95.01258	1.1
97.02273	0.2
97.02841	2.3
99.00764	1.0
99.08047	0.2
101.02316	11.5
101.89188	0.2
109.02835	0.4
111.04384	0.5
113.02332	5.2
113.09599	1.4
115.03895	0.4
119.03380	3.7
121.02780	0.2
125.02335	5.2
131.03381	0.3
133.04929	0.4
139.03876	0.6
141.01819	0.2
143.03403	2.2
149.04436	0.2
161.04469	2.5
167.03397	0.2
169.04959	0.3
177.12755	0.2
179.05528	2.5
179.14340	0.7
181.12273	0.4
185.04523	0.4
195.13828	12.7
196.14198	0.8
199.06154	0.2
217.07124	0.5
221.06647	1.2
235.08179	6.0
236.08505	0.3
245.06668	0.3
251.23680	0.3
253.09229	1.0
255.23260	34.3
256.23584	2.3
259.20499	0.2
263.07596	0.3
269.24939	0.3
277.09305	0.3
277.21704	12.5
278.22009	1.1
287.07794	2.0
293.21213	0.2
295.22757	100.0
296.23096	9.3
305.08813	2.7
316.06894	0.2
323.09778	0.7
361.11243	0.2
365.87140	0.2
379.12561	0.4
397.13467	65.7
398.13788	4.6
399.13690	0.2
415.14539	19.7
416.14816	1.6
653.37488	6.0
654.37805	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	949.5651
Annotation	Unknow
Peak:m/z	Relative Intensity
71.17445	0.4
78.95774	52.1
96.96263	0.7
96.96846	5.7
97.02676	0.4
141.11696	0.4
150.97906	1.6
152.99487	100.0
153.99841	0.9
171.00580	4.1
193.98584	0.4
217.86447	0.4
224.24289	0.4
272.94098	0.9
279.23477	0.9
318.05652	0.4
381.23990	0.4
433.23590	37.3
434.23721	3.1
535.16315	0.5
939.28461	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	949.5656
Annotation	Unknow
Peak:m/z	Relative Intensity
71.51582	0.3
78.95773	55.4
80.52430	0.2
87.81216	0.2
87.85501	0.2
93.62879	0.2
96.96833	7.0
150.97934	2.1
152.99483	100.0
153.99870	1.3
171.00545	4.5
215.65443	0.2
279.23215	0.8
414.75180	0.3
433.23569	36.4
434.23932	4.1
732.46771	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	949.3865
Annotation	Unknow
Peak:m/z	Relative Intensity
66.41814	0.6
66.70914	0.7
71.31317	1.5
71.37801	0.7
73.03201	0.7
93.03340	4.4
95.01296	0.8
108.02048	1.8
109.02868	3.3
111.27489	0.7
118.53225	0.7
121.02843	15.0
122.03633	17.4
123.04408	3.3
124.01614	0.8
132.02069	1.6
133.02843	7.3
134.03641	7.4
135.04424	2.7
136.01529	4.8
137.02332	2.6
145.02852	5.0
146.03651	4.8
147.04411	8.4
148.01553	0.7
149.02347	34.5
149.05988	8.0
150.03125	100.0
151.03883	5.4
154.02650	1.8
161.02325	1.7
161.06023	2.8
162.03140	3.1
163.03851	1.3
164.04694	8.8
165.05475	86.0
166.05849	4.4
175.03941	2.7
175.07568	0.7
177.05493	2.2
179.05594	1.1
179.07014	5.1
180.04225	5.8
181.04866	1.0
195.06540	25.5
196.06894	1.2
249.05524	0.9
269.08163	1.1
270.09006	1.1
283.06384	0.8
285.11288	0.9
298.08255	0.8
299.13055	1.0
313.10913	3.0
315.12433	1.5
329.14047	1.8
343.11859	10.8
344.12039	1.0
346.14087	3.8
347.14951	5.6
361.16544	25.3
362.16943	2.0
373.12866	3.4
391.14041	2.3
415.17557	3.7
477.18945	0.9
509.21719	29.8
510.21924	4.9
521.21783	2.8
539.22919	6.6
557.23871	9.2
558.24524	1.6
611.25262	1.7
657.27161	4.8
658.27570	0.9
687.28815	3.5
688.28412	1.0
705.29041	8.9
706.29437	1.8
717.29053	1.4
735.30225	3.1
753.31677	2.5
759.29865	1.5
770.20520	0.8
853.34045	5.3
854.34167	1.1
865.33887	1.0
883.34930	3.9
884.35278	1.1
901.36041	3.4
902.36627	0.8
931.38318	1.2
949.38293	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	949.2976
Annotation	Unknow
Peak:m/z	Relative Intensity
69.77558	0.4
69.77990	0.4
71.01248	0.6
73.02815	0.2
75.00667	0.1
81.24318	0.1
81.72231	0.1
83.01280	0.3
85.02793	0.1
87.00744	0.2
90.54039	0.2
100.59489	0.1
101.02344	0.1
107.04882	0.2
109.02823	1.5
111.00793	0.2
111.04365	0.2
115.76908	0.1
117.03374	0.1
119.04878	0.2
121.02809	0.1
123.04413	0.3
125.02333	0.2
131.04900	0.2
132.02046	0.2
133.02849	5.3
133.06541	0.2
134.03610	0.4
135.04408	0.8
137.02354	0.2
147.04416	0.4
149.02364	0.6
149.05978	0.3
150.03151	0.2
151.03943	0.8
159.04445	0.2
161.02318	0.7
161.05957	0.3
163.03951	0.6
165.01894	0.2
165.05476	0.2
167.03339	0.2
173.02347	0.3
173.06075	0.1
175.03912	1.4
177.01825	1.0
177.05486	0.6
179.03401	0.5
179.10661	0.4
187.03893	0.3
189.01909	0.2
189.05461	0.4
190.02657	0.3
191.03416	0.6
199.03925	0.4
201.01903	0.5
201.05511	0.3
203.03447	0.9
204.04156	0.2
205.01382	0.5
205.05008	0.5
211.03931	0.2
213.05414	0.7
215.03482	0.3
217.04980	0.4
219.02931	0.2
221.04503	0.2
225.05531	0.3
226.06268	0.2
227.03500	0.4
229.05022	0.3
231.02795	0.2
231.06676	0.2
233.04453	0.4
235.02382	0.3
237.05403	0.2
238.06161	0.2
239.07079	0.3
240.04332	0.2
241.05026	0.4
243.02847	0.2
245.04579	0.7
249.05429	0.1
253.05113	0.3
253.08511	0.2
254.05791	0.3
255.06602	0.3
256.03772	0.3
257.04593	0.2
265.04990	0.2
266.06046	0.2
267.06561	0.5
269.04471	0.3
269.08124	0.2
270.05325	0.2
271.02469	0.2
281.04501	0.3
282.05389	0.2
283.06055	0.9
284.03461	0.3
284.06723	0.3
285.03925	0.3
293.04407	0.2
295.06110	0.4
297.04062	1.8
297.07352	0.2
298.04791	5.2
299.05573	2.2
300.05978	0.2
309.04031	0.9
309.07202	0.2
310.04810	0.7
311.05624	4.7
312.06323	6.0
313.03452	0.3
313.07123	5.7
314.07660	0.4
321.03976	0.2
323.05634	1.4
324.06189	0.2
325.03638	0.2
325.07184	1.1
327.05081	4.0
328.05518	0.4
330.03873	0.2
337.03476	0.2
338.04193	0.2
339.05057	7.8
340.05307	0.8
341.06668	3.7
342.06958	0.4
344.05365	1.0
351.05029	0.9
352.05746	0.3
353.06689	2.3
354.07108	0.2
355.04395	0.2
357.06100	1.2
363.05157	0.2
365.06555	0.3
367.04468	0.6
368.05212	0.2
369.06131	31.5
370.06497	3.0
371.07693	0.5
377.06647	0.2
379.08517	0.2
381.06140	4.9
382.06796	0.4
383.07758	0.5
385.14929	1.1
393.06052	0.3
395.07648	0.7
397.05722	0.4
399.07196	32.8
400.07550	3.0
405.05997	0.2
411.07156	3.5
412.07562	0.3
413.08694	0.6
419.07480	0.2
423.07187	1.3
424.07565	0.3
425.08786	0.3
429.08197	6.2
430.08508	0.7
437.09021	0.2
441.08240	4.9
442.08548	0.5
443.09805	0.2
449.08032	0.1
453.08298	0.3
459.09268	8.4
460.09830	0.8
471.09232	0.9
473.10876	2.5
474.11179	0.3
485.10883	0.3
489.10306	1.3
503.12009	1.1
545.13251	1.1
546.13788	0.2
563.14038	100.0
564.14374	11.8
565.14319	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	949.2613
Annotation	Unknow
Peak:m/z	Relative Intensity
66.34882	0.5
67.34245	0.5
69.26893	5.3
71.01247	0.6
81.47701	0.6
109.02880	0.8
120.99853	0.7
133.02837	2.9
134.03683	0.6
163.03889	0.7
177.01891	0.8
179.83179	0.6
187.03958	0.7
189.40488	0.5
196.61150	0.7
203.03384	0.8
231.75056	0.6
250.64032	0.6
278.26871	0.6
283.05899	0.8
297.04111	1.7
298.04688	3.1
299.05527	1.7
309.04120	0.8
311.05637	3.7
312.06464	3.2
313.03665	1.1
313.06879	4.2
327.05096	3.2
339.05035	4.7
340.05371	0.9
341.06665	2.4
353.06451	1.4
369.06100	19.2
370.06390	2.1
381.06174	3.5
399.07184	16.8
400.07535	1.3
411.07281	2.2
429.08301	2.8
431.09824	1.3
441.08090	0.7
471.09140	1.6
473.10724	2.1
489.10434	5.3
503.11774	1.0
504.65121	0.6
519.11151	1.1
568.11169	0.7
575.13879	1.3
576.17438	0.6
591.13721	1.4
593.15088	100.0
594.15320	10.4
971.89752	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	947.6099
Annotation	Unknow
Peak:m/z	Relative Intensity
71.50471	0.2
78.95771	19.5
92.95768	0.1
96.63495	0.1
122.00029	1.0
134.98430	0.3
140.01082	5.7
152.99490	1.8
189.15491	0.2
196.03722	9.4
197.03984	0.2
214.04776	1.9
226.49277	0.1
255.23251	100.0
256.23584	7.1
441.70496	0.2
452.27786	76.7
453.28131	8.2
453.33258	0.1
962.38629	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	947.594
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99664	0.3
69.03325	1.3
69.25570	1.6
69.25979	0.3
71.01248	24.9
72.01570	0.5
72.99182	1.8
73.02819	4.1
75.00748	0.5
80.96378	0.4
81.03312	1.2
81.42593	0.2
83.01245	2.8
83.04873	0.4
85.02818	5.6
85.99939	0.4
87.00747	5.6
87.04367	0.3
89.02312	20.1
91.03852	0.3
93.03310	0.3
94.97968	0.3
95.01243	1.5
95.04892	0.4
97.02827	4.6
97.06459	0.4
99.00755	1.8
99.04401	0.4
101.02316	19.5
102.02625	0.3
103.00275	0.3
103.03887	0.4
108.47048	0.2
109.06443	0.2
109.77775	0.2
111.00709	0.3
111.04368	0.6
112.01562	0.3
113.01527	0.5
113.02325	9.3
113.09595	8.2
115.03870	0.5
119.03378	5.4
120.03752	0.3
121.02841	0.5
124.01466	0.4
125.02328	9.3
125.09579	0.3
127.03910	0.5
129.01797	0.3
131.03375	1.1
133.04933	0.8
133.96425	0.2
135.11674	0.3
137.02333	0.2
139.03906	0.6
139.11148	0.9
141.01849	0.6
141.09088	0.3
143.02368	0.3
143.03400	3.6
149.02319	0.4
149.04417	0.6
149.09615	0.3
150.83824	0.2
155.10718	0.2
157.04851	0.3
157.77216	0.2
161.04465	4.4
167.03450	0.5
167.10703	1.5
169.04942	0.6
171.10196	0.5
177.12766	0.5
179.05524	4.1
179.10670	1.2
185.04489	0.4
185.11719	0.4
195.13850	1.4
199.06123	0.3
203.05547	0.4
217.07135	0.5
219.04849	0.3
221.06555	1.9
235.08183	9.6
236.10617	0.3
245.06624	0.5
246.63342	0.2
249.22168	1.1
253.09268	2.0
255.23250	62.1
256.23566	4.2
263.07697	1.0
269.24905	0.7
275.20114	1.0
277.09286	0.5
286.59317	0.2
287.07693	3.0
288.08133	0.3
293.21198	50.8
294.21530	4.1
305.08752	4.4
323.09900	1.5
325.61136	0.2
379.12360	0.7
397.13461	100.0
398.13812	7.2
399.13843	0.3
415.14542	31.5
416.14807	2.2
475.93948	0.3
653.37445	7.2
654.38019	1.2
947.43115	0.4
964.73285	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	947.3692
Annotation	Unknow
Peak:m/z	Relative Intensity
67.38009	1.1
69.82389	5.9
71.01263	1.5
71.43347	1.2
75.16512	1.1
87.78478	1.1
93.03343	3.3
101.02308	1.7
108.02061	1.4
109.02808	1.6
111.75995	1.1
121.02831	9.4
122.03639	13.5
123.00787	2.5
124.01532	1.5
133.02849	4.7
134.03656	2.4
136.01570	4.0
145.02824	1.3
146.03601	3.3
147.04404	4.9
149.02341	33.3
149.05997	3.3
150.03125	100.0
151.03941	7.5
159.04451	2.8
160.05151	7.4
161.02240	1.5
161.05925	5.0
162.03185	2.8
163.03917	3.9
164.04683	12.2
165.05479	86.6
166.05797	4.4
173.06065	1.5
175.07567	6.5
177.05460	5.7
179.03435	1.5
179.07036	3.3
180.04221	5.7
189.86542	1.2
193.08487	1.3
195.06544	35.0
195.13773	1.4
196.06807	1.3
298.08536	1.8
313.10797	4.6
314.11154	2.2
315.12167	3.4
329.13889	17.1
343.11829	13.4
344.12106	2.7
373.12808	3.3
391.14233	1.4
410.64206	1.3
411.06049	1.2
459.18051	1.4
477.19113	12.5
478.19321	2.5
507.20239	13.4
525.21326	7.4
526.22260	1.6
537.21130	6.4
555.22522	7.3
573.09680	1.9
573.66541	1.7
655.25195	3.1
673.26440	2.9
685.26294	2.8
703.27588	5.0
704.27136	1.6
721.28339	2.5
733.28955	3.6
751.29535	3.5
757.27832	1.7
851.32483	4.0
869.33655	2.2
881.33472	3.5
899.34479	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	946.3481
Annotation	Unknow
Peak:m/z	Relative Intensity
70.45734	8.0
72.00751	4.2
74.02327	6.3
82.02894	5.4
86.15832	3.9
96.76121	3.7
99.01882	25.7
109.02826	6.8
110.02378	20.4
119.04912	11.5
121.02795	4.6
135.01877	5.2
141.06577	7.4
147.03207	4.6
149.04700	12.7
150.05504	24.0
158.40878	3.9
162.05493	6.6
164.49944	3.2
165.05463	4.6
172.10823	8.4
182.57486	3.5
192.06567	95.8
193.06883	5.3
202.12320	10.8
221.10468	6.4
263.13983	83.5
285.08612	3.8
290.15039	6.2
291.13300	4.6
329.07864	6.7
334.13928	12.2
478.26938	4.2
492.24875	6.1
527.76740	4.8
579.24603	55.6
580.24347	6.5
636.60010	3.8
659.56543	4.2
690.27692	52.3
691.28082	9.7
865.34534	9.1
883.35028	100.0
884.35315	29.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	947.282
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03323	1.7
71.01250	45.4
72.01583	0.6
72.02019	0.3
72.99180	2.5
73.02814	46.8
74.03158	0.7
75.00748	1.0
76.89835	0.2
77.03850	0.8
79.01763	0.8
79.27734	0.2
81.03314	0.5
83.01254	17.4
84.01571	0.3
85.02820	5.5
87.00738	1.0
89.02309	8.6
95.01260	2.0
97.02818	0.9
99.00759	0.9
99.04395	0.4
101.02319	48.3
102.02650	0.8
105.03329	0.3
113.02325	17.6
114.02647	0.5
117.01834	0.2
119.03386	5.7
119.04823	0.2
121.02835	1.0
125.02336	2.3
131.03387	5.2
139.00278	0.2
143.02243	0.3
143.03394	5.2
143.04912	0.9
145.02853	1.1
147.02838	0.3
149.04456	11.3
155.03387	2.3
161.04454	16.3
162.04768	0.3
165.01825	0.8
167.08574	0.3
179.05486	0.5
181.06480	0.7
191.05547	0.3
194.07292	0.3
195.08044	0.5
203.05537	2.5
208.24367	0.2
221.06609	5.6
222.06790	0.4
223.07555	2.4
237.05489	0.3
238.06302	0.7
239.07001	0.5
253.05090	1.9
263.07217	0.6
265.04999	2.6
266.05707	1.3
267.06601	30.1
268.06967	2.6
277.05008	1.2
279.06638	3.2
291.06586	0.3
292.03790	0.4
293.04617	0.5
295.06091	54.9
296.06445	4.6
298.04846	1.7
307.06149	5.4
308.06519	0.3
309.07452	0.4
311.33206	0.2
325.07166	15.2
326.07361	1.5
337.07175	1.3
349.07257	0.3
367.07834	0.3
369.06024	0.4
397.09662	0.4
415.10312	100.0
416.10675	9.7
457.11465	1.1
577.15094	1.4
636.66455	0.3
735.54187	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	945.6147
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03300	2.1
71.01247	25.8
71.50746	1.2
72.94099	1.0
72.99170	2.1
73.02816	4.4
75.00741	3.0
78.95748	2.1
81.03300	1.2
83.01241	2.7
85.02814	5.3
87.00752	7.1
89.02315	22.4
95.01276	2.9
97.02809	3.9
101.02315	21.5
102.51418	1.0
113.02319	10.9
119.03362	3.6
125.02325	8.3
131.03387	1.4
143.03342	3.5
161.04462	6.1
163.18097	1.2
179.05429	4.1
186.96713	1.1
204.87473	1.3
209.11722	1.7
221.06520	2.6
235.08150	12.1
253.09169	2.1
263.20096	5.2
271.91470	1.1
283.26395	62.8
284.26785	6.1
287.07663	3.1
305.08670	4.0
328.00714	1.3
397.13461	100.0
398.13571	5.5
415.14511	28.5
416.15021	2.0
555.91821	1.4
681.40839	7.3
826.99976	1.4
931.20319	1.4
944.20374	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	944.2462
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01231	0.3
79.01752	0.4
98.20592	0.5
107.04995	0.3
108.41824	0.2
109.02824	1.0
133.02853	4.4
134.03621	0.3
135.04401	0.6
146.03525	0.2
147.04396	0.5
149.02338	0.9
151.03906	0.4
161.02397	0.4
163.03893	0.5
175.03954	1.1
177.01831	0.8
177.05479	0.4
179.03412	0.4
187.03812	0.3
189.05513	0.6
191.03453	0.4
201.01831	0.6
203.03426	0.8
205.01350	0.3
205.04987	0.4
213.05443	0.4
215.03442	0.4
217.05046	0.3
226.06520	0.3
227.03465	0.5
229.05116	0.3
233.04491	0.5
239.07080	0.3
241.05051	0.3
245.04469	0.6
252.16357	0.3
255.03419	0.3
257.04532	0.3
267.06613	0.5
269.04608	0.3
282.04919	0.3
283.06082	0.8
284.06314	0.2
295.06122	0.5
297.03906	1.8
298.04791	4.7
299.05490	2.0
300.06335	0.2
309.04092	0.9
310.04745	0.4
311.05557	4.2
312.06311	5.8
313.07129	4.8
314.07434	0.5
323.05475	1.3
325.07104	0.7
327.05066	2.8
339.05069	6.4
339.09137	0.6
340.05502	0.6
341.06677	3.0
344.05447	0.7
351.04987	0.7
353.06570	2.3
357.06161	0.8
361.16446	0.3
367.04416	0.3
369.06116	21.1
370.06476	1.9
371.07745	0.5
381.06143	3.8
382.06720	0.3
383.07727	0.5
395.07819	0.5
397.05597	0.3
399.07166	23.0
400.07590	2.4
411.07199	2.2
412.07535	0.5
413.08725	0.5
423.07098	0.8
429.08188	4.2
430.08679	0.6
437.08783	0.4
439.22266	0.3
441.08170	3.5
442.08484	0.3
459.09305	9.0
459.23239	0.3
460.09741	0.7
471.09064	0.7
473.10822	2.6
489.10471	1.5
503.11520	0.6
545.13263	1.1
563.14008	100.0
564.14343	14.3
712.73621	0.3
849.05286	0.3
888.05994	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	941.3449
Annotation	Unknow
Peak:m/z	Relative Intensity
70.40349	1.1
71.01258	55.1
71.51398	1.0
71.51783	1.3
72.99180	4.8
85.02813	10.0
87.00740	3.9
89.02322	49.3
90.02645	1.3
95.01250	2.5
101.01712	2.0
101.02329	28.9
113.02342	17.0
118.65188	1.1
119.03398	23.4
121.02861	1.9
122.03605	4.5
125.02309	1.2
131.03363	2.2
136.01613	1.6
143.03400	6.0
149.02336	10.5
149.04407	2.3
150.03137	31.2
151.03693	1.9
160.01581	1.5
161.04471	3.6
164.04671	4.8
165.05495	26.9
177.05519	1.2
178.24321	1.0
179.05530	10.9
179.06912	1.5
180.04153	2.3
195.06590	18.6
267.06702	1.6
268.07321	3.9
269.07629	1.2
270.08911	1.2
280.07324	2.6
283.09732	2.5
293.08325	1.2
296.06839	3.6
298.76566	1.2
308.06937	2.4
309.07578	3.8
311.09344	9.7
313.10461	1.4
322.08591	1.8
323.09256	6.8
324.06442	2.5
324.09973	4.1
325.06973	1.1
337.10724	1.6
338.11798	2.7
339.08737	40.2
339.12360	3.3
340.09137	4.4
343.08194	1.3
343.11734	5.4
354.11142	22.0
355.11557	3.5
357.13055	1.8
369.13431	100.0
370.13803	8.2
391.13971	3.0
453.68341	1.1
517.18500	2.6
634.71362	1.4
713.25970	8.6
714.26849	1.7
731.27502	1.7
745.27472	1.5
761.28333	1.2
893.32642	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	944.2464
Annotation	Unknow
Peak:m/z	Relative Intensity
70.13634	1.1
71.01258	0.5
71.53503	0.2
83.01239	0.2
97.02808	0.3
98.57786	0.2
109.02847	1.0
109.69250	0.2
110.80260	0.2
133.02844	4.0
135.04411	0.6
137.02310	0.2
147.04379	0.3
149.02364	0.4
149.05956	0.5
151.03854	0.3
154.97440	0.3
161.02357	0.3
163.03831	0.6
167.03479	0.3
175.03822	1.2
177.01848	1.0
177.05478	0.7
179.03430	0.4
189.05548	0.6
191.03397	0.5
201.01855	0.5
201.05508	0.3
203.03468	0.7
205.01395	0.4
217.04953	0.3
227.03357	0.4
233.04454	0.4
239.06877	0.3
255.02826	0.3
255.06760	0.3
257.04584	0.3
267.06592	0.4
269.04544	0.4
281.04691	0.3
283.06055	0.8
292.03439	0.3
295.06094	0.5
297.03992	1.4
298.04825	4.2
299.05533	2.0
308.28232	0.2
309.04031	0.6
310.04947	0.5
311.05655	3.3
312.06326	5.2
313.07126	4.5
314.07437	0.4
322.74896	0.3
323.05701	0.9
325.07150	0.6
327.05118	3.0
338.04398	0.4
339.05103	6.2
340.05432	1.0
341.06693	3.0
344.05313	0.7
351.05121	0.6
353.06638	1.9
357.06131	1.0
367.04581	0.4
369.06146	24.8
370.06467	1.9
371.07614	0.6
381.06076	3.9
382.06516	0.4
383.08005	0.5
395.07828	0.5
397.05524	0.4
399.07217	26.7
400.07608	2.2
411.07217	2.3
413.09192	0.5
423.07187	0.6
423.62341	0.3
429.08197	5.5
430.08762	0.4
441.08261	5.2
442.08655	0.3
459.09351	7.7
460.09650	0.7
471.09271	0.6
473.10913	3.9
485.10779	0.5
489.10599	1.4
503.11993	1.5
545.13098	2.3
563.14044	100.0
564.14398	12.7
660.39056	0.3
909.97571	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	937.4247
Annotation	Unknow
Peak:m/z	Relative Intensity
66.00733	0.5
71.50752	0.6
73.02807	1.2
79.95602	0.6
80.96384	0.9
83.01218	0.5
163.11156	0.6
209.11737	1.4
215.34615	0.6
225.00763	0.6
291.19473	0.8
293.34174	0.5
344.42383	0.5
375.36328	0.5
451.14297	0.9
452.15009	1.2
481.14862	5.0
482.15167	0.9
495.16769	8.8
496.16995	2.0
497.16937	0.8
508.17477	0.9
509.18469	0.7
512.13715	0.8
526.15375	0.8
536.17102	2.2
539.16058	0.7
540.16425	2.3
541.16388	0.7
551.19391	27.4
552.19666	7.9
553.19244	3.7
554.18231	2.0
555.18695	0.9
572.15430	2.3
586.17218	2.3
587.16882	0.7
595.18536	2.4
596.18591	0.7
627.20966	100.0
628.21240	28.3
628.31708	1.2
629.21100	14.0
630.21112	2.1
760.46350	0.6
937.43201	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	939.6424
Annotation	Unknow
Peak:m/z	Relative Intensity
65.10787	0.7
68.85077	0.8
71.47512	1.7
131.03641	0.9
136.10474	0.9
150.03093	1.2
152.29283	0.8
165.05544	0.9
193.05061	1.1
309.91125	1.1
362.90482	0.9
447.16519	0.9
903.66705	3.1
939.64154	100.0
940.64404	25.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	935.485
Annotation	Unknow
Peak:m/z	Relative Intensity
67.18428	0.2
69.03317	0.5
69.66639	1.5
71.01257	1.6
81.03358	0.3
85.02821	0.4
89.02319	0.9
95.48032	0.2
96.95903	0.4
101.02315	1.1
108.30488	0.3
111.08038	1.6
112.41331	0.2
113.02352	0.4
116.92815	0.5
143.03448	0.3
161.04500	0.3
165.12750	22.3
166.13083	0.8
175.70992	0.2
179.05478	0.3
181.12161	0.4
183.13820	96.9
184.14137	4.6
197.11696	1.2
209.11761	1.8
211.13293	0.6
227.12828	100.0
228.10918	0.2
228.13161	4.5
249.10854	0.3
291.19559	2.0
309.20688	9.4
310.21121	0.5
327.21820	0.3
397.13513	2.7
398.13620	0.3
415.14539	2.7
507.96982	0.3
702.42474	0.2
707.34949	4.8
708.35663	0.7
791.08008	0.3
841.33026	0.3
935.43231	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	935.4633
Annotation	Unknow
Peak:m/z	Relative Intensity
69.05909	0.7
69.85689	2.3
69.86103	1.2
71.01250	6.7
71.04882	0.9
72.99174	7.5
73.02800	0.9
74.29220	0.7
75.00758	4.8
78.95780	0.8
79.56380	0.6
83.01229	1.9
85.02806	1.1
87.00731	3.5
96.95927	0.7
98.19829	0.8
99.00757	6.4
100.01552	0.6
101.02343	0.9
111.00777	4.3
112.98697	13.6
113.99495	4.4
115.00246	6.8
117.01819	1.1
124.98691	1.1
128.01057	1.5
129.01860	1.5
133.55342	0.8
135.02887	13.8
136.59528	0.7
142.99757	25.1
144.00078	0.7
152.99435	0.8
156.00540	16.6
157.01270	0.9
173.00827	31.7
174.01607	100.0
175.02380	15.2
201.11115	0.7
221.11761	1.1
223.13394	1.1
233.15437	1.1
235.13454	1.1
237.11276	2.7
274.15118	0.7
277.21790	0.9
279.12366	1.6
293.21204	22.5
294.21677	1.1
305.21204	5.7
306.21518	0.8
307.22668	2.9
315.19641	0.9
319.22769	4.4
331.19107	1.7
333.20743	1.3
345.20642	5.0
349.20169	19.3
350.20721	1.1
363.21759	3.7
367.21280	5.6
369.20596	2.0
371.18475	1.5
379.21271	1.5
387.21765	2.0
389.19690	2.0
389.37231	0.7
405.22745	2.9
407.20670	17.4
408.21033	1.0
419.20685	1.4
423.23849	1.0
431.20889	0.9
449.21841	13.8
450.22183	0.9
467.22800	30.7
468.23383	2.5
757.62823	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	931.3753
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06211	2.2
70.06566	4.4
93.03336	4.9
98.19854	1.4
108.02032	3.1
109.02806	3.6
121.02831	15.3
122.03635	17.9
123.04400	5.3
127.91904	1.3
132.02063	1.5
133.02847	4.3
134.03615	7.4
135.04358	4.2
136.01563	4.9
137.02332	1.9
142.30733	1.2
145.02852	4.7
146.03590	6.0
147.04428	6.9
149.02339	26.6
149.03374	1.1
149.05983	6.2
150.03130	100.0
151.03831	7.3
161.02332	2.2
161.05943	4.2
162.03073	4.0
163.03828	3.3
164.04692	10.9
165.05475	84.3
166.05782	3.3
175.03902	1.7
176.04623	2.0
177.05403	3.7
179.07066	7.7
180.04178	6.4
181.04955	2.3
188.00638	1.2
192.04315	1.9
195.06560	26.3
204.54367	1.2
207.06525	4.8
219.06487	2.2
237.05441	2.4
239.07039	2.5
240.04254	7.0
253.04860	1.7
254.05862	5.8
255.06601	6.3
265.04965	2.3
266.05780	2.8
267.06656	6.8
268.07242	2.7
269.08154	3.8
270.08896	4.3
271.09692	1.4
279.06653	1.6
281.08215	3.4
282.08856	4.0
283.06213	2.7
283.09631	1.8
293.08179	2.2
294.09036	2.1
295.06134	5.2
295.09702	7.4
296.06772	1.8
296.10260	2.7
297.07590	3.8
297.11182	3.0
298.08475	12.0
299.08817	2.3
308.10526	1.6
309.11337	2.4
310.08502	5.3
311.09219	3.8
312.09921	2.7
313.10727	17.1
314.07858	2.1
315.12442	1.6
325.10870	3.4
326.11490	3.5
327.12268	3.7
339.12286	1.3
340.09341	1.8
343.11798	16.5
347.14783	1.8
355.11838	5.5
361.16574	10.1
373.12906	4.0
449.16190	3.8
463.17569	1.3
475.17273	2.2
479.17068	2.3
491.17102	2.4
493.18948	1.8
494.19308	7.6
506.19662	3.0
507.20142	2.7
508.20862	3.0
509.21771	37.4
510.22278	2.6
521.21771	34.8
522.22198	4.1
539.22583	1.9
557.24017	4.1
563.23029	2.9
657.27032	6.2
669.26855	11.0
670.27802	2.7
681.27209	1.7
687.28455	8.9
699.28180	3.4
705.28778	8.0
706.27545	1.4
717.29492	6.2
735.29865	2.2
759.29895	3.2
835.32806	3.7
847.33887	1.5
853.34302	11.9
854.35046	2.2
865.34467	12.4
866.34308	2.5
883.35718	9.7
884.36115	2.2
895.35577	3.7
901.36267	7.7
913.36316	4.3
931.38574	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	934.3351
Annotation	Unknow
Peak:m/z	Relative Intensity
69.72513	1.6
69.72926	0.8
70.02850	3.5
72.00780	2.5
91.05396	1.7
98.20539	0.6
135.04459	0.7
147.04416	21.2
148.04720	0.9
164.07080	55.5
165.07463	2.4
206.08162	100.0
207.08513	5.9
250.07179	0.8
472.25238	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	935.4644
Annotation	Unknow
Peak:m/z	Relative Intensity
67.58161	0.5
68.99680	0.6
70.72437	0.5
71.01246	5.7
71.04887	0.7
71.05853	1.3
72.99178	7.8
73.02808	0.6
75.00744	4.5
78.95762	0.7
83.01251	3.2
85.02805	0.8
87.00770	3.1
96.95889	0.7
99.00163	1.0
99.00754	7.8
100.01552	0.8
109.06441	1.0
111.00778	4.3
112.98691	12.9
113.99493	4.3
115.00255	7.8
117.01829	1.3
117.72488	0.6
124.98702	1.2
125.09579	0.7
128.00992	0.6
129.01740	0.8
135.02882	14.0
136.03185	0.6
142.99751	28.7
145.01266	1.3
156.00545	14.3
157.01363	1.2
160.42479	0.5
165.12776	1.2
173.00827	33.4
174.01604	100.0
175.02364	13.6
207.13826	0.9
221.11755	0.6
223.13225	0.5
235.13358	1.0
237.11247	2.4
239.12852	0.6
251.12947	0.7
277.21564	1.2
279.12402	2.0
293.21216	20.3
294.21530	1.8
305.21188	6.2
307.22769	2.4
319.19275	0.8
319.22717	3.7
321.20514	0.8
331.19003	1.4
345.20685	6.2
349.15982	1.2
349.20184	17.3
350.20547	1.7
363.21814	3.8
367.21332	5.3
368.22083	0.7
369.20728	1.8
371.19165	0.5
379.21292	1.6
387.21503	2.8
389.19717	2.4
405.22662	2.5
407.20721	17.5
408.21072	1.2
431.20816	1.8
449.21729	13.6
450.21939	1.6
467.22818	28.3
468.23218	3.4
517.54779	0.6
535.37787	0.6
566.55084	0.6
798.96094	0.6
925.39215	0.6
935.47168	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	928.5677
Annotation	Unknow
Peak:m/z	Relative Intensity
64.97459	0.1
70.70879	0.3
77.61449	0.1
78.95770	51.8
96.96836	6.6
111.99003	0.1
150.97916	2.1
150.99074	0.2
152.99480	100.0
153.99814	1.3
171.00540	3.7
279.23337	1.0
358.97516	0.1
433.23553	35.8
434.23898	4.0
752.19666	0.1
786.91309	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	930.3523
Annotation	Unknow
Peak:m/z	Relative Intensity
70.78050	1.5
70.78394	1.0
71.02357	1.2
72.00761	0.9
73.03942	1.7
74.02327	2.2
83.02358	1.3
93.03321	1.8
99.01888	5.5
107.04901	1.6
109.02805	2.4
109.52610	0.7
111.01845	0.6
111.05510	1.0
113.03410	1.0
115.08647	1.7
119.04916	8.3
121.02892	1.1
123.04403	2.0
123.61462	0.7
125.07093	1.4
130.31679	0.7
131.03667	1.4
131.88733	0.8
132.05722	1.6
133.02864	2.5
133.05214	0.8
133.06461	2.6
134.63913	0.7
136.11252	0.8
137.03424	2.5
139.05009	1.0
141.06569	3.9
145.02885	1.0
147.03159	47.2
147.08040	1.1
148.03790	1.5
148.07567	2.1
149.04694	3.3
150.05502	7.4
153.95410	0.9
155.08113	1.5
162.05486	2.2
162.82007	0.7
163.05067	0.8
164.04752	0.8
165.05447	1.4
172.10825	5.6
174.05493	2.3
176.03490	4.0
176.07074	1.2
176.10664	1.4
179.04539	1.2
179.11916	1.0
180.06557	1.2
185.09647	1.2
190.04997	4.1
190.12302	1.0
192.04828	1.1
192.06587	21.8
193.06841	0.9
193.09796	1.1
200.10692	1.6
202.12331	3.2
218.04529	46.2
219.04886	3.2
219.15123	0.9
228.06569	1.2
230.11711	0.8
244.09729	2.4
245.09482	0.8
246.11308	0.8
247.14432	1.8
255.14893	1.0
263.13992	9.6
269.05692	1.4
270.06345	1.3
271.07239	1.0
281.16528	2.1
308.16150	4.7
311.17685	0.8
334.13919	1.1
342.18369	3.7
372.18924	1.0
374.20938	0.9
375.23917	1.4
384.18933	0.9
385.18707	1.6
386.21252	1.6
403.19553	13.1
404.20023	1.2
429.20941	0.8
492.24841	1.5
498.27158	1.0
507.25247	0.8
509.27634	2.3
542.26794	0.8
574.09326	0.8
579.24597	1.6
604.31055	1.9
648.30322	28.5
648.41144	1.6
649.30469	4.6
674.28284	2.9
867.35657	100.0
868.35992	25.1
868.52893	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	923.3185
Annotation	Unknow
Peak:m/z	Relative Intensity
71.50272	1.4
98.11350	0.7
109.02839	1.1
114.11648	0.8
121.02821	1.6
125.02291	1.0
133.02844	10.0
135.04393	0.9
149.02344	1.2
151.00227	0.7
160.44881	0.7
161.02451	1.0
163.00250	1.1
163.03888	2.4
166.86792	0.8
168.42354	0.7
175.03899	3.2
191.03371	1.9
193.01312	1.6
201.01790	0.9
211.03894	0.7
213.05486	1.1
225.05400	0.8
241.05009	0.8
253.05095	0.8
255.03017	0.9
255.06555	1.4
284.03314	6.8
285.03992	6.7
297.04031	12.8
298.04694	8.9
299.05594	17.1
300.05948	1.4
311.05649	1.7
325.03775	1.2
327.05078	97.6
328.05441	7.9
339.05093	3.2
357.06143	24.1
358.06534	2.4
369.05923	2.8
421.68091	0.8
447.09293	100.0
448.09680	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	925.2985
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01245	1.1
85.02821	0.5
89.02291	0.3
98.20641	0.6
101.02348	0.6
109.02843	0.4
116.17447	0.3
119.04887	0.3
121.02840	0.7
125.02351	0.5
131.01282	0.5
133.02835	7.6
135.04440	0.6
143.87062	0.3
147.04416	0.5
149.02379	0.6
151.00290	0.3
161.02357	0.7
163.00291	0.7
163.03908	0.9
165.01880	0.7
173.02328	0.8
175.00278	2.2
175.03918	1.3
177.01770	0.6
179.03313	0.4
191.03404	0.8
193.01315	0.9
199.03946	0.8
201.01852	0.8
225.05560	0.6
227.03729	0.5
237.05522	0.6
239.03450	0.3
241.05028	0.6
253.05051	0.9
255.02954	0.4
255.06599	0.4
265.05063	1.2
267.02966	1.0
269.04587	1.1
270.05151	0.4
281.04651	0.6
284.03308	4.8
285.04056	4.7
297.04034	10.1
298.04785	8.8
299.05597	9.3
300.05972	0.8
309.04050	32.9
310.04318	2.0
311.05655	1.7
324.02679	0.5
325.03650	0.4
327.05084	53.1
328.05475	3.6
339.04999	2.6
341.06583	0.7
353.03290	0.3
357.06143	19.6
358.06516	1.2
369.06067	1.5
387.16599	0.3
395.07773	0.5
407.29843	0.3
413.08749	11.7
414.09058	1.1
415.10248	0.6
473.10919	8.9
474.11023	0.6
577.15619	100.0
578.15942	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	919.4541
Annotation	Unknow
Peak:m/z	Relative Intensity
67.88541	0.9
69.03312	1.8
69.41467	7.3
71.01250	83.4
72.99170	2.4
73.02816	27.2
74.03140	1.0
75.00722	1.2
80.65189	0.8
83.01250	11.1
85.02821	45.1
85.99940	1.3
86.03118	1.2
87.00729	3.2
89.02303	10.5
91.36889	0.9
92.85346	0.8
95.01263	6.6
97.02824	2.8
99.00748	11.8
100.92553	0.9
101.02319	56.1
113.02328	34.9
119.03394	2.2
125.02302	2.3
129.01802	1.6
143.03391	5.5
159.02899	6.7
161.04451	27.5
211.16980	7.8
283.75150	1.1
355.21140	3.5
373.22296	90.6
374.22659	9.4
415.23331	100.0
416.23706	11.4
472.25287	0.9
645.22400	1.3
786.64154	1.1
795.86316	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	919.4548
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03337	2.1
71.01258	74.2
72.99183	3.1
73.02818	26.7
76.23337	1.7
83.01260	13.3
85.02831	39.4
87.00768	4.6
89.02305	5.0
89.88737	2.0
95.01257	6.7
97.02837	3.3
99.00750	10.1
101.02327	64.9
111.00759	2.6
113.02332	32.4
134.03555	2.6
143.03400	2.5
150.06795	2.1
159.02882	6.9
161.04454	22.3
193.04941	4.2
198.18723	1.7
229.44780	2.4
327.05191	3.5
343.04575	7.4
355.21198	4.5
373.22311	100.0
374.22610	8.6
415.23404	71.2
416.23462	10.1
429.08267	5.3
459.22433	2.2
737.76111	2.1
825.56299	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	915.4584
Annotation	Unknow
Peak:m/z	Relative Intensity
69.00887	0.3
71.01242	2.1
71.06437	0.8
72.99182	2.1
73.02822	0.6
75.00741	9.2
83.01250	0.8
83.97829	0.3
85.02818	6.6
87.00730	1.8
89.02319	1.2
90.41556	0.4
97.02804	0.9
101.02301	0.8
111.00790	0.6
113.02320	0.4
115.00241	1.5
129.01820	100.0
130.02187	2.1
135.02881	16.3
152.99553	0.5
171.10172	1.6
175.02400	3.1
197.11664	0.6
200.54782	0.4
209.11768	0.9
211.13310	0.4
235.07932	0.4
239.12819	1.5
247.04507	2.3
253.09232	0.7
277.21667	5.8
278.21951	0.6
285.13303	0.9
285.24200	0.4
346.66821	0.4
460.77551	0.4
781.43713	0.9
915.49109	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	916.3729
Annotation	Unknow
Peak:m/z	Relative Intensity
66.03342	0.7
71.02362	1.0
72.00773	2.3
73.03948	1.3
74.02341	2.0
81.03311	0.8
82.02833	2.5
83.02363	1.3
84.04404	1.7
97.00298	0.9
99.01885	18.6
104.98451	0.7
105.99376	0.7
107.04885	2.4
109.03964	7.9
110.02374	1.8
111.01833	1.0
111.05563	0.9
113.03444	1.1
115.05437	1.1
115.08657	1.1
117.03270	0.8
119.04902	16.2
124.23579	0.8
125.07148	1.2
126.05443	0.8
132.05663	1.2
133.06490	3.7
134.05962	1.1
138.01799	0.8
139.05046	0.8
141.06592	5.5
144.08083	0.8
145.02779	0.9
146.05963	2.2
148.07553	1.8
155.08138	2.0
159.07968	1.1
162.05537	1.7
164.04758	0.9
167.66356	0.8
168.80167	0.7
172.10797	4.6
173.09615	1.1
176.10715	5.5
180.06570	2.1
184.10977	0.7
186.09140	4.1
188.07108	2.7
189.11508	2.1
190.12250	1.2
196.07620	1.3
202.05014	1.0
202.12312	6.7
205.06210	1.0
214.08673	7.8
219.14926	1.3
221.10454	0.9
229.66550	0.9
230.11908	1.2
231.11313	3.3
239.08202	0.8
240.06622	4.8
244.09831	1.2
246.11356	2.1
259.10806	1.2
263.13983	51.7
264.14413	3.5
273.12476	8.5
274.10599	1.0
282.11429	0.8
290.15106	2.3
291.13431	2.7
298.11908	1.3
299.10318	7.3
311.17572	0.9
334.14136	5.8
368.19821	2.3
385.22592	1.4
386.20697	1.6
394.87717	0.8
429.21512	1.6
492.25266	2.6
535.25494	1.6
579.24561	23.6
580.24829	3.1
835.36743	10.2
836.36853	2.1
853.37714	100.0
854.38080	29.3
881.36975	1.8
907.52399	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	915.423
Annotation	Unknow
Peak:m/z	Relative Intensity
65.57675	2.2
67.69290	2.2
71.01249	63.0
71.42051	2.2
73.02813	21.6
76.70878	2.8
79.93727	2.3
82.41245	2.2
83.01247	10.7
85.02816	31.9
87.00759	2.2
89.02309	6.4
95.01237	4.5
96.95849	3.0
97.02813	3.6
98.21635	2.3
99.00741	9.6
101.01700	4.5
101.02320	45.4
113.02339	24.4
117.87291	2.5
119.03374	3.3
125.02367	2.6
143.03394	3.6
159.02872	4.3
161.04439	21.2
196.95468	2.6
209.15323	2.7
229.65921	2.7
285.04044	3.3
353.19705	5.9
371.20703	77.0
372.21173	5.3
413.21771	100.0
414.21860	11.7
429.08218	3.6
457.20639	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	915.4596
Annotation	Unknow
Peak:m/z	Relative Intensity
66.65488	0.3
69.96198	0.3
70.66222	0.9
71.01242	2.4
72.99172	2.3
73.02841	0.4
75.00746	8.7
75.58968	0.3
78.95774	0.7
80.96381	0.4
83.01223	0.7
85.02820	6.6
87.00749	1.3
89.02299	1.3
97.02815	1.5
99.00797	0.4
100.26332	0.3
101.02329	1.2
104.69948	0.4
113.02323	0.7
115.00258	1.5
117.01806	0.4
122.01917	0.3
125.02370	0.6
129.01826	100.0
130.02126	2.3
135.02885	15.5
136.03241	0.4
152.99496	0.6
169.28574	0.4
171.10176	1.4
175.02383	2.4
175.03749	0.3
195.13853	0.4
197.11711	0.5
209.11783	1.1
211.13260	0.5
235.08086	0.6
239.12761	1.1
245.04337	0.5
247.04500	1.8
253.09213	0.7
277.21741	6.0
278.21909	0.5
285.13303	0.6
405.17990	0.4
481.25473	0.9
490.56683	0.4
781.44049	1.1
915.49347	1.3
927.27716	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	912.537
Annotation	Unknow
Peak:m/z	Relative Intensity
66.36217	0.3
69.29507	2.6
70.36755	0.3
78.95770	59.4
96.96841	5.8
111.78318	0.3
121.99990	0.4
140.01080	1.9
150.97882	1.7
152.99483	100.0
153.99791	1.7
171.00529	4.9
182.36742	0.3
196.03734	2.6
214.04811	0.8
242.09885	0.3
255.23338	0.3
277.21832	0.3
279.23303	0.6
281.24838	27.9
282.25107	2.3
433.23575	38.7
434.23972	4.9
478.29346	31.5
479.29675	3.6
480.97675	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	914.3577
Annotation	Unknow
Peak:m/z	Relative Intensity
71.02373	4.1
74.02338	5.4
77.81465	2.6
82.02834	3.4
83.02386	2.7
84.40074	3.0
99.01887	28.8
100.00290	2.6
107.04954	2.8
109.03957	5.0
110.02349	7.7
116.04929	9.6
119.04903	15.1
125.07072	3.3
133.06473	5.5
141.06592	7.5
155.08163	4.4
162.05534	4.1
164.04617	3.4
172.10837	8.4
173.07098	5.8
176.10693	8.3
184.07581	6.9
185.07143	7.2
186.05498	3.7
202.12331	10.7
205.06105	3.0
212.07121	12.1
229.09805	7.3
246.11366	3.2
263.14011	73.1
271.11008	4.8
274.10693	2.8
290.15131	3.0
291.13483	4.8
297.08771	7.0
301.99921	2.5
334.14063	10.5
368.19708	4.4
385.22989	2.9
386.20822	4.6
392.47223	2.9
492.24905	2.9
579.24445	56.9
580.24823	11.0
646.29126	6.2
664.29474	6.7
690.28491	3.2
753.32379	11.7
792.32727	5.0
815.34082	4.4
833.35400	12.9
834.35559	5.6
851.36188	100.0
852.37097	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	914.3577
Annotation	Unknow
Peak:m/z	Relative Intensity
70.27740	3.1
70.28086	10.0
73.03934	4.3
74.02356	3.9
80.71244	2.5
84.49088	2.6
99.01895	5.3
107.04923	4.0
119.04928	11.9
131.03659	17.1
133.06454	5.4
134.06015	2.8
141.06564	5.8
148.07556	4.7
167.76518	2.9
172.10828	9.2
173.09709	3.0
176.07095	9.8
202.05089	18.5
202.12296	3.4
216.10043	2.8
222.87648	2.8
263.14017	12.0
308.16074	8.6
319.38324	2.6
342.17993	4.8
385.18640	3.5
403.19394	15.4
416.84320	3.0
442.54858	2.9
509.27771	4.0
556.52191	3.2
611.98029	2.9
648.30273	66.7
649.30615	12.4
851.36310	100.0
851.52643	5.4
852.36011	23.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	910.3714
Annotation	Unknow
Peak:m/z	Relative Intensity
68.01286	18.6
71.01253	38.5
71.52834	1.5
72.01591	1.2
72.99171	1.6
73.02823	6.2
74.94756	0.8
81.03302	1.1
82.02877	1.1
83.01260	3.4
85.02818	11.6
87.00739	2.1
89.01475	1.1
89.02315	25.7
95.01232	2.2
97.02811	1.4
99.00740	2.5
101.02321	18.9
106.17326	0.9
110.02364	14.7
113.02333	16.7
116.04926	1.7
119.03368	9.4
119.04823	1.1
121.02841	1.6
124.03941	1.4
125.02318	1.9
131.03551	3.5
134.03650	4.6
135.04445	4.8
137.49388	0.8
140.04971	1.0
143.03412	5.4
144.04494	1.7
145.04962	1.3
147.04424	23.4
149.02341	1.9
149.04398	1.0
149.05951	1.1
150.03143	6.0
158.05991	2.6
159.02921	1.5
161.04466	22.5
161.05821	1.8
165.05421	5.8
178.02661	3.0
179.05531	21.3
188.05585	2.0
189.05499	2.8
193.04973	8.7
195.06592	4.2
196.06956	1.2
199.46562	0.9
203.05521	17.4
203.07275	1.6
230.06653	100.0
231.07016	5.5
255.06506	1.3
270.08865	1.3
271.09625	1.1
276.05948	1.7
276.08771	22.4
284.03256	1.4
285.04004	2.9
285.18625	1.1
286.04330	1.3
294.09775	3.8
301.10828	1.2
303.19757	1.5
329.13876	3.3
331.18964	1.2
336.10861	41.0
337.11099	2.6
341.10184	1.5
367.21219	52.0
368.21713	5.5
389.12259	1.0
425.78857	0.9
447.09213	2.4
448.09290	2.2
529.34418	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	907.3247
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00184	0.5
66.29396	0.3
70.94167	0.9
71.01241	0.5
74.35889	0.3
83.31104	0.3
85.02797	0.4
89.02309	0.4
95.01184	0.3
101.02280	0.4
105.03287	0.4
107.01270	0.4
109.02832	1.7
111.66266	0.4
113.02293	0.3
119.04897	0.5
121.02805	1.0
125.02301	0.4
133.02840	10.4
135.04391	1.0
147.04449	0.5
148.01572	0.5
149.02319	1.8
151.00237	0.5
161.02368	3.0
163.00273	5.1
163.03876	1.5
165.01848	2.5
165.05449	0.4
175.02551	0.3
175.03923	1.8
177.01768	0.5
178.99796	0.4
179.03444	0.4
181.04941	0.5
189.01802	1.0
190.99776	1.5
191.03445	0.8
193.01318	0.9
197.06076	0.4
199.03929	1.4
199.20517	0.3
201.01843	1.3
207.02922	1.2
211.03973	0.5
215.03389	0.5
217.05017	0.4
225.05466	1.2
227.03391	1.0
229.05003	0.7
233.00882	0.6
235.95065	0.4
237.05429	0.4
240.04208	0.6
241.05013	0.7
251.03427	0.4
253.05000	3.0
255.02960	2.3
257.04489	0.4
269.04465	2.5
281.04459	0.4
284.03229	3.7
285.04034	11.1
286.04483	0.7
297.04037	34.8
298.04727	6.8
299.05603	22.1
300.05817	1.8
301.03452	0.7
309.04050	0.5
311.05566	0.8
313.03534	4.8
314.03775	0.4
324.02759	0.4
325.03531	26.3
326.03925	2.3
327.05096	40.5
328.05453	3.6
339.05109	1.1
341.02972	0.6
343.04578	100.0
344.04889	7.6
355.04599	0.5
357.06046	4.5
358.06381	0.5
365.91296	0.4
393.06229	0.5
411.07275	1.6
429.08273	62.6
430.08591	7.3
447.09280	4.8
448.09634	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	900.3782
Annotation	Unknow
Peak:m/z	Relative Intensity
69.84699	10.4
72.00774	2.5
74.02340	2.2
90.16557	2.1
98.19782	2.2
99.01901	5.5
107.04913	2.1
115.04963	2.1
119.04936	7.4
131.03683	3.4
132.05734	3.3
141.06528	2.2
146.06013	3.0
160.89281	2.7
162.05446	2.2
198.09297	2.2
202.12399	2.3
257.07568	2.0
263.14227	10.4
308.16193	2.9
342.18091	2.4
403.19830	5.9
648.30280	2.5
837.38214	100.0
838.38776	26.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	900.3776
Annotation	Unknow
Peak:m/z	Relative Intensity
71.02415	3.0
71.51584	4.3
72.00784	5.0
73.03952	4.8
74.02323	2.8
82.12354	2.9
89.47738	2.4
95.00691	2.6
97.80495	2.5
99.01876	8.7
103.65424	2.9
113.43282	2.7
119.04919	26.9
131.03641	8.0
134.05992	8.9
141.06503	3.3
153.06572	12.4
163.03894	9.2
163.67030	2.3
164.07071	3.4
172.10892	4.5
180.06586	36.6
193.09750	3.3
206.08183	3.0
209.12895	4.1
240.38625	2.5
244.09758	7.5
282.11295	7.3
299.13916	2.7
403.19406	4.1
648.30493	8.1
837.38220	100.0
838.38678	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	905.4755
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03316	1.0
69.61816	0.5
69.62175	3.4
71.01241	2.0
73.02810	0.5
75.00791	0.4
77.48582	0.5
83.01264	0.7
85.02813	2.1
87.04385	2.4
96.95895	0.8
99.04413	1.2
101.02322	0.6
101.05941	1.0
101.07560	0.6
113.02380	0.8
118.97634	0.5
121.06486	0.7
128.27148	0.5
135.08055	1.9
136.05231	0.7
137.06027	0.5
149.05957	5.7
149.09584	0.5
150.06766	78.0
151.07076	3.1
161.09657	0.7
162.06776	9.6
163.07553	33.0
164.08337	13.0
169.67235	0.4
176.08299	1.0
177.09122	7.9
178.09895	4.0
179.10693	56.0
180.11034	2.5
213.88040	0.5
334.06396	0.6
376.26096	1.3
391.28448	2.5
392.28809	1.2
405.29706	0.6
407.31754	0.6
462.33484	1.2
475.34363	0.9
476.34940	1.4
477.35791	16.8
478.36203	2.3
480.34622	10.6
481.34732	2.0
493.35037	1.0
494.36127	36.1
495.36887	100.0
496.37225	13.3
537.37872	3.6
538.38489	0.7
549.37823	0.6
639.41107	31.9
640.41614	5.6
657.42181	47.7
658.42401	8.4
699.43188	30.5
700.43732	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	900.2929
Annotation	Unknow
Peak:m/z	Relative Intensity
68.01284	23.7
69.36026	17.3
71.01258	24.5
73.02820	5.3
83.01241	3.0
85.02812	10.8
90.25905	2.3
101.02319	12.1
102.94352	2.5
110.02345	20.6
113.02347	11.4
124.04020	2.2
126.19302	2.0
131.03656	4.0
133.01276	2.5
135.04408	6.6
147.04405	31.5
158.06018	8.9
161.04431	22.6
188.05537	5.2
189.05508	4.7
203.05536	23.4
230.06656	100.0
231.06996	3.3
249.77975	2.6
257.67215	2.6
261.49121	2.2
276.08768	22.2
294.09747	3.8
312.09702	3.0
327.12387	7.7
336.10751	15.4
339.12158	5.8
433.01193	2.4
508.07843	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	900.3781
Annotation	Unknow
Peak:m/z	Relative Intensity
67.09556	1.3
67.32795	1.2
71.49063	1.8
72.00773	2.5
73.03951	2.3
74.02329	1.4
93.64339	1.2
99.01885	8.0
106.04120	2.1
107.04918	2.7
115.08625	1.6
119.04916	20.9
131.03659	4.0
134.06024	5.7
136.07544	2.1
137.03450	2.0
141.06619	2.5
147.52573	1.2
153.06609	7.0
155.08051	1.2
162.05423	2.9
163.03963	7.0
172.10783	3.9
180.06586	34.1
181.06863	1.2
188.07123	4.0
193.09761	2.0
200.10757	1.3
219.07608	1.7
226.15471	1.6
244.09689	6.8
263.13959	2.0
282.11411	7.9
292.16797	1.3
299.13968	1.6
398.20984	1.3
492.32025	1.6
584.58765	1.2
634.36462	1.2
648.30133	7.1
649.30463	1.5
681.71277	1.3
791.53406	1.3
837.38281	100.0
838.38550	23.8
872.38550	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	899.4636
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01251	16.2
72.99175	1.4
73.02822	1.2
75.00745	1.2
83.01262	5.6
84.88021	0.7
85.02824	2.0
87.00748	32.8
89.02313	2.0
89.77904	0.8
91.23371	0.8
93.43295	0.8
96.09589	0.8
98.20657	2.0
99.00751	1.5
101.02294	1.4
104.34433	0.9
111.00761	5.0
112.53928	0.8
113.02298	1.4
115.00253	56.5
116.00613	1.1
124.78410	0.9
127.00227	0.9
139.00278	8.3
157.01337	8.0
175.02391	100.0
176.02695	2.7
195.13879	0.9
207.10286	1.0
209.11772	2.1
211.13281	2.5
213.14819	1.1
223.13300	1.9
225.11353	1.2
225.14886	1.8
227.12856	1.3
230.32884	1.0
235.17043	1.6
237.18320	0.9
239.16425	1.8
241.14417	4.4
247.13385	2.0
249.15344	0.8
253.14337	1.0
253.17958	1.1
261.15009	2.6
263.16568	1.5
269.14008	1.4
281.17450	2.1
291.19568	2.5
293.21210	8.2
311.22211	1.8
397.13437	1.6
410.03687	0.9
505.22705	1.4
687.05566	1.0
781.43390	7.6
782.43872	1.6
795.45142	3.5
799.44177	3.2
819.45111	2.4
837.46204	6.1
838.46655	2.0
839.44110	2.3
881.45770	1.9
899.46619	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	899.4643
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99665	1.2
69.03313	2.2
71.01253	19.9
72.99172	12.4
73.02793	4.0
75.00745	42.0
77.13436	0.9
77.99324	0.9
80.96384	3.0
81.03323	1.3
83.01255	2.4
83.04877	1.7
85.02824	8.0
87.00744	18.7
89.02307	4.4
95.01238	1.3
97.02815	2.2
97.06483	1.4
98.20567	3.1
99.00736	4.3
101.02298	5.8
109.02824	6.1
111.00784	2.6
112.98682	3.6
113.02315	4.2
115.00257	34.0
116.00641	1.1
123.04398	3.0
125.02290	1.9
127.03886	3.8
129.01801	1.1
132.30244	1.0
135.02855	5.3
142.99748	2.3
151.03795	1.3
161.04431	2.6
163.11182	1.1
169.04910	2.9
169.12221	6.1
171.10182	15.6
175.02393	49.9
176.02768	1.6
181.12169	1.4
185.11667	1.4
193.12177	2.5
195.13873	5.3
197.11748	43.8
204.59579	1.3
207.10054	1.4
209.11743	1.4
211.13297	4.3
221.11722	3.3
223.13290	4.8
225.11212	1.2
235.08197	3.3
235.13277	2.4
237.11447	1.3
237.14861	1.4
239.12836	8.4
241.14449	6.1
245.11749	2.6
251.12906	1.5
253.09164	9.1
253.14400	2.4
263.12799	2.5
267.12381	5.8
277.21704	100.0
278.22025	10.7
285.13397	11.0
297.13614	1.6
315.14517	1.1
398.81580	1.1
503.21655	5.1
513.30719	2.5
521.22241	3.2
623.49329	1.2
717.42358	1.4
737.40741	2.3
753.44672	1.4
759.42639	2.8
763.42584	2.3
777.41602	5.9
778.41205	1.4
779.42218	12.0
780.08545	1.2
780.42291	2.5
781.43713	97.9
782.44000	22.2
803.41705	3.0
811.44421	7.8
812.44531	1.9
821.43213	17.5
822.44141	5.1
839.44238	10.1
840.44122	1.7
881.45648	1.9
899.46234	2.6
900.44812	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	899.428
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03314	2.5
70.83638	1.3
71.01251	60.6
72.01559	0.8
72.06712	0.5
72.99184	2.9
73.02818	18.9
75.00749	0.9
78.47514	0.6
81.03318	3.4
83.01249	8.3
83.04897	2.9
84.02042	0.7
85.02821	28.8
86.00002	0.6
86.03134	0.8
87.00738	4.3
89.02312	15.9
93.03334	5.7
95.01275	5.2
95.04934	0.6
96.95923	1.0
97.02832	2.9
99.00760	6.0
101.02319	39.8
102.02655	0.7
111.00747	2.1
111.04397	2.2
113.02335	20.4
114.02663	0.6
119.03392	6.9
121.02855	6.1
121.06576	0.8
123.04390	1.8
125.02316	6.5
129.01822	0.7
131.03387	1.5
139.00293	0.7
141.01791	0.8
143.03387	4.0
145.04921	0.8
149.04533	0.8
149.05978	2.6
159.02905	3.0
161.04459	13.6
175.02371	1.2
179.05531	3.8
191.01929	0.6
195.06598	0.7
221.06583	2.2
233.06628	1.0
245.06511	1.5
247.16942	0.7
263.07666	2.0
289.54379	0.6
295.09293	0.6
311.05466	0.7
323.09766	7.1
435.15094	1.2
497.28943	1.3
515.30164	10.1
516.30316	1.2
607.96075	0.6
671.89465	0.6
677.35327	16.8
678.35565	2.3
795.45398	0.9
839.40613	100.0
840.41003	18.5
840.57886	0.7
857.41095	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	899.4644
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01759	1.5
69.03307	1.8
69.49630	3.8
69.50053	3.7
71.00851	1.5
71.01249	32.9
72.99178	14.5
73.02827	4.1
75.00745	46.0
80.96399	1.8
81.03342	1.9
83.01266	3.4
85.02821	11.7
87.00750	36.6
89.02316	5.2
95.01286	1.5
97.02835	5.0
99.00746	6.7
99.04426	1.3
101.02331	7.7
109.02824	6.1
111.00771	2.4
111.04388	1.4
112.98715	6.2
113.02314	6.7
115.00255	74.4
115.03898	2.6
116.00588	1.3
123.04411	5.3
125.02312	2.5
127.00230	1.6
127.03910	5.4
129.01796	1.9
135.02888	8.1
139.00282	3.6
139.03896	1.2
142.99725	4.5
151.03964	1.4
157.01358	1.1
159.02905	1.2
161.04471	1.5
169.04962	4.8
169.12230	6.4
171.10173	26.1
172.10510	1.4
173.00829	2.1
174.01624	2.0
175.02394	100.0
176.02811	2.3
179.10759	1.1
185.11758	3.0
193.12285	3.7
195.13791	3.7
197.11758	41.6
198.12103	1.7
207.10172	2.1
209.11784	2.1
209.15413	1.2
209.29654	0.9
211.13356	8.6
213.14915	1.3
221.11777	2.9
223.13335	3.9
225.11346	1.3
227.12781	1.2
231.05193	1.0
235.08130	2.1
235.13335	2.2
239.12828	6.4
241.10855	1.4
241.14392	5.7
245.11824	3.7
251.12794	1.6
253.09290	7.3
253.14400	2.8
263.12851	3.9
265.10965	1.1
267.12372	5.7
277.21710	82.4
278.19382	0.9
278.21948	5.4
285.13419	14.0
297.13345	1.7
503.21390	6.9
513.30273	2.2
521.22339	3.7
619.39087	1.0
652.37518	1.1
737.41553	2.9
763.42676	2.2
765.43903	1.4
777.42212	4.7
779.42065	7.4
781.43726	66.6
782.44019	14.0
798.87994	1.3
803.42566	3.8
811.44781	3.1
821.43164	14.9
822.43964	3.2
839.44238	4.3
871.06763	1.2
899.45789	6.1
900.46313	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	898.3918
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01254	100.0
71.50042	45.2
96.36953	34.7
96.95923	58.1
137.22389	31.7
149.60043	34.1
149.79146	30.8
211.13312	71.4
218.95963	33.1
323.52621	34.3
365.25995	41.9
629.05737	40.0
931.10590	40.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	899.2826
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01231	0.6
71.20023	0.9
71.48616	0.6
109.02818	0.9
126.57005	0.7
133.02834	4.6
133.05595	0.6
133.06544	0.6
135.04422	0.6
139.60187	0.5
149.02252	0.7
163.03848	0.8
175.03864	1.3
177.01790	1.1
177.05405	1.1
203.03516	0.7
223.07634	0.6
267.06482	0.6
295.82886	0.5
297.04059	1.5
298.04901	4.8
299.05576	2.0
309.03864	0.6
310.04865	0.9
311.05652	3.3
312.06366	4.1
313.07153	4.3
323.05838	0.7
325.07129	1.2
327.05038	2.6
339.05075	6.9
341.06662	2.4
344.29083	0.6
353.06668	2.4
357.06018	1.2
367.04782	0.6
369.06107	22.0
370.06445	2.2
381.06161	3.3
399.07202	23.7
400.07330	2.6
411.07144	2.9
423.06973	1.0
429.08157	4.4
441.08273	3.6
459.09344	7.6
460.09644	0.7
473.11053	2.6
473.16898	0.6
489.10233	1.3
503.12000	1.4
545.13135	1.2
563.14026	100.0
564.14355	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	899.4277
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01769	1.0
68.99693	0.6
69.03325	2.4
69.24928	0.6
70.83562	1.0
70.83891	1.4
71.01253	64.7
72.01612	0.8
72.99171	2.9
73.02817	16.4
75.00760	0.8
79.55978	0.8
81.03313	2.4
83.01254	9.7
83.04913	3.9
85.02822	29.5
87.00758	4.4
89.02308	14.6
95.01263	5.3
97.02826	4.5
99.00752	7.1
101.02323	39.6
111.00747	2.7
111.04420	4.7
113.02328	21.4
115.00227	1.0
119.03382	6.7
125.02333	7.7
129.01817	2.2
131.03397	2.2
141.01805	0.9
143.03439	4.0
143.04393	0.9
159.02917	3.4
161.04468	16.8
166.86009	0.7
179.05521	2.5
221.06583	2.5
245.06612	1.0
263.07687	2.3
323.09775	5.3
327.21933	0.8
370.04193	0.6
371.22247	0.8
446.04648	0.7
471.31638	0.8
506.47079	0.9
515.30121	7.0
543.08203	0.7
677.35394	24.1
678.35846	4.0
758.48639	0.7
839.40649	100.0
840.41016	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	898.3623
Annotation	Unknow
Peak:m/z	Relative Intensity
70.89600	4.1
70.89925	6.5
71.81802	3.2
74.02371	5.8
80.42559	3.2
83.26397	2.8
87.19781	3.3
99.01890	3.9
116.04936	3.2
119.04901	13.0
121.38490	2.9
125.07034	3.1
133.06465	4.5
148.07526	3.8
169.00175	3.0
172.10866	10.5
180.06535	7.9
186.05527	3.7
202.12210	3.7
263.14008	11.3
266.96478	2.8
308.16125	8.7
328.65073	3.3
342.18332	6.1
342.90167	3.8
403.19543	15.8
509.27371	7.5
604.31549	3.5
619.01514	3.0
625.64423	3.4
648.30280	73.3
649.30475	13.1
835.36798	100.0
836.37073	25.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	898.3624
Annotation	Unknow
Peak:m/z	Relative Intensity
63.76245	5.3
69.61948	17.0
69.62378	21.9
93.03333	9.8
99.01851	9.6
113.82466	5.5
119.04897	41.6
120.50735	5.6
126.25792	6.0
134.06021	15.8
153.06549	6.9
163.03903	15.4
172.10854	9.5
180.06601	62.2
252.67360	5.1
282.11292	22.2
525.99713	6.8
648.30365	100.0
649.30664	13.5
835.36713	66.2
836.36401	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	895.4178
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03317	3.5
71.01252	100.0
72.99165	3.0
73.02810	2.5
78.95796	3.4
81.03333	2.0
83.01239	2.3
83.04897	1.7
83.93875	1.7
85.02808	6.9
87.00745	7.4
88.98656	2.9
89.02314	17.2
97.02824	7.8
98.20567	4.9
99.00773	3.4
101.02303	15.3
106.94328	1.7
109.02814	1.9
109.06472	16.1
113.02340	9.9
119.03366	6.0
121.53618	1.5
122.28699	1.9
125.02307	5.8
125.09541	3.2
135.08115	2.0
143.03389	3.6
151.82289	2.0
161.04417	3.2
163.11171	8.7
164.90826	1.6
171.10165	7.5
179.05534	3.9
181.12247	3.9
183.13803	6.4
191.92888	1.7
193.12209	2.0
199.09518	2.7
199.13364	2.4
201.11246	4.7
207.10222	42.7
209.11781	11.9
211.13321	71.2
212.13617	4.4
221.06784	2.0
225.11253	26.2
227.12802	6.8
235.08194	6.0
243.12408	2.0
273.60114	1.7
305.08966	1.7
306.01147	1.7
391.24838	3.1
397.13489	28.2
401.23337	6.5
415.14563	8.2
419.24399	4.1
486.04382	2.1
623.25385	4.8
799.37769	10.2
800.38336	2.5
817.38922	23.9
818.38922	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	895.4182
Annotation	Unknow
Peak:m/z	Relative Intensity
63.63131	1.8
68.99687	1.8
69.03302	2.5
71.01253	100.0
71.50542	3.0
72.35054	2.0
72.99182	2.1
73.02814	5.1
78.95747	5.0
81.03310	2.3
83.01251	5.0
83.04909	3.3
85.02821	6.4
87.00742	5.0
89.02304	18.5
94.82356	2.3
97.02822	4.5
99.00756	3.6
101.02309	14.6
102.21952	2.2
103.99371	2.0
109.06460	14.1
113.02300	10.7
119.03378	4.6
121.06498	2.4
125.02336	8.0
143.03351	2.2
161.04506	3.2
163.11200	9.9
164.19008	2.0
169.82080	2.0
171.10146	7.6
179.05510	6.5
181.12221	3.6
183.13795	5.2
193.12199	2.0
199.13216	3.5
201.11234	6.5
207.10188	38.4
208.10564	3.8
209.11713	12.7
211.13326	81.6
212.13722	6.7
221.06474	2.3
225.11240	25.8
227.12769	8.7
235.08150	5.7
243.12405	2.3
251.12891	3.3
267.76898	2.1
288.25497	2.3
291.19437	2.4
309.20624	2.6
330.53821	2.7
383.22235	4.1
386.89319	2.4
397.13361	27.7
401.23224	6.2
415.14828	9.9
419.24484	3.8
447.80081	2.4
496.23502	2.3
623.25482	5.2
771.37842	3.6
799.37738	14.5
817.38361	22.1
818.38751	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	891.3291
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02266	0.2
65.00181	0.2
69.57159	0.2
69.57488	1.2
69.58391	0.2
71.01255	0.4
77.03829	0.5
79.01749	0.3
83.01250	0.4
89.99448	0.2
93.03325	0.2
97.02800	0.3
98.20536	0.2
105.03336	0.4
107.01284	0.4
109.02836	1.2
117.64027	0.2
119.04900	0.9
121.02855	1.3
123.00733	0.2
123.04436	0.2
125.02328	1.0
133.02843	8.6
134.03593	0.2
135.04402	0.8
137.02307	0.4
147.04402	0.8
148.01591	0.2
148.04776	0.2
149.02342	1.3
151.00249	0.4
151.03917	0.5
161.02351	1.3
163.00262	1.3
163.03909	2.4
165.01855	1.5
173.02380	0.5
175.03915	2.2
176.04282	0.2
177.01797	0.6
179.03441	0.2
187.03973	0.2
189.01819	0.3
189.05515	0.3
191.03424	1.5
193.01334	1.3
197.06088	0.3
198.03134	0.4
199.03934	1.2
200.04445	0.2
201.01848	0.8
203.03391	0.3
211.03918	0.4
211.07494	0.2
212.04648	0.5
213.05592	1.0
217.04955	0.4
225.05537	0.7
226.06236	0.2
227.03395	0.5
227.07086	0.5
229.04959	0.2
231.06529	0.4
240.04134	0.8
241.04997	0.8
242.02248	0.2
243.02811	0.5
251.03339	0.3
253.05093	1.0
255.03072	0.5
255.06584	0.6
256.03754	0.4
257.04520	0.3
259.06128	0.3
267.06570	0.2
268.03696	0.3
269.04565	1.0
270.05020	0.2
271.06137	0.4
271.80139	0.2
281.04498	0.5
282.05356	0.2
284.03268	7.9
285.04013	5.9
286.04343	0.3
297.04037	11.7
298.04767	7.5
299.05591	15.8
300.06015	1.1
309.03903	0.7
311.05667	1.5
324.02658	0.3
325.03592	0.5
327.05081	76.3
328.05441	6.1
339.05133	2.5
340.05844	0.2
341.06659	0.6
357.06146	15.1
358.06470	1.5
369.06085	0.9
377.06738	0.5
395.07666	0.5
413.08707	0.2
431.09802	100.0
432.10147	10.7
459.09457	0.3
705.73688	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	895.1938
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00214	0.4
71.50108	0.4
71.52974	0.3
74.42307	0.3
77.03863	0.3
80.44682	0.3
80.88297	0.3
83.01214	0.5
104.50468	0.3
107.01215	0.4
109.02837	1.3
113.28236	0.3
116.48708	0.3
117.99840	0.3
119.04890	0.3
121.02833	0.8
125.02328	0.7
132.02100	0.3
133.02832	8.8
134.03563	0.4
135.00735	0.4
135.04411	0.7
139.27983	0.3
147.04485	0.4
149.02338	0.9
151.00255	0.7
161.02330	1.6
163.00238	2.0
163.03952	1.4
165.01851	1.2
173.02240	0.3
175.03944	2.1
176.70119	0.3
177.01831	0.7
191.03418	0.7
193.01399	0.6
199.03915	0.9
201.01878	1.1
203.03448	0.9
210.25613	0.3
211.04012	0.6
213.05481	1.1
217.05020	0.6
218.38190	0.3
225.05452	1.2
227.03450	0.8
227.07127	0.3
229.05113	0.4
239.03578	0.4
240.04204	0.7
241.04997	1.3
243.03026	0.4
253.05040	1.3
254.05624	0.5
255.02954	1.1
255.06496	0.6
269.04453	1.5
270.05197	0.4
281.04578	0.4
284.03278	5.8
285.04022	13.0
286.04352	0.9
297.04022	18.3
298.04779	13.7
299.05545	11.1
300.05792	0.8
309.04068	0.6
311.05582	4.5
312.05872	0.4
324.02631	1.2
325.03717	1.6
327.05075	54.7
328.05316	4.1
330.03638	0.4
339.05072	6.2
340.05511	0.3
341.06531	1.2
351.04916	0.3
357.06137	43.4
358.06448	3.9
365.06638	0.4
369.06247	2.5
381.06177	0.4
387.07181	0.9
388.41394	0.3
393.06299	0.6
399.07321	0.9
411.07159	0.6
429.08185	4.6
430.08530	0.5
447.09296	100.0
448.09604	10.0
754.86664	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	889.4797
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98707	1.8
69.17904	2.2
69.18321	6.6
71.01253	18.9
72.99173	1.4
73.02828	2.6
78.95780	2.1
81.03327	1.0
83.01269	2.2
85.02827	3.4
87.00737	5.5
88.96158	0.8
89.02314	12.1
95.01302	1.2
97.02814	3.0
101.02320	13.0
102.75080	0.7
113.02340	6.9
113.21941	0.8
119.03400	3.3
121.02836	1.1
125.02354	7.1
125.09664	1.1
127.03847	0.8
127.11204	2.1
143.03375	2.3
152.99463	1.6
161.04436	3.6
167.23036	0.8
171.10173	100.0
172.10529	3.7
176.97597	0.8
179.05495	3.0
212.80272	0.8
215.15947	0.8
217.07147	1.5
221.06757	1.7
235.08255	4.8
245.04323	0.8
253.09258	0.9
259.08279	1.3
277.21704	55.3
278.22012	4.5
287.07800	2.3
305.08862	2.5
323.09882	1.4
360.27667	1.0
379.12393	13.9
397.13461	42.0
398.13806	3.0
415.14328	7.0
444.80838	0.8
481.25998	1.9
551.23059	3.4
569.24091	4.0
657.34741	1.9
675.35712	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	889.4797
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98709	1.2
69.03351	1.4
70.66600	2.5
71.01250	20.7
72.50475	0.8
72.99162	1.2
73.02812	3.8
78.95762	1.0
81.03333	1.6
83.01268	1.0
85.02818	4.4
87.00764	6.3
89.02319	15.0
95.01284	2.3
97.02837	3.0
101.02311	13.6
110.37196	0.9
111.04467	0.9
113.02340	7.3
119.03374	3.0
125.02312	8.1
143.03372	3.1
152.99533	1.0
155.94879	0.8
161.04454	3.4
171.10172	100.0
172.10596	4.4
179.05508	3.8
217.07101	1.3
221.06583	1.7
235.08199	5.9
253.09402	1.0
259.08072	0.9
277.21713	66.4
278.22079	4.9
287.07712	2.4
295.31982	0.9
305.08731	1.4
313.07516	1.0
323.09824	1.7
379.12473	15.1
380.12704	1.5
397.13480	48.4
398.13809	2.1
415.14490	9.6
551.23224	2.7
569.24530	2.7
675.35767	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	887.4066
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03293	0.1
69.18794	1.1
69.33021	0.1
83.04891	0.2
85.02811	0.2
87.04389	0.3
95.04865	0.1
107.31569	0.1
111.99975	0.1
113.05952	0.5
151.11227	0.3
189.12698	0.1
191.14279	0.2
204.93175	0.1
217.12218	0.1
221.15443	0.1
229.15871	0.2
231.17488	0.8
241.15910	0.2
243.17496	0.2
247.16890	0.2
255.17572	0.6
257.15439	0.2
257.19025	0.5
271.17163	0.6
273.18445	0.6
275.20029	0.3
285.18576	3.4
286.18900	0.3
287.16449	0.3
287.20181	0.5
293.21686	0.1
303.19653	1.2
304.19983	0.2
305.21201	1.2
319.19025	0.1
331.19147	1.8
332.19580	0.1
349.20190	0.8
365.19601	1.7
366.19836	0.2
367.21213	100.0
368.21555	10.8
368.26462	0.3
392.25864	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	887.5376
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98695	3.7
64.94292	0.6
69.03307	0.9
71.01245	5.2
71.50389	1.1
72.99154	1.3
73.02814	0.7
74.67823	0.6
78.86582	0.6
83.01272	1.2
83.04884	0.6
84.02040	11.6
85.02357	0.6
85.02819	1.7
85.92210	0.7
87.00748	1.7
88.98668	0.8
89.02309	3.0
95.01282	0.9
96.95881	1.6
97.02824	7.3
97.06458	2.3
99.04424	3.0
101.02312	4.0
113.02319	2.7
113.09595	0.7
113.26025	0.6
115.00220	1.5
115.07543	1.0
119.03364	1.1
119.08530	1.1
125.09575	1.1
127.11176	0.8
133.11021	0.7
133.23044	0.7
134.54297	0.6
135.08060	0.9
137.09613	1.8
148.66257	0.6
153.09151	0.8
155.65536	0.6
161.04446	1.6
163.07579	1.1
165.12733	1.3
171.10181	46.8
172.10526	1.6
175.02365	1.9
177.12846	0.9
179.05583	1.1
181.12201	1.5
193.12242	2.5
195.13788	1.8
209.11763	0.9
211.13371	2.7
221.15370	0.9
225.14894	2.8
241.14340	1.4
243.16020	1.4
247.20662	2.5
253.09253	17.3
253.14589	0.8
273.18607	1.9
281.21173	1.0
291.19659	31.2
292.20081	3.2
309.20694	71.8
310.21103	6.3
341.23300	100.0
342.23630	8.8
438.02899	0.8
545.29620	44.8
546.29852	6.6
673.31873	0.7
681.41998	0.8
767.31378	0.8
887.36426	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	887.2977
Annotation	Unknow
Peak:m/z	Relative Intensity
66.68400	0.4
71.01237	1.0
71.49755	0.5
77.03851	0.5
79.01753	0.8
83.01225	0.5
85.02806	0.5
89.02336	0.8
95.01231	0.5
96.95871	0.6
101.02309	0.5
107.01209	0.4
107.94271	0.4
109.02839	2.1
112.42389	0.4
113.02331	0.4
117.03348	0.6
117.16377	0.3
119.04927	0.7
121.02826	1.7
123.00742	0.6
125.02333	0.7
133.02849	13.1
135.00790	0.5
135.04424	1.0
141.19566	0.3
147.04430	0.7
149.02289	1.2
151.00279	1.0
151.03883	0.5
161.02344	3.5
163.00252	5.2
163.03937	2.1
165.01814	2.2
175.00197	0.5
175.02571	0.5
175.03836	2.0
177.01985	0.4
179.03406	0.4
187.04045	0.4
189.01843	1.2
190.53954	0.3
190.99771	0.9
191.03452	0.6
193.01393	0.8
197.06071	0.5
199.03922	1.1
201.01816	1.3
207.02989	1.7
211.03986	0.9
212.04486	0.4
213.05461	0.9
225.05450	1.5
226.02835	0.5
227.03429	1.3
229.04979	0.4
231.06580	0.4
240.04118	0.4
241.04990	1.0
253.05048	2.7
255.02963	2.5
256.03708	0.5
257.04556	1.2
269.04529	2.7
270.05087	0.4
275.05609	0.5
279.03082	0.4
281.04645	0.6
284.03271	3.8
285.04028	12.8
286.04364	1.1
297.04022	34.1
298.04678	6.6
299.05597	21.7
300.05850	1.9
301.03522	2.3
311.01660	0.5
311.05698	1.1
313.03464	1.3
324.02698	0.6
325.03510	25.3
326.03876	3.4
327.05084	34.0
328.05386	2.6
339.04935	1.0
341.02936	0.5
343.04559	100.0
344.04871	7.8
345.05280	0.5
355.04492	1.6
355.51050	0.4
357.06085	0.7
360.07376	0.5
383.07510	0.5
411.07202	5.2
412.07352	0.4
429.08231	30.2
429.20825	0.9
430.08600	3.4
538.68262	0.4
657.59106	0.4
787.06262	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	885.485
Annotation	Microtoenin A
Peak:m/z	Relative Intensity
61.98700	30.0
69.03329	2.4
69.46059	7.3
71.00854	1.4
71.01250	23.5
72.99174	2.4
73.02813	2.9
78.95751	1.5
79.95611	1.8
80.96384	5.9
81.03353	1.0
83.01244	3.3
85.02821	6.5
87.00735	4.9
89.02319	14.3
94.97956	1.1
95.01260	1.5
97.02815	3.7
99.00737	3.1
101.02319	15.1
111.08049	1.2
111.37527	0.8
113.02320	8.9
115.00236	1.0
119.03391	4.4
125.02317	5.6
131.03419	1.0
138.68837	0.8
139.03923	0.8
143.03410	1.0
161.04489	2.0
163.11075	1.3
164.98537	0.9
165.12735	6.6
175.02325	0.8
179.05540	2.3
183.13820	55.6
184.14146	4.1
199.13306	1.6
209.11752	6.5
210.56024	0.8
221.06619	3.5
225.00652	2.3
226.03287	0.9
227.12788	4.6
235.08203	3.0
260.33554	1.1
277.21704	58.7
278.22064	5.7
287.07581	0.9
379.12326	2.7
397.13440	13.4
398.13803	1.0
415.14532	2.8
486.53174	0.9
607.26276	1.4
625.26971	2.0
885.48407	100.0
886.48737	24.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	886.2777
Annotation	Unknow
Peak:m/z	Relative Intensity
66.48738	0.3
71.01257	1.5
71.50827	0.5
73.02811	2.8
83.01234	0.7
89.02383	0.3
91.05391	0.6
98.98467	0.3
101.02316	2.2
101.03824	0.3
113.02350	0.9
116.04955	1.8
118.06515	100.0
119.06870	4.5
133.06517	0.6
137.28658	0.3
149.04431	0.5
160.07588	12.1
161.04488	1.0
161.07916	0.6
162.05540	1.2
166.44725	0.3
176.22540	0.2
180.06618	0.6
204.06596	0.4
248.05611	6.0
249.05945	0.5
263.07190	0.4
268.11420	0.3
281.08191	0.7
308.10483	0.4
309.07629	3.2
310.08011	0.6
323.09241	0.7
324.09976	2.3
339.12369	7.1
340.12891	0.9
502.10162	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	886.5216
Annotation	Unknow
Peak:m/z	Relative Intensity
62.96277	0.3
64.00179	0.1
69.34269	0.4
69.34689	0.8
78.95773	58.7
96.96839	6.5
140.01083	1.5
150.96852	0.2
150.97932	2.1
152.99486	100.0
153.99828	1.2
171.00551	3.9
188.45935	0.1
196.03735	2.5
198.00967	0.1
214.04803	0.6
255.23257	25.8
256.23596	1.8
266.76324	0.2
279.23212	0.8
372.10168	0.1
433.23566	34.5
434.23856	2.8
449.66901	0.2
452.27808	20.1
453.28116	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	885.485
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98698	5.2
71.01251	21.5
71.31094	1.2
72.99155	1.7
73.02819	3.5
78.95797	1.0
79.49272	0.7
80.92983	0.9
80.96404	2.2
83.01268	1.1
85.02823	4.7
87.00736	3.5
89.02309	16.2
95.01263	1.6
97.02811	2.5
99.00742	2.0
101.02322	14.5
112.96722	0.8
113.02319	6.5
119.03373	2.6
125.02351	4.3
143.03345	2.3
161.04472	1.9
161.07486	1.2
165.12732	6.5
175.02388	1.1
179.05502	2.3
183.13826	67.2
184.14117	3.3
209.11731	2.0
213.62137	0.8
221.06503	3.3
225.11243	1.1
227.12875	5.7
235.08195	3.0
265.14090	0.9
277.21713	29.5
278.22070	2.4
305.91882	0.8
347.73322	0.8
379.12360	1.3
397.13492	11.4
400.48767	0.8
415.14429	2.7
419.45724	1.2
538.16364	0.8
580.16418	1.0
607.25970	2.2
625.27014	2.4
885.48480	100.0
886.48737	23.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	885.3546
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98696	12.0
71.01231	4.4
71.50393	1.9
73.90323	1.2
74.95439	1.2
78.54996	1.4
78.95764	1.7
80.58785	1.2
84.15937	1.1
85.02797	2.9
85.82321	1.2
87.00749	2.1
88.98646	3.2
89.02330	2.4
91.05379	2.1
91.67607	1.2
93.03320	5.3
96.95893	2.1
98.96814	1.5
99.00704	1.3
102.83182	1.1
111.00843	1.6
115.00256	4.1
117.03338	12.4
119.04884	2.7
133.02831	1.3
135.04382	7.3
149.02243	2.0
150.74695	1.3
159.04460	1.7
161.02293	6.5
163.03862	4.4
175.02335	7.4
175.03870	4.0
177.01762	3.8
177.05452	5.0
189.01901	2.0
189.05505	1.6
191.03404	5.2
203.03465	3.6
205.04976	1.7
211.13289	3.5
221.04433	2.2
233.04387	2.3
237.05452	1.6
251.07057	3.2
253.08716	1.5
266.05569	1.4
267.06543	1.5
269.04669	1.6
281.04480	3.3
282.05222	4.3
283.06018	9.6
295.06088	9.9
296.06714	5.8
297.04208	2.1
297.07629	37.7
298.07761	2.9
307.06067	6.7
309.04111	1.6
309.07632	5.4
311.05579	10.2
312.05963	2.5
314.04245	1.9
323.05716	7.6
324.06201	2.7
325.07120	18.7
326.07541	3.0
328.05832	6.7
335.05466	3.0
337.07034	7.9
341.06445	1.7
353.06662	90.0
354.07098	9.2
355.07907	2.8
356.05197	2.6
365.06613	10.8
383.07706	52.8
384.07831	5.0
395.07516	6.8
413.08798	9.9
425.08795	1.8
455.09378	2.6
473.10858	100.0
474.10938	10.0
503.12009	11.6
504.11710	2.3
765.31116	14.4
766.31891	2.8
795.33380	3.4
885.35260	54.2
886.35571	15.5
910.51459	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	883.4699
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98710	23.8
69.03310	2.1
71.01258	75.3
71.50269	2.0
72.99193	4.8
73.02827	23.7
78.95799	2.1
79.52324	1.7
83.01263	16.4
85.02824	41.7
85.06450	1.7
87.00773	4.9
89.02318	11.7
90.98479	1.8
95.01273	7.2
96.95880	6.5
97.02792	2.2
99.00781	8.3
101.02322	46.8
111.00759	4.9
113.02323	32.6
115.00256	3.0
119.03366	3.4
125.02335	3.1
143.03387	2.5
150.06778	1.9
159.02863	2.9
161.04507	8.7
174.01726	1.8
175.02420	4.5
181.46844	2.0
355.21988	1.8
381.13824	1.7
404.86642	1.8
457.93082	1.7
459.14926	1.6
473.36176	6.9
494.50891	1.7
553.44421	1.9
587.23401	2.4
617.40070	2.1
635.38660	3.3
679.40668	2.2
769.33386	4.2
779.45898	100.0
780.46179	28.1
797.46875	47.2
798.47675	9.7
839.48016	46.2
840.48309	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	885.2666
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01751	1.2
68.99685	0.8
71.01247	7.1
71.03557	0.7
71.03882	0.6
72.99191	1.5
73.02813	1.9
75.00742	1.4
78.49777	0.5
83.01254	13.5
84.02035	2.4
85.02818	100.0
86.03158	2.0
87.00790	0.7
101.02316	5.0
103.03898	0.7
109.02855	1.2
111.00761	40.5
112.01114	1.3
115.07523	12.7
129.01822	59.3
130.02156	2.3
133.02811	3.9
143.03381	0.9
155.69696	0.6
159.02966	0.5
161.04440	4.3
171.99347	0.5
173.00797	0.6
175.03876	1.5
177.01852	1.0
183.10201	0.9
187.02409	5.6
201.01929	0.6
203.03404	0.8
205.03456	47.7
206.03812	1.7
212.52620	0.5
223.04514	5.5
267.06677	0.6
283.06094	1.3
295.06290	0.7
297.03915	0.9
298.04773	4.2
299.05463	1.6
303.10742	1.8
311.05511	3.7
312.06332	5.7
313.07108	4.6
321.11884	75.9
322.12152	3.7
323.05569	0.8
325.07071	0.7
327.05252	2.7
339.05005	4.3
340.05585	0.8
341.06561	2.4
344.05573	0.6
351.04926	0.7
353.06488	1.2
357.06137	0.9
369.06113	21.6
370.06369	1.5
371.07767	0.8
381.06192	3.1
399.07184	21.8
400.07568	2.9
411.07083	2.4
413.08905	0.6
423.07486	0.7
429.08334	3.4
430.08786	0.7
441.08188	3.2
459.09305	6.2
460.09714	1.1
471.09433	1.6
473.10822	1.9
503.11469	0.6
545.13342	1.1
563.14008	59.3
564.14355	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	883.4698
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98693	7.9
69.03341	1.3
70.89929	3.8
71.01252	82.2
72.56725	1.5
72.99180	4.5
73.02814	20.9
75.00760	1.6
75.22012	1.4
77.12321	1.3
77.66510	1.6
80.61948	1.3
83.01254	14.9
84.02032	1.5
85.02822	44.5
85.99979	2.7
87.00724	7.4
89.02317	16.7
95.01245	8.4
96.95898	3.2
97.02837	4.0
99.00751	9.8
101.02322	46.7
111.00748	8.5
112.01559	2.1
112.96026	1.3
113.02332	31.8
115.00298	2.4
119.02591	1.7
119.03391	5.4
121.13387	1.6
124.01524	2.5
124.76393	1.4
125.02316	2.8
139.00212	1.8
143.03381	3.0
159.02921	4.6
161.04453	7.0
161.80582	1.3
163.07655	2.0
175.02362	2.9
209.11777	2.0
209.49799	1.5
241.10751	1.4
369.76511	1.3
473.36258	5.7
635.40747	2.4
677.39093	2.0
779.45801	100.0
780.46527	18.2
797.46954	86.9
798.47327	18.0
839.47931	60.7
840.48425	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	883.469
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98700	12.2
67.01752	1.2
71.01249	20.9
72.22680	0.8
72.85779	1.0
72.99176	3.4
73.02795	2.0
75.00739	2.5
78.63547	0.8
79.34433	0.9
80.96407	1.0
83.01252	8.0
84.02035	1.7
85.02826	3.7
87.00742	34.2
89.02316	3.0
97.02827	2.0
97.06469	1.1
98.06276	1.0
99.00774	6.2
101.02303	3.3
111.00750	9.3
112.98719	1.2
113.02325	2.6
115.00250	60.8
125.02336	2.5
125.09601	1.4
126.52554	1.1
129.01799	1.1
139.00270	10.1
141.96329	0.9
152.99510	1.4
157.01317	11.4
161.04546	1.0
163.11140	1.4
175.02391	100.0
176.02727	3.1
181.12257	2.9
207.10207	8.1
211.13254	1.1
223.13152	1.0
225.11288	15.0
225.14804	1.8
235.08118	1.7
235.16977	2.1
239.16570	2.8
241.14429	4.8
243.12276	4.3
247.13376	2.0
253.09250	1.8
253.14262	1.7
255.23473	1.1
261.14880	3.7
263.16464	2.2
269.13995	1.1
277.21713	28.7
278.21973	2.0
281.17624	1.7
289.14398	1.9
307.15375	1.7
313.88989	1.0
397.13687	1.1
571.28888	1.8
605.24457	3.7
623.25604	4.1
765.44336	7.5
779.45343	6.7
783.45557	3.9
803.45862	2.2
821.46716	5.6
822.47668	1.6
823.44574	2.9
883.46503	15.4
884.47119	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	883.3516
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98684	2.1
69.17046	1.7
69.17453	11.0
73.03936	1.7
74.02354	2.7
83.02353	1.2
85.03917	1.0
93.03336	2.5
95.36377	1.0
98.20502	2.5
99.01894	9.6
107.04890	1.4
108.04445	2.8
109.02779	1.9
115.08644	1.7
119.04884	8.2
120.04482	1.8
121.02853	2.4
125.02322	2.1
131.03632	2.8
132.05739	1.4
133.06505	2.4
136.11128	1.3
137.02342	3.0
137.03366	1.7
137.07114	1.7
139.03883	1.6
141.06593	4.0
148.03946	2.2
148.07545	3.4
149.02319	4.1
150.03125	1.7
150.05482	2.1
163.02655	67.6
164.03123	2.6
164.04671	1.2
165.04163	1.9
166.05023	7.0
172.10738	5.5
175.00276	2.0
176.07106	1.6
176.10722	1.9
190.04985	4.4
192.02892	7.0
192.06561	3.7
202.12257	3.0
206.04515	3.0
208.06093	22.3
209.06502	1.6
223.17790	1.4
234.04033	100.0
235.04327	4.4
244.06078	1.4
244.09770	3.3
263.14001	11.0
264.14188	1.2
285.05203	1.4
286.05875	5.1
287.06628	2.0
308.16202	3.3
342.18130	4.2
368.19717	1.7
368.40167	1.3
403.19452	7.9
403.24335	1.7
509.28012	2.9
579.24615	6.2
604.31683	1.7
648.30341	43.6
648.41205	2.6
649.30585	6.8
674.28253	6.4
675.27301	1.3
686.28345	2.2
690.27429	2.2
745.32043	2.0
828.72180	1.3
865.34692	1.7
883.35065	48.7
884.35114	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	883.4684
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98692	4.6
67.01739	0.9
69.03289	0.7
70.08040	1.9
70.08453	1.8
71.01248	18.6
72.99191	2.2
73.02836	1.8
75.00750	1.6
76.91357	0.7
78.95788	1.3
80.96398	1.1
81.03353	0.8
83.01250	6.8
84.02034	1.6
85.02827	3.2
87.00745	32.1
87.09688	0.7
89.02305	1.5
91.90698	0.9
97.02785	1.4
99.00729	5.2
101.02300	2.2
111.00764	6.7
113.02333	2.7
115.00252	58.0
125.02328	1.3
125.09589	1.1
127.00250	1.7
139.00255	8.1
152.99474	1.6
157.01317	11.5
175.02390	100.0
176.02704	3.2
181.12239	1.5
199.13252	1.1
207.10173	5.5
211.13237	1.5
212.13681	0.8
225.11279	8.4
225.14766	1.2
235.08250	1.4
237.14919	1.5
239.16391	1.4
241.14348	4.4
243.12279	2.5
247.13400	2.2
253.09280	1.6
255.15988	1.3
255.23303	1.2
256.77585	0.9
261.14969	3.2
263.16565	1.6
269.13983	0.9
277.21704	24.4
278.21890	2.4
281.17648	1.5
289.14670	1.4
307.15799	1.1
314.00171	0.8
314.83627	0.8
341.34216	0.8
397.13504	1.7
406.98422	0.9
443.63638	0.8
534.26477	0.8
543.24469	1.1
571.28351	1.8
605.23846	1.3
623.25195	1.0
753.44635	1.3
765.44189	6.1
766.44843	1.8
779.46106	6.6
783.45160	2.6
784.44946	0.9
803.45569	3.1
821.46576	5.0
822.48340	1.6
823.44995	2.5
853.44550	1.0
883.46564	10.5
884.46674	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	883.3514
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98697	0.9
70.98564	1.9
71.02367	0.9
72.00765	2.8
73.03938	2.2
74.02354	3.9
82.01598	0.8
82.02855	4.3
83.02390	1.7
93.03307	2.0
94.02848	0.8
99.01878	30.2
107.04903	3.4
108.00816	2.9
109.02827	6.1
109.03928	1.3
110.02356	23.4
110.48997	0.7
111.01877	1.8
113.03445	1.2
115.08643	2.7
118.72441	0.7
119.04903	13.2
121.02853	2.6
121.06481	1.2
122.02372	1.4
122.06037	1.0
123.04425	5.2
123.05264	0.9
125.07095	2.3
128.58058	0.7
132.04457	1.2
132.05717	2.8
133.02809	1.8
133.06451	5.1
134.05994	1.2
135.01895	5.4
135.04379	0.9
137.07101	1.0
139.04985	1.5
139.18204	0.7
141.06596	9.3
144.04420	1.0
145.02832	1.9
146.05998	0.9
147.03189	6.5
148.03951	4.5
148.07576	2.0
149.04727	13.8
149.05896	1.0
150.03023	0.8
150.05505	26.2
154.09801	0.7
155.08154	2.7
159.08018	1.3
160.03926	1.4
162.05476	3.7
163.03841	1.2
164.04674	2.3
165.05467	2.5
172.10834	5.7
173.09702	1.3
174.05493	5.8
176.03406	1.5
176.07071	1.1
176.10709	7.5
177.10190	1.2
179.08195	0.9
179.11786	2.1
181.06073	1.8
185.09619	1.1
187.03877	1.2
187.11166	0.8
189.11490	1.6
192.06583	84.0
193.06946	3.6
200.10750	1.2
202.05086	1.8
202.12294	8.1
205.06136	2.1
205.18365	0.7
210.08760	0.8
212.10672	0.9
213.09196	1.2
214.05103	0.9
217.06033	2.0
217.13443	1.3
218.04445	3.5
219.14906	1.2
221.10512	2.2
226.05028	1.3
230.11838	1.8
237.08765	2.0
244.06113	1.4
244.09779	0.8
246.07655	1.8
246.11319	1.9
247.14500	1.2
259.07706	0.8
259.10773	1.8
261.12369	1.3
263.13983	78.1
264.14182	4.7
269.05527	1.0
272.04126	0.9
274.10880	1.7
285.20108	0.8
290.15082	3.3
291.13449	4.9
296.12866	0.8
303.09845	7.1
308.16177	1.2
311.17606	0.9
329.07663	6.7
329.18762	1.2
334.14078	7.0
335.14279	0.8
350.18182	0.9
358.21320	1.0
368.19839	2.7
385.22534	2.2
386.20679	3.5
441.50858	0.7
492.24951	2.4
496.90009	0.7
535.25476	1.8
536.24225	1.8
553.26825	2.1
579.24561	100.0
580.24908	12.2
595.27032	0.9
636.26483	2.7
646.29224	1.6
664.29718	3.3
672.26642	7.0
673.26917	1.7
690.27747	48.8
691.28070	9.5
806.29700	0.9
839.33582	1.0
865.34375	4.3
866.34430	1.1
883.35187	22.9
884.35492	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	881.4542
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98701	38.8
71.01256	85.0
71.50269	3.9
72.99175	12.1
73.02821	17.2
75.00738	2.6
82.27716	2.6
83.01249	14.5
85.02822	41.6
87.00758	13.0
88.98683	3.7
89.02320	37.4
95.01276	9.6
96.95882	3.9
97.02865	3.1
99.00742	7.2
101.02324	42.5
111.00761	75.6
112.01059	3.9
113.02325	39.1
114.02636	2.9
115.00238	8.4
116.92711	2.8
119.03368	11.4
125.02345	4.0
129.01823	3.0
135.02956	3.4
142.05363	3.3
143.03419	4.7
161.04494	4.5
173.00850	12.2
175.02457	13.4
179.05519	3.4
209.11731	6.6
211.13393	5.2
240.09277	2.7
304.19730	2.7
431.93677	2.9
441.33594	5.0
776.15686	3.0
777.44232	100.0
778.44592	22.3
795.45288	97.6
796.45343	18.2
837.46472	62.2
838.47107	17.2
881.37866	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	879.1986
Annotation	Unknow
Peak:m/z	Relative Intensity
61.50951	1.3
63.40968	1.3
71.08321	2.7
109.02850	2.1
125.02320	1.7
133.02826	8.8
135.04402	1.7
135.72322	1.3
137.02319	1.9
149.02306	6.9
150.03168	2.4
151.00203	2.0
161.02335	2.7
163.00273	2.3
165.01781	2.7
165.05542	2.3
177.01846	3.1
179.03357	1.8
179.07111	1.5
193.01341	1.7
195.06558	2.5
207.02887	1.9
215.24324	1.4
241.05008	2.0
284.03329	4.2
285.04111	7.1
297.03964	12.0
298.04800	9.2
299.05435	4.2
300.02719	2.5
301.03519	3.2
311.05521	2.3
313.03500	7.1
314.04297	4.4
315.05066	2.5
325.03281	1.3
327.05109	30.8
328.05365	3.1
339.05072	3.3
341.06732	1.2
343.04565	27.7
355.04529	2.5
357.06186	19.9
358.06320	2.8
373.05658	21.3
411.07205	1.6
413.09021	2.7
429.08154	3.9
431.09793	68.1
432.10120	7.4
446.08347	1.6
447.09274	100.0
448.09631	12.8
717.28052	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	881.372
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98700	2.8
71.02364	3.5
71.51103	1.7
71.51490	1.7
72.00757	2.7
72.52223	1.6
73.03939	4.3
74.02342	7.9
83.02379	2.3
99.01892	15.1
104.93644	1.6
106.04144	2.2
107.04893	2.4
111.01875	2.3
111.05515	2.0
115.08637	5.3
119.04917	20.8
125.07084	2.8
131.98950	1.7
132.05809	2.2
133.06470	6.5
136.01546	1.7
137.07053	2.2
141.06596	6.3
146.02431	3.2
146.06030	2.0
147.03143	6.3
147.04274	2.0
147.08011	2.2
148.07611	3.6
149.04729	3.4
150.05312	1.8
155.08177	2.4
162.13763	1.9
164.04662	2.0
172.10825	13.3
176.07123	2.0
176.10783	3.1
185.09686	2.2
186.34050	1.7
192.06622	2.8
200.10802	5.2
202.12292	7.7
217.03751	5.7
217.13292	2.7
218.04547	3.5
232.06178	2.2
244.09697	1.9
247.14484	4.3
263.13983	18.8
308.16180	10.1
342.18027	5.1
358.17850	2.9
368.19958	2.0
385.18564	2.2
403.18915	8.5
403.23697	6.6
476.19623	1.9
604.30975	3.3
610.11578	1.8
648.30322	100.0
649.30865	19.4
800.71265	2.2
881.37262	67.6
882.37524	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	875.5292
Annotation	Unknow
Peak:m/z	Relative Intensity
62.75103	0.3
62.96271	0.3
67.83604	0.4
70.57078	0.3
71.41529	0.4
72.40399	0.4
78.95772	74.8
79.39779	0.3
80.31955	0.3
83.73129	0.3
94.65332	0.3
96.96838	6.2
116.92732	0.4
150.97896	1.9
151.46498	0.4
152.99481	100.0
153.99850	1.2
157.78516	0.3
171.00513	2.2
177.27686	0.4
279.23239	1.7
326.32019	0.4
378.25635	0.4
433.23578	61.2
434.23935	6.1
632.46747	0.4
633.64331	0.4
745.28369	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	873.3598
Annotation	Unknow
Peak:m/z	Relative Intensity
61.38321	2.5
71.51859	2.7
72.00797	2.8
72.51460	2.3
73.03916	2.7
73.88220	2.4
74.49574	2.9
85.02851	3.0
93.03358	11.0
99.01908	15.4
119.04927	36.7
131.03624	8.5
134.05984	9.7
141.06664	2.8
152.72951	3.0
153.06625	15.3
162.05528	5.2
163.03912	9.2
172.10770	6.0
180.06578	37.9
188.07108	3.9
193.09782	3.9
197.75764	3.2
200.10785	4.2
244.09752	11.3
248.47919	3.1
263.13983	4.6
282.11496	13.4
299.13953	5.7
378.55563	2.8
379.28189	3.0
403.19101	3.6
403.24033	3.5
529.18542	3.3
601.22968	3.9
648.30414	7.9
837.38202	100.0
838.38702	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	875.5288
Annotation	Unknow
Peak:m/z	Relative Intensity
63.80635	0.6
65.34222	0.5
70.71063	1.7
70.93456	0.5
78.95772	71.0
82.52104	0.5
87.50069	0.5
94.92341	0.6
96.96841	5.8
125.60227	0.5
150.97934	1.6
152.99486	100.0
153.99854	1.5
163.80162	0.6
171.00569	2.7
279.23254	1.7
304.72586	0.6
433.23572	54.8
434.23962	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	875.5288
Annotation	Unknow
Peak:m/z	Relative Intensity
70.68945	0.8
78.95776	61.2
79.63535	0.3
96.96836	7.3
150.97917	1.9
150.98926	0.4
152.99489	100.0
153.99791	1.6
171.00551	3.5
186.19287	0.4
232.24445	0.5
267.64444	0.4
279.23273	1.2
313.91614	0.4
380.96988	0.4
433.23581	40.1
434.23883	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	871.5056
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98682	1.2
69.16436	2.7
69.16868	1.4
71.01244	4.1
71.04898	0.8
72.02009	0.7
73.02804	0.7
75.00694	0.6
78.95773	0.8
80.02549	0.8
81.03294	0.8
83.04906	3.3
84.02029	1.5
85.02797	1.5
89.02301	0.8
90.51190	0.4
95.04894	1.3
96.95883	0.9
97.02842	0.5
97.06432	1.2
98.03611	0.5
99.04391	0.8
99.08027	2.2
101.02308	0.7
105.49603	0.4
108.02060	0.5
109.06446	1.4
111.08035	0.9
112.05190	1.1
113.02303	0.4
115.07500	1.6
119.04865	0.4
123.08054	0.6
125.05972	0.5
125.09608	3.7
127.07550	8.5
127.11196	0.6
135.04497	0.4
135.08032	0.8
137.09592	1.1
139.07542	2.1
141.09088	0.8
141.12723	0.5
143.45926	0.4
145.16420	0.4
153.09111	7.2
154.79498	0.4
155.10649	2.2
163.11217	3.9
165.12778	2.7
171.10162	8.3
177.12895	0.4
178.09901	2.3
179.10648	0.6
181.12285	0.9
185.11758	12.2
186.12146	0.6
191.10703	1.0
191.14331	1.1
197.09978	0.8
197.11754	12.1
198.12093	0.9
207.10181	0.9
209.11768	49.8
210.12079	2.6
211.13330	0.9
225.10944	0.4
227.12819	0.8
236.10565	0.9
238.12038	3.7
239.12460	0.4
245.19016	2.6
253.09183	3.2
253.17992	0.6
256.13077	2.1
263.20105	1.2
265.18130	0.6
271.17023	0.9
279.19626	1.3
281.21390	0.6
289.18085	7.8
291.19647	11.4
292.19894	0.7
297.20682	0.5
307.19125	87.2
308.19547	5.7
309.20712	12.1
310.20990	1.2
325.20181	100.0
326.20505	6.8
439.10425	0.6
871.33521	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	869.4907
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98691	1.4
63.99109	0.4
68.99709	0.5
69.03323	1.6
70.08791	0.4
71.01252	18.0
71.12364	0.4
71.50773	0.9
72.99181	1.3
73.02805	2.7
75.00727	0.5
79.95630	0.8
80.96385	1.1
81.03317	0.6
83.01254	1.8
83.04876	0.5
85.02810	4.2
87.00751	4.3
89.02319	15.2
91.03886	0.6
95.01245	1.0
97.02825	2.7
99.00761	0.8
101.02321	11.1
107.30812	0.4
111.04437	0.9
113.02333	7.1
119.03380	3.7
125.02328	6.3
141.01773	0.5
143.03395	2.2
145.05080	0.5
149.04343	0.6
161.04453	4.1
165.12820	0.5
167.03397	0.6
167.10846	0.5
167.14337	0.7
179.05530	3.4
183.13815	6.4
193.12250	1.4
204.37737	0.4
204.73866	0.4
211.13336	100.0
211.55571	0.5
212.13660	4.9
217.07063	0.9
221.06596	1.0
235.08226	5.2
245.06503	0.5
249.33565	0.4
253.09268	0.8
263.07608	0.5
277.21716	47.7
278.22104	3.6
287.07736	1.7
305.08780	2.0
315.75043	0.5
323.09937	1.4
379.12488	7.8
380.12689	0.5
397.13474	32.8
398.13980	2.2
415.14502	6.7
415.19772	0.7
591.26288	3.0
609.27582	3.4
675.35767	0.8
821.99194	0.6
869.45490	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	869.49
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98692	1.9
68.99660	0.8
69.03317	1.2
71.01250	18.4
71.42506	0.7
72.99166	1.9
73.02821	3.2
75.00732	0.5
81.03326	0.9
83.01244	2.9
83.04876	0.6
85.02822	4.4
87.00750	5.3
89.01761	0.9
89.02312	16.1
95.01244	1.3
95.79441	0.4
97.02837	3.0
99.00774	1.4
101.02314	14.9
113.02328	9.1
119.03388	4.2
124.01549	0.4
125.02315	6.2
127.03855	0.4
131.03389	0.8
139.03864	0.9
143.03398	2.6
149.04466	0.5
161.04468	4.5
178.92477	0.4
179.05548	4.1
181.12138	0.4
183.13812	6.0
193.12260	1.9
211.13324	100.0
212.13684	5.2
217.07080	1.0
221.06615	1.6
235.08173	5.0
245.06819	0.5
253.09297	0.8
262.20230	0.4
263.07819	0.4
277.21707	58.7
278.22083	4.9
287.07678	1.7
305.08768	1.7
323.09824	1.1
371.76379	0.5
379.12430	8.5
380.12860	1.1
397.13467	43.6
398.13812	2.8
415.14505	8.5
464.19897	0.5
492.15494	0.5
551.07269	0.5
556.60846	0.4
572.16809	0.5
591.26678	1.8
609.27667	2.8
675.35907	1.0
725.05896	0.5
820.11707	0.5
846.03577	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	869.3461
Annotation	Unknow
Peak:m/z	Relative Intensity
67.70814	1.1
71.01249	13.9
71.03835	2.3
80.04923	1.5
83.01259	1.7
85.02817	5.0
87.00745	2.5
89.02304	11.3
94.02852	6.3
99.00783	1.3
101.02319	8.9
105.17754	1.1
106.06495	4.5
108.04435	2.5
113.02318	5.1
119.03365	3.8
122.05984	9.7
124.03936	1.6
132.04416	2.0
134.06007	22.9
136.03912	2.1
136.07590	1.6
137.02312	1.2
138.05470	4.7
150.05443	4.4
152.07077	11.3
155.98714	1.2
168.06622	1.3
172.05032	1.2
174.05515	2.4
175.02499	1.8
175.08876	1.2
180.06503	1.5
181.05031	1.9
188.07010	1.5
188.79587	1.3
190.05013	1.6
201.10255	2.8
205.23029	1.3
213.10248	3.4
225.10237	3.3
227.11937	3.4
229.09758	5.8
231.41695	1.3
234.03195	1.1
237.10281	3.1
239.11810	3.5
241.80582	1.1
249.10275	2.9
251.01758	1.1
251.08232	1.7
251.11867	1.4
252.08931	2.1
253.09738	3.8
255.11400	2.7
257.13034	1.9
263.08270	2.8
264.08994	1.6
265.09686	5.5
266.10278	1.5
267.11386	5.0
273.12567	1.3
277.09821	4.0
278.07272	1.6
278.10565	5.6
279.07751	3.7
279.11346	7.1
292.08463	2.2
293.09296	10.7
294.10074	2.9
295.10938	4.6
301.11981	6.1
305.09323	2.1
306.10001	1.4
307.10794	4.2
308.11252	1.6
314.12375	1.6
319.13034	10.0
321.08951	2.5
323.10208	1.8
337.08145	2.2
339.09818	5.6
351.09750	3.4
373.13943	1.3
374.15002	3.1
398.15039	2.2
416.16159	2.5
434.16995	1.5
458.17465	1.5
486.16339	1.8
497.40704	1.2
504.18201	1.9
550.22015	1.7
615.24988	1.3
620.22693	1.7
638.24054	6.2
639.23364	1.6
647.27008	2.0
648.21802	4.3
666.22839	16.4
667.22955	3.1
680.24060	2.3
711.00763	1.3
712.26855	4.4
713.27417	1.9
719.29382	2.1
743.30286	1.2
745.27136	2.7
746.27405	1.3
761.30640	3.8
777.29846	4.9
787.28082	2.5
805.29309	58.9
806.29596	11.9
809.32367	2.2
819.30536	3.8
837.31934	100.0
838.32239	25.0
851.32507	2.4
854.32892	1.6
869.34265	26.5
870.34790	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	869.3459
Annotation	Unknow
Peak:m/z	Relative Intensity
61.60325	1.0
71.01253	9.5
72.99202	1.1
73.02813	2.0
80.04921	7.2
83.01268	1.4
83.90748	1.0
85.02814	3.7
87.00759	7.0
89.02314	6.9
94.02859	3.4
94.06496	2.9
94.31759	1.1
97.79011	1.0
99.00720	1.1
101.02325	5.6
104.04900	3.0
106.06534	4.4
107.03656	4.1
108.04426	2.6
111.19334	1.2
111.68512	1.1
113.02325	3.0
115.00303	1.5
119.03339	1.9
120.04413	2.0
122.06002	29.7
130.06544	1.5
132.04445	3.2
134.06015	12.0
136.03928	2.0
138.05490	7.3
139.02638	3.4
148.03957	3.4
150.05490	5.1
152.07074	59.6
153.07410	2.3
160.03929	1.6
161.04535	1.2
162.09103	1.1
164.07028	1.3
172.11176	1.4
174.05524	2.6
175.02385	1.9
176.05769	1.3
180.06567	2.1
186.05431	1.2
187.08702	2.1
188.07126	2.9
190.05014	3.0
195.06606	1.3
201.10367	1.3
211.08659	1.7
213.10271	3.3
215.11832	2.2
225.10251	4.1
227.11806	2.3
228.12607	2.4
229.09781	6.4
230.03249	1.5
237.10239	2.5
239.11806	6.5
241.09625	1.2
245.12895	4.4
249.10254	1.3
250.07321	1.6
251.08208	3.2
251.11879	1.8
252.08942	2.1
253.09776	3.8
255.11272	4.5
256.12134	2.2
257.12894	3.8
259.10910	8.6
263.08163	1.7
265.09918	6.4
267.11398	8.2
277.09708	2.2
278.07001	3.6
278.10382	2.6
279.07730	3.6
279.11310	3.8
291.07870	1.2
291.11340	1.5
292.08646	1.9
293.09305	16.6
294.10007	3.5
295.10834	7.3
297.04062	2.3
300.11108	4.0
301.11899	21.0
302.12411	1.7
306.10059	1.7
307.10895	3.7
313.11926	2.9
321.08838	2.1
323.10345	3.5
330.12531	1.5
332.13919	2.3
337.08243	7.1
338.08881	2.0
339.09863	6.1
343.04581	1.9
351.09787	3.8
355.13129	3.3
356.13623	1.3
358.11862	2.4
372.13339	2.1
373.14227	3.0
374.14905	4.6
386.14969	2.2
388.16595	1.8
398.14813	3.0
400.12839	2.4
415.15237	1.4
416.15860	2.4
428.16055	2.2
432.18860	1.8
440.16107	2.0
458.17148	3.4
459.17902	4.3
460.18842	4.0
463.17386	2.5
476.17984	8.4
477.18399	1.3
481.18146	6.3
486.16885	7.1
503.16934	3.7
504.17712	30.6
505.18118	4.9
518.19159	5.0
539.22803	2.7
550.21948	12.0
551.22534	1.8
563.23212	1.4
583.21887	6.4
615.24640	14.6
616.24408	1.5
647.27222	8.5
648.27161	1.7
761.30371	3.8
805.29260	36.0
806.29700	7.8
819.31647	6.2
837.31970	100.0
838.32263	21.2
851.33362	3.7
868.41211	1.5
869.34277	30.9
870.34857	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	867.3565
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98707	7.8
68.55497	3.9
69.85332	3.5
70.04954	3.7
71.50575	4.6
73.82613	4.1
74.02325	5.3
86.78933	3.9
93.03343	3.7
99.01858	13.5
109.02819	4.9
119.04909	15.9
131.03673	4.7
141.06546	5.5
147.03168	95.7
148.07520	4.2
149.04665	8.5
150.05475	16.1
159.21703	4.2
172.10817	11.9
176.03482	6.7
176.07072	3.8
178.16301	4.0
192.06548	31.0
201.69167	3.9
214.72922	3.8
218.04518	82.7
219.04897	4.9
238.46040	3.8
244.09903	6.6
255.35025	3.8
263.13962	15.7
281.17026	3.6
308.16095	7.3
342.18109	3.9
372.34543	3.9
403.19672	10.6
509.27829	7.8
604.31482	6.1
648.30383	100.0
649.30048	21.0
674.28229	14.5
745.30151	5.3
867.35699	95.9
868.36761	24.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	867.4791
Annotation	Unknow
Peak:m/z	Relative Intensity
62.96275	0.2
70.40302	0.4
71.30173	0.1
78.95776	53.4
79.04337	0.1
87.31546	0.1
96.96842	6.2
119.00612	0.1
120.56107	0.1
150.97935	1.8
152.99490	100.0
153.99815	1.6
171.00555	4.3
214.95032	0.2
227.08165	0.1
231.88419	0.1
251.79631	0.1
279.23337	0.8
280.23810	0.1
280.29440	0.1
410.17786	0.1
433.23590	38.5
434.23944	4.7
498.53448	0.1
513.20239	0.5
624.30725	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	867.4955
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98702	6.6
62.53642	0.9
69.03337	2.3
70.15183	3.9
71.01250	17.2
72.99175	1.5
73.02823	3.5
79.51754	0.9
79.95630	1.1
80.96395	3.7
81.03304	1.0
83.01277	1.6
85.02830	3.6
87.00752	4.4
89.02309	15.9
95.01259	1.5
95.83445	0.9
97.02818	2.7
99.00755	1.5
101.02323	13.9
106.78000	1.0
113.02341	9.5
119.03406	4.1
125.02306	7.8
127.11204	2.3
143.03398	2.9
161.04451	3.5
171.10178	100.0
172.10512	4.1
179.05504	3.9
210.87473	1.1
217.07138	1.7
221.06636	1.2
235.08232	5.0
245.80666	1.1
255.23268	64.5
256.23608	5.6
259.08267	1.2
269.24667	1.5
287.07889	2.1
305.08710	2.6
379.12454	20.6
380.12833	1.5
397.13474	44.0
398.13873	3.5
415.14648	7.0
445.35138	1.1
551.23212	4.3
569.24457	2.4
635.36182	2.6
653.37592	5.1
654.37451	1.0
867.46503	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	868.5059
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98699	100.0
71.01260	0.2
71.50819	0.2
77.69437	0.2
79.95617	0.4
80.96377	0.4
91.39921	0.2
98.10910	0.2
100.81880	0.2
101.02239	0.2
140.79872	0.2
211.13379	0.7
229.14864	0.2
259.98865	0.2
277.21808	0.4
397.14114	0.3
487.46228	0.2
868.45654	0.2
869.47162	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	867.3562
Annotation	Unknow
Peak:m/z	Relative Intensity
66.03328	0.9
71.02358	1.7
72.00766	2.9
73.03924	4.0
73.64639	0.9
74.02334	4.5
74.15710	0.7
75.33235	0.8
83.02364	1.3
84.00749	0.8
85.03922	0.9
85.05988	0.9
91.02898	1.2
93.03322	3.7
93.04452	1.5
94.02864	0.9
99.01878	14.3
107.04901	4.2
109.02834	5.3
109.03903	1.2
111.01876	1.9
111.05495	3.0
113.03436	1.4
113.07083	1.2
115.08643	2.8
119.04912	21.5
121.02799	2.7
121.06503	1.1
123.04378	6.1
123.05479	1.1
125.07088	2.3
126.05445	1.7
131.03662	4.7
132.04507	1.6
132.05702	4.3
133.02863	4.1
133.05342	1.4
133.06464	5.9
134.05974	2.7
137.03481	5.2
137.07045	2.6
138.06552	1.2
139.05046	1.9
141.06577	7.1
146.06036	1.8
147.03157	95.2
148.03828	4.7
148.07545	4.7
149.03513	1.8
149.04700	10.1
150.05510	13.1
150.09126	1.0
153.06567	1.5
155.08141	2.7
157.05231	1.3
159.08008	1.8
160.03906	0.9
161.09602	0.9
163.03897	1.9
164.04659	1.5
165.06599	1.4
172.10840	13.2
173.09625	2.4
174.05489	4.3
176.03426	7.6
176.07040	3.9
176.10703	4.0
177.10236	1.7
179.04491	2.3
179.08095	1.0
179.11824	3.1
180.06537	2.7
185.09715	1.1
186.12381	1.1
189.06511	1.3
190.05000	8.3
190.12257	1.7
191.05589	1.0
192.06592	37.4
193.06877	1.4
193.09720	1.8
198.08939	1.1
200.10701	3.4
202.05002	1.5
202.12294	8.6
213.09126	1.2
218.04524	95.2
219.04875	6.0
219.14983	2.2
228.06561	2.1
230.11858	1.2
233.12816	1.4
237.08780	1.4
244.09711	5.1
245.09344	1.4
245.13190	1.1
246.11288	2.1
247.14500	3.7
257.13092	1.0
261.12289	1.2
263.13998	19.2
264.14243	2.0
269.05701	3.3
271.07193	1.6
274.10919	2.2
278.15277	1.0
281.16595	2.6
287.10403	1.5
291.13483	1.6
296.17838	0.9
306.14304	0.9
308.16031	6.2
313.15500	1.2
318.14490	1.2
324.17084	1.4
328.16681	1.4
334.13962	1.8
342.18326	6.8
358.17572	1.0
359.20871	2.6
368.15845	2.0
368.19965	2.3
375.24063	1.3
385.18753	2.9
386.17017	2.6
386.21173	2.0
403.19296	14.3
403.23764	4.9
404.19888	1.9
492.25043	1.7
498.26944	1.2
509.27521	5.1
536.24963	0.9
553.26874	2.1
579.24457	6.2
604.31006	4.3
608.00714	0.9
648.30310	95.4
649.30621	16.7
674.28326	9.8
675.29065	1.6
686.28271	4.0
745.32031	2.9
867.35608	100.0
868.35901	27.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	865.5085
Annotation	Unknow
Peak:m/z	Relative Intensity
71.13628	20.8
78.95771	100.0
82.77966	10.7
96.96800	20.4
113.85479	10.2
114.34306	12.3
144.09975	11.5
152.99464	25.8
159.26707	11.7
214.52632	11.4
241.01147	34.0
255.23276	30.8
270.57574	11.9
272.05310	11.0
275.30298	11.1
309.84387	12.6
311.22324	13.5
516.52136	12.2
762.02435	14.9
865.50671	62.9
866.50482	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	867.3571
Annotation	Unknow
Peak:m/z	Relative Intensity
71.02351	1.4
71.51595	1.7
72.00767	5.0
73.03938	2.2
74.02350	3.5
81.03331	1.1
82.02847	5.0
83.02373	1.3
92.46180	1.1
93.03329	6.2
99.01879	30.0
107.04900	4.5
109.03942	1.6
110.02391	8.8
111.01892	2.3
113.03469	1.2
115.08703	2.6
117.64010	1.0
119.04908	12.7
121.06484	1.3
122.02288	1.5
125.07088	2.3
131.03659	5.3
132.04425	1.1
132.05675	2.8
133.05228	12.1
133.06470	6.3
134.06030	8.1
135.01895	5.8
137.07152	1.1
141.06621	8.0
145.02832	1.9
148.07672	2.0
149.06010	1.7
151.08664	1.5
155.08167	2.4
158.05989	1.3
162.05516	4.3
162.37418	1.1
164.04723	2.2
172.03966	2.9
172.10815	7.0
173.09706	1.1
176.07097	53.7
176.10611	4.9
177.07397	2.3
189.06573	1.8
189.11531	2.4
190.12349	1.1
197.67047	1.1
198.08910	1.5
200.07199	1.4
200.10745	1.5
201.06639	2.0
202.03461	1.0
202.05028	6.8
202.08846	0.9
202.12335	8.8
205.06090	2.8
219.14941	1.4
221.10468	1.8
228.06549	3.7
230.11835	1.4
237.08690	2.5
243.07751	1.8
245.09276	2.6
246.11383	2.0
247.14490	1.1
255.88408	1.3
257.37366	1.0
259.11060	1.3
263.14001	63.8
264.14270	3.8
269.83057	1.2
274.10831	1.9
287.10342	5.7
290.15057	2.0
291.13538	3.3
308.16107	1.6
311.17578	1.1
313.08344	8.3
334.14066	8.2
358.21036	1.2
368.19589	1.5
385.22409	1.8
386.20947	3.3
492.25284	2.5
501.68976	1.3
521.44440	1.5
535.25745	2.4
536.23810	2.6
536.99207	1.3
579.24567	100.0
580.24890	13.8
595.27441	2.4
637.31311	1.1
646.28809	7.2
663.27740	3.9
664.29700	6.9
672.27057	3.6
689.26593	2.1
690.27777	12.2
691.28461	2.7
769.32159	3.4
808.31616	1.7
831.33820	2.9
849.35077	5.8
850.34802	1.7
867.35767	27.2
867.51654	2.3
868.35736	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	865.3709
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98700	4.3
67.37810	1.2
68.99689	1.8
69.03313	2.9
70.61742	4.2
71.01251	47.5
72.99182	40.7
73.02809	6.7
75.00739	20.1
77.75853	1.3
78.95750	1.6
81.03342	1.6
83.01262	8.1
85.02816	8.6
87.00751	35.2
89.02314	20.6
95.01273	2.5
96.95892	4.9
97.02832	4.2
99.00754	16.4
101.02328	19.6
106.91811	1.2
111.00777	5.2
111.08150	1.3
112.98692	25.5
113.02298	8.8
113.20432	1.3
113.99495	3.3
115.00257	51.4
116.00673	2.0
119.03395	4.4
121.02885	1.7
124.98703	3.6
125.02332	4.9
129.01823	5.9
135.02863	7.4
135.04401	1.6
135.08109	1.4
141.01862	1.4
142.99759	37.7
143.03362	2.8
145.01314	4.2
149.02347	2.0
156.00542	4.8
157.01349	3.8
161.04472	3.6
161.05978	1.9
163.04004	1.4
165.12756	2.8
173.00853	11.4
173.05884	1.4
174.01610	85.1
175.02394	83.0
175.03955	3.1
176.02798	1.7
179.05504	3.8
183.13858	1.7
191.03372	2.0
211.13272	2.6
221.06499	1.8
221.11821	2.1
229.12279	1.3
235.08154	6.0
272.63095	1.5
277.21680	1.7
287.20062	2.1
293.21201	100.0
294.21579	8.3
305.08893	2.5
305.21173	4.5
317.21204	3.2
319.22803	3.0
327.19666	3.8
331.19107	5.7
333.20682	5.3
345.20645	10.5
372.19019	1.3
375.30933	1.4
397.13489	67.0
398.13821	5.4
415.14560	33.5
416.14743	2.3
465.37976	1.5
494.90237	1.7
625.27386	1.9
651.15118	1.5
691.35400	12.7
692.35828	2.3
715.32996	1.4
729.33337	9.5
731.34973	2.6
741.32678	1.6
743.34436	3.2
745.32892	1.7
747.34314	24.0
748.34521	5.4
757.32788	2.7
759.34424	4.6
761.35809	3.9
765.35394	6.7
769.33179	14.8
770.33063	2.6
785.35760	2.9
787.33759	8.2
799.34009	6.1
805.34869	11.6
811.33167	2.1
829.35284	6.9
847.35907	14.3
848.36792	2.4
865.37292	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	865.5081
Annotation	Unknow
Peak:m/z	Relative Intensity
61.09384	2.1
62.96243	2.0
67.01766	2.1
78.95771	97.5
79.95608	2.6
80.96385	6.8
96.96820	21.2
113.09605	3.6
129.09082	5.1
152.99490	28.3
160.79933	2.3
169.12207	3.9
174.99146	2.3
181.12250	5.8
183.13739	2.9
196.65762	2.7
197.11754	9.7
199.13374	3.8
211.13330	18.2
217.00249	8.6
223.00078	9.1
241.01158	48.5
255.23265	73.1
256.23578	7.8
259.02338	4.3
293.21204	15.0
311.22287	21.8
372.60580	2.7
374.99033	3.3
391.22525	2.7
447.21622	3.7
553.27191	2.8
609.10614	3.0
836.94360	2.7
865.50690	100.0
865.67566	4.8
866.50873	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	865.3709
Annotation	Unknow
Peak:m/z	Relative Intensity
61.53826	2.7
61.98695	7.2
69.03354	3.3
69.73489	3.1
70.26910	11.4
71.01251	63.9
72.99178	48.1
73.02814	8.6
74.59374	2.8
75.00747	26.4
78.95783	3.1
79.69894	2.5
81.86658	2.8
83.01241	12.5
85.02815	12.3
87.00746	57.7
89.02314	30.7
95.01214	2.9
96.95891	3.5
97.02825	6.3
99.00751	22.4
101.02320	31.8
104.97692	3.1
111.00767	10.7
112.98696	28.3
113.02338	14.7
115.00255	67.2
119.03396	9.5
121.02907	4.7
124.98637	4.9
125.02293	8.0
127.03935	4.0
129.01820	9.5
135.02882	12.5
135.04424	6.3
135.25104	2.9
139.00284	3.3
142.99765	39.2
143.03424	4.6
145.01282	5.8
145.02824	5.8
147.04422	5.0
156.00595	4.4
157.01360	3.1
161.04488	5.2
161.05888	3.9
163.03905	4.5
165.12735	3.3
173.00807	9.2
173.02222	3.1
174.01608	79.6
175.02402	100.0
176.02695	3.5
179.05429	3.0
183.13768	3.0
191.03423	4.3
197.11678	3.5
211.13350	5.6
234.14731	3.1
235.08202	7.5
293.21237	99.3
294.21494	11.3
305.21201	4.0
315.19583	7.3
317.21146	10.7
327.19354	4.6
329.21127	3.5
331.19040	13.4
333.20728	15.1
343.19119	4.5
345.20596	12.9
357.05582	3.3
363.21378	3.4
397.13513	66.6
398.13852	5.5
415.14664	31.6
691.35339	9.8
705.84882	3.5
715.35077	3.6
725.34247	3.5
729.33478	13.3
730.34277	4.5
741.33447	7.9
743.35059	8.0
747.34375	31.9
748.34290	4.9
757.32874	6.2
759.34650	15.7
760.34595	3.5
761.35779	3.9
765.36230	3.6
769.32715	43.7
770.32825	9.6
785.36115	4.3
787.33508	15.5
788.34320	5.3
799.33771	24.2
800.33960	4.2
803.37335	7.2
805.35284	13.8
811.33716	10.8
829.35333	19.6
830.35040	6.2
847.35870	22.0
848.36487	6.7
865.37085	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	859.3649
Annotation	Unknow
Peak:m/z	Relative Intensity
62.18420	3.6
62.35681	4.3
71.51933	5.9
93.03329	4.7
99.01890	11.2
106.04100	7.7
107.04887	23.1
111.01948	4.3
119.04923	33.4
127.57839	4.1
133.05228	4.7
134.05997	14.6
141.06630	5.6
144.04391	4.5
146.05928	4.9
149.05919	6.0
152.86702	4.3
153.06592	15.4
176.06967	7.9
202.04802	15.6
215.08015	9.4
228.02695	5.0
241.05922	4.8
279.23270	5.5
281.24991	5.5
282.11453	8.8
302.15402	6.2
304.09500	15.2
305.10049	4.5
340.12976	4.8
348.08948	4.4
425.21756	16.4
522.46069	4.2
575.24872	11.4
601.23059	8.2
617.25903	8.1
670.28412	47.3
671.28943	13.7
859.36639	100.0
859.51892	8.1
860.36548	32.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	861.204
Annotation	Unknow
Peak:m/z	Relative Intensity
61.41700	1.2
61.68758	1.1
65.03827	2.8
67.01771	1.2
68.01325	1.3
68.99704	1.8
69.03325	1.5
71.01256	13.8
73.02814	11.5
75.00743	1.6
81.03338	2.4
83.01260	2.8
85.02817	2.6
87.00739	3.2
90.03371	4.3
93.03326	42.0
95.01260	1.6
98.20602	1.9
101.02315	9.0
102.03346	2.0
108.02064	3.6
109.02849	13.0
111.04386	3.8
113.02370	3.5
118.02872	34.8
120.04398	1.5
121.02850	17.6
130.17279	1.1
132.04436	2.5
136.03970	1.5
137.02342	24.5
144.04442	1.8
146.02377	100.0
147.02768	4.5
148.03963	3.4
153.01849	1.5
155.03398	8.4
161.04466	3.2
162.01874	1.5
163.02618	2.9
164.03430	20.2
189.06586	3.6
248.16071	1.1
264.26172	1.3
354.02225	1.1
578.70398	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	863.501
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98703	9.0
63.41151	1.0
71.01252	22.5
72.99186	2.6
73.02819	3.4
79.10404	1.3
80.96404	1.7
83.01255	2.6
85.02827	5.4
87.00741	4.1
89.02316	15.9
95.01234	1.7
97.02824	2.7
98.19780	2.9
101.02308	12.9
111.07980	1.3
113.02320	6.2
118.41615	1.2
119.03392	5.1
125.02331	3.1
142.03113	1.1
161.04527	1.4
162.09674	1.2
165.12750	6.0
179.05489	1.9
183.13840	42.2
184.14182	2.2
199.13426	1.4
209.11792	6.1
221.06616	1.6
227.12935	4.2
235.08163	2.7
255.23274	64.2
256.23697	6.9
277.21625	1.4
293.21121	2.4
340.47537	1.4
349.73489	1.2
379.12616	2.0
397.13394	11.1
415.14572	2.8
445.20023	1.2
654.63434	1.3
823.32324	1.2
863.50110	100.0
864.50769	22.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	855.4381
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98707	4.7
67.81442	1.3
71.01252	9.6
71.50568	1.9
72.99170	2.1
73.02807	4.0
85.02823	9.3
87.00754	5.0
89.02309	2.8
90.13411	1.5
96.95889	3.2
101.02307	5.1
103.43209	1.4
113.02333	5.1
115.00246	2.8
116.92702	1.4
121.25104	1.5
125.02328	1.7
127.11250	1.5
137.09583	2.0
139.37730	1.6
155.10634	2.3
161.04688	1.5
165.05441	1.9
171.04485	2.2
172.05211	67.3
173.05588	4.1
175.02502	3.6
184.05222	16.6
185.05998	36.0
186.06396	3.4
195.06577	3.5
198.06842	1.8
199.07568	11.7
223.06274	1.3
327.25372	9.2
329.23331	13.9
468.32639	2.1
470.30185	7.5
484.31915	7.5
485.32495	12.8
486.32889	2.7
503.31863	1.6
511.30734	11.0
512.31342	20.8
513.31854	4.7
529.32135	3.4
530.32367	30.3
531.33240	45.4
532.33575	7.1
647.37378	1.8
665.37079	4.4
666.37292	2.3
675.37335	3.9
693.38470	42.9
694.38690	6.4
707.37311	2.5
725.39307	2.4
855.43933	100.0
856.44232	30.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	857.5188
Annotation	1-18:2-2-18:2-phosphatidylinositol
Peak:m/z	Relative Intensity
61.98706	1.0
69.22291	0.6
69.49858	0.6
70.72882	2.0
78.95773	72.1
80.96381	1.2
96.96832	19.1
116.97123	1.7
118.96839	6.4
119.94579	1.1
129.25093	0.6
133.13580	0.7
134.98445	0.9
141.01570	5.2
152.99493	19.8
153.99846	0.7
171.00446	0.8
190.21619	0.6
200.94411	2.6
201.02489	7.3
202.02678	1.4
223.00078	6.7
223.02020	1.0
241.01137	30.1
259.02185	2.8
261.22293	1.0
277.21640	1.6
279.23270	86.6
280.23642	8.5
281.24847	2.3
282.94778	1.4
282.97650	1.7
283.02869	2.5
297.03796	2.0
305.02228	1.2
315.04977	0.8
362.98306	0.8
364.97867	2.2
365.03250	1.8
406.58804	0.8
415.22528	8.2
446.96283	0.7
447.03403	0.7
457.44391	0.7
577.27930	7.6
578.27838	1.7
595.29053	1.0
695.45959	0.9
857.51752	100.0
858.52051	28.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	855.3304
Annotation	Unknow
Peak:m/z	Relative Intensity
61.88214	1.3
71.01244	2.5
71.50511	2.3
87.00749	3.3
89.02296	1.6
94.02849	1.5
101.02309	1.5
106.06498	1.5
108.04416	3.5
110.05971	1.9
122.06005	8.8
134.06032	7.3
136.03902	1.8
136.07536	5.8
137.04787	1.5
140.07074	11.9
142.53641	1.4
146.06029	3.4
149.04704	4.1
149.47557	1.2
150.05470	4.0
151.26424	1.2
152.07094	3.4
160.04002	2.6
161.04706	6.0
162.05530	7.2
164.03439	3.3
164.07033	3.2
166.05052	1.5
172.03943	3.1
174.05510	4.2
175.06259	1.4
188.03400	1.8
190.04968	2.2
204.06641	8.4
211.08678	2.2
212.05843	13.8
212.09529	1.3
224.07066	1.3
225.06674	3.3
225.10197	2.4
226.07253	1.3
227.11845	3.3
228.12668	1.5
229.09778	5.1
230.09924	1.6
237.10228	9.7
238.07224	1.7
239.08217	11.4
239.11818	3.0
240.08910	6.9
241.09769	2.6
251.08087	1.9
251.11853	2.2
252.08813	3.7
252.10294	2.5
252.12456	8.3
253.06218	12.4
253.09796	17.9
253.13426	1.8
254.10214	2.1
255.11382	11.6
256.11752	1.3
257.09296	6.5
258.09610	1.7
259.10608	2.1
261.12411	3.0
265.06152	2.3
265.09760	2.4
266.06958	5.7
267.07721	20.3
267.11316	10.8
268.08569	10.3
268.11987	8.1
270.10071	2.5
273.12430	4.5
274.12717	2.6
277.09827	1.8
277.39420	1.5
278.10440	1.6
279.07681	6.2
279.10788	1.3
280.08566	15.3
281.09314	32.4
282.09808	2.6
283.07773	2.1
283.10867	10.2
284.11401	1.9
285.08871	5.3
285.12430	8.3
294.09879	1.6
295.10873	53.0
296.11594	33.4
297.08978	2.9
297.12299	14.3
298.09509	2.8
299.10370	11.4
300.10965	5.9
301.11807	2.7
303.13458	15.7
311.10464	2.8
313.11954	5.9
317.11322	2.6
327.13501	12.5
328.13953	1.7
335.12460	16.7
336.12894	13.7
337.13162	7.0
339.09937	8.4
340.10532	5.9
341.11435	4.6
343.13226	1.8
351.12030	3.0
353.11307	1.5
362.14972	1.5
371.12686	6.4
372.13104	3.8
373.14059	10.0
378.14462	1.5
378.29077	1.3
390.14587	6.6
404.16022	4.1
406.14029	3.1
407.14594	4.0
420.15765	3.3
434.13602	4.7
435.18024	3.1
438.16580	4.1
439.17346	1.8
448.14972	3.6
452.18045	3.4
466.16110	9.5
479.16791	1.9
480.17722	4.6
481.18021	1.8
494.18716	1.4
496.05365	1.4
496.17270	1.9
511.19559	10.1
512.19574	1.9
519.18182	2.8
601.23102	2.9
633.25653	46.7
634.26318	9.9
675.27313	1.5
782.93140	1.5
805.29370	10.6
806.29651	1.8
823.30322	7.2
824.31128	2.8
837.32025	100.0
838.32056	22.3
855.32971	89.5
856.33234	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	855.3301
Annotation	Unknow
Peak:m/z	Relative Intensity
68.18306	2.0
69.75060	10.5
71.01241	5.4
71.89487	1.9
74.48027	1.8
85.02863	2.0
87.00753	3.9
89.02323	4.4
100.47293	2.1
101.02312	2.7
103.25276	2.3
106.06509	2.8
108.04416	3.7
122.05999	11.5
134.06012	20.5
135.06779	3.1
136.07562	5.2
139.06274	2.6
140.07088	26.3
146.06003	4.1
149.04712	7.8
150.05547	6.4
152.07086	4.8
160.04001	2.5
161.04770	5.1
162.05551	16.7
163.06308	2.7
164.03452	5.5
164.07076	14.3
166.04988	6.5
174.05544	4.3
204.06580	13.6
211.08643	4.5
212.05838	10.5
212.09392	2.9
225.06677	5.6
225.10262	3.1
229.09830	4.9
237.10310	9.3
239.08217	14.1
239.11783	2.3
240.08997	4.0
241.09711	3.3
251.08170	3.8
251.11873	5.7
252.10518	3.9
252.12659	6.0
253.06137	15.2
253.09802	23.8
253.12534	3.1
254.10042	2.4
255.11348	11.1
257.09323	9.4
259.10938	3.6
261.12570	9.8
265.06223	3.9
265.09692	3.9
266.06848	8.4
267.07755	23.5
267.11188	13.0
268.08658	10.8
268.11896	10.3
270.10059	3.7
273.12408	4.5
279.07742	11.1
279.11151	3.6
280.08554	29.8
281.09256	30.8
282.09756	3.2
283.10834	14.2
285.09128	4.3
285.12430	19.5
293.09360	2.9
294.09943	2.9
295.10855	100.0
296.11588	39.3
297.08829	3.3
297.12277	20.1
298.05325	2.1
299.10324	6.6
300.11194	5.2
301.11911	4.0
302.12659	3.1
303.13464	69.5
304.13754	3.6
311.10458	4.1
312.11127	3.2
313.11884	4.7
321.09006	2.3
327.09830	3.7
327.13446	26.3
338.09399	2.2
339.09845	17.8
340.10403	5.1
341.11288	4.0
355.26819	2.5
371.12543	17.6
373.13940	4.0
378.14337	2.4
390.14584	8.5
404.16083	7.0
406.14105	3.7
407.14243	3.8
420.15625	5.0
434.17398	3.4
435.18292	3.0
436.18524	3.9
463.17322	3.1
465.18784	14.8
466.16254	6.3
479.16937	3.6
480.17599	4.2
483.19785	3.4
511.19501	6.3
601.23132	21.8
602.22986	6.7
633.25476	38.6
634.25842	6.8
761.31226	6.1
805.29303	44.0
806.29224	9.0
823.30481	57.3
824.30762	12.6
837.31958	57.1
838.32660	15.4
855.33075	49.8
856.32947	13.4
884.25684	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	855.3313
Annotation	Unknow
Peak:m/z	Relative Intensity
59.51696	2.4
61.98714	4.2
71.01250	3.7
71.50637	3.2
87.00723	3.5
101.02284	4.5
108.04445	3.1
110.06007	3.1
122.05989	10.7
134.06006	9.5
136.07558	4.0
138.05418	4.8
140.07025	9.1
150.05487	5.3
152.07069	18.8
160.03911	3.8
161.04697	5.5
162.05443	8.3
164.03430	2.9
164.07057	6.0
174.05548	3.8
175.02347	3.3
179.96234	2.4
188.07112	4.6
204.06616	6.7
204.68288	2.5
212.05804	9.7
225.10326	4.9
227.11862	4.4
227.13939	4.0
237.10167	5.0
239.08209	8.0
239.11850	2.8
240.08890	3.0
243.11522	2.5
251.07771	2.5
251.11812	4.0
252.12650	7.0
253.06100	7.3
253.09875	15.6
255.11369	11.1
257.09320	3.8
261.12503	3.6
265.09766	3.3
267.07687	18.4
267.11270	9.7
268.08392	9.9
268.12070	9.2
278.00934	2.6
279.07693	3.6
279.11475	3.0
280.08572	14.7
281.09320	24.2
282.09811	3.0
283.10684	6.7
285.09042	5.7
285.12350	5.9
295.05945	4.4
295.10889	61.7
296.11609	30.9
297.12411	14.2
299.10278	11.7
300.11072	4.4
303.13382	14.6
307.10840	9.8
311.10199	4.7
313.11884	7.2
323.10294	3.4
327.13391	11.8
328.14020	3.3
339.09683	7.3
340.10382	5.3
341.11462	4.2
371.12292	4.9
373.14029	6.4
378.39902	3.4
398.37741	3.1
415.10577	5.0
434.13513	6.2
436.18732	3.5
438.16888	3.8
460.18692	6.6
466.16391	8.1
480.17493	3.8
504.17734	30.1
505.17993	3.7
536.20502	46.6
537.20477	7.2
633.25513	27.9
644.42181	3.0
700.26801	6.2
805.28955	7.6
823.30536	6.4
837.32062	52.8
838.32013	12.4
855.32861	100.0
856.33771	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	855.3284
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01250	5.8
71.50829	0.8
72.99202	0.6
83.01221	1.1
85.02808	1.1
89.02316	5.1
93.01476	0.5
94.51486	0.7
99.41857	0.6
101.02320	4.5
109.06458	4.9
113.02335	1.6
119.03390	3.3
137.05975	1.3
137.27345	0.6
138.21259	0.6
138.63557	0.6
155.07028	24.4
156.07314	1.1
179.03413	1.1
197.08064	0.8
198.05237	0.6
203.15816	0.5
249.35094	0.7
261.67972	0.5
317.12381	100.0
318.12726	8.0
339.08774	1.6
462.02490	0.6
565.15936	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	855.3303
Annotation	Unknow
Peak:m/z	Relative Intensity
60.46872	1.2
61.82217	1.3
61.98689	4.7
70.09418	1.2
71.01244	4.6
85.02828	2.1
87.00744	2.3
89.02295	1.8
91.39687	1.2
101.02328	1.4
108.04437	1.8
122.06014	8.4
134.05991	8.8
135.06808	1.3
136.03998	1.3
136.07536	3.0
138.02460	1.2
138.05510	1.7
140.07060	11.0
146.05978	2.3
149.04718	3.3
150.05464	2.9
152.07059	7.3
155.25626	1.3
160.03972	2.0
161.04691	5.5
162.05498	6.6
164.03461	2.3
164.04752	1.4
164.07034	5.0
167.05795	1.3
174.05511	3.3
175.06328	2.1
190.05013	2.8
196.26192	1.4
204.06641	8.4
211.08717	2.4
212.05887	8.9
213.10107	1.6
225.06789	1.7
225.10130	1.4
227.11835	2.2
227.13948	4.5
229.09799	2.4
237.10283	7.2
239.08177	7.8
240.08676	1.8
241.09676	2.5
251.07907	1.6
251.11861	1.7
252.08772	1.5
252.10336	1.3
252.12570	6.1
253.06155	10.9
253.09784	12.7
253.13371	2.6
254.06682	1.5
254.10423	3.5
255.11394	9.0
257.09286	4.2
261.12439	3.0
266.06879	4.4
267.07681	13.1
267.11392	4.7
268.08453	9.5
268.12103	6.6
270.10046	3.3
271.10468	1.5
279.07742	2.2
279.11093	2.1
280.08469	11.7
281.09268	21.5
282.09607	2.7
283.10886	6.8
285.09128	2.8
285.12433	8.1
295.10870	34.7
296.11575	24.4
297.12326	6.6
299.10437	6.3
300.10980	4.1
301.11957	2.3
303.13477	22.7
311.10306	3.0
313.11862	5.0
325.20587	1.3
327.09723	1.7
327.13510	10.9
339.09778	4.7
340.10471	4.9
341.11005	2.2
343.12802	2.3
371.12271	2.0
373.13791	3.3
390.14716	4.8
404.16101	2.8
406.14130	3.2
407.14542	3.2
420.15109	2.1
434.13062	1.9
436.18481	2.6
438.16681	2.5
447.09348	3.9
452.17972	2.7
466.16187	9.0
474.99881	1.4
479.17136	2.7
480.17758	3.6
504.17575	3.2
511.19275	3.4
536.20374	3.0
610.24670	2.0
633.25555	21.9
634.25690	2.7
657.26447	1.7
700.26959	3.5
781.29272	2.2
788.65643	1.4
805.29767	5.1
823.30157	10.3
824.30042	1.9
837.31970	48.4
838.32312	11.4
855.32922	100.0
856.33606	26.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	853.3777
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98703	11.4
67.04941	7.5
67.76147	7.9
70.25141	23.3
91.19509	7.6
99.01875	12.7
112.03925	9.7
119.04946	16.2
123.01106	9.7
130.43810	8.5
153.06612	12.4
172.10844	10.8
186.31636	9.4
188.33699	11.6
194.08060	16.4
236.00685	8.0
244.09831	11.3
466.07730	9.7
579.25006	13.7
664.29211	16.5
853.37720	100.0
854.38513	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	855.2562
Annotation	Unknow
Peak:m/z	Relative Intensity
60.01575	3.8
67.92465	1.8
69.03303	2.8
71.01254	87.3
72.99193	3.8
73.02818	86.9
74.03120	2.1
81.03326	2.3
83.01256	30.4
84.30305	2.2
85.02832	13.9
87.00735	2.8
89.02309	20.9
95.01256	6.3
97.02807	3.2
98.19768	4.5
101.02319	100.0
113.02325	44.7
119.03378	16.5
121.02779	2.2
123.04444	3.3
125.02332	3.9
131.03401	11.2
135.04427	4.3
143.03409	11.1
149.04448	27.5
155.03455	3.0
161.04459	50.0
163.03908	9.5
164.04720	10.8
177.05513	2.7
179.07051	68.2
180.07336	5.1
197.03860	2.3
202.98206	2.3
203.05515	8.1
221.06592	24.7
229.81956	3.1
234.86038	2.4
323.11411	3.3
565.86926	2.4
786.22833	2.5
856.97559	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	853.3776
Annotation	Unknow
Peak:m/z	Relative Intensity
60.29175	1.0
60.55300	0.9
61.98701	2.4
69.87528	5.4
71.02364	1.7
72.00768	4.5
73.03935	3.1
74.02338	4.2
76.33560	0.9
82.02858	3.3
83.02358	2.5
84.00393	1.0
84.04424	2.3
93.03334	10.7
99.01878	40.5
106.04118	2.7
107.04900	3.6
108.02076	1.4
109.03957	4.0
111.01894	1.7
111.05482	1.7
113.03479	1.2
119.04922	41.7
120.05294	1.7
127.08672	3.4
133.05212	1.8
134.05995	6.3
139.05048	1.8
141.06607	4.7
144.04385	1.2
145.02856	2.5
146.06049	1.6
153.06602	41.0
155.08141	2.7
157.06464	1.3
159.08005	2.1
162.05450	2.4
163.03914	9.8
170.05966	1.5
176.07063	1.1
180.06575	44.0
186.09152	10.0
187.07600	2.0
188.07068	2.7
191.08150	1.7
193.09818	1.9
200.10730	1.4
209.12859	2.8
214.08673	14.8
215.08914	1.5
219.07689	7.5
231.11340	5.2
237.08733	1.9
240.06668	3.5
246.11330	2.1
263.11121	1.6
263.13983	28.7
264.14203	3.0
273.12436	18.9
274.12906	1.7
282.11441	10.6
290.15005	2.9
299.10483	9.6
299.13800	2.0
334.14160	7.9
579.24579	100.0
580.24805	17.2
590.26215	2.3
776.33276	2.5
835.36377	9.8
836.36859	4.5
853.37762	35.3
854.38263	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	853.3771
Annotation	Unknow
Peak:m/z	Relative Intensity
59.39139	1.6
64.94676	1.7
68.85300	1.7
70.97320	3.3
71.02352	2.0
72.00772	5.9
73.03940	3.8
74.02330	5.9
82.02833	4.0
83.02380	3.0
84.04412	2.4
93.03315	3.5
98.02332	2.0
99.01873	36.0
107.04887	4.2
109.03953	14.2
110.02323	2.4
111.01911	2.0
113.03426	1.9
115.05382	2.4
115.08627	4.6
119.04909	32.6
125.07092	3.6
131.03647	2.1
132.05672	4.6
133.06477	5.6
139.05028	4.1
141.06595	12.8
145.02785	1.9
146.06064	3.7
148.07585	3.8
149.96869	1.6
151.08632	1.8
153.06596	3.0
155.08182	3.7
155.18130	1.6
158.05981	2.3
159.08127	3.6
162.05486	3.8
163.03838	1.6
164.04625	2.0
164.06985	2.0
165.03067	1.7
167.08080	1.7
168.08060	1.9
172.10889	9.4
176.10722	7.3
180.06581	5.7
186.09154	8.9
188.07083	5.3
189.11548	4.7
196.07506	2.1
202.12256	10.1
205.06140	2.4
213.08981	2.1
214.08705	12.8
215.09009	2.1
221.10568	3.5
231.11313	5.6
237.08710	2.3
240.06525	7.1
244.09738	2.3
246.11340	4.1
263.13977	80.6
264.14374	5.3
273.12445	14.0
282.11362	3.9
290.15067	2.8
291.13510	2.3
298.12039	1.8
299.10397	23.0
334.14172	10.1
385.22644	2.5
536.23883	2.2
553.26801	3.5
579.24567	100.0
580.25000	13.0
590.25989	3.7
664.29761	4.0
690.67841	1.9
772.25140	2.6
835.36328	20.5
836.36145	2.9
853.37750	83.0
854.38037	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	851.5161
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	6.6
61.71714	0.3
69.03320	0.5
69.22646	0.3
69.22977	3.7
69.35628	0.3
71.01263	6.3
72.99170	0.8
73.02821	6.0
73.74271	0.3
75.00739	0.6
83.01270	0.6
83.04906	0.5
85.02815	2.0
89.02323	1.7
89.02769	0.3
91.27856	0.3
95.01236	0.6
97.02822	0.5
101.02322	3.9
107.27635	0.3
109.18375	0.4
111.08031	0.5
113.02335	4.7
113.05961	0.6
119.03396	1.4
125.05959	1.4
139.07567	1.0
143.03432	0.7
155.14331	0.6
161.04402	1.7
231.17523	0.8
247.17050	0.4
255.17528	0.7
257.22803	0.4
261.22110	0.4
263.23709	1.8
265.25342	0.8
271.16928	0.4
273.18646	1.1
275.23798	3.0
276.24060	0.4
279.23279	52.6
280.23572	3.5
285.18631	3.8
286.18726	0.4
287.20087	0.9
291.23257	1.2
293.24857	34.3
294.15753	0.4
294.25247	2.7
303.19492	1.2
303.23276	4.3
304.23706	0.4
305.21252	1.3
321.24323	16.9
322.24677	1.4
331.19116	3.4
333.24329	1.6
337.23819	0.9
349.20190	6.2
350.20587	0.4
351.25430	2.6
365.19482	1.7
367.21225	100.0
368.21570	9.0
375.25485	0.8
381.26239	0.8
393.19208	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	853.2768
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00201	0.4
69.36356	1.0
69.36764	2.0
77.03830	0.6
79.01747	0.6
83.01239	0.4
93.03306	0.4
97.02848	0.6
109.02823	1.3
109.92896	0.4
119.04890	0.7
121.02861	2.0
121.03635	0.4
123.00813	0.4
125.02332	0.9
133.02840	10.7
134.03180	0.6
135.04414	1.4
139.11191	2.0
147.04387	1.4
149.02339	1.3
151.00252	0.7
161.02364	1.4
163.00291	1.6
163.03885	3.1
165.01811	1.7
173.02342	0.6
175.03934	3.1
177.01854	0.7
181.12244	1.2
183.04326	0.4
183.10175	3.4
191.03442	2.1
193.01367	1.6
199.03897	1.0
199.13321	0.5
201.01765	0.8
203.03413	0.5
211.04018	0.6
211.17072	0.5
212.04710	0.6
213.05603	1.2
217.04922	0.4
225.05609	0.8
225.11372	1.3
227.03502	0.7
227.07019	0.6
229.05130	0.6
240.04289	0.6
241.05028	0.8
243.02713	0.6
243.12364	5.8
247.48448	0.4
247.55690	0.4
253.05022	1.7
254.05759	0.4
255.02899	0.9
255.06694	0.7
256.03571	0.6
269.04608	0.8
271.06082	0.6
281.04449	0.6
284.03238	9.7
285.03976	6.9
286.04510	0.6
297.00671	0.9
297.04022	16.2
298.04791	9.2
299.05573	18.2
300.05847	1.9
309.04132	1.0
311.05621	2.7
324.02658	0.8
325.03540	0.9
327.05078	100.0
328.05408	8.9
335.12375	0.6
339.05066	4.2
341.06735	0.9
357.06134	25.6
358.06592	3.3
369.06161	2.4
393.06091	0.7
405.17648	15.1
406.18149	1.2
447.09293	78.8
448.09631	9.3
544.37079	0.4
716.09674	0.4
756.16785	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	851.3617
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98693	0.8
66.03371	2.1
67.72825	0.5
68.19163	0.5
68.43711	0.5
68.85464	0.5
70.64109	1.4
71.02392	1.1
72.00779	2.7
73.03940	4.9
74.02345	1.1
82.02801	0.6
83.02409	0.9
84.00807	1.0
85.03927	0.6
93.03317	5.8
95.02410	0.6
96.04429	3.4
99.01888	6.8
106.04071	0.7
107.04916	1.5
108.04451	0.9
111.01947	0.9
112.03950	0.6
115.08689	1.4
117.03377	1.0
119.04912	23.9
120.05246	1.2
120.08093	1.4
121.02842	0.7
121.04011	0.7
122.04764	0.7
123.05531	4.2
125.07118	2.3
126.05509	1.2
131.03680	2.2
132.04457	1.2
132.05704	1.3
133.05229	0.7
134.03638	0.7
134.06020	2.3
136.07629	1.7
137.07069	2.9
138.05495	1.2
139.08664	0.7
139.51724	0.6
141.06596	34.5
142.05017	3.8
142.06926	1.2
144.04494	0.9
145.02881	2.0
145.38684	0.5
146.06020	8.5
147.04413	1.1
150.04219	1.4
151.08591	0.6
155.08200	2.4
156.27956	0.5
157.05269	2.8
162.05450	3.4
163.03903	7.6
164.07095	2.6
172.10812	4.2
174.05637	0.9
175.08696	0.7
176.07008	2.6
179.06915	5.4
179.08319	0.9
179.11868	2.4
180.06572	25.0
180.10239	1.9
181.07031	0.9
182.09346	0.7
188.07155	1.5
190.04988	1.9
191.08238	2.4
192.22412	0.5
193.09731	5.8
195.11319	2.7
196.07295	0.6
198.09085	1.0
200.10721	8.5
201.11086	0.6
202.05019	0.8
205.09772	1.5
215.63277	0.5
217.64110	0.5
218.11896	0.6
219.07747	1.5
222.12410	25.0
223.10849	3.0
223.12811	0.8
236.14015	0.6
237.08861	1.1
238.11903	0.7
240.13496	7.0
241.09857	0.8
244.09741	15.2
245.10278	0.6
250.41756	0.6
254.15112	0.6
257.12924	1.2
261.12491	2.3
263.13956	1.4
280.13007	2.8
282.11337	9.5
283.11053	2.6
292.16696	2.2
297.15656	1.0
299.14050	1.6
302.15100	1.8
311.17255	2.0
318.14633	1.2
343.12946	3.5
360.19333	1.3
382.17578	1.4
384.15756	0.7
386.17255	0.9
417.21237	3.3
425.18304	2.2
461.20090	0.7
468.17694	5.5
523.25409	2.5
565.22986	5.7
566.23206	0.7
567.24573	100.0
568.24841	16.9
579.24786	1.7
648.30255	0.9
649.30328	0.8
807.37164	1.5
834.17749	0.6
851.36145	26.2
852.36426	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	851.3619
Annotation	Unknow
Peak:m/z	Relative Intensity
71.51251	1.5
71.51669	2.6
72.00771	2.1
73.03931	2.6
78.95839	1.6
84.04450	1.6
85.03931	3.7
85.87431	1.4
93.03308	2.9
94.82378	1.6
99.01868	23.8
103.55557	1.9
105.62909	1.8
107.60367	1.7
111.01338	1.6
111.01896	18.1
111.05509	3.2
113.03430	4.2
115.08643	7.3
118.06478	1.9
119.04911	21.7
124.02685	1.9
125.07068	2.6
131.03645	3.9
134.06017	3.0
137.07068	4.4
139.08624	2.5
139.25957	1.9
141.06599	13.7
145.02823	2.3
146.05980	3.5
149.05928	3.9
153.06554	4.3
155.08142	4.3
162.05486	4.3
162.06712	2.9
164.07072	2.3
167.08142	5.0
172.10844	9.1
174.05545	2.1
175.07564	21.0
176.06958	2.1
180.06564	5.4
184.10815	2.5
187.07588	2.8
188.06999	2.2
190.08594	8.4
192.10194	7.4
194.05740	4.3
200.10765	5.0
204.10246	2.8
232.09550	1.9
236.09213	20.4
244.09808	7.4
248.09192	5.5
261.12274	2.7
275.10175	3.4
338.13882	12.1
348.19193	5.8
350.13876	2.2
350.28275	2.1
355.16528	3.7
369.15759	1.9
374.17157	2.4
567.24768	11.0
579.24457	7.8
593.21729	2.4
662.28662	9.3
851.36115	100.0
852.36316	28.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	851.3616
Annotation	Unknow
Peak:m/z	Relative Intensity
66.03358	2.2
69.06995	1.2
69.60471	5.6
69.60883	2.2
71.02386	1.8
72.00765	3.2
73.03941	2.8
74.02352	5.4
78.70393	1.3
82.01582	2.0
82.02846	7.0
83.02394	1.3
84.04450	1.4
93.03319	2.5
94.02840	1.5
99.01887	29.8
99.97206	1.3
99.97849	1.0
107.04941	3.1
108.04484	1.3
109.03961	5.7
110.02356	6.6
111.01894	1.9
115.08682	1.8
116.04938	9.0
117.03265	1.2
118.06507	3.6
119.04930	12.0
125.07121	1.9
132.05664	3.2
133.06471	5.7
134.06029	1.6
137.07069	1.7
141.06566	9.4
148.07562	2.6
155.08086	2.5
159.08073	1.2
162.05522	3.7
164.04678	1.8
172.10873	8.6
173.07132	5.4
173.09705	2.0
176.10736	7.1
179.11844	2.2
182.06029	2.0
183.06815	1.5
184.07607	7.3
185.07098	7.6
186.05496	4.1
187.11264	1.3
189.11562	3.1
200.10620	1.3
202.12270	9.4
205.06143	2.5
212.07111	9.6
219.14914	1.7
221.10529	2.8
227.08275	1.6
229.09842	7.6
230.11919	2.2
243.11385	2.4
246.11316	2.5
247.14307	1.9
253.09880	2.5
255.07779	1.8
259.10794	1.8
263.13986	73.8
264.14355	5.6
271.10840	6.0
274.10925	2.3
277.17667	1.3
278.09369	2.3
290.15176	3.0
291.13596	4.7
297.08743	10.5
298.09079	1.4
334.14099	8.9
365.18820	1.6
368.19910	3.0
375.17188	1.4
385.22397	2.8
386.20831	2.3
492.25269	1.9
535.25177	1.9
536.24402	1.5
553.26660	1.5
579.24579	100.0
580.24884	17.1
595.27728	3.0
646.28894	13.7
647.29199	2.5
664.30084	8.5
689.27258	3.5
690.27496	3.2
698.31659	2.2
724.29938	2.7
753.32397	9.5
754.32379	3.5
759.93549	1.6
792.32928	4.1
793.33466	1.4
815.33960	4.5
816.33801	2.3
833.34631	11.0
834.35596	2.9
851.36249	29.7
852.36652	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	851.3617
Annotation	Unknow
Peak:m/z	Relative Intensity
59.03268	0.6
59.93635	0.6
65.59291	0.6
66.03359	0.9
70.09143	0.6
70.78210	1.8
71.02381	1.3
72.00790	1.9
73.03931	3.1
74.02335	4.5
83.02370	0.8
85.03967	0.6
85.76421	0.6
86.26438	0.6
87.05500	0.9
93.03342	3.1
93.04434	1.0
94.45552	0.5
95.02363	0.7
99.01873	8.8
106.04128	1.0
107.04917	3.6
109.04007	0.6
111.01904	1.0
111.05515	1.8
113.03442	0.7
113.07115	0.7
115.08637	2.9
117.03316	1.0
119.04907	13.1
121.06458	1.0
122.97329	0.5
123.05511	0.8
125.07065	1.2
126.05491	0.6
127.08652	0.6
128.56636	0.6
129.21584	0.6
131.03661	21.7
131.04553	0.9
132.04535	1.1
132.05679	2.8
133.05334	3.9
133.06467	5.5
134.06033	2.9
136.11229	0.9
137.03490	1.1
137.07091	1.1
138.06570	0.7
139.05031	1.3
139.08748	0.6
141.06609	3.9
145.02852	1.6
146.05966	1.1
147.04401	0.7
147.08063	1.0
148.07574	4.0
149.05949	0.8
150.09270	0.6
153.06625	0.9
154.09727	0.8
155.08194	2.5
158.05988	1.1
159.08064	1.7
161.09558	0.7
164.04619	0.8
172.10817	8.2
173.09560	1.6
174.05521	1.6
176.07097	7.8
176.10730	2.4
179.11819	1.6
180.06522	1.1
185.09624	1.1
186.12399	1.0
190.05081	1.1
190.12227	0.7
191.07985	0.6
193.09703	2.5
198.08789	0.9
200.10616	1.1
202.05011	16.2
202.12312	6.4
203.05229	1.0
205.06097	0.6
210.12262	0.7
213.09183	0.9
219.15041	1.6
221.10548	0.9
221.12773	0.9
230.11755	1.4
237.08791	1.0
243.11349	0.7
244.09613	1.4
246.11218	1.2
247.14470	2.5
255.07687	1.6
255.14957	0.7
257.12772	1.0
261.07968	0.8
263.13980	15.4
264.14392	1.0
268.16953	0.8
281.16510	1.3
291.13409	1.3
304.16721	0.8
308.16132	6.5
311.17740	1.2
318.14413	0.8
324.17148	1.6
328.16595	1.1
334.14032	0.9
342.18179	4.0
346.21359	1.4
359.20816	0.8
365.18338	0.7
368.15759	0.9
368.19879	1.7
375.23761	1.4
385.18521	1.0
386.20923	1.3
389.21771	0.7
403.19235	9.8
403.23746	3.9
404.19766	1.0
509.27628	3.4
542.25922	1.1
553.26630	2.2
555.31555	0.7
579.24408	2.8
595.27606	2.2
604.31592	3.6
630.29681	0.7
648.30322	100.0
649.30621	15.5
674.28412	3.1
745.31165	1.0
851.36145	42.5
852.36566	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	851.3614
Annotation	Unknow
Peak:m/z	Relative Intensity
69.40786	2.4
69.41189	9.7
69.70516	1.4
71.02369	2.3
72.00793	3.2
73.03938	3.8
74.02360	4.6
83.02366	1.8
83.16170	1.4
91.86181	1.5
93.03324	15.1
95.21999	1.6
99.01870	11.0
105.09845	1.4
106.04157	2.9
107.04887	2.7
109.03941	1.8
115.08617	3.4
119.04910	35.9
125.63863	1.6
127.08626	1.9
131.03665	23.5
133.05255	3.5
133.06366	1.5
134.06015	10.4
135.04411	1.7
136.07590	3.5
137.03438	1.7
141.06561	5.7
145.02858	3.2
152.64436	1.6
153.06578	6.9
154.51765	1.4
157.05225	2.4
163.03906	10.0
172.10847	8.5
174.05568	2.1
176.07106	9.2
180.06564	41.9
181.06926	3.2
190.05093	2.4
191.08145	1.8
193.09789	5.1
202.05029	19.8
219.03334	1.7
219.07768	2.4
222.12425	1.7
226.15625	2.8
244.09708	2.4
263.13925	3.2
282.11386	11.8
299.14072	2.8
385.00833	1.6
385.18475	1.8
403.18997	7.3
403.23724	4.8
486.43991	1.6
509.28308	1.9
595.27600	2.8
604.32074	2.0
615.32513	1.8
648.30310	100.0
649.30652	20.4
674.28131	4.7
851.36279	35.2
852.36230	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	849.5134
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	6.8
64.93246	2.4
66.71030	2.4
75.10155	2.4
78.95776	93.4
80.96387	5.3
96.96824	20.2
142.77675	3.0
152.99509	15.0
195.13863	7.9
217.00233	6.8
223.00043	4.6
241.01137	21.7
252.73128	2.8
252.76274	2.7
255.23279	30.7
256.23538	3.8
277.21750	8.0
295.22754	24.0
345.91458	2.6
365.30194	2.8
391.22580	4.6
419.23718	3.2
498.40894	2.6
553.28149	4.0
607.53534	3.2
624.33875	3.5
849.51288	100.0
850.52136	19.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	849.4486
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	3.8
62.90849	0.4
69.57635	1.7
69.58038	1.3
71.01250	8.5
73.02814	0.9
78.35364	0.4
85.02824	1.5
85.94769	0.4
87.00751	2.7
87.04398	1.4
89.02315	100.0
90.02642	0.9
95.70033	0.4
98.19889	0.6
99.04430	0.6
101.02325	1.8
113.02335	1.9
114.28370	0.5
115.00237	0.6
135.08073	0.5
149.05931	1.0
150.06767	22.6
162.06773	1.5
163.07553	11.1
164.08327	1.4
175.02397	1.3
177.09123	2.3
178.09930	1.6
179.05580	0.5
179.10689	7.8
209.81409	0.5
223.67001	0.4
295.75275	0.5
345.22565	0.8
376.26065	4.2
390.27786	10.0
391.28485	23.6
392.28833	2.7
402.27664	1.0
416.29282	5.1
417.30118	7.3
418.30490	1.4
434.30420	1.0
461.32468	2.4
462.33371	1.1
478.32874	1.3
479.33646	0.5
506.32394	1.3
507.33322	0.8
523.33020	3.4
524.33459	1.9
525.34247	1.8
553.33722	1.2
624.39893	0.5
644.36707	0.6
669.38855	0.9
687.39655	3.6
688.39624	0.6
728.49231	0.6
737.81409	0.5
790.10468	0.5
849.44867	97.0
850.45203	16.2
850.58044	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	848.3919
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	0.2
61.16405	0.2
61.98702	100.0
71.50325	0.3
78.95773	0.3
106.14577	0.2
158.50053	0.2
176.26385	0.2
196.50972	0.2
199.21504	0.2
215.57538	0.2
320.26273	0.2
382.30237	0.2
427.51334	0.2
456.52554	0.2
512.42419	0.2
636.10968	0.2
788.40961	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	849.4488
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00995	0.8
59.01254	8.1
64.90774	0.7
71.01259	7.3
72.99184	0.7
73.02805	1.0
85.02805	1.9
87.00741	2.7
89.02320	68.0
90.04452	0.7
91.52797	0.6
101.02304	2.3
103.61379	0.7
109.02859	0.9
113.02337	0.8
115.00293	1.0
120.99545	0.8
122.06014	1.0
137.05997	1.0
149.05983	1.8
150.05649	1.4
150.06783	24.0
151.07198	1.0
152.07060	0.7
162.06795	1.7
163.07561	17.7
164.08298	3.1
175.02426	3.4
178.09834	1.1
179.10721	9.1
180.11075	0.7
181.05034	1.2
187.09746	0.7
225.30380	0.6
227.07018	1.0
287.79153	0.7
345.22592	1.0
420.28854	2.7
434.30368	11.9
435.31094	12.9
436.31387	1.1
478.32968	2.8
479.33643	5.7
523.32776	1.5
524.33447	1.9
525.34113	2.5
622.78473	0.7
673.25519	0.8
687.39673	4.4
688.40027	1.0
762.10345	0.7
849.44867	100.0
850.45215	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	847.4889
Annotation	Unknow
Peak:m/z	Relative Intensity
60.34818	13.6
69.64082	100.0
80.96410	46.6
101.57343	16.1
217.08218	15.4
286.78888	17.5
536.83868	16.3
581.73334	20.8
629.88409	17.4
847.48712	54.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	848.3919
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	0.3
61.98699	100.0
62.98372	0.1
69.53841	1.1
71.01264	0.3
72.95288	0.1
78.95793	0.2
80.96377	0.2
83.08609	0.1
88.98687	0.3
96.95914	0.3
154.06201	0.2
251.22189	0.1
326.44260	0.1
453.27335	0.2
787.41284	0.2
788.40723	0.6
849.39276	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	847.397
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	88.5
60.01590	1.3
69.22939	5.5
71.01247	7.1
73.02821	4.3
83.01253	0.9
85.02821	3.8
87.00755	2.2
89.02325	1.4
94.90379	0.6
95.01264	0.7
95.04900	0.6
99.00758	1.2
101.02319	4.3
113.02338	2.9
125.02348	0.6
149.77705	0.6
150.06792	1.1
161.04518	3.4
161.05655	0.7
163.11218	3.6
175.02415	1.0
179.05466	1.3
179.10719	1.2
181.12262	34.3
182.12610	2.1
182.92253	0.6
204.78485	0.5
207.10245	0.8
211.16992	0.6
225.11278	63.0
226.11624	3.4
373.22424	3.7
387.16599	100.0
388.16934	9.0
391.72275	0.6
415.23434	3.9
847.42969	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	847.4333
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01256	9.4
61.98709	1.2
68.55430	1.2
71.01245	4.0
71.50858	1.3
73.02834	1.3
73.89757	1.4
85.02834	1.9
87.00741	3.4
89.02329	2.5
97.06493	1.8
99.04353	1.4
99.86290	1.2
101.02337	2.4
113.02330	1.4
115.00207	1.4
117.96594	1.4
118.97921	3.6
123.04414	1.5
123.08054	2.9
135.76704	1.3
149.06050	1.4
150.03105	2.6
150.06776	32.4
151.07253	1.4
162.06754	4.6
163.07602	10.9
164.08334	6.7
165.05632	1.6
175.02406	3.5
177.09076	2.6
179.10699	18.2
180.11134	2.0
189.88226	1.3
229.10580	1.4
268.68826	1.4
319.08527	1.4
320.19846	2.2
335.21997	1.8
341.23407	2.6
343.21265	4.5
385.14761	4.5
386.15619	1.2
462.30154	2.2
476.31619	3.7
477.32141	10.0
504.30481	1.8
505.31689	2.0
521.31299	2.4
522.31915	6.7
523.32739	22.5
524.33307	3.5
685.38074	11.6
686.38531	3.0
847.43341	100.0
848.43817	28.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	847.4333
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01256	9.4
61.98709	1.2
68.55430	1.2
71.01245	4.0
71.50858	1.3
73.02834	1.3
73.89757	1.4
85.02834	1.9
87.00741	3.4
89.02329	2.5
97.06493	1.8
99.04353	1.4
99.86290	1.2
101.02337	2.4
113.02330	1.4
115.00207	1.4
117.96594	1.4
118.97921	3.6
123.04414	1.5
123.08054	2.9
135.76704	1.3
149.06050	1.4
150.03105	2.6
150.06776	32.4
151.07253	1.4
162.06754	4.6
163.07602	10.9
164.08334	6.7
165.05632	1.6
175.02406	3.5
177.09076	2.6
179.10699	18.2
180.11134	2.0
189.88226	1.3
229.10580	1.4
268.68826	1.4
319.08527	1.4
320.19846	2.2
335.21997	1.8
341.23407	2.6
343.21265	4.5
385.14761	4.5
386.15619	1.2
462.30154	2.2
476.31619	3.7
477.32141	10.0
504.30481	1.8
505.31689	2.0
521.31299	2.4
522.31915	6.7
523.32739	22.5
524.33307	3.5
685.38074	11.6
686.38531	3.0
847.43341	100.0
848.43817	28.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	847.3607
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	100.0
61.98698	20.9
69.03321	4.4
71.01253	67.5
71.50162	6.3
72.99179	8.2
73.02819	10.1
78.95782	6.4
80.96380	4.3
81.03332	5.7
83.01257	8.4
83.26833	3.6
84.75381	3.9
85.02825	18.4
87.00751	24.3
89.02328	24.2
93.03360	6.8
95.01273	3.7
95.04938	3.3
96.95855	7.6
97.02825	7.5
99.00761	25.0
101.02332	24.0
108.02039	5.0
109.02869	3.8
111.00753	3.3
113.02299	16.2
115.00253	24.4
119.04927	5.1
121.02841	13.3
123.00721	3.8
125.02301	6.8
127.03892	3.3
132.65074	4.0
135.04385	11.5
145.02853	13.3
147.04443	13.6
149.02325	11.9
149.05939	4.0
150.03275	3.8
159.04398	6.9
160.71400	3.7
161.02338	5.6
161.04546	3.8
161.06009	8.5
163.03955	10.0
163.11159	5.0
171.10136	8.3
173.02315	4.6
173.05850	4.2
175.02449	40.9
175.03813	6.5
175.07468	4.4
177.01746	5.3
177.05539	4.0
178.06239	6.8
185.05972	5.5
187.03938	4.7
187.07587	6.1
189.01891	9.9
191.03474	6.8
191.10735	3.7
197.11862	7.9
203.03377	6.4
205.12257	3.6
209.11670	4.4
211.13283	6.6
215.03435	5.6
217.05038	9.7
221.06743	6.3
225.11174	3.8
277.14569	5.0
283.20767	8.1
301.22043	3.7
309.18652	6.1
315.19501	16.9
317.21201	14.7
325.18103	7.4
327.19156	4.7
327.22141	8.3
328.22202	3.7
331.19019	4.7
333.20596	26.6
343.19156	10.3
345.20703	13.2
357.20953	4.5
387.21753	4.2
397.13589	8.7
415.14453	5.7
518.88647	5.1
518.95850	4.0
730.25238	4.5
741.33313	10.0
743.34491	6.3
755.35138	5.3
757.32635	19.2
758.33386	7.1
759.34216	29.2
763.90967	4.2
767.34760	7.1
769.32892	98.9
770.32892	20.5
773.36145	6.4
781.33502	13.3
785.36194	11.6
787.34296	24.2
799.33917	64.2
800.34143	11.7
803.37518	5.5
811.33948	33.8
812.33917	5.9
829.34949	61.8
830.34912	17.7
847.35815	73.2
848.35999	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	845.4538
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	19.3
61.98697	7.7
63.90052	1.6
68.19585	1.4
71.01244	14.6
71.51083	1.9
73.02818	2.6
77.35975	1.5
85.02810	4.9
87.00750	3.4
88.98691	3.5
89.02308	11.2
95.04942	1.8
97.06464	16.1
101.02324	9.7
106.14442	1.5
113.02319	5.1
119.03384	2.1
123.08054	7.7
125.02358	1.8
125.09608	65.9
126.09948	2.5
159.16884	1.5
164.93440	1.7
187.09677	34.8
266.52304	1.8
277.21722	28.6
278.22070	3.3
362.33179	1.6
376.30966	1.4
379.39267	1.8
397.13528	4.0
437.08246	1.9
476.78589	1.9
488.31876	1.7
542.51965	1.8
562.99872	1.9
567.22699	3.0
585.23706	2.0
667.43829	1.8
845.45331	100.0
846.45636	26.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	847.303
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	2.6
61.98707	0.6
64.05490	0.6
67.01759	0.9
67.05714	0.5
71.01255	1.1
71.38338	1.0
76.14933	0.5
85.02845	0.6
89.02312	0.6
91.31698	0.6
93.03302	0.8
95.01211	0.7
96.95920	0.5
109.02835	2.7
111.00821	0.8
115.00275	0.7
118.82126	0.5
121.02800	0.7
123.00768	2.4
125.02348	0.7
135.04378	1.0
136.01526	1.7
137.02338	28.0
138.03030	0.9
139.00293	0.8
139.03886	0.7
149.02356	1.8
150.03130	2.0
150.06764	0.6
151.00276	13.2
151.03873	3.7
152.01033	1.6
152.04735	3.4
153.01793	0.8
153.05417	0.7
159.04445	0.8
161.02325	0.9
162.03151	1.1
163.03850	1.1
164.01094	2.6
164.04768	0.6
165.01837	100.0
165.05461	4.5
166.02621	38.5
167.03397	4.3
168.04111	0.6
175.02371	1.6
175.03949	1.9
177.01834	2.4
177.05449	1.6
178.02687	1.0
179.03413	24.8
180.04193	60.7
181.04970	46.2
182.05252	2.7
187.03914	1.7
189.05463	0.7
190.02684	0.6
190.06256	1.7
191.03371	1.3
192.04259	1.3
193.04935	1.5
193.21661	0.6
194.05779	3.6
194.65361	0.6
195.02853	2.3
195.06548	75.7
196.06923	3.0
201.05424	0.7
202.06306	1.1
203.03485	0.9
205.04999	4.0
205.08542	1.0
207.06557	2.5
209.04581	0.8
209.08101	1.3
210.05281	12.1
211.05865	0.8
219.06670	1.3
220.07368	3.7
221.08051	0.9
223.05959	0.5
225.07625	61.6
226.08015	3.2
301.07495	0.6
309.07358	0.5
324.05536	0.5
355.07956	0.6
359.11392	2.6
360.11502	0.7
371.11292	1.0
372.12338	0.8
385.12973	0.8
386.13739	1.9
387.10080	5.4
387.15076	6.3
388.10788	0.9
388.15253	0.7
402.13162	4.7
403.13971	2.6
416.14932	3.3
417.15524	59.8
418.15778	5.5
431.09836	0.8
535.16241	0.9
536.86676	0.7
545.33752	0.7
565.16510	3.3
580.19952	1.3
587.68909	0.6
595.21808	57.5
596.22162	9.6
613.23206	1.4
625.23401	0.9
643.23889	21.4
644.24030	4.6
847.42194	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	841.5137
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01240	3.3
60.27132	0.7
61.98707	5.8
63.96111	2.2
69.03304	1.0
70.42368	2.4
71.01256	11.7
73.02803	2.7
78.95792	2.3
78.98460	7.8
79.95602	17.8
80.96388	100.0
81.96308	0.8
83.01247	0.7
85.02819	4.6
87.00751	4.5
89.40269	0.8
94.97959	20.4
96.95880	2.1
97.02821	1.5
98.20500	0.8
99.29270	0.6
101.02309	2.7
106.59228	0.8
106.97977	4.0
122.97451	4.9
125.02358	3.5
127.03860	1.2
134.97473	6.6
136.99030	2.5
148.99026	5.9
152.98486	5.3
152.99496	1.4
164.98541	13.5
202.92744	0.7
206.99628	3.2
220.63432	0.6
225.00690	18.3
235.91724	0.7
279.23190	7.6
280.23529	1.7
281.24582	1.0
295.48312	0.7
421.06937	0.8
489.73398	0.7
561.27319	2.7
562.27722	0.8
773.41736	0.8
841.51361	93.3
842.51709	23.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	842.5546
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01241	0.7
78.95774	11.1
83.04897	0.5
96.96841	0.3
97.06477	0.4
107.04902	0.8
109.06496	0.4
111.08025	0.5
113.09624	0.5
119.04939	0.4
123.08009	0.3
125.09605	0.9
141.09135	0.5
151.11198	0.4
152.99492	1.4
153.09067	0.3
163.11226	0.6
165.09129	0.4
165.12761	4.7
168.04185	1.3
181.12222	0.6
183.13814	0.8
191.10638	0.3
191.14343	0.9
193.12260	1.1
193.15938	0.3
194.05788	0.3
195.13828	0.2
209.11781	0.5
217.15836	1.1
224.06848	4.3
230.11028	0.3
242.07956	1.1
245.23985	0.2
247.20596	2.0
248.20943	0.5
261.22299	0.2
263.20184	0.4
273.18610	3.1
279.23282	42.2
280.23660	4.1
291.19653	46.7
292.19977	4.6
299.25516	0.3
308.19897	1.6
323.22247	100.0
324.22589	9.3
387.88089	0.3
461.81177	0.2
504.30951	37.1
505.31235	4.9
750.75146	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	839.4068
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	100.0
61.98709	19.5
69.03339	3.8
69.97452	2.4
71.01251	98.7
72.99181	5.7
73.02816	35.1
75.00787	3.0
76.59888	2.4
81.03340	2.6
83.01256	24.0
83.04903	2.5
85.02822	59.5
87.00740	13.6
89.02312	16.9
90.73774	2.1
91.74664	3.1
95.01251	12.2
95.76163	2.2
96.95877	4.5
97.02808	10.7
98.20570	6.0
99.00761	14.5
101.02322	72.0
109.02831	4.0
111.00749	6.2
113.02329	51.7
116.92736	2.6
119.03394	6.7
125.02353	13.0
135.04451	3.4
143.03400	17.0
150.03107	4.1
157.46841	2.3
159.02888	3.5
161.04453	21.0
165.05530	4.0
171.10181	2.9
174.01645	3.5
175.02458	4.9
179.05362	3.8
209.11678	3.6
211.13336	7.3
221.06589	3.5
230.27229	2.9
245.06714	4.2
263.07739	2.7
397.13477	3.1
397.27246	4.2
421.72183	2.8
429.30029	5.5
473.28748	6.6
497.15594	2.2
525.32227	8.8
584.22028	2.4
591.35382	49.5
592.35504	7.6
598.29932	2.4
622.82605	2.6
735.39532	35.7
736.39648	6.4
753.40704	63.3
754.41119	10.4
779.45947	13.9
780.45966	3.7
795.41583	80.2
796.42279	16.1
797.46692	7.9
803.40808	3.9
839.47314	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	839.3357
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00990	1.8
59.01247	17.1
61.98687	2.8
69.21510	12.5
70.30161	1.2
71.01242	9.8
72.99184	2.0
73.02847	1.7
80.04944	4.2
81.00864	1.3
85.02814	5.9
87.00757	3.2
89.02325	3.8
94.02869	5.9
94.06496	6.8
96.04424	4.3
96.95892	1.5
101.02321	4.7
104.04955	2.2
106.06479	5.8
107.03621	7.7
108.04424	2.8
110.05960	3.2
113.02343	2.3
119.03419	1.5
120.04465	2.4
120.08091	23.5
122.06013	54.8
123.06303	2.1
124.07552	3.3
132.04416	4.0
133.04912	1.6
134.06026	14.4
136.07533	1.9
138.05493	12.3
139.02672	3.0
147.03262	1.5
148.03897	1.7
150.05518	3.1
152.07089	96.4
153.07422	4.4
160.03946	2.2
161.04659	3.4
164.07072	2.8
175.02371	2.3
190.05040	7.1
198.49196	1.3
213.10300	4.0
215.11815	2.7
218.32402	1.7
223.08713	6.5
224.09521	3.8
225.10237	5.0
226.11136	1.4
227.11807	2.1
236.09618	1.7
237.10332	11.8
238.10988	4.5
239.11807	11.0
241.13281	3.3
245.12944	3.9
249.06595	2.7
249.10318	2.8
250.07475	2.5
251.08141	5.1
251.11873	8.6
252.09093	2.0
252.12491	1.7
253.06183	1.6
253.09711	1.4
253.13425	1.5
263.08279	9.8
263.10809	1.4
263.11981	1.5
264.08957	11.4
264.11887	2.4
265.09787	10.3
267.11353	4.8
269.13110	2.2
271.10883	3.3
276.08740	1.8
277.09775	7.5
278.10410	6.4
279.08237	1.7
279.11359	31.9
280.08694	1.5
280.11957	7.1
281.09296	2.8
281.12802	3.6
283.10904	3.0
285.12405	8.2
287.10281	1.6
287.13983	1.5
291.11398	12.0
292.09030	1.8
292.12024	7.5
293.09460	1.8
293.12756	2.4
295.10837	6.2
296.11459	3.5
297.12167	2.3
305.09225	1.6
305.12878	1.4
313.11917	3.5
323.10425	9.4
324.11090	7.6
325.11844	3.7
332.17831	1.8
334.15512	4.7
355.12982	2.3
358.15781	2.5
370.15482	2.1
372.16904	1.8
376.16498	4.5
379.19476	1.9
384.17099	1.4
388.16553	6.3
400.16278	3.0
402.18298	4.7
412.16599	2.2
417.20413	3.6
420.15265	1.8
426.18039	2.0
443.18546	3.5
444.19583	6.6
445.19858	3.2
448.18759	3.9
449.19620	1.8
457.16245	1.9
460.18973	1.7
461.19501	10.6
471.17822	7.5
472.18161	1.7
488.18304	9.9
489.19043	23.7
490.19217	3.9
499.23264	1.6
520.20844	21.1
521.20923	4.9
541.24469	7.8
557.23505	2.1
585.23560	51.3
586.23572	7.4
609.23346	4.1
617.26166	100.0
618.26379	15.4
641.25696	4.0
642.26892	1.7
789.29950	18.9
790.30151	4.0
807.30835	89.7
808.31512	16.8
821.32349	12.8
822.31512	2.6
839.33453	33.5
840.33813	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	839.3355
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	24.4
61.98700	1.8
71.01252	17.3
82.02825	1.6
85.02818	3.9
87.00735	1.8
89.02319	13.0
94.02853	18.9
94.06494	1.4
95.01270	1.9
101.02310	8.5
106.06493	5.2
108.04458	2.1
113.02346	5.5
119.03410	4.6
120.08078	13.0
122.05987	4.0
128.08107	1.3
132.04433	1.7
134.06007	27.3
135.06366	1.9
136.03937	1.2
138.05496	7.4
150.05487	2.3
150.22682	1.2
152.07097	8.4
161.04497	1.5
174.05496	1.5
175.02551	1.3
190.05013	4.4
194.07948	1.2
223.08690	3.0
224.09256	1.3
236.09663	1.3
237.10269	4.6
238.03764	1.3
238.11069	1.8
239.11868	6.9
249.06689	2.4
249.10378	2.2
251.08337	3.1
251.11821	5.7
263.08197	7.2
263.11996	1.9
264.09055	6.1
265.09875	6.6
276.09015	1.6
277.09833	7.3
277.12341	1.4
278.10535	2.6
279.11417	19.2
280.11996	5.5
281.12912	3.3
283.10660	1.4
291.11401	6.1
292.12112	4.5
293.12802	3.8
294.13815	1.3
305.09286	2.1
307.10999	1.7
314.12573	2.0
323.10406	2.4
324.11050	4.6
325.11725	2.9
337.11935	1.8
370.15707	1.7
372.17105	1.5
384.17215	2.0
426.18344	2.1
430.17770	1.5
444.19266	2.7
460.18622	1.8
462.20303	2.6
471.18307	1.4
472.18588	2.9
473.19388	2.3
490.20007	6.3
606.24200	2.3
623.23932	1.6
633.22736	2.1
650.23700	5.9
651.24243	7.1
682.25848	7.0
683.26520	1.5
747.28699	23.1
748.29535	5.5
779.31427	30.5
780.31604	5.0
789.29907	15.8
790.30017	4.0
807.30908	100.0
808.30963	21.8
821.31989	11.1
822.32373	2.8
839.33466	38.3
840.33734	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	837.4987
Annotation	Unknow
Peak:m/z	Relative Intensity
58.36631	0.4
59.01267	0.8
59.38914	0.4
61.98702	6.3
69.03326	0.6
71.01277	0.5
78.48757	0.4
78.95815	0.5
79.95622	0.4
80.02586	0.4
80.96367	2.0
83.04948	0.5
87.00768	0.4
94.98015	0.6
95.01325	0.4
95.04889	0.5
96.95914	1.0
97.02873	1.0
97.06492	0.6
123.08057	0.6
125.05991	0.7
125.09653	1.5
137.09631	0.9
139.11235	0.4
153.12822	0.5
158.22386	0.4
162.10521	0.5
163.11203	2.3
164.11656	0.5
164.98575	0.5
165.12766	5.4
166.09917	0.5
166.13171	0.4
171.10133	0.8
179.14375	1.8
181.12325	1.8
185.11729	0.7
193.15955	1.5
197.11749	0.7
198.42729	0.5
207.10204	0.6
209.11777	2.4
209.15457	0.5
211.13338	0.5
214.09511	0.4
223.13422	1.6
247.20645	6.6
248.20996	0.7
253.09343	0.6
273.18515	2.5
278.37686	0.5
291.19653	54.3
292.20047	3.9
309.20685	100.0
310.21024	6.6
318.92938	0.4
527.28339	1.0
837.38708	1.9
838.37476	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.5365
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	1.0
61.98696	0.2
68.67406	0.2
69.03317	0.3
71.01247	0.6
71.04884	0.3
78.95794	0.2
80.02541	0.2
81.03335	0.3
83.04873	0.3
85.02795	0.2
89.02307	0.5
97.06454	0.3
101.02315	0.5
107.08547	0.3
109.06462	1.3
111.08027	0.4
113.02331	0.4
117.75062	0.2
125.09579	1.4
127.07567	0.3
133.57405	0.2
135.07985	0.3
137.05956	0.5
143.03378	0.3
151.11159	1.0
153.09119	0.2
153.12753	3.6
154.13031	0.2
163.11191	0.8
165.12741	0.6
167.10672	0.3
169.12206	0.4
177.12717	0.3
179.14310	2.5
181.12254	8.0
182.12627	0.5
197.11679	1.0
207.13847	6.5
207.15390	0.2
208.14194	0.3
213.14857	0.3
215.12727	0.3
221.11690	0.4
223.13289	0.5
229.19504	0.2
235.08066	0.2
239.12840	1.1
245.19119	0.3
247.20540	1.3
253.09258	2.3
263.20129	1.5
273.18616	1.8
274.18869	0.2
277.21695	13.8
278.21988	1.2
291.19653	23.5
292.19943	2.0
293.21094	0.3
295.22836	0.4
305.21298	1.8
306.21304	0.3
308.19958	1.7
309.20493	1.0
323.22235	100.0
324.22568	8.1
716.76764	0.2
745.36066	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.3826
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02838	1.8
65.93215	0.6
66.03345	1.7
70.80386	1.3
71.02362	2.6
72.00783	5.1
73.03945	4.6
74.02340	3.6
83.02359	1.3
83.41758	0.6
93.03335	17.3
95.02376	0.6
97.00295	0.8
98.01097	0.8
99.01879	19.9
106.04113	3.3
107.04910	4.5
108.02043	1.1
108.59709	0.6
110.05983	0.7
111.01871	2.0
111.05522	1.8
115.08656	3.0
117.03323	2.5
118.06493	1.6
119.04914	51.4
120.05228	1.0
125.07074	2.0
125.21066	0.6
127.08653	2.7
130.18060	0.6
131.03667	15.6
133.05193	2.2
134.06018	10.7
135.04349	1.2
135.05333	0.6
136.07582	4.1
137.03455	2.6
137.06998	1.6
139.04985	1.2
141.06592	5.6
144.04420	0.7
145.02834	2.7
146.06029	3.2
147.04362	1.8
153.06609	19.5
153.67688	0.7
155.08163	2.3
157.05196	1.7
158.05946	0.7
162.05537	6.3
163.02574	0.8
163.03911	14.2
164.07103	3.2
166.07343	0.7
172.09554	0.9
172.10829	8.3
174.05482	0.8
176.07082	1.8
178.08490	0.8
180.06584	52.1
181.06879	2.9
188.07121	4.5
190.04945	0.8
191.08218	3.9
193.09737	5.7
198.09169	3.0
200.10756	3.0
202.04971	1.0
205.09763	1.6
206.08112	2.0
209.12863	2.4
219.07704	3.5
226.15552	3.3
241.09961	0.8
244.09770	16.3
248.13907	0.9
257.12897	0.8
263.14020	5.0
265.16757	0.9
282.11346	17.0
283.11572	1.2
283.17865	1.4
292.16629	3.3
299.14157	3.2
302.15082	0.7
303.18106	0.8
308.09204	0.7
308.16214	2.0
318.14493	2.0
385.23029	0.7
398.20895	1.1
403.19464	2.1
403.24188	3.9
497.90323	0.7
509.27597	0.9
536.23529	1.0
553.26697	0.8
579.24091	0.9
592.27734	6.4
648.30383	21.1
649.30585	4.2
793.38898	1.7
837.38202	100.0
838.38531	28.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.3822
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02845	2.0
60.66269	1.0
70.89140	1.7
70.89473	2.0
71.02361	2.3
72.00780	6.9
72.98385	1.3
73.03923	5.7
74.02312	2.9
83.02363	1.4
87.70454	1.2
93.03317	18.7
99.01308	1.4
99.01887	20.0
103.54974	1.2
103.94955	1.1
106.04108	4.8
107.04938	5.8
108.02012	1.6
111.05509	2.7
113.03456	1.6
115.08636	2.7
118.06492	2.6
119.04903	55.2
120.05216	2.1
125.07068	1.9
125.74146	1.4
127.08646	3.8
131.03654	13.7
133.05203	2.3
134.06050	9.5
136.07582	5.4
137.03455	3.3
137.07072	1.6
139.04942	1.3
141.06561	5.2
144.04482	1.4
145.02815	3.7
146.06015	6.3
153.06592	17.8
154.07045	1.7
155.08124	2.3
157.05161	1.6
162.05487	5.2
163.03889	14.1
164.07018	1.4
172.10794	8.2
174.05345	1.3
176.07095	2.0
180.06586	61.8
181.06854	2.3
188.07156	5.9
190.04974	1.5
191.08124	2.2
193.09805	6.3
198.09125	3.0
200.10811	2.4
202.05136	1.4
209.12857	3.1
219.07697	3.7
222.12546	1.4
226.15492	4.6
244.09737	14.9
257.12930	1.9
263.13989	5.1
282.11377	18.7
292.16592	2.1
299.13947	3.9
308.16150	2.3
312.82776	1.5
386.20593	1.2
398.20663	1.8
403.19012	2.3
403.24088	5.9
509.28003	1.4
544.38214	1.3
574.98120	1.3
592.27710	4.7
615.28271	1.5
624.35187	1.2
648.30194	16.5
649.30426	3.3
774.88568	1.4
837.38153	100.0
838.38434	34.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.3822
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02839	1.8
61.46733	0.8
66.03349	1.7
67.10215	0.7
68.31118	0.7
69.98285	1.5
69.98678	1.9
71.02360	1.8
72.00776	3.1
73.03937	2.6
74.02332	3.2
82.01591	1.1
83.02367	1.9
85.03933	0.9
87.05477	0.9
88.05826	0.8
91.22789	1.0
99.01884	12.7
102.34207	0.8
107.04903	3.6
110.36373	0.7
111.01877	1.3
111.05529	1.0
112.07497	0.8
113.03419	1.0
115.08651	2.8
118.06486	1.3
119.04910	13.7
120.05698	0.7
121.06430	1.3
125.07084	1.3
131.03638	5.9
132.05681	2.8
133.06470	3.7
134.05974	0.8
135.04398	1.0
135.05484	1.0
137.03384	1.8
137.07063	1.1
141.06589	5.8
145.02881	1.2
146.05983	3.3
147.04391	1.3
147.06763	0.9
148.07608	3.9
154.09731	0.9
155.08160	1.3
157.05453	0.8
162.05481	2.8
164.04689	1.8
164.07053	3.0
172.10869	9.3
173.09592	1.2
174.05539	1.0
176.07069	2.7
176.10727	2.8
176.41864	0.8
179.08109	1.0
179.11778	1.6
180.06566	0.9
184.07664	0.7
185.09692	1.5
188.07077	4.1
190.12311	1.3
193.09770	1.3
198.09077	2.9
200.10692	2.2
202.04993	0.9
202.12303	5.9
213.09155	1.1
215.11845	1.0
219.14780	1.1
230.11815	1.7
244.09734	6.3
246.11444	1.2
247.14467	2.7
261.12335	1.1
263.13995	18.4
274.10876	0.9
281.16516	1.2
287.13788	1.1
291.13376	2.4
308.16156	5.5
311.17508	1.6
342.18213	3.1
365.18552	1.2
368.15826	0.9
368.19775	1.5
385.18530	1.7
386.20956	1.1
403.19244	7.1
403.23721	2.6
473.57843	0.7
492.24756	1.3
509.27548	1.9
510.27789	1.0
543.92572	0.8
547.93933	0.9
553.26294	1.3
579.24255	1.3
592.27960	1.5
604.31580	1.7
648.30212	10.3
649.30609	1.3
724.34003	1.0
793.38879	1.3
795.36841	1.1
837.38165	100.0
838.38507	26.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.3205
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	22.1
61.98704	14.0
65.38464	2.7
71.01262	12.5
71.50220	2.7
72.99161	3.5
73.02818	3.4
73.24334	2.7
75.60791	3.5
79.95583	2.2
83.01250	2.6
85.02850	4.2
87.00748	7.8
89.02281	4.5
96.95902	19.2
97.92242	2.7
101.02314	8.4
108.04424	4.7
113.02315	7.4
115.00259	4.1
116.92746	4.6
122.06009	13.2
133.65897	2.5
134.87381	2.5
137.02335	5.2
143.04469	4.1
149.02313	3.8
149.04715	7.8
150.05522	16.3
151.07584	2.5
165.01859	5.3
165.05508	2.6
166.02693	3.3
175.02402	6.5
179.03331	3.5
180.04123	3.1
195.06541	6.3
209.11781	5.0
211.13396	3.9
252.09036	3.9
267.11407	18.0
269.13022	3.4
279.11472	3.5
295.10818	24.0
325.12000	3.2
356.41107	2.6
359.13553	3.0
360.13626	4.1
370.15103	2.8
373.15186	2.7
374.18951	3.5
375.17181	5.7
386.14978	3.3
390.18405	3.7
397.13715	3.8
402.14502	9.1
403.14499	2.9
416.16116	5.6
418.12271	5.2
418.17746	90.9
419.18015	11.2
430.17776	28.3
431.18106	3.1
444.15482	5.3
456.15790	4.1
537.20917	5.3
539.23126	2.8
563.22894	2.9
581.20331	5.4
583.21997	5.5
723.34686	2.8
743.29291	48.0
744.30212	10.3
761.30432	53.8
762.30841	14.4
787.28522	30.7
788.28827	7.0
789.27118	4.4
805.29346	100.0
805.44214	5.7
806.29675	24.1
837.32904	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	837.3199
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00475	0.9
59.01248	16.9
71.01250	11.1
71.50272	0.6
72.99165	1.5
73.02813	1.3
74.48017	0.6
75.00734	0.5
80.04934	1.5
81.03304	0.6
83.01237	0.9
85.02809	2.3
87.00751	2.2
89.02316	6.3
94.02837	1.5
94.06474	0.8
95.01269	0.7
96.95876	0.7
99.00731	0.6
101.02322	6.4
106.06485	2.8
108.04414	2.6
113.02350	4.1
119.03367	2.2
120.04417	1.1
120.08076	1.2
121.02843	0.8
122.05994	5.1
124.03941	2.9
132.04431	1.6
134.06001	15.9
136.03944	4.4
138.05486	2.7
147.05524	1.9
148.03926	1.2
150.03047	0.8
150.05495	4.3
152.07112	3.6
158.02330	0.9
159.10210	0.8
160.03873	1.1
161.03397	0.7
161.04562	0.9
165.01768	1.1
165.05455	1.1
168.06561	2.6
174.05493	0.8
175.02397	1.3
175.05034	1.6
180.04172	0.7
185.07097	0.6
190.05013	2.5
195.06500	0.8
201.10228	7.9
213.10283	3.3
215.11806	0.9
224.09370	1.0
227.08151	0.6
227.11847	3.4
229.09808	8.4
229.13353	4.4
235.08763	0.8
237.10263	0.8
239.11823	3.0
241.09705	1.3
243.11371	1.2
245.12929	1.6
247.10829	0.9
251.08066	0.6
251.11781	1.0
255.11426	3.3
257.12912	2.7
265.09753	0.7
267.11407	1.4
273.08670	0.6
273.12433	1.8
277.09879	1.1
279.11475	1.9
285.12512	0.7
287.10324	0.9
289.11823	2.2
295.10812	1.4
301.11923	8.2
309.12271	0.9
314.12439	1.0
317.11615	0.7
319.12997	19.7
320.13281	2.1
327.04922	1.0
330.12332	0.8
330.16071	0.7
331.13660	0.7
332.14023	0.9
337.11880	1.4
342.12857	0.9
344.14209	0.8
356.17636	1.0
358.11801	1.1
370.15671	0.9
372.13434	1.1
374.15005	2.9
386.15256	1.2
388.12570	0.9
391.15372	1.1
392.16193	3.1
398.15030	0.9
400.12750	1.2
403.15292	0.8
404.16086	0.9
416.16037	3.1
418.13901	1.8
428.16318	0.9
432.15582	2.5
434.17065	2.5
446.17087	3.3
447.17767	0.8
460.15222	1.2
478.16217	1.4
517.18036	0.9
553.24658	0.8
573.09479	1.0
607.22052	1.3
657.24609	0.8
670.94025	0.8
693.29840	0.8
719.29077	1.4
761.30646	4.0
762.31030	0.8
777.29248	1.4
787.28778	1.3
805.29297	100.0
806.29681	21.2
837.31940	26.2
838.32239	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.3199
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	18.3
61.98696	8.9
63.47812	1.1
65.75845	1.1
69.51115	7.2
70.18079	1.2
70.81348	1.1
71.01260	9.7
72.99174	2.3
73.32060	0.9
74.64231	1.3
80.04919	4.0
85.02831	3.0
86.37334	1.1
87.00746	8.3
89.02313	6.2
94.06509	1.2
96.95868	3.2
99.00718	1.2
101.02330	5.8
103.62288	1.3
104.04925	2.0
106.06492	1.6
107.03685	2.8
108.04417	2.4
113.02292	3.3
122.06004	21.3
132.04410	2.6
134.05984	4.4
136.03979	1.7
137.04707	1.4
138.05463	2.8
142.23843	1.1
148.03969	2.8
150.03084	2.3
150.05492	4.9
152.07069	34.0
155.03821	1.1
160.04004	1.7
161.04495	1.8
165.05423	1.7
174.05553	2.4
175.02348	1.7
175.05077	1.5
187.08655	2.4
190.05038	2.6
195.06485	4.1
201.10277	3.4
207.47113	1.1
209.08119	1.4
213.10323	5.5
215.11751	1.8
227.11797	2.9
228.12517	3.0
229.09831	9.7
229.13419	2.0
237.10181	3.0
239.11894	5.4
241.09721	3.6
245.12938	4.1
255.11316	5.7
256.11987	3.4
257.12790	5.9
259.10880	8.3
265.09625	2.7
267.11447	1.6
283.10797	1.9
285.12643	2.1
295.10876	3.1
300.11121	6.0
301.11908	27.7
302.12173	2.4
309.12204	1.8
313.11957	1.8
323.10217	6.4
332.14056	2.2
355.12930	3.7
356.13882	1.9
358.11993	1.6
372.13550	3.2
373.14243	4.5
373.18607	1.1
374.15063	4.1
384.13437	1.3
386.15063	1.9
388.16553	1.4
398.15161	1.6
400.12753	3.0
410.15210	1.5
415.14920	1.6
416.16025	2.5
481.18246	12.6
482.18393	1.9
539.22742	1.6
567.21979	2.4
583.22302	2.0
615.24469	1.4
719.29340	3.4
761.30536	5.7
764.29376	1.8
805.29333	100.0
806.29633	21.1
835.77368	1.3
837.31836	44.2
838.32666	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	837.3197
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	6.4
61.98682	1.8
70.90730	2.5
71.01247	3.9
72.99198	1.1
75.17882	0.7
79.67383	0.7
80.04926	1.2
83.01270	0.9
85.02808	1.3
87.00753	1.6
89.02319	1.6
94.06480	1.0
96.95892	1.6
101.02319	1.7
106.06499	1.6
108.04475	4.7
108.08070	20.3
109.08376	0.9
122.05992	11.1
124.07602	1.4
132.04436	8.5
134.06000	7.7
145.05119	0.8
146.02319	1.0
147.03131	1.8
148.03979	1.3
149.04745	4.1
150.03107	0.8
150.05504	22.7
152.06995	1.8
158.02354	3.4
160.03958	8.7
161.04611	1.3
162.05516	5.7
164.07002	0.9
175.02496	0.9
176.03427	4.7
176.07083	2.4
190.05019	20.1
191.05611	1.2
192.06525	4.2
195.06538	1.0
198.04239	1.5
209.07217	0.9
211.08621	0.9
211.12303	1.8
212.10750	1.7
215.11789	3.5
221.88315	0.8
223.08664	1.7
224.07512	1.0
224.09457	6.0
225.06471	1.6
226.07414	1.5
227.08139	5.0
229.13380	2.5
237.10207	1.9
238.08705	1.9
239.08220	2.2
239.11830	20.2
240.10368	4.8
240.12398	1.3
241.09836	7.1
249.10030	0.8
253.06192	13.4
253.09756	2.5
253.13339	2.8
254.06570	1.5
255.07675	3.2
255.11314	5.6
256.11774	1.0
265.09778	4.2
266.06912	1.7
267.07748	8.5
268.08533	9.5
269.12878	1.1
270.06558	1.0
271.14505	14.5
279.11356	1.0
281.09326	10.5
282.10046	1.2
283.10873	100.0
284.11185	7.3
285.08603	1.2
287.10464	1.0
294.06433	1.1
299.10382	1.2
302.08411	0.9
309.08795	21.9
310.09103	2.0
313.11841	2.1
315.13416	3.9
327.09811	13.3
341.11380	9.5
353.07666	0.9
359.12457	10.2
385.10461	2.1
418.17535	1.5
430.17529	2.6
482.10602	0.9
539.23010	1.5
563.22797	0.9
583.21979	4.3
600.83209	0.9
615.24469	16.5
616.24750	3.2
639.24469	5.0
652.03430	0.9
677.67535	0.9
743.29175	3.6
761.29883	2.8
787.28339	19.1
788.28265	4.5
805.29315	34.5
806.29535	8.9
819.30817	24.4
820.31311	5.6
836.47162	1.1
837.31885	55.0
838.32178	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	837.3195
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00963	1.4
59.01248	22.6
61.98712	5.8
65.43549	0.8
70.79900	2.2
71.01252	12.1
72.99183	2.0
73.02778	1.0
78.95748	1.1
80.04926	5.9
80.05328	1.0
83.01241	1.4
85.02811	3.1
87.00740	7.0
89.02315	6.5
94.02837	1.5
94.06490	2.6
95.01263	1.1
96.04397	1.4
96.95864	3.0
101.02332	5.2
101.02913	1.0
104.04956	2.3
106.06477	3.3
107.03631	3.5
108.04400	2.9
113.02292	3.1
115.00211	1.3
119.03320	1.7
120.04424	1.6
120.08020	2.2
122.05142	1.8
122.06000	21.3
124.03936	1.1
132.04375	1.7
134.03661	1.1
134.04964	0.9
134.05965	4.7
136.03918	2.9
138.05453	2.7
139.02629	1.3
147.05498	1.2
148.03940	2.7
149.02248	0.9
150.03076	3.3
150.05559	6.9
152.07071	31.7
153.07379	1.3
160.03935	1.4
165.05463	3.5
174.01505	0.9
174.05447	2.3
175.02400	1.6
175.05028	1.7
176.05774	1.0
187.08690	3.2
190.04982	3.4
195.06499	2.5
196.62813	0.9
200.09335	1.0
201.10226	3.8
209.08035	1.8
211.08598	1.3
213.10239	4.6
215.11783	3.2
225.10269	2.1
227.08165	1.1
227.11777	2.5
228.12538	3.5
229.09781	9.9
229.13257	2.6
237.10167	2.0
239.11790	4.2
241.09795	3.6
242.10440	1.4
245.12817	4.0
249.06642	1.2
255.11348	6.3
256.12180	4.8
257.12918	6.7
259.10806	8.8
265.09750	2.6
267.11429	2.5
277.09540	1.1
280.12238	1.0
280.55859	0.9
283.10797	1.5
285.03946	1.3
293.09244	2.3
295.10776	2.9
300.11096	8.1
301.11899	34.4
302.12265	2.4
309.12228	1.5
313.11835	1.2
323.10272	6.4
325.11771	1.9
332.13681	1.4
341.11325	1.3
343.04337	1.1
344.13898	2.9
346.15396	1.0
355.13107	4.6
356.13913	2.0
358.11911	2.1
361.18460	1.3
362.15045	1.0
372.13348	1.8
373.14362	7.2
374.15305	4.5
386.15225	1.4
388.16437	1.3
398.14789	1.7
400.12924	3.6
415.15222	2.6
416.15732	1.3
463.16937	1.5
477.29678	1.1
481.18341	14.4
482.18558	1.6
539.22546	1.7
567.22150	2.0
615.24823	1.2
657.25043	1.6
719.28979	3.1
761.29413	6.6
762.30438	1.4
764.28668	2.0
787.27631	1.9
805.29352	100.0
806.29633	25.6
837.31677	40.3
838.32306	12.0
844.32062	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.3969
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00465	2.6
58.73399	1.2
59.01251	29.0
60.01590	1.3
60.67487	1.6
61.98702	56.2
62.01242	1.3
64.34490	1.2
69.03319	2.9
71.01253	100.0
71.04877	1.5
71.51157	1.1
72.99178	2.7
73.02813	5.2
75.00706	1.8
78.95782	3.4
80.02538	1.7
80.96394	4.0
81.03291	1.4
83.01262	3.7
83.04878	3.6
83.64056	1.2
85.02822	7.9
87.00768	7.7
89.02311	17.8
95.01215	1.9
96.95872	2.4
97.02822	5.6
97.06467	2.1
99.00742	5.9
101.02324	16.4
109.06477	5.1
111.00771	2.5
113.02307	11.8
119.03358	4.6
125.02331	6.0
125.09607	2.8
127.11200	1.5
135.08022	2.7
143.03401	3.8
145.05081	1.5
161.04474	3.6
163.11209	6.5
165.12735	2.4
171.10182	13.6
171.25365	1.3
179.05560	5.7
181.12289	5.4
183.13878	9.2
185.11682	2.3
193.12428	1.9
197.11736	1.5
199.13329	13.6
201.11249	11.5
207.10210	21.6
208.10512	1.8
209.11760	43.0
210.12157	3.4
211.13329	61.8
212.13742	3.4
215.12865	1.6
221.06599	3.5
225.11267	21.2
227.12842	40.0
228.13176	2.1
229.14413	2.4
235.08104	5.0
243.12228	1.4
253.14458	2.0
379.12268	2.8
383.22214	2.6
391.24869	1.9
397.13461	31.2
398.13910	2.6
401.23315	4.2
410.94882	1.3
415.14648	9.3
419.24374	4.3
605.24402	2.5
607.26196	1.9
623.25616	2.4
625.26917	3.8
799.37933	8.5
817.38220	12.0
818.38330	6.5
835.39453	18.5
836.40094	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	835.367
Annotation	Unknow
Peak:m/z	Relative Intensity
60.20297	0.5
66.03363	0.8
68.17928	0.7
70.53159	1.6
71.02394	2.1
72.01121	0.5
73.03941	4.8
74.02335	2.7
78.95778	0.8
83.02387	0.8
84.00790	0.8
93.03335	13.8
95.62113	0.6
99.01868	8.9
106.04156	2.2
106.93664	0.6
107.04904	3.1
108.02074	0.6
109.02996	0.5
109.03938	0.6
111.01913	1.7
111.05557	0.7
115.08662	1.8
116.04941	6.0
117.03347	0.8
118.06499	0.7
119.04910	32.5
120.05280	1.0
125.07145	1.1
127.08682	1.9
131.03770	0.7
133.05251	1.3
134.06001	9.2
136.07570	4.2
137.07130	1.3
141.06613	3.0
144.97543	0.5
145.02850	1.8
147.04390	0.7
153.06601	4.0
154.09845	0.8
155.08151	1.0
157.05290	0.7
160.03952	0.8
163.03915	10.9
164.04239	0.6
172.10828	9.2
173.37402	0.5
174.05551	0.8
176.07098	1.1
179.08211	1.2
179.11908	0.7
180.06572	50.3
181.06938	1.9
182.09233	0.7
185.07137	0.8
186.05487	3.4
187.05072	0.6
190.04997	1.0
191.08255	2.0
193.09741	4.2
200.10817	2.1
202.05023	0.9
209.12958	2.1
213.10428	0.8
219.07680	1.5
222.12535	1.0
226.15610	2.5
239.08167	1.0
244.09756	1.8
263.14130	1.7
265.16818	1.0
282.11362	10.3
283.11703	1.2
283.17810	1.4
290.15179	0.6
292.16592	3.5
296.45526	0.7
299.13995	2.0
303.04819	0.6
308.09393	0.7
308.16168	0.9
318.14575	1.4
321.19370	0.6
342.18112	0.8
356.19754	0.8
398.21127	0.8
403.18970	4.3
403.24506	3.8
498.27121	0.6
509.27591	0.8
518.41895	0.7
536.23993	1.5
542.25793	1.0
553.26501	1.6
579.24493	2.5
590.26202	0.8
595.27319	3.5
604.31635	1.9
646.28387	1.0
648.30341	100.0
649.30682	18.2
725.30811	2.0
775.33752	0.9
776.34143	1.3
793.35840	1.2
835.36670	23.3
836.36877	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	835.3671
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02844	1.4
66.03340	1.7
70.27313	2.0
71.02378	2.2
72.00786	3.0
72.20070	1.1
72.31937	0.9
73.03932	3.3
74.02339	1.4
78.95759	4.6
83.02383	2.5
93.03336	5.3
97.00320	1.4
98.01066	1.2
99.01878	14.2
107.04898	3.1
107.44014	0.9
107.90211	1.0
108.04461	2.3
111.01882	3.1
111.05507	3.2
115.08632	2.4
117.03338	2.7
118.06488	1.7
119.04918	33.3
120.05245	1.2
125.07070	3.6
131.03659	11.8
132.05676	2.7
133.05197	1.7
133.06447	2.7
134.06003	5.7
137.03474	1.9
137.07106	1.9
139.04996	2.2
141.06586	19.7
145.02866	2.2
146.06009	4.2
147.07953	1.4
148.07576	3.9
150.04335	1.1
151.05014	3.5
152.99474	1.3
153.06599	2.0
155.08199	4.4
157.05229	1.6
159.08035	1.8
160.03926	1.2
162.05513	4.1
163.03925	3.6
164.07138	1.3
172.10864	6.6
173.07219	1.0
173.09648	2.2
176.07129	1.4
177.10359	1.1
179.08162	1.8
180.06596	9.9
185.09657	4.1
188.07059	5.5
188.10777	1.3
191.08246	2.0
193.09720	1.7
198.09003	3.0
200.10695	3.5
202.12402	5.4
206.08186	1.5
210.09024	1.3
217.13353	1.1
226.08673	1.4
228.10226	2.9
241.01137	1.2
244.09789	11.9
245.12766	2.1
246.11301	2.0
255.23256	2.6
256.23691	1.9
261.12448	4.8
263.13919	1.4
279.23178	2.3
280.23328	0.9
282.11246	5.4
289.11993	5.7
306.14713	2.7
348.15942	1.6
384.19452	1.9
401.18182	3.2
486.42905	1.0
490.23962	1.2
534.22717	2.8
551.25073	1.9
577.23218	1.7
590.26770	5.5
646.28723	18.3
647.29254	3.8
657.14465	1.2
791.37793	1.9
834.52039	2.2
835.36786	100.0
835.51129	3.7
836.37018	22.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.3671
Annotation	Unknow
Peak:m/z	Relative Intensity
59.94460	0.7
61.98707	1.2
66.03358	1.5
69.80365	4.9
71.02370	1.5
73.03943	4.7
74.02354	4.6
78.95780	4.3
93.03334	14.2
99.01884	11.4
106.04103	2.6
107.04896	4.3
108.02052	1.0
110.56802	0.8
111.01892	1.5
111.05512	1.6
115.08662	2.8
116.04943	6.3
117.03333	1.8
118.06512	2.5
119.04916	38.1
120.05222	1.0
125.07152	1.3
127.08658	2.1
131.03645	1.4
132.05724	1.1
133.05244	1.2
133.06372	1.1
134.06006	9.1
135.04416	1.1
136.07579	3.6
137.07095	1.1
138.05544	0.8
138.79544	0.8
141.06581	3.9
144.04439	0.9
145.02808	2.3
147.04379	1.2
148.07666	1.3
152.99449	1.7
153.06599	4.7
155.08151	2.2
157.05287	0.8
163.03925	10.8
172.10818	8.3
173.09602	0.9
176.07047	1.8
176.10609	0.7
180.06581	43.0
181.06915	2.2
185.07077	1.3
186.05557	3.2
188.06943	0.9
191.08147	2.0
193.09755	5.3
200.10710	2.0
202.12321	1.4
209.12827	2.3
219.07637	1.9
226.15544	2.2
241.01105	1.8
244.09737	2.1
255.23245	2.3
256.23511	1.4
261.12283	0.8
263.13937	5.3
275.08759	1.0
279.23318	1.7
280.23523	1.1
282.11346	12.1
283.11734	0.9
283.17847	1.4
292.16711	3.9
299.13885	2.3
308.16129	3.1
318.14514	1.4
334.13818	0.8
342.18420	1.1
403.19144	6.8
403.23682	3.4
532.39648	0.8
541.88794	0.9
542.25830	1.3
579.24438	1.4
595.27808	2.3
604.31458	2.6
648.30347	100.0
649.30640	20.2
725.30774	1.9
824.76013	0.9
834.52191	4.0
835.36603	22.6
835.52582	4.3
836.36951	4.5
844.48962	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.3668
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02851	0.6
59.13169	0.5
61.31541	0.4
64.17249	0.4
67.01676	0.4
69.54359	0.4
69.97494	2.1
71.02383	0.6
72.00792	0.5
73.03920	0.5
74.02356	0.6
75.48323	0.4
82.02844	0.5
83.02364	0.6
85.27739	0.4
89.21989	0.4
93.03308	0.9
95.17258	0.4
98.01080	0.4
98.20438	0.6
99.01896	1.0
105.47624	0.5
107.04921	0.5
108.03201	1.4
108.52654	0.4
109.03955	100.0
110.04302	2.8
117.95333	0.4
118.06515	1.0
119.02402	1.9
119.04897	2.9
122.81695	0.4
128.86847	0.4
133.06506	0.5
135.01888	4.2
141.06595	3.3
146.06058	0.5
148.02650	0.5
148.07571	0.8
155.08159	0.8
161.09654	0.5
162.05504	1.0
167.01804	0.5
172.10771	2.3
181.14824	0.5
188.07088	8.5
190.05075	0.7
212.10594	0.5
213.09160	0.7
230.11812	1.4
239.08170	6.3
256.10913	4.4
274.10770	2.4
291.13461	1.6
298.11966	8.0
299.12268	0.6
316.48575	0.4
386.20825	1.5
401.18332	1.0
414.68942	0.5
492.25037	1.9
507.01367	0.5
536.24091	2.1
573.22821	0.6
590.26147	6.7
591.26575	1.0
646.28760	1.5
675.88947	0.5
791.36749	0.6
835.36737	46.2
836.36768	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	833.519
Annotation	Phosphatidylinositol(34:2)
Peak:m/z	Relative Intensity
59.01253	2.7
70.24519	1.9
78.95777	61.6
79.95617	0.7
80.96394	4.5
82.57914	0.5
94.97952	0.9
96.96841	14.4
99.24509	0.5
106.19287	0.5
122.97457	0.7
134.98419	0.6
152.98341	0.9
152.99504	12.3
164.98470	0.6
223.00090	4.5
230.86853	0.8
241.01151	21.6
242.01436	0.6
255.23279	33.9
256.23566	2.7
259.02145	1.6
261.22171	0.6
277.21686	2.6
279.23291	27.4
280.23624	2.4
297.03827	1.7
310.91306	0.6
391.22552	7.1
415.22232	0.9
553.27887	5.5
554.28143	1.0
571.28705	1.2
577.27631	0.5
665.19000	0.6
833.51794	100.0
834.52197	26.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	833.4542
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00962	0.9
59.01250	16.9
61.98696	2.7
70.83465	2.0
71.01250	16.6
72.99155	1.1
73.02814	1.4
78.95750	1.0
82.54231	0.8
83.01253	1.2
84.18852	0.8
85.02805	2.6
87.00749	8.6
89.02314	88.9
90.02646	1.6
91.88878	0.7
93.48900	0.7
96.95889	2.2
99.00733	1.1
101.02325	4.5
112.89458	0.7
113.02330	3.5
115.00250	7.1
119.03397	1.5
122.06042	1.4
128.03477	0.9
143.04517	1.2
149.05942	2.1
150.06766	26.8
151.07356	0.9
152.07104	2.0
161.04477	1.4
162.06778	5.5
163.07553	17.8
164.08308	3.9
165.05583	1.1
175.02374	10.8
177.09155	3.5
178.09959	0.8
179.03377	1.4
179.10681	10.2
198.22453	0.7
199.27379	0.7
209.08110	1.1
209.11819	0.9
225.11345	1.1
249.20618	0.8
266.04889	0.7
307.34573	0.7
329.23419	1.0
404.29257	5.2
418.22656	0.8
418.30881	13.3
419.31647	17.9
420.32022	2.4
446.33978	1.9
462.10339	0.8
462.33673	4.4
463.34241	7.3
463.87952	0.8
464.34381	1.7
507.32834	1.8
508.33997	3.8
509.34744	5.2
625.23035	1.6
657.25647	5.8
658.26172	0.9
671.40234	8.4
833.45392	100.0
834.46014	21.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	833.4542
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	7.4
61.98704	1.0
71.01253	5.1
71.04880	0.6
71.50268	0.9
73.02816	1.1
78.95760	0.5
81.73005	0.5
85.02813	2.4
87.00745	4.1
89.02313	3.3
95.01263	0.8
96.95904	0.5
99.04378	2.1
101.02337	2.8
113.02308	2.2
115.00222	1.6
118.97960	0.6
119.03383	1.1
125.02299	0.7
135.00786	0.7
135.08043	0.9
136.05188	0.7
137.06013	1.1
143.04552	0.5
149.05971	4.5
150.06766	43.0
151.07152	1.5
153.01852	1.1
162.02277	1.3
162.06750	5.4
163.07552	19.9
164.08327	5.3
165.05394	0.7
166.02670	0.8
168.60754	0.6
175.02368	1.6
176.08304	2.2
177.09096	3.2
178.09888	3.3
179.10684	12.5
181.04930	1.0
193.08667	0.5
209.19089	0.5
211.16887	0.6
222.78867	0.5
281.24747	0.6
283.22726	0.6
285.20712	0.7
310.66287	0.5
311.22205	1.2
327.25394	2.2
329.23328	4.0
339.07059	0.8
350.32471	0.5
430.30954	1.2
445.33521	1.3
446.33710	1.3
448.31964	8.5
449.32181	1.2
450.44006	0.5
462.33398	6.7
463.34229	17.4
464.34402	1.9
489.32205	1.8
490.32977	10.2
491.33707	15.7
492.34222	2.0
507.33386	1.4
508.34012	7.8
509.34750	22.0
510.35193	3.3
653.39362	2.8
654.38684	0.6
671.40350	8.9
672.40546	1.9
833.45422	100.0
834.29712	1.2
834.45691	22.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	833.3517
Annotation	Unknow
Peak:m/z	Relative Intensity
64.38367	1.9
70.10748	9.7
72.00774	3.2
73.03934	2.5
74.02333	2.1
78.95770	11.2
79.16412	2.2
93.03321	4.6
96.96828	4.4
99.01872	12.5
107.04920	2.9
115.08706	2.3
116.04926	5.9
117.03356	2.4
119.04926	22.4
133.18843	2.2
134.06003	8.2
141.06578	16.7
141.44102	2.2
148.07556	4.4
151.04993	3.0
152.99478	2.9
155.08191	4.2
159.08061	2.7
162.05545	4.3
172.10768	5.2
180.06566	7.8
200.10614	3.3
202.12192	3.9
202.75867	2.2
217.59467	2.3
228.10321	3.1
239.08350	2.5
241.01108	5.2
245.12688	3.0
255.23251	7.4
279.23157	7.9
282.11313	4.9
289.12042	4.2
306.14392	3.5
401.18304	5.4
402.18436	2.8
416.28503	2.3
490.23438	3.5
534.22363	4.5
593.26160	2.7
646.28815	100.0
647.28949	25.1
794.50067	2.6
833.35040	22.2
833.51935	14.8
834.35468	6.6
834.51251	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	833.4553
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	12.4
60.01578	0.8
61.98671	0.6
66.19855	0.4
67.14739	0.4
71.01249	8.4
71.37679	0.8
72.93616	0.5
72.99149	0.7
73.02818	7.8
83.01240	2.6
85.02820	3.4
87.00744	1.8
89.02316	2.2
95.01289	0.5
99.04388	0.6
101.02316	7.2
101.40746	0.5
102.49470	0.5
113.02322	2.7
115.00197	0.6
119.03374	1.0
119.87664	0.5
121.02847	0.5
122.03709	0.5
127.11148	1.3
131.03421	0.5
135.08020	0.8
136.05188	1.0
137.05983	0.7
137.09596	1.0
148.05275	0.6
149.02356	1.2
149.04788	0.6
149.05971	4.8
150.03122	4.8
150.06764	45.6
151.03474	1.2
151.07330	1.7
155.10631	1.1
161.04478	1.0
161.09660	0.6
162.06741	4.9
163.07552	21.0
164.08331	7.1
165.05484	4.0
166.05849	1.9
171.10162	0.5
171.13834	0.4
175.02374	1.4
176.08305	2.8
177.09100	2.5
178.09860	3.2
179.10692	11.5
180.04169	0.5
193.08658	0.6
195.06520	2.4
196.06795	0.6
265.21591	0.9
281.24927	0.6
283.22699	0.9
285.20767	0.6
327.25290	2.6
329.23291	7.1
330.23618	0.7
334.21518	0.7
339.08786	1.0
340.09125	0.8
341.09601	0.5
369.13464	1.2
370.13742	1.5
370.41919	0.5
371.13971	1.3
430.30957	1.0
445.33176	0.6
447.34561	0.6
448.31888	8.8
449.32471	0.8
462.33530	9.0
463.34259	20.6
464.34711	2.5
489.32037	2.2
490.32846	5.6
491.33710	3.3
492.34268	0.7
493.34900	0.7
507.33264	1.8
508.34033	11.6
509.34772	30.7
510.35294	3.7
533.34949	0.5
653.38782	1.4
671.40222	13.0
672.40448	1.9
833.45386	100.0
834.45825	20.7
834.59137	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	832.5368
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01241	0.6
68.01276	0.5
70.57491	0.2
71.00909	0.2
71.01241	1.0
71.50973	0.2
78.95761	0.2
85.02821	0.2
102.88056	0.2
110.02355	0.4
113.02314	0.3
127.07578	0.2
135.04410	0.2
141.17976	0.1
147.04442	0.2
149.94005	0.2
161.04437	0.5
199.37282	0.2
233.22705	0.4
259.20648	0.4
277.21701	100.0
278.22034	9.1
387.86194	0.2
555.86072	0.2
610.70410	0.2
742.70276	0.2
803.12988	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	833.2879
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00465	0.4
59.01245	9.2
61.98703	0.3
67.01743	0.5
69.36740	0.3
70.98936	0.5
71.01252	16.0
72.99178	1.7
73.02805	1.3
75.00748	0.3
75.16598	0.3
76.48821	0.3
83.01248	0.9
85.02818	1.2
87.00748	35.8
88.01091	0.6
89.02328	0.4
96.32723	0.3
96.95885	0.4
99.00767	0.5
101.02329	0.8
111.00745	0.3
112.98748	0.6
113.02330	1.1
114.67175	0.3
115.00256	48.9
116.00596	1.1
127.00243	0.3
129.01845	0.5
138.28201	0.3
174.01634	0.9
175.02394	100.0
176.02756	3.0
183.13840	0.3
194.06706	0.3
209.11684	0.4
211.13222	0.3
227.12727	0.6
395.13205	0.3
535.99487	0.4
574.87524	0.4
815.35999	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	832.4349
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	99.6
60.01592	1.3
68.01287	17.1
70.98995	2.2
71.01249	16.3
73.02815	5.6
73.55199	0.8
78.95741	1.1
79.27728	1.0
81.03316	4.6
82.02859	2.3
83.01235	2.6
83.04901	10.3
85.02831	7.2
89.02319	0.9
91.09941	0.7
92.46273	0.8
95.01265	1.4
97.02834	1.4
99.00772	2.1
101.02308	6.5
110.02369	14.9
113.02324	7.0
116.04958	1.4
124.03882	1.5
125.02367	1.2
125.07142	1.4
131.03658	2.4
135.04454	4.7
143.03418	1.4
144.04422	1.4
145.04990	1.0
147.04416	17.8
158.06059	2.2
159.02872	1.2
161.04465	17.2
161.05815	0.9
170.04527	1.0
186.05577	1.9
188.05540	3.7
189.05505	2.1
203.03687	0.6
203.05525	15.5
207.14941	2.0
224.17647	2.1
225.16048	8.6
230.06644	68.3
231.06970	2.7
238.34451	0.7
259.35843	0.9
276.08762	17.6
277.08847	1.1
294.09821	1.9
320.61588	0.9
333.22653	1.7
336.10864	12.4
337.11313	1.7
351.24109	0.9
367.27179	1.4
433.32108	4.8
451.32867	100.0
452.33255	14.3
455.59476	0.9
466.73639	0.8
601.67535	1.0
857.78479	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	831.4383
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01256	4.1
61.98692	0.7
62.97417	0.5
69.32750	0.5
69.53563	4.3
71.01247	2.6
73.02808	1.2
83.01245	0.5
85.02814	2.5
87.00753	2.0
89.02300	0.9
96.95888	1.5
97.98282	0.5
99.04424	0.6
100.51364	0.6
101.02287	1.2
110.19852	0.6
111.08066	1.0
113.02307	1.3
115.00241	0.7
122.03729	0.6
125.02364	0.6
135.04358	0.6
135.08069	1.4
136.05182	0.7
137.05867	0.7
149.02271	0.5
149.05972	5.7
150.03110	2.1
150.06767	45.6
151.04042	0.6
151.07181	1.6
153.09143	1.2
157.08565	1.5
162.06752	5.9
163.07547	20.6
164.08307	6.6
165.05438	3.0
169.12308	1.1
171.10095	0.9
175.02484	0.6
176.08310	3.1
177.09100	2.4
178.06337	0.6
178.09915	3.1
179.10669	12.9
180.11160	0.6
195.06535	2.9
237.45853	0.5
263.20343	1.1
279.23288	1.6
281.21176	1.5
283.19180	1.0
325.23920	1.7
327.21811	6.3
328.22488	0.8
340.37088	0.6
387.14374	0.7
428.29376	1.2
443.31836	0.6
444.32553	1.1
445.33292	0.7
446.30289	8.7
447.30774	1.7
460.31924	9.2
461.32745	16.3
462.33087	2.5
487.30664	1.7
488.31384	3.9
489.31757	2.6
491.33588	0.7
499.74167	0.6
505.31430	1.9
506.32437	10.6
507.33197	25.3
508.33542	3.6
569.15485	0.6
651.37476	1.6
669.28046	1.2
669.38684	14.4
670.39026	1.5
671.83759	0.7
831.43805	100.0
832.44135	21.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	831.3084
Annotation	Unknow
Peak:m/z	Relative Intensity
57.94602	0.3
59.01250	1.8
61.97166	0.3
63.97368	0.3
67.13397	0.3
68.99708	0.4
69.31626	2.4
69.32039	0.5
69.39718	0.3
71.01255	1.3
73.02808	0.6
78.95782	0.3
84.02050	0.4
85.02815	0.9
85.28626	0.3
87.00749	0.4
93.03368	0.4
95.01247	0.4
96.95864	0.4
97.02843	0.4
101.02366	0.5
107.04923	0.4
108.02059	0.4
109.02841	2.5
111.00768	0.4
115.00240	0.7
121.02795	0.7
121.06527	0.4
121.07391	0.3
123.00767	2.5
123.04427	0.6
124.01601	1.8
125.02347	1.2
131.04947	0.4
133.02879	0.5
137.02344	11.1
138.03113	0.9
139.00264	1.0
139.03885	2.4
145.02814	0.4
146.03639	0.3
147.04388	0.6
149.02338	1.5
149.05995	0.4
150.03087	0.9
150.06680	0.5
151.00275	20.9
151.03889	2.3
152.01100	2.6
152.04677	2.2
153.01816	0.8
153.05396	0.5
154.02629	0.5
158.03592	0.5
158.34184	0.3
159.04402	0.8
160.05151	0.3
161.02423	0.8
162.03119	0.8
163.03923	1.1
163.07593	0.6
164.04671	0.9
165.01855	1.4
165.05412	0.5
166.02629	74.8
167.03227	5.4
173.02382	0.7
174.03107	0.3
175.02386	0.9
175.03918	2.7
175.07333	0.3
176.01082	0.6
176.04630	1.0
177.01851	3.5
177.05449	1.5
178.02658	0.7
179.03389	1.0
179.07104	0.9
180.04327	0.4
181.04987	95.2
182.05312	4.4
184.03725	1.1
187.03915	1.7
188.04669	0.5
189.05452	0.5
190.02615	0.9
190.06262	1.9
191.03435	2.9
191.06979	0.4
192.04184	1.6
193.05038	1.1
194.05722	0.4
195.02876	0.7
203.03514	0.7
205.04994	4.9
205.08617	1.4
206.05759	2.5
207.06541	1.4
209.04428	0.6
218.05806	0.5
219.06650	1.1
220.07312	3.0
221.04535	0.5
221.08139	4.8
233.08122	0.8
235.06128	0.4
235.09689	0.8
281.04440	0.5
301.07089	0.4
311.05484	0.4
312.06461	0.7
324.06445	0.6
326.08041	0.4
327.05203	0.4
327.08670	0.7
339.08664	1.6
341.10309	0.6
354.11130	1.2
357.09631	1.4
357.13629	0.4
359.11319	2.3
369.13446	0.6
371.15112	0.5
372.07739	0.5
372.12155	5.7
373.12518	0.8
387.10638	13.7
387.14517	24.4
388.10971	0.9
388.15277	3.0
399.14572	1.9
401.11456	0.4
401.16153	1.5
402.13150	12.3
403.13748	2.2
403.18393	0.4
417.15530	100.0
418.15854	11.6
431.16818	1.3
597.23383	10.4
598.23785	2.0
609.23474	2.2
627.24414	46.5
628.24689	9.2
831.42780	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	831.2712
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00462	1.3
59.01249	100.0
60.01573	1.8
61.99295	1.0
62.83041	0.8
68.19035	0.9
69.03310	2.0
71.01251	48.3
72.99158	2.1
73.02818	71.3
77.39906	0.9
83.01257	20.6
85.02831	4.7
87.00729	1.4
89.02316	10.8
93.03345	2.4
95.01271	1.2
97.02813	1.5
98.20626	1.6
101.02322	59.8
108.33307	1.0
113.02330	18.4
117.01804	1.0
119.03403	3.5
121.02834	2.4
122.03623	8.4
125.02367	1.6
131.03424	5.4
136.01569	1.2
137.03366	1.1
143.03381	3.5
149.02345	11.4
149.04439	5.9
150.03123	46.7
151.03511	1.4
155.03429	1.4
161.04468	12.9
162.04739	1.1
164.04707	1.3
165.05481	37.3
166.05814	1.9
180.04167	3.0
182.44516	1.1
195.06561	22.8
196.06805	1.4
203.05527	2.2
221.06494	1.3
243.06435	1.3
250.06290	1.1
268.07361	1.8
273.93259	1.0
280.07401	1.2
283.09769	1.9
296.06824	1.8
308.06924	2.2
309.07562	2.9
311.09256	3.3
320.02695	1.2
322.08557	1.2
323.09006	5.7
324.06232	1.7
324.09882	2.4
338.11591	2.2
339.08682	20.3
339.12634	1.4
340.08981	2.2
353.10199	1.3
354.11160	6.9
357.15817	1.1
369.13409	38.2
370.13742	5.8
485.27499	1.1
517.18390	1.8
554.37286	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	831.2714
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00470	1.4
59.01248	100.0
60.01587	0.9
61.34039	0.6
69.03330	2.5
71.01250	52.4
72.99190	2.6
73.02816	71.8
74.03159	0.8
74.03801	0.7
75.00743	1.8
83.01257	22.1
85.02824	6.2
87.00747	3.0
87.31096	0.7
89.02311	8.8
93.03376	1.7
95.01269	2.5
97.02839	1.4
99.00735	1.0
101.02319	59.5
101.21250	0.7
102.02644	1.0
104.21631	0.7
113.02322	19.8
114.02676	0.6
119.03394	5.8
121.02857	3.2
121.03629	0.8
122.03641	6.2
125.02348	2.5
131.03400	5.3
133.02884	1.0
136.01561	1.3
139.12756	0.7
143.03406	4.7
149.02345	14.0
149.04369	4.8
150.03128	38.4
150.06781	4.2
151.03607	1.3
155.03427	1.8
161.04453	12.8
163.07562	2.2
164.04724	2.5
165.05473	36.9
166.05826	1.4
177.05589	0.9
179.07100	1.0
179.10779	1.7
180.04250	2.5
195.06551	21.5
196.06909	1.0
203.05516	0.9
205.74745	0.7
221.06592	1.7
236.09592	0.7
268.07538	2.6
280.07324	0.9
283.09750	1.4
295.47305	0.7
296.06946	1.9
308.06976	2.9
309.07678	1.8
311.09460	2.6
323.09229	4.0
324.06366	1.9
324.10120	2.1
337.11002	1.0
338.11710	1.9
339.08688	17.2
339.12549	1.2
340.09406	2.6
354.11130	7.4
355.11865	1.1
369.13419	31.6
370.13824	3.0
396.17337	0.9
406.27264	0.8
421.29794	1.2
506.32452	1.9
507.33209	7.1
517.18506	10.7
518.19342	2.3
565.21246	0.9
669.38568	4.3
700.30115	0.8
787.28119	2.2
831.44128	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	827.5159
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00466	0.7
59.01250	7.5
62.75818	0.4
70.82590	0.7
70.82928	0.9
71.01254	7.2
72.99176	0.6
73.02811	2.1
80.30550	0.5
83.01251	0.6
83.04922	0.6
85.02814	1.7
89.02316	2.3
101.02315	4.7
113.02335	5.5
113.05973	0.7
119.03355	1.7
143.03416	0.8
161.04425	2.6
214.03874	0.5
227.74391	0.5
231.17422	1.1
237.22227	0.6
239.23744	2.0
251.23738	0.7
255.23262	57.9
256.23621	5.7
257.19040	0.9
267.23355	2.3
269.24835	60.1
270.25214	5.3
271.17215	0.7
273.18707	1.0
279.23288	4.8
280.23676	0.8
285.18594	2.7
287.20093	0.8
297.21054	1.1
297.24319	20.7
298.24646	2.2
303.19742	1.2
305.21341	1.0
309.24258	1.9
313.23865	3.8
314.24243	0.9
327.25330	3.8
331.19080	3.7
349.20169	6.3
350.20578	1.0
351.25378	1.0
353.07788	0.5
357.26413	1.4
365.19608	2.0
367.21216	100.0
368.21524	11.2
393.19244	0.9
399.27695	0.9
783.11505	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	831.1948
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02850	2.4
59.01254	4.1
61.72305	1.8
63.32433	2.2
64.95109	16.1
68.58134	2.1
70.32706	6.1
71.01257	4.0
74.00555	2.5
80.27231	2.4
86.02351	9.7
89.02325	1.9
93.07098	1.7
147.04411	2.8
151.03932	3.5
164.07060	9.4
176.07085	100.0
177.07439	5.7
202.66333	2.7
206.08150	12.9
338.12469	13.5
370.09622	6.5
382.11420	55.9
383.11737	2.7
416.10141	20.9
448.07364	9.0
537.46857	2.8
580.13690	2.4
698.13831	2.0
831.19836	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	825.297
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98693	24.6
85.62215	2.3
88.98678	4.1
91.39005	2.7
93.03326	5.4
121.02844	8.7
122.03642	16.0
133.02852	3.5
134.03616	5.7
134.51222	2.6
136.01517	3.7
139.03862	3.7
149.02341	27.8
149.05911	3.8
150.03119	100.0
151.00323	2.8
151.03857	8.5
153.05486	2.7
161.02240	6.1
162.03041	3.6
164.04594	3.3
165.01759	7.5
165.05475	88.4
166.02652	12.0
166.05782	3.9
178.02664	7.6
179.03441	12.5
180.04185	8.2
181.04944	22.2
193.04991	20.8
194.05783	8.2
195.02927	2.5
195.06557	47.8
208.03595	3.2
209.08142	16.8
211.06030	9.3
222.05263	2.6
223.06055	8.6
237.97476	2.7
241.07155	5.0
249.07597	4.8
251.08835	2.9
375.69583	2.7
403.13843	7.2
581.20154	9.7
629.21814	15.0
630.21942	3.4
678.54340	3.4
825.29510	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	825.3526
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00473	2.9
59.01255	10.4
61.64743	1.2
61.98699	15.2
64.72556	1.1
68.41788	1.0
69.03318	2.1
71.01254	33.7
71.51382	1.7
71.51785	1.7
72.20244	1.0
72.99176	2.3
73.02838	7.3
75.00749	2.8
83.01274	18.2
84.02038	2.8
85.02831	4.1
87.00760	5.7
97.02601	1.8
99.00743	14.4
101.02326	18.9
105.88295	1.3
111.00554	2.5
112.01537	17.2
112.98448	1.7
113.02353	7.9
123.00520	5.1
125.02135	3.5
127.00240	2.8
138.99985	1.1
140.00821	2.9
141.01588	13.4
141.98691	3.0
142.99519	2.1
151.00021	15.2
153.01604	4.6
153.12743	1.4
166.99547	15.8
183.02660	56.9
193.12010	15.4
195.13800	4.6
201.03658	3.4
205.33952	1.4
207.09937	2.9
225.03676	1.6
227.01622	15.1
235.13135	6.3
237.11017	14.6
237.15907	1.6
245.02708	1.9
259.13196	2.3
277.14166	14.0
297.17014	4.2
337.16257	22.4
338.16428	2.0
355.17392	17.1
356.17773	2.1
379.17377	24.4
380.17560	1.6
381.15268	47.9
382.15677	2.9
397.18396	100.0
398.18802	10.6
399.11029	2.4
399.16315	47.8
400.16669	5.4
423.16302	7.4
441.17368	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	823.5209
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	3.6
61.98692	2.4
69.03337	1.6
71.01259	6.5
71.51183	0.7
80.02543	1.2
81.03337	1.2
83.04883	3.0
95.04908	1.9
97.06471	3.6
97.48370	0.7
107.04930	0.8
107.19650	0.8
109.06486	0.8
111.08033	3.7
113.09615	4.7
114.05470	2.2
123.08091	0.8
125.02268	0.8
125.09622	1.9
137.09624	0.7
139.11174	1.4
147.11710	1.0
149.09613	2.3
151.07587	1.2
151.11195	22.8
152.11530	0.8
153.09099	0.7
153.12712	1.5
163.11174	3.1
165.12761	23.5
167.10692	1.2
173.09590	1.1
177.09119	0.9
179.10684	7.1
179.14362	1.0
180.30206	0.8
181.12257	26.1
182.12573	1.2
191.10698	13.7
192.11046	0.9
194.41168	0.8
195.10104	1.1
197.11858	1.2
207.13884	0.7
207.94060	0.8
209.11769	100.0
210.12128	5.3
211.13330	5.3
227.12816	4.8
247.20627	4.3
253.09288	1.8
263.20267	2.1
265.21634	3.9
273.18393	0.9
277.21683	9.8
278.22003	1.3
281.21255	3.6
291.19644	10.7
309.17322	1.6
309.20676	45.3
310.21045	4.0
323.40988	0.7
545.94196	0.7
648.39685	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	823.555
Annotation	Unknow
Peak:m/z	Relative Intensity
61.53239	1.6
61.98695	1.7
68.06631	1.4
71.51898	1.3
75.85451	1.2
81.03329	15.1
83.04897	41.3
83.39600	1.2
86.18012	1.4
100.07536	6.0
110.23067	1.4
179.69730	1.4
199.18068	8.0
224.17509	1.4
225.16061	6.2
243.17126	20.7
252.72244	1.4
252.79172	1.3
269.15042	2.1
353.20825	5.7
368.75568	1.4
451.32779	3.2
469.33911	14.7
470.34186	3.1
500.03937	1.4
579.37494	4.2
607.67975	1.4
695.50574	4.1
823.55450	100.0
824.55835	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	824.5079
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01243	5.9
61.98691	4.7
67.01775	2.3
69.03318	1.7
71.01247	1.5
78.95786	7.9
81.03326	5.4
83.01250	7.8
83.04890	3.1
88.23786	1.6
92.29556	1.9
95.04913	2.1
96.95869	1.9
97.02841	3.1
97.06459	6.3
98.20596	3.5
109.06479	2.3
110.47748	1.7
123.04400	6.3
123.08004	2.6
125.09613	13.7
135.08043	2.9
136.05214	2.2
137.09634	8.8
141.12706	2.5
147.07999	1.7
149.05835	2.1
152.99399	1.5
161.09615	1.8
163.11215	10.9
163.55763	1.7
165.09091	1.9
165.12750	2.5
167.10625	2.6
171.10152	3.8
185.11726	9.5
191.10660	4.6
191.14348	12.2
203.49127	1.5
204.07362	1.8
207.10188	9.4
209.11768	76.8
210.12088	3.0
225.11224	7.2
242.07979	3.1
245.19057	27.2
246.19427	2.8
255.10168	1.7
263.20181	2.0
271.17010	3.8
277.21704	87.6
278.21957	7.8
289.18088	100.0
290.18411	7.4
290.59689	1.8
307.19125	84.4
308.19611	9.0
308.22458	1.5
502.29401	41.5
503.29672	6.4
602.97253	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	819.53
Annotation	Unknow
Peak:m/z	Relative Intensity
60.73457	14.2
69.91482	82.1
71.44626	15.0
75.62911	15.7
75.94851	15.5
80.96387	55.2
90.13909	14.5
94.97960	24.0
105.52934	15.9
144.23680	15.7
164.98581	21.3
225.00652	15.1
265.19635	17.5
819.53253	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	820.5709
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98702	3.2
62.29589	0.3
65.77551	0.3
71.50246	0.6
78.95776	8.4
80.96387	0.4
96.96803	0.3
97.41954	0.4
99.08090	0.3
100.51582	0.3
111.28636	0.3
116.71651	0.3
118.14909	0.3
120.53118	0.3
121.99766	0.3
125.09644	0.5
127.11161	0.9
152.99469	1.5
156.06055	0.6
163.11081	0.3
165.12724	0.7
167.14328	0.5
168.04231	1.1
182.07594	0.4
183.13814	0.6
195.13846	0.6
215.10941	0.9
224.06879	2.9
240.39990	0.4
242.07936	0.7
244.11383	0.3
247.20570	0.4
249.22238	1.7
255.23254	42.0
256.23608	3.1
265.21710	0.7
291.19641	4.1
292.20120	0.7
293.21173	6.9
294.21579	0.8
307.22745	0.4
309.20758	1.0
310.21436	2.3
325.18445	9.2
325.23807	100.0
326.18640	1.0
326.24167	9.8
338.90997	0.4
375.39059	0.3
480.30920	36.3
481.31287	3.7
487.25446	0.4
748.55994	0.3
812.24957	0.4
821.43695	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	819.4793
Annotation	Unknow
Peak:m/z	Relative Intensity
66.93702	0.2
70.79713	0.3
70.80029	0.5
75.92808	0.2
78.95772	73.8
96.96835	5.7
133.03610	0.3
136.91966	0.2
150.97887	1.7
152.99484	100.0
153.99826	1.4
159.75443	0.3
168.43745	0.3
171.00533	2.5
227.17859	0.2
228.50587	0.2
255.23245	2.4
275.01334	0.3
409.23581	63.9
410.23901	5.9
489.20389	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	819.4751
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03317	1.2
59.01261	1.8
61.98700	0.6
68.41273	0.3
69.03348	0.3
70.36936	0.6
70.37328	0.6
71.01254	1.7
72.99158	0.3
73.02818	0.7
85.02814	0.8
87.00746	0.4
87.04412	1.9
89.02309	0.9
96.95901	0.9
99.04378	0.4
101.02325	0.8
101.05978	0.7
113.02330	0.8
115.00236	0.6
116.92747	0.6
125.02384	0.4
135.08044	1.4
136.05223	0.7
137.05963	0.5
149.05992	4.2
150.06772	57.9
151.07082	2.4
161.09619	0.5
162.06798	0.3
163.07558	20.6
164.08348	7.4
165.09094	0.6
175.02382	0.9
176.08310	1.0
177.09105	1.1
178.09853	1.5
179.10699	43.8
180.11035	2.2
181.05000	0.4
193.08557	0.4
209.11786	1.0
211.13330	0.4
227.13010	0.4
283.10928	0.6
284.11600	0.3
376.26358	0.7
391.28613	1.9
392.29681	0.5
397.13754	0.3
405.30225	0.5
407.31726	0.5
418.15872	0.4
462.33768	0.8
477.36014	1.8
480.27731	0.5
480.34610	9.4
481.35007	1.5
494.36142	25.6
495.36902	100.0
496.37250	13.4
535.31238	0.4
615.23444	0.4
657.42200	62.2
658.42505	11.6
819.44403	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	819.402
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	3.4
58.00455	3.6
59.00959	4.1
59.01245	65.7
61.98699	26.8
67.38646	2.2
69.03323	6.0
69.75578	8.9
70.12698	2.0
71.01248	60.1
72.99176	6.5
73.02798	10.8
78.95821	2.9
81.03313	5.0
83.01242	6.7
83.04890	4.4
85.02812	16.5
87.00744	22.0
89.02309	38.5
95.01260	5.3
95.04882	7.1
96.95873	7.9
97.02808	9.6
97.06463	6.4
99.00765	4.2
101.02321	31.7
109.02834	3.0
109.06483	7.1
111.00841	2.7
113.02319	24.4
115.00235	8.8
116.92715	4.1
117.01867	2.7
119.03352	5.2
121.02837	2.2
121.06466	2.8
122.06029	3.3
123.08015	2.8
125.02317	13.6
125.09591	9.4
135.04428	4.0
143.03377	3.0
149.02303	4.6
150.06714	3.4
151.00252	4.0
161.04451	4.8
161.09639	2.8
163.07451	2.5
163.11198	9.0
165.12695	4.9
166.02612	3.5
171.10098	3.6
175.02400	16.9
179.05551	13.5
179.10655	4.3
181.05023	4.7
183.13805	14.1
185.11702	2.7
195.13754	2.9
203.03439	6.8
207.10202	5.7
209.11736	21.5
211.13306	10.5
218.05765	3.9
221.06581	7.0
221.15437	4.6
225.11203	4.3
226.11951	2.3
227.12823	3.6
233.08099	9.8
233.15269	3.8
233.19119	2.6
235.08070	3.8
247.13565	2.7
249.14902	3.3
263.07608	2.6
263.16467	5.4
277.18005	4.5
283.00766	2.4
285.04037	11.5
301.16571	6.2
327.23074	2.7
329.24756	17.5
337.21503	3.7
341.24997	4.3
347.25909	8.0
353.68484	2.8
355.22748	9.4
359.26141	5.0
367.23022	4.1
373.23785	33.5
374.24008	3.3
385.23737	12.1
391.24826	50.6
392.25143	7.3
397.13477	21.4
399.36157	2.6
403.24838	35.5
404.25317	4.4
405.25607	3.0
406.18152	2.5
409.25790	16.5
415.14383	6.0
421.25919	26.6
422.25980	3.1
447.09241	3.3
495.36050	2.7
525.86438	2.4
548.54095	2.5
657.22144	3.9
657.41803	5.6
715.78192	2.5
737.16888	2.6
748.58557	2.8
771.37933	100.0
772.38348	17.3
783.37958	9.2
789.39038	46.7
790.39288	13.0
801.39142	64.2
802.39337	16.1
819.41876	13.3
820.32306	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	819.402
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03337	3.1
59.01247	54.6
61.98696	11.4
69.03324	4.6
71.01252	53.2
71.50042	3.2
72.99171	4.7
73.02818	9.8
75.00756	5.8
81.03349	3.4
81.86752	2.2
83.01257	4.6
83.04899	4.5
85.02827	13.2
87.00754	15.6
89.02319	32.3
93.03348	2.7
95.01316	2.5
95.04925	6.2
96.95895	7.1
97.02820	7.9
97.06471	2.5
99.00768	3.8
99.25361	2.1
101.02328	27.7
109.02870	3.2
109.06472	4.5
113.02331	22.1
115.00257	7.9
116.92765	2.9
119.03422	5.4
123.00819	2.2
123.04485	3.2
123.08023	2.8
125.02318	9.4
125.09624	9.7
129.29779	2.1
131.03406	2.4
135.04398	4.2
135.08073	2.5
137.05934	2.2
143.03387	4.0
145.04941	2.8
146.22636	2.3
149.02303	4.0
151.00273	7.6
161.04437	6.3
163.11180	6.5
165.05504	3.9
165.12750	4.2
171.10179	2.8
175.02423	13.1
179.05568	11.4
179.10693	2.2
195.06519	3.0
207.10158	5.4
209.11757	15.5
211.13350	17.3
221.06737	4.2
221.15533	5.9
225.11308	3.7
226.12027	2.6
227.12630	3.3
227.24294	2.3
233.15395	2.7
235.08234	5.5
263.07697	3.1
263.16525	4.4
265.18188	4.2
275.20453	2.1
280.51324	2.1
284.03564	2.2
285.03937	11.4
287.05600	4.7
306.07623	3.8
329.24817	18.0
330.25073	3.6
341.24722	3.0
347.26056	5.6
349.49249	2.2
355.22748	6.6
373.23782	37.0
374.24039	6.3
385.23895	5.0
391.24881	52.6
392.25360	7.1
393.31274	2.6
397.13455	21.3
403.24689	14.3
409.25955	21.9
415.14771	2.6
421.26096	14.0
447.09772	3.2
507.19815	2.6
575.38519	2.1
657.42157	5.6
771.38037	100.0
772.38202	25.4
783.38013	4.6
787.29358	2.9
789.39270	56.1
790.39490	14.2
801.39313	32.0
802.39203	6.2
819.40802	13.1
820.40668	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	819.3997
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	100.0
60.01575	1.3
61.98695	3.0
64.59778	0.8
69.32749	0.7
71.01255	2.8
75.29899	0.7
78.95821	0.7
79.49136	0.7
80.96399	1.3
86.18684	0.7
89.02316	1.7
101.02345	1.4
113.02347	1.7
115.83912	0.7
119.03398	1.0
125.02339	1.6
136.36214	0.7
141.01595	59.4
142.01956	1.1
152.65784	0.9
235.08110	1.3
279.23288	7.4
279.76730	1.0
361.23596	4.4
397.13483	10.5
398.13483	1.0
415.14804	2.0
419.11877	2.6
437.12885	4.5
677.37244	1.3
699.35669	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	819.2714
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	100.0
60.66129	2.9
69.57372	19.6
71.01250	49.7
72.99158	3.8
73.02816	54.7
75.10797	3.6
83.01243	15.4
85.02812	5.2
89.02319	8.1
98.19780	3.4
101.02320	51.9
101.02938	4.9
104.69394	2.8
113.02314	25.7
119.03388	9.8
121.02834	9.0
122.03615	11.1
131.03419	4.6
134.71216	3.6
136.01512	4.1
143.03377	7.1
146.03648	10.3
149.02351	39.4
149.04456	10.9
150.03127	78.2
151.03780	4.7
161.04440	26.3
162.03149	4.6
164.04662	18.5
165.05467	78.1
166.05801	5.0
175.03786	3.7
177.05389	3.6
179.05595	6.1
179.06984	17.4
180.04137	3.8
195.06549	33.4
203.05510	6.7
221.06506	14.7
298.92825	3.0
312.09805	5.6
313.10620	8.9
327.12393	31.8
336.82922	2.8
343.11856	25.9
344.12222	3.0
391.14142	3.0
471.16406	4.8
523.19824	9.5
531.18500	5.3
537.19653	3.6
579.20685	19.9
727.26312	23.2
728.26855	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	818.226
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	63.5
65.80346	1.6
71.01254	26.1
73.02817	29.4
78.71806	1.9
83.01252	7.2
84.60871	1.6
85.02817	5.0
87.00746	22.0
89.02305	3.5
98.19768	3.8
101.02303	19.0
110.02409	2.3
113.02309	9.0
115.22267	1.7
116.04930	7.5
121.02853	7.7
121.98297	1.9
131.03627	6.8
132.04433	10.1
135.00114	1.8
135.04324	3.9
142.02876	4.0
143.03392	2.4
144.04453	43.5
145.04756	2.6
146.02370	1.7
148.03958	3.2
149.04416	2.4
150.03139	1.8
155.03526	3.2
155.06029	7.9
161.04498	5.4
162.05501	7.2
168.04466	12.3
169.03922	10.0
170.04716	2.0
171.05545	50.7
172.05873	2.3
174.05635	1.8
177.94345	1.9
189.06616	100.0
190.06921	4.6
195.05627	3.1
203.05539	3.5
229.21085	2.3
230.06598	5.7
531.23547	1.9
597.84570	2.0
622.37000	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	815.4991
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01261	1.4
78.98492	1.5
79.95605	2.0
80.95919	1.1
80.96388	16.1
85.02792	0.7
93.80413	0.7
94.97976	4.1
100.65868	0.7
106.97964	0.7
112.51775	0.6
115.42377	0.6
122.97466	0.7
123.82130	0.7
125.02366	0.5
126.98591	0.6
134.97418	1.7
135.34880	0.6
136.98985	0.7
148.99046	1.1
152.98566	1.5
161.80981	0.5
164.98499	2.4
206.99557	0.9
225.00717	3.6
415.56796	0.8
815.49854	100.0
816.50220	30.2
816.63336	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	817.3836
Annotation	Unknow
Peak:m/z	Relative Intensity
58.07222	0.8
59.01249	100.0
60.01585	0.9
61.98700	26.2
64.60233	0.7
67.95009	0.8
69.45708	4.7
69.46117	1.5
71.01257	2.6
72.74883	0.7
80.96381	5.5
89.02321	2.1
89.27287	0.9
96.95827	0.8
97.02839	1.8
101.02311	3.0
113.02374	1.3
114.19453	0.7
116.92776	1.5
121.85857	0.8
125.02375	0.8
136.79373	0.9
137.41022	0.8
141.01601	55.0
142.01944	0.8
156.51358	0.7
179.05460	0.8
187.26303	0.8
211.13434	0.7
225.00726	1.3
235.08058	0.8
243.04866	0.8
255.93753	0.8
277.21704	5.8
359.22034	3.8
397.13461	11.1
398.13519	0.8
415.14685	1.3
419.11691	2.3
437.13016	3.7
697.33850	1.8
817.37750	1.3
817.51190	3.2
818.50543	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	811.2048
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	37.3
65.03839	2.3
68.01280	2.1
69.03322	1.7
69.70993	2.1
69.71397	5.4
71.01252	15.7
72.00129	0.9
72.95571	0.8
72.99191	1.2
73.02822	10.0
81.03362	2.6
83.01279	3.8
85.02827	2.3
87.00750	2.6
89.02305	1.5
89.10213	1.0
90.03355	5.9
93.03336	28.3
95.01278	1.9
95.59880	1.0
99.00775	1.8
101.02327	7.2
102.02784	0.8
102.03348	5.6
108.02066	6.1
109.02830	13.1
111.04408	2.4
113.02322	2.9
117.03364	1.8
118.02876	42.2
119.03236	1.5
120.04464	1.7
121.02841	18.4
124.70738	0.9
132.04367	1.6
135.04419	1.1
137.02335	19.2
146.02377	100.0
147.02679	4.5
148.03931	3.6
150.95259	0.9
155.03409	3.8
161.02347	2.0
161.04466	3.6
162.01785	1.2
163.02670	2.1
164.03441	10.1
203.05586	2.9
221.51392	0.9
230.06676	2.2
269.67233	1.0
283.06030	3.4
311.05542	7.9
341.06635	1.2
431.09830	10.2
503.75153	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	811.2047
Annotation	Unknow
Peak:m/z	Relative Intensity
58.28626	1.5
58.86097	1.6
59.01247	29.9
65.03827	1.5
65.83759	1.8
69.69530	6.7
69.69959	5.6
71.01257	9.4
73.02813	7.5
75.51240	1.6
83.01231	3.7
87.00713	2.0
90.03341	2.7
93.03336	28.0
101.02327	6.3
102.03332	3.0
108.02032	4.7
109.02867	9.3
109.06415	1.9
111.04353	2.8
113.02310	2.5
118.02870	31.7
119.03196	1.8
120.04531	1.6
121.02847	19.4
125.02297	1.9
137.02336	17.4
146.02377	100.0
147.02754	5.1
148.03955	3.4
155.03409	3.4
155.84863	1.6
161.04405	2.0
163.02705	2.6
164.03452	11.2
167.48299	1.5
187.31949	1.9
203.05501	2.5
580.20862	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	809.5423
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	0.6
64.43061	0.3
71.52499	0.5
78.95795	0.5
97.06476	0.6
123.08018	0.4
125.09618	2.2
141.12727	0.6
149.09615	1.4
185.11752	7.5
197.11757	2.1
202.76347	0.4
202.94112	0.3
224.57095	0.4
249.22217	0.8
253.09244	0.6
279.23322	4.6
293.21222	100.0
294.21545	8.9
375.06094	0.4
540.11987	0.4
642.90875	0.4
784.30298	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	810.5286
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03322	1.1
57.64978	0.5
59.01257	1.4
61.98691	0.7
71.04887	1.2
71.50742	0.9
78.95781	2.7
90.87968	0.5
109.06440	0.5
111.08043	1.4
114.05489	0.7
120.62768	0.5
123.46469	0.5
125.09580	1.7
152.99504	0.7
163.11082	0.7
165.12807	3.4
178.82312	0.5
181.12209	0.9
181.79158	0.5
191.14445	1.2
209.11742	0.7
211.13397	0.6
217.15900	0.9
242.07915	1.2
247.20651	1.6
273.18628	2.4
279.23288	37.6
280.23624	3.4
291.19656	100.0
292.20004	8.9
297.15338	0.9
319.09180	0.6
358.89746	0.5
359.32535	0.6
502.56256	0.5
504.30984	16.9
505.31152	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	809.3031
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98694	15.0
71.49408	2.1
74.62626	2.0
75.00752	2.6
86.33418	2.3
120.70052	1.9
121.02850	4.2
122.03617	8.2
136.33492	1.8
137.02361	6.3
142.16226	2.0
149.02347	14.1
150.03122	61.1
151.03600	3.6
160.01585	2.3
165.01857	32.5
165.05472	59.7
166.05803	3.3
175.03896	4.0
179.03421	9.7
180.04198	25.3
190.06247	2.9
195.06552	72.3
195.08328	4.0
196.06886	2.0
209.08073	4.1
210.05205	4.4
212.84444	2.1
222.05148	3.1
225.07637	24.7
240.07761	2.4
253.05096	2.3
255.10361	2.5
267.06671	3.6
268.07401	14.1
277.05045	2.4
279.06601	2.7
280.07498	3.3
281.08185	2.2
283.06799	2.1
283.09637	12.2
284.06927	4.0
295.06168	2.5
296.06818	6.0
297.07455	3.3
298.08444	2.3
299.09198	5.4
308.06833	7.2
309.07550	9.3
311.09274	5.7
312.06412	11.0
312.09589	2.0
322.08344	4.6
323.09192	21.8
324.06357	7.4
324.10040	8.4
326.08112	3.1
326.11707	3.1
327.08685	32.8
327.12265	2.3
328.09100	4.6
337.10434	3.5
338.11618	6.1
339.08670	49.5
339.12393	9.2
340.09067	6.1
342.11047	32.3
342.15036	3.6
343.11725	6.7
354.10989	15.3
357.13416	84.0
358.13733	7.1
369.13382	100.0
370.13644	7.0
373.12979	3.4
421.15076	3.3
565.20624	15.2
566.21252	3.0
600.66388	2.4
613.22620	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	809.542
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03314	0.4
57.52534	0.1
59.01253	1.3
61.98708	0.3
63.56603	0.1
67.06171	0.2
70.10614	0.3
70.10978	0.3
71.01244	0.3
73.64251	0.1
90.01894	0.1
93.14271	0.1
97.06455	0.2
113.09623	1.1
145.25183	0.1
177.12769	0.3
179.14287	0.8
181.12263	0.4
195.13832	13.4
196.14124	1.0
209.99072	0.1
251.23746	0.2
253.09241	0.3
259.20609	0.2
263.05869	0.2
277.21707	13.6
278.22061	1.7
295.22760	100.0
296.23129	9.6
296.25769	0.2
327.56943	0.1
484.84271	0.2
666.78918	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.3024
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98714	2.1
69.52608	4.5
71.01238	0.6
75.00774	0.7
77.03811	0.7
77.19841	0.6
84.25767	0.6
93.03333	4.2
97.18690	0.6
102.26998	0.6
107.94550	0.5
108.02092	1.0
109.02850	2.0
111.37421	0.5
121.02840	7.8
122.03629	15.2
123.00786	0.7
123.04426	1.3
124.01564	0.9
132.02036	0.8
133.02887	1.9
134.03645	2.3
135.04413	0.6
136.01567	6.8
137.02365	5.2
146.03670	2.4
147.04329	0.8
148.01405	0.7
149.02341	34.1
149.05949	3.0
150.03125	100.0
151.00232	1.9
151.03922	18.8
152.04633	1.1
161.02353	1.1
161.05939	0.6
162.03081	1.2
164.04683	6.8
165.05475	90.9
166.02632	6.8
166.05801	3.9
167.03380	1.3
175.03862	1.0
177.05507	2.1
179.03418	1.3
179.07068	8.0
180.04199	6.5
181.04968	8.0
186.81854	0.6
187.03915	1.9
191.03403	0.7
192.04184	0.7
195.06552	47.3
196.06873	2.7
205.04955	2.1
207.06523	1.0
215.51530	0.7
219.06554	1.6
220.07370	1.4
243.00072	0.5
246.55545	0.6
322.25455	0.6
325.06982	0.7
329.10229	1.1
387.14352	2.1
402.13312	0.7
403.13882	0.9
416.14557	1.3
417.15518	8.5
453.62827	0.6
471.16248	0.9
535.15149	1.0
551.18420	0.7
564.19659	1.6
565.20728	18.7
566.20734	1.9
595.21332	2.5
613.22845	4.0
614.22406	0.7
619.22095	1.6
678.65179	0.7
713.26001	9.3
714.26013	1.4
725.25098	0.7
743.27002	3.8
761.27448	2.0
809.29492	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.3022
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98706	1.4
63.61950	0.6
66.87111	0.6
70.68608	0.6
71.51109	0.7
72.62376	0.5
93.03323	4.7
95.87856	0.6
109.02818	0.9
110.61911	0.8
117.78591	0.6
121.02838	4.7
122.03625	15.1
133.02852	2.1
134.03635	1.5
136.01561	3.4
137.02350	2.8
149.02342	21.5
149.05956	1.2
150.03125	95.5
151.00314	1.0
151.03859	6.7
164.04741	4.6
165.05476	100.0
166.02628	5.8
166.05826	4.2
177.01733	1.1
177.05453	0.9
179.07019	4.4
180.04170	5.9
181.04994	5.4
184.03731	0.9
193.04887	0.8
194.94759	0.5
195.06552	67.8
196.06923	2.6
205.04927	1.2
208.30029	0.6
215.11882	0.7
220.07277	0.6
243.35544	0.7
252.06140	0.7
321.99768	0.6
387.14362	2.5
388.15036	0.7
417.15448	8.9
565.20807	11.5
566.21039	1.7
595.21228	1.2
613.23517	3.0
713.25879	1.7
743.26685	0.9
761.28040	1.1
791.28961	0.9
801.26105	0.8
809.29327	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	808.267
Annotation	Unknow
Peak:m/z	Relative Intensity
58.38118	0.1
59.01246	0.3
61.98700	100.0
62.98405	0.1
71.01283	0.2
71.52604	0.1
73.79183	0.1
89.02276	0.4
101.02311	0.1
113.02345	0.1
119.03377	0.2
130.58002	0.1
145.66467	0.1
165.05455	0.2
179.05527	0.2
195.06520	0.1
210.21820	0.1
270.05334	0.2
285.07712	0.4
300.10086	0.2
301.10846	0.2
331.11896	0.2
369.13376	0.2
506.68750	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	809.3025
Annotation	Unknow
Peak:m/z	Relative Intensity
56.35995	1.1
61.98699	7.8
70.64220	1.2
70.64568	2.7
75.00709	1.2
92.85065	1.1
93.03300	2.2
121.02820	2.7
122.03647	6.9
132.02031	1.5
133.02809	1.6
136.01579	2.3
137.02316	3.2
146.03630	1.4
149.02321	12.1
150.03134	43.6
151.03758	2.4
152.74617	1.1
160.01695	2.3
161.02287	2.1
164.04680	5.9
165.01846	21.5
165.03259	1.8
165.05481	44.6
165.06882	2.4
166.05798	1.9
175.03882	3.6
177.05449	2.0
179.03418	7.8
179.07042	3.6
180.04205	14.9
181.04866	1.4
188.04713	1.0
190.06299	2.7
194.05768	3.2
195.06561	62.5
196.06841	2.5
203.07091	1.5
209.08023	1.2
210.05186	2.6
222.05231	3.2
222.07050	1.2
225.07623	12.8
227.07185	1.2
237.05544	1.8
238.06358	2.6
239.07249	1.5
240.07872	3.5
243.06689	2.0
244.07353	1.3
250.06250	1.1
251.07057	2.2
252.07854	1.4
253.05180	1.3
253.08588	1.5
254.05914	1.3
255.10239	1.7
256.07373	1.5
262.06934	1.2
267.06531	3.7
268.07376	11.3
278.05701	1.7
279.06491	2.4
280.07385	5.4
281.08145	1.6
283.06451	1.7
283.09705	9.5
284.06848	4.2
291.06619	1.5
293.08252	1.7
294.05243	1.6
295.05994	4.4
296.06888	6.0
297.07648	4.8
299.09161	4.3
306.05515	1.4
307.05960	2.7
308.06946	8.7
309.07693	8.2
310.08475	1.6
311.05838	1.8
311.09235	5.0
312.06317	11.2
312.09656	1.8
313.10864	2.5
321.07468	2.3
322.08429	5.2
323.09241	15.7
324.06268	7.3
324.09982	10.3
325.06805	1.5
325.10611	2.1
326.07892	4.4
326.11514	1.3
327.08752	27.8
327.12244	1.8
328.09155	5.0
337.10843	2.4
338.11429	6.5
339.08698	51.0
339.12332	6.1
340.09195	5.8
340.12503	1.3
341.10193	4.4
342.11020	37.7
343.11691	7.9
353.10080	3.3
354.11050	15.4
355.11707	4.0
356.12473	1.2
357.13422	96.8
358.13843	7.4
369.13406	100.0
370.13766	10.5
373.12817	24.2
374.12903	2.7
418.23288	1.2
421.15063	11.6
422.15466	1.6
565.20685	9.9
613.22607	4.2
661.01080	1.2
713.26282	1.8
761.29010	1.9
805.02588	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	807.3655
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03304	0.3
58.00476	0.3
59.01251	100.0
60.01574	0.9
69.03333	0.5
71.01254	11.7
72.99174	0.5
73.02816	8.5
75.46720	0.2
83.01253	3.0
83.96572	0.2
85.02816	3.2
87.00777	0.5
89.02311	3.6
95.01266	0.7
96.96016	0.2
97.02844	0.3
97.07694	0.2
97.50269	0.2
98.19768	0.5
99.00779	1.0
101.02326	11.1
102.02656	0.2
103.01534	0.2
112.71623	0.2
113.02335	4.8
119.03413	1.1
125.02381	0.4
131.03406	1.0
143.03436	0.9
149.04448	1.9
155.03474	0.3
159.02921	0.4
161.04459	4.1
179.05620	0.2
181.41431	0.3
203.05597	0.7
211.17065	0.5
221.06712	1.0
303.14532	0.3
355.21378	0.3
373.22321	4.0
374.23178	0.4
415.23370	3.1
416.24014	0.5
489.97513	0.3
724.43646	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.5101
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03291	0.4
59.01242	2.5
61.98693	1.8
63.40199	0.3
71.01254	2.4
71.50198	0.4
71.50706	0.3
78.95781	0.3
80.96407	0.5
81.85972	0.3
85.02814	0.5
87.00749	0.5
87.37828	0.3
89.02327	1.7
89.02770	0.3
98.89500	0.3
100.37683	0.3
101.02314	2.6
110.16267	0.3
113.02318	1.2
113.09563	0.4
119.03350	0.5
161.04370	1.4
179.05609	0.6
179.14281	0.7
181.12276	0.4
195.13812	8.2
196.14297	0.5
205.12236	0.7
205.15814	0.3
211.13409	0.6
223.13321	6.8
224.13640	0.4
228.13582	0.8
231.21135	0.4
235.08160	1.1
235.23900	0.3
243.65953	0.3
249.11041	1.0
253.09239	17.3
254.09552	0.7
256.13135	1.3
265.21863	0.4
275.20129	5.7
276.20523	0.5
277.21667	0.5
293.21191	100.0
294.21515	9.6
492.21832	0.4
529.30145	0.9
569.42096	1.2
805.41064	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.5102
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	1.2
59.01241	1.3
61.98693	0.2
63.22216	0.1
69.03316	0.2
71.01248	0.4
71.04891	0.4
71.37470	0.2
78.95795	0.1
81.03333	0.1
83.04893	0.6
89.02282	0.1
93.03322	0.4
95.04881	0.6
97.06445	0.2
101.02316	0.2
107.04891	0.3
109.06469	0.5
111.08033	5.1
112.08386	0.1
113.09615	0.2
119.04899	0.2
121.10110	0.2
123.08047	0.3
125.09600	0.5
127.07527	0.2
135.08015	0.2
135.11754	0.2
137.09615	0.4
141.09081	0.2
149.09622	0.4
151.11203	0.3
153.09000	0.2
155.10629	0.1
163.11198	0.3
165.12755	2.0
166.13072	0.2
167.10651	1.2
177.12778	1.1
179.10692	0.9
179.14377	0.1
181.12263	0.5
183.13826	0.2
187.20753	0.1
191.14330	0.5
193.15923	0.1
195.13823	3.7
196.14101	0.2
197.11629	0.1
203.14426	0.3
209.11742	0.2
217.15912	0.5
219.17497	0.1
235.08315	0.2
247.20650	2.1
249.18741	0.1
253.09245	0.5
273.18570	1.7
274.19000	0.1
277.21725	4.6
278.22070	0.4
288.25443	0.2
291.19641	100.0
292.19980	8.8
446.12683	0.1
639.07776	0.1
805.40039	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.4072
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03308	1.5
58.00473	1.3
59.00965	1.0
59.01246	17.2
61.98706	4.6
69.03284	1.3
71.01253	13.4
71.50825	1.0
72.99152	1.6
73.02839	1.8
80.96378	1.3
83.01233	1.0
85.02812	4.2
87.00724	3.5
89.02301	8.8
96.95905	1.1
97.02815	1.5
99.00716	2.0
101.02323	10.5
109.06454	1.0
111.08067	1.2
113.02314	4.0
115.00250	1.1
119.03374	2.1
125.02313	3.3
143.03395	1.3
161.04408	1.5
175.02419	1.7
179.05508	2.0
183.13844	2.4
211.13324	35.6
212.13574	1.7
221.06680	1.3
235.08327	1.2
239.16444	2.3
241.18091	1.7
253.17987	1.0
271.20300	1.1
275.16418	2.0
315.26852	3.2
317.28409	1.5
325.25311	6.6
333.28027	1.8
341.24664	2.4
343.26483	5.9
351.23221	1.7
359.25763	4.7
361.27673	2.4
369.24112	5.8
377.26929	1.8
379.11948	1.3
387.25366	11.3
397.13544	9.7
405.26431	24.1
406.26672	3.1
415.14319	3.4
591.26398	1.2
609.27771	1.9
743.28766	1.3
785.39331	1.6
803.40613	100.0
804.41010	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	805.5105
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03314	0.5
59.01244	2.8
61.98709	1.8
68.77404	0.3
69.03313	0.5
70.84290	0.9
71.01255	1.5
74.90564	0.3
76.26433	0.3
79.95609	0.3
80.96386	0.9
81.28960	0.3
83.01187	0.4
83.04892	1.0
85.02851	0.3
89.02303	0.5
94.97932	0.4
97.06462	0.4
97.07150	0.3
101.02299	0.7
107.08549	0.6
107.15533	0.3
111.08006	0.5
113.02290	0.4
119.04935	0.3
121.10085	0.4
123.08022	0.3
125.09623	3.4
127.11157	2.4
135.49156	0.3
139.11140	0.5
151.11142	0.8
153.09106	0.4
153.12743	1.9
164.18277	0.3
167.65518	0.3
185.11778	0.4
193.15871	0.7
199.01630	0.3
202.84804	0.3
211.13293	0.8
229.19533	1.4
231.17497	0.4
233.15475	0.4
235.08076	0.4
245.19095	0.7
247.17093	0.5
247.17976	0.5
247.20610	4.8
248.20993	0.4
253.09280	4.2
263.20129	10.3
264.20432	1.1
273.18591	9.4
273.46674	0.3
274.18829	0.7
275.16840	0.3
277.21713	25.2
278.22049	1.8
291.19644	100.0
292.19968	8.8
355.58844	0.3
591.43036	0.3
645.22131	0.4
805.41132	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.2039
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	4.2
60.79161	0.8
68.69234	0.8
71.01239	1.4
85.02827	1.9
86.65814	0.9
101.02287	1.5
109.02805	2.0
115.00224	1.1
117.90633	1.0
119.04906	0.8
125.02374	2.2
130.42354	0.9
133.02823	9.5
147.04373	1.3
149.02315	1.4
160.29802	0.8
161.02347	1.9
163.00259	1.7
163.03928	2.2
165.01813	1.4
173.02386	1.0
175.02432	1.6
175.03883	3.2
186.49457	0.8
191.03368	1.8
193.01332	0.9
197.11769	1.1
225.05460	1.0
241.04982	1.1
255.06587	1.1
284.03250	8.1
285.04056	7.0
297.04028	14.0
298.04709	8.7
299.05542	14.9
300.05905	1.5
309.04184	1.0
311.05612	3.1
325.03256	1.0
327.05072	100.0
328.05487	8.8
339.04965	3.7
357.06100	26.5
357.40289	1.0
358.06479	2.4
369.06134	2.0
393.05927	1.0
447.09302	85.3
448.09698	10.0
811.58972	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.3707
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	0.6
58.00447	0.1
59.01247	100.0
60.01578	1.0
69.03315	0.1
71.01249	10.5
71.51081	0.1
72.01609	0.1
72.99182	0.4
73.02815	3.3
75.00731	0.2
75.27346	0.1
83.01250	1.3
85.02818	5.2
87.00777	0.3
89.02313	1.2
95.01250	0.9
97.02843	0.3
99.00751	1.5
101.02320	5.7
102.02754	0.1
113.02325	3.7
114.02690	0.1
119.03387	0.3
125.02371	0.2
143.03439	0.4
159.02859	0.8
161.04459	3.7
162.04739	0.1
179.05626	0.1
203.05501	0.2
205.03461	0.2
291.68423	0.1
297.17099	0.1
315.18091	9.7
316.18597	0.8
357.19131	2.9
358.19592	0.3
401.18729	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.407
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00453	0.4
59.00961	0.6
59.01249	10.6
59.15396	0.3
61.98696	2.8
69.03318	1.1
69.36289	2.3
71.01252	9.9
72.99173	1.1
73.02812	1.3
78.95781	0.5
81.03300	0.4
83.01260	0.8
83.04897	0.6
85.02804	2.3
85.96188	0.3
87.00745	2.7
89.02318	7.8
91.03835	0.3
95.01251	0.8
95.37266	0.3
96.95865	0.9
97.02827	1.3
98.20582	0.5
99.00723	0.4
101.02321	7.2
102.02680	0.3
104.52699	0.3
113.02327	3.7
119.03389	1.6
124.07472	0.3
125.02324	3.0
131.03366	0.6
143.03412	1.4
149.86101	0.3
150.41441	0.3
152.72690	0.3
161.04419	1.7
165.12764	0.4
167.03426	0.3
167.10741	0.4
167.14316	0.6
167.58730	0.3
171.10182	0.5
175.02406	0.3
179.05531	2.3
183.13820	7.2
193.12234	1.5
209.11739	0.4
209.38565	0.3
211.13332	100.0
212.13678	6.1
217.07135	0.5
221.06575	1.0
225.11238	0.4
235.08176	2.9
253.09320	0.6
253.14482	0.3
259.08078	0.3
263.07739	0.3
285.70508	0.3
287.07681	0.7
305.08633	0.6
323.09787	0.8
341.23477	0.3
379.12427	4.6
380.12476	0.4
387.25797	0.4
397.13467	22.2
398.13989	1.5
405.26501	0.5
415.14600	5.2
415.19955	0.5
429.21240	0.4
591.26556	4.2
592.26880	0.8
609.27594	4.8
610.28430	0.8
785.39240	1.7
786.39337	0.6
803.42480	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.5884
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01234	0.5
69.23730	0.5
69.24125	2.3
72.04028	0.2
89.56332	0.2
98.20570	0.5
101.02359	0.3
171.10210	0.3
223.50912	0.2
255.23262	1.7
261.22250	0.3
270.68402	0.2
277.21722	0.6
279.23273	100.0
280.23636	9.3
280.26819	0.4
327.21750	0.5
401.32715	0.3
411.94492	0.3
506.21661	0.3
650.12762	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.204
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01229	3.5
63.54647	2.6
69.31593	26.8
81.86824	3.5
85.02822	4.9
86.86862	2.6
92.96959	2.9
98.20638	4.1
115.00293	2.7
133.02834	7.3
163.03848	2.8
175.02396	5.8
284.03204	5.5
285.03998	13.4
297.04041	17.7
298.04678	12.5
299.05521	10.7
311.05539	5.5
327.05106	56.4
328.05359	4.1
339.04898	7.1
350.13913	3.0
357.06161	43.2
358.06396	4.9
369.06049	3.8
429.08417	4.7
447.09244	100.0
448.09543	10.0
469.69113	3.4
472.03085	3.5
501.81400	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	801.3916
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	3.1
58.00452	2.4
59.01249	100.0
61.98698	15.5
63.64168	2.0
65.03820	2.5
69.03318	5.2
71.01251	54.2
72.01546	1.6
72.99177	7.0
73.02806	7.8
75.00732	2.1
75.45400	1.6
79.95593	2.7
80.96375	2.7
81.03335	3.8
83.01241	6.0
83.04884	7.1
85.02806	14.4
87.00743	15.3
89.02315	37.3
93.55233	2.1
95.01253	4.3
95.04887	2.4
96.95887	24.6
97.02840	8.6
97.06458	6.7
98.31688	1.8
99.00774	4.1
99.04405	2.5
101.02321	33.8
107.04858	1.9
109.02899	1.8
109.06469	4.1
111.08031	6.0
113.02325	17.9
115.00241	3.4
119.03373	7.7
123.08012	3.1
125.02352	10.8
125.09609	13.3
131.03423	3.6
135.08023	2.7
137.09674	2.5
141.01785	2.3
143.03400	6.0
152.78801	1.8
161.04443	6.6
171.10175	43.0
175.02368	4.1
177.12790	2.2
178.84811	1.6
179.05504	13.6
185.11708	2.2
187.14734	2.4
189.16350	2.0
205.15909	4.8
207.13799	4.0
209.11732	10.4
211.13321	17.1
213.12640	1.8
215.14362	5.8
221.06615	5.8
221.15436	4.3
231.13808	6.4
233.15422	49.5
234.15820	2.0
235.08257	4.2
235.13396	2.9
238.44353	1.9
249.14923	33.0
250.15422	2.3
251.16402	1.9
263.07797	2.5
313.25366	1.9
323.23444	2.0
331.26465	4.4
341.24921	5.9
359.25861	3.0
367.22739	4.6
375.25543	3.7
379.12415	4.6
385.23825	22.7
385.28644	2.8
393.26334	3.0
397.13538	25.9
398.13696	2.2
403.24850	35.1
404.25027	3.7
415.14383	3.0
421.25882	22.8
422.26001	2.8
550.01715	1.9
629.27594	2.9
647.29272	4.3
694.57117	2.1
773.39624	4.7
783.38068	88.1
784.38287	18.9
801.39246	89.6
802.39392	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	801.3923
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	4.2
58.00466	3.5
58.40158	1.5
59.01250	80.5
61.98701	6.5
65.03851	2.7
66.69939	1.4
69.03331	5.3
69.40190	10.8
71.01251	57.7
71.04894	2.0
72.99186	7.1
73.02823	8.8
75.00745	1.6
78.94401	1.5
79.95615	5.3
80.02509	1.5
80.96389	3.9
81.03330	3.9
83.01263	4.7
83.04894	6.2
84.02053	1.5
85.02813	14.7
85.06466	2.2
87.00745	20.1
89.02317	41.8
91.05399	1.6
94.98005	1.5
95.01273	4.8
96.95886	100.0
97.02836	8.1
97.06480	3.9
99.00765	4.2
101.02319	30.8
101.02938	2.7
109.06499	3.7
111.00780	2.2
111.04469	1.6
111.08052	5.5
113.02335	20.2
113.28854	1.6
115.00261	8.2
118.24104	1.5
119.03374	8.3
119.04910	1.8
121.06399	1.7
123.08074	4.0
125.02319	11.0
125.09612	20.9
127.11193	1.5
131.03436	3.1
131.05005	1.5
133.06473	2.6
134.06467	1.3
137.09612	2.1
143.03438	3.9
145.06479	1.6
161.04515	5.3
163.11195	2.3
171.10178	45.7
172.10551	2.1
175.02386	16.7
179.05534	12.8
185.11768	2.8
187.09718	1.6
187.14932	2.2
205.15921	4.6
207.13800	3.5
209.11739	10.2
211.13280	16.0
211.14899	1.6
213.14983	1.9
215.14363	10.5
221.06555	7.2
221.15407	2.8
231.13896	5.3
233.15439	56.1
234.15781	4.5
235.08261	3.8
249.14926	23.2
251.16414	2.1
257.17566	2.1
307.19281	1.8
313.25146	2.3
329.23065	3.4
331.26349	4.9
341.24835	6.3
359.25781	2.6
367.22879	2.0
375.25433	3.9
379.12399	2.9
385.23779	20.3
386.24249	3.9
393.26691	2.5
397.13464	26.9
403.24850	41.0
404.25229	6.7
415.14575	5.0
421.25989	21.6
422.26318	3.1
468.64279	1.5
569.24713	2.1
629.28229	2.1
774.40717	2.0
783.38068	97.8
784.38409	29.6
801.39386	72.5
802.39490	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	801.3036
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	3.4
57.57748	2.1
59.01249	18.2
71.01249	23.8
71.49990	3.5
72.99184	9.9
73.02815	6.6
75.00739	20.1
85.02824	11.0
86.83439	2.4
87.00746	34.4
89.02325	9.2
97.02785	4.1
99.00766	4.5
101.02321	10.2
111.00729	2.1
113.02334	5.1
115.00253	55.9
121.02858	2.3
123.04449	2.8
125.02312	3.6
127.03888	1.9
129.01839	3.0
135.02838	2.3
143.03363	4.0
166.02724	2.9
169.04962	3.4
171.10176	22.9
175.02396	100.0
176.02814	3.2
193.12196	2.8
195.13695	2.5
197.11732	17.5
200.89030	2.3
205.03505	3.1
211.13568	3.6
223.13266	3.5
239.12900	3.4
241.10712	2.5
241.14566	4.5
263.12985	2.2
267.12335	4.2
285.13480	22.6
286.13626	2.7
327.05267	5.4
397.13528	10.0
415.14410	5.7
447.09186	6.9
589.93927	2.7
656.84076	2.4
681.26410	7.3
683.27545	48.9
684.27905	7.9
723.27161	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	801.2979
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	10.3
61.98702	5.7
68.70013	0.6
69.29845	6.2
71.01263	5.3
72.99174	0.9
73.02811	2.8
78.95789	0.9
83.01260	1.2
85.02816	2.1
87.00750	1.1
88.98672	1.5
89.02309	1.4
92.27190	0.7
92.60500	0.7
93.03320	1.2
95.01266	1.2
96.95887	3.1
101.02310	3.3
108.02048	1.2
109.02843	1.7
113.02313	2.6
115.00224	0.9
116.92686	1.4
121.02823	3.3
122.03644	1.2
123.00780	1.8
124.01552	1.6
125.02307	1.2
125.29027	0.7
134.03598	1.1
136.01552	46.2
137.02380	7.2
139.03854	1.1
146.03598	0.9
149.02351	1.5
149.05981	1.1
151.00276	11.6
151.03903	59.8
152.01015	1.1
152.04413	3.0
160.05185	1.1
161.04475	1.5
161.05888	0.9
162.03090	0.9
163.03951	1.6
165.05434	0.9
166.02617	37.2
167.03419	4.1
175.02440	1.5
175.03932	2.2
175.07585	1.5
177.01874	1.3
177.05486	1.6
179.05534	0.8
181.04971	52.8
182.05289	1.8
187.03964	1.1
189.05479	2.0
190.06256	3.1
191.03407	2.9
193.04930	1.3
203.07062	0.9
205.04982	3.2
205.08653	1.3
206.05766	2.3
207.06647	0.9
219.06541	1.1
220.07228	1.1
221.08072	5.7
294.05319	0.9
297.07739	1.3
299.09717	0.9
306.07565	1.3
309.07599	1.6
324.09973	1.1
327.08691	1.1
329.10327	2.6
339.08685	1.3
341.02533	0.7
342.11044	6.7
357.09637	10.7
357.13467	29.9
358.09760	1.4
358.13748	3.5
369.13358	3.2
371.15112	1.7
372.12064	12.6
373.12576	1.9
387.14487	100.0
388.14713	8.8
401.16028	2.4
417.15363	6.7
431.09879	1.4
446.10355	0.8
567.22333	10.7
568.22772	1.9
579.22339	1.9
597.23352	43.8
598.23645	8.0
740.41699	1.2
758.43689	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.2609
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	100.0
71.01256	52.0
72.99171	2.9
73.02820	57.8
83.01257	23.2
83.46260	1.8
85.02835	5.5
87.00754	2.7
89.02314	11.7
93.03322	3.3
95.01252	2.4
98.19779	4.0
101.02332	61.4
113.02321	22.8
118.06516	25.4
119.03360	4.4
119.06843	7.5
121.02853	4.8
122.03643	9.9
125.02347	3.4
125.51850	1.8
131.03394	5.9
136.01604	2.6
143.03421	6.5
149.02350	22.5
149.04398	10.5
150.03136	69.5
151.03534	3.3
155.03389	2.7
160.07558	2.2
161.04456	15.4
162.03094	2.0
164.04674	3.5
165.04131	3.8
165.05481	59.0
166.05928	3.3
177.05513	2.2
180.04161	2.4
195.06573	41.1
196.06947	2.9
203.05452	2.1
221.06601	5.0
263.07056	4.2
268.63846	1.8
281.08133	9.7
293.08237	3.4
296.10419	2.4
308.07187	1.9
309.07666	28.3
310.08224	2.6
323.09161	7.7
324.10031	15.1
325.10635	2.4
339.12360	48.0
340.12717	6.3
487.17722	12.1
622.47748	1.9
757.26086	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	801.2979
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	10.3
61.98702	5.7
68.70013	0.6
69.29845	6.2
71.01263	5.3
72.99174	0.9
73.02811	2.8
78.95789	0.9
83.01260	1.2
85.02816	2.1
87.00750	1.1
88.98672	1.5
89.02309	1.4
92.27190	0.7
92.60500	0.7
93.03320	1.2
95.01266	1.2
96.95887	3.1
101.02310	3.3
108.02048	1.2
109.02843	1.7
113.02313	2.6
115.00224	0.9
116.92686	1.4
121.02823	3.3
122.03644	1.2
123.00780	1.8
124.01552	1.6
125.02307	1.2
125.29027	0.7
134.03598	1.1
136.01552	46.2
137.02380	7.2
139.03854	1.1
146.03598	0.9
149.02351	1.5
149.05981	1.1
151.00276	11.6
151.03903	59.8
152.01015	1.1
152.04413	3.0
160.05185	1.1
161.04475	1.5
161.05888	0.9
162.03090	0.9
163.03951	1.6
165.05434	0.9
166.02617	37.2
167.03419	4.1
175.02440	1.5
175.03932	2.2
175.07585	1.5
177.01874	1.3
177.05486	1.6
179.05534	0.8
181.04971	52.8
182.05289	1.8
187.03964	1.1
189.05479	2.0
190.06256	3.1
191.03407	2.9
193.04930	1.3
203.07062	0.9
205.04982	3.2
205.08653	1.3
206.05766	2.3
207.06647	0.9
219.06541	1.1
220.07228	1.1
221.08072	5.7
294.05319	0.9
297.07739	1.3
299.09717	0.9
306.07565	1.3
309.07599	1.6
324.09973	1.1
327.08691	1.1
329.10327	2.6
339.08685	1.3
341.02533	0.7
342.11044	6.7
357.09637	10.7
357.13467	29.9
358.09760	1.4
358.13748	3.5
369.13358	3.2
371.15112	1.7
372.12064	12.6
373.12576	1.9
387.14487	100.0
388.14713	8.8
401.16028	2.4
417.15363	6.7
431.09879	1.4
446.10355	0.8
567.22333	10.7
568.22772	1.9
579.22339	1.9
597.23352	43.8
598.23645	8.0
740.41699	1.2
758.43689	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.2617
Annotation	Unknow
Peak:m/z	Relative Intensity
58.50639	1.2
59.01251	100.0
69.03355	1.7
70.53706	4.1
70.66626	1.3
71.01255	56.6
72.01582	1.3
72.99187	2.2
73.02821	64.4
75.00747	1.4
83.01254	24.4
84.88036	1.3
84.98670	1.4
85.02363	1.3
85.02811	6.2
86.44173	1.2
87.00771	1.3
89.02317	9.7
93.03343	2.9
95.01268	3.0
98.21621	1.3
101.02326	61.7
102.02639	2.0
113.02337	18.4
113.32641	1.3
118.25246	1.2
119.03417	4.5
121.02847	11.2
122.03642	7.9
123.04464	2.2
125.02314	3.4
131.03358	5.2
136.01546	3.5
137.02431	1.2
143.03403	5.4
149.02359	27.0
149.04434	5.4
150.01965	2.7
150.03136	40.6
161.04439	12.3
162.03117	3.8
164.04674	5.6
165.05476	34.8
165.06870	2.2
166.05765	2.3
177.05521	6.8
195.06572	21.7
203.05472	1.8
221.06561	3.9
253.08792	1.6
281.08167	5.8
291.06708	1.3
293.08096	1.8
295.09641	1.4
309.07693	25.7
309.10962	1.0
310.08298	4.6
314.59329	1.3
323.08762	2.3
324.10049	13.6
325.10580	4.4
339.12366	32.8
340.12723	2.4
378.93161	1.2
396.58762	1.2
403.01474	1.2
487.17609	42.4
488.18121	5.9
657.91077	1.3
676.35272	1.6
709.24982	2.1
715.26324	2.0
716.52258	1.5
757.27283	5.7
758.28204	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	799.3424
Annotation	Unknow
Peak:m/z	Relative Intensity
56.39567	0.3
59.01239	0.3
61.98694	0.7
69.78413	0.2
71.01241	0.4
71.50610	0.5
73.02814	2.5
74.67834	0.3
75.00735	0.7
78.95773	0.6
78.98450	0.3
79.95597	0.6
80.96383	3.9
93.42710	0.3
94.97977	0.5
99.00748	0.5
99.92454	11.3
100.92471	0.6
101.02299	0.3
107.75219	0.2
114.93327	0.5
116.92738	100.0
116.97085	1.7
117.01824	4.4
117.92741	5.3
122.43206	0.2
134.97499	0.5
141.43095	0.2
142.60541	0.3
152.98482	0.3
164.98485	0.5
167.43280	0.3
197.08624	0.2
209.11678	0.4
211.13242	0.4
225.00665	1.2
253.79785	0.3
255.23352	0.5
277.21848	0.5
391.45703	0.3
438.26102	0.3
528.38751	0.3
781.40704	0.7
799.41510	3.4
800.42639	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	799.4853
Annotation	Unknow
Peak:m/z	Relative Intensity
57.04639	0.3
59.01252	16.8
61.98699	0.4
66.28992	0.4
69.20521	1.5
69.20942	2.5
70.37326	0.3
71.01241	2.7
80.96381	1.0
81.52772	0.4
85.02814	0.7
87.00739	0.6
89.02329	1.6
101.02330	1.9
113.02350	1.1
125.30137	0.4
161.04408	0.8
167.14310	0.7
172.51814	0.4
179.05490	0.4
183.13858	6.3
193.12314	1.5
211.13344	100.0
212.13672	6.7
218.07948	0.4
235.08186	1.5
253.09276	5.5
277.21722	55.5
278.22046	5.1
429.21112	1.5
447.16019	0.6
447.22269	9.4
448.22626	0.7
513.30579	0.6
533.45331	0.4
557.42767	0.4
707.43787	0.7
712.27777	0.4
781.41046	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	800.2145
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01412	0.7
57.03322	1.4
59.01247	100.0
65.99722	0.9
66.03339	2.0
67.27483	0.8
68.00951	0.9
68.01287	3.6
68.61797	0.7
68.99685	1.1
69.03329	2.0
69.44134	4.9
71.01249	15.8
71.59142	0.8
72.99178	1.9
73.02810	7.6
75.00739	16.8
76.66427	0.8
78.03358	1.6
82.02834	1.4
83.01246	4.6
83.16835	0.8
84.00778	1.8
85.02818	7.5
86.02354	3.1
86.29562	0.8
87.00748	41.1
87.01285	2.0
88.01069	0.9
89.02329	1.6
90.03386	1.5
94.02853	12.3
95.01284	3.3
97.02810	5.1
98.02354	4.8
99.00726	3.9
101.02336	10.1
106.02962	1.1
109.02821	2.0
110.02352	10.6
111.00769	2.4
112.03939	3.1
113.02331	8.2
116.04995	1.3
118.02872	3.1
118.61185	0.9
120.04465	1.8
121.02808	4.3
122.02370	11.8
124.03926	1.5
125.02352	3.5
127.00249	4.4
129.01837	1.1
131.03500	1.9
134.02377	12.3
135.04369	1.8
136.03922	2.5
137.02364	4.4
139.03915	0.9
140.03406	6.0
140.04927	1.4
141.01820	7.4
143.03371	4.9
144.04434	3.6
145.04938	1.1
146.02393	2.8
146.06076	1.2
147.04420	6.2
149.04526	1.0
152.03439	2.9
155.03401	1.8
157.06583	1.0
159.02885	2.3
161.04512	5.0
163.03920	8.5
164.03421	8.6
166.04941	1.6
168.04477	2.1
170.04642	1.7
170.06020	1.1
171.05621	1.2
173.04466	1.2
182.04504	9.2
182.05974	1.4
186.05536	2.9
189.06700	1.7
192.06595	1.8
198.05516	1.5
201.03978	26.1
203.05533	2.5
209.05293	1.3
209.07133	10.4
210.07440	1.2
210.72282	0.9
212.07127	3.7
213.06642	1.0
216.06598	1.7
224.05603	2.0
225.06680	1.2
228.06686	2.6
230.06686	6.6
242.06686	3.5
276.08795	2.6
277.09213	0.9
297.08807	2.0
348.10904	1.2
375.11584	1.4
404.09390	0.8
684.57153	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	798.2979
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98702	100.0
64.62001	0.2
65.22276	0.2
71.51539	0.3
71.51930	0.3
78.68984	0.2
82.81038	0.2
83.64713	0.2
133.63849	0.2
151.19420	0.2
165.01904	0.2
253.15024	0.2
266.70331	0.2
333.68707	0.2
537.98218	0.2
604.36981	0.2
645.93579	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	799.1941
Annotation	Unknow
Peak:m/z	Relative Intensity
56.07084	0.3
57.31210	0.2
59.01249	36.8
60.01592	0.3
65.00207	0.4
71.01253	1.1
71.50557	0.5
72.99176	0.2
73.02818	0.4
75.00755	0.8
83.01266	0.3
85.02837	0.4
87.00748	0.5
89.02319	0.4
91.01765	9.7
93.03333	23.3
94.03683	0.5
95.01256	0.4
96.13578	0.2
101.02301	0.8
107.04919	1.8
108.02068	0.4
113.02312	1.0
115.00248	0.7
119.01278	4.5
121.02847	11.8
122.03144	0.4
123.04403	0.3
133.02806	0.6
135.04405	0.5
136.01569	0.8
137.02344	40.7
138.02675	1.4
143.03452	0.4
149.02353	0.9
151.03917	100.0
152.04263	3.8
161.02361	0.5
175.02434	1.6
179.03404	1.3
191.03448	0.7
207.05141	0.7
212.41269	0.3
233.04599	0.3
263.05676	1.7
281.06650	18.1
282.06982	0.9
323.07684	6.4
324.08167	0.5
360.76276	0.3
428.27304	0.3
507.11142	0.3
551.30780	0.5
593.31567	0.4
624.31525	0.3
624.44653	0.3
630.22156	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	798.2248
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	14.8
71.01251	10.3
72.99180	1.9
76.45849	1.6
89.02336	2.1
101.02335	3.1
109.02807	7.6
116.04929	11.0
133.02856	33.4
134.03590	2.7
146.09605	1.9
149.02318	2.5
161.02246	1.8
173.02344	2.3
175.00127	2.4
175.02443	2.6
175.03888	9.2
177.01845	4.1
178.41064	2.0
189.01799	2.3
199.03929	3.0
199.20132	1.9
201.01855	4.2
202.02637	2.4
203.03374	7.1
205.01340	3.0
214.02643	1.8
217.04938	3.5
219.02992	2.3
224.04761	1.8
227.03404	2.8
227.81953	1.8
229.01321	2.1
240.04276	1.9
243.02837	1.9
245.04443	6.7
255.02959	2.3
267.06628	2.9
275.05502	4.0
279.06711	2.6
283.06262	2.6
285.04105	3.1
295.06021	7.0
297.03976	5.9
298.04834	3.7
299.05624	15.5
309.03903	6.1
310.04813	7.6
311.05511	10.9
312.06253	3.8
323.05579	8.9
324.05975	2.6
325.07016	3.9
327.05087	33.9
327.08655	3.6
328.05209	2.7
337.07178	2.7
338.04004	2.3
339.05078	15.4
340.05368	2.3
351.05051	3.8
353.06702	19.1
357.06107	14.6
365.06055	2.9
369.06104	8.4
381.06122	36.2
382.06296	4.8
383.07684	8.3
393.06238	3.0
411.07205	18.0
412.07458	3.2
423.07147	2.4
424.07965	2.3
429.07956	2.4
447.09286	63.4
447.15549	3.0
448.09637	5.2
454.09082	3.7
480.10486	2.9
498.11832	8.4
499.12161	2.6
501.10382	10.2
510.11874	3.1
528.12897	8.0
561.12030	9.9
591.13489	6.6
600.15228	2.5
618.16211	22.8
619.16534	3.4
663.16125	3.5
678.18219	8.7
681.16534	27.8
682.16528	6.0
708.19507	5.0
780.21472	2.0
798.22400	100.0
799.23016	21.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	797.3029
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01262	1.2
61.98720	1.4
65.63989	0.9
71.51631	1.3
88.35232	0.9
93.03328	4.1
99.92456	1.1
108.02078	1.2
116.92744	9.2
117.92741	3.5
121.02834	7.4
122.03625	13.7
123.00818	1.1
133.02829	1.8
135.04488	1.8
136.01558	2.8
137.02333	4.8
137.15549	1.1
145.02821	1.8
146.03638	46.0
147.04294	3.4
149.02347	48.9
149.05963	1.5
150.03133	93.8
151.03899	5.2
161.05997	14.3
162.03104	1.7
163.03909	2.6
164.04707	41.1
165.01851	21.2
165.05487	98.3
166.02399	1.1
166.05791	4.5
175.03928	2.0
177.05457	2.2
179.03558	7.1
179.07051	51.9
180.04216	19.6
180.07368	3.3
181.04901	3.3
194.05714	3.0
195.06555	100.0
196.06898	3.1
205.04999	2.1
210.05222	1.8
225.07637	12.3
226.07999	1.4
230.77794	1.2
283.09802	1.0
299.09222	2.8
312.10001	8.7
327.08920	1.2
327.12350	25.6
328.12646	3.2
343.08344	1.2
343.11832	7.1
344.12143	1.1
357.13367	2.3
373.12906	43.1
374.13211	4.5
375.14328	3.3
391.13751	1.2
403.13776	1.5
421.15036	25.3
422.15326	3.4
553.20544	4.9
554.20642	1.3
568.64508	1.1
569.20087	9.0
596.25171	1.1
617.22485	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	798.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
57.98822	0.6
59.00956	1.3
59.01251	26.8
71.00852	1.0
71.01251	13.4
71.52692	1.1
72.99174	1.2
73.02819	6.2
75.00793	0.7
83.01251	2.2
85.02810	6.1
86.02370	1.3
89.02308	2.7
95.01253	0.7
98.02320	0.9
99.00751	1.5
101.02318	8.5
107.04909	2.3
110.41418	0.7
113.02345	3.7
119.03385	1.0
120.01133	5.8
133.06473	2.3
136.16176	0.7
137.00557	7.8
149.00566	13.6
149.05954	1.0
151.03918	7.9
161.04471	2.3
161.05981	2.2
174.39143	0.7
176.07088	100.0
177.07414	5.1
214.19666	0.7
245.09239	1.5
269.10361	2.2
313.09268	2.8
320.11435	2.8
329.07013	5.1
338.12448	42.7
339.12756	2.6
355.10403	3.2
371.08145	5.6
380.13510	12.4
381.13831	1.1
382.11722	4.2
383.12332	0.9
416.10208	82.7
417.10516	8.2
424.12573	1.2
458.11212	29.1
459.11539	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	796.2667
Annotation	Unknow
Peak:m/z	Relative Intensity
56.87104	0.3
57.03295	0.3
58.00480	0.4
59.01248	100.0
60.01584	1.1
69.03361	0.5
71.01252	7.7
72.99200	0.3
73.02824	2.6
83.01259	0.9
85.02808	3.7
89.02307	3.0
97.02834	0.7
99.00767	1.1
101.02312	5.7
101.02921	0.4
103.03876	3.4
113.02342	1.3
119.03423	1.1
125.02346	4.4
127.03895	0.4
139.48198	0.4
140.79666	0.3
143.03426	0.4
145.05009	0.5
151.83635	0.4
161.04497	1.1
163.06033	5.2
164.06416	0.4
188.14580	0.3
235.51624	0.4
247.08200	0.8
253.99379	0.4
269.10242	4.2
270.10822	0.4
286.81848	0.4
289.09406	0.6
307.10315	10.4
308.10886	0.7
311.11340	4.5
312.11523	0.5
440.15369	1.6
441.15820	0.4
657.36768	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.4325
Annotation	Unknow
Peak:m/z	Relative Intensity
56.86748	0.1
59.01255	0.2
61.98707	1.2
70.26846	0.3
70.27245	0.3
71.01270	0.2
72.00783	0.3
72.04424	0.2
72.22677	0.2
73.02821	6.0
73.03955	0.3
74.02348	3.8
75.00749	1.2
83.04903	0.3
84.01919	0.2
87.00787	0.2
99.00739	0.9
99.92463	7.5
100.92461	0.3
102.01910	0.2
114.93315	0.6
115.00298	0.2
116.03424	3.1
116.92747	100.0
117.01824	11.9
117.02935	1.5
117.03715	0.3
117.05453	0.3
117.92747	5.4
118.01363	0.5
244.03134	0.2
255.06598	0.4
270.09058	0.2
271.09659	0.2
301.10855	0.3
405.24539	0.2
647.41040	0.2
677.49628	1.2
678.49957	0.4
735.52283	0.3
787.10162	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.4168
Annotation	Unknow
Peak:m/z	Relative Intensity
56.23505	1.2
57.03313	6.0
58.00460	2.3
59.01248	81.5
61.98701	18.4
68.99684	2.2
69.03328	7.0
69.85660	7.5
71.01252	100.0
71.39020	1.3
72.01582	2.4
72.99178	6.1
73.02816	35.7
75.00749	3.0
75.59167	1.2
78.95758	1.6
78.99509	1.1
81.03317	2.3
83.01255	26.6
85.02818	51.6
87.00752	17.3
88.00253	1.6
88.98689	4.8
89.02321	15.8
93.03347	1.5
95.01259	12.9
96.95883	2.1
97.02818	11.4
98.20518	1.9
99.00758	14.2
99.04401	2.7
101.02317	74.9
108.06837	1.5
109.02789	3.5
111.00768	4.9
113.02321	54.2
119.03415	4.4
125.02328	14.8
127.03933	2.2
129.01814	1.5
131.03375	3.1
143.03412	21.6
148.85672	1.3
149.02425	1.3
155.03407	2.4
158.52298	1.6
159.02919	4.5
161.04462	20.8
179.05400	1.6
202.26077	1.4
203.05540	2.5
210.03566	1.6
221.06725	3.7
227.05522	1.3
245.06584	5.2
325.25211	1.9
395.26041	2.3
397.27518	4.4
409.27374	3.1
417.55527	1.5
427.28412	2.3
429.30060	5.7
473.29160	5.1
525.32428	8.7
591.35388	73.7
592.35706	10.2
633.36469	5.6
657.36053	1.6
661.36066	1.8
697.33441	1.4
735.39600	29.8
736.39771	6.3
753.40564	75.1
754.40753	12.9
795.41876	71.0
796.42322	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	793.2953
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	0.3
61.98698	0.6
69.79324	0.6
71.01270	0.2
73.02817	5.5
75.00742	0.8
80.96387	0.3
87.00738	0.2
89.02320	0.2
97.54007	0.1
98.20470	0.2
99.00732	1.2
99.92458	9.5
100.92471	0.6
101.02367	0.1
114.93289	0.5
115.00256	0.1
116.03437	0.3
116.92742	100.0
116.97115	1.9
117.01816	9.8
117.05424	0.2
117.92749	4.5
118.02135	0.1
154.38104	0.1
191.65941	0.1
277.21799	0.2
291.19617	0.1
335.17807	0.1
397.13528	0.3
398.13461	0.1
415.09909	0.2
415.14853	0.2
430.09677	0.1
627.89880	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	793.2951
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	0.5
61.98689	0.3
65.87856	0.1
71.01250	0.3
71.05201	0.3
73.02812	3.9
75.00739	0.5
78.95802	0.2
80.96388	0.2
82.26440	0.1
89.02290	0.2
99.00740	1.1
99.92454	10.1
100.92484	0.3
114.93314	0.5
116.03437	0.1
116.92738	100.0
116.97111	2.5
117.01810	6.8
117.05439	0.2
117.92749	4.5
151.70062	0.1
186.58621	0.1
190.19789	0.1
247.29231	0.1
251.45079	0.1
277.21594	0.3
285.12338	0.2
291.19604	0.2
335.17398	0.2
397.13458	0.2
539.25079	0.1
799.28180	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	795.3111
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01243	0.6
61.98684	0.3
73.02810	2.4
84.02428	0.2
89.59214	0.2
96.95879	0.3
98.20647	0.5
99.00781	0.3
99.92451	10.2
100.92470	0.3
114.93284	0.5
116.92739	100.0
116.97121	6.6
117.01814	4.6
117.92741	5.9
121.31052	0.3
138.38210	0.2
158.32281	0.3
179.50789	0.3
261.00201	0.3
279.23163	0.4
337.19196	0.6
702.60999	0.4
795.37848	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.1929
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03328	0.9
59.01250	65.7
60.01582	1.1
60.62273	0.8
60.77318	0.7
68.01291	2.1
68.99677	1.1
71.01253	40.4
71.52628	1.6
72.99181	74.2
73.02816	10.7
73.99516	0.9
75.00746	36.6
83.01248	4.7
84.00788	1.5
85.02822	6.3
85.99985	1.1
87.00751	18.3
89.02315	14.2
90.03358	1.5
93.03346	2.3
95.01277	1.7
99.00760	42.5
101.02323	8.8
103.00266	4.3
109.02827	1.8
110.02354	2.6
111.00783	1.9
113.02336	6.1
115.00236	2.3
117.01823	21.9
118.02873	18.0
119.03279	1.6
121.01962	1.7
121.02840	31.6
122.03201	1.5
125.02328	1.0
129.01855	1.0
131.03595	3.7
135.04404	3.7
137.02310	1.7
141.01799	4.4
145.03987	2.3
146.02382	100.0
147.02791	4.8
147.04445	3.9
148.03938	2.5
157.01355	0.9
159.02939	1.5
160.03914	2.6
161.04462	6.3
163.02686	1.3
163.03925	9.1
164.03427	3.4
164.07098	2.0
165.06572	1.3
166.04961	1.8
175.02495	0.9
175.03938	1.2
203.05542	2.1
230.06645	10.6
231.06918	1.0
276.08755	3.1
289.14209	0.9
292.08270	1.8
310.09235	0.9
336.10797	1.3
352.10388	3.3
368.09937	1.5
372.28036	0.9
375.11417	0.8
420.59445	0.9
508.22800	0.9
703.02850	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	787.2814
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01763	1.0
57.03312	0.9
58.00462	1.9
59.01249	100.0
60.01588	1.8
60.02698	0.5
61.98697	4.4
62.87061	0.5
69.03337	2.3
71.01252	48.7
71.50223	0.9
72.99176	3.3
73.02818	52.7
74.03189	0.8
75.00755	1.5
75.94122	0.5
78.95770	7.6
80.96390	1.1
83.01262	18.4
85.02814	6.1
86.67005	0.5
87.00748	3.1
88.98696	0.5
89.02314	9.4
93.03349	0.8
95.01283	2.3
96.95905	2.3
96.96824	4.6
97.02848	2.0
99.00780	1.2
99.04408	0.6
101.02321	59.1
102.02650	0.9
105.01870	0.8
108.02033	0.6
109.02844	0.8
113.02333	19.2
117.01842	0.6
117.03362	1.7
119.03391	6.1
119.04897	1.2
121.02807	2.5
122.03629	1.0
123.00810	1.2
123.04404	0.8
125.02340	3.2
131.03380	6.2
131.13004	0.5
133.02849	1.4
134.03700	1.0
135.04428	1.1
136.01566	11.8
137.02324	2.3
142.17203	0.6
142.43309	0.6
143.03406	5.7
145.02852	8.5
146.03645	2.5
147.04510	1.4
149.02371	2.3
149.04460	8.3
150.03133	6.0
151.00266	4.8
151.03909	11.3
154.19200	0.5
155.03410	1.9
161.02388	6.6
161.04501	14.4
161.05887	1.0
162.03128	33.6
163.03864	1.6
164.04712	0.9
165.05505	6.0
166.02620	11.8
167.39728	0.6
175.03943	0.9
177.01936	1.0
177.05490	26.3
178.05791	0.8
179.05576	0.9
179.07004	0.9
180.04283	1.2
181.04991	15.0
189.05525	0.8
190.06372	0.8
192.04291	0.6
193.05045	1.4
195.06584	6.9
203.05568	1.5
207.06645	0.7
219.06656	1.7
221.06688	1.5
235.15265	0.5
291.83926	0.6
339.11026	2.4
355.12262	0.6
357.10129	1.9
369.13553	0.9
372.11935	0.7
386.13943	0.9
387.14496	9.4
387.19244	0.7
388.14709	0.7
398.39536	0.7
441.17361	0.6
472.08740	0.6
535.19885	2.1
539.33728	0.7
547.19690	11.7
548.19702	2.6
583.21826	0.9
727.25604	0.6
743.39008	1.3
787.31604	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.2817
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01758	1.2
57.03327	1.0
58.00464	1.9
59.01251	100.0
60.01601	0.6
69.03320	1.7
71.01253	49.6
72.59180	0.3
72.99172	2.0
73.02819	58.9
73.06020	0.3
74.03157	0.8
75.00738	1.7
75.08930	0.3
81.03351	0.8
83.01259	18.1
85.02820	7.9
87.00742	1.5
89.02322	10.2
93.03326	1.6
94.62438	0.3
95.01273	2.6
97.02851	1.0
98.20600	0.5
99.00750	0.7
101.02322	57.9
102.02682	1.0
108.02036	0.3
113.02330	22.0
114.02673	0.3
119.03392	5.0
121.02847	3.5
122.03632	6.0
123.00791	0.5
123.04417	0.6
125.02354	2.7
131.03398	5.3
133.02838	0.5
136.01564	1.1
137.02321	0.4
138.91365	0.3
143.03406	5.2
146.03648	0.4
149.02351	13.9
149.04373	5.1
150.03130	35.3
151.03603	1.3
155.03394	1.4
160.01543	1.2
161.04457	11.6
162.03128	0.8
164.04712	2.5
165.05482	30.7
166.05849	1.1
175.07463	0.3
177.05484	1.1
179.05501	0.6
179.06992	0.6
180.04205	1.9
181.05006	0.3
195.06554	19.9
196.06889	0.9
203.05495	0.9
218.65482	0.3
221.06476	1.1
240.07732	0.5
243.06673	0.4
244.07205	0.3
252.07896	0.4
255.10193	0.7
267.10373	0.3
268.07318	1.8
279.06537	0.6
280.07489	1.7
283.09625	1.3
293.08093	0.5
295.06082	0.5
296.06970	1.9
307.06128	0.4
308.06958	1.9
309.07501	1.4
311.09253	3.2
321.07727	0.6
322.08475	1.0
323.09283	3.8
323.12839	0.6
324.06219	1.7
324.09921	1.3
325.06882	0.7
337.10883	0.7
338.11545	1.5
339.08704	16.0
339.12170	0.6
340.09033	2.3
354.11096	4.9
355.11792	0.8
357.13422	0.6
369.13403	31.6
370.13818	2.6
427.11548	0.4
517.18622	11.7
518.18945	1.9
535.19293	0.5
536.08618	0.4
565.20007	0.5
583.21271	0.5
787.27417	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.2818
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	1.0
57.03308	1.2
58.00466	1.4
59.01248	100.0
61.87235	0.9
61.98689	4.4
69.03319	2.7
71.01250	45.3
71.59892	0.8
72.99171	1.6
73.02816	55.9
74.03136	1.0
75.00717	0.9
78.50603	0.9
78.95779	2.0
83.01257	17.3
85.02826	9.4
87.00779	1.5
89.02320	13.4
93.03339	4.7
95.01254	3.4
98.20615	1.7
101.02322	50.4
103.08353	0.9
113.02324	23.4
118.82776	0.9
119.03393	7.1
119.25875	0.8
121.02848	10.3
122.03631	17.7
124.01526	1.7
125.02343	2.2
131.02443	0.9
131.03351	5.5
133.02850	2.2
134.03648	0.9
135.04431	4.9
136.01553	13.9
137.02335	3.1
143.03384	5.2
145.02832	1.0
147.04391	1.3
149.02351	30.6
149.04442	4.5
150.03125	97.0
151.00334	4.4
151.03928	19.4
152.04224	1.3
155.03401	1.4
159.04402	1.1
160.05046	1.2
161.04451	10.5
162.03058	1.0
163.03900	3.2
164.04727	5.7
165.05475	97.4
166.02644	11.5
166.05753	5.1
167.03271	2.9
175.03944	2.7
177.05400	1.9
179.03398	0.9
179.05510	1.2
179.06973	2.0
180.04210	7.2
181.04976	13.7
189.05481	2.7
190.06306	4.8
195.06554	63.0
196.06882	2.9
221.06410	1.5
268.07495	1.7
280.07410	1.8
296.06741	2.9
297.07944	1.0
308.06815	1.5
309.07608	3.0
311.09341	2.3
314.07709	1.1
322.08173	1.2
323.09204	5.0
324.06424	1.4
324.09875	2.8
326.11523	1.2
337.10815	1.6
338.11545	2.0
339.08704	18.7
339.36475	1.0
340.09164	1.7
342.11130	1.7
354.11160	5.2
355.11703	2.0
356.12708	1.5
357.09644	2.9
357.13400	5.9
369.13406	32.6
370.13779	3.2
370.18451	1.0
372.12152	2.2
373.12656	1.4
387.14456	32.1
388.14731	3.6
505.18747	2.6
517.18414	2.1
535.19763	32.3
536.20190	6.2
565.20728	2.2
583.21808	19.2
584.21759	2.0
659.09668	1.0
739.26367	1.0
744.24976	1.0
765.12817	1.1
787.30280	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	785.3956
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03310	2.1
58.00449	1.3
59.01251	29.2
61.98706	4.2
69.03328	1.7
70.65207	2.6
71.01247	23.8
72.99185	2.3
73.02805	3.3
78.95789	0.8
79.07087	0.8
81.03318	1.3
83.01247	2.4
83.04911	1.7
85.02806	6.4
87.00761	7.8
89.02317	19.4
93.03285	1.1
95.01233	1.6
95.04889	1.3
96.95879	0.9
97.02856	4.1
99.00741	2.1
101.01709	1.7
101.02316	17.1
109.02805	0.9
109.06472	1.5
111.04443	1.0
111.08046	1.1
113.02336	10.5
119.03362	4.9
119.08482	1.0
125.02346	4.7
135.08081	1.6
137.09659	1.3
143.03371	2.2
161.04440	3.2
179.05515	7.4
203.14259	1.1
211.13303	1.2
213.14871	1.1
218.61934	0.8
221.06573	3.3
223.61945	0.9
231.17210	1.0
235.08197	1.7
237.14973	0.9
239.16415	2.3
241.18050	1.5
247.13432	0.9
263.07739	0.9
265.18024	1.5
275.16522	2.1
277.17816	1.1
293.21326	1.0
293.28445	0.8
315.26862	2.4
325.25446	6.1
325.28583	1.2
341.24600	2.4
343.26352	5.2
351.23203	1.8
359.26016	5.4
361.27594	2.4
369.24393	6.1
377.26993	1.5
387.25375	19.7
388.25443	1.4
397.13409	10.8
405.26404	37.9
406.26563	4.2
411.40036	0.9
452.61325	1.0
479.29904	1.6
574.08124	0.9
623.34222	2.2
753.40558	1.3
757.40985	1.1
767.38751	2.0
785.39618	100.0
786.39905	22.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.31
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01764	0.7
57.03317	0.8
58.00458	0.6
59.01250	14.5
61.98701	29.4
67.01773	1.3
70.43033	0.6
71.01252	20.9
71.50928	0.8
72.99174	2.7
73.02818	1.6
75.00757	1.5
78.95754	0.8
83.01254	4.6
84.02045	1.8
85.02833	3.3
87.00751	37.7
88.01088	0.7
89.02321	2.6
99.00749	1.0
101.02328	3.4
111.00743	3.4
112.98708	1.1
113.02328	2.3
115.00259	59.3
116.00599	0.9
127.00294	1.5
139.00224	4.0
152.01045	1.1
157.01349	6.6
162.54698	0.7
165.05487	0.6
167.03395	1.2
171.65486	0.6
175.02397	100.0
176.02739	2.6
193.16081	0.6
195.13918	0.7
210.51982	0.5
213.42149	0.6
235.16948	1.6
237.14981	1.0
239.16408	1.4
241.14342	3.0
247.13278	0.8
251.16446	0.7
253.18109	0.8
261.14929	1.5
263.16458	1.1
267.06647	1.9
268.06931	1.0
281.17587	1.6
287.14999	1.6
295.06143	2.9
296.06458	1.7
297.06323	0.7
307.15372	0.8
325.07224	0.9
326.07602	0.8
415.10315	2.4
415.15283	0.6
416.10992	1.9
417.10938	1.9
423.42426	0.6
519.31757	0.9
537.32294	0.8
579.33795	1.2
655.28021	0.8
667.27991	4.3
681.29932	1.9
685.29785	2.4
705.29871	2.0
723.30579	5.2
725.29016	1.1
767.29913	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.3964
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01747	1.2
57.03311	2.3
58.00466	1.9
59.01248	33.3
61.98689	4.5
66.02013	0.7
69.03312	2.6
71.01250	28.7
71.51106	1.7
72.99169	3.0
73.02819	5.0
75.00751	0.9
78.95727	0.8
81.03322	2.1
83.01253	3.0
83.04888	3.3
85.02415	0.9
85.02826	8.4
87.00748	8.4
89.02315	20.7
95.01247	2.2
95.04869	0.8
96.95875	0.9
97.02823	5.0
97.06439	1.3
97.33754	0.9
99.00761	1.6
101.02321	17.9
109.06481	2.4
111.04362	1.0
111.08022	1.5
113.02324	9.0
119.03381	4.3
125.02341	7.3
133.06438	1.2
135.07986	0.8
135.11777	0.8
137.09624	1.4
143.03412	1.7
150.96962	0.8
161.04448	3.6
167.14459	0.8
175.02322	0.9
179.05534	7.1
185.71930	0.7
211.13379	1.9
213.14894	1.1
217.07083	0.9
221.06607	3.4
231.17429	1.3
235.08145	2.9
239.16478	2.2
241.18098	1.5
247.13510	1.2
249.14999	0.9
263.07562	2.2
265.17914	0.9
267.19464	1.0
271.20706	1.4
275.16473	2.1
293.21133	1.3
309.20807	0.9
315.26904	2.5
317.25058	0.9
317.28500	1.7
325.25186	5.9
341.24625	2.7
343.26483	5.6
351.23178	1.5
352.23709	0.8
359.26044	4.5
361.27441	3.4
369.24423	8.7
370.24570	1.2
377.27234	1.2
387.25375	18.8
388.25775	2.4
392.16232	0.9
397.13495	11.1
405.26419	39.3
406.26697	4.9
479.30115	1.9
506.56088	0.9
522.27307	1.0
531.90527	0.8
581.76300	1.0
623.34357	1.6
699.68384	1.0
757.39990	1.5
767.38397	1.4
785.39575	100.0
786.39850	25.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.1724
Annotation	Unknow
Peak:m/z	Relative Intensity
56.95663	0.2
59.39225	0.2
61.98677	0.2
66.00980	0.2
71.51227	0.3
77.03849	0.3
91.01772	0.5
108.90076	0.5
120.02066	0.6
121.02842	100.0
122.03184	3.7
136.01529	0.7
165.01855	2.5
178.58102	0.2
180.05733	0.5
181.05025	0.4
181.06497	2.6
191.03406	2.4
197.05933	0.3
209.04489	65.7
210.04829	3.7
225.05537	2.6
226.05672	0.3
265.11804	0.2
313.07141	4.2
314.07437	0.4
357.06033	1.7
401.08728	10.9
402.09177	1.3
422.36060	0.3
549.10944	0.5
575.11865	0.4
741.14502	0.3
785.17145	0.9
786.17389	0.4
811.28430	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.3082
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	0.5
57.03319	0.5
58.00452	0.7
59.01247	14.2
61.98700	2.6
62.57680	0.5
65.00195	0.4
65.59927	0.5
67.01781	0.5
70.37554	1.8
71.01253	20.3
72.99180	2.5
73.02813	1.9
75.00755	0.9
83.01270	4.3
84.02036	1.4
85.02817	3.5
87.00749	34.8
89.02314	2.6
96.95893	0.6
97.02808	0.5
98.20077	1.1
99.00741	1.4
101.02320	3.1
107.01252	0.6
108.02020	0.7
111.00746	4.0
112.98698	0.8
113.02333	2.0
115.00254	58.4
116.00563	1.0
119.03413	0.6
125.02344	1.0
127.00271	1.1
127.62487	0.4
139.00276	4.6
151.00262	2.3
151.02539	0.5
152.00969	1.2
157.01337	6.5
167.03394	2.0
169.51286	0.5
175.02393	100.0
176.02702	3.7
178.31868	0.5
195.06407	0.5
211.07649	0.5
223.13330	0.6
225.14818	0.9
235.17014	1.3
237.14822	0.7
239.16579	0.6
241.14415	2.9
247.13377	1.1
253.14413	1.0
253.18202	0.8
255.06604	12.3
255.16116	0.6
256.06979	1.2
261.14969	1.3
263.16632	0.6
265.14551	0.9
269.13910	0.7
281.17639	1.7
287.15005	1.4
289.14322	0.7
307.15494	0.9
397.13406	0.5
415.14813	0.6
417.11911	3.3
474.73053	0.5
563.17755	3.4
564.18146	0.8
667.28210	4.3
668.28491	1.0
681.29083	2.4
685.29291	1.4
705.29669	1.7
723.30542	5.1
724.31940	0.6
725.28510	1.4
767.29083	1.3
785.27856	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	783.2351
Annotation	Unknow
Peak:m/z	Relative Intensity
55.04601	0.7
59.01222	1.3
59.98599	0.5
63.86111	0.6
71.01260	1.1
77.03838	0.8
83.57880	0.6
101.02307	0.8
105.03348	0.8
112.45097	0.5
143.04871	1.3
145.02803	1.6
159.76624	0.6
165.01781	1.0
181.06525	1.4
195.08049	1.0
223.07556	2.3
253.05048	1.9
265.05020	3.2
266.05682	1.9
267.06613	37.6
268.06992	2.9
277.05035	1.1
279.06552	3.3
295.06091	71.3
296.06470	5.9
298.04892	2.2
301.81549	0.6
307.06073	7.8
325.07120	18.1
326.07513	2.0
337.07034	1.7
339.08734	0.9
347.04611	0.6
415.10309	100.0
416.05450	1.2
416.10629	11.6
416.43234	0.7
523.45453	0.7
662.87524	0.8
758.07819	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	783.2357
Annotation	Unknow
Peak:m/z	Relative Intensity
57.64539	1.6
59.01260	7.8
61.74070	1.4
61.98703	2.0
69.17501	5.1
69.17921	8.2
71.01254	8.8
72.99208	1.5
73.02793	2.2
78.95780	1.9
85.02814	3.4
87.00735	3.4
89.02322	2.3
101.02316	3.9
101.03521	1.3
104.63773	1.4
113.02297	2.3
115.00222	3.1
119.03378	1.7
119.63674	1.4
125.49561	1.4
129.20735	1.4
138.38577	1.4
140.43195	1.5
142.99773	2.5
143.04764	1.8
145.02841	2.7
149.02304	1.5
155.37012	1.4
174.01617	4.1
175.02388	5.5
211.13361	8.1
223.07549	2.9
237.05457	1.7
239.07208	1.5
253.04967	3.6
265.04956	4.3
266.05820	2.5
267.06628	54.5
268.06952	2.5
277.05096	2.3
279.06570	3.9
295.06107	89.6
296.06540	6.5
298.04874	2.0
307.06030	5.7
325.07169	25.0
379.08176	2.3
397.13651	8.7
415.14774	3.1
519.11053	1.7
561.16119	100.0
562.16669	14.4
577.31738	1.7
609.27563	2.2
713.16559	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	783.2502
Annotation	Unknow
Peak:m/z	Relative Intensity
57.93272	1.6
59.01245	8.2
59.08638	1.7
61.98692	5.0
71.01247	6.0
71.49456	2.9
73.02813	3.4
101.02332	3.6
108.02049	5.6
113.02268	2.1
121.02801	2.1
138.25600	1.8
150.03104	4.4
165.05470	2.7
195.06512	3.1
251.03365	1.7
261.05566	2.8
263.07047	1.7
276.07721	1.6
277.04950	4.1
280.07349	1.6
289.05060	2.7
290.05887	1.9
293.08221	2.5
294.08932	3.7
303.06647	1.9
305.08139	2.8
306.08835	2.0
308.06940	3.3
322.08414	7.4
323.09164	17.8
324.09445	1.8
337.10880	13.7
338.11588	8.5
351.08752	3.2
366.11105	5.3
381.13449	15.1
418.26523	1.7
439.11755	4.8
441.13657	2.5
456.15671	2.9
457.12701	8.8
469.12723	5.1
470.13068	2.3
472.15073	7.3
487.17670	42.7
488.18002	5.6
499.17667	19.9
500.17654	2.4
517.18622	100.0
518.19171	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	781.4376
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	10.7
61.98696	2.4
71.01251	5.5
71.51719	1.1
73.02812	1.5
78.95759	2.0
79.95606	1.7
80.96382	7.5
85.02776	1.3
85.60199	0.8
87.00759	1.8
89.02322	1.0
90.78947	0.9
94.97937	1.8
96.95887	4.8
97.02814	3.4
97.94348	1.1
98.95454	2.6
99.00756	8.2
101.02329	1.4
113.02308	1.3
116.92731	1.0
125.09563	2.1
142.02599	1.5
163.11160	3.3
164.98587	1.4
181.12259	7.8
183.82397	0.8
207.10196	24.2
225.00697	1.8
225.11258	48.9
226.11566	3.0
235.08113	2.5
243.12294	6.0
253.09109	4.4
277.21701	100.0
278.22021	11.2
443.18976	3.6
444.19571	1.1
454.15115	0.9
461.20093	6.1
513.30939	1.1
610.44824	1.1
721.41656	21.0
722.41693	3.9
781.40356	11.0
782.40533	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	782.251
Annotation	Unknow
Peak:m/z	Relative Intensity
55.50517	0.4
57.03336	0.5
58.00448	0.5
59.01248	100.0
60.01579	1.0
60.85547	0.4
64.08965	0.4
69.03332	1.1
71.01251	11.1
71.50326	0.7
72.99171	0.7
73.02832	1.5
83.01260	1.5
85.00922	0.4
85.02824	3.3
89.02312	10.4
96.01501	0.5
97.02880	0.7
99.00755	1.1
101.02315	5.2
113.02329	2.7
125.02306	2.5
131.03407	3.2
139.03871	0.5
149.04469	8.0
159.02969	0.5
161.04453	1.3
269.10211	3.3
293.08759	11.6
311.11426	4.5
362.67621	0.5
366.12521	1.4
400.11166	1.2
426.14075	4.0
599.86963	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.3076
Annotation	Unknow
Peak:m/z	Relative Intensity
56.32357	2.1
61.98699	4.0
70.77734	2.0
71.51372	1.8
76.04000	2.1
77.07211	2.3
93.03315	4.0
121.02848	10.8
122.03641	15.0
133.02803	2.2
136.01582	3.9
137.02344	8.3
147.04407	5.2
149.02373	30.6
149.05980	3.3
150.03143	83.8
151.03770	6.9
158.03665	5.7
159.04465	10.2
160.05220	31.4
161.06024	12.6
162.03088	2.3
163.03999	10.8
164.04700	17.6
165.01852	33.0
165.05486	85.7
166.02570	3.3
166.05856	2.4
173.06017	5.7
175.03761	2.3
175.07581	32.0
176.07886	2.9
177.05486	9.0
178.06262	7.1
179.03444	6.3
179.07076	4.7
180.04225	25.3
181.04956	6.2
193.08635	4.2
194.05838	5.2
195.06567	91.4
196.07011	2.8
205.05035	3.5
209.04393	2.3
209.08109	3.2
225.07607	15.0
268.69901	2.4
281.52359	2.5
327.11935	2.8
329.10013	4.9
329.13950	100.0
330.14197	7.0
343.11859	6.4
345.13406	2.9
358.10477	2.5
373.08545	3.9
373.12924	53.1
374.13031	3.5
403.13879	7.8
421.15118	24.7
422.15741	2.7
457.87256	2.1
459.67786	2.4
473.40829	2.9
492.17593	3.7
507.20291	33.5
508.20752	4.9
555.22327	13.4
556.22510	3.4
585.23566	3.8
653.69452	2.8
703.27692	9.9
724.37677	2.5
733.28632	5.0
751.29877	3.9
785.59406	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	781.3078
Annotation	Unknow
Peak:m/z	Relative Intensity
59.43861	1.5
61.98689	5.3
83.02372	5.7
87.06016	1.7
93.03317	4.0
102.25600	1.9
108.02054	2.3
109.02834	2.6
121.02857	8.9
122.03652	12.2
133.02841	3.7
134.03606	5.7
135.04399	3.0
136.01544	5.8
137.02383	3.8
145.02878	3.2
146.03647	12.2
147.04478	4.7
149.02347	32.7
149.05939	3.5
150.03130	100.0
151.03935	14.5
160.05177	5.8
161.05986	7.8
163.03909	6.5
164.04698	19.4
165.01831	8.3
165.05482	91.9
166.05827	7.3
175.03835	2.4
175.07535	4.0
177.05469	8.1
179.03444	5.4
179.07045	26.6
180.04176	13.6
181.04889	2.7
190.06268	2.6
191.07104	2.9
192.04295	1.8
194.05827	3.5
195.06561	65.9
196.06920	5.4
207.06664	4.3
209.08119	4.1
210.05316	2.2
210.08470	2.3
211.13370	2.1
225.07639	6.1
227.39973	2.0
270.08670	2.4
299.08731	2.6
301.10440	2.2
313.10693	2.7
325.10312	2.7
327.12198	2.6
329.13898	17.6
340.08859	2.3
340.12711	2.9
341.09631	2.3
342.10980	2.5
343.11768	12.0
344.12140	7.6
345.12515	5.2
357.13242	4.2
358.13736	6.6
359.14774	8.0
370.13690	3.5
373.12820	8.0
380.85544	1.9
389.16269	2.1
507.20303	14.7
508.20627	3.0
537.21344	16.9
538.21326	4.3
545.29919	1.8
553.20190	2.6
555.22766	2.6
585.23285	5.2
591.22461	3.0
670.98706	1.9
685.26343	10.0
686.27075	2.2
715.27411	6.8
733.28076	5.0
763.29901	3.2
781.31238	3.0
782.29236	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	779.2924
Annotation	Unknow
Peak:m/z	Relative Intensity
55.28553	1.5
56.29567	1.6
69.89915	1.5
71.00323	1.6
71.49600	2.4
93.03333	3.0
108.02061	3.0
114.72989	1.7
121.02809	5.0
122.03608	11.9
123.00739	2.1
133.02820	2.5
136.01520	2.1
146.03630	5.4
149.02348	29.2
150.03122	69.9
151.03674	1.8
153.05461	2.0
160.01569	2.6
161.02327	3.3
162.03163	2.9
164.01436	1.5
164.04735	11.0
165.01804	3.1
165.05481	68.3
166.05733	3.8
175.03923	4.3
176.04527	1.6
177.05392	9.9
179.03430	4.2
179.07126	8.2
180.04175	4.2
181.13098	1.6
192.07805	1.8
195.06546	45.3
196.06818	2.7
203.06946	1.9
203.23810	1.7
209.08067	3.8
220.07295	5.6
222.05188	2.7
223.07524	1.8
225.05490	2.3
238.06197	3.2
239.07059	2.4
240.04138	2.4
240.07851	2.5
243.06499	2.1
250.06129	2.6
253.08704	2.3
255.06586	5.4
256.07358	3.6
262.06244	2.4
265.04974	2.0
266.05783	2.6
267.06470	3.4
268.07407	9.7
270.08908	3.9
271.09741	6.5
277.05289	2.4
278.05829	2.2
279.06497	3.7
280.07224	3.5
283.06097	4.7
283.09714	8.8
284.06680	4.2
293.07947	3.0
294.05225	3.3
294.08783	3.1
295.06055	4.6
296.06815	6.9
297.07532	4.4
298.08206	4.0
299.09183	6.4
301.10565	4.3
307.05811	1.9
308.07101	8.7
308.10217	2.6
309.07693	13.2
310.08319	2.3
311.05563	6.9
311.09167	9.3
312.06421	11.1
312.09705	2.8
313.07166	2.9
313.10709	10.2
322.08411	4.6
323.09235	18.1
324.06250	4.9
324.09940	15.7
325.07178	3.1
325.10715	4.9
326.07861	10.6
326.11371	3.4
327.08664	28.2
327.12228	3.9
328.09192	3.5
337.10843	3.2
338.11520	8.1
339.08621	42.6
339.12405	13.1
340.08899	4.0
341.10300	18.6
342.11029	33.8
343.11813	42.4
344.12106	4.9
354.10999	13.2
355.11832	4.1
356.12711	12.1
357.13416	90.0
358.13712	12.6
369.13394	100.0
370.13724	13.3
373.12711	2.6
387.14658	3.6
391.13858	7.3
513.14362	1.9
521.18024	2.2
535.19928	1.9
553.82745	2.3
569.91681	1.8
583.21252	1.9
671.24860	5.2
683.24866	6.6
701.25854	6.1
713.26483	3.0
731.27130	21.2
732.27081	6.6
761.28082	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	779.2918
Annotation	Unknow
Peak:m/z	Relative Intensity
63.52282	0.7
68.19937	0.7
68.75346	0.7
69.20670	7.4
75.00720	0.8
88.44314	0.9
93.03329	3.5
121.02822	6.4
122.03612	13.1
124.01480	1.0
132.02043	1.5
133.02783	1.2
136.01546	2.9
137.02313	1.7
145.02824	1.0
146.03667	2.0
149.02333	25.2
150.03125	86.9
150.77332	0.9
151.03554	3.8
160.01559	3.1
161.02333	2.0
162.03224	1.1
163.03915	2.3
164.04698	8.9
165.05478	76.7
166.05832	3.7
175.03934	3.9
177.05489	2.8
179.03502	1.5
179.07092	5.0
180.04185	5.9
190.06300	2.2
194.05788	1.0
195.06555	51.4
196.06970	1.7
203.07048	1.8
209.08134	2.2
222.05225	3.1
225.05557	1.4
225.07516	1.2
237.05464	1.6
238.06235	1.7
240.04393	0.9
240.07875	3.7
241.04980	0.9
243.06601	2.0
244.07324	0.9
244.42288	0.8
250.06334	1.3
251.06993	2.1
253.04990	0.9
253.08769	1.4
255.06558	1.3
255.10329	2.2
256.07239	1.7
265.05051	1.5
266.05746	1.6
267.06638	3.3
268.07404	9.9
269.08005	1.8
270.08923	1.3
271.09787	1.5
277.05087	1.2
278.05850	1.1
279.06549	2.4
280.07401	4.1
281.08002	2.0
283.06067	2.5
283.09769	8.3
284.06815	2.8
284.09970	1.3
285.07593	1.1
291.06717	1.6
293.08145	1.5
294.05246	2.1
294.08807	1.7
295.06363	1.9
296.06964	5.0
297.07721	4.2
298.08435	3.2
299.09161	4.4
307.05862	0.9
308.06931	6.8
309.07642	9.2
309.10898	1.4
310.08246	2.4
311.05603	3.2
311.09283	4.9
312.06403	9.6
312.09821	2.2
313.07123	1.5
313.10757	6.4
322.08493	4.2
323.09186	14.3
324.06363	5.9
324.09955	10.5
325.07199	1.9
325.10785	3.4
326.07999	5.6
326.11438	2.4
327.08710	28.3
327.12173	2.3
328.09222	3.0
337.10782	1.8
338.11646	5.1
339.08701	45.5
339.12424	10.1
340.09235	5.4
341.10251	6.7
342.06854	1.5
342.11047	31.2
343.11780	28.9
344.12106	2.0
354.11038	14.5
355.11789	5.1
356.12625	3.3
357.13416	94.0
358.13779	9.3
369.13397	100.0
370.13657	9.3
373.12842	2.3
391.13910	3.7
436.74966	0.9
455.41064	0.9
505.18488	1.9
517.18945	1.8
535.19720	21.1
536.19965	3.4
551.19037	0.9
553.20532	1.2
565.21320	1.1
583.21765	6.6
584.22375	1.1
671.24646	2.0
683.25110	3.3
701.26050	3.4
731.27203	8.1
732.26703	1.3
774.02551	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	779.2915
Annotation	Unknow
Peak:m/z	Relative Intensity
58.04682	2.4
61.48294	2.0
61.98487	1.7
61.98700	18.3
69.19553	12.1
69.19978	9.7
93.03360	4.2
109.02832	2.9
121.02845	8.0
122.03627	14.9
123.00786	2.6
135.04413	3.7
136.01550	22.0
137.02277	4.2
149.02351	32.1
150.03139	100.0
151.00279	4.6
151.03938	23.2
154.51753	2.1
162.03188	2.5
164.04674	6.6
165.05486	92.9
166.02644	15.8
166.05750	6.2
175.03880	4.1
177.05428	2.7
179.03435	3.5
179.07030	2.0
180.04193	6.0
181.04984	19.8
187.03740	2.1
187.37238	2.1
194.05653	2.9
195.06570	65.3
196.06841	3.4
209.08104	5.3
240.07825	2.5
255.06607	3.4
270.08984	3.3
271.09702	8.6
301.10770	3.3
313.10764	3.3
322.08035	2.1
337.51703	2.5
342.10748	3.0
343.11761	22.3
344.12445	2.7
355.06036	2.2
355.11475	3.4
356.12418	2.7
357.09488	4.4
357.13303	14.7
367.11795	3.4
368.12109	2.9
372.12167	2.7
373.12854	7.9
387.14468	39.5
388.14841	3.8
391.13953	4.0
413.14114	2.3
535.19617	15.8
536.20135	3.5
583.21710	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	778.2771
Annotation	Unknow
Peak:m/z	Relative Intensity
54.30622	0.7
58.00458	0.8
59.01250	100.0
59.23664	0.7
60.01593	1.3
71.01252	10.2
71.49687	1.0
73.02824	2.7
83.01276	2.0
85.02826	4.1
87.86370	0.7
89.02316	7.0
99.00755	1.4
101.02311	11.5
102.34634	0.9
102.72932	0.7
113.02330	5.3
118.02882	1.9
119.03350	3.5
125.02361	2.0
131.03587	2.0
143.03381	1.3
144.04456	3.8
146.02382	11.5
146.06004	7.0
159.02921	0.9
161.04478	3.5
175.89954	0.7
179.05516	4.1
182.06105	0.8
184.07716	0.9
188.07137	2.8
221.06659	1.5
235.11829	18.1
236.12279	0.9
263.07648	0.9
277.12894	10.1
322.09296	52.7
323.09811	16.8
456.15021	3.8
505.58713	0.7
507.68381	0.8
624.58887	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.2406
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	3.0
60.31433	0.4
61.98690	2.0
71.01241	1.1
71.46142	0.4
79.01777	0.6
83.01247	1.0
92.12222	0.4
101.02309	1.2
104.72707	0.5
109.02830	2.0
117.03300	0.5
119.03358	0.6
119.04887	0.9
121.02833	1.1
125.02321	0.9
133.02843	10.0
135.04430	1.1
147.04388	0.6
149.02335	1.7
150.03014	0.5
151.03897	0.6
157.22446	0.5
161.02345	1.0
161.04382	0.5
163.00262	1.7
163.03952	2.7
164.00970	0.6
165.01836	1.8
173.02342	0.6
175.03923	2.8
177.01912	1.1
179.03296	0.5
191.03410	2.0
193.01410	2.1
193.03036	0.5
199.03960	0.8
201.01878	1.3
212.04803	0.8
213.05579	0.8
225.05486	1.3
226.05931	0.4
227.03462	0.7
237.05487	0.7
240.04239	0.5
241.04967	1.0
253.05176	0.7
255.03043	0.6
255.06578	1.1
259.82208	0.4
269.04514	1.0
284.03232	8.4
285.03992	6.9
286.04504	0.7
297.04031	13.2
298.04770	9.3
299.05573	16.2
300.05746	1.4
309.04007	0.7
311.05652	2.3
327.05090	87.6
328.05469	9.0
339.05127	2.8
341.06757	0.9
357.06183	16.4
358.06534	1.5
369.06296	0.9
395.07764	0.6
431.09821	100.0
432.10178	13.6
682.18738	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.2767
Annotation	Unknow
Peak:m/z	Relative Intensity
56.48186	1.1
59.01252	6.8
61.98721	5.9
68.54259	1.3
69.52982	6.2
71.01267	6.0
72.99146	1.9
73.02794	2.1
73.72723	1.2
75.00709	1.8
85.02818	2.5
87.00727	2.4
87.04338	2.6
88.98679	2.0
89.02271	2.1
93.03319	2.9
96.45110	1.3
96.95876	7.6
100.93221	1.2
101.02328	2.8
107.04908	48.5
108.05238	1.6
109.02843	2.5
115.00252	1.8
116.92772	1.6
120.99481	1.6
121.02843	20.8
121.38568	1.3
122.03632	26.3
124.01543	3.9
133.02858	1.3
137.02335	6.4
137.09581	4.1
149.02339	2.1
150.03090	5.5
151.03902	4.2
153.01907	1.3
154.02628	6.6
155.10674	23.8
161.04512	1.4
165.05428	3.1
171.10144	3.4
174.01689	3.0
175.02339	4.0
175.03775	1.4
179.03223	1.7
182.02118	5.4
195.06512	2.1
199.09705	7.1
221.07300	1.2
227.07018	2.4
227.12849	2.5
229.08644	66.3
230.08986	4.1
255.06645	2.1
273.07693	40.4
274.08020	2.8
387.14203	1.4
463.17245	1.7
531.27496	2.7
602.71362	1.6
617.22205	2.2
755.06213	1.6
756.62579	1.3
779.27533	100.0
780.27856	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	777.2763
Annotation	Unknow
Peak:m/z	Relative Intensity
56.69659	1.0
61.98685	1.6
62.38229	1.2
71.50726	1.6
83.25184	1.2
84.76734	1.4
96.95872	7.3
96.96861	1.8
121.02853	3.2
122.03619	4.1
123.00753	1.5
133.55975	1.1
134.03662	2.3
143.84659	1.1
147.04466	2.2
149.02319	9.4
150.01962	2.3
150.03116	31.0
151.03717	2.2
162.03102	5.1
163.03883	1.2
164.04741	3.1
165.05487	26.1
165.46977	1.1
166.02606	2.0
175.03920	10.7
176.04530	1.6
177.01880	3.6
177.05479	5.2
179.03377	1.5
179.07065	4.0
180.04164	2.8
190.06238	3.2
192.04169	4.7
193.04984	4.9
195.06540	13.9
207.06544	7.9
209.08151	1.4
210.06752	2.2
218.05794	2.2
222.05255	5.1
237.05443	2.3
237.59846	1.3
238.06104	1.9
241.05006	2.6
253.05051	2.5
254.05739	1.9
257.04520	1.2
265.05084	2.4
266.05798	7.1
269.08231	1.3
277.05225	1.8
278.05838	12.0
279.06412	3.7
280.07043	1.3
281.04520	3.9
281.08142	4.3
282.05231	2.9
282.44031	1.3
283.05841	1.6
291.06573	2.7
291.84097	1.2
292.07239	1.5
293.08640	1.3
294.05389	4.1
295.05991	1.9
296.06866	2.0
297.07660	4.2
298.08618	2.0
305.04367	2.0
306.05356	11.0
307.06058	10.0
309.04013	5.5
309.07477	2.4
310.04843	6.0
310.08099	1.5
313.10559	1.3
320.06735	4.4
321.07666	37.2
322.04901	3.0
322.08292	11.5
324.06586	6.8
324.09790	2.4
325.07147	28.9
325.10822	2.7
326.07861	2.5
335.09119	3.3
336.10040	12.9
337.07159	31.1
337.10712	4.5
338.07620	2.8
339.08691	17.7
340.09406	25.7
341.09930	4.3
343.11758	1.5
352.09595	7.2
353.09961	2.5
354.11044	9.7
355.07495	2.9
355.11871	59.3
356.12085	5.0
367.11835	100.0
368.12173	9.0
370.10486	2.7
373.13034	1.6
385.12793	5.2
403.13025	1.4
490.85901	1.3
503.17087	1.6
533.18018	4.6
551.19220	5.0
581.20428	9.5
699.24139	14.7
700.24426	2.0
706.25232	1.3
717.52612	1.6
729.25275	3.9
747.26129	2.9
777.27466	6.9
778.27771	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	775.4677
Annotation	Unknow
Peak:m/z	Relative Intensity
58.12115	0.1
59.01236	0.3
61.98690	0.4
67.54085	0.1
78.95772	21.1
79.95608	2.6
81.03336	0.2
83.02383	0.9
83.04887	0.3
84.01875	0.2
96.00781	0.2
96.01916	0.2
96.95891	100.0
96.96828	35.8
97.00292	0.4
97.03920	0.2
97.95792	0.3
98.02352	4.9
98.03387	0.8
98.20666	0.3
99.01896	0.2
111.00751	0.2
120.37065	0.1
135.04443	0.2
146.32068	0.1
150.03119	0.3
163.03886	0.3
165.05434	0.3
191.01921	0.5
195.06490	0.2
207.02916	0.6
218.34946	0.1
225.16145	0.3
271.09756	0.2
337.58231	0.1
450.34613	0.3
523.19690	0.5
559.39886	0.3
677.50012	0.3
716.50769	2.4
775.46765	0.9
776.47852	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.5321
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98700	100.0
62.16228	0.3
62.98404	0.4
67.56777	0.3
98.20670	0.7
113.02860	0.4
121.70686	0.3
141.26550	0.3
464.92950	0.4
607.42242	0.4
654.61621	0.4
731.34888	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.2005
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01744	1.1
59.01248	100.0
68.01289	2.1
69.03329	1.4
71.01256	36.7
72.01587	1.2
72.99160	1.8
73.02818	48.8
75.00738	6.3
83.01250	15.4
85.02827	4.5
87.00758	11.7
89.02320	6.5
93.03329	2.1
95.01269	2.9
97.02842	1.7
98.20557	3.4
99.00760	4.1
101.02319	43.0
103.00259	3.6
107.04829	1.1
110.02384	1.2
113.02333	20.1
116.04976	1.3
116.67411	1.0
119.03384	8.1
119.04891	1.0
121.02837	58.9
122.03178	3.1
125.02312	2.4
131.03391	7.5
132.04454	7.2
135.04422	2.4
141.01790	4.9
143.03389	8.9
144.04359	1.5
146.02393	5.9
147.03317	1.1
147.04390	5.4
148.03952	9.7
149.04463	15.0
155.03430	1.8
158.06021	1.9
161.04456	27.8
163.03911	4.1
168.04460	1.3
172.04016	2.2
174.05565	1.7
175.03943	1.7
186.05473	1.6
189.05528	1.8
190.04964	1.8
201.03984	6.2
202.04831	1.3
203.05469	5.6
218.05997	1.1
219.04962	1.2
221.06583	18.3
222.06989	1.6
230.06641	4.4
245.07137	3.5
262.84308	1.0
292.08292	16.0
310.09155	5.1
336.10831	1.5
352.10361	32.6
353.10672	2.1
382.82516	1.0
599.99658	1.1
776.80103	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	775.4688
Annotation	Unknow
Peak:m/z	Relative Intensity
58.65117	0.2
59.01255	0.2
61.98692	0.4
71.48543	0.4
77.52255	0.2
78.95773	31.2
79.95607	2.8
83.02392	0.9
83.04917	0.4
96.00797	0.4
96.95893	100.0
96.96831	47.0
97.00307	0.4
97.03919	0.3
97.95814	0.4
98.02353	5.1
98.03474	0.5
98.95473	0.2
99.01876	0.3
102.37071	0.2
111.00725	0.4
135.04375	0.2
148.74176	0.2
149.26408	0.2
150.03082	0.4
163.03943	0.4
165.01938	0.3
165.05479	0.6
165.99232	0.2
175.63838	0.2
180.04088	0.2
191.01852	0.2
195.06514	0.5
206.09691	0.2
207.02974	0.8
225.16051	0.3
248.74896	0.2
301.10791	0.2
337.63370	0.2
439.93326	0.3
523.19867	0.3
613.19971	0.2
677.50098	0.4
716.50610	2.4
775.47681	1.2
776.48987	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	774.2824
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01776	0.5
58.00465	0.7
59.01250	100.0
60.01586	1.3
66.03220	0.5
66.29411	0.4
69.03326	1.3
71.00851	0.9
71.01254	19.3
71.50984	0.5
72.01589	0.4
72.99191	1.2
73.02816	16.6
83.01251	5.8
85.02820	4.0
87.00760	1.0
89.02315	13.4
89.02836	0.8
95.01285	1.5
97.02848	1.0
99.00744	0.8
101.02322	22.9
102.02662	0.7
103.03905	2.7
104.73212	0.5
113.02325	8.0
113.03065	0.6
119.03382	6.6
119.04150	0.6
125.02346	4.3
126.18501	0.4
127.03937	0.6
131.03394	2.2
143.03394	3.1
145.05019	0.8
149.04466	5.4
155.03444	0.7
161.04462	9.9
163.06021	6.0
171.83382	0.5
179.05582	1.8
203.05545	1.2
221.06599	4.5
247.08231	1.0
247.11880	1.1
270.13452	0.4
273.38678	0.4
288.18781	0.4
289.09702	0.5
289.12979	1.8
307.10352	10.5
308.10812	0.7
333.15903	0.8
440.15891	1.1
527.39130	0.6
700.39966	0.5
749.89734	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.2817
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01743	2.3
57.03328	6.2
58.00459	4.7
59.01247	100.0
60.01572	1.3
61.98695	1.6
63.88296	1.0
69.43224	8.5
71.01252	82.8
72.99174	8.4
73.02811	2.6
74.32923	1.2
75.00752	1.5
83.01245	4.9
85.02816	30.0
85.13726	0.9
87.00311	1.0
87.00744	6.8
87.71817	1.1
89.02314	87.4
95.01251	4.4
96.95872	3.2
101.02317	46.9
102.02677	1.0
111.00771	8.8
113.02327	28.5
115.00215	1.2
119.03387	37.5
129.01834	7.5
131.03380	4.9
133.02864	1.6
135.04411	1.4
136.01566	1.9
137.02344	11.3
139.00192	1.2
143.03381	7.6
149.02281	1.3
149.04417	4.1
150.03130	2.0
151.03854	1.9
155.10667	1.3
161.02296	1.4
161.04482	6.5
164.01047	2.4
164.04686	2.4
165.01842	54.2
165.05411	1.7
166.02193	1.7
175.02402	2.6
179.03427	11.8
179.05560	11.9
179.07004	2.4
180.04192	31.2
180.05753	1.5
181.01295	1.1
192.01505	1.1
194.05714	2.5
195.02902	1.3
195.06546	36.6
196.06995	1.4
205.03436	13.5
210.05240	5.6
223.04538	45.1
224.04904	1.4
225.05466	1.7
225.07646	33.0
226.08011	2.0
268.07574	2.4
270.72360	1.2
280.07257	1.4
281.08194	1.4
283.09775	2.2
285.04001	2.0
293.08261	1.1
293.12097	1.2
296.06888	2.6
297.03854	1.6
308.06842	2.6
309.07645	2.1
311.09012	2.8
322.08301	2.0
323.09210	6.9
324.06253	1.8
324.09805	2.4
327.05112	1.8
338.11493	1.9
339.08670	17.5
340.09210	2.2
343.04639	2.1
345.11780	4.1
354.11148	7.3
355.04675	1.4
362.57394	1.2
369.13391	43.1
370.13754	4.2
517.14404	1.6
547.19562	14.4
548.20178	3.2
599.25293	1.4
613.23358	2.3
756.76471	1.2
775.28027	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	773.3971
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	1.5
59.01251	20.1
59.84310	0.8
61.98699	6.7
68.21086	0.8
71.01251	14.6
71.50021	1.2
72.99162	1.2
73.02821	3.9
74.98983	0.8
78.95746	1.1
83.04910	0.9
85.02824	2.3
86.98981	1.7
87.00732	5.4
87.04382	1.7
89.02318	90.7
90.02672	1.4
96.95897	6.2
101.02308	5.1
111.04402	0.8
113.02324	4.4
114.93353	0.9
115.00262	1.2
116.92754	2.2
137.05949	1.8
149.05974	2.7
150.06773	26.4
151.07504	1.8
158.48016	0.9
161.04417	1.1
162.06744	2.7
163.07561	7.9
164.08287	2.9
175.02435	0.9
176.08302	1.2
177.09106	2.7
178.09906	1.7
179.05446	0.7
179.07031	1.0
179.10689	7.0
211.13367	0.9
253.09389	0.9
368.39374	0.8
376.26205	3.1
390.27713	4.6
391.28537	13.0
391.33173	1.6
392.28983	1.3
399.15082	0.9
402.27945	1.1
416.29083	1.7
417.30072	3.3
448.31464	0.9
507.33398	1.2
524.33441	1.2
525.34064	2.5
651.37927	1.0
669.38782	3.6
687.39185	3.9
711.39185	2.0
729.40649	100.0
730.41058	23.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.328
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	0.3
61.98694	0.4
66.82723	0.1
70.62389	0.2
70.62754	0.5
71.01241	0.5
75.00745	0.2
78.95775	10.7
79.95613	2.7
89.02298	0.2
94.92350	0.2
96.95888	100.0
96.96800	13.4
97.95827	0.3
98.02330	0.3
101.02332	0.3
105.82988	0.2
118.96511	0.2
171.10185	0.2
215.84685	0.1
237.75629	0.2
277.21716	0.6
310.68896	0.2
361.04694	0.3
397.13663	0.5
415.14499	0.2
435.08078	0.4
453.09146	0.6
599.82532	0.2
713.30945	0.7
737.41168	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.3266
Annotation	Unknow
Peak:m/z	Relative Intensity
53.89626	0.2
54.83374	0.2
59.01241	0.4
59.15817	0.2
61.98693	0.7
69.65949	0.5
69.66380	0.7
71.01255	0.3
78.95771	12.9
79.95606	2.8
87.57047	0.2
92.01911	0.2
94.97973	0.3
96.00787	0.2
96.95886	100.0
96.96805	15.6
97.02788	0.2
97.95836	0.3
98.02366	0.9
161.87262	0.2
188.49158	0.2
277.21881	0.3
397.13098	0.3
435.08084	0.3
453.09308	0.5
463.75421	0.2
597.44196	0.2
713.31079	0.4
773.43616	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.1987
Annotation	Quercetin 3-glucosyl-(1->3)-rhamnosyl-(1->6)-galactoside
Peak:m/z	Relative Intensity
58.02838	1.4
65.00203	2.9
69.37191	3.6
69.37613	5.6
71.01243	1.3
72.99187	1.0
74.02343	4.1
75.11962	1.0
81.36661	1.0
83.01253	1.6
85.02847	1.0
86.02330	1.4
88.78862	1.0
95.71796	1.1
98.19849	2.0
99.05490	3.7
101.02295	1.3
107.01269	4.3
121.02832	4.1
124.13992	1.0
125.02354	1.2
128.03433	8.4
137.96629	1.0
143.04520	12.2
144.04858	1.8
149.02353	1.5
150.99155	1.6
151.00272	24.2
160.00624	3.6
163.00259	1.5
167.04625	1.2
169.01266	2.0
177.03253	1.6
178.99786	11.4
179.04565	2.2
209.11870	1.1
210.08768	3.1
226.02769	1.7
227.03409	2.1
229.04964	1.3
243.02934	6.4
245.04500	1.7
254.02153	1.6
254.07697	3.0
255.02974	21.1
271.02490	36.5
272.02921	4.2
272.08841	4.5
273.04083	2.6
273.09012	1.1
283.02539	1.4
288.06329	1.1
299.01987	3.3
300.02728	87.1
301.03494	72.2
301.07016	2.3
302.03842	5.8
306.07645	25.1
307.07904	6.4
343.04523	1.4
463.08817	9.0
480.47690	1.3
609.14581	100.0
610.14899	15.9
667.15417	1.6
739.78027	1.1
770.31012	1.1
771.19940	3.3
796.45947	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.3107
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01229	0.2
61.98688	0.5
71.01255	0.2
71.19930	0.4
73.02820	3.8
75.00732	0.6
78.95754	0.2
89.46284	0.2
99.00740	1.0
99.92458	10.1
100.92491	0.3
101.02361	0.2
114.93297	0.5
116.92743	100.0
116.97126	1.2
117.01817	7.4
117.92747	5.4
121.13295	0.2
145.70503	0.2
172.00005	0.2
215.57065	0.2
771.41724	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.3023
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03305	2.9
59.01248	30.0
61.98714	12.9
69.03295	2.2
70.71321	5.2
71.01257	22.9
73.02809	9.0
76.11592	2.0
78.95772	2.4
79.95605	3.7
80.96379	16.0
83.01245	10.0
83.04879	4.2
85.02807	10.1
87.00739	3.7
87.04391	2.3
88.98682	3.4
89.02310	10.5
93.03329	4.5
93.63305	2.3
94.98002	2.2
96.95893	9.1
97.02806	3.0
97.06409	2.8
99.00666	2.6
99.04389	2.2
101.02334	11.7
105.03351	3.1
113.02326	5.2
114.05419	2.6
115.00249	2.8
121.02818	4.9
122.03603	10.5
123.04394	2.9
125.02317	3.7
135.04405	4.7
135.08087	2.8
135.11674	15.4
139.03896	2.6
149.01270	3.1
149.02362	42.9
149.05986	2.7
150.03133	88.8
150.06758	6.9
151.03767	8.0
159.08015	3.8
159.11691	3.3
161.02373	20.0
161.04497	6.3
161.09584	11.3
163.07527	4.2
164.04666	10.3
165.05482	100.0
166.05824	3.3
175.02434	6.3
175.11183	2.9
176.04744	11.3
177.09062	2.6
177.12665	2.4
179.03432	32.9
179.07204	3.6
179.10701	98.3
180.04185	12.3
180.11024	6.0
181.04907	3.9
181.16583	2.1
185.09621	2.9
189.87947	2.6
191.07069	5.7
194.05774	30.7
195.06563	77.8
196.06898	3.7
201.12813	3.6
203.10695	7.9
205.08592	2.8
209.08142	57.1
210.08423	3.0
211.13335	2.8
223.09686	12.5
225.00670	4.1
229.08615	7.6
231.10052	3.6
237.70041	2.2
245.11856	4.0
247.09651	6.6
265.10782	2.7
289.10904	7.5
307.11911	7.2
321.27591	2.2
323.14972	4.0
327.05264	3.2
342.11005	7.3
357.06369	2.8
357.13431	38.2
358.13672	4.6
367.13965	33.7
368.14063	2.9
405.15475	9.6
563.21436	5.7
729.40826	11.9
755.31146	3.9
773.31122	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	771.1984
Annotation	Isoorientin 3',6''-di-O-glucoside
Peak:m/z	Relative Intensity
65.83490	1.3
71.36526	1.7
71.54241	1.4
91.94009	1.7
105.00598	1.6
116.97020	1.3
133.02847	5.3
134.03560	1.5
175.03780	2.0
177.01816	2.2
191.03384	2.1
296.81729	1.6
297.04086	2.4
298.04611	8.5
299.05466	5.1
311.05579	14.9
312.06390	45.5
313.06824	8.5
323.05588	3.2
327.05124	11.7
339.04984	15.2
340.05701	3.0
341.06528	5.5
344.05319	4.0
353.06680	3.6
355.04547	4.5
357.05905	3.4
367.04788	2.5
369.06079	41.2
370.06509	5.8
372.05038	2.4
381.06055	5.1
399.07114	29.8
400.07495	3.0
411.07150	4.4
429.08209	7.2
441.08383	2.2
459.09348	1.9
471.08609	1.5
475.08371	2.5
489.10205	6.7
512.66876	1.8
531.11542	5.5
561.12457	3.8
591.13623	2.2
609.14539	18.4
610.15387	2.9
651.15637	16.9
652.16278	2.5
681.16174	3.2
771.19788	100.0
772.20184	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	770.3455
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	1.1
61.98701	100.0
62.98402	0.2
71.01250	0.9
71.50313	0.3
73.02844	0.3
79.95617	0.8
80.96381	1.7
82.95948	0.2
85.02861	0.2
86.08386	0.2
94.97954	0.4
96.95942	0.9
101.02349	0.4
103.41836	0.2
113.02341	0.3
118.56036	0.2
164.98555	0.3
175.02457	0.3
225.00763	0.3
371.94513	0.2
485.89249	0.2
514.04736	0.2
745.86871	0.2
770.28992	1.8
771.31396	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	770.3446
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	0.8
61.98700	100.0
70.88139	0.1
71.01250	0.5
71.41797	0.2
71.42124	0.2
73.02827	0.2
75.66035	0.1
79.95607	0.9
80.55067	0.1
80.96384	1.5
83.01270	0.1
85.02818	0.2
87.00751	0.2
88.96891	0.1
94.97980	0.3
95.69581	0.1
96.95896	0.6
101.02358	0.3
111.00709	0.1
125.02369	0.2
133.53807	0.1
135.02843	0.1
148.99074	0.1
150.06737	0.1
164.98586	0.1
202.52574	0.1
209.11900	0.2
225.00755	0.4
242.64912	0.1
264.49622	0.1
284.03424	0.4
285.04077	0.2
299.19638	0.1
309.20752	0.2
347.97250	0.1
355.07990	0.1
361.14047	0.1
447.09109	0.5
475.26144	0.1
595.27991	0.2
596.28711	0.3
726.37451	0.2
770.29932	1.8
771.31696	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.506
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	3.1
60.99172	15.0
61.98700	27.2
72.99174	76.2
75.00742	5.3
81.03314	11.7
83.04893	34.4
88.98673	77.3
89.02309	15.4
89.99004	8.9
90.01831	10.5
90.02691	2.4
90.99091	8.5
91.00243	5.8
96.95925	1.8
100.07536	1.7
125.07084	2.4
136.01521	1.9
183.12648	1.6
207.15050	1.8
224.17668	6.8
225.16022	18.3
225.17915	2.6
226.16431	2.6
237.12852	1.5
333.22961	2.0
433.31888	2.4
450.34241	3.0
451.32669	8.4
452.33096	2.0
559.40039	3.0
595.42175	3.6
673.46924	14.5
674.46851	6.1
675.47998	27.3
676.48499	20.5
677.49628	100.0
678.49896	25.6
679.49249	2.4
691.47534	18.8
692.48108	12.2
693.48315	4.4
709.48407	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	769.3861
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01746	1.2
57.03307	2.0
59.01248	38.4
61.98697	2.9
69.03336	1.2
69.42454	5.3
71.01250	19.0
72.99169	1.9
73.02811	4.7
80.96413	0.7
83.01246	2.4
83.10140	0.7
85.02821	7.1
87.00748	6.8
88.37337	0.6
88.98640	0.8
89.02327	3.9
89.28719	0.7
95.01224	1.2
96.95899	1.3
97.02828	0.8
99.00732	2.4
101.02316	9.1
111.99728	0.7
113.02348	5.1
117.01822	0.6
119.03420	0.9
119.77991	0.7
122.55817	0.6
125.02332	3.3
137.57541	0.6
141.01826	1.1
143.03340	0.8
147.13786	0.6
150.03059	0.9
153.81004	0.6
161.04449	9.1
175.02437	1.1
179.05527	25.2
180.05824	0.9
180.76669	0.6
221.06598	3.0
311.25851	0.9
313.23758	5.0
341.26859	4.7
359.27985	27.5
360.28372	3.1
401.28879	0.8
402.90173	0.7
403.82599	0.7
446.90701	0.7
485.31024	0.9
503.32251	36.3
504.32504	6.5
521.33295	46.2
522.33569	6.4
545.33282	36.3
546.33813	4.4
563.34320	100.0
564.34717	17.4
665.37750	4.5
666.37805	0.9
683.38605	2.8
725.38757	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	769.3866
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	0.9
57.03317	0.6
58.00476	0.6
59.01251	52.4
60.01585	0.6
61.98706	10.0
65.41225	0.4
71.01256	11.5
71.05884	0.7
72.99181	1.3
73.02820	3.8
74.43036	0.4
74.92069	0.5
75.00726	0.7
78.95770	0.5
80.96387	0.4
83.01244	2.3
85.02826	5.9
87.00759	3.1
88.98676	0.9
89.02311	3.7
95.01265	1.1
96.95884	2.2
99.00771	1.1
101.02323	7.9
111.00766	0.7
111.73264	0.5
113.02332	4.4
115.00278	0.6
119.03387	0.8
125.02332	1.7
150.06734	0.6
161.04446	4.7
163.07521	0.6
179.05562	2.3
192.19330	0.5
221.06645	3.6
260.03342	0.5
313.23816	2.1
341.27097	3.2
351.39047	0.4
357.26483	0.9
359.23535	0.8
359.28024	15.2
360.28320	1.6
432.40005	0.5
443.30338	3.2
461.31345	1.7
503.32214	11.1
504.32462	1.5
519.31317	0.9
521.33295	100.0
522.33624	13.7
545.33417	2.3
562.32727	0.6
563.34277	8.9
564.34552	2.2
649.40247	0.6
665.37604	0.9
683.38391	0.6
725.38428	2.7
769.40216	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.2959
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	13.6
61.98700	47.5
63.96106	2.2
67.50685	0.8
69.03301	1.2
71.01250	11.6
71.29807	1.8
73.02799	3.3
78.95771	1.9
78.98473	7.0
79.95126	1.6
79.95604	43.8
80.96388	87.3
85.02813	5.7
87.00766	4.5
89.02315	1.1
90.23883	0.8
94.97960	20.6
96.95885	6.3
97.02826	1.8
99.00724	1.1
101.02328	4.3
106.97952	3.8
113.02325	2.6
116.92703	1.1
122.97433	3.9
125.02320	4.1
127.03857	1.2
127.21183	1.0
134.97479	5.7
136.99043	2.0
145.16042	0.8
148.99026	7.5
152.98523	7.5
161.04466	2.0
162.22810	0.8
164.98535	17.4
174.01595	2.1
175.02385	1.8
206.99712	4.5
209.11670	1.2
225.00690	30.0
241.00053	1.7
295.22687	1.3
295.83350	1.0
299.04361	5.5
315.03690	1.1
371.06403	3.9
385.07748	2.4
404.15521	0.9
427.12643	2.5
467.15536	1.1
481.17560	7.2
482.17545	1.3
521.33411	1.0
537.20013	2.9
555.57599	1.0
593.26349	3.8
594.26978	1.8
595.27863	36.2
596.28357	5.5
649.43103	1.5
707.29425	1.5
725.36450	1.1
751.28168	5.0
769.29584	100.0
770.29944	20.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	768.2355
Annotation	Unknow
Peak:m/z	Relative Intensity
56.89417	1.3
57.80225	1.3
59.01250	100.0
60.01571	2.1
69.03343	1.8
70.71689	1.4
70.72050	4.5
71.01253	36.6
73.02816	33.2
83.01260	10.9
85.02820	5.8
87.00732	1.6
89.02340	6.7
97.02822	1.6
101.02327	30.3
113.02343	15.0
116.04958	1.4
119.03369	3.8
125.02303	2.4
130.06540	1.5
131.03406	2.9
140.14653	1.4
143.03459	3.3
143.04956	2.3
145.95827	1.3
146.06026	12.7
149.04483	3.6
157.34583	1.4
161.04459	12.2
168.79292	1.3
174.80969	1.4
221.06474	3.2
223.26755	1.5
290.10339	9.3
308.11240	3.7
326.12244	1.7
335.80856	1.5
368.13519	4.2
564.89545	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.4923
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	2.9
60.99179	16.7
61.98707	0.6
63.51516	0.2
71.01260	1.5
72.99181	0.9
75.00746	0.4
83.04906	1.1
85.02854	0.4
87.00754	1.3
88.00283	4.1
88.98681	100.0
89.02316	9.1
89.99017	1.0
90.01841	0.4
94.40211	0.3
94.93272	0.2
96.95885	0.3
101.02320	0.6
113.02324	0.6
122.03677	0.4
149.02332	0.5
150.03162	1.4
155.58112	0.3
158.11444	0.3
162.05457	0.3
165.01817	0.4
165.04292	0.3
165.05498	1.6
175.02351	0.3
179.05597	0.3
191.07021	0.4
195.06543	0.6
203.05640	0.6
225.16086	0.7
343.04437	0.4
400.52213	0.3
451.32993	0.4
673.46716	0.5
675.48041	1.0
677.50049	1.9
678.49683	0.3
687.58722	0.3
689.45612	0.3
691.47351	0.8
693.71112	0.3
707.49908	0.5
767.30267	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.3705
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	1.3
58.00452	1.9
59.01246	54.2
61.98697	22.0
64.30337	0.9
69.03326	1.6
69.26884	7.9
69.27297	1.7
71.01248	24.3
71.10337	1.1
72.99211	1.5
73.02813	10.3
77.30547	1.4
78.95750	1.1
83.01260	4.9
85.02820	11.1
87.00732	8.2
89.02309	7.1
95.01260	2.3
95.57672	1.0
96.95892	2.7
97.02830	2.7
97.06465	9.2
99.00774	2.4
101.02310	18.0
111.00751	1.1
113.02327	7.6
119.03395	2.0
125.02316	3.8
161.04483	6.9
161.05688	1.2
174.01462	1.2
179.05522	11.6
184.30498	1.2
221.06551	2.1
241.17992	15.5
241.20337	1.6
242.18266	1.5
297.24393	1.2
321.24158	1.5
327.25394	5.6
339.25366	16.0
340.25720	1.5
357.26450	23.0
358.26862	2.3
423.98816	1.2
483.29971	1.6
485.20203	1.2
501.23151	1.7
501.30667	35.7
502.30957	4.7
519.31677	82.9
520.32074	9.4
543.31622	29.5
544.32227	3.4
561.32733	100.0
562.33148	12.4
681.37653	1.7
723.37976	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	767.4219
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00464	1.1
59.01250	17.4
61.98699	61.1
69.67250	6.5
71.01255	8.3
71.04876	1.8
72.99186	1.7
73.02810	5.4
79.95600	7.1
80.96381	6.4
83.01257	2.2
85.02817	1.3
85.67926	0.9
87.00742	1.7
89.02320	1.7
96.95879	3.9
97.02808	0.9
98.20567	1.3
99.00728	1.4
99.04388	1.0
101.02316	8.2
101.05959	7.7
113.02312	2.6
116.92752	1.0
125.02306	1.1
127.11763	0.9
153.42181	0.9
161.04506	1.1
174.01692	1.5
175.02406	2.1
197.11824	2.8
209.11594	1.0
225.00700	1.8
250.55742	1.0
253.82870	1.0
294.21646	1.2
309.20709	3.2
317.25781	1.2
381.27908	1.1
397.13431	2.4
399.28882	1.6
415.14349	1.2
473.36292	1.9
501.35962	15.2
502.36252	2.3
515.37494	1.4
519.36884	100.0
520.37219	17.4
561.37738	13.1
593.26141	3.7
767.27576	8.3
768.28314	1.6
786.10175	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	767.3703
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01743	1.0
57.03319	1.3
58.00481	0.7
59.01246	40.6
61.98690	3.0
69.03309	1.6
69.26771	7.2
70.82390	0.7
71.01249	17.9
71.04890	1.0
72.99174	1.5
73.02813	7.5
80.96387	1.0
81.03353	0.7
83.01234	3.4
85.02815	7.4
87.00751	7.5
89.02292	4.5
95.01271	1.3
96.95906	1.7
97.02815	2.5
99.00755	2.2
101.02317	11.6
102.02665	0.7
113.02335	4.9
119.03407	1.2
124.01471	0.8
125.02329	2.8
129.01865	0.8
153.37488	0.7
161.04463	8.8
179.05501	16.1
185.11771	2.3
199.13298	1.4
221.06577	1.7
297.24338	0.8
309.24332	1.8
313.61749	0.7
327.25302	5.6
339.25366	13.9
340.25659	1.7
349.89856	0.9
355.24857	1.2
357.26416	28.1
358.26791	1.5
381.26328	1.3
483.29404	3.7
501.30664	39.5
502.30945	6.0
519.19934	1.0
519.23773	1.5
519.31683	46.2
520.31903	6.4
543.31696	34.7
544.32129	5.0
561.32715	100.0
562.33093	15.6
663.35547	0.8
767.26520	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.3707
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01239	0.6
60.99178	17.9
69.21922	0.4
70.12009	1.2
70.20868	0.4
87.00742	1.7
88.00272	3.0
88.98676	100.0
89.02312	12.9
89.99017	0.6
99.91602	0.4
159.03331	0.4
183.45903	0.4
209.54073	0.4
397.13470	1.0
495.57037	0.5
500.34189	0.5
610.38379	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.3707
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01749	0.8
57.03318	1.7
59.01250	32.5
61.98698	5.6
67.53125	0.7
69.03313	0.9
71.01250	14.3
71.04920	0.5
72.01598	0.6
72.99172	2.2
73.02832	4.9
81.03341	0.6
83.01257	2.4
85.02823	6.6
87.00751	8.0
89.02312	3.4
95.01273	1.1
96.95901	1.4
97.02811	1.7
99.00750	2.3
101.02311	7.7
110.15293	0.6
113.02332	3.9
117.01857	1.2
119.03394	0.9
124.01499	0.9
125.02332	3.8
128.03288	0.6
139.11140	1.0
143.03444	0.7
143.15509	0.6
151.00371	0.6
159.02939	0.8
161.04456	10.0
179.05533	29.5
180.05876	1.0
185.11760	1.1
199.13385	0.6
221.06631	2.4
309.24258	0.9
311.22171	3.3
327.25525	2.8
339.25418	8.0
340.25793	1.3
341.26981	1.2
353.27338	0.8
357.26453	24.0
358.26868	3.4
383.10825	0.6
399.27585	0.8
427.33212	0.7
483.29425	1.7
501.30692	28.0
502.31097	4.9
519.31720	40.9
520.32104	7.4
543.31726	29.1
544.32166	4.6
561.32751	100.0
562.33105	16.1
663.35510	1.5
723.37848	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	767.3703
Annotation	Unknow
Peak:m/z	Relative Intensity
53.64016	0.3
53.70322	0.3
55.01744	0.6
57.03312	0.8
57.36440	0.3
58.00468	0.5
59.01251	12.9
61.98701	3.0
69.03304	0.4
71.01252	9.0
72.99170	0.9
73.02814	2.4
80.96397	0.6
82.91491	0.3
83.01249	1.3
85.02821	3.1
87.00741	1.0
89.02319	3.3
95.01255	0.8
97.15202	0.3
99.00739	0.6
101.01705	0.6
101.02325	6.8
107.76528	0.3
113.02332	3.5
117.97205	0.3
119.03384	1.1
125.02341	0.7
139.38339	0.3
143.03383	0.4
149.04495	0.5
161.04370	0.4
171.10223	0.3
185.11708	0.6
224.29033	0.4
229.26021	0.4
255.22610	0.3
276.25531	0.3
297.24457	0.5
309.24390	1.2
321.24347	0.4
327.25409	3.7
328.25650	0.4
339.25348	7.1
340.25940	0.4
357.26447	14.2
358.26996	1.8
501.30637	8.0
502.30920	1.0
519.31720	100.0
520.32050	13.2
520.40021	0.6
543.31750	0.9
561.32721	6.1
562.33063	1.0
723.37805	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.2919
Annotation	Unknow
Peak:m/z	Relative Intensity
54.20199	0.6
59.01255	1.1
69.64205	2.8
71.01250	0.7
75.30950	0.5
80.69318	0.5
88.98693	1.4
89.02341	0.7
93.03326	3.6
95.04926	0.6
96.95923	1.0
101.02338	0.7
107.38294	0.5
108.02058	1.3
113.02345	0.7
121.02843	7.1
122.03632	13.5
123.04446	1.7
124.01598	0.5
132.02029	0.6
133.02873	1.7
134.03642	1.0
135.04431	2.1
136.01563	2.4
145.02838	1.7
146.03635	40.7
147.04469	3.1
149.02344	39.7
149.06046	0.7
150.03130	93.0
151.03897	4.0
152.53491	0.6
161.05968	9.5
162.03116	1.6
162.06393	0.9
163.03914	1.7
164.04701	34.0
165.05479	100.0
166.05853	3.1
175.03972	2.8
177.05461	2.5
179.07051	50.6
180.04204	7.7
180.07408	3.0
181.04973	0.5
195.06558	63.3
196.06979	2.8
203.66113	0.5
267.06564	1.1
269.08200	1.5
270.08911	1.0
285.07388	0.8
298.08432	1.3
312.10022	3.8
313.10855	4.0
327.08807	0.9
327.12375	11.3
328.09299	1.2
328.12772	1.3
329.10193	0.8
343.11865	32.4
344.12085	2.6
370.91202	0.6
373.12979	2.2
375.14374	2.6
391.13977	13.3
392.14172	1.6
462.64966	0.6
523.19873	4.3
539.19183	12.7
540.19562	1.6
569.20508	0.6
571.21832	1.2
587.21002	1.2
696.79761	0.7
719.26593	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	767.2801
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03298	1.2
59.01249	8.8
61.98702	41.5
63.96108	2.0
69.03325	1.7
71.01258	12.9
71.50166	1.1
72.99167	1.0
73.02805	3.3
75.00735	1.5
78.95765	1.4
78.98447	4.3
78.98858	0.9
79.95119	1.6
79.95605	54.9
80.96387	71.9
85.02840	4.9
87.00748	4.5
89.02280	1.4
94.97388	1.6
94.97961	16.7
95.01276	1.2
96.95878	3.7
97.02795	2.3
99.00738	1.3
101.02303	5.6
103.40603	0.9
106.97948	4.3
115.00240	2.2
118.43660	1.0
122.97453	5.5
123.08091	0.9
125.02312	3.5
134.80983	0.8
134.97453	5.3
136.98985	2.8
138.36461	0.9
143.03333	0.9
148.99026	5.9
152.98531	8.4
161.04427	2.5
164.98546	13.3
167.00090	1.0
174.01602	4.3
175.02316	3.2
182.99524	1.7
206.99648	5.5
225.00674	24.2
233.06197	1.0
241.00159	2.9
243.01883	1.5
243.56233	1.0
293.21231	2.2
299.04431	6.1
309.20563	2.5
315.03781	1.8
340.08310	0.9
371.06390	3.9
385.07986	2.9
397.13367	1.8
399.09949	1.3
413.11084	1.6
415.14169	1.6
427.12668	2.3
441.14026	2.0
477.38678	1.0
481.17172	3.6
495.19080	1.2
519.31647	3.0
523.18170	2.2
561.32434	2.2
591.24731	5.4
592.25439	2.6
593.26349	32.7
594.26727	4.8
612.26843	1.2
645.30890	1.0
668.30231	2.1
749.26941	4.8
767.27863	100.0
768.28406	18.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.2799
Annotation	Unknow
Peak:m/z	Relative Intensity
56.43079	1.3
59.01248	15.6
61.98699	50.7
63.96117	1.9
66.72570	1.3
71.01244	15.5
71.49763	2.3
71.94417	1.3
72.64935	1.5
73.02798	3.3
78.95759	1.7
78.98454	6.8
79.95603	52.4
80.96383	82.9
85.02810	4.5
87.00732	5.2
88.98682	1.8
89.02306	2.1
94.97952	18.3
96.95896	11.2
97.02800	2.3
99.00741	4.0
101.02314	5.9
106.97942	3.3
113.02312	2.8
115.00245	1.9
122.97465	3.5
125.02320	4.5
134.97456	6.5
136.99022	3.4
148.99065	7.9
152.98499	7.7
161.04414	2.2
164.98521	14.6
174.01582	3.6
175.02385	3.8
179.05585	1.9
183.13835	1.6
197.11783	3.5
206.99634	4.2
224.98659	2.5
225.00700	25.6
241.00214	3.1
293.21127	3.4
294.21552	2.5
299.04382	5.1
309.20660	7.9
371.06430	4.5
385.07904	3.9
397.13214	3.5
415.14560	3.6
441.14285	3.2
481.17404	3.7
586.29639	2.0
591.25189	4.0
592.25403	2.4
593.26306	33.2
594.26477	4.4
705.27374	2.0
749.27118	3.4
767.27924	100.0
768.28162	18.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.2406
Annotation	Unknow
Peak:m/z	Relative Intensity
53.48075	1.7
58.00441	2.5
59.01248	79.5
60.01579	2.0
64.52223	1.8
71.01248	55.0
72.26630	1.8
72.99167	3.1
73.02821	15.4
78.83990	1.9
83.01247	6.5
85.02827	9.0
87.00731	2.8
88.98628	3.7
89.02318	54.0
95.01276	2.5
98.20594	4.0
99.55101	1.9
101.01694	3.4
101.02321	37.4
105.14159	1.7
113.02330	27.0
119.03381	20.4
124.12290	1.9
131.03386	5.1
136.01407	1.9
143.03397	9.9
149.04422	6.8
158.87556	1.9
161.04446	12.2
179.05525	28.0
195.06432	2.4
221.06502	5.0
235.07588	4.1
236.93103	1.7
253.08713	5.2
262.85135	1.9
263.07001	9.2
275.06946	2.9
281.08170	22.6
282.08353	2.2
291.06638	6.7
293.08124	6.4
294.08777	2.4
296.10391	4.9
307.09564	2.0
308.10382	5.4
309.07666	73.2
310.08090	8.2
323.09259	15.0
324.09998	44.5
325.10425	4.0
339.12354	100.0
340.12708	11.3
461.36920	1.9
527.94067	2.0
693.97571	2.1
765.66986	1.9
767.42139	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	767.2408
Annotation	Unknow
Peak:m/z	Relative Intensity
57.81903	2.2
59.01246	100.0
64.21207	1.8
71.01252	66.8
71.50898	2.5
72.01590	1.6
72.99173	5.0
73.02814	30.9
83.01249	10.6
85.02814	9.0
87.00754	5.2
89.02316	53.3
93.03334	3.3
95.01267	5.2
101.02318	41.4
103.19279	1.7
113.02323	29.2
113.35180	1.7
119.03392	20.3
121.02845	7.8
122.03612	8.4
123.04402	2.3
131.03380	4.5
133.02902	2.4
135.04376	3.9
136.01540	2.5
143.03401	8.6
145.02983	2.4
146.03633	45.6
147.04410	3.2
149.02345	55.7
149.04425	6.6
150.03128	82.1
151.03862	7.7
161.04486	10.2
161.06006	15.1
162.03128	2.3
163.03932	4.1
164.04709	59.4
165.05486	89.0
166.05875	4.3
175.03917	4.0
177.05527	3.2
179.05536	10.6
179.07033	67.8
180.04308	3.7
180.07420	2.7
181.05025	1.7
195.06543	45.8
263.80682	1.9
267.06378	2.5
270.08954	2.7
277.14868	2.0
298.08347	3.0
312.06790	2.2
312.09833	9.1
313.10657	10.1
327.12357	33.7
328.09274	2.8
328.12576	2.9
329.10031	2.1
343.11844	57.7
344.12119	5.2
373.12973	2.4
375.14429	5.5
391.13950	23.4
435.37311	2.2
523.19873	3.0
539.19202	42.4
540.19495	8.3
543.18823	9.4
544.19580	2.3
587.21155	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	766.3868
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01236	0.4
61.98698	100.0
69.42879	2.0
71.01264	0.4
74.46385	0.2
77.26316	0.3
156.90410	0.2
178.59584	0.2
207.69780	0.2
211.13263	0.2
236.08351	0.3
277.21796	0.7
278.22000	0.3
306.25507	0.3
325.23877	1.2
326.24261	0.4
399.13934	0.3
474.80481	0.2
674.30963	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.3553
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01769	1.5
55.33112	0.8
57.03320	1.4
58.00460	1.4
59.01248	35.6
61.98700	10.9
69.03342	1.3
69.29210	7.9
71.01249	18.7
71.04894	1.2
72.99187	2.0
73.02809	7.0
75.00739	1.1
78.95760	1.1
79.95628	0.9
81.03333	1.3
83.01280	4.2
85.02802	7.2
87.00746	8.1
88.98701	1.2
89.02299	4.2
96.95895	2.9
97.02840	2.1
99.00733	2.2
101.02330	8.4
108.77361	0.8
113.02334	4.6
119.03390	1.2
123.08027	1.0
125.02329	4.0
125.09586	1.4
143.03413	1.6
150.03035	1.4
153.09044	0.9
157.08807	0.9
161.04436	7.8
163.03885	1.0
165.05544	1.5
169.50888	0.9
171.10187	1.8
175.02403	1.8
179.05513	19.1
179.44652	0.9
209.11717	1.1
211.13359	1.6
212.31868	0.9
213.86691	0.9
221.06538	1.7
227.16464	1.1
253.06136	1.2
261.12427	1.2
265.18222	1.2
269.09363	2.5
307.22864	1.2
319.22668	1.3
324.29825	1.0
325.23672	7.1
326.24213	0.9
337.23822	12.7
338.24042	1.3
355.24847	23.3
356.25262	2.7
499.29111	31.4
500.29105	5.4
517.30145	44.7
518.30450	7.3
541.30157	37.3
542.30524	5.5
559.31207	100.0
560.31525	16.1
721.35980	1.6
730.20038	1.2
765.33997	4.6
770.53491	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.4093
Annotation	Unknow
Peak:m/z	Relative Intensity
58.97468	1.2
69.80540	8.5
71.01247	6.9
73.02810	1.6
73.74723	1.6
77.45644	1.7
78.98442	6.4
79.95602	9.4
80.96380	67.3
87.00737	2.9
87.43969	1.3
94.97959	14.5
97.02826	2.0
98.20534	2.7
101.02307	1.8
106.97950	3.2
125.02312	2.2
134.97427	4.0
135.78122	1.4
148.98996	7.2
152.98514	5.3
164.98561	8.9
183.13866	1.8
206.99554	1.7
225.00641	19.4
251.81853	1.4
255.23058	3.0
342.71976	1.6
492.19684	1.5
509.16736	1.7
732.09747	1.6
765.40887	100.0
766.41412	20.9
792.15399	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	766.3143
Annotation	Unknow
Peak:m/z	Relative Intensity
58.76258	0.5
59.01244	3.5
61.98701	100.0
68.14386	0.6
69.35938	3.7
69.36354	1.1
71.01251	3.5
72.99175	2.5
73.02845	0.6
75.00754	2.5
78.95787	1.0
79.95631	0.6
80.96395	1.3
83.01267	0.7
87.00767	1.2
88.98699	0.9
89.02300	1.4
90.57041	0.5
99.00770	1.4
101.02336	1.6
107.17869	0.5
111.00771	0.7
112.98708	1.0
113.02328	1.4
115.00252	1.7
119.05029	0.5
135.93536	0.6
142.99783	1.3
143.64554	0.6
154.90868	0.7
170.30869	0.5
173.00815	0.9
174.01637	3.0
175.02306	2.7
253.09378	0.8
291.19714	0.7
293.21283	5.1
299.20126	0.6
309.20880	2.1
317.21167	0.9
331.19257	1.3
333.20697	0.9
345.20410	0.8
345.86401	0.7
397.13696	0.8
415.14606	1.0
529.30243	0.7
567.28168	1.8
579.28424	0.9
585.29089	5.9
586.29926	1.5
593.28918	0.6
595.27600	1.2
597.29150	2.3
607.27710	6.0
608.27917	1.0
625.29242	1.9
637.28345	3.5
643.30060	1.3
649.28632	1.5
667.29413	4.3
668.30408	0.8
685.30603	2.7
707.34637	0.8
766.34998	0.6
767.28912	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	765.3548
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01241	0.9
60.99172	16.9
61.98696	0.4
64.10375	0.2
71.01248	0.4
71.45142	0.1
85.74260	0.2
87.00744	2.4
88.00269	3.2
88.98674	100.0
89.02309	19.1
89.99031	0.9
90.02621	0.2
98.20579	0.4
101.02309	0.3
113.02293	0.2
135.84908	0.2
154.51051	0.2
212.92418	0.2
260.52377	0.2
277.21753	0.5
312.62326	0.2
397.13397	1.8
398.13623	0.3
415.14459	0.6
422.10498	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.355
Annotation	Unknow
Peak:m/z	Relative Intensity
55.04548	2.7
57.03306	3.4
59.01253	47.8
61.98701	28.1
69.03326	2.7
69.97694	3.1
69.97993	14.4
71.01249	39.6
72.99185	5.0
73.02814	3.1
75.00722	5.3
81.03333	5.1
83.01270	7.7
83.04933	2.8
85.02835	9.1
87.00748	14.9
87.03229	2.6
88.98670	5.7
89.02309	28.4
96.95872	4.9
97.02816	9.2
97.06492	5.0
99.00752	3.3
101.02303	31.6
105.59167	2.7
107.68134	2.6
113.02288	14.7
119.03387	7.7
125.02328	10.6
125.09606	5.7
137.09599	4.7
151.11200	5.7
161.04424	9.3
161.42781	2.5
163.11166	10.6
165.12794	4.9
171.10150	10.5
179.05560	17.9
181.12296	4.7
183.13818	3.2
185.11728	7.5
191.10661	4.5
191.14371	9.4
207.05193	2.8
207.10234	3.0
209.11821	27.9
211.13293	7.2
213.14896	10.1
227.12807	6.6
235.08139	8.2
245.19002	16.3
246.19545	4.0
263.20160	5.3
289.18088	74.9
290.18454	6.6
307.19141	100.0
307.22659	5.6
308.19464	12.7
311.26038	6.3
343.04880	2.9
397.13449	66.0
398.13928	6.3
403.47092	2.9
415.14545	48.2
489.90024	3.7
559.34821	12.1
560.34900	3.5
607.26105	9.4
608.26398	3.2
705.33521	11.0
765.33087	3.2
765.37469	3.1
766.31647	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.3547
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	3.9
59.00959	4.0
59.01247	52.9
61.98705	26.1
69.03309	2.7
71.01250	37.7
71.50201	2.9
72.99181	4.7
73.02802	4.2
75.00719	4.6
77.00854	2.1
81.03328	3.4
81.31966	2.1
83.01257	8.6
85.02808	10.0
87.00745	7.1
88.98679	2.7
89.02311	26.3
92.41144	2.3
95.01261	2.4
95.04848	2.5
96.43681	2.6
96.95894	7.2
97.02820	9.6
97.06449	3.8
101.02309	26.0
102.16776	2.4
105.33674	2.5
106.00763	2.4
111.04370	2.6
113.02318	13.2
116.06418	2.2
119.03373	8.9
123.04401	4.7
125.02327	7.7
125.06056	2.2
125.09614	9.8
137.09630	3.4
143.03410	4.2
161.04362	5.7
163.11166	9.9
171.10110	9.1
179.05550	4.2
185.11720	10.3
191.14317	8.8
207.10146	4.8
209.11765	28.2
211.13354	13.4
212.13701	4.2
225.11208	3.9
235.08104	6.2
237.11220	4.2
245.19078	22.5
250.88712	2.6
253.09161	4.1
263.20059	2.8
289.18054	87.4
290.18430	11.5
307.19101	100.0
308.19617	12.6
308.22598	3.0
309.20596	3.1
351.50470	2.5
397.13449	58.8
398.13596	7.9
415.14551	53.7
416.14908	4.8
444.32895	2.6
705.33270	6.9
706.34381	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	763.4116
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	1.0
58.00466	2.0
59.01246	30.5
61.98678	1.6
64.54168	0.7
69.03321	1.6
69.48905	5.7
71.01246	26.4
72.99181	2.4
73.02828	4.3
76.12411	0.9
78.95786	1.2
81.03326	1.4
83.01265	3.1
85.02824	5.9
87.00757	6.9
87.50062	0.8
89.02309	21.8
95.01264	2.2
97.02814	6.4
97.15611	0.8
98.20509	1.6
99.00754	1.8
101.02319	22.8
103.03822	0.9
106.27773	0.9
109.22569	0.9
113.02309	9.6
119.03373	7.2
125.02328	9.7
125.09619	1.1
131.03403	1.8
139.03932	1.0
142.07303	0.8
143.03377	3.8
149.04521	1.2
161.04446	5.7
179.05562	4.5
186.54971	0.8
199.06114	1.0
217.07076	1.2
217.93704	0.7
221.06558	1.9
235.08228	11.8
238.69196	0.9
253.09244	2.0
263.07510	1.0
277.21735	1.2
287.07709	2.9
305.08762	4.0
305.24832	74.4
306.25195	9.1
323.09741	1.2
358.17084	0.9
379.12204	0.9
397.13449	100.0
398.13828	9.4
415.14529	36.1
416.14871	3.3
656.45306	1.0
703.39673	1.3
763.42902	1.1
775.87329	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.3547
Annotation	Unknow
Peak:m/z	Relative Intensity
55.66454	0.6
56.39574	0.4
60.99175	16.3
61.98694	1.0
70.83439	0.9
87.00741	1.5
88.00282	3.3
88.98677	100.0
89.02312	10.5
89.99011	1.2
114.41248	0.5
193.84373	0.5
230.52660	0.5
277.21887	0.5
397.13580	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.2812
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86748	3.3
55.71275	3.2
56.52407	4.4
61.98714	4.1
71.51559	5.0
72.91396	3.3
121.02869	4.8
134.03621	5.3
135.04274	4.2
135.49638	3.6
137.02333	5.2
149.02309	8.0
150.03099	22.8
162.03101	4.4
163.03905	13.6
164.04735	11.0
165.05440	22.8
177.05563	10.8
179.03371	5.1
179.07002	4.7
192.04201	8.1
193.04999	9.1
195.06564	12.2
199.58595	3.9
207.06638	24.2
225.05550	9.7
227.06900	4.8
237.07542	4.7
239.07066	7.3
240.04236	42.9
240.07898	6.0
241.04861	13.3
255.06538	40.7
256.07196	14.9
265.04877	4.8
266.05933	4.9
267.06653	17.9
268.07367	12.3
270.08929	37.2
271.09683	21.2
279.06653	6.1
280.07529	4.8
283.06116	12.0
283.09756	10.6
293.08136	5.7
295.06116	35.9
296.06912	8.3
297.07599	8.3
298.08450	30.9
301.10770	25.1
308.06888	9.3
309.07620	8.2
310.08536	22.5
311.09155	10.4
312.06442	7.5
313.10834	35.9
322.08246	5.6
323.09253	17.6
324.06531	5.6
324.09955	10.2
325.10742	31.4
326.07770	9.4
326.11594	15.1
327.08783	21.6
327.12042	5.9
328.09613	5.2
339.08667	31.5
339.12451	14.8
340.09344	8.3
341.10199	16.6
342.11014	32.9
343.11789	53.1
344.12140	5.4
354.10999	15.9
355.11673	14.2
356.12524	7.4
357.13416	100.0
358.13715	11.5
369.13443	95.8
370.13864	10.8
373.12808	28.7
418.83624	4.0
581.15082	4.2
671.25470	5.9
683.25012	9.7
701.26239	4.9
713.26361	8.4
731.26160	8.1
743.26971	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	761.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01737	1.3
55.59169	1.1
57.03329	1.0
58.00457	2.3
59.01250	100.0
60.01577	1.7
69.03309	1.8
69.28277	1.2
69.63380	5.6
71.01256	41.6
72.99171	1.4
73.02818	42.8
75.00763	2.3
80.45765	1.3
81.03315	2.1
83.01254	15.5
85.02826	4.5
87.00751	2.0
89.02321	7.9
93.03346	11.9
95.01245	2.0
98.19875	2.0
99.00728	1.8
101.02324	38.6
108.02046	7.3
109.02834	2.3
111.04385	4.5
113.02334	12.5
119.03386	4.2
121.02845	61.5
122.03156	1.5
123.04417	7.0
125.02316	1.8
131.03383	4.3
139.03897	14.7
143.03389	3.0
149.04466	7.3
155.03403	1.9
161.04475	11.1
184.94316	1.4
189.34248	1.3
203.05550	1.7
221.06586	4.4
267.08633	3.0
269.10138	2.3
285.09604	2.3
304.88022	1.4
327.10892	2.3
361.11148	2.0
562.52924	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	761.2813
Annotation	Unknow
Peak:m/z	Relative Intensity
69.88094	2.0
81.88705	0.3
108.02048	0.7
113.17339	0.4
123.04415	0.6
127.93932	0.3
149.02309	0.6
150.03113	1.3
150.94028	0.4
159.04439	0.5
162.03091	0.6
165.05478	1.4
165.98619	0.4
169.06406	0.4
171.04456	0.4
177.05438	0.7
183.04414	1.5
184.05234	1.4
185.06052	0.5
187.03909	3.6
189.05502	0.7
194.05652	0.5
195.04449	2.8
195.06317	0.8
196.05090	0.6
197.06076	2.0
199.72517	0.4
211.03996	1.9
212.04723	5.4
213.05469	4.0
221.37621	0.4
223.04039	1.7
224.04741	0.8
225.05519	11.3
226.06137	3.2
227.07053	5.1
239.07103	0.7
240.04221	35.1
240.07875	12.9
241.04962	15.9
241.08455	1.4
242.05365	0.8
255.06598	100.0
256.07227	19.3
257.07800	1.2
268.07401	0.5
270.08957	83.0
271.09686	45.9
272.10147	3.4
285.07629	0.5
301.10794	64.3
302.11133	6.7
311.09293	0.6
326.08093	0.5
327.08878	0.8
328.09415	0.9
339.08676	1.1
339.12341	0.5
341.10187	0.7
342.10983	0.4
343.11765	1.5
355.11853	0.5
357.13370	2.5
369.13351	2.1
370.13635	0.4
373.12808	0.8
401.60956	0.4
583.21936	0.6
612.32220	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.2042
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	0.9
57.03314	0.9
59.01248	100.0
60.01588	1.2
64.81262	0.6
65.11143	0.6
68.01282	15.5
69.03339	1.0
69.46570	4.1
71.01252	16.2
73.02814	5.1
80.34496	0.7
82.02858	2.0
83.01260	1.9
85.02824	7.0
87.00746	1.2
89.02310	0.8
95.01269	1.3
97.02842	1.7
97.10322	0.6
99.00768	1.3
101.02322	9.3
108.02082	0.7
110.02363	12.3
113.02316	5.9
116.57693	0.6
119.04906	1.3
124.03950	1.2
125.02349	1.6
129.01859	0.7
131.03702	1.6
135.04427	4.5
143.03384	0.7
144.04489	2.0
145.04965	1.6
147.04410	21.5
148.04788	1.0
152.03426	0.7
158.05969	3.1
159.02904	1.3
161.04462	16.0
161.05859	0.9
165.05569	0.9
175.03966	1.0
186.05568	2.0
188.05573	3.1
189.05557	2.4
193.05013	0.9
195.06648	0.7
203.05545	15.8
211.57182	0.7
230.06651	52.0
231.07030	3.2
276.08768	12.9
293.94330	0.7
294.09885	2.4
336.10901	8.7
337.10992	0.8
578.42517	0.8
599.66132	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.2045
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78809	0.5
55.01760	0.8
57.01445	0.6
59.01249	100.0
60.01589	1.3
67.01776	0.7
68.01281	0.7
69.03323	0.9
70.37370	2.0
71.01248	4.9
73.02814	1.8
74.41394	0.5
85.02843	4.5
97.02841	1.6
101.02322	3.1
112.67051	0.6
113.02345	1.6
116.04984	0.7
117.03335	0.7
119.04944	2.2
135.04430	1.6
140.04980	0.7
144.04477	1.4
145.05013	1.6
147.04424	31.9
148.04771	1.7
155.93214	0.6
156.04417	1.0
158.05995	7.0
161.04498	4.6
161.05923	1.0
186.05577	2.0
186.07317	0.5
188.05606	1.5
189.05507	3.1
222.20287	0.5
230.06760	0.9
254.46521	0.5
276.08783	15.4
277.09082	0.9
320.32690	0.5
336.10843	4.7
406.12860	0.7
417.09241	0.7
458.63327	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.432
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54724	2.5
59.01233	11.7
61.98707	21.6
62.78331	2.4
66.72946	2.7
69.20351	18.9
69.20760	9.2
71.01236	8.3
72.98829	3.8
72.99178	34.9
75.00742	56.1
78.95762	6.7
80.96383	4.3
83.01244	3.2
87.00739	8.0
89.02308	6.2
89.73133	2.7
96.27808	2.9
98.19840	6.6
99.00743	15.4
109.06479	3.6
111.00777	3.4
111.08006	4.0
112.98646	5.1
115.00199	4.1
117.01807	7.9
121.02883	3.3
129.88200	3.0
135.02887	100.0
137.02307	2.5
142.99757	21.9
147.04474	4.2
149.02376	4.7
151.11200	2.8
152.99561	2.5
153.12677	2.8
154.99861	2.6
156.00528	3.9
161.05936	4.3
165.12737	13.2
173.00781	6.8
174.01625	31.2
175.02333	6.1
175.07581	3.9
176.08334	5.7
178.06274	3.4
187.07658	3.7
211.13298	3.6
217.15833	2.7
247.20621	8.2
273.18515	5.0
277.21677	10.6
283.20535	5.5
291.19638	68.9
292.19904	6.0
293.21115	11.9
301.22192	2.9
305.21164	15.5
309.20755	89.2
310.21021	10.0
313.18173	4.9
315.19565	5.1
317.21167	10.1
325.18182	3.3
327.19632	15.6
331.19296	22.2
332.19409	3.1
333.20670	7.7
345.20651	32.5
346.20953	3.9
369.20529	6.4
371.18494	9.0
383.18628	4.0
389.19720	4.3
451.66467	3.3
623.39563	7.7
637.40717	16.7
641.40405	12.2
661.41071	6.0
662.41339	3.7
663.39020	71.9
664.39301	18.2
675.38782	10.8
679.41718	7.7
681.40002	5.3
687.38776	17.2
688.39551	4.0
693.40381	12.5
705.40082	15.8
706.39960	6.7
723.41364	17.8
741.41992	19.0
742.42371	6.3
759.42993	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.4372
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	34.4
61.10637	2.0
61.98707	13.8
71.01229	5.2
71.51384	2.7
71.51782	1.9
73.02789	2.7
73.15601	2.0
78.95380	2.2
78.95773	14.9
82.70277	1.8
89.02278	2.9
97.02833	2.3
99.00755	3.3
101.02304	2.7
113.02313	2.7
125.09603	4.7
127.11128	4.9
152.99448	8.9
163.11165	4.0
171.10182	2.2
176.51826	2.3
181.12175	5.8
183.64825	1.9
199.09531	2.0
199.13318	9.8
201.11232	45.6
202.11539	2.8
207.10139	8.5
225.11240	17.0
235.08223	5.3
243.12376	5.4
253.09258	8.0
277.21707	83.3
278.22339	4.0
286.18539	2.0
355.06049	2.0
450.53027	2.5
462.20493	2.1
721.41919	5.0
739.42908	8.8
757.43677	100.0
758.44073	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	757.4011
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	1.2
59.01251	5.4
61.98693	2.5
71.01249	2.3
71.29691	0.9
73.02807	1.4
80.96392	0.5
85.02838	2.3
87.00764	1.2
89.02326	0.6
96.95877	1.1
99.04388	1.6
101.02303	1.5
109.02801	0.7
113.02301	0.7
113.05939	0.5
125.02319	2.1
127.11158	0.9
135.08067	0.8
136.05211	0.8
137.05956	1.3
137.09532	0.7
139.07553	0.6
147.00731	0.7
149.05998	6.2
150.06766	48.6
151.07082	2.3
161.09590	1.3
162.06755	1.4
163.07564	11.9
164.08339	7.1
165.05389	0.6
171.10191	0.7
175.02379	0.9
176.08302	2.2
177.09074	0.9
178.09900	3.7
179.10704	14.4
180.11037	1.1
193.08638	0.7
211.03908	0.5
211.06769	0.5
239.03273	0.6
255.02983	1.2
257.04575	0.9
265.21967	0.7
283.02573	1.0
283.22745	0.9
284.00122	0.5
284.03259	9.3
285.03970	6.2
286.04376	0.6
327.05005	0.8
327.25421	1.7
329.23294	7.0
330.23792	0.6
357.05911	0.6
430.30536	1.4
431.31174	0.6
432.31927	0.5
445.33206	1.0
447.09265	13.9
447.34808	0.7
448.09604	2.0
448.31824	8.5
449.32257	1.7
462.33597	2.5
463.34268	11.0
464.34579	2.0
490.32776	2.7
491.33698	2.8
492.34106	0.8
508.33994	4.0
509.34802	25.0
510.35153	4.0
609.25574	0.5
671.40204	2.1
672.40820	0.6
713.41125	100.0
714.41412	23.3
757.31311	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.2708
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01763	1.5
58.00480	1.4
59.01249	100.0
69.03317	1.9
69.70490	0.8
71.01251	60.6
72.01611	1.1
72.99186	2.2
73.02814	63.4
75.00745	1.0
83.01255	20.8
85.02813	8.3
87.00734	1.8
89.02308	11.4
93.03343	3.8
95.01279	2.6
96.95881	1.9
97.02839	1.3
99.00746	1.2
101.02319	61.9
102.02647	0.9
108.02044	1.1
113.02325	24.9
117.01845	1.1
119.03371	6.6
121.02866	6.5
122.03628	11.2
123.04430	1.3
125.02360	3.8
131.03389	5.4
135.04480	1.3
136.01566	4.0
143.03398	4.8
145.02875	1.7
149.01231	1.7
149.02356	24.8
149.04347	5.8
150.03123	76.3
151.03752	3.9
155.03358	2.3
161.04448	11.6
164.04697	3.4
165.05479	67.4
166.05844	3.7
179.05550	1.4
180.04179	4.2
195.06541	45.1
196.06915	2.5
198.60669	1.0
203.05383	1.0
221.06474	2.0
253.08723	1.5
263.07242	3.4
264.07678	0.9
281.08215	8.3
282.08469	1.1
291.03598	0.9
291.06708	3.1
292.07343	1.2
293.08151	2.8
294.08929	1.9
296.10764	1.5
308.10486	2.0
309.07690	34.6
310.08057	2.8
323.09216	6.0
324.10013	18.1
325.10522	2.8
339.12314	58.8
340.12634	7.6
357.13275	2.4
487.17566	15.0
488.17624	1.5
505.18817	5.4
553.20813	1.7
757.27185	1.0
770.63196	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.2712
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	47.1
61.98700	2.1
71.01258	21.4
71.51817	2.2
73.02818	21.7
75.82468	1.3
83.01265	8.1
85.02808	2.7
87.00754	1.6
89.02312	4.3
92.61109	1.2
95.01234	1.2
100.86066	1.4
101.02325	22.4
113.02307	7.9
119.03381	2.2
121.02840	2.1
122.03658	1.9
123.04434	1.3
131.03394	1.6
133.02824	1.7
134.03664	1.5
136.01555	9.9
137.02301	1.6
137.68730	1.2
143.03404	3.4
145.02858	5.2
146.03638	1.7
149.04453	2.2
150.03064	3.6
150.46486	1.2
151.03932	9.2
159.77391	1.2
161.02359	3.1
161.04457	4.7
162.03114	11.5
165.05493	3.1
177.05479	11.1
179.07063	2.5
185.05981	3.0
195.04482	1.7
195.06526	2.4
196.05150	1.7
197.05992	5.9
209.05855	1.1
212.04767	2.5
213.05511	16.0
214.05904	1.4
223.03952	3.0
224.04688	2.6
225.05516	27.7
226.06197	5.3
227.07074	3.7
235.03967	2.2
237.05560	2.9
240.04224	6.1
240.07872	19.8
241.05026	44.8
241.07634	2.2
241.08574	1.8
242.05339	2.5
252.07851	2.9
253.05109	6.4
253.08502	1.8
255.06635	18.8
256.04819	2.8
256.07391	41.3
257.07813	2.7
268.07428	9.9
270.08932	17.2
271.09741	100.0
272.10083	9.9
283.09677	11.5
301.10809	40.4
302.11136	3.4
303.12314	4.2
343.12076	2.1
344.11978	1.4
347.67719	1.5
357.13263	3.0
441.14151	2.3
517.18707	5.8
523.19519	1.7
586.64813	1.6
715.26044	2.3
757.27368	10.3
758.28296	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	757.2712
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	0.9
57.03318	0.8
58.00484	1.2
59.01251	100.0
60.01582	1.0
61.98711	3.2
65.77983	0.7
69.03330	2.6
69.17482	2.7
69.17903	3.3
71.01254	54.4
72.99186	2.8
73.02820	67.5
74.03158	1.0
75.00761	1.5
78.91759	1.2
83.01259	23.8
85.02821	7.4
87.00764	2.1
89.02321	9.3
93.03343	2.2
95.01267	3.1
96.95873	0.8
97.02842	1.5
99.00755	0.7
101.02324	61.3
102.02664	1.5
113.02332	23.8
114.02686	0.6
117.01813	0.9
119.03394	6.6
121.02842	8.2
122.03630	6.6
125.02347	1.9
131.03406	3.9
132.02075	1.0
133.02843	0.7
136.01567	0.9
143.03384	5.8
145.02872	1.6
149.02353	28.5
149.04353	6.7
150.03133	40.4
151.03668	1.4
155.03430	2.0
161.04463	14.6
161.05838	0.7
162.03145	2.3
163.62286	0.7
164.04681	4.2
165.05479	35.3
166.05821	1.3
177.05530	2.7
179.05594	0.9
180.04257	1.4
191.63817	0.7
195.06558	23.9
195.08322	1.2
196.06940	1.2
203.05597	1.5
221.06587	2.3
225.41193	0.7
225.75401	0.8
245.56830	0.7
247.07530	1.0
253.08719	1.4
263.07095	3.1
264.07986	0.9
275.07224	0.8
281.08179	6.9
282.08896	0.6
283.09775	1.3
291.06702	2.0
292.07611	0.9
293.08282	2.2
294.08920	1.2
295.09619	0.9
296.10522	1.5
307.09866	1.1
308.10510	1.7
309.07709	26.0
309.11093	1.8
310.07990	3.6
323.09232	4.8
324.10007	14.5
325.10495	3.8
327.12561	0.8
339.12363	39.6
340.12637	4.6
429.13309	0.7
443.15103	1.5
472.15549	2.8
487.17642	52.1
488.17932	7.5
505.19098	1.2
509.18323	0.8
535.19690	0.9
553.20941	1.3
649.23077	1.1
697.25055	0.9
715.26398	1.9
757.27380	4.7
758.27429	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	756.4018
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	0.3
61.98702	100.0
65.19363	0.3
71.25415	0.3
71.51594	0.4
75.00790	0.3
78.95786	0.6
101.02314	0.4
105.97880	0.3
209.11909	0.5
277.21677	0.4
398.13702	0.4
399.14099	0.6
400.14642	0.4
431.87970	0.4
764.13129	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.2564
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	0.3
67.56302	0.2
70.36653	1.1
71.01270	0.6
73.02814	0.3
85.02802	0.3
89.02322	0.4
93.03336	0.6
101.02374	0.3
109.31351	0.2
117.03436	0.3
119.04919	100.0
120.05249	4.1
133.75731	0.3
136.64845	0.3
161.04443	0.3
163.03922	91.8
164.04269	4.6
325.09290	13.6
326.09644	1.0
415.14664	0.3
431.15390	0.7
456.61121	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.4221
Annotation	Unknow
Peak:m/z	Relative Intensity
57.37801	2.7
59.01250	19.0
61.36137	2.8
61.98699	30.9
71.01241	14.4
71.51308	4.0
73.02826	4.6
83.04906	2.8
85.02818	3.5
99.00764	5.5
101.02320	9.5
111.08065	4.8
119.03315	3.5
126.39733	3.1
163.11128	5.3
165.12740	9.7
169.12234	5.3
171.10161	5.1
181.12279	4.4
183.13809	70.2
185.11682	5.6
197.11732	25.5
198.21745	2.9
199.13354	25.8
199.83618	3.0
204.20972	2.9
207.10168	8.6
208.42255	3.5
209.11765	30.3
211.13309	14.3
212.13776	3.9
216.86119	2.9
225.11255	12.5
227.12849	25.7
228.13187	3.6
235.08134	4.0
243.12349	3.5
247.20735	3.2
253.09366	15.9
275.20148	3.7
291.19565	22.1
293.21246	15.7
309.20743	36.3
310.21027	4.5
408.13272	3.6
437.48749	3.1
445.20444	6.7
461.20529	4.6
463.22119	6.4
467.34586	3.2
648.03571	3.2
659.30737	4.0
688.68396	3.3
737.40729	6.8
755.42078	100.0
756.42792	22.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.5132
Annotation	Unknow
Peak:m/z	Relative Intensity
54.54152	0.2
57.99198	0.2
59.01242	0.8
61.98703	7.7
69.16562	0.4
69.16964	1.7
72.99178	2.8
74.02329	0.3
75.00746	100.0
76.00277	0.6
76.01078	1.0
81.03339	1.1
83.04896	3.3
84.05258	0.2
98.02377	0.4
98.20602	0.3
102.31078	0.2
108.04404	0.3
125.07120	0.3
126.05499	0.3
143.08243	0.2
191.05434	0.2
224.17599	1.0
225.16035	2.2
242.18750	0.2
265.26169	0.2
268.16522	0.2
305.47781	0.2
333.22812	0.2
340.26093	0.2
450.34415	0.6
451.33170	0.8
559.40100	0.5
675.48071	1.3
677.49670	5.0
678.49854	1.2
693.49139	14.0
694.49573	2.7
747.47791	0.2
753.50983	1.0
754.48999	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	754.3496
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01243	1.0
61.98699	100.0
66.49768	0.1
70.38885	0.1
71.01254	0.3
71.50957	0.2
75.23334	0.1
79.95625	0.2
80.96391	0.2
85.02865	0.2
96.95897	0.6
114.22572	0.1
134.28856	0.1
209.11783	0.3
257.59756	0.1
291.19913	0.3
291.25580	0.1
306.06888	0.2
309.20670	0.2
562.46838	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.204
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51759	0.8
59.01234	1.2
60.19073	0.8
69.66039	0.7
71.49802	1.2
81.36264	0.9
82.28284	0.8
89.06780	0.8
105.06141	0.9
109.02837	2.0
121.02847	1.2
125.02312	1.0
133.02852	7.2
135.04404	1.9
137.23434	0.9
161.02351	1.5
163.03821	1.2
165.01814	1.3
175.03896	2.1
177.01781	1.3
178.99815	0.8
199.03920	1.7
201.01657	1.8
217.04773	0.9
229.08421	0.8
236.95731	1.1
253.05038	1.5
255.06619	1.3
284.03186	2.2
285.04013	6.8
297.04025	8.2
298.04794	8.5
299.05588	30.2
300.05927	2.9
309.04019	2.3
311.02176	2.0
311.05548	5.4
312.06339	5.9
313.03629	11.9
313.07031	1.1
314.03989	1.4
316.94638	1.1
325.03384	2.0
327.05078	77.9
328.05399	8.3
339.05014	8.4
341.06705	1.1
353.06744	1.8
357.06116	18.4
358.06259	2.7
369.06125	6.2
374.34451	0.9
381.06299	1.0
399.07248	4.0
429.08334	1.8
447.09302	24.7
448.09610	2.9
473.10532	1.5
593.14929	8.5
594.15479	1.3
635.16132	3.0
755.20349	100.0
756.20667	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	753.4066
Annotation	Surculoside B
Peak:m/z	Relative Intensity
55.01760	3.3
57.03325	2.6
58.00455	1.9
59.01247	35.0
61.95189	0.4
61.98695	5.3
66.99043	0.5
71.01250	48.7
72.01583	0.8
72.99184	2.4
73.02816	12.7
75.00743	0.7
78.95748	0.6
83.01255	10.3
85.02820	24.4
85.99954	0.5
87.00748	4.2
88.67248	0.6
89.02313	13.3
95.01267	4.6
96.95903	0.7
97.02808	2.4
99.00758	5.6
101.02321	36.1
102.02670	1.0
111.00719	0.7
113.02325	21.1
114.02655	0.5
119.03394	5.5
125.02324	2.8
131.03392	1.2
143.03416	2.4
149.04449	0.5
152.12480	0.6
159.02872	1.8
161.04466	9.6
179.05495	2.6
205.03473	0.7
221.06590	1.9
270.52008	0.4
325.25378	0.9
395.26001	0.6
397.27396	2.1
409.27643	0.8
429.30121	1.8
473.29059	1.0
513.36285	0.5
558.69299	0.7
573.34198	0.6
591.35339	40.5
592.35638	6.0
649.38550	0.6
709.38739	1.0
753.40631	100.0
754.40973	19.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.3755
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	26.5
60.89830	2.2
61.98700	79.2
70.03781	10.2
71.01257	15.3
72.80356	2.4
73.02824	3.3
80.96387	3.9
85.02819	4.9
87.00733	3.5
89.02316	14.5
96.95872	9.4
101.02320	11.6
113.02314	6.5
119.03351	6.6
125.02308	3.4
154.81931	2.1
175.02304	3.0
179.05484	3.4
195.13817	6.9
197.56226	2.1
201.33859	1.9
209.11693	3.5
211.13264	5.1
223.13351	8.7
229.19888	2.5
235.08171	3.2
249.12410	2.0
275.19977	2.2
291.19717	2.8
293.21213	100.0
294.21524	13.4
385.17120	2.5
397.13483	24.8
398.13898	2.9
415.14664	33.3
503.32126	9.3
511.04239	2.3
652.83124	2.4
682.13531	2.7
691.35297	3.3
751.32196	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	753.3125
Annotation	Unknow
Peak:m/z	Relative Intensity
70.65710	2.1
74.99860	0.7
78.95777	0.8
87.15312	0.7
90.11063	0.7
93.03333	3.4
93.21674	0.6
95.01296	0.8
96.95897	1.0
106.64681	0.7
107.69174	0.7
108.02078	1.6
109.02842	1.9
121.02839	11.7
122.03642	17.9
123.04381	2.7
124.01546	1.6
132.02045	3.5
133.02864	9.1
134.03644	6.6
135.04478	1.1
136.01555	2.2
137.02328	0.8
145.02869	5.3
146.03635	3.9
147.04425	6.7
149.02347	32.0
149.05968	9.4
150.03128	100.0
151.03508	5.2
161.02296	1.4
161.05984	3.9
162.03108	3.8
164.04698	6.0
165.05478	91.9
166.05817	3.1
177.05518	3.8
177.40295	0.7
179.07086	4.1
180.04242	5.2
195.06555	42.4
196.06940	2.6
285.11316	0.8
315.12421	1.5
329.13980	1.6
330.14258	0.8
343.11981	1.7
344.76825	0.9
346.14114	3.6
347.14841	4.2
361.16568	18.7
362.16971	2.0
415.17612	3.9
477.19150	1.0
479.20715	0.8
509.21768	36.4
510.21927	5.4
521.21704	3.2
539.22894	7.4
540.23303	1.3
557.23859	7.1
558.24475	0.9
563.22552	3.8
564.23395	1.1
611.25049	2.1
612.25397	1.0
657.26996	17.0
658.27808	2.6
669.27399	2.6
670.27942	1.1
687.28131	12.6
688.28442	2.7
699.27869	2.3
705.28967	12.1
706.29230	2.8
717.29272	2.9
735.30396	3.4
753.31097	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	751.3748
Annotation	Unknow
Peak:m/z	Relative Intensity
58.61822	0.2
59.01253	1.3
61.70988	0.2
61.98707	0.7
71.01237	1.1
72.99178	3.3
75.00744	100.0
76.01093	1.3
85.02795	0.3
87.00739	0.3
89.02320	1.3
96.95856	0.2
101.02331	0.8
110.25356	0.2
113.02360	0.3
125.02346	0.5
143.03433	0.2
144.57423	0.2
161.04419	0.3
179.05559	0.3
217.16995	0.2
221.11993	0.2
225.22656	0.2
235.08165	0.5
251.41832	0.2
266.97684	0.2
277.21725	3.1
278.22141	0.5
371.55078	0.2
397.13431	6.2
398.13861	0.5
415.14621	1.9
751.39203	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.3421
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94158	0.3
55.58422	0.3
59.01244	0.4
59.05161	0.3
61.98684	0.6
66.96841	0.3
71.51515	0.6
78.95770	10.2
79.74831	0.3
79.95603	2.7
86.70974	0.3
96.95885	100.0
96.96803	14.3
98.02338	0.4
119.78175	0.3
152.00984	0.3
205.93459	0.3
348.86020	0.3
385.63654	0.3
397.13519	0.7
453.09430	0.5
497.10394	0.3
547.85657	0.3
578.55719	0.3
588.97443	0.4
691.32532	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.3748
Annotation	Unknow
Peak:m/z	Relative Intensity
54.24868	0.1
59.01256	1.7
61.98701	0.2
71.01244	1.2
71.50030	0.2
72.99175	2.9
73.02807	0.2
73.99516	0.2
75.00744	100.0
76.01074	1.1
78.95780	0.2
80.96402	0.1
85.02826	0.4
87.00728	0.4
89.02335	1.2
97.02831	0.2
101.02302	1.1
103.50854	0.1
113.02322	0.5
115.03872	0.2
119.03375	0.5
125.02331	0.5
143.03410	0.2
161.04428	0.2
179.05501	0.2
184.63205	0.1
209.44044	0.1
210.82126	0.1
235.08235	0.6
263.15533	0.2
270.28748	0.1
277.21719	3.8
278.21997	0.4
287.07693	0.2
291.19635	0.2
397.13455	6.1
398.13895	0.7
415.14499	2.1
437.25769	0.1
675.35651	0.2
708.39685	0.1
713.53656	0.2
751.41211	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.2965
Annotation	Unknow
Peak:m/z	Relative Intensity
65.16119	0.8
65.93584	0.8
74.02224	0.8
86.14805	1.0
93.03361	3.6
95.01239	1.0
97.22156	0.9
98.20659	2.0
102.59469	0.9
105.03369	1.2
109.02827	1.4
121.02844	9.5
122.03642	13.5
123.04440	2.1
125.84608	1.0
132.02060	1.8
133.02852	3.6
134.03615	3.0
135.04370	1.4
136.01524	2.8
137.02316	0.9
145.02795	2.1
146.03673	2.7
147.04388	3.2
149.02338	25.6
149.05992	2.8
150.03125	100.0
151.03619	5.7
159.04413	2.7
160.05193	5.4
161.02295	1.4
161.05952	3.7
162.03140	2.1
163.03918	3.1
164.04703	8.5
165.05479	94.3
166.05820	4.0
173.05986	1.8
175.07573	5.3
177.05449	5.3
178.06177	2.1
179.07018	3.0
180.04237	5.8
187.07402	1.0
195.06548	51.5
196.06895	3.5
298.08566	1.0
315.12241	1.5
321.92548	0.9
327.12112	1.0
329.13904	17.4
330.14267	1.0
343.11816	3.8
373.12717	1.7
386.65170	1.0
448.29797	0.9
459.17529	1.1
477.19147	11.3
478.19315	1.3
497.82635	1.0
507.20282	13.6
508.20633	1.3
525.21216	6.1
526.21509	1.0
537.21198	2.5
555.22534	5.3
561.20953	1.3
609.23218	1.0
655.25629	6.3
656.25549	2.2
667.24945	1.5
673.26526	3.6
685.26440	4.6
686.27417	1.1
703.27277	6.6
704.27679	1.8
715.27545	1.1
721.28491	1.2
733.28882	2.3
751.29425	1.8
774.58118	1.0
777.94781	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.3603
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01768	1.7
57.03325	2.2
59.01247	32.7
61.98697	20.0
69.03323	2.0
71.01252	22.5
71.50436	2.7
72.99184	3.3
73.02810	2.5
74.39243	1.5
75.00758	2.9
83.01262	1.9
85.02813	5.8
87.00754	3.8
88.98663	3.5
89.02296	14.3
89.84355	1.5
96.95891	3.6
97.02837	4.2
97.06453	2.0
101.02319	16.7
111.08012	2.0
113.02332	7.7
119.03395	3.8
125.02351	4.2
127.11184	1.8
143.03386	2.1
161.04489	3.7
167.10686	1.8
179.05518	3.5
183.05061	1.8
209.11732	4.3
211.13373	3.6
235.08171	6.6
247.20700	1.8
263.20123	5.5
273.18579	10.1
291.19656	100.0
292.19983	5.2
305.08630	2.2
336.22568	1.7
397.13458	55.0
398.13867	3.7
415.14581	26.2
689.33820	23.9
690.33978	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	749.3599
Annotation	Unknow
Peak:m/z	Relative Intensity
53.60912	1.3
59.01254	32.1
61.98703	16.0
64.85186	1.3
69.03321	3.2
69.19930	8.4
69.20356	5.6
71.01254	23.8
71.04876	1.3
72.99175	2.4
73.02821	3.3
75.00747	2.6
75.38880	1.5
81.03313	1.5
83.01242	2.8
85.02808	5.1
87.00769	3.6
88.98708	2.3
89.02307	19.6
94.77855	1.3
95.82819	1.3
96.95898	2.6
97.02832	3.6
98.19677	1.4
99.00763	1.9
101.02319	18.5
108.50573	1.5
113.02316	9.8
119.03344	7.9
125.02354	4.2
125.09595	3.0
127.11144	2.4
141.01866	1.6
143.03404	2.8
153.12755	3.1
161.04440	3.7
162.97940	1.3
179.05534	4.1
209.11771	2.8
211.13307	4.5
235.08159	4.2
247.20647	4.7
251.28513	1.5
253.09201	2.5
263.20108	7.0
273.18539	9.8
291.19659	100.0
292.19931	8.0
305.08987	2.7
397.13477	54.5
398.13666	4.3
415.14557	32.2
416.14957	2.4
570.63995	1.5
608.24664	1.5
689.33972	28.8
690.34583	6.7
746.30615	1.6
749.41479	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	749.3593
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03319	0.8
58.00462	0.9
59.01250	24.5
61.98382	1.4
61.98699	22.0
63.22207	0.9
69.03315	1.2
70.26367	3.0
71.01250	17.8
72.47486	0.7
72.99171	2.0
73.02805	2.9
75.00721	0.9
76.89064	0.7
81.03364	0.8
83.01250	1.3
83.04875	0.9
85.02826	4.6
87.00741	4.6
88.98663	0.9
89.02312	13.0
95.01265	1.6
96.95883	3.4
97.02828	2.3
99.00726	1.0
101.02316	12.1
113.02335	5.5
116.92738	2.1
117.82796	0.9
119.03384	4.0
125.02337	5.7
125.05907	0.8
143.03387	1.4
150.10460	0.8
157.08604	1.9
161.04445	3.1
163.11212	1.1
165.12756	16.3
176.11743	0.8
179.05515	2.5
211.13249	2.6
212.13802	0.9
221.06619	1.3
227.12671	0.8
235.08203	5.5
247.20622	8.6
248.21005	1.1
253.09105	1.5
273.18564	5.0
287.07626	1.4
291.19641	100.0
292.20007	7.7
305.08737	1.8
309.20743	2.1
384.87402	0.9
397.13461	52.6
398.13715	3.6
415.14569	27.9
416.14844	3.2
689.33850	2.5
749.37775	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.5024
Annotation	Unknow
Peak:m/z	Relative Intensity
54.63974	44.0
69.47818	37.5
71.26400	100.0
78.43526	36.2
152.13794	41.2
173.87177	41.3
185.16061	45.7
214.73982	48.7
245.90808	41.3
275.83661	41.2
312.70129	45.8
327.24338	40.6
480.68591	43.1
589.87134	47.4
745.49792	57.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.2714
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	14.3
61.98704	11.0
69.57746	3.4
71.01253	11.2
71.01628	0.9
72.99175	1.1
73.02835	1.2
83.01261	0.7
85.02838	2.2
87.00737	0.7
89.02312	12.4
93.03323	3.4
95.01288	1.0
96.95907	1.2
97.87607	0.6
98.19816	1.2
101.02311	6.6
104.74809	0.5
106.67117	0.6
109.02834	1.6
113.02346	3.7
119.03377	4.6
121.02835	5.5
122.03628	12.1
122.04467	1.0
123.04412	1.3
132.07634	0.6
133.02853	1.7
135.04448	1.1
136.01558	8.8
136.05150	0.6
137.02277	1.7
139.03932	0.7
143.03470	1.4
145.02843	1.0
147.04321	0.7
149.02348	18.3
149.06020	0.8
150.03123	86.6
151.00285	2.3
151.03923	11.2
152.04591	0.7
161.04475	1.0
162.03111	2.5
164.04712	4.0
165.05475	100.0
166.02625	8.0
166.05801	4.8
167.03267	1.2
175.02393	0.7
175.03810	0.8
177.05463	1.8
179.05531	2.4
180.04218	7.1
181.04976	10.1
189.05481	1.0
190.06313	1.4
191.03348	1.0
193.04935	0.8
195.06551	94.6
196.06900	5.5
200.66304	0.6
206.05746	0.6
212.20769	0.7
221.08217	0.7
309.07544	0.7
311.09171	0.7
324.09921	0.7
339.08603	1.6
342.11081	1.1
357.09698	2.7
357.13388	7.6
369.13504	4.0
372.11981	1.8
387.14465	26.4
388.14725	3.5
496.90213	0.6
497.34509	1.0
535.19684	4.4
553.20929	1.3
565.20758	0.9
583.21820	18.5
584.22101	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	745.2718
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01770	1.7
55.06818	1.1
58.00467	5.0
58.37800	1.2
59.01251	100.0
60.01598	2.0
61.98703	15.5
63.04059	1.1
69.24786	9.1
69.25190	2.9
71.01254	62.8
72.01599	1.8
72.99178	5.9
73.02846	2.5
83.01258	2.8
85.02834	9.5
87.00750	2.9
89.02322	78.5
90.02683	1.7
93.03338	3.3
95.01256	5.1
101.02323	32.6
109.02839	3.8
113.02335	28.8
119.03393	28.7
121.02847	10.9
122.03632	14.5
123.00761	1.8
131.03362	3.6
133.27164	1.3
135.04416	6.4
136.01552	11.4
143.03419	4.1
146.03551	1.3
149.02344	29.9
149.04352	3.0
150.03134	90.3
151.00305	3.0
151.03947	13.3
153.01877	3.1
161.02336	1.7
161.04446	4.5
162.03151	2.1
164.04692	5.8
165.05482	77.0
166.02620	8.9
166.05800	5.6
167.03326	2.2
175.03877	3.0
179.05560	9.6
179.06915	2.1
180.04189	3.6
181.05008	9.9
189.05446	2.3
190.06306	2.4
195.06558	50.7
196.06837	3.3
238.40483	1.3
244.07466	1.3
268.07394	2.0
280.07364	1.4
283.09857	1.6
296.06949	1.8
296.26535	1.5
308.06784	2.2
309.07608	1.8
311.09171	3.2
323.09180	5.4
324.06335	2.7
324.09979	1.8
338.11594	1.9
339.08755	18.0
340.09036	1.9
354.10953	7.0
356.12360	1.8
357.09598	2.9
357.13559	4.5
369.13428	28.5
370.13623	4.3
372.12140	2.5
384.25040	1.4
387.14462	23.3
388.14774	2.8
408.48322	1.5
517.18768	1.7
535.19690	27.5
536.20300	3.7
553.21143	1.8
583.21851	18.5
584.22095	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	743.4221
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03330	1.6
58.12340	0.7
59.01252	16.9
61.98709	4.1
68.51028	0.8
71.01254	3.0
71.49890	0.8
73.02831	1.8
78.95795	1.3
85.02816	3.0
87.00743	1.2
87.04378	2.2
96.95934	1.3
98.57173	0.9
99.04412	1.6
101.02315	2.4
101.05970	1.4
113.05872	1.0
135.08038	1.3
137.06015	1.3
149.05959	7.4
150.06766	72.3
151.07124	2.8
151.57510	0.8
152.99419	0.9
161.09595	1.2
162.06738	7.0
162.71397	0.8
163.07553	14.7
164.08359	11.2
165.05492	1.1
176.08345	1.3
177.09146	11.0
178.09850	4.2
179.10698	45.7
180.11047	3.2
203.54041	0.8
211.13394	1.2
215.13934	0.8
279.23352	1.1
309.20639	3.2
391.28510	2.8
477.35889	17.7
478.36023	3.6
480.34534	10.9
481.34985	3.0
493.34964	1.6
494.36093	14.3
495.36908	100.0
496.37247	17.6
537.37799	1.3
639.41046	16.0
640.41205	3.4
657.42206	2.9
699.43073	7.1
700.43140	2.4
707.34137	1.3
743.32739	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	744.4022
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01266	0.3
60.70236	0.1
61.78727	0.2
61.98699	100.0
62.98401	0.2
71.08680	0.2
71.09004	0.2
76.22414	0.2
89.02322	0.3
101.02302	0.2
118.34369	0.1
150.67299	0.1
155.16295	0.1
169.16168	0.1
251.69345	0.2
283.26434	0.4
284.26852	0.4
285.27295	0.2
314.54083	0.1
398.13718	0.3
399.13663	0.2
503.83655	0.2
666.34692	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.271
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02829	0.7
57.03311	1.5
57.24963	0.6
58.00468	4.4
59.01247	100.0
60.01583	1.7
64.66430	0.7
66.90279	0.8
68.47807	0.7
71.01250	63.1
71.07176	1.5
72.01602	0.7
72.99166	4.4
73.02815	1.3
78.96652	0.7
83.01262	2.4
84.02077	0.8
85.02815	8.9
87.00751	3.1
89.02314	84.0
93.03325	1.2
95.01273	3.5
101.02318	35.7
113.02325	25.3
114.28715	0.7
119.03385	38.8
121.02820	3.9
122.03634	6.4
126.40952	0.8
131.03384	3.9
136.01530	0.7
143.03426	5.8
149.02380	10.3
149.04477	3.4
150.03134	29.8
151.03552	1.1
161.04462	3.8
164.04712	1.7
165.05478	23.3
169.36082	0.8
177.05472	1.0
179.05563	13.5
180.04262	1.7
195.06558	19.6
251.07417	0.8
268.07452	2.6
279.06607	1.0
280.07605	0.9
283.09836	1.0
283.34637	0.8
296.06973	1.4
308.07040	3.2
309.07590	1.1
311.09439	2.2
312.09729	1.0
317.69705	0.8
322.08453	0.8
323.09375	3.6
324.06537	1.1
324.10022	1.0
338.11502	1.2
339.08746	11.5
339.12640	1.1
340.09155	1.4
354.11078	3.6
355.11411	0.9
369.13394	27.8
370.13901	3.1
440.64780	0.9
517.18701	9.0
518.19159	1.8
631.67871	1.0
745.26520	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	743.3701
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01243	0.8
60.99174	16.8
61.98698	3.4
63.62550	0.2
71.01244	0.4
71.51007	0.4
78.95753	0.3
79.37314	0.2
85.41311	0.2
87.00745	2.5
88.00278	4.5
88.98674	100.0
89.02310	22.4
89.99008	1.1
101.02328	0.3
117.31333	0.2
118.04562	0.2
171.10187	0.3
195.79507	0.3
255.23157	1.1
256.23563	0.4
277.21710	0.2
293.21390	0.3
354.29111	0.3
397.13516	1.9
415.14594	0.6
431.23468	0.3
640.69971	0.2
743.28571	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.3858
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03305	1.2
59.01245	9.6
61.98700	8.6
69.97134	3.0
69.97553	1.6
71.01246	3.8
72.99167	1.9
73.02814	2.1
75.00721	1.6
78.95773	1.1
83.01200	1.1
85.02808	1.6
89.02319	1.4
96.20238	0.9
96.95874	3.5
98.20679	1.0
101.02331	2.6
113.02326	2.6
122.03636	1.3
128.03412	0.9
135.04378	3.7
136.05197	36.8
137.05615	1.9
137.09560	1.0
141.42137	0.8
146.03510	1.0
147.08029	2.1
149.02313	2.5
149.06024	7.8
150.03125	1.8
150.06754	6.1
155.10608	1.0
161.04384	1.0
162.06743	3.8
163.07558	1.7
164.08316	6.9
165.05412	2.1
165.09125	18.9
171.10165	1.1
174.01614	1.2
179.06985	2.4
179.10712	2.9
191.07065	1.7
195.06541	1.2
205.10709	0.9
223.05952	1.5
230.51695	1.0
242.55219	1.0
306.07642	1.6
327.12311	1.2
329.23312	5.0
330.23425	0.9
431.31628	1.5
434.30298	3.2
448.31952	1.1
449.32666	15.4
450.33041	3.7
476.31293	1.3
477.32138	3.1
494.32394	2.3
495.33167	23.1
496.33698	4.5
595.05206	0.9
657.37213	1.9
699.39569	100.0
700.39789	23.0
743.31146	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	742.3868
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01241	0.3
61.98698	100.0
62.98383	0.2
68.22621	0.1
71.01269	0.1
71.51703	0.2
89.02316	0.1
133.13202	0.1
171.15533	0.1
196.34816	0.1
201.11246	0.2
209.11829	0.4
210.12190	0.1
235.08336	0.2
254.09554	0.1
277.21698	0.4
278.22104	0.4
281.24908	0.3
282.25269	0.2
283.25647	0.1
398.13855	0.2
399.13971	0.2
400.14313	0.2
417.15176	0.1
578.99280	0.1
595.67584	0.1
636.86053	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	743.3263
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	55.0
61.98697	16.0
64.93910	2.9
71.01249	17.0
73.02848	3.0
73.73979	2.5
74.06746	2.7
75.00720	3.1
85.02833	6.9
87.00754	4.1
88.98709	3.4
89.02298	12.5
96.95905	4.8
101.02313	12.0
112.04812	2.8
113.02309	7.2
115.00222	5.1
121.02835	7.3
125.02343	4.1
150.06793	14.8
161.04472	3.3
165.05449	3.7
175.02333	3.0
177.09174	3.4
179.10693	6.3
185.87350	2.5
185.96333	3.0
197.11739	6.6
205.60519	2.4
211.13411	3.4
229.54802	3.2
281.04663	2.9
291.19672	30.8
292.20203	4.2
309.20691	100.0
310.20981	11.2
397.13495	30.7
401.08868	3.9
415.14487	38.7
495.36960	14.0
639.39795	3.5
689.33051	3.6
699.40857	5.2
707.34845	12.0
743.32281	45.7
743.43292	4.0
744.32727	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	741.4712
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84610	1.0
59.01265	7.1
61.98702	20.6
70.28468	1.2
70.72845	3.1
71.67363	1.1
77.50728	1.4
78.95772	45.8
79.95619	1.6
80.96394	2.2
89.02262	1.4
96.96853	2.5
101.86982	1.4
138.73318	1.1
141.01604	3.8
152.99492	45.5
171.00591	4.6
177.33289	1.3
178.68060	1.2
184.96066	1.3
225.02690	1.3
227.03204	4.3
232.97499	3.5
253.21689	28.7
253.24167	2.5
254.22079	2.8
255.23360	1.7
277.21716	74.6
278.21973	7.3
279.23227	4.0
413.20847	1.9
487.24536	1.7
505.25717	100.0
506.25903	11.9
741.46936	26.0
742.47418	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	741.4273
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	55.1
60.64109	2.2
61.98690	8.2
69.74087	1.9
71.01250	28.7
71.51472	2.0
72.99198	2.6
73.02814	3.6
78.95767	13.0
80.96366	2.8
83.01283	2.3
85.02822	4.3
87.00752	5.8
89.02313	22.1
91.02914	1.9
91.03899	2.1
97.02821	4.9
101.02322	19.9
107.24935	2.3
113.02336	9.4
119.03383	8.4
121.02776	2.4
125.02345	7.7
139.03893	2.4
143.03430	2.7
152.99451	11.9
161.04544	4.9
177.60947	2.1
179.05505	6.2
195.13808	2.8
211.17896	2.2
221.06686	2.0
221.42329	2.1
235.08165	11.1
277.21759	4.7
283.26398	67.9
284.26791	7.4
287.07794	2.8
290.07297	2.0
293.21103	2.6
295.22772	31.9
305.08847	4.2
329.23300	9.0
397.13464	100.0
398.13800	6.9
415.14471	32.0
445.20331	2.7
663.39673	2.5
681.40924	2.9
741.43445	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	741.3122
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	12.7
61.98698	8.6
71.01237	3.3
71.50345	1.9
78.95771	2.7
79.69128	1.1
80.96440	1.6
89.02277	1.3
96.95890	3.9
101.02293	2.5
109.02831	2.7
113.02245	1.5
125.02338	1.2
130.18468	1.2
133.02853	19.1
135.04433	2.2
159.04504	1.4
161.02362	1.3
175.03851	2.1
177.01843	2.9
178.99814	1.8
199.03932	2.1
201.01843	3.4
211.13354	1.9
225.05493	1.8
228.11623	1.4
241.05125	1.6
243.03036	2.2
261.75458	1.4
268.09857	1.3
269.04572	2.2
270.05133	1.5
277.04831	1.2
279.06866	1.3
284.03235	6.7
285.04034	6.8
297.04037	11.8
298.04813	46.7
299.05249	10.1
309.03958	2.9
311.01978	3.3
311.05548	6.9
312.06210	2.0
313.03537	32.6
314.03897	5.4
323.05667	12.2
324.05875	2.4
325.03525	3.0
326.04153	2.6
327.05139	10.6
330.03873	4.2
335.05511	1.4
339.05246	1.8
351.04849	3.3
351.08704	4.2
357.06180	2.4
369.05951	1.3
379.04425	11.8
379.08313	1.2
380.04599	1.5
391.08456	1.6
409.05463	8.5
409.09995	1.3
435.14279	2.1
443.24185	2.2
446.08469	6.5
447.09079	8.5
448.09546	1.5
473.25241	1.5
479.17230	2.4
569.53815	1.5
591.25677	1.9
593.27948	1.5
621.26996	38.4
622.27094	8.8
633.27057	2.8
651.28131	24.0
652.28247	5.2
681.29346	1.6
697.40912	4.9
723.30182	8.6
724.30536	3.5
741.31195	100.0
742.31567	27.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.1881
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12036	1.8
60.41049	2.0
70.80052	2.1
71.49368	2.5
72.76472	2.3
75.06226	1.8
90.17937	2.1
119.04931	2.2
120.98888	2.1
128.35843	2.6
133.02853	9.6
174.77101	2.2
177.01845	5.6
297.04044	4.9
298.04813	9.4
299.05481	6.5
311.05551	15.8
312.06342	44.1
313.07056	11.0
327.04993	11.6
338.04556	2.6
339.05103	19.2
340.05618	4.4
341.06641	7.3
344.05359	8.5
353.06488	5.4
355.04602	3.5
367.04443	3.4
369.01862	3.5
369.06134	42.4
370.06537	6.5
380.67529	2.2
381.06146	5.5
397.05954	2.3
399.07184	37.2
411.07040	7.6
429.08167	6.0
441.08224	3.3
459.09357	7.5
489.10721	5.1
531.11487	7.7
561.12091	4.9
579.13422	29.4
580.13867	3.9
621.14172	11.4
651.15845	8.5
741.18787	100.0
742.18982	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	741.3124
Annotation	Unknow
Peak:m/z	Relative Intensity
56.07876	1.8
59.01252	24.3
61.97493	1.6
61.98710	12.5
63.78529	1.6
64.61597	1.7
71.01241	7.7
71.50035	2.3
73.02819	2.6
76.97062	1.7
78.95753	1.9
83.01258	3.9
84.97720	1.8
85.02781	3.0
88.98681	3.0
89.02322	2.7
96.95877	5.5
101.02303	3.2
109.02835	3.5
113.02342	3.7
121.06428	2.2
125.02327	2.4
133.02855	19.2
152.99580	2.6
163.07552	3.0
175.03827	3.4
177.01843	3.8
191.80855	1.9
201.02002	3.9
208.32945	1.9
209.11699	4.3
211.13319	4.1
253.21872	2.2
269.04599	4.2
277.21786	4.4
284.03241	2.9
285.03906	5.7
289.18036	3.4
297.03986	13.9
298.04810	35.9
299.05350	9.9
300.05557	4.4
307.19193	4.5
310.04636	2.7
311.05499	13.7
312.06360	6.7
313.03397	12.2
314.03824	12.5
315.04031	5.3
323.05606	5.9
325.07010	4.8
327.04858	6.9
328.05466	3.4
329.05634	3.1
339.04990	4.5
339.08801	2.1
346.41071	2.0
353.06570	6.7
357.06183	2.1
381.13290	5.5
383.07877	2.6
397.13367	4.4
415.14453	2.5
443.24756	2.6
447.08945	3.8
448.09216	5.4
449.09711	4.4
451.29419	2.0
477.31393	2.7
505.25735	6.3
544.62372	2.0
563.29437	2.1
570.56567	2.1
607.25665	2.3
621.26941	54.0
622.27466	9.9
633.26965	2.6
651.28064	28.8
652.28308	6.3
663.27765	2.4
681.27917	2.7
697.40088	4.2
723.30585	6.2
741.31067	100.0
742.31665	25.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.1463
Annotation	Unknow
Peak:m/z	Relative Intensity
55.64236	0.4
61.98698	1.0
62.45803	0.4
62.88577	0.4
63.19512	0.4
71.15622	0.8
77.03823	2.5
93.03338	0.4
102.66672	0.4
121.02846	100.0
122.03185	3.4
140.59993	0.4
165.01846	76.7
166.02145	2.5
180.05769	0.7
181.06464	2.3
191.03415	1.5
225.05547	1.2
258.00150	0.4
313.07251	1.6
357.06113	9.3
358.06589	0.8
405.56702	0.4
412.63913	0.4
741.14569	5.1
742.14746	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.3707
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	0.4
61.98701	100.0
71.01271	0.2
71.41785	0.2
89.02319	0.3
90.78744	0.1
99.92458	0.1
100.23991	0.1
100.34317	0.1
101.02348	0.2
111.97313	0.1
116.92769	0.6
124.32922	0.1
129.01976	0.1
153.95105	0.1
169.12279	0.1
183.13905	0.2
194.22032	0.1
197.11755	0.3
199.13261	0.2
209.11823	0.2
211.13350	1.9
212.13684	0.6
227.12903	0.3
235.08206	0.2
253.09398	0.4
279.23331	0.2
280.23874	0.1
281.23917	0.1
291.19690	0.2
292.20132	0.1
293.21237	0.4
294.21631	0.2
309.20703	0.5
310.21121	0.3
383.18665	0.1
399.14050	0.2
400.14627	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	740.4927
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	0.3
61.98699	100.0
62.98402	0.2
64.27216	0.1
65.32861	0.1
81.03345	0.1
82.90637	0.0
98.20669	0.1
117.32150	0.1
175.92812	0.1
225.16008	0.1
271.06134	0.2
433.11484	0.2
607.83282	0.1
678.50317	0.1
679.49957	0.5
680.50433	1.1
681.51489	0.1
740.49200	1.3
741.49451	0.4
757.29144	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	740.3707
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01241	0.3
61.48196	0.1
61.98698	100.0
62.85678	0.1
71.01243	0.2
71.49999	0.1
84.51649	0.1
102.38255	0.1
119.04898	0.2
125.47115	0.1
125.69205	0.1
163.03954	0.2
240.02557	0.1
250.91959	0.1
279.23337	0.2
280.23657	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.2969
Annotation	Unknow
Peak:m/z	Relative Intensity
60.20648	0.8
61.94776	0.8
61.98677	1.0
65.49620	0.8
70.98368	2.4
75.55677	0.8
109.02803	1.9
115.80397	1.0
125.51852	0.9
133.02864	13.2
134.03627	1.3
149.02364	1.0
158.31705	0.9
165.01808	0.9
175.03949	2.5
177.01833	4.8
199.03885	1.1
201.01857	1.7
203.03407	1.5
211.03674	0.9
226.51810	1.0
239.07111	1.5
241.04932	1.6
255.06630	1.0
265.05045	1.9
267.06668	2.3
269.04532	1.5
282.05283	1.3
283.06122	4.6
284.03113	1.1
297.04068	6.4
298.04822	6.9
299.05573	10.8
300.05823	1.6
309.04050	2.0
310.04727	2.6
311.05597	45.4
312.06357	33.2
313.06912	2.7
323.05505	3.7
324.05975	1.2
325.03506	1.2
325.06836	1.6
327.04877	1.7
338.04300	1.5
339.01080	1.7
339.05060	19.9
340.05490	2.2
341.06506	3.3
343.15353	1.4
344.05261	9.5
351.04944	2.0
353.06445	2.1
354.07272	1.0
367.04507	2.0
368.05206	1.6
369.06061	10.4
370.06924	1.2
375.26273	1.1
393.09879	1.8
402.05881	1.8
434.30490	0.9
447.09134	1.2
459.09286	1.3
465.11206	1.1
509.18521	2.2
521.18121	3.3
522.19073	2.3
535.20300	1.1
537.17401	2.0
549.17828	1.7
550.18384	1.1
563.19147	1.9
580.19092	1.3
619.25439	53.4
620.25635	9.5
649.26508	30.2
650.26434	4.9
661.26434	2.2
679.27551	2.3
703.27313	1.6
721.28589	8.8
722.28906	1.8
739.29651	100.0
740.30023	22.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.2968
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65496	0.6
57.01617	0.7
59.01249	7.6
61.98698	7.4
62.81612	0.6
70.40556	0.6
71.01252	1.8
71.29842	1.4
72.99170	0.7
73.02795	0.8
76.15690	0.6
78.95770	1.3
79.01748	0.7
80.96373	1.0
83.01240	1.0
83.11344	0.6
83.19777	0.6
85.02805	0.9
87.00736	0.8
93.03265	0.7
95.01273	0.9
96.95884	1.9
101.02285	1.6
109.02861	3.5
113.02312	1.0
125.02341	5.1
132.02063	1.0
133.02846	17.1
134.03635	1.6
137.02338	0.9
143.73436	0.7
146.03517	0.6
152.74271	0.6
159.67213	0.6
161.02321	1.9
163.00249	2.1
163.07568	1.0
165.01804	0.8
167.03369	2.8
170.44377	0.7
174.02991	0.9
175.03912	2.8
177.01817	1.5
187.03864	0.9
188.04729	0.7
189.01836	1.7
193.01364	0.9
197.04335	1.0
200.04535	0.9
201.01868	2.2
201.05563	1.1
211.03935	0.8
211.13324	1.3
213.01740	0.8
213.05377	1.5
215.03481	1.3
215.06958	1.0
225.05588	0.8
227.03441	1.5
231.02849	1.3
237.05618	1.0
239.03365	1.0
240.04362	0.8
241.04869	1.2
243.02907	1.5
255.02911	0.9
265.04944	1.0
269.04608	1.9
270.05365	0.9
279.23260	1.2
283.02463	0.9
284.03317	7.7
285.03970	6.4
293.04477	1.0
296.03241	1.0
297.04004	10.9
298.04800	45.1
299.05286	4.9
307.06094	1.0
309.04187	3.5
310.04623	1.9
311.05615	6.3
312.06473	4.9
313.03491	2.9
321.03970	0.9
322.04730	1.8
323.02063	0.8
323.05603	11.9
323.09036	1.4
324.06039	1.3
325.03458	1.9
325.07080	0.8
327.04861	1.8
330.03729	3.2
335.05627	1.2
337.03564	1.5
337.07037	2.7
338.04190	0.8
339.05057	3.3
349.03470	0.9
349.07224	2.5
350.03955	0.8
350.07803	1.3
351.05002	6.1
351.08719	3.6
356.05383	1.0
363.04956	1.1
365.06628	1.2
369.06012	1.6
377.06503	0.9
379.04453	17.8
379.08301	1.6
380.04910	2.4
381.06009	1.0
382.14090	1.6
391.08133	2.1
393.05823	1.0
399.21774	0.8
409.05432	9.7
410.05786	1.0
411.21786	1.0
421.05432	0.9
447.09192	6.1
447.14700	1.1
465.15924	0.8
467.16995	1.0
479.16888	2.3
507.16864	1.0
577.24176	2.4
589.24249	2.9
601.24432	1.3
617.24268	1.2
619.25452	57.6
620.25732	9.5
631.25305	2.4
649.26483	36.6
650.26794	5.3
661.26404	2.3
679.27405	2.8
703.27319	1.7
721.28577	10.7
722.28973	1.4
739.29657	100.0
740.29926	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	739.2968
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61663	0.5
59.01242	5.9
59.96761	0.5
61.98694	6.6
65.00201	0.8
69.46061	1.3
69.46466	3.8
71.01257	1.0
76.92268	0.5
78.95766	1.1
79.01768	0.6
80.96394	0.8
85.02836	1.4
93.10171	0.5
96.95891	1.6
107.01292	0.8
109.02863	1.9
113.02335	1.0
121.02859	2.9
122.73421	0.5
125.02281	0.9
133.02846	10.1
135.04416	2.2
147.04512	0.8
149.02380	1.5
152.99596	0.7
161.02396	0.9
163.00282	1.9
163.03905	2.6
165.01839	2.7
175.02568	0.8
175.03839	3.4
177.01898	1.0
191.01894	0.9
191.03519	0.8
193.01384	0.7
199.03993	2.4
201.01834	1.2
211.04004	0.8
211.07571	0.6
213.05376	0.7
225.05533	1.1
227.03381	1.0
227.07199	0.6
240.04291	1.4
241.05098	1.3
253.05190	0.8
255.02744	0.8
255.06641	1.1
269.04593	2.0
279.23364	0.9
281.04587	1.0
284.03192	4.8
285.04031	9.5
290.02667	0.6
297.04062	12.3
298.04721	11.3
299.05606	28.8
300.05850	1.9
309.03873	1.4
309.20685	1.4
311.05615	7.7
313.03354	0.6
325.03552	1.0
327.05090	100.0
328.05466	7.3
330.03714	2.9
337.03525	2.2
339.05127	12.5
340.05554	0.8
341.06650	1.3
352.27756	0.6
355.04724	0.7
357.06155	58.2
358.06503	5.2
369.06186	3.9
387.07071	2.2
393.06372	0.9
411.07220	5.0
619.25275	0.7
721.28571	3.1
739.29626	32.7
740.30035	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	739.2965
Annotation	Unknow
Peak:m/z	Relative Intensity
58.04536	1.1
59.01234	5.9
61.77686	1.1
61.98695	21.6
71.49780	1.7
85.21026	1.0
89.02340	1.6
92.78988	1.0
101.02351	1.1
111.87206	0.9
121.02847	1.5
131.06044	1.0
133.02867	7.4
149.02364	1.2
151.00220	1.3
152.90218	1.0
161.02435	1.1
163.00241	2.9
163.03918	1.6
175.03903	2.6
177.01852	1.8
178.99690	1.7
193.01308	1.4
193.62154	1.1
199.04024	2.2
199.13316	2.9
201.01869	2.4
209.11760	3.3
211.13359	9.6
227.12764	5.1
229.05042	1.2
241.05025	2.7
253.04913	1.7
253.09242	3.2
255.02910	6.4
269.04495	5.7
281.20081	1.2
283.02444	2.2
284.03299	6.9
285.04013	13.2
286.04346	1.7
291.19608	2.6
292.20041	1.5
293.21167	7.7
297.04047	19.2
298.04773	25.7
299.05457	8.9
300.05698	1.7
309.03961	1.2
309.20642	2.4
311.01895	3.1
311.05643	4.8
312.06140	1.4
313.03513	29.1
314.03876	2.3
324.02692	1.7
325.03555	2.9
326.04172	7.5
327.05060	55.1
328.05618	5.2
330.03906	1.8
339.05212	5.7
356.05258	5.9
357.06104	39.0
358.06534	3.0
369.06232	2.1
398.83670	1.2
399.07138	1.1
429.08124	3.6
446.08456	28.8
447.09256	100.0
448.09717	7.8
619.24969	3.6
679.34448	1.4
739.29541	14.2
739.41315	2.0
740.29584	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	739.2607
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70558	0.4
59.01249	6.5
61.98696	1.4
70.64903	1.2
71.01244	2.6
73.02813	3.2
73.06592	0.4
76.82864	0.4
83.01231	0.7
99.98587	0.4
101.02322	2.0
108.02044	6.0
109.02853	0.8
113.02306	0.9
120.62101	0.4
121.02850	1.4
123.04392	3.1
124.94833	0.5
145.02850	1.5
146.03625	1.4
147.04395	1.3
149.02304	0.5
150.03107	1.3
159.04443	1.4
161.02298	0.7
162.03142	0.5
163.03871	0.9
164.04645	0.5
165.05487	1.1
165.62125	0.5
185.02333	0.5
187.03885	0.6
202.43294	0.4
215.18216	0.5
233.06125	0.7
233.09508	0.5
234.06911	0.5
247.07678	0.7
248.08427	0.5
249.05421	1.1
249.09216	0.6
251.07162	1.0
259.07724	0.8
261.05536	1.6
262.06189	1.1
263.07156	0.8
264.04083	0.5
264.07831	0.5
265.04965	0.5
265.08649	1.4
266.05966	0.5
266.09384	1.1
267.06522	0.5
267.10202	0.5
275.07196	1.5
276.07809	0.8
277.05078	2.9
277.08643	2.1
278.05728	1.4
279.06531	1.7
280.07471	2.1
286.06210	0.5
287.07166	1.1
288.07968	0.6
289.05045	2.5
289.08231	0.8
290.05817	1.4
291.06488	1.2
292.07251	1.1
293.08176	1.9
294.08926	3.5
295.09671	2.4
303.06580	1.2
304.07397	1.4
305.08197	3.6
306.08856	2.0
307.06143	1.2
307.09787	2.0
308.06799	2.2
308.10123	1.0
309.11453	0.5
310.11929	0.6
317.08139	0.7
319.09811	0.9
320.10480	1.3
321.07697	1.3
321.11127	1.0
322.08417	8.7
323.09201	21.1
324.09595	2.8
333.07565	1.2
334.08304	0.8
335.09348	1.2
336.09998	1.1
337.10797	17.0
338.11511	10.4
339.11819	1.3
345.07562	0.8
348.09991	0.9
349.10803	0.9
351.08530	2.1
351.12390	1.1
352.09296	0.5
353.13821	0.5
363.08557	1.2
365.10419	2.1
366.11081	7.9
367.10413	0.5
370.10568	1.3
378.11115	1.3
379.12054	0.9
380.12381	0.6
381.13409	24.1
382.13812	2.4
393.13263	1.4
395.08939	0.6
397.10593	1.1
407.09332	0.8
408.09802	0.8
409.10635	0.5
413.13986	0.6
423.12613	0.8
424.09079	0.8
425.10187	1.2
426.10956	1.3
427.11771	1.4
429.13153	0.9
438.10815	0.7
439.11719	4.0
440.12375	0.8
441.13626	3.0
442.14468	2.1
444.15808	0.6
451.11923	1.3
453.13385	0.7
454.14426	1.4
455.14941	1.2
456.15802	1.5
457.12772	4.9
458.13095	1.1
459.18365	0.8
465.42654	0.5
469.12320	4.2
470.13269	1.3
471.18613	0.7
472.15292	3.4
473.16022	0.7
481.16553	1.1
484.15225	2.9
485.15887	0.7
487.17603	18.7
488.17969	3.0
499.17621	17.9
500.18042	2.6
517.18622	100.0
518.18939	18.0
535.19922	0.6
630.31305	0.6
736.60614	0.6
736.73486	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.2093
Annotation	Unknow
Peak:m/z	Relative Intensity
54.91706	0.5
57.07866	0.5
59.01242	0.8
68.99654	0.6
71.13514	1.2
77.03853	0.6
88.52536	0.6
88.99345	0.5
108.40559	0.6
109.02823	2.0
121.02830	1.6
131.70555	0.5
133.02863	8.1
135.04405	1.6
137.02307	0.7
147.04430	1.3
147.98586	0.6
149.02364	1.3
161.02307	0.7
163.00294	1.2
163.03905	1.8
165.01820	2.6
167.92186	0.6
173.02661	0.6
175.00337	0.8
175.03905	2.3
177.01892	1.5
178.99797	1.6
181.00302	0.6
183.83083	0.5
191.03413	1.2
191.41620	0.6
193.01410	0.7
199.03935	1.8
201.01814	1.6
213.05557	1.5
217.04922	0.5
225.05501	0.7
241.05011	0.9
243.02998	0.7
253.05208	0.8
255.06656	1.1
269.04559	1.8
271.06049	0.7
281.04556	0.8
284.03256	3.3
285.03992	6.2
297.04071	9.2
298.04788	11.3
299.05609	36.6
300.05750	3.2
309.04132	1.7
311.02020	1.5
311.05670	4.7
313.03552	17.0
314.04001	1.4
323.05670	1.2
325.03619	1.0
326.04187	0.8
327.05087	99.5
327.99319	0.7
328.05460	10.4
330.03824	2.0
339.05099	8.8
340.05411	0.8
341.06567	1.0
357.06152	27.5
358.06427	3.0
369.06049	2.7
395.07489	0.8
410.78201	0.7
413.08569	1.8
431.09793	20.9
432.10202	2.9
473.10980	0.9
527.36206	0.8
559.66901	0.6
739.20947	100.0
740.21326	19.9
740.34564	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	739.2455
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97903	0.4
55.01747	0.8
58.00464	0.8
59.01249	100.0
60.01584	0.9
61.98695	1.3
69.03330	1.7
71.01254	33.9
72.99181	1.3
73.02818	48.8
74.03174	0.6
75.00759	0.6
81.03329	0.5
83.01255	13.0
83.20128	0.4
85.02810	4.1
87.00767	1.1
89.02319	7.7
95.01277	2.0
97.02829	0.6
99.00789	0.5
101.02323	39.9
102.02690	0.5
113.02324	14.1
114.76702	0.4
119.03385	3.7
125.02336	2.0
131.03404	4.2
136.01575	1.2
139.94351	0.4
143.03391	3.8
149.04457	7.1
151.03915	1.2
155.03456	1.2
156.98965	0.4
161.04457	11.8
174.26514	0.4
186.92052	0.4
203.05550	2.0
221.06572	3.1
237.98593	0.5
259.09702	0.4
289.96918	0.4
297.06448	0.4
358.53854	0.4
374.43225	0.4
431.09720	0.4
504.34927	0.4
530.54645	0.5
535.93555	0.4
613.21771	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.3558
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	0.1
60.69608	0.1
61.98703	100.0
62.98409	0.2
62.99121	0.1
71.01260	0.1
89.02319	0.1
98.68938	0.1
101.76110	0.1
277.21808	0.1
279.23251	0.7
288.24893	0.1
348.59024	0.1
397.13458	0.1
398.13806	0.1
399.14023	0.2
400.14200	0.1
421.41537	0.1
551.32800	0.1
738.50928	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.5082
Annotation	PE(18:2(6Z,9Z)/18:2(6Z,9Z))
Peak:m/z	Relative Intensity
53.50122	0.4
55.54145	0.5
55.69252	0.5
59.01244	1.8
63.34641	0.4
71.30729	1.1
78.95777	12.2
88.28870	0.5
88.86549	0.4
94.36337	0.5
96.96835	1.4
152.99469	11.2
217.00226	0.6
224.51753	0.5
248.31615	0.5
261.22174	0.5
261.96884	0.4
277.21539	0.5
279.23273	100.0
280.23639	7.3
280.62613	0.5
402.24475	0.7
458.26691	3.2
476.27927	1.4
738.50757	48.2
739.51050	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	739.2087
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	2.3
66.29679	1.0
76.97450	1.0
77.03876	1.2
98.20564	2.5
109.02849	1.7
114.19046	1.1
121.02863	1.5
121.19241	1.0
133.02837	10.9
135.04352	1.5
137.02280	1.0
163.00224	1.9
163.03897	1.1
165.01872	3.6
165.48354	1.1
173.02209	1.0
175.00301	1.3
175.03912	2.2
177.01860	2.0
178.99724	2.1
199.04027	2.4
201.01866	1.9
213.05481	1.9
225.05559	1.4
231.06306	1.3
255.06525	2.0
269.04648	1.6
269.30853	1.0
270.05106	1.2
281.04645	1.4
284.03229	5.0
285.03925	11.0
297.04004	13.7
298.04794	23.7
299.05551	40.3
300.05936	3.5
309.04028	4.1
311.01959	2.9
311.05615	5.3
313.03555	19.4
314.04025	1.3
316.71451	1.1
325.03275	2.3
327.05081	100.0
328.05420	11.8
330.03851	4.1
338.49585	1.1
339.05133	9.8
357.06119	31.7
358.06381	4.0
369.06122	3.0
413.08810	5.4
431.09787	22.2
432.10129	1.9
473.10773	3.1
577.15668	17.5
578.15570	2.0
620.05066	1.2
739.20886	97.6
740.21173	20.2
740.33215	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	738.2606
Annotation	Unknow
Peak:m/z	Relative Intensity
53.29890	1.5
58.02846	13.5
70.02847	5.3
71.50250	1.5
72.00768	4.6
89.80077	1.5
91.05379	3.7
117.12830	1.6
122.71607	1.5
137.36821	1.8
147.04419	24.8
164.07068	68.5
165.07365	2.8
206.08156	100.0
207.08472	4.0
209.44293	1.5
311.05548	1.8
402.48615	1.6
474.71542	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	738.3338
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61549	0.5
54.30209	0.5
56.41914	0.5
59.01247	93.2
59.85140	0.5
60.01588	0.9
60.61611	0.5
61.98697	100.0
69.24768	4.9
71.01253	4.7
73.02785	1.0
75.51014	0.5
78.95792	0.6
83.01245	0.7
85.02820	3.2
87.00774	0.7
88.55333	0.5
89.02281	0.9
96.95874	1.2
101.02316	2.8
113.02278	1.5
152.00977	0.5
161.04297	0.5
191.01810	0.7
211.13258	0.8
279.22867	1.0
327.04517	1.4
397.27090	1.3
429.25684	1.6
446.07925	0.8
512.56836	0.6
571.32831	6.8
572.31622	1.6
589.32312	1.6
631.34808	11.6
632.34906	3.8
633.31232	0.7
694.38385	0.9
727.15112	0.8
739.28174	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.3552
Annotation	Unknow
Peak:m/z	Relative Intensity
57.57365	0.1
59.01241	0.2
61.66655	0.1
61.98699	100.0
62.77753	0.1
62.98409	0.1
63.90822	0.1
71.01276	0.1
78.07429	0.1
87.23513	0.1
98.20546	0.3
101.02319	0.1
120.38733	0.1
130.40262	0.1
131.96432	0.1
146.11067	0.1
156.42984	0.1
156.96017	0.1
195.37604	0.1
203.09811	0.1
274.96997	0.1
277.21747	0.1
278.22083	0.3
352.78082	0.1
399.14282	0.2
482.92032	0.1
557.95294	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	737.5207
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03336	0.7
58.00455	2.5
59.01250	10.0
61.98701	2.4
69.03336	0.8
69.34396	2.4
69.34812	3.4
71.01254	15.6
72.99195	0.9
73.02814	13.9
75.00743	2.2
78.95792	0.9
83.01257	1.0
85.02833	3.5
89.02314	3.7
92.58414	0.7
95.01271	0.8
95.26927	0.7
97.02816	1.3
101.02308	6.4
104.97094	0.7
113.02342	9.2
119.03424	1.4
125.05959	1.7
139.07564	1.1
155.14294	1.2
161.04414	1.7
169.15764	0.7
171.10164	5.4
197.11815	1.2
253.81438	0.9
257.77264	0.8
263.23831	4.9
265.25320	2.6
275.23676	4.0
277.06552	0.9
277.21738	6.4
279.23282	100.0
280.23636	8.6
291.23264	2.7
293.24860	64.7
294.25156	6.1
295.22736	18.0
303.23254	6.9
304.23450	1.1
305.24387	1.0
321.24368	17.8
322.24664	2.3
333.24289	2.9
337.23904	2.4
351.25479	3.3
375.25522	1.3
441.29120	1.0
737.40991	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.5183
Annotation	Unknow
Peak:m/z	Relative Intensity
54.68308	0.2
58.02835	0.3
58.48309	0.2
59.01247	17.1
61.98691	0.3
69.61303	0.2
81.03329	5.5
83.04891	16.2
84.05216	0.3
94.85739	0.2
98.20563	0.5
100.07558	0.3
107.06008	0.4
108.04400	0.4
125.07064	1.3
126.05470	0.6
143.08122	0.5
183.15007	0.2
207.15005	1.1
213.86583	0.2
224.17627	2.6
225.16026	13.8
226.16295	0.8
242.18660	0.7
250.15735	0.3
268.16727	0.3
286.44662	0.2
290.22382	0.3
291.20755	0.3
309.21823	0.7
324.26501	0.6
333.22891	0.9
339.27716	0.2
341.29105	0.7
367.27063	1.3
385.27988	0.2
407.34238	0.3
425.92337	0.2
433.31824	1.1
434.32114	0.3
450.34430	1.5
451.32840	7.5
452.33209	1.3
516.39435	0.3
550.43378	1.1
559.40039	0.3
565.44781	0.3
567.45599	0.2
577.40826	0.2
593.43768	0.5
649.51251	0.2
659.48596	1.9
660.49030	0.5
677.49646	100.0
678.49927	22.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.3963
Annotation	Unknow
Peak:m/z	Relative Intensity
53.19318	2.2
54.23305	2.0
54.42633	2.1
59.01252	23.5
61.98685	4.1
69.03334	2.4
70.65000	8.2
71.01254	29.5
72.99170	2.5
73.02813	9.0
76.66492	2.4
78.95787	2.9
83.01257	4.8
85.02832	8.9
87.00743	17.3
89.02313	17.5
95.01274	3.5
96.26575	2.2
97.02831	5.9
98.20510	2.2
101.02317	25.0
113.02330	11.8
119.03403	6.3
125.02311	10.6
130.71913	2.9
143.03419	4.7
149.78149	2.6
161.04442	6.8
179.05490	3.8
209.18433	2.4
221.06657	2.7
235.08199	11.8
253.09309	6.1
279.23288	100.0
280.23666	11.5
287.07794	2.5
305.08630	6.6
305.61057	2.6
397.13470	65.9
398.13873	5.3
415.14468	43.6
416.14935	3.1
641.93445	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	737.1938
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52714	1.0
58.68015	1.0
58.69387	0.8
59.01246	6.3
60.70095	0.9
65.00188	1.4
71.01259	2.4
83.01262	1.4
96.95895	3.3
98.20593	2.6
101.02325	1.6
107.01298	1.6
107.59533	1.1
109.02834	13.4
113.74181	1.1
117.60757	0.9
119.04945	1.6
133.02847	19.1
149.02357	3.1
151.00288	3.5
161.02341	3.6
163.00313	4.8
163.03818	1.0
165.02081	1.0
167.03389	1.4
175.00195	1.4
175.02467	1.6
175.03923	5.9
177.01805	3.4
195.06425	1.0
199.03961	2.9
200.01041	2.1
201.01837	4.8
202.99770	2.8
216.72552	1.0
217.05055	1.5
218.99304	2.8
219.02934	2.7
227.03548	1.1
233.04539	9.0
241.04979	2.3
243.03113	1.8
245.00874	4.9
253.05052	2.2
255.03058	2.1
257.04520	20.0
258.04697	1.6
267.06833	1.0
269.04572	2.5
275.05591	13.2
277.05042	1.1
284.03278	3.7
285.04047	100.0
286.04367	7.9
296.03159	1.3
297.00684	1.9
297.04028	34.0
298.04456	6.4
299.05615	4.0
301.03540	51.8
302.03931	2.8
309.04037	11.2
310.04413	2.4
311.01987	2.2
311.05630	10.8
312.02487	1.3
313.03448	6.1
323.05591	1.4
324.02792	2.3
325.03534	14.3
327.05167	10.9
328.05618	1.6
337.03519	16.1
338.03931	1.6
339.04947	11.7
351.05087	1.6
357.06073	2.2
367.04572	5.6
367.08289	2.0
385.05701	3.8
393.06250	5.4
411.07208	53.8
412.07550	6.7
447.09286	20.0
448.09625	1.5
459.09512	2.6
475.08893	1.4
487.08722	2.9
499.08810	6.9
501.10361	3.7
529.09729	2.9
547.10718	3.3
555.11627	3.2
573.12494	42.3
574.12939	5.4
575.14056	19.8
576.14435	2.8
737.19739	3.7
738.19470	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	736.2093
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76490	0.7
55.01744	0.8
59.01247	100.0
60.01573	1.1
62.13685	0.7
63.44531	0.7
69.03312	1.0
70.11130	3.2
71.01256	5.8
73.02821	1.4
83.01256	1.1
85.02824	4.5
89.12624	0.8
96.95885	1.1
98.19936	1.2
101.02293	3.5
113.02325	2.4
119.04934	1.5
127.03932	1.0
135.04448	1.0
140.05020	1.1
144.04546	1.1
145.04988	1.5
147.04414	27.1
148.04750	1.5
158.05978	3.6
161.04501	4.6
161.05800	1.1
186.05569	0.8
188.05536	1.0
189.05521	2.2
203.05672	1.0
230.06729	1.1
269.10223	1.8
276.08688	10.7
277.09171	0.8
294.09448	0.9
336.11014	4.8
616.93506	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	736.3402
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01240	1.1
61.98700	100.0
62.21663	0.1
65.55761	0.1
69.79944	0.7
71.01255	0.8
73.02818	0.2
75.55730	0.1
78.95777	0.1
85.02812	0.1
87.00768	0.2
89.02310	0.7
101.02341	0.6
113.02338	0.2
119.03360	0.2
125.02353	0.2
206.40422	0.1
209.11794	0.1
211.13345	0.4
225.11223	0.2
227.13031	0.1
235.08269	0.3
236.46164	0.1
238.21573	0.1
269.20795	0.1
277.21695	1.1
278.22003	0.8
291.19681	0.4
397.13580	1.3
398.13712	1.0
415.14670	0.5
416.15082	0.4
736.37207	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.3808
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00470	1.3
59.01250	34.2
61.98696	5.2
66.63779	1.2
69.03324	1.5
71.01254	31.9
71.15543	1.6
71.15862	1.9
72.99169	3.7
73.02816	8.6
81.03330	2.9
83.01260	4.0
85.02831	12.5
87.00751	27.4
89.02319	30.2
90.64500	1.3
95.01234	3.5
97.02814	5.4
99.00744	2.0
101.02325	36.3
101.49019	1.2
113.02337	22.1
115.03918	2.2
119.03378	8.5
125.02325	18.8
140.85851	1.2
143.03427	9.4
149.04372	2.2
161.04482	8.6
162.61125	1.5
167.03438	1.5
179.05515	5.6
218.74359	1.2
221.06534	1.5
235.08185	21.1
236.08566	1.4
253.09268	9.3
263.07663	1.9
277.21716	100.0
278.22070	8.3
287.07666	5.7
305.08795	7.5
305.11783	1.5
307.64774	1.4
309.21948	1.3
316.01138	1.3
323.09830	2.8
397.13489	83.6
398.13770	8.7
399.82678	1.5
399.88220	1.2
415.14569	67.3
416.14862	4.4
675.35791	2.0
736.92871	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	735.3023
Annotation	Unknow
Peak:m/z	Relative Intensity
71.20486	2.5
93.03329	6.7
108.02035	3.0
109.02869	1.9
121.02840	11.9
122.03634	15.7
123.04408	2.5
132.02080	2.1
133.02821	5.6
134.03648	8.1
135.04391	3.2
136.01541	2.2
137.02328	2.1
145.02835	4.1
146.03635	4.0
146.61752	1.0
147.04376	4.1
149.02348	23.4
149.05966	7.2
150.03128	100.0
151.03671	5.2
158.03719	1.2
159.04390	1.8
161.02350	1.5
161.05968	4.1
162.03157	3.2
163.03911	1.7
164.04672	4.8
165.05481	88.6
166.05833	5.6
177.05449	2.6
179.07088	5.5
180.04146	6.3
181.04927	2.0
195.06560	38.8
196.06827	1.3
215.03558	1.0
225.05447	1.5
237.22853	0.9
238.06435	1.5
239.07124	2.1
240.04358	1.0
253.05013	1.5
254.05740	3.9
255.06548	3.5
257.08249	1.2
265.87964	1.0
266.05823	2.0
267.06631	3.8
268.07339	4.0
269.08060	3.9
269.10892	0.9
270.08813	1.4
280.07278	1.6
281.08124	3.5
282.08908	4.6
283.09647	2.4
285.11496	1.1
286.04684	1.0
292.07666	1.2
293.08118	2.3
294.08798	2.2
295.06766	1.6
295.09741	9.5
296.10281	1.9
297.11200	1.1
298.08337	1.3
300.06464	1.4
309.11386	3.8
311.09552	1.3
311.12796	1.2
312.10181	2.2
313.10660	4.4
313.82724	1.0
314.07925	2.3
325.10947	2.3
326.11414	1.4
327.12222	1.5
339.12344	2.6
343.11841	1.1
361.16443	1.9
449.15994	3.8
463.17386	2.7
475.17697	2.5
477.19037	2.3
479.17035	1.9
489.19006	3.3
491.17075	2.9
493.18750	2.0
494.19556	5.7
495.20023	2.0
505.18829	1.5
506.19516	2.7
507.20096	3.8
508.20923	2.5
509.21756	28.8
510.22275	6.3
521.21808	38.0
522.22144	7.2
523.23016	2.5
563.23169	6.3
564.22742	1.3
575.22601	3.1
646.57251	1.3
657.27014	25.0
658.27106	4.9
669.27008	40.5
670.27344	9.6
681.26807	7.7
687.28186	15.0
688.28693	2.8
696.42603	1.1
699.28302	6.5
700.28333	1.3
705.29114	18.9
706.29443	4.2
717.29181	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	733.2714
Annotation	Unknow
Peak:m/z	Relative Intensity
57.46792	1.7
58.00458	5.7
59.01252	100.0
62.48700	1.6
64.80752	1.5
71.01254	81.9
71.04719	2.6
71.05027	2.2
71.28904	1.7
72.01598	1.6
72.99171	4.8
73.02805	3.9
83.01269	3.5
85.02834	16.0
87.00734	3.8
89.02317	83.5
93.03334	4.5
95.01277	6.5
101.02323	33.0
108.02057	3.8
113.02329	29.3
115.49374	1.9
119.03397	32.0
121.02841	6.9
122.03620	17.3
123.04411	5.9
131.03391	4.0
133.02815	2.1
143.03343	10.4
145.31541	1.8
146.03662	2.2
147.04457	1.9
149.02347	57.5
149.04378	3.7
150.03131	90.1
151.03569	3.9
161.04489	15.7
162.03111	2.7
164.04700	16.0
165.05479	82.0
166.05797	2.3
175.03886	3.2
179.05566	53.5
179.07060	9.5
180.04190	4.6
195.06552	41.8
209.50926	1.8
239.00261	1.8
263.01123	1.8
283.09802	1.8
303.07248	1.7
312.09970	5.6
313.10782	4.9
314.23328	1.8
327.12378	41.1
328.12677	2.3
343.11832	36.7
344.12122	3.3
371.17841	1.8
375.14493	2.6
391.13913	5.6
489.17523	9.3
523.19745	14.9
524.20197	2.8
537.19684	29.0
538.20093	4.3
685.24890	34.1
686.26086	8.9
760.76178	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	730.3865
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	0.3
61.98700	100.0
62.98404	0.2
71.01259	0.2
71.51366	0.1
71.51745	0.1
75.20920	0.1
78.19615	0.1
81.58982	0.1
163.33582	0.1
270.25296	0.2
271.25467	0.2
297.91031	0.1
397.13611	0.1
398.14014	0.3
399.14038	0.4
400.14612	0.2
417.14847	0.1
539.79785	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	730.4018
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41425	0.2
59.01254	0.7
61.98699	100.0
62.07254	0.2
69.80782	1.0
74.22600	0.2
79.95602	0.3
80.96379	1.2
87.37836	0.2
89.33430	0.2
94.97952	0.3
121.71179	0.2
152.98531	0.2
164.98602	0.3
171.10159	2.0
172.10564	0.9
173.10716	0.6
225.00731	0.3
277.21881	0.6
278.22144	0.7
279.22516	0.5
304.69061	0.2
365.16327	0.2
430.65665	0.2
443.11682	0.2
693.05426	0.3
731.36731	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	730.4021
Annotation	Unknow
Peak:m/z	Relative Intensity
56.56836	0.2
59.01255	0.4
61.98700	100.0
64.65358	0.2
80.96407	1.1
98.19819	0.4
110.78400	0.3
122.83737	0.2
132.49040	0.2
171.10176	1.1
172.10506	0.8
172.34000	0.2
173.10785	0.3
225.00604	0.3
277.21725	0.9
278.22079	1.4
279.22400	0.5
316.94522	0.2
331.56912	0.2
441.54388	0.2
587.37726	0.2
719.65479	0.2
731.36731	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	727.4273
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	16.6
62.97243	0.3
70.42877	1.1
70.43239	0.3
71.01243	1.7
73.02789	0.3
77.81174	0.3
80.70447	0.3
85.02821	0.4
89.02315	1.1
101.02328	1.1
113.02328	0.5
119.03391	0.4
120.76936	0.3
125.09618	0.8
126.83262	0.3
127.11231	1.3
141.67215	0.2
153.09108	0.6
161.04533	0.5
171.10175	100.0
172.10500	4.3
204.90508	0.3
235.08278	1.6
253.09261	5.0
277.21716	51.2
278.22079	4.7
315.69281	0.3
407.19125	2.7
466.08176	0.3
472.31134	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.4553
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01238	5.4
61.98696	6.2
62.42167	2.8
67.00683	2.7
67.39391	2.7
71.49933	4.4
78.95779	100.0
93.09008	2.8
96.96849	9.3
129.09146	3.2
152.82867	2.6
152.99503	59.7
171.10002	3.1
174.99178	2.7
189.61264	2.4
195.71323	2.6
211.13382	3.9
211.51649	2.9
217.00311	3.7
271.53015	3.1
277.21875	3.2
279.23282	54.2
280.23569	6.9
281.24921	3.9
293.21375	7.2
295.22888	7.5
311.22269	12.6
415.22327	14.5
433.23318	5.9
447.21735	19.3
727.45721	28.1
728.46149	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	729.3905
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63860	0.3
59.01241	1.1
61.98690	1.1
62.89544	0.3
69.59882	1.7
71.01254	1.2
71.18091	0.3
72.99174	3.0
75.00741	100.0
76.01073	0.6
76.86465	0.2
84.03873	0.3
89.02332	0.9
97.02839	0.4
101.02324	1.3
102.61089	0.3
103.05447	0.3
105.94061	0.3
113.02315	0.5
125.02345	0.7
152.47446	0.2
162.18532	0.2
168.11696	0.3
211.97842	0.3
235.08101	0.3
255.23262	3.3
397.13486	7.0
398.13803	0.6
415.14767	1.7
653.37799	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.4272
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66361	0.4
57.03291	0.3
59.01246	20.7
61.98669	0.4
68.22382	0.4
70.53343	0.6
70.53698	0.4
71.01252	2.2
73.02832	0.4
77.76729	0.3
79.81631	0.3
83.01276	0.4
87.00745	0.7
89.02309	1.2
101.02320	1.9
113.02324	0.8
125.09515	0.4
127.07606	0.5
127.11176	1.1
142.39497	0.3
161.04465	1.1
171.10172	82.3
172.10524	3.5
187.56064	0.4
209.11679	0.5
235.08156	4.1
243.89101	0.3
253.09236	7.6
254.09595	0.6
275.19913	0.3
277.21707	100.0
278.22040	8.6
281.24780	0.8
292.98730	0.4
331.33118	0.4
358.55692	0.3
403.04227	0.4
404.37729	0.3
407.19183	1.1
427.04449	0.4
455.63379	0.3
471.47507	0.4
513.30536	1.0
566.10504	0.4
569.16815	0.3
584.68646	0.3
609.37311	0.4
652.98254	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.3329
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01237	1.9
61.98703	3.4
62.62082	0.7
71.48581	0.6
71.49809	1.0
96.08337	0.6
101.17422	0.6
107.04903	25.6
109.02812	0.6
118.09950	0.8
120.53091	0.7
120.53911	0.7
121.02840	10.9
122.03628	14.7
124.01575	2.8
133.02783	0.8
137.02338	2.5
138.25426	0.7
150.03148	1.2
151.03883	1.1
154.02618	2.9
182.02126	1.8
195.91435	0.6
201.45303	0.6
211.13301	0.9
227.06972	1.1
229.08652	39.0
230.09052	2.5
255.06631	1.6
272.06787	1.2
273.07672	41.5
274.08002	3.1
309.20718	1.0
311.54214	0.7
435.12933	100.0
436.13303	10.0
727.33087	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	727.1513
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65326	1.4
55.26249	1.1
69.69569	5.0
69.69993	2.4
71.01257	12.5
71.06171	1.3
72.99168	2.7
98.19764	1.3
102.99424	1.2
113.41850	1.3
115.00255	26.5
119.04908	21.3
133.01323	100.0
133.02756	9.3
134.01733	1.3
163.00304	2.5
163.03917	28.8
164.04242	1.4
165.01915	1.4
175.03926	2.3
233.04410	1.3
253.05070	1.8
279.05072	4.5
284.03192	4.8
285.04083	9.6
297.04037	13.7
298.04745	10.7
299.05569	8.3
311.05615	5.0
327.05072	39.7
328.05365	2.3
339.05066	5.1
357.06082	29.5
358.06241	3.0
429.08170	2.9
447.09283	91.1
448.09555	11.0
462.45230	1.3
654.58661	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	727.209
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54752	1.9
52.51135	1.6
59.01251	100.0
60.58922	2.0
61.79995	1.6
61.91305	1.6
69.79260	3.1
69.79675	8.7
71.01260	22.9
73.02821	28.4
82.77075	2.1
83.00805	1.7
83.01237	10.3
85.02832	4.2
85.99995	3.1
89.02339	3.9
101.02328	32.5
113.02348	10.6
119.03371	3.0
121.02868	3.9
123.04392	7.2
137.63622	1.7
143.03380	3.7
149.04453	8.6
160.32549	2.0
161.04474	17.4
221.06563	9.7
267.08667	4.4
269.10391	4.4
285.09723	3.4
327.10800	7.6
462.18744	2.1
519.19189	1.9
525.58215	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.3167
Annotation	Unknow
Peak:m/z	Relative Intensity
55.97492	1.0
59.01250	19.6
61.98686	5.5
64.45831	1.3
69.62296	1.1
71.01248	3.4
71.51321	1.7
78.95769	1.4
80.96365	1.3
85.02876	1.3
85.81064	1.3
88.98605	1.6
93.03324	1.4
96.79289	1.1
96.95883	1.9
101.02318	1.7
113.02302	1.2
115.28916	1.4
117.03342	5.7
149.02304	1.4
161.02345	1.4
175.02435	2.4
175.03894	1.4
182.51122	1.2
184.79112	1.4
189.01707	1.3
203.16359	1.2
268.03677	1.4
281.04547	4.8
282.05249	12.3
283.06021	3.1
291.19614	5.2
295.06073	4.4
296.06635	2.5
307.05969	4.2
309.07794	9.2
311.05685	2.2
321.07657	2.0
323.05463	2.4
328.05884	2.0
335.05640	2.2
337.07053	8.7
349.07104	3.0
365.13608	1.6
367.08136	3.3
397.13187	3.6
415.14395	1.7
433.10193	1.5
443.24335	2.7
563.26343	1.9
577.27789	2.1
587.26599	1.9
605.27515	47.3
606.27618	8.4
617.27594	2.5
635.28406	14.6
636.28802	3.1
647.28638	2.0
689.33521	3.7
707.30237	2.2
725.31604	100.0
726.31866	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	725.193
Annotation	Isomollupentin 7,2''-di-O-glucoside
Peak:m/z	Relative Intensity
50.84159	1.4
59.65659	1.3
64.02465	1.2
67.59848	1.7
69.56210	10.6
75.84103	1.4
96.95873	1.8
133.02832	6.1
175.03938	2.6
179.03358	1.8
191.03477	1.5
207.02744	2.0
225.05295	1.5
283.06171	3.5
295.06003	2.9
297.07416	3.1
298.04602	7.1
299.05521	8.5
311.05688	10.1
312.06381	32.6
313.07040	8.8
319.15646	1.3
323.05533	2.4
325.06931	3.4
327.05075	10.6
339.05173	13.6
340.05426	3.3
341.06464	5.6
344.05209	3.6
353.06577	13.6
355.04416	2.4
357.05951	2.4
365.06235	2.4
369.06104	38.0
370.06534	4.6
381.06085	6.1
383.07687	4.7
385.05704	2.3
395.07440	2.9
399.07129	34.3
400.07483	3.5
411.07248	4.5
429.08310	9.1
445.07910	1.7
455.09726	4.3
459.09213	4.3
473.10965	11.6
531.11340	3.9
545.12567	2.2
563.13995	39.8
564.14130	5.2
635.16418	13.5
639.04303	1.6
725.19263	100.0
726.19611	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	725.2666
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03322	7.4
57.86158	0.7
57.96597	0.7
58.61772	0.8
59.01243	2.6
61.98677	1.1
71.01256	4.2
71.49693	1.2
85.02853	1.7
85.37982	0.7
95.04915	1.7
96.95878	1.1
99.08034	39.7
101.02344	2.2
113.02311	2.6
123.04402	81.8
124.04757	2.4
127.07536	55.8
128.07878	2.2
128.51682	0.7
129.05469	39.4
130.36189	0.9
138.03148	1.9
153.05475	47.4
154.05844	2.0
158.11560	0.8
161.04472	3.6
164.80524	0.8
165.79742	0.7
171.06558	10.3
172.06938	0.9
189.07632	3.0
190.92198	0.8
285.09778	16.7
439.16006	0.8
457.17133	100.0
458.11517	1.3
458.17496	11.2
477.10068	1.1
601.36597	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.1938
Annotation	Kaempferol 3-xylosyl-(1->3)-rhamnosyl-(1->6)-galactoside
Peak:m/z	Relative Intensity
59.01259	1.1
59.21687	0.2
63.02000	0.3
63.02267	1.3
64.65244	0.2
65.00188	1.1
65.16227	0.2
70.98473	0.4
73.02805	0.5
75.36516	0.2
77.58613	0.2
83.01271	0.9
89.02291	0.2
95.01263	0.3
96.95883	0.3
101.02303	0.3
105.03335	0.5
107.01271	2.1
109.02829	0.8
121.02843	0.7
123.00640	0.2
133.02856	5.0
134.03622	0.2
135.04425	0.4
148.01646	0.3
149.02379	1.4
151.00282	4.7
152.00594	0.2
163.03859	0.2
171.04434	0.3
175.03932	2.0
176.04446	0.2
177.01862	0.4
185.06044	0.6
187.03946	0.3
189.05556	0.3
189.90929	0.2
195.04340	0.2
196.05148	0.2
197.05989	0.3
198.03136	0.4
199.03951	2.6
200.04576	0.3
201.01888	0.6
211.03935	1.0
213.05521	0.7
215.03445	0.4
217.05063	1.4
227.03532	1.1
229.04990	0.4
239.03427	0.5
240.04178	0.4
241.05014	1.0
243.02893	0.7
255.03038	0.7
256.03723	2.2
257.04456	0.9
267.03046	0.4
283.02509	0.4
284.03268	45.5
285.04028	100.0
286.04391	7.6
297.04291	0.2
298.04636	0.3
299.05859	0.2
309.03961	0.7
310.04327	0.3
327.05118	1.0
330.43512	0.2
357.06055	0.3
459.09268	0.4
488.97458	0.2
579.13739	0.3
593.15240	1.0
725.19330	68.0
726.19696	13.5
726.30249	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.1935
Annotation	Isomollupentin 7,2''-di-O-glucoside
Peak:m/z	Relative Intensity
53.66155	1.9
69.68496	14.2
98.20258	7.3
103.05555	2.1
117.03334	3.2
142.56523	2.3
246.44968	2.1
283.05978	4.6
295.06076	8.6
296.06863	31.1
297.07516	6.7
311.05573	5.1
323.05588	6.5
328.05835	3.3
353.06656	20.3
365.06662	3.3
383.07727	16.6
384.07907	2.5
407.73056	2.4
413.08627	6.4
515.11896	8.4
545.12878	5.5
563.14465	4.6
605.15271	3.5
635.16235	3.4
725.19342	100.0
726.18634	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	725.1935
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73216	1.2
57.05044	1.3
59.01232	1.9
59.02902	1.3
60.36264	1.5
61.04598	1.4
61.94988	1.2
70.18675	1.4
70.49951	2.0
70.50285	3.1
77.18522	1.2
85.02818	1.5
109.02812	2.6
116.87348	1.6
119.04918	1.3
126.67602	1.3
133.02826	12.2
135.04434	2.1
149.02364	2.5
161.02304	1.9
163.03975	2.8
168.59189	1.2
170.92624	1.2
175.03958	2.3
177.01855	3.3
191.03362	1.7
201.01656	1.9
205.05005	1.4
213.81909	1.5
227.03575	1.8
266.43079	1.4
283.06030	2.0
284.03293	1.8
285.04016	2.4
297.04019	5.8
298.04761	12.2
299.05594	10.9
309.04379	1.6
311.05618	14.7
312.06390	37.6
313.07086	9.8
323.05771	1.5
325.07095	1.4
327.05090	41.0
328.05521	3.9
339.05106	14.8
340.05505	4.1
341.06540	6.7
344.05255	3.2
351.05130	1.7
353.06580	4.6
354.07071	1.8
355.04495	3.4
357.06091	9.2
367.04428	2.8
368.05298	1.6
369.06119	47.5
370.06717	6.2
381.06146	8.8
385.05576	1.8
399.07172	43.3
400.07553	4.9
411.07089	6.2
423.07236	2.3
429.08206	9.4
441.08347	7.5
442.08282	1.5
443.09726	2.1
447.09293	23.8
448.09799	2.7
459.09302	14.4
473.10916	6.7
489.10504	2.7
497.23773	1.5
503.11923	2.4
531.11407	2.7
545.13074	2.5
546.67096	1.5
561.12476	2.2
563.14020	80.0
564.14636	12.1
621.14929	12.4
622.14600	2.3
635.15845	1.6
694.96851	1.4
725.19269	100.0
726.19629	21.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.4325
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03333	0.8
59.01247	8.8
60.86002	0.8
61.98682	1.5
71.01241	5.8
71.51689	1.3
73.02778	1.6
74.93481	0.9
78.95767	1.1
83.04891	1.2
85.02815	1.3
87.00739	1.2
89.02315	4.0
97.02795	0.8
101.02309	4.6
111.08082	0.8
113.02321	2.6
119.31571	0.8
128.68303	0.9
145.40169	1.0
161.04456	2.6
163.11093	1.4
165.12779	8.2
183.13818	100.0
184.14113	4.6
185.11752	1.6
199.13394	4.1
209.11783	9.9
227.12840	17.6
235.08192	2.2
253.09256	7.0
277.21704	52.8
278.22067	3.9
389.65781	1.0
393.19849	1.0
445.20660	6.9
447.01453	1.0
463.21927	5.6
464.22308	1.1
686.19366	1.0
705.38776	0.9
723.43237	56.2
724.43646	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	723.432
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35931	1.1
58.18422	1.1
59.01245	22.1
61.98691	1.4
64.94086	1.0
66.32585	1.0
69.48176	4.1
69.48605	4.6
71.01246	4.7
73.02813	2.2
78.95760	1.1
89.02319	3.1
98.47240	1.2
101.02303	4.6
113.02270	1.6
161.04359	1.6
165.12758	7.0
183.13814	100.0
184.14162	5.0
199.13329	2.3
209.11768	4.4
227.12769	9.2
235.08147	3.8
253.09239	6.5
277.21692	46.3
278.22101	4.3
279.23206	1.5
301.22147	1.3
367.62848	1.2
445.20544	2.9
463.21692	3.6
517.92316	1.4
723.43243	59.6
724.43689	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	723.4322
Annotation	Trungapeptin B
Peak:m/z	Relative Intensity
51.11633	1.7
51.67630	1.7
57.11267	1.5
58.00484	1.9
59.01249	9.4
61.98689	3.3
65.71896	1.8
66.19423	1.8
68.43887	1.8
71.01257	4.9
89.02327	3.1
98.19781	3.9
101.02314	3.8
113.02351	2.6
114.20367	1.7
165.12718	8.0
183.13828	50.1
188.37599	1.7
199.13327	2.2
209.11760	24.6
227.12834	8.4
235.08214	4.3
253.09262	5.4
273.21545	2.1
277.21710	100.0
278.22104	9.8
323.12918	1.7
400.97363	2.1
463.21844	2.0
506.94247	2.4
699.62463	1.9
723.43243	56.6
724.43854	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	723.3961
Annotation	Unknow
Peak:m/z	Relative Intensity
55.72562	0.2
57.03332	0.3
59.01249	100.0
60.01581	1.1
61.98701	2.6
71.01247	1.8
71.50114	0.4
73.02853	0.3
75.00712	0.3
78.95815	0.4
80.96400	0.7
82.86557	0.2
83.01268	0.3
85.02814	1.7
87.00784	0.4
89.02310	0.6
89.59293	0.2
94.97971	0.3
96.95901	0.4
97.02824	0.3
101.02317	1.0
106.60964	0.2
109.93497	0.2
113.02332	0.5
117.03328	1.5
119.04928	0.5
125.02374	0.3
147.02896	0.5
161.02377	0.4
161.04454	0.4
161.22400	0.3
163.03906	0.9
201.05447	0.3
230.37762	0.3
269.04465	0.9
281.04547	0.8
282.05313	3.6
283.06076	0.5
293.04453	0.8
295.02399	0.4
295.05887	0.6
296.06427	0.3
297.04132	1.9
298.04504	0.3
299.05026	0.3
307.06003	1.3
307.22784	0.4
309.20554	0.4
311.05637	0.8
313.03680	0.3
314.04498	0.5
323.05508	0.6
323.21988	0.4
324.22858	0.4
325.23560	0.8
335.05429	0.9
335.09161	1.0
349.07175	0.4
363.04947	1.0
363.08954	1.3
364.09470	0.3
375.08765	0.4
393.10013	0.4
397.13470	0.5
413.08624	1.1
430.08945	0.8
431.09808	0.7
585.25415	0.3
603.26050	7.8
603.35126	0.4
604.26404	1.8
619.25177	0.5
621.36029	0.8
633.27185	2.6
634.27356	1.0
663.38025	0.6
705.28876	0.6
723.30103	13.4
724.30444	4.1
743.10504	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.3016
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	5.9
61.45373	0.6
61.98700	3.3
62.01158	0.5
69.45603	4.5
71.01248	1.7
80.96386	0.7
83.02397	0.9
85.02808	0.7
88.91399	0.5
89.03262	0.5
93.03332	0.7
96.95875	0.7
98.19890	1.1
101.02294	0.8
117.03326	4.9
149.02307	0.8
159.04286	0.6
161.02335	1.5
175.03928	2.3
177.01791	0.9
197.05994	0.7
201.05516	0.8
203.03285	0.9
213.05519	0.9
215.07101	0.9
223.07594	1.0
224.08369	1.1
239.07004	1.1
253.05099	0.9
267.06601	2.6
268.04398	0.7
268.07306	3.9
269.04605	1.0
279.02692	0.6
279.06473	1.3
281.04590	2.8
282.05295	4.7
283.06067	12.3
284.06384	1.1
293.04752	0.9
294.05197	1.1
295.06085	19.2
296.06851	18.1
296.09424	0.5
297.07352	2.7
306.05362	0.7
307.05994	4.6
309.07574	3.1
311.05527	2.7
314.04291	0.7
322.04813	2.8
323.05585	10.7
324.06165	4.3
325.07062	4.9
326.04120	0.7
328.05841	33.0
329.06195	2.4
329.13705	0.7
335.05646	2.0
336.06259	0.7
337.07138	2.5
343.15237	0.8
344.16235	1.5
351.05151	6.1
353.06546	1.8
354.07355	1.7
356.05344	12.1
357.05600	1.6
363.08600	1.5
377.10391	0.7
381.06293	3.9
386.06427	7.1
405.09698	2.0
421.09555	0.6
435.10413	1.3
493.18765	1.7
505.18518	1.6
506.19064	1.1
535.19409	1.3
547.19495	1.0
603.25952	44.5
604.26245	9.0
615.25623	0.8
633.27008	14.5
634.27417	2.0
645.27063	1.0
663.27673	0.9
696.48004	0.6
705.29346	3.5
723.30157	100.0
724.30481	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	723.3015
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	4.2
61.98709	4.4
63.01223	0.8
71.01247	2.0
71.05307	2.0
78.89578	0.9
78.95740	1.0
83.01249	1.4
85.02818	5.3
88.98672	1.2
91.20513	0.9
96.91924	0.8
101.02324	1.0
119.04929	1.5
133.02831	13.7
134.03583	1.5
135.04448	0.8
138.33916	0.9
143.40187	0.8
144.00670	0.9
145.36481	0.8
149.02412	1.4
150.36302	1.0
163.03886	2.1
173.00743	1.1
175.03865	2.1
177.01920	4.5
191.01857	3.5
201.01878	1.0
202.02524	1.1
203.03423	0.8
213.05499	1.1
216.76680	0.9
239.07024	1.3
253.04916	1.5
267.06754	1.8
269.04572	0.9
281.04361	1.1
283.06061	3.4
284.06891	1.2
295.05862	1.0
297.03949	8.3
298.04742	9.2
299.05585	8.7
300.05817	1.3
309.03879	2.2
310.04614	3.2
311.05588	44.3
312.06326	31.5
313.03506	1.8
313.06827	3.1
323.05441	3.1
324.06079	2.1
325.03683	1.3
325.07208	2.2
327.04846	1.6
337.07141	1.0
338.04282	1.9
339.05057	20.9
340.05481	2.5
341.06488	2.8
344.05374	9.2
351.04950	1.4
353.06610	1.5
357.05988	1.1
367.04578	1.3
369.06116	12.3
370.06677	1.9
379.08185	2.1
397.05389	1.1
402.05621	1.2
406.10092	1.1
430.08960	1.9
431.09781	1.7
451.10391	1.5
458.67966	1.1
509.18051	3.8
521.18115	3.8
522.18890	1.8
535.19586	2.5
537.17303	2.0
549.17621	2.6
563.19104	1.6
603.25635	1.4
619.25494	38.5
620.25446	6.3
622.78662	0.9
649.26489	23.2
650.26733	3.7
654.22522	1.1
661.26416	1.8
679.26556	1.2
705.29102	12.1
706.29291	2.4
723.30133	100.0
724.30573	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	723.2144
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	100.0
58.03661	1.8
59.01257	12.8
60.01585	0.7
61.98702	10.5
68.01508	0.5
69.72649	3.1
71.01268	5.7
72.99191	1.1
73.02828	2.5
74.17641	0.5
81.03349	1.3
83.01257	2.2
85.02836	2.8
87.00777	1.4
88.98678	0.9
89.02332	2.6
96.95908	0.7
97.02853	0.7
98.20254	1.6
99.00774	0.9
99.04398	50.0
100.04730	1.3
101.02327	22.4
113.02327	2.4
119.03417	0.9
125.02337	15.9
143.03358	1.1
161.04503	1.6
165.05508	0.6
171.10274	1.3
179.05627	1.0
186.03235	1.5
201.05423	0.8
209.11842	0.7
225.11205	1.1
242.02209	0.8
253.09477	0.7
254.99370	0.8
257.04593	0.9
258.01740	1.2
269.04636	0.8
270.01471	0.7
282.35846	0.6
286.01163	1.9
298.01187	1.0
298.98431	1.2
301.03577	5.2
305.08774	0.9
313.03391	1.2
314.00644	11.0
315.01440	0.9
325.20227	1.4
329.03021	28.1
330.03433	3.2
344.05362	17.7
344.09589	0.9
345.05670	1.8
357.02481	3.8
357.26382	0.8
359.07733	24.1
360.08090	2.1
372.05017	4.6
387.07217	29.2
388.07538	3.5
402.09549	14.7
403.10007	4.9
413.28613	0.7
417.11911	93.8
418.12286	9.9
501.31445	1.0
518.32123	1.1
519.32123	3.5
561.32751	1.1
577.43433	0.7
663.35992	2.0
690.34418	1.3
691.34302	1.2
722.39270	0.9
723.37024	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	723.2145
Annotation	Apigenin 7-rhamnoside-4'-rutinoside
Peak:m/z	Relative Intensity
59.01239	1.4
61.90934	0.3
63.50076	0.3
67.70712	0.3
67.97101	0.3
69.05814	0.4
69.35599	3.2
71.01241	1.0
73.02818	0.9
77.03841	0.7
79.76437	0.3
82.79714	0.4
85.02814	0.5
93.03321	1.1
94.71552	0.3
96.95883	0.4
101.02303	0.5
105.03313	0.5
113.02330	0.3
117.03354	3.7
119.04952	0.5
121.02838	1.0
133.02875	0.4
135.04413	0.6
159.04408	1.0
161.02319	1.3
163.03899	0.5
165.01833	1.0
182.03679	0.5
183.04437	0.8
183.08044	0.8
197.06085	0.8
204.44762	0.4
211.07588	0.6
224.04738	0.6
237.05511	0.5
239.07053	1.6
249.31511	0.4
253.05096	0.8
267.06726	0.4
269.04517	2.9
279.06625	0.6
281.04581	4.2
282.05222	2.2
283.06119	35.9
284.06378	3.5
293.04520	1.4
295.02997	0.7
295.06061	4.4
296.06586	0.4
297.04263	2.1
298.04297	0.6
307.06281	0.5
309.04041	0.7
309.07755	1.2
311.05612	65.1
312.05936	6.2
314.04254	1.9
323.05594	6.9
324.06052	0.9
325.07236	0.7
339.05237	0.5
339.12344	1.6
341.06635	17.8
342.07053	1.9
353.06570	1.6
373.59204	0.4
397.09247	1.2
415.10333	100.0
416.10641	11.1
457.11612	0.8
506.43127	0.4
637.14532	0.9
723.21252	7.6
724.20996	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	723.214
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50726	0.2
55.01768	0.2
58.28892	0.2
59.01232	0.5
65.00201	0.4
69.18190	1.1
69.18616	1.0
71.01244	0.8
77.03834	1.3
79.01760	1.0
85.02786	0.2
87.00725	0.3
89.02291	0.4
95.01249	0.3
101.02293	0.5
105.03333	0.6
117.03336	0.6
119.04906	0.5
121.02840	1.0
143.04916	1.2
144.05249	0.2
145.02847	1.9
147.24199	0.2
149.02295	0.3
157.06458	0.2
165.01854	1.1
167.04840	0.3
167.08614	0.5
180.05737	0.5
181.06523	1.0
185.05852	0.2
190.62216	0.2
194.07230	0.5
195.08038	0.8
209.05951	0.5
217.63010	0.2
219.26404	0.2
221.06134	0.3
222.06711	0.3
223.07596	3.8
235.07629	0.4
237.05560	0.8
238.06236	0.7
239.07037	0.6
251.07080	0.6
253.04991	3.0
254.05492	0.3
263.07190	0.6
265.05060	4.6
266.05743	2.6
267.06601	43.9
268.06958	3.5
277.05078	1.4
279.06619	4.3
280.07040	0.3
293.04507	1.0
293.07767	0.3
295.06097	74.8
296.06436	6.4
298.04843	1.8
307.06122	8.0
308.06314	0.6
309.07678	0.6
319.06125	0.3
323.05566	0.4
325.07159	19.6
326.07498	1.9
337.07187	1.9
339.08832	0.4
349.07272	0.2
355.08197	0.3
361.07187	0.3
367.08127	0.5
397.09412	0.5
415.10318	100.0
416.10657	10.5
416.16345	0.4
457.11285	0.5
472.78702	0.2
517.12286	0.2
535.56824	0.2
565.09186	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.3653
Annotation	Unknow
Peak:m/z	Relative Intensity
54.23994	0.7
55.01758	1.0
57.03316	2.2
58.00458	1.2
59.01251	31.8
61.98698	10.8
67.62997	0.6
69.03328	1.4
69.20374	6.8
71.00845	1.4
71.01252	27.9
71.80709	0.6
72.99176	1.7
73.02816	5.9
73.31296	0.6
75.00747	1.3
80.96378	0.9
81.03320	2.1
81.37938	0.7
83.01253	3.9
85.02824	6.7
87.00745	5.4
89.02316	24.5
90.02657	1.0
95.01265	2.2
96.95892	1.1
97.02819	3.3
99.00764	2.1
101.02322	21.6
107.04897	0.7
111.00763	1.1
113.02330	9.3
113.09639	0.8
117.56679	0.7
119.03387	8.7
119.04954	1.0
123.08031	0.9
125.02333	7.6
125.09646	1.2
131.03418	1.1
135.04398	1.0
143.03387	3.0
144.47783	0.7
149.04425	0.9
161.04445	4.4
163.03928	1.0
165.12738	4.6
167.03447	0.9
179.05547	4.7
181.12231	0.9
193.12308	0.9
209.11690	1.3
211.13286	1.8
212.66983	0.7
217.16098	0.8
221.06612	2.1
235.08228	6.7
245.06799	0.7
247.20642	2.3
253.09230	1.9
273.18521	2.2
277.09329	1.3
287.07712	1.8
291.19656	51.4
292.20029	5.5
305.08737	1.7
308.19858	1.9
312.45184	0.7
323.22256	100.0
324.22626	9.7
397.13498	60.9
398.13815	4.3
415.14548	34.9
416.14709	3.5
619.25494	1.4
721.36993	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	720.5028
Annotation	Unknow
Peak:m/z	Relative Intensity
71.50902	2.0
81.03336	4.6
83.04910	15.4
90.45492	1.6
101.12837	1.7
125.07071	2.0
151.03889	2.5
162.60481	1.8
169.77542	1.6
185.20027	1.8
191.57407	1.5
199.63783	1.5
213.05653	1.7
224.17706	2.4
225.15987	10.2
234.39574	1.6
241.05016	4.7
242.05212	2.1
247.85753	1.6
256.07410	2.4
257.07755	3.8
271.09763	7.9
272.10037	3.7
301.10864	2.4
425.97440	2.2
435.50882	1.8
451.32819	6.7
583.93768	1.6
675.47717	3.6
677.49713	100.0
678.50043	21.3
720.49884	6.4
721.48401	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.2876
Annotation	Unknow
Peak:m/z	Relative Intensity
53.64693	0.5
55.01756	4.3
59.01237	1.8
61.66061	0.6
61.98691	2.1
71.01228	1.2
71.50828	1.0
78.03709	0.5
78.95764	1.0
83.01253	100.0
84.01591	1.8
88.95959	0.6
96.95890	5.1
96.96806	0.9
157.85477	0.6
165.64026	0.6
183.71936	0.7
209.11636	0.6
211.13437	0.9
284.68442	0.7
345.51263	0.6
397.13489	0.7
438.26996	0.6
458.17545	0.7
459.18225	8.2
460.18848	3.9
473.19382	3.1
474.20239	0.9
475.21609	1.1
518.19556	2.4
532.21338	1.8
533.21991	2.9
619.25574	38.3
620.26202	17.5
621.26733	1.9
635.24548	0.7
703.27704	2.9
721.28998	4.8
722.29071	1.7
737.81854	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.2753
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	22.2
60.01591	2.7
61.49281	1.4
68.01291	2.8
68.92628	1.2
69.27573	9.1
69.27984	2.9
71.01254	4.3
78.17326	1.3
85.02824	3.3
96.95887	3.1
101.02326	4.0
108.02074	1.6
113.36808	1.5
117.42004	1.6
121.02847	8.5
122.03658	7.7
123.04458	1.8
132.02098	2.0
133.02829	8.3
134.03629	2.8
135.04393	3.8
137.02330	2.3
140.79913	1.7
145.02832	1.7
146.03624	3.4
147.04434	16.4
148.04860	1.7
149.02354	20.9
149.05962	4.7
150.03131	62.1
151.03680	2.6
158.03658	4.5
159.04390	5.4
160.05191	15.2
161.02412	2.4
161.04652	1.7
161.05984	6.6
162.06714	1.6
163.03912	5.8
163.55981	1.5
164.04695	12.4
165.05479	46.6
166.05971	1.8
173.06001	5.7
175.03981	2.0
175.07568	18.2
176.04683	6.6
177.05460	11.4
178.06267	2.3
179.07079	4.2
180.04140	2.0
195.06537	22.3
203.05621	1.9
230.06667	5.9
231.06990	2.8
270.08954	2.6
315.12222	2.9
329.13892	36.9
330.14301	4.3
345.13522	3.0
359.15277	1.9
375.14548	3.4
398.69473	1.7
432.15732	2.3
447.18234	5.4
458.56192	1.4
459.18225	3.0
477.19196	100.0
478.14612	1.5
478.19632	14.3
507.20084	14.3
508.20383	2.9
525.21344	55.6
526.21545	8.5
555.22540	15.9
556.22485	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.2916
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27493	1.9
54.88035	1.8
64.51965	1.8
66.09148	1.7
69.31637	11.5
69.32063	5.3
88.94247	2.0
104.48447	1.9
121.02840	9.0
124.88697	1.6
135.04417	3.3
158.03662	2.6
159.04533	2.1
161.06032	2.4
165.05469	2.1
209.06047	2.7
225.05443	2.8
227.07213	2.3
237.05591	3.6
238.06212	3.1
239.07034	3.8
240.04306	2.6
251.06953	3.3
252.07927	2.0
253.05084	4.8
254.05873	5.7
255.06644	9.4
265.04984	2.1
266.05798	5.2
267.06631	7.5
268.07266	6.0
269.08182	7.4
270.08850	3.8
280.07495	4.5
281.08133	7.1
282.08902	7.0
283.09723	5.1
293.08127	6.6
294.08994	6.7
295.09717	12.4
296.10284	2.6
297.07751	3.9
297.11157	4.2
298.08435	3.0
307.09698	4.0
309.11356	4.0
311.09485	3.8
312.09857	3.8
313.10812	18.8
314.07852	6.2
324.09854	2.4
325.10764	4.1
327.12421	9.9
339.12314	8.0
524.44495	2.1
563.23218	2.5
597.22546	2.8
609.21167	4.1
639.21057	1.9
654.24548	2.1
657.27020	50.4
658.27441	12.2
669.27032	100.0
670.27368	24.5
681.26917	42.9
682.27307	12.3
687.28033	6.7
699.27295	2.7
717.29718	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	717.2148
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01744	1.0
59.01250	100.0
60.01589	1.5
60.98219	0.8
64.22572	0.7
68.01286	18.8
71.01254	16.3
73.02821	5.2
82.02857	2.4
83.01253	2.5
85.02812	5.7
97.02828	1.4
99.00758	1.4
101.02314	7.1
110.02361	14.7
113.02318	5.0
124.03920	1.1
125.02303	1.2
131.03656	2.1
135.04404	5.1
143.03352	1.6
145.04945	1.7
147.04419	17.6
156.04506	0.8
158.06006	3.8
159.02892	1.1
161.04472	13.6
170.04449	1.1
186.05620	2.0
188.05608	4.0
189.05473	1.3
203.05519	17.0
203.07253	1.4
230.06654	52.6
231.07036	3.5
276.08765	12.5
277.09070	1.6
294.09811	2.9
336.10995	6.9
561.26874	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.2753
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	22.2
60.01591	2.7
61.49281	1.4
68.01291	2.8
68.92628	1.2
69.27573	9.1
69.27984	2.9
71.01254	4.3
78.17326	1.3
85.02824	3.3
96.95887	3.1
101.02326	4.0
108.02074	1.6
113.36808	1.5
117.42004	1.6
121.02847	8.5
122.03658	7.7
123.04458	1.8
132.02098	2.0
133.02829	8.3
134.03629	2.8
135.04393	3.8
137.02330	2.3
140.79913	1.7
145.02832	1.7
146.03624	3.4
147.04434	16.4
148.04860	1.7
149.02354	20.9
149.05962	4.7
150.03131	62.1
151.03680	2.6
158.03658	4.5
159.04390	5.4
160.05191	15.2
161.02412	2.4
161.04652	1.7
161.05984	6.6
162.06714	1.6
163.03912	5.8
163.55981	1.5
164.04695	12.4
165.05479	46.6
166.05971	1.8
173.06001	5.7
175.03981	2.0
175.07568	18.2
176.04683	6.6
177.05460	11.4
178.06267	2.3
179.07079	4.2
180.04140	2.0
195.06537	22.3
203.05621	1.9
230.06667	5.9
231.06990	2.8
270.08954	2.6
315.12222	2.9
329.13892	36.9
330.14301	4.3
345.13522	3.0
359.15277	1.9
375.14548	3.4
398.69473	1.7
432.15732	2.3
447.18234	5.4
458.56192	1.4
459.18225	3.0
477.19196	100.0
478.14612	1.5
478.19632	14.3
507.20084	14.3
508.20383	2.9
525.21344	55.6
526.21545	8.5
555.22540	15.9
556.22485	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	716.3712
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98702	100.0
65.36209	0.3
71.51743	0.3
78.95802	0.4
145.66141	0.3
216.98265	0.3
231.59718	0.3
255.23344	0.3
546.17712	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	716.3708
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47247	0.1
54.46560	0.1
54.68016	0.1
59.93844	0.1
61.98700	100.0
62.98392	0.2
98.19754	0.3
170.18871	0.1
197.87056	0.1
309.42126	0.2
398.14163	0.2
399.14291	0.2
400.14224	0.2
418.87527	0.1
542.55811	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.2148
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09249	0.9
53.64522	0.8
57.03319	1.0
59.01251	100.0
60.01573	1.3
68.01282	14.9
71.01252	14.8
71.51373	1.3
73.02814	4.8
79.05833	0.7
81.03316	0.9
81.54166	0.8
82.02840	1.2
83.01273	2.4
83.86884	0.7
85.02833	7.4
87.00777	1.1
95.01228	0.8
96.95919	0.9
97.02824	1.1
99.00755	1.6
101.02332	7.0
110.02366	14.5
113.02329	4.5
123.89763	0.8
124.03905	0.9
125.02373	1.6
131.03680	1.6
135.04420	3.7
147.04417	18.0
158.05986	2.2
161.04466	13.2
170.04710	1.1
188.05573	4.1
189.05441	1.9
203.05566	17.1
230.06667	44.1
231.06950	2.3
276.08768	13.8
294.09805	1.3
336.10910	6.6
645.52063	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	716.2403
Annotation	Unknow
Peak:m/z	Relative Intensity
54.78118	1.4
59.01245	100.0
60.01548	1.8
60.81617	1.5
68.01270	11.7
68.31925	1.3
71.01245	14.2
73.02812	3.9
78.82085	1.2
82.02874	2.0
83.01256	2.7
85.02809	6.1
95.01251	2.0
96.95889	10.8
97.02824	1.6
97.18040	1.2
98.20579	3.4
99.00733	1.8
101.02312	9.0
110.02347	8.3
110.19808	1.4
113.02302	6.2
113.38194	1.3
118.97952	1.8
120.87193	1.2
121.02832	1.4
122.03603	2.9
131.03676	1.4
133.02841	1.6
135.04396	3.8
147.04419	16.3
149.02341	9.5
150.03133	26.9
151.03893	1.7
158.03824	1.3
158.06021	1.8
159.04401	1.6
160.05183	5.3
161.04445	10.7
161.05801	2.3
163.03932	2.1
164.04675	2.7
165.05475	16.8
173.05939	1.5
175.07539	3.7
176.04668	2.6
177.05435	4.4
188.05640	1.6
195.06607	10.3
200.03674	1.2
203.05560	9.8
230.06639	35.7
249.13385	4.1
276.08618	7.2
291.14444	2.0
329.13959	11.4
336.10913	4.7
447.18182	2.0
458.13538	1.5
477.19138	26.3
507.20078	2.9
525.21179	16.2
555.22229	6.5
563.41766	1.8
672.27051	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	715.276
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28535	2.4
53.17773	2.7
62.75072	2.6
66.24403	2.3
71.51723	4.5
75.60896	2.6
93.03322	6.8
108.97697	2.8
121.02842	12.9
122.03624	11.1
123.04380	5.3
134.03647	19.4
135.04414	8.8
136.01535	5.7
146.03658	3.9
147.04407	6.3
149.02344	26.0
149.05963	16.6
150.03123	100.0
151.03928	13.0
159.04378	4.5
162.03134	7.3
163.03911	7.2
164.04770	13.3
165.01862	3.4
165.05473	94.3
166.05827	3.8
172.05194	6.4
176.04686	3.2
177.01866	7.7
177.05447	11.2
180.04205	5.7
181.04964	4.3
188.04489	3.0
189.05435	3.1
189.41406	2.9
190.06189	8.7
195.06529	32.2
205.08618	4.8
254.05818	4.3
266.05823	5.3
267.06717	5.1
269.08127	9.5
279.07004	3.2
279.10339	2.7
281.08252	4.1
291.06223	3.1
293.08130	5.2
298.20325	3.2
305.08084	6.7
308.10400	5.9
323.09158	4.1
338.11649	3.4
349.90347	3.0
456.15363	3.2
471.18985	3.6
475.17410	3.4
489.19220	18.4
501.19101	17.3
502.19275	4.4
507.20151	4.6
519.20447	7.0
595.23193	4.9
619.23035	3.9
625.24353	10.9
637.24835	20.8
638.24176	4.2
655.25452	48.3
656.25867	9.2
667.25458	32.1
668.26160	7.4
685.26343	49.6
686.27045	10.5
697.26215	18.6
715.27655	19.5
716.27942	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	715.276
Annotation	Unknow
Peak:m/z	Relative Intensity
70.78588	4.3
77.64222	1.8
93.03333	2.3
108.02044	5.6
109.02843	4.7
119.04918	1.8
121.02858	12.8
121.03555	2.1
122.03623	13.6
123.04427	10.0
131.37933	2.1
133.02817	3.7
134.03650	16.1
135.04402	11.9
136.01567	15.9
137.02344	4.4
143.04926	3.4
145.02878	3.4
146.03621	4.0
147.04417	5.4
149.02315	19.0
149.05978	11.8
150.03125	100.0
151.03926	31.6
159.04393	5.6
160.05219	6.7
161.02263	2.2
161.05989	14.3
162.03142	10.3
163.03847	4.2
164.04669	7.0
165.05481	82.2
166.05830	2.4
172.05203	4.3
173.06021	9.0
174.03172	4.2
175.03918	16.2
176.04553	4.4
177.01974	2.4
177.05449	8.8
180.04196	5.9
181.04967	8.1
187.03923	3.5
189.05461	19.2
190.06262	14.8
191.06970	5.9
195.06552	21.7
201.05508	4.1
202.06219	3.2
205.08607	5.5
217.08464	1.9
267.06577	3.0
279.22980	1.9
281.07919	2.3
293.08221	3.0
298.08444	3.7
307.09692	2.7
313.10602	8.9
325.10544	2.2
329.13785	5.8
337.10413	2.6
338.11545	5.7
339.12299	4.7
352.12985	3.3
353.14096	3.5
355.56168	1.9
359.29767	2.1
367.15805	2.4
391.49124	2.8
417.12689	2.0
441.13818	2.5
449.15668	2.1
472.18237	2.0
474.16705	2.4
475.17270	2.0
479.17215	4.3
489.19247	14.2
501.19211	3.9
502.95844	2.0
505.18414	2.5
507.20221	3.7
509.18155	6.3
519.20026	5.2
521.22052	5.0
537.20886	5.4
590.72308	2.0
625.24280	11.4
655.25403	38.3
656.25970	9.0
667.25104	3.4
685.26489	93.2
686.26788	15.5
697.26367	8.5
715.27582	23.0
716.27844	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	715.2759
Annotation	Unknow
Peak:m/z	Relative Intensity
65.63759	1.9
67.03289	2.0
70.64374	5.2
78.95781	2.4
81.97146	1.9
95.13897	2.4
97.11999	2.2
108.02066	5.1
109.02831	4.5
109.03960	5.0
119.04802	2.8
121.02838	14.8
135.04370	3.8
136.01537	15.3
145.02863	2.7
146.03600	3.0
147.04384	3.1
149.02400	2.8
150.03134	5.4
151.03902	13.3
151.91234	2.2
158.03604	2.8
159.04433	5.9
160.05258	2.4
161.05922	5.5
163.03949	5.7
164.04672	3.6
165.05458	4.3
173.06009	4.5
175.03917	3.3
175.07535	4.5
177.05470	4.3
179.06956	2.7
189.05502	2.9
203.07126	3.2
237.05457	3.2
239.07133	5.3
240.04207	3.0
250.06303	2.7
253.05031	4.5
254.05769	5.4
255.06586	5.0
263.07159	3.0
265.04965	3.5
265.08734	3.6
266.05832	4.7
267.06607	8.9
268.07318	4.9
269.08136	14.3
270.08826	3.1
275.07300	3.7
277.08408	4.5
279.06616	2.4
280.07352	3.9
281.08109	11.4
282.08926	5.6
283.09680	2.9
284.10327	2.7
291.06622	4.5
292.07455	6.1
293.08200	21.3
294.08923	8.7
295.09818	7.7
296.07089	3.1
296.10486	4.4
297.07724	5.0
297.11038	3.0
305.08118	11.9
306.08942	10.2
307.09732	10.8
308.10510	14.8
309.07858	4.2
309.11166	19.6
310.08408	3.8
310.11874	4.0
311.09213	4.0
314.07745	4.4
320.10449	7.3
321.11264	8.6
322.08597	2.6
323.09198	5.2
323.12888	10.4
325.10849	8.6
326.11557	4.8
335.12610	3.0
337.10739	8.6
338.11533	4.7
429.13269	3.5
463.17352	2.9
519.20050	4.9
531.20215	4.3
561.21521	3.1
577.18848	5.7
592.21002	8.0
607.23102	3.6
619.22369	6.3
625.24347	45.1
626.24921	9.2
637.24414	100.0
638.24664	15.7
649.24432	26.6
650.24194	5.1
655.25641	31.1
656.25873	7.1
667.25366	91.6
668.25818	21.2
679.25458	81.5
680.25659	20.2
685.26434	18.1
686.26849	3.9
689.29077	4.0
697.26691	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	715.2605
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44439	0.7
59.01250	7.0
61.66844	0.6
61.98683	1.1
71.01254	5.2
73.02858	0.7
77.89133	0.7
85.02814	2.2
87.00752	0.8
89.02322	5.6
98.20583	1.5
98.60553	0.8
99.63068	0.8
101.02317	2.5
108.02052	1.6
113.02303	2.2
114.02565	0.7
119.03381	1.4
120.09560	0.7
121.02850	1.5
123.04372	2.1
128.50249	0.8
134.03636	2.1
135.04384	0.9
136.01540	1.9
137.02269	1.8
145.02878	0.9
146.03587	3.9
149.06035	0.9
150.03134	2.9
151.03886	2.6
158.23692	0.7
161.04420	2.2
161.05861	0.9
162.03125	1.6
163.03870	1.3
164.04666	3.1
164.06032	0.7
165.05405	1.7
166.02701	0.7
169.88580	0.7
177.05463	2.2
179.05588	1.2
179.07034	8.0
179.41805	0.7
185.06044	2.3
189.05368	1.0
192.04213	1.6
195.04375	1.0
195.06461	1.5
197.05966	5.9
198.06273	0.7
207.06558	2.1
211.03989	0.9
212.04692	1.7
213.03587	1.5
213.05507	14.4
223.03998	2.3
224.04781	2.2
225.05510	26.2
226.06097	5.0
227.07065	4.5
228.07658	0.9
237.07651	1.7
239.07141	0.7
240.04291	7.3
240.07872	18.5
241.05028	47.6
241.08629	2.1
242.05237	3.3
255.06599	22.9
255.19133	0.7
256.07382	45.5
257.07724	2.9
270.08960	24.9
271.09738	100.0
272.10098	7.2
301.10797	56.7
302.11188	4.5
303.12411	2.5
328.09525	1.0
343.11728	1.8
373.13016	8.1
399.12997	2.5
505.18723	1.3
523.19434	3.6
535.19379	1.0
553.21454	1.2
646.02234	1.1
685.25702	1.5
715.26129	11.6
716.26703	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	715.2605
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09669	1.1
58.00465	4.5
59.01247	85.2
60.01603	0.9
61.98703	1.3
70.39295	2.0
70.39672	2.4
71.01250	66.0
72.96235	0.9
72.99174	6.2
73.02834	1.4
83.01263	2.5
85.02824	10.9
87.00732	3.2
89.02314	100.0
90.02620	2.0
93.03349	2.1
95.01271	4.5
101.02316	41.2
102.02654	1.5
113.02322	28.2
119.03389	45.9
120.01145	1.5
121.02847	4.7
122.03632	9.8
123.00732	1.4
131.03403	4.4
133.02875	1.7
134.03632	2.8
136.01534	3.3
137.02351	1.3
143.03407	6.7
149.02344	20.4
149.04362	5.7
149.05711	0.9
150.03125	64.7
151.03761	3.7
161.04485	8.2
163.03996	1.6
164.04660	4.3
165.05473	65.1
166.05838	2.3
177.05659	1.1
179.05515	16.5
179.07007	1.8
180.04218	5.1
193.04970	3.7
195.06549	39.6
196.06952	1.9
197.04535	1.2
263.07114	3.0
281.08170	6.2
291.06729	1.7
293.08005	2.5
296.10489	1.7
308.10553	1.5
309.07693	28.0
309.10785	1.1
310.08115	3.4
310.89987	1.0
323.09192	4.9
324.09982	17.8
325.10294	1.6
339.08221	2.6
339.12335	52.1
340.12354	5.2
357.13272	2.5
472.14841	1.7
487.17612	11.3
505.18506	10.6
506.19244	1.9
535.19507	1.6
553.20892	5.5
554.20715	1.9
667.23615	1.9
715.25714	4.6
736.10718	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	715.2603
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	0.7
66.68143	0.7
71.01228	0.7
79.95596	1.1
81.39258	0.6
93.87006	0.7
96.95886	29.2
101.02328	0.7
108.02003	0.8
109.22346	0.7
150.03094	1.2
161.41687	0.7
165.05478	0.9
183.04456	1.2
184.05084	1.5
185.05997	1.1
187.03871	3.5
195.04396	2.7
197.06027	2.3
211.03969	1.4
212.04694	6.7
213.05449	6.7
214.05891	1.0
223.03911	2.3
224.04724	1.4
225.05540	11.1
226.06172	2.8
227.07060	5.6
229.21735	0.8
240.04231	37.9
240.07878	12.8
241.04967	28.2
241.08592	1.5
242.05309	1.4
255.06592	100.0
256.07281	31.8
257.07666	1.5
270.08948	75.6
271.09702	73.3
271.15839	0.7
272.10147	5.7
283.06192	0.6
301.10794	73.4
302.11166	7.0
364.53571	0.6
369.05966	1.4
385.05807	0.7
395.89587	0.7
409.55283	0.7
505.09622	1.3
591.13354	4.7
618.15149	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.2605
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38231	0.8
55.01752	1.1
57.03325	1.1
58.00463	5.4
59.01247	91.2
61.98692	0.9
69.23032	3.3
69.23458	4.4
71.01249	68.6
72.01565	1.2
72.99184	5.8
73.02812	1.2
83.01261	1.8
85.02822	10.6
87.00762	4.5
89.02314	100.0
90.97903	0.8
93.03321	2.5
95.01266	3.8
99.00773	1.0
101.02319	46.6
113.02325	28.1
114.02660	0.9
119.03382	47.0
121.02824	6.6
122.03602	5.2
123.04376	1.3
125.02371	0.8
131.03392	4.5
136.01593	1.3
143.03375	7.0
145.16455	0.9
146.03644	0.9
149.02348	20.9
149.04425	3.8
150.03123	32.6
151.03534	1.0
151.06900	0.8
161.04448	7.2
162.03094	1.2
164.04698	4.7
165.05478	29.0
166.05769	1.9
177.05533	1.6
179.03944	1.1
179.05536	15.4
179.07033	2.5
180.04185	1.4
180.29662	0.8
195.06526	21.7
196.06889	0.9
247.07527	1.1
263.07056	2.9
281.08215	4.9
291.06650	1.8
293.08185	2.0
295.06076	4.2
296.10507	1.5
308.10605	1.7
309.07675	22.9
309.11090	0.7
310.08359	4.4
323.09280	4.8
324.10056	12.2
325.10721	7.5
327.12250	1.7
339.12344	31.9
340.12653	3.7
355.12042	1.2
441.13165	0.9
443.14954	0.9
472.15125	2.4
487.17593	40.2
488.17752	6.0
535.19678	4.7
715.25879	7.8
716.25879	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	713.26
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	4.7
61.98695	8.9
63.30862	4.0
70.72140	13.1
78.01185	4.8
85.68878	4.4
93.51381	3.8
96.60358	4.4
97.64323	3.8
100.77655	4.1
101.16160	3.8
108.02001	4.9
114.50298	4.2
121.02827	3.7
159.04448	4.7
160.05188	7.1
162.03069	5.1
175.03864	5.0
177.05383	8.6
181.70149	4.4
188.04587	5.3
189.05234	4.7
195.06578	6.9
206.05852	4.2
219.21863	4.9
221.08142	9.7
223.07645	4.3
237.05533	5.2
247.68707	4.8
265.04953	5.1
277.05051	7.0
280.07242	4.5
281.08057	6.2
283.09702	5.9
291.06613	5.6
293.08221	6.0
295.09894	6.4
322.08441	5.5
323.09198	17.7
336.10245	6.7
338.11642	8.2
381.13394	40.0
382.13672	5.7
475.17319	5.8
502.15665	5.4
505.18729	15.3
517.18726	28.8
518.19061	6.5
587.16626	11.2
599.17035	7.4
605.21521	15.9
617.21759	21.2
623.22742	11.1
629.21851	11.6
631.90570	5.6
635.22784	49.4
636.23425	14.6
647.22815	100.0
648.23352	29.9
653.23132	8.6
659.22754	30.8
665.23730	55.7
666.24347	9.4
677.23907	50.0
678.23456	9.1
695.24768	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	713.3963
Annotation	Unknow
Peak:m/z	Relative Intensity
55.50214	1.1
59.00962	1.6
59.01247	29.4
61.98701	1.3
69.03328	2.0
71.01254	26.9
71.50429	1.5
73.02817	4.3
75.88911	1.0
83.01246	3.0
85.02815	6.1
87.00747	5.5
89.02309	24.7
90.79582	1.1
95.01253	2.5
97.02797	3.8
99.00755	2.3
101.02308	22.2
108.89995	1.4
113.02325	9.0
119.03396	6.1
125.02312	8.9
143.03363	4.2
161.04417	4.3
170.82375	1.1
179.05524	4.9
189.39981	1.2
217.07112	1.4
221.06659	1.8
235.08153	9.7
253.09244	1.4
255.23259	70.1
256.23611	6.0
263.07791	1.2
287.07602	2.4
305.08725	4.4
397.13461	100.0
398.13705	6.5
413.16306	1.2
415.14487	31.6
416.14651	2.6
529.91016	1.4
610.93304	1.5
651.67712	1.5
653.37451	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	713.474
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01241	0.9
69.03338	0.4
71.01227	0.4
71.08152	0.6
76.46410	0.3
78.09911	0.3
83.04910	0.4
101.02312	0.5
101.19256	0.3
104.45009	0.3
119.20301	0.3
131.24097	0.3
183.36443	0.3
186.12837	0.3
225.15871	0.4
451.32968	0.3
677.49615	3.6
678.50153	0.7
713.47351	100.0
714.47687	23.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.4615
Annotation	Unknow
Peak:m/z	Relative Intensity
60.11229	14.0
61.98695	25.3
78.95784	100.0
81.03638	14.9
96.96838	15.0
98.20676	26.4
122.46349	15.5
131.34993	15.4
140.68155	14.3
152.99477	83.1
272.62759	18.9
279.23282	68.6
295.22812	36.5
349.20169	14.9
415.22540	50.4
431.21924	44.9
694.35162	19.4
711.46112	50.6
716.45355	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	712.192
Annotation	Unknow
Peak:m/z	Relative Intensity
54.59512	2.0
59.01264	13.5
69.61695	11.5
71.01270	11.5
73.02817	3.6
85.02836	8.6
89.02319	6.8
92.53489	2.3
101.02303	13.3
106.13535	2.1
107.04916	2.7
113.02282	3.9
116.92721	2.4
120.01109	4.8
130.06488	2.6
137.00560	5.2
149.00598	11.2
151.03903	7.5
176.07088	100.0
177.07426	5.1
329.07025	7.4
338.12445	29.0
382.11404	4.9
416.10196	79.0
417.10486	6.5
533.51654	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	713.2447
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69789	0.8
53.01957	0.9
59.01226	1.4
61.98703	1.3
65.23209	0.8
69.03340	0.9
69.95000	4.1
71.01249	1.1
85.93514	0.9
89.02293	0.8
95.01250	0.9
98.19814	1.2
108.02045	3.5
109.02869	2.0
117.03324	1.3
120.02069	1.0
123.00787	1.4
123.04473	1.3
124.01528	2.5
125.02249	1.4
131.01239	1.3
132.02046	2.4
133.92290	1.0
134.03627	8.0
135.04373	3.1
136.01544	10.5
137.02328	2.3
138.03078	1.4
139.03885	2.4
140.01086	0.9
145.02837	1.9
145.08302	0.9
146.03629	41.0
147.04033	1.7
148.01598	1.1
149.02298	2.8
149.06001	5.4
150.03099	2.9
151.00322	1.5
151.03911	19.4
152.01024	2.6
159.00809	1.7
160.01541	7.2
160.05136	1.9
161.02374	4.5
161.05995	16.6
162.03099	2.6
162.06230	0.9
163.03888	3.8
164.04700	29.2
165.01936	1.0
165.05115	2.3
166.02608	2.1
167.03384	2.6
175.00317	2.1
175.07611	0.9
176.01065	24.3
177.01752	3.6
177.05486	1.1
179.07054	93.1
180.07413	5.1
187.03983	1.1
190.02722	1.8
191.03415	23.4
192.04033	2.1
193.04871	1.5
194.02069	3.8
195.06700	1.0
204.04167	1.7
209.04501	15.5
219.02859	1.6
219.06496	4.1
220.03697	2.3
235.06017	5.2
257.08392	0.9
294.22455	0.9
326.08090	1.2
340.07254	1.1
341.10370	10.3
357.09540	3.0
358.10358	3.9
371.11334	100.0
372.11716	11.5
373.12668	3.6
385.06601	1.1
386.07715	1.2
400.09656	2.1
401.10202	6.7
415.11963	4.1
416.12451	3.3
417.13284	1.1
430.14258	2.8
431.14926	12.3
432.15381	1.5
461.15997	8.4
462.16400	1.6
517.18329	1.9
519.15131	1.1
521.18048	2.4
533.18042	3.7
534.18530	1.1
551.19568	4.8
552.19037	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	711.3361
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	35.0
72.11384	18.2
77.58872	20.8
78.95796	19.8
87.00768	19.6
98.92858	18.8
122.94471	19.6
125.02250	19.4
233.13762	17.9
237.26753	19.5
277.21701	79.6
321.88895	22.8
397.13565	100.0
415.14603	69.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.3446
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	100.0
61.08211	1.3
69.55347	2.6
69.55758	6.5
71.01247	7.9
71.23519	1.4
73.02825	2.6
79.24659	1.4
85.02823	5.0
89.02313	2.5
98.19843	2.6
99.00790	1.5
101.02309	8.7
108.08047	1.5
113.02328	4.4
126.50964	1.5
128.49452	1.3
147.71724	1.8
150.42253	1.4
161.04494	3.1
189.06570	2.9
235.11830	16.4
236.12239	2.0
277.12903	9.1
323.12521	1.8
389.22018	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	711.3808
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00274	2.4
54.22818	2.2
56.97576	2.0
59.01252	38.5
60.42410	2.4
61.98706	23.3
71.01255	23.5
71.51200	2.7
72.99215	3.4
73.02809	2.5
74.28978	2.0
74.72582	2.3
81.72659	2.3
83.01250	3.2
85.02835	9.2
87.00773	14.7
89.02309	22.2
89.67797	2.4
97.02860	5.1
101.02328	26.1
103.04183	2.2
113.02318	13.4
119.00766	2.4
119.03411	8.7
125.02324	11.1
134.62608	2.3
143.03406	4.5
161.04472	4.4
179.05501	3.9
211.13409	2.4
235.08197	11.3
253.21716	81.6
254.22044	6.0
305.08963	3.7
397.13504	100.0
398.13730	7.3
415.14563	30.7
651.36255	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	711.2141
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	100.0
66.69587	1.0
66.79974	1.1
66.80842	1.2
69.92163	4.3
71.01256	8.3
73.02814	2.1
73.53709	1.0
74.62491	1.0
79.62653	1.1
83.01279	2.1
85.02814	4.6
89.02309	2.2
98.20493	1.3
99.00719	1.1
101.02293	5.5
113.02345	2.8
116.92747	4.1
135.42201	1.1
154.27817	1.1
161.04477	4.6
269.10379	10.0
269.41415	1.0
270.10556	1.3
271.09778	1.9
311.11334	5.3
593.15619	1.3
637.02423	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	709.4169
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	9.2
61.98698	4.6
65.20831	1.4
68.15471	1.3
70.13225	5.9
71.01237	5.8
73.02811	1.6
73.17210	1.4
75.00739	3.5
76.42603	1.4
78.95761	3.9
80.96387	8.2
84.37873	1.4
89.02306	3.2
89.95022	1.6
93.28414	1.4
97.06458	3.7
98.99136	1.4
101.02335	4.4
113.02319	1.9
115.58855	1.5
120.45731	1.8
151.11169	14.5
152.99432	2.6
160.09813	1.4
169.12251	91.4
170.12578	5.7
195.10066	2.0
209.11754	2.6
213.11230	12.8
213.90021	1.6
225.00626	2.6
235.08276	2.3
253.09253	2.2
277.21710	28.8
278.22110	5.5
309.20203	1.7
360.56100	1.5
431.19116	4.6
448.14609	1.5
449.20444	9.0
579.59851	1.5
709.41461	100.0
710.41742	22.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.4871
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45413	2.4
63.26725	2.2
81.03333	23.4
83.04892	59.6
84.04421	2.8
84.05225	3.0
98.02363	9.0
98.20515	5.9
104.48636	2.3
112.07551	5.8
125.07076	9.3
126.05458	3.6
143.08156	3.0
165.05357	3.0
191.53165	2.5
207.14926	3.1
224.17700	14.1
225.16010	30.0
242.18727	2.4
266.18561	2.8
268.29160	2.8
305.49252	2.6
309.21713	3.4
320.23483	4.0
333.22827	4.1
341.29276	5.7
433.31860	2.8
450.34317	7.3
451.32889	21.9
452.33102	3.5
528.28943	3.4
559.39716	7.5
577.40674	5.7
595.41754	7.5
607.42432	3.2
646.44940	6.3
663.48132	4.6
664.46210	5.1
665.49310	7.5
673.46667	59.9
674.46466	16.6
675.48071	58.5
676.48303	36.4
677.49457	38.6
681.49341	3.1
691.47589	100.0
692.47827	30.1
709.36206	2.9
709.48175	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	709.3656
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	0.4
56.95620	0.4
57.03297	1.0
58.00467	0.9
58.21739	0.5
59.01249	17.4
61.98699	3.4
69.03339	0.5
69.18856	4.6
71.01250	12.6
71.04877	0.4
72.99177	1.3
73.02820	3.1
75.00742	0.8
80.96378	1.4
81.03314	0.5
83.01256	1.3
85.02811	3.4
85.03255	0.6
87.00753	3.3
88.98653	0.6
89.02314	9.4
91.83595	0.5
95.01273	0.9
96.95886	0.5
97.02832	1.4
99.00752	1.0
101.02315	8.7
111.00763	0.5
111.04448	0.5
111.43864	0.5
113.02327	4.7
113.09597	0.6
115.07517	0.9
119.03388	3.6
125.02332	2.9
127.07511	0.8
128.08446	0.6
131.03395	0.8
132.63779	0.4
140.45547	0.5
143.03352	1.6
149.04512	0.6
161.04446	2.2
163.03912	0.5
167.14345	2.1
171.44000	0.4
179.05521	2.7
183.13823	1.9
195.13844	10.1
196.14297	0.6
211.13420	1.5
213.14844	1.1
221.06602	0.8
235.08023	2.2
239.23866	0.5
241.14204	0.5
242.15187	0.8
249.22124	0.5
265.21884	0.6
283.22940	0.5
293.21210	7.0
294.21631	1.1
305.08682	1.1
306.07498	0.8
311.22263	100.0
312.22647	9.9
397.13470	17.6
398.13919	1.9
415.14545	16.2
416.14890	1.5
444.00134	0.5
709.37714	4.4
710.37543	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.3073
Annotation	Unknow
Peak:m/z	Relative Intensity
57.63675	0.4
59.01256	3.9
60.17673	0.4
61.98689	2.7
69.03341	0.4
69.21472	3.2
71.01257	2.5
76.54666	0.3
77.97566	0.4
78.95782	0.4
80.35245	0.4
85.02836	1.6
89.02313	0.8
95.01258	1.2
98.19830	0.7
99.00735	0.4
101.02332	0.7
103.64793	0.4
108.02051	29.1
109.02855	12.4
121.02814	0.4
123.00787	1.3
127.48441	0.4
151.03899	2.3
152.01054	62.8
153.01622	3.3
163.03906	2.7
175.02373	0.4
219.03011	0.4
241.07103	4.3
253.42075	0.4
285.06061	1.2
417.10367	100.0
418.10663	9.1
641.02942	0.4
709.31702	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	709.2728
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	5.4
61.98683	2.5
62.46362	1.5
64.78416	1.6
69.67300	11.5
71.01239	2.6
72.99172	3.4
85.02832	11.6
86.02334	1.7
87.00780	2.3
88.98673	6.4
89.02341	3.8
94.06509	3.7
96.95870	2.9
98.19855	1.6
106.06494	6.2
108.04430	4.1
108.08057	2.6
121.05284	2.6
122.06010	33.5
124.03939	2.7
131.03456	4.3
131.04486	2.5
132.02945	3.0
134.06026	24.1
135.04404	2.4
136.03954	2.0
136.06535	3.8
136.07573	53.7
146.05998	5.0
149.04721	5.2
150.05504	7.0
154.04967	4.7
156.06587	2.3
157.30180	1.9
160.03931	6.5
161.04454	3.0
161.14473	1.6
162.05469	4.2
164.07091	92.8
165.07364	2.5
173.07065	5.0
175.02359	2.3
176.07118	2.7
178.05110	3.2
178.08665	5.1
191.08220	13.4
201.06635	3.5
203.08311	3.0
204.06578	3.5
205.09714	10.5
206.08151	16.8
215.08278	5.0
229.09822	3.0
230.08223	3.2
233.09286	44.2
233.11662	2.3
234.09581	2.2
239.08125	2.3
241.09766	4.0
244.09712	3.2
251.10274	40.1
252.10596	2.8
253.09825	5.1
258.07886	2.6
259.10803	3.2
267.06970	2.5
267.11395	1.8
269.04483	3.8
270.09894	1.9
271.10928	13.3
274.07166	4.3
277.12064	3.0
280.08514	2.4
281.09033	2.4
283.10840	3.3
287.09332	2.4
288.08710	11.4
293.16544	4.3
295.06033	4.8
295.11017	9.9
296.11612	4.2
301.11996	14.1
319.12906	11.0
321.08545	2.0
327.13376	2.2
328.10483	3.0
337.15244	14.9
339.13312	2.6
371.12195	2.1
381.14529	64.2
382.14963	5.3
407.12430	8.8
413.17221	5.4
415.10519	3.8
425.13513	35.6
426.13495	3.3
457.16187	79.7
458.16159	8.4
617.22540	2.0
633.25195	2.5
649.25171	27.2
650.24878	3.7
659.23895	6.2
660.23431	2.1
664.73798	2.1
677.24463	6.4
691.26129	60.6
692.26367	8.1
709.27258	100.0
710.27435	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	709.1983
Annotation	Unknow
Peak:m/z	Relative Intensity
55.33506	0.7
58.15705	0.7
59.01243	4.5
63.02261	1.0
65.00205	0.9
65.64986	0.6
68.57600	0.6
69.71384	1.6
69.71787	3.3
71.01250	1.3
73.02819	1.0
84.83366	0.7
85.71986	0.6
87.00726	0.8
96.95909	2.0
101.02364	0.7
104.03801	0.7
107.01273	2.1
116.92719	1.3
117.03386	3.1
122.06058	0.9
134.06061	0.9
136.07524	1.0
149.02338	1.7
151.00290	1.5
156.34279	0.7
159.04448	0.9
161.02376	0.9
164.07085	1.3
169.06487	0.8
179.05505	0.9
183.04369	0.7
197.05986	1.3
201.05453	1.0
225.05527	1.5
251.10217	1.1
253.09691	0.7
268.03824	5.4
268.12024	0.8
269.04544	100.0
270.04892	7.8
375.95819	0.8
437.16690	0.7
443.09683	1.2
458.36783	0.9
482.14856	0.8
562.63446	0.7
659.23230	0.8
691.26392	2.0
709.19672	34.1
709.32086	1.7
710.19928	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.3492
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01763	0.6
57.03326	1.3
58.00463	0.8
59.01247	22.4
61.27082	0.4
61.95409	0.4
61.98706	0.7
69.03334	1.1
71.01254	15.9
71.49343	0.6
72.99194	1.7
73.02811	2.5
81.03325	0.6
83.01272	1.7
83.04883	0.6
85.02819	3.5
87.00747	2.7
89.02318	15.1
93.03305	0.4
95.01296	1.1
95.04886	0.5
97.02823	2.0
97.06488	1.3
99.00772	1.0
101.02315	12.2
101.06139	0.3
111.00788	0.5
111.08041	1.0
113.02328	6.2
113.09632	1.9
115.07543	1.2
119.03375	4.0
125.02334	3.2
125.06007	0.6
131.03427	0.8
139.03894	0.7
139.11227	0.6
141.01805	0.7
141.09166	1.2
143.03386	1.9
149.04509	0.4
161.04465	2.8
165.12758	2.9
167.10681	0.6
167.14339	1.7
179.05498	3.4
181.12262	2.7
183.13828	1.1
193.12282	0.9
193.15881	0.6
195.13893	2.0
209.11748	0.4
211.13332	3.0
213.26895	0.5
219.17603	0.5
221.06642	1.0
221.15454	1.6
229.14458	0.6
235.08192	2.5
240.13623	0.5
247.20624	3.5
248.40315	0.4
253.09308	0.9
263.07672	0.8
265.21750	0.4
267.19836	0.5
273.18558	2.4
281.21164	1.5
283.34561	0.4
291.19662	28.5
292.19998	2.7
305.08899	0.4
309.20700	100.0
310.15417	0.4
310.21030	8.4
311.22263	0.6
397.13489	19.8
398.13751	1.7
415.14526	18.1
416.15057	1.3
432.27954	0.4
527.28290	0.6
707.34869	15.9
708.35309	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	708.166
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22388	0.7
59.01249	10.6
69.52434	0.9
70.97078	1.7
70.97424	1.1
71.01252	6.3
79.95600	1.8
80.96391	23.6
86.72803	0.7
89.02315	5.7
95.95123	1.4
96.82695	0.7
96.95889	73.9
101.02335	4.5
106.02148	1.1
106.02869	18.4
107.37765	0.7
110.53304	0.7
111.92664	0.7
113.02340	1.8
119.03370	2.4
176.98532	6.0
185.98576	11.7
188.00131	3.9
191.01881	1.0
203.99629	3.1
255.66437	0.8
301.67252	0.8
366.04968	100.0
367.05380	6.6
502.00497	0.9
513.48254	0.9
539.12695	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	708.2146
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01241	1.8
72.99174	4.3
75.00749	2.6
84.70457	0.5
87.00751	1.7
96.92358	0.4
96.95898	1.6
101.33926	0.4
105.01813	100.0
106.02132	1.7
117.03342	4.4
119.04910	12.1
120.05238	0.5
145.02852	20.6
146.03166	0.7
163.02531	1.1
163.03911	22.4
164.04256	1.2
180.39742	0.4
240.90573	0.5
251.05574	19.3
252.05858	0.7
290.58826	0.5
704.12683	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.3488
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80497	0.5
55.01747	0.8
57.03311	1.2
58.00449	1.6
59.01247	29.2
59.21124	0.5
61.98687	2.5
67.05499	0.6
69.03313	1.6
70.36695	1.4
71.01251	21.2
72.99174	1.9
73.02816	3.3
78.95747	0.6
83.01256	2.8
83.04908	1.5
85.02824	6.3
87.00758	4.7
88.61111	0.5
89.02311	17.0
91.13090	0.6
95.01239	1.2
95.04839	0.8
96.95884	0.6
97.02833	2.4
97.06451	1.0
99.00742	1.4
101.02315	14.2
109.02827	1.0
111.00803	0.7
111.08038	9.5
113.02341	6.1
113.09578	0.7
115.63543	0.7
119.03378	4.8
125.02330	4.3
126.80000	0.6
127.07523	0.7
130.06410	0.6
141.76321	0.7
143.03387	2.5
153.12720	1.3
154.34912	0.6
159.17807	0.8
161.04485	3.1
165.12759	1.6
167.10629	0.7
169.12192	3.1
170.88548	0.6
179.05557	4.4
181.12244	1.7
183.13820	1.9
195.13721	0.8
197.11752	33.3
198.12051	2.4
199.13309	2.1
209.11711	0.9
211.13290	5.8
221.06601	1.8
221.15456	1.0
227.12868	2.6
235.08183	3.2
247.20647	1.8
253.09221	1.3
263.20236	2.0
265.17999	1.2
273.18692	1.7
291.19653	23.8
292.19995	1.7
305.08713	0.8
309.20688	100.0
310.21008	9.1
397.09216	0.5
397.13467	23.4
398.13785	2.2
415.14517	28.8
416.14813	2.2
503.33102	1.0
509.94870	0.6
545.32819	0.7
550.07190	0.7
564.83771	0.7
707.34814	11.1
708.35461	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.3066
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01234	3.3
61.98693	6.6
69.71664	1.0
71.51479	1.9
74.57803	1.0
74.99128	1.2
80.96349	1.3
95.01275	1.1
106.73824	1.1
109.02805	2.6
115.19747	1.1
121.02782	1.6
133.02832	17.3
135.04405	2.6
140.54987	1.1
142.89325	1.2
147.04472	1.1
152.99484	1.6
161.02351	2.4
163.00255	2.6
163.03917	2.5
165.01837	2.9
175.03926	5.5
178.31116	1.3
199.03902	1.7
201.01828	2.1
211.13254	2.1
213.05458	1.4
224.48723	1.3
253.05023	2.2
269.04620	3.5
270.05179	1.4
277.21756	3.5
284.03299	6.3
285.04047	16.0
286.04401	1.4
297.04016	26.6
298.04776	16.2
299.05594	27.2
300.05966	2.1
309.03995	3.5
311.05634	6.8
324.02725	2.2
325.03354	2.1
327.05057	100.0
328.05414	10.5
337.03543	1.5
339.05115	9.6
341.06821	1.4
357.06113	51.2
358.06509	5.6
369.05905	2.2
411.07031	3.8
429.08047	5.6
530.00287	1.4
544.09326	1.4
689.29688	7.1
690.30560	2.3
707.30670	52.5
708.30646	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	707.3496
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01755	0.9
57.03312	1.5
58.00466	1.2
59.01253	24.6
61.98709	2.4
69.03322	1.5
70.36642	0.9
70.37032	0.7
71.01254	14.7
71.04886	0.5
72.99178	1.3
73.02824	2.9
75.00733	0.4
81.03308	1.0
83.01265	1.7
83.04903	0.5
84.22944	0.5
85.02821	3.7
87.00761	3.4
89.02319	14.7
91.03901	0.5
95.01274	1.0
95.04880	0.5
96.58791	0.4
96.95882	0.8
97.02827	2.8
97.06491	0.6
99.00760	1.0
101.02325	12.0
111.00771	0.6
111.08049	3.5
113.02325	6.7
119.03409	3.9
120.35410	0.5
123.08067	0.7
125.02341	3.2
125.09637	0.9
127.07554	0.5
141.12791	0.6
143.03403	2.3
149.04420	0.5
160.12474	0.5
161.04463	3.8
163.11160	2.1
164.84615	0.4
165.12750	4.1
167.03552	0.5
167.14307	0.5
169.12244	0.9
171.10239	0.5
179.05557	4.1
179.14351	1.3
181.12257	1.9
185.11931	0.5
191.14304	0.4
193.15906	1.6
197.11761	11.8
198.12016	0.6
199.13358	0.5
207.10350	0.7
209.11775	1.0
211.13330	2.8
221.06635	1.2
223.13370	1.1
225.44157	0.4
235.08246	3.3
247.20634	5.0
253.09245	1.6
253.22739	0.5
263.07837	0.8
263.19986	1.0
273.18582	1.8
287.07526	0.6
291.19662	47.4
292.19962	4.6
305.08649	0.6
309.20709	100.0
310.20999	7.9
323.09869	0.5
397.13483	19.7
398.13867	1.2
415.14545	27.4
416.14862	2.3
512.36078	0.6
689.33899	0.5
707.21423	0.9
707.35175	5.8
708.35425	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.3697
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01743	0.7
57.03312	1.7
59.01247	9.7
59.87090	0.7
61.98697	4.9
69.03300	0.9
71.01247	8.9
71.50050	1.1
72.99172	1.3
73.02816	2.4
80.02531	1.0
80.96396	2.1
81.03326	2.0
83.01258	1.7
83.04898	5.1
84.02042	1.5
85.02818	2.7
87.00703	1.5
89.02306	4.6
95.04889	1.1
97.02808	2.0
97.06467	1.0
99.00753	1.7
101.02333	7.4
108.78654	0.7
111.08038	1.7
113.02321	3.2
115.03918	0.8
119.03403	1.5
125.09595	0.8
135.08101	0.9
143.03372	1.0
161.04546	1.6
163.11191	4.3
165.12743	9.8
169.12245	1.9
171.10199	2.8
174.01724	0.8
179.05618	1.2
181.12321	1.3
183.13834	100.0
184.14162	5.0
191.10742	1.1
193.08348	2.4
199.13303	0.9
209.11774	57.0
210.12103	2.9
211.13336	3.5
225.11252	1.9
227.12823	11.7
235.08153	2.4
248.00806	0.8
249.84540	0.7
253.09288	6.8
295.22714	2.0
307.19229	2.4
337.03467	2.2
341.23392	5.4
397.13504	0.8
415.14352	1.5
419.22903	0.8
445.20786	2.1
457.27972	1.1
463.21841	3.7
499.29382	3.7
615.33691	0.9
655.33337	2.2
673.34344	75.3
674.34747	14.2
705.37823	4.9
706.37720	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.2933
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47566	1.9
55.42018	1.6
56.11182	1.7
59.01233	5.6
62.70013	1.9
77.72169	1.7
80.04923	8.9
94.02863	27.1
94.06477	3.3
96.95819	1.6
98.20759	2.9
104.04922	3.5
106.06485	4.8
107.03645	5.3
108.04413	3.2
122.06009	37.5
124.03879	2.3
130.21927	1.7
132.04439	2.6
134.06009	8.6
136.03908	2.7
138.05458	6.2
139.02682	2.9
140.01126	1.9
147.05551	2.0
150.03166	2.5
150.05446	8.6
152.07071	62.8
153.07446	2.2
164.07039	2.9
174.05521	2.5
180.06586	1.9
188.07065	5.4
190.05098	3.1
201.10275	8.1
206.91722	1.9
211.08681	3.6
213.10236	5.8
225.10432	2.8
226.10725	2.0
227.11838	3.3
229.09830	9.5
229.13469	2.5
235.08766	2.5
237.10323	2.9
239.11877	7.1
245.12982	10.4
247.10699	2.3
249.10196	2.4
250.07455	3.2
251.08206	1.9
253.09637	4.2
255.11308	5.2
257.12924	5.9
263.08176	2.2
265.09839	9.0
266.10461	2.5
267.11356	5.8
273.12405	3.3
277.09818	3.6
278.06888	5.4
278.10333	2.8
279.07779	6.9
279.11261	4.2
293.09387	17.1
294.10043	4.0
295.10873	8.7
297.12268	2.3
301.11957	13.9
307.10895	3.6
309.12378	4.5
313.11862	4.8
319.12967	37.2
320.13177	2.9
323.10312	7.2
327.13605	2.3
337.08340	10.1
351.09860	2.2
355.12946	3.6
358.11902	2.1
374.14987	8.8
392.16034	5.4
416.16034	5.4
417.16873	2.5
431.18591	2.4
434.16882	4.1
458.17383	2.1
459.18051	4.8
460.18970	3.4
474.20300	2.6
476.18472	4.0
503.16721	4.3
504.17651	11.7
505.18277	2.7
518.19165	14.0
519.19550	3.2
539.22931	8.1
550.22003	20.7
551.22131	4.9
557.23724	5.5
581.24030	8.3
582.24194	2.5
583.22137	5.4
599.25037	42.2
600.25635	8.8
615.24402	8.3
625.23224	4.5
631.27386	7.4
643.14215	3.6
643.24158	45.8
644.24689	12.5
647.26263	2.2
657.25189	8.7
675.26666	100.0
676.26898	25.7
689.27911	3.5
707.18018	3.2
707.29315	19.8
708.29626	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	703.4557
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	5.5
61.98710	10.8
67.18640	3.5
70.70006	6.5
70.70336	4.6
70.94244	3.6
78.95776	100.0
96.78184	3.4
96.96843	7.9
99.08237	3.7
99.34389	3.7
106.39707	3.3
118.33682	3.1
139.70349	4.3
143.29349	3.6
152.99496	48.6
178.06516	4.0
217.00252	5.9
226.68190	3.3
255.23306	64.3
256.23676	9.9
293.21149	4.9
311.22263	8.5
391.22562	30.8
392.23126	5.9
409.23630	12.0
425.18140	4.0
447.21524	7.5
578.26587	4.5
631.82483	3.7
646.08441	4.0
703.45435	36.0
704.45367	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	704.2207
Annotation	Unknow
Peak:m/z	Relative Intensity
56.21205	0.1
59.01247	7.4
60.01588	0.6
61.01676	0.2
61.98700	100.0
62.98382	0.1
64.54415	0.1
64.91000	0.1
71.15005	0.2
80.90392	0.1
180.92010	0.1
223.65538	0.1
227.44827	0.1
440.13132	0.2
441.13641	0.2
452.04730	0.1
454.14240	0.1
455.15143	0.1
482.15341	0.3
483.15335	0.8
484.15442	1.5
485.16064	0.2
497.16852	0.2
498.17130	0.6
499.18317	0.2
500.18741	0.2
542.15936	0.4
543.16968	0.5
555.18604	0.1
556.18848	0.4
557.18860	1.7
558.19104	3.3
559.19482	0.2
574.15387	0.4
575.15619	1.0
588.17310	0.1
589.17322	0.4
612.20648	0.1
643.22638	0.4
644.22858	1.8
645.22430	0.2
703.24896	0.6
704.24609	5.1
705.23987	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.3829
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98694	72.0
71.06660	100.0
74.29244	45.0
78.95765	52.5
92.50896	46.2
99.98526	49.6
168.02689	43.1
240.28850	49.5
245.69673	56.3
255.23259	62.2
270.83792	45.9
273.93948	43.8
277.21243	47.1
724.65240	58.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.3911
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46912	0.8
52.77282	0.9
55.01749	1.9
57.03324	1.0
58.00473	2.1
59.01249	49.8
61.98692	2.5
63.44417	0.8
66.48126	0.9
68.99688	1.0
69.03336	2.6
71.01253	43.9
71.51061	1.0
71.51446	1.0
72.99181	5.0
73.02822	6.7
75.00754	1.3
78.88872	0.9
78.95770	2.1
81.03316	2.4
83.01250	5.3
83.04897	0.8
85.02821	10.1
85.99990	0.8
87.00756	10.6
89.02314	43.1
95.01234	2.5
97.02824	9.7
98.20395	0.9
99.00751	2.5
101.02321	35.4
105.63377	1.1
113.02330	19.8
119.03403	15.0
121.02765	1.0
125.02343	16.4
131.03374	2.2
133.05019	2.0
138.52289	0.9
139.03891	1.8
143.03407	5.7
149.04453	1.4
152.99458	1.3
161.04457	8.3
179.05519	8.2
221.06667	2.3
233.58839	0.9
235.08200	16.4
236.08446	1.3
253.09203	4.4
255.23219	1.1
263.07755	1.5
277.09314	1.2
287.07813	3.3
305.08752	4.9
305.24847	100.0
306.25226	12.4
323.09747	1.7
397.13470	88.7
398.13782	7.1
415.14523	34.8
416.14746	2.4
467.35287	1.0
533.14478	1.1
565.65295	1.2
625.59888	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.4555
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01236	12.7
61.98703	11.2
67.54105	3.8
71.49288	6.4
78.95773	100.0
87.18706	4.5
96.96880	8.3
120.90330	4.2
144.68034	4.7
145.40500	4.3
146.96645	4.5
149.52782	4.2
152.99480	58.7
217.00186	11.3
255.23291	69.2
311.22244	12.0
319.06375	4.9
380.60370	4.9
391.22531	32.0
409.23746	8.9
447.21841	9.8
519.47296	5.8
703.45514	42.5
704.45380	7.5
710.88513	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	703.3181
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01740	1.9
57.03315	4.8
57.44182	1.4
59.01249	35.9
61.98681	4.4
70.57355	3.6
71.01251	29.1
71.29694	1.7
72.99183	20.8
73.02811	8.5
75.00735	12.5
80.96390	1.8
83.01266	7.7
85.02825	6.4
87.00746	22.4
89.02318	9.4
93.33565	1.4
95.01223	2.0
96.95897	2.0
97.06451	1.6
99.00756	13.1
101.02323	15.6
111.00748	5.7
112.98682	23.8
113.02327	7.0
113.99462	2.7
115.00255	26.1
119.03386	2.3
121.02804	1.7
125.02350	2.3
127.03925	2.8
129.01785	4.4
135.02849	3.1
139.03937	2.0
142.99770	20.2
145.01323	3.2
156.00620	3.1
157.01358	1.6
161.04488	7.9
165.12741	1.7
173.00885	9.8
174.01619	98.5
175.02403	35.4
177.05437	1.7
179.05563	24.2
183.13766	1.7
207.13699	1.5
232.15919	1.5
235.13385	1.8
253.09254	21.1
275.20114	2.7
293.21234	100.0
294.21625	9.3
305.21039	5.9
307.22842	2.4
311.62625	1.7
317.21140	2.7
319.22662	4.7
327.19388	2.3
331.19012	4.2
333.20825	1.9
345.20621	10.6
437.25342	2.2
455.26495	3.6
457.96890	1.5
497.27505	18.4
498.27530	1.8
529.30182	7.8
567.27875	9.5
569.29456	3.6
579.28235	2.6
581.29883	5.2
585.29150	14.9
586.29724	2.7
597.28644	3.4
599.30487	4.7
603.30328	2.2
607.27496	8.1
608.27759	2.1
623.30597	2.0
625.28510	6.4
637.28992	4.7
643.29523	7.9
649.28052	2.7
667.29565	2.5
685.30804	6.2
703.30737	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	703.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25117	1.3
52.47202	1.3
59.01247	4.1
60.51154	1.2
69.03320	2.3
71.01246	7.7
71.50479	1.9
73.93477	1.3
75.00725	2.5
75.75563	1.4
78.98451	6.0
79.95596	13.8
80.96387	61.8
85.02831	3.0
87.00736	5.3
94.97959	15.8
96.95893	2.1
101.02358	3.3
115.00256	1.9
120.99507	3.2
122.97445	5.5
125.02311	3.3
134.97479	4.2
136.99028	1.9
148.98988	3.6
149.02376	1.5
152.98534	5.8
164.98534	11.2
175.02386	2.5
206.99649	3.8
225.00719	26.4
226.03012	1.4
243.01878	2.0
299.04398	3.0
376.33041	1.5
471.15326	3.9
482.60855	1.5
527.17871	7.2
643.19183	4.4
685.19312	3.0
703.21216	100.0
704.21503	16.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.3183
Annotation	Unknow
Peak:m/z	Relative Intensity
56.91472	2.3
57.03326	4.1
59.01249	23.9
61.98701	3.3
64.09063	2.1
66.70721	2.3
67.01715	2.0
71.01250	40.0
72.99181	25.4
73.02805	4.6
75.00745	16.2
75.33181	2.0
77.99647	2.1
78.98440	2.8
79.95593	7.7
80.96391	24.7
83.01248	7.2
83.04917	2.6
85.02803	6.9
86.08695	2.0
87.00750	26.0
89.02307	12.9
94.97952	6.1
96.62478	2.2
96.95889	3.6
99.00759	18.3
101.02300	15.6
109.06434	2.7
111.00739	8.3
112.98685	33.8
113.02338	6.5
115.00255	42.5
116.00594	2.1
117.76723	2.3
119.03397	2.5
119.87276	2.3
121.02806	4.0
127.03854	2.5
129.01843	4.6
134.97466	3.4
135.02855	4.2
142.99780	26.5
145.01320	5.0
145.02777	2.7
147.04355	3.3
148.99095	3.5
156.00504	2.9
159.04417	3.0
161.04480	3.9
161.05920	2.3
163.11122	3.4
164.98541	5.3
165.12700	3.0
173.00836	10.3
174.01611	92.5
175.02412	49.7
183.13753	3.0
206.99501	2.7
208.50728	3.0
225.00703	6.9
228.33862	2.4
239.12997	4.3
253.09271	21.8
277.21722	3.0
281.18942	2.6
293.21219	100.0
293.24542	4.9
294.21497	9.7
299.19992	4.7
305.21225	7.4
313.18085	4.1
315.19638	5.7
317.21213	8.1
319.22754	4.9
327.19629	6.7
329.21295	2.6
331.19040	8.3
333.20642	6.5
335.22330	2.6
343.19229	4.8
345.20618	13.8
371.18692	3.6
385.23798	2.5
512.22607	4.2
529.30463	7.6
567.28448	13.0
569.29932	3.4
579.28162	9.6
581.29590	8.9
585.29218	24.5
586.29565	3.5
595.27124	4.1
597.29340	12.0
599.20636	2.7
599.30365	4.9
603.30072	3.4
607.27570	34.6
608.27997	5.5
611.30426	2.4
625.28577	17.2
626.29645	3.9
637.28784	16.8
643.29828	10.4
649.29022	5.3
667.29626	13.0
668.29614	2.7
685.30566	15.9
686.30725	3.4
703.29858	35.3
703.39301	3.3
704.30756	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	701.3234
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01747	2.0
57.03319	1.4
58.00449	1.4
59.01251	35.7
61.98698	8.1
67.09846	1.3
69.03330	2.0
69.15362	13.1
71.01251	32.5
72.99186	4.7
73.02837	6.9
74.39111	1.3
78.95782	2.1
81.03315	1.8
83.01259	4.8
83.04875	1.4
85.02814	5.6
87.00758	9.3
89.02319	54.5
93.28845	1.1
96.95880	1.7
97.02827	2.9
98.19827	2.1
99.00714	1.7
101.02325	21.5
113.02328	8.9
117.01875	1.4
118.24758	1.3
119.03399	5.1
123.04366	1.7
125.02343	4.7
131.03387	1.5
135.98238	2.9
136.05186	2.8
143.03397	3.6
150.06743	12.2
161.04462	3.8
162.06744	2.9
163.03859	1.6
163.07545	7.6
165.09145	3.2
167.03423	2.0
172.68781	1.6
175.02388	2.5
177.09090	2.0
179.05537	5.3
179.10718	4.8
181.56815	1.4
183.13817	9.6
211.13342	100.0
212.13675	4.6
235.08220	4.5
253.09216	1.6
287.07623	2.6
304.05679	1.4
305.08740	4.1
317.21143	3.9
346.53064	1.4
372.23105	1.3
387.25412	7.2
397.13495	70.0
398.13776	5.5
404.25470	6.6
413.26987	3.7
415.14529	23.1
430.27313	3.7
451.30881	1.5
497.27777	19.9
497.35101	4.0
498.27820	3.7
521.31274	1.9
539.28510	34.7
540.28979	4.5
597.28564	1.5
609.27533	18.5
609.76007	1.3
610.28046	2.1
615.29456	1.3
641.39960	1.6
683.36597	3.5
701.37531	75.5
702.38025	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	702.2247
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52814	2.8
55.01744	3.5
57.03320	22.3
59.01248	8.2
71.01232	8.4
71.31918	6.0
75.22211	2.7
83.01260	8.2
83.60814	3.2
85.02819	100.0
88.80910	2.9
94.93848	3.1
98.19930	3.4
101.02327	6.8
107.40102	3.1
111.00749	37.4
115.07523	13.2
129.01833	53.3
161.35982	3.1
187.02310	5.5
205.03476	48.8
210.80399	3.1
223.04634	4.5
313.57526	3.4
321.11938	52.9
322.12061	4.3
546.22375	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	702.3337
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	0.5
61.36054	0.1
61.98701	100.0
62.98410	0.2
71.49965	0.1
71.50427	0.2
78.95784	0.2
80.96395	0.2
96.95886	0.2
117.63074	0.1
120.40836	0.1
146.05988	0.2
152.26904	0.2
171.10115	0.2
183.13716	0.1
211.13350	0.5
213.66882	0.2
214.05029	0.2
230.95697	0.2
255.23390	0.1
318.02927	0.1
671.33344	0.2
703.30371	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.2463
Annotation	Unknow
Peak:m/z	Relative Intensity
54.73801	0.9
59.01247	100.0
61.98705	2.7
66.27895	1.0
71.30683	2.1
74.45042	1.1
75.44176	0.9
95.37543	1.0
111.80231	1.1
121.02841	2.9
209.04514	3.9
268.57611	1.2
374.27042	1.2
384.25018	1.1
436.37115	1.3
438.13345	4.8
439.13364	2.5
447.54315	1.1
452.14926	1.6
453.15491	1.4
470.11935	1.6
481.15128	42.4
482.15491	10.3
495.16736	10.9
496.17419	2.2
497.18323	4.7
514.14886	2.3
525.14075	2.9
539.15936	2.2
540.16443	9.9
540.23999	1.7
541.16675	1.9
553.16986	1.4
554.17511	2.1
555.18823	72.1
556.19092	18.1
567.18903	3.4
572.15387	18.9
573.15881	6.2
586.16962	4.6
641.22626	30.2
642.22827	10.7
701.24634	61.0
702.24933	17.7
705.22943	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.3237
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25963	1.1
53.51883	1.2
58.00464	1.8
59.00957	2.0
59.01249	31.2
61.98695	4.0
69.03308	2.5
69.25632	12.0
71.01249	24.5
72.99184	2.4
73.02812	4.9
83.01253	3.8
85.02831	6.5
87.00751	5.1
89.02312	25.0
94.58803	1.1
95.01221	1.3
96.95850	1.7
97.02805	1.8
98.19807	2.2
101.02318	18.7
113.02321	10.8
119.03381	7.8
123.04375	1.4
123.08085	1.3
125.02327	4.9
137.09567	1.3
143.03395	2.1
150.06755	3.5
153.09137	2.0
161.04433	4.5
163.07518	2.2
179.05504	4.2
179.06999	1.3
179.10577	1.7
183.13884	6.7
193.12163	3.0
199.09575	1.5
211.13329	100.0
212.13693	6.2
217.10583	1.3
231.12369	5.7
235.08240	7.3
253.09451	1.5
269.82013	1.3
271.19238	1.3
287.07590	1.9
305.08826	2.2
339.12280	1.3
397.13470	70.4
398.13791	6.0
408.18314	1.2
415.14508	24.9
416.14767	1.5
609.27521	17.4
610.27838	2.7
701.37842	22.5
702.37769	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	700.152
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	7.6
60.01579	0.7
61.01665	0.8
61.98699	100.0
70.08531	0.6
125.60183	0.6
148.82983	0.6
178.11996	0.6
532.69110	0.6
561.05408	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	700.4138
Annotation	Unknow
Peak:m/z	Relative Intensity
55.43920	0.4
61.98701	100.0
70.77074	0.4
71.51205	0.4
97.43609	0.4
97.91106	0.4
100.10065	0.4
104.55219	0.4
106.66043	0.5
179.21458	0.5
187.64961	0.4
209.11789	0.5
255.23431	0.8
276.85794	0.4
306.40762	0.4
391.94684	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.246
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	100.0
67.69441	0.9
71.27984	1.7
71.28333	1.3
76.56026	1.2
83.24747	1.1
103.28757	1.1
116.78660	1.1
330.22913	1.2
437.12595	1.2
438.13461	4.1
452.14627	2.0
453.15582	1.3
481.15121	29.3
482.15390	8.1
495.16803	10.6
496.16858	3.1
497.18402	6.9
498.18933	2.2
514.14722	2.7
515.15240	1.2
525.14172	1.2
539.15967	2.0
540.16431	7.4
541.16486	2.3
554.18018	3.3
555.18805	60.5
556.18994	14.5
572.15454	17.1
573.16016	2.3
586.17004	6.4
587.17072	1.6
609.19861	1.4
627.20758	1.8
641.22552	30.1
642.22742	8.5
701.24628	68.1
702.24860	17.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.2656
Annotation	Unknow
Peak:m/z	Relative Intensity
61.89184	1.4
68.10728	1.4
70.27238	4.5
88.98653	1.5
94.28146	1.3
96.95870	4.3
98.19914	1.9
118.06471	2.0
121.02830	4.6
135.04369	1.8
137.02301	4.2
138.00591	1.3
146.03629	2.2
147.04388	6.7
150.03111	6.0
158.03654	3.0
159.04399	8.2
160.01471	1.8
160.05177	18.8
161.05949	9.2
162.03239	1.5
163.03873	5.4
164.04665	4.2
173.06009	3.6
175.03871	1.4
175.07545	12.7
177.05429	7.2
178.06221	1.8
237.05402	2.4
238.06230	3.9
239.07080	3.1
253.05000	2.5
254.05779	6.6
255.06517	4.9
265.08713	2.5
266.05878	7.2
267.06583	13.5
268.07224	2.4
269.08218	18.9
270.08731	4.5
281.08145	22.1
282.08792	7.0
283.09747	1.8
284.10400	3.1
285.11304	1.7
296.06412	2.5
302.07751	3.2
314.07852	5.1
316.09418	3.5
328.09399	1.7
371.14905	1.9
417.13028	1.8
429.13504	1.8
432.15826	2.5
444.15955	8.7
447.18332	6.9
459.18207	7.5
462.16537	2.8
474.16611	5.8
477.19177	78.6
478.19598	9.9
489.19174	100.0
490.19427	14.5
507.20206	56.7
508.20688	8.6
519.20184	36.6
520.20386	5.0
537.21051	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	699.264
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13619	1.1
57.03325	1.1
58.00452	2.6
59.01247	63.1
60.01608	1.1
61.98701	84.3
69.69366	6.8
71.01251	44.7
72.99193	3.7
73.02785	1.0
85.02808	6.2
87.00749	4.3
89.02312	72.8
90.42201	1.1
91.35123	1.1
95.01265	3.7
96.95891	8.3
101.02317	21.9
108.02023	2.1
109.02790	2.0
113.02328	20.1
119.03382	27.2
121.02870	2.0
123.04421	1.9
125.02335	1.3
131.03430	2.8
135.04387	2.9
136.01561	23.7
137.02306	2.1
143.03398	4.5
146.03662	2.3
147.04382	4.4
149.02353	2.3
149.04399	2.9
149.13446	1.3
150.03169	3.5
151.03912	18.3
158.03644	2.6
159.04373	5.1
160.05220	5.0
161.04463	4.5
161.05965	7.3
162.03210	1.2
163.03889	5.1
164.04591	2.2
173.05998	3.8
175.03949	3.2
175.07547	4.8
176.04706	2.1
177.05463	4.7
179.05556	12.0
179.07060	1.9
189.05515	2.9
198.71059	1.4
203.07143	1.9
204.73250	1.3
238.06345	5.3
239.07069	4.5
244.07477	1.2
250.06264	1.8
251.07037	1.2
264.07956	1.5
265.08792	2.0
266.05774	9.5
267.06589	21.0
268.06909	2.1
280.07162	1.7
281.08124	25.6
282.08939	7.6
293.08292	1.8
295.09717	1.6
296.06876	2.2
296.10382	1.9
301.11035	1.4
307.09769	3.3
308.10535	2.3
309.11172	2.2
314.07928	4.4
320.10663	1.6
321.11069	1.7
322.12189	1.4
326.11765	1.4
328.09509	2.6
338.11423	2.3
341.13889	2.2
353.13821	1.7
368.12592	1.9
411.07089	1.5
429.13416	5.5
443.15125	1.4
444.15753	10.9
447.18137	4.8
456.15781	1.6
459.19098	7.5
474.16870	4.8
477.19177	5.3
489.19202	86.5
490.19470	13.4
507.20291	22.6
508.20566	4.2
519.20209	15.9
520.20593	2.5
537.21277	100.0
538.21490	14.6
681.25336	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	697.3652
Annotation	Unknow
Peak:m/z	Relative Intensity
56.21589	0.6
57.03312	1.5
58.22016	0.5
59.01250	17.6
61.98700	3.9
65.85060	0.6
65.91945	0.5
69.20883	4.9
71.01252	12.3
71.04887	0.7
72.99165	1.2
73.02837	3.0
75.00745	0.7
83.01255	1.8
85.02827	5.8
87.00751	3.2
88.98660	0.6
89.02309	7.3
95.01248	1.3
97.06466	5.2
99.00736	1.2
101.02329	7.8
111.00759	0.8
113.02329	4.8
113.66927	0.6
115.00269	0.7
116.92738	2.1
117.92722	0.9
118.92531	0.6
119.03375	2.3
125.02317	1.3
125.09606	1.1
129.51874	0.5
135.04478	0.9
151.00278	0.8
155.10719	0.5
161.04442	2.1
171.10190	2.9
175.02502	0.6
177.41609	0.5
179.05568	5.2
185.11758	1.4
217.14560	0.6
257.17563	8.9
267.06512	0.6
271.19141	1.1
323.81439	0.7
337.23529	0.7
343.24878	1.4
349.78961	0.6
355.24847	8.4
356.24997	1.0
361.18616	1.8
373.25925	15.5
373.30667	0.8
374.26443	1.7
391.19717	3.7
400.40445	0.6
438.51620	0.6
457.28055	1.2
517.30145	49.9
518.30585	8.0
535.31213	100.0
536.31488	14.5
592.10675	0.6
697.36060	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	697.2836
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	15.7
61.98706	10.8
69.03332	1.3
69.62168	1.5
71.01251	6.9
71.50903	2.2
72.99157	2.1
73.02856	1.2
75.00733	7.7
78.95776	100.0
80.02502	1.7
80.96413	3.5
83.01261	2.1
83.04881	1.6
84.30357	1.7
85.02821	3.2
87.00739	4.1
89.02323	2.0
96.95911	2.3
96.96827	6.5
96.97378	1.5
99.00752	8.5
101.02311	3.2
111.00786	3.1
111.07986	2.3
112.98692	2.0
113.02320	1.8
113.99487	2.4
115.00254	4.8
121.02811	2.3
127.11150	2.0
128.01062	2.0
129.09129	1.6
135.02873	3.8
135.04404	1.6
142.99759	4.4
145.33545	1.6
146.79311	1.5
151.87503	1.3
152.99489	86.3
156.00565	9.3
162.06776	3.6
163.07605	1.8
165.12755	5.6
169.12299	3.1
171.00557	26.7
172.00911	1.8
174.01643	15.3
175.02254	2.0
178.09897	4.1
183.22710	1.4
197.11775	1.8
227.03273	7.0
237.14844	1.6
245.04355	2.9
279.23267	1.8
289.21765	2.3
293.21194	4.0
295.22787	57.3
296.23041	6.5
307.22864	11.1
315.19571	2.2
317.21207	3.0
319.22784	4.0
329.21201	4.3
333.20706	14.2
335.22272	2.1
347.22241	4.0
371.22031	2.5
373.19992	2.6
389.23242	5.0
449.36365	1.6
483.38354	1.6
493.35333	4.0
521.25171	3.6
523.26740	63.8
524.26929	7.6
561.24603	16.1
562.24530	2.0
579.25647	15.1
580.25818	2.1
599.26245	5.1
601.24243	3.0
607.25610	2.1
617.27161	9.9
619.24951	2.0
625.24164	2.5
635.28442	10.8
637.26440	3.8
643.25427	8.1
661.26251	22.2
662.26129	3.1
679.27405	33.0
680.27594	5.8
697.28394	44.3
697.39990	2.7
698.28870	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	697.177
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	100.0
60.01588	1.2
61.98703	1.1
71.01268	0.4
82.72196	0.3
108.05305	0.2
121.02840	2.2
162.06804	0.5
171.10196	0.4
174.01610	0.4
191.03392	0.8
209.04546	1.3
289.18121	0.4
291.19727	0.6
292.19885	0.5
309.20779	1.0
310.21149	0.6
378.48706	0.3
465.25436	0.3
593.13226	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.2501
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	4.7
61.98703	1.4
69.39592	5.7
70.63606	0.6
71.01231	3.6
88.39782	0.8
89.02322	5.1
101.02348	1.5
102.54570	0.7
108.02061	6.8
109.38125	0.8
116.83410	0.7
119.03371	1.6
121.02856	2.3
123.04423	2.4
131.06850	0.7
135.04420	1.1
136.01587	1.4
145.02878	1.7
146.03645	1.1
150.03107	1.8
151.03908	2.6
159.04428	1.4
164.04688	0.9
165.05437	0.9
171.85034	0.8
210.50993	0.7
235.07722	0.7
249.09094	0.9
261.05612	1.2
261.09323	0.8
264.04318	0.7
264.07986	0.7
265.05197	0.8
265.08710	0.9
266.09433	1.4
277.05023	2.4
277.08347	1.4
278.05850	1.0
279.06641	2.0
280.07330	2.2
281.04803	0.8
284.07068	0.8
287.07230	1.2
288.07886	0.9
289.05127	1.0
289.08719	1.0
290.05713	0.8
291.06659	1.4
292.07376	0.8
293.08221	2.7
294.08926	2.8
295.09729	1.7
296.06903	1.0
304.07416	0.9
305.08209	4.0
306.08868	1.5
307.06107	1.2
307.09628	1.1
308.06995	1.4
308.10345	1.0
315.06668	0.8
317.08124	1.1
318.08801	0.8
319.09683	1.0
320.10510	1.1
321.07611	2.1
321.11264	0.8
322.08389	5.9
323.05447	1.3
323.09222	18.5
324.09561	2.0
333.07651	1.1
335.09137	1.5
336.09961	1.2
337.10822	16.2
338.11584	9.2
351.08771	2.0
365.10205	1.6
366.11118	7.0
378.11295	1.5
379.11963	0.9
381.13434	22.9
382.13785	3.2
393.13400	1.3
397.10690	1.6
407.09357	1.1
408.09729	0.8
409.10580	0.9
424.09061	1.1
425.10309	1.1
427.11578	1.3
439.11917	2.9
440.12292	0.9
441.13589	3.4
442.13974	2.0
444.15979	0.9
451.11908	1.2
455.14893	1.2
456.15872	1.6
457.13062	2.9
458.13428	1.1
469.12604	3.8
471.18570	1.3
472.15237	2.5
481.16312	0.8
484.15118	1.6
487.17844	12.3
488.17828	1.8
499.17615	10.5
500.17700	1.6
505.18890	6.2
517.18658	100.0
518.19000	14.9
535.19897	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	695.4731
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06842	1.2
59.01240	5.6
61.98711	2.0
66.38461	1.1
71.51223	1.8
92.20067	1.2
94.22160	1.1
151.07538	1.9
163.11188	2.7
165.05429	1.3
165.12723	4.9
171.10109	1.5
179.14313	1.6
181.12219	1.7
193.15927	1.9
209.11948	1.6
209.15456	2.7
217.66025	1.3
223.13333	3.1
247.20592	7.7
273.18631	2.0
273.30991	1.1
291.16333	2.2
291.19656	55.3
292.19955	5.5
309.17676	4.0
309.20685	100.0
310.21048	9.5
347.15308	1.6
372.43481	1.2
385.12674	3.7
695.39453	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	695.4733
Annotation	Unknow
Peak:m/z	Relative Intensity
56.26982	1.6
59.01248	9.1
61.98683	4.0
69.00892	1.4
70.25430	6.2
78.95746	1.7
111.08046	18.1
112.08450	1.5
124.58145	1.7
169.12254	8.4
169.32268	1.7
171.10150	4.3
181.12251	2.1
194.04660	1.7
197.11748	76.9
198.12045	4.9
199.13289	2.4
211.13326	9.6
263.20090	2.9
265.18170	2.4
288.89578	1.8
291.19650	15.4
309.20709	100.0
310.21011	10.6
311.22299	17.3
385.26044	2.1
649.60413	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	695.4726
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	49.0
61.98696	20.6
71.49676	4.8
83.04876	5.0
85.39110	4.5
95.71980	4.1
103.97966	4.5
111.08033	10.6
115.00265	6.3
117.80575	5.5
162.03505	5.5
171.10161	8.3
175.02348	10.6
197.11769	63.7
211.13464	8.7
291.19672	11.2
309.20676	100.0
310.20987	9.5
311.22226	12.8
676.69348	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.4655
Annotation	Unknow
Peak:m/z	Relative Intensity
56.37086	0.6
59.01263	1.3
61.98715	1.1
69.60255	4.6
78.95773	72.8
91.95144	0.7
96.96830	8.3
98.19903	1.4
134.98424	1.1
151.19548	0.7
152.99484	50.8
153.99834	0.7
256.86963	0.7
279.23273	100.0
280.23596	9.0
317.77557	0.8
371.87500	0.8
415.22556	32.5
416.22760	3.9
433.23624	12.0
434.23657	1.5
528.82178	1.0
637.04504	1.0
695.46594	11.3
696.46942	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	695.4656
Annotation	PA(18:2(9Z,12Z)/18:2(9Z,12Z))
Peak:m/z	Relative Intensity
59.01256	1.9
61.30442	0.4
62.96293	0.6
63.14528	0.4
69.11305	0.4
69.70813	2.3
69.72332	0.4
75.71140	0.3
78.95773	65.4
82.08698	0.4
91.98619	0.5
96.96838	6.3
96.97427	0.5
124.07997	0.4
134.98392	0.9
152.99487	48.5
153.99843	1.1
171.00566	0.6
192.95860	0.8
217.00206	1.1
227.99481	0.4
236.87120	0.4
279.23279	100.0
280.23624	9.2
281.24860	0.7
366.92059	0.6
415.22528	34.9
416.22934	4.3
433.23621	12.3
434.23917	1.3
438.84613	0.4
695.46515	11.3
696.46698	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	695.3493
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77699	0.7
55.01742	0.9
57.03310	1.2
58.00452	0.8
59.00961	1.1
59.01251	20.0
61.98702	1.8
68.66702	0.8
69.03325	0.7
70.43427	0.7
71.01256	13.7
72.99177	2.0
73.02821	4.9
83.01241	1.8
85.02821	5.4
87.00745	3.2
89.02311	11.2
95.01270	1.6
96.70696	0.6
96.95894	0.8
97.06429	1.5
99.00771	1.4
99.04340	0.8
101.02333	8.9
113.02319	6.1
116.92729	3.5
118.78529	0.9
119.03367	3.3
122.06036	0.7
125.02332	2.0
125.09623	1.4
130.08643	0.7
130.38412	0.6
135.04437	0.9
150.87682	0.7
155.56503	0.7
161.04480	3.2
171.10176	5.1
179.03392	0.7
179.05495	5.1
185.11717	2.2
197.11761	1.0
199.13341	1.3
209.15434	6.9
212.14528	0.8
265.18121	1.0
341.23291	1.9
353.23270	9.5
354.23749	1.1
359.17215	1.8
371.24359	16.8
372.24704	2.2
389.18106	8.3
390.18579	1.4
515.28589	49.4
516.28778	7.4
533.29657	100.0
534.30072	14.0
651.28796	1.5
695.26135	5.0
695.37823	1.1
696.28052	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	695.3491
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73209	0.9
57.03317	1.1
58.00465	1.1
59.01243	18.8
61.98690	2.5
70.45659	0.9
70.60606	0.8
71.01246	17.2
71.04892	1.4
72.99171	2.3
73.02822	7.3
74.81185	0.9
81.03291	0.9
83.01254	1.6
85.02800	5.1
87.00765	5.0
89.02317	7.3
89.60115	1.0
92.49398	1.0
95.01221	1.5
95.25901	0.9
95.92091	0.9
98.19798	2.7
99.00748	2.3
101.02325	10.1
113.02335	4.4
115.00270	1.4
116.92741	4.3
119.03407	2.0
121.02866	1.0
123.07981	1.1
125.02295	1.9
125.09568	1.4
131.46077	1.1
161.04424	1.7
171.10155	4.1
175.02376	2.2
179.03354	1.1
179.05486	2.8
184.73940	1.1
253.05092	1.2
311.22266	3.2
325.07355	1.2
335.22034	1.7
353.23251	9.5
354.23672	1.2
371.24329	13.0
372.24380	1.1
515.28625	9.1
516.28967	1.4
520.20557	1.9
533.29694	21.3
534.29688	3.7
688.71521	1.0
695.34918	100.0
696.24084	2.0
696.35242	23.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.3137
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01753	1.0
57.03316	1.2
58.00467	1.2
59.01250	41.7
61.98705	6.5
69.03365	0.5
71.01254	22.8
71.10158	0.5
71.30005	1.1
72.99174	2.1
73.02814	4.2
75.00768	0.6
78.95769	0.9
83.01262	3.9
83.04903	0.6
85.02820	7.5
87.00755	2.4
88.98667	0.8
89.02319	10.2
95.01270	1.4
96.95882	0.9
96.96869	0.6
99.00735	1.5
101.02322	14.0
111.00765	1.0
113.02338	6.2
116.92744	1.6
119.03411	2.8
124.32153	0.5
125.02355	0.9
139.16612	0.5
149.04547	0.7
150.06772	0.6
152.99525	0.6
157.13295	0.5
161.04468	1.3
174.01627	3.7
175.02399	1.2
179.05583	0.8
191.30318	0.5
210.81438	0.5
239.20107	0.5
264.59415	0.6
285.20651	1.8
291.40906	0.6
311.22269	1.9
371.24054	0.6
402.87128	0.5
429.24966	4.2
447.25961	10.7
448.26141	1.4
471.26099	1.4
477.24832	1.6
489.27094	6.7
490.27325	0.7
559.25067	0.7
591.30365	1.6
592.80981	0.6
609.31354	1.4
635.38190	0.7
651.32324	100.0
652.32666	17.3
695.35681	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	693.458
Annotation	Unknow
Peak:m/z	Relative Intensity
56.87638	0.4
59.01249	100.0
60.01583	0.8
61.98692	1.3
69.24689	5.7
71.01260	0.8
73.02811	0.5
85.94912	0.5
96.26437	0.5
98.14590	0.6
98.20535	0.9
153.99878	0.5
162.99544	0.5
176.03528	0.5
191.93236	0.6
229.55397	0.6
277.21713	14.0
278.22275	1.5
299.04453	0.5
311.05688	1.3
341.06912	0.8
693.33710	1.3
710.64288	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.3117
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	100.0
60.01597	0.5
61.98705	1.8
69.19572	4.5
72.34245	0.5
73.33495	0.4
77.12258	0.4
78.95776	10.0
80.96400	1.7
135.00826	0.5
205.15923	1.3
279.23203	1.4
285.12637	0.5
322.29514	0.5
385.17471	0.5
427.18671	0.5
447.13104	0.7
578.20074	0.4
663.76868	0.6
695.31018	38.1
696.31342	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	695.313
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	1.9
57.03327	1.0
58.00454	1.1
59.01251	39.3
61.98701	12.1
71.00859	1.2
71.01253	22.3
72.99176	3.3
73.02821	5.1
75.00750	0.9
78.95773	1.2
81.33788	0.8
83.01257	3.3
83.04894	0.7
85.02843	6.8
87.00753	3.1
88.98680	1.0
89.02313	11.6
89.28320	0.9
93.68938	0.8
95.01293	1.5
96.95904	1.1
99.00773	1.5
101.02319	11.8
104.79265	0.7
113.02329	6.4
115.00278	1.3
116.92775	1.2
119.03381	3.6
119.04943	0.9
123.39062	0.7
143.03375	1.1
150.06792	1.1
175.02406	1.2
179.05516	1.0
210.05646	0.7
211.36119	1.0
285.20776	2.3
357.09988	0.8
393.34360	0.8
429.24802	4.7
447.25919	9.5
471.25873	1.8
489.26999	6.9
490.27213	1.0
609.31567	1.4
646.45740	0.9
651.32300	100.0
652.32465	14.9
695.35962	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	693.4064
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	1.2
57.03321	0.7
58.00463	2.0
59.01251	35.5
67.01733	0.5
68.99705	0.6
69.03322	1.7
71.01251	32.8
72.01609	0.7
72.99174	3.0
73.02818	5.6
75.00752	0.6
81.03332	1.3
83.01273	3.6
85.02815	6.2
85.99965	0.5
87.00754	9.2
89.02319	29.1
95.01254	1.5
97.02821	6.4
99.00784	2.3
101.02322	26.1
102.02644	0.6
103.03893	0.6
109.02846	0.8
111.00762	0.7
111.04402	0.9
113.02333	15.4
115.03865	0.6
118.43208	0.5
119.03397	8.4
121.02839	0.5
123.00751	0.6
125.02334	12.6
131.03386	1.4
133.04945	1.2
137.02269	0.7
139.03853	0.8
141.01808	0.8
143.03404	5.4
149.04420	0.8
161.03227	0.6
161.04468	6.6
167.03413	1.2
169.04897	0.5
171.02849	0.6
179.05540	6.6
185.04514	0.6
197.11871	0.6
217.07071	1.1
221.06567	2.1
235.08179	13.4
236.08640	0.6
253.09192	3.0
263.07687	1.3
277.09296	1.0
277.21774	0.7
279.23279	0.7
287.07703	3.5
295.26401	100.0
296.26743	11.7
305.08810	4.3
323.09726	1.7
375.16357	0.5
379.12500	0.8
397.13467	88.0
398.13809	8.2
415.14551	33.6
416.14883	3.0
535.41333	0.5
591.46136	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.4581
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	100.0
60.01585	0.9
61.98714	0.4
65.51569	0.2
70.08425	0.5
70.08835	0.4
71.01257	0.3
80.96401	0.3
101.02251	0.3
110.45777	0.2
168.03896	0.2
177.58865	0.3
193.21869	0.2
197.11765	0.3
277.21713	9.0
278.22144	0.9
323.16196	0.2
373.21945	0.3
526.21667	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.3852
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53403	0.2
53.00010	0.2
53.74288	0.2
55.01747	0.2
59.01248	100.0
60.01319	0.3
60.01579	1.4
61.98694	0.4
69.44048	0.4
69.44455	1.2
71.01247	2.9
73.02824	0.7
77.76062	0.2
83.01267	0.4
85.02820	1.8
89.02299	0.3
98.19860	0.5
99.00743	0.2
101.02319	1.7
113.02344	0.9
135.97897	0.2
143.03406	0.4
157.48659	0.2
161.04443	1.4
171.10149	1.4
211.13333	1.5
256.90768	0.2
295.22745	0.5
325.25323	0.4
429.30200	1.1
447.22400	0.3
473.28842	0.3
573.34088	1.4
591.35339	3.1
592.36066	0.5
633.36414	4.8
634.36603	1.2
693.39020	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.3854
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01755	0.7
59.01249	100.0
60.01581	0.9
61.98702	2.9
71.01256	6.3
71.49863	0.3
72.99198	0.3
73.02825	2.5
75.00748	0.4
78.95794	1.6
82.63379	0.3
83.01264	1.0
85.02826	3.0
87.00716	0.3
89.02332	0.9
90.81904	0.3
95.01260	0.9
96.95886	0.8
97.02832	0.4
99.00747	0.6
101.02323	3.8
113.02317	3.0
119.03428	0.4
125.02335	0.4
143.03413	0.4
151.02562	0.9
152.99530	0.8
159.02861	0.4
161.04442	2.2
171.00507	0.4
171.10179	0.9
179.05524	0.4
183.13867	0.3
211.13359	1.0
313.07831	2.2
327.42316	0.3
397.27759	0.7
401.09332	0.5
429.30075	1.0
440.85980	0.3
473.29224	1.0
525.32483	0.4
573.34271	5.9
574.34741	0.9
591.35376	7.8
592.36420	0.8
633.36365	7.8
634.36780	1.6
649.35669	1.4
693.38831	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	693.3492
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03308	2.0
59.01251	100.0
60.01563	1.7
61.98701	34.4
65.12157	2.1
65.45345	2.0
71.01259	20.5
71.50077	2.4
72.99152	2.2
73.02827	4.8
75.00719	2.2
78.95786	3.5
79.28349	1.7
81.25980	1.7
83.01259	4.0
85.02813	12.8
87.00782	2.8
89.02318	8.3
101.02313	12.8
101.95267	1.6
104.73370	1.7
106.32387	1.9
113.02303	8.5
119.03377	4.1
119.04915	2.1
125.02317	2.2
134.35835	1.9
161.04453	4.2
163.07645	2.2
171.10156	6.2
175.02394	2.8
211.13303	4.7
229.14360	2.9
265.07590	2.1
267.09302	2.6
272.70242	1.8
294.36011	1.9
295.08401	2.0
327.21765	32.4
328.22089	2.8
354.91016	1.9
365.16351	1.8
415.28488	5.9
417.31754	2.0
445.29614	7.5
491.13638	1.9
495.36896	2.9
554.33521	2.0
561.36200	3.1
581.24109	2.6
589.33765	15.4
590.34320	2.7
607.34985	9.2
633.39874	10.7
649.35956	41.8
650.36279	8.1
651.40063	5.6
693.40381	13.3
694.39233	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	693.2775
Annotation	Unknow
Peak:m/z	Relative Intensity
56.52533	4.6
57.03308	7.6
59.01248	30.8
61.98698	19.5
68.99657	4.5
69.31232	18.0
69.31658	23.5
71.01246	21.8
73.02810	6.7
75.00751	6.2
78.95749	6.0
80.01263	5.8
80.82453	4.2
83.01262	5.9
83.79250	4.0
85.02813	11.9
85.55071	4.7
87.00759	7.1
89.02314	12.5
95.01258	7.2
96.04444	7.2
96.95901	17.0
99.00749	7.2
101.02315	11.2
101.94285	4.5
102.03540	4.6
108.00752	6.3
108.04430	27.0
108.08061	11.5
110.02344	10.4
113.02283	10.3
115.00253	12.4
119.04906	5.1
120.04420	8.6
122.05999	50.2
125.02366	6.3
133.02852	4.4
134.06003	33.6
136.03883	8.0
136.07535	7.2
138.05507	6.4
145.05188	12.2
146.05988	11.5
148.07532	8.6
149.02252	8.8
149.04738	10.1
150.05501	100.0
150.30753	4.9
158.05971	11.3
160.03935	14.7
160.07559	17.2
161.04626	10.2
162.05482	10.3
164.03377	6.3
164.10762	8.8
166.04895	4.6
172.07600	11.6
174.01749	4.7
174.05595	11.9
174.07594	4.5
174.09096	6.5
175.02409	8.9
176.07092	16.6
176.10738	81.0
178.04976	4.5
178.08708	7.6
179.05409	6.2
188.03375	5.5
188.07085	21.0
190.08580	8.3
191.11795	31.4
200.07098	19.5
201.06679	8.7
202.05034	8.0
202.08820	10.2
204.06525	7.0
215.04539	14.4
216.06778	24.6
217.09669	6.6
218.08176	24.7
221.08202	6.0
227.11839	6.5
229.06102	11.1
230.04546	60.9
230.06676	9.5
231.05197	4.9
231.07652	18.6
233.09193	10.4
234.07637	9.3
235.10905	5.4
239.11765	7.3
241.13351	7.7
243.03816	8.6
243.07800	13.0
244.06134	96.9
244.08455	7.3
245.06841	42.8
246.07695	75.5
253.05226	5.9
253.13591	6.4
255.07597	6.7
255.15099	8.4
257.05664	25.2
257.13031	5.7
258.06207	6.7
259.07227	70.1
260.07813	9.3
261.08786	91.7
262.09207	7.7
271.07114	11.9
271.10504	4.9
275.06741	6.6
279.09845	36.5
283.14554	7.3
285.03986	12.7
285.08807	7.5
286.09439	5.2
287.10291	10.4
288.05118	42.4
290.06668	10.8
297.08578	5.9
297.16003	9.6
304.06940	8.2
305.07758	32.9
309.15765	6.4
312.16956	6.6
313.08350	6.8
314.08942	6.9
315.09882	57.7
316.10403	6.8
322.33871	5.1
337.10437	13.3
337.15570	24.6
339.17133	30.3
352.16727	7.6
354.18149	14.0
355.16696	5.8
359.08752	14.5
370.17770	8.4
391.11206	6.7
418.17685	7.5
423.49802	4.6
447.09003	6.4
448.18564	9.2
557.24170	25.3
558.24213	5.9
599.25146	44.0
600.25262	11.0
601.23260	16.7
617.26227	83.9
618.26776	10.9
633.25610	6.3
643.23907	42.0
644.24304	9.7
661.25122	58.9
662.24945	16.6
675.26514	5.8
693.26569	14.1
693.35614	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	693.277
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47755	1.5
59.01268	2.4
63.69120	1.6
70.12706	1.4
70.98576	3.2
71.01233	1.9
82.02847	1.5
85.02827	2.2
89.02230	1.4
94.06471	1.7
96.95864	3.1
106.06513	2.5
108.04433	4.9
110.06055	1.7
120.04333	1.5
121.05162	2.7
122.05994	13.9
134.06032	17.9
135.06772	4.4
136.07570	7.7
138.05466	3.2
140.07074	26.1
146.05992	5.8
149.04674	8.8
150.05438	4.6
152.07066	3.8
160.03923	3.3
161.04692	7.2
162.05508	15.6
164.03490	8.4
164.04611	1.6
164.07069	13.9
166.05022	5.0
167.05852	3.2
169.36269	2.1
172.03955	3.5
174.05574	4.8
190.04976	3.5
191.44940	1.8
200.07123	1.6
204.06573	12.1
211.05099	2.3
211.08691	3.9
212.05862	13.9
212.09277	2.1
213.10213	1.8
224.09329	2.5
225.06654	8.3
225.10194	3.7
227.08246	2.6
227.11797	3.7
237.10277	14.6
238.07036	2.0
238.08885	2.2
238.10884	2.0
239.08189	15.5
239.11833	3.9
240.08995	7.9
241.09721	3.1
243.11281	6.7
244.36421	1.5
251.08139	5.7
251.11812	4.9
252.08803	4.3
252.10068	5.6
252.12413	11.2
253.06226	21.4
253.09798	21.7
253.13136	3.9
255.11301	10.2
261.12430	6.3
265.06189	4.4
266.06970	12.2
267.07715	24.1
267.11343	15.0
268.08594	13.3
268.11923	13.9
269.09122	3.1
269.12939	3.9
271.10934	4.1
273.12451	13.7
274.13019	1.9
277.09937	2.5
279.07788	8.4
279.11218	3.4
280.08542	28.0
281.09280	46.0
282.09741	5.0
283.10992	3.7
284.12634	2.4
285.08774	7.4
285.12283	3.8
294.10144	2.4
295.10861	100.0
296.11609	46.6
297.12372	22.7
298.12662	3.2
299.10413	9.4
300.11047	2.5
301.11859	10.8
303.13519	39.3
304.13831	3.3
311.10287	3.9
313.11874	7.2
321.14526	4.4
327.13489	26.2
328.10449	3.2
328.14050	3.7
339.09836	16.5
340.10394	7.5
341.11337	9.3
342.11615	1.9
371.12448	22.4
372.13052	6.3
373.14069	10.3
390.14520	6.1
404.16034	5.2
406.14053	3.0
407.14725	3.1
420.15561	5.9
434.13153	2.5
436.18735	2.4
448.14822	2.6
466.15366	3.4
479.17017	5.1
480.17709	2.2
511.19730	18.7
512.20276	4.6
557.15540	1.8
557.23822	3.7
599.25134	12.1
601.22986	19.8
602.23218	3.9
617.25720	4.8
633.25470	26.3
634.26001	6.1
643.24176	51.3
644.24030	12.3
661.25159	32.4
662.25476	7.6
675.26660	94.2
676.26953	26.5
693.27789	30.2
694.27563	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	693.2775
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84967	0.8
55.57779	0.9
56.27993	0.8
60.36141	0.8
61.04832	0.9
69.41308	2.0
69.41711	4.9
72.97880	0.8
84.72147	0.9
96.95895	1.1
98.19823	1.9
98.20445	1.5
107.51053	0.8
108.04404	1.6
110.05984	1.0
122.05988	6.4
134.05998	8.7
135.06735	0.9
136.03958	0.9
136.07582	2.0
138.05400	1.1
140.07048	6.9
144.04451	1.7
146.06026	1.5
149.04724	2.9
150.03122	1.0
150.05498	1.9
151.03935	1.2
152.07007	1.1
160.03915	2.7
161.04726	6.4
162.05553	4.1
164.03416	1.1
164.07083	3.7
166.05080	2.2
167.05771	1.4
172.03993	2.2
174.05542	3.3
175.02423	1.0
175.06223	0.9
190.04971	2.2
204.06584	7.2
211.05016	1.9
211.08733	1.8
212.05875	12.0
212.09364	0.9
213.10201	1.7
215.11848	1.2
225.06607	3.1
225.10306	2.7
226.07246	1.0
227.08229	1.4
227.11859	2.0
228.12575	1.2
229.09657	0.9
229.13354	1.1
237.06558	1.0
237.10312	10.2
238.07214	1.3
238.10812	1.0
239.08192	11.9
239.11824	1.3
240.08775	4.0
241.04868	1.0
241.09593	3.1
243.11403	2.8
244.11584	1.0
251.08279	2.9
251.11884	3.1
252.08803	1.5
252.10367	1.4
252.12610	8.1
253.06145	13.7
253.09779	11.8
253.13243	2.3
254.06718	1.4
254.10321	1.9
255.11316	7.9
261.12589	1.2
265.06207	1.6
266.07074	4.6
267.07724	19.8
267.11313	7.5
268.08627	8.7
268.12042	9.2
269.09351	1.4
269.12857	1.6
270.10233	1.4
271.10635	1.6
273.12558	4.5
279.07733	4.4
279.11142	1.4
280.08514	12.0
281.09271	28.5
282.09711	3.5
283.07217	1.5
283.10724	1.9
285.08798	6.9
285.12003	1.5
293.09030	1.2
295.07465	1.7
295.10852	33.9
296.11627	27.2
297.09027	2.2
297.12311	11.9
298.09442	1.4
298.12656	1.4
299.10294	8.4
300.10980	4.0
301.12018	4.8
303.13431	7.6
304.14120	0.9
306.08411	1.2
313.11871	4.9
325.12048	1.0
327.13480	8.1
328.13974	1.9
329.15125	1.0
339.09921	6.9
340.10599	5.7
341.11310	5.3
351.12106	1.3
357.10602	0.9
362.14645	1.2
371.12326	6.7
372.13135	5.4
373.14026	13.7
381.13766	2.2
390.14465	5.8
394.17752	1.3
404.16061	2.1
406.14130	2.5
407.14716	2.7
420.15604	3.6
424.15094	1.1
432.16333	1.3
434.13620	2.9
435.18069	1.9
438.16696	2.7
448.15146	1.3
452.18106	1.5
466.16208	4.1
479.17105	1.8
480.17322	1.9
511.19583	22.4
512.20081	7.4
599.24579	1.4
601.23016	1.7
618.12738	1.1
633.25635	27.8
633.36182	1.4
634.25928	5.5
637.37946	1.0
643.23987	9.4
644.24493	2.4
647.27539	1.8
657.25598	2.1
661.25037	2.0
675.26685	100.0
676.26941	23.4
693.27808	28.9
694.28473	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.442
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	100.0
60.01600	0.8
61.98692	1.4
68.71243	0.4
71.01241	0.5
71.50672	0.6
78.53102	0.4
109.06441	0.5
197.52133	0.4
212.74359	0.4
213.76672	0.5
250.43785	0.4
277.21695	17.6
278.21915	2.2
403.17938	0.4
466.04581	0.4
626.08405	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.476
Annotation	Unknow
Peak:m/z	Relative Intensity
64.93594	1.0
70.91487	2.2
81.03319	7.8
83.04900	23.9
84.05204	0.9
98.02356	25.9
125.07159	1.8
181.80527	1.1
207.14946	1.7
223.10855	1.3
224.17603	4.3
225.16061	12.0
226.16295	1.0
247.49536	1.0
249.91533	1.2
256.74442	0.9
266.18640	1.5
310.93820	0.9
338.24518	1.5
352.22485	1.4
383.30505	1.4
451.32913	9.2
457.89148	1.2
465.31244	1.8
564.41760	1.2
578.39325	5.1
595.41742	2.0
673.46576	11.2
691.47632	100.0
692.47821	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	693.2775
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01241	5.6
61.98698	2.3
71.01244	3.7
71.50951	2.2
85.02833	1.5
87.00748	1.3
89.02326	1.7
94.06502	1.5
96.95893	6.6
98.62233	1.3
98.95435	2.1
99.92461	3.6
101.02318	3.1
115.17854	1.3
116.92741	41.6
117.92736	2.2
122.06009	12.2
123.17522	1.2
131.45760	1.4
134.06026	9.4
136.07571	3.1
140.07037	8.2
150.05481	2.2
152.07100	7.8
160.03915	2.0
161.04680	7.4
162.05481	5.1
164.03386	1.6
164.07069	4.2
167.05769	1.3
172.03999	2.1
174.05460	1.9
175.02434	1.5
175.06245	1.4
190.04990	1.9
204.06610	8.4
211.08582	2.0
212.05780	10.1
225.06723	2.3
227.11778	2.1
231.15981	9.3
237.10315	9.1
239.08255	6.6
240.08862	4.0
241.09718	1.9
243.11287	3.8
251.08209	1.8
252.10365	1.8
252.12607	7.1
253.05836	5.5
253.09723	10.8
253.13153	1.5
254.10397	3.1
255.11235	7.3
257.09265	1.7
265.02734	1.6
266.06863	2.0
267.07718	13.5
267.11325	5.5
268.08582	6.9
268.12051	8.1
271.10672	1.7
273.12369	4.7
279.07709	3.6
279.11154	2.3
280.08447	9.8
281.09308	20.9
282.09680	1.8
283.10858	1.6
285.03989	2.8
285.08853	4.7
285.12271	2.4
295.05942	1.6
295.10873	25.5
296.11594	25.4
297.12292	10.5
298.09515	2.1
299.05536	1.6
299.10327	6.7
300.10965	3.4
301.11874	3.7
303.13422	9.9
306.08679	2.0
313.11902	5.5
327.05219	2.8
327.13449	6.5
328.14291	1.5
339.09912	4.1
340.10483	4.0
341.11304	5.3
342.12000	2.0
343.13019	1.5
371.12274	4.7
372.12949	3.6
373.13867	7.6
389.17740	1.9
390.14493	4.0
404.16043	2.4
406.14136	2.5
407.14505	1.8
411.07169	2.2
415.10471	4.3
419.18472	5.2
420.15363	1.5
429.08206	1.9
434.12616	1.7
434.17691	1.6
435.18271	2.3
438.16376	2.2
463.17538	1.5
466.16010	4.2
479.16611	2.9
480.17715	2.3
511.19595	10.4
512.20026	2.4
531.27814	3.0
599.24811	1.9
619.24023	17.1
620.24115	2.6
633.25500	20.9
634.26184	3.4
643.23828	10.5
644.24182	1.7
661.24823	5.0
675.26630	100.0
676.26917	24.4
693.27716	58.5
694.27942	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	691.3543
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01758	0.4
57.03314	0.7
58.00468	0.6
59.01250	21.5
69.03320	0.9
69.93975	1.0
69.94390	0.5
71.01251	12.8
72.99177	1.1
73.02814	2.3
81.03341	0.4
83.01259	1.1
85.02827	2.8
86.03202	0.3
87.00745	2.9
89.02314	10.9
90.02637	0.4
95.01276	1.0
95.04895	0.3
96.95908	0.4
97.02834	1.9
98.20534	0.3
99.00751	1.0
101.02318	9.6
104.72006	0.3
109.06446	0.6
111.00622	0.3
111.04377	0.6
111.08051	0.4
113.02335	4.4
119.03374	3.5
125.02325	3.3
131.03368	0.4
133.04948	0.3
143.03395	1.7
161.04480	2.3
163.04999	0.3
167.10692	0.3
167.28300	0.3
177.12794	0.4
179.05518	3.2
179.14328	0.6
195.13828	7.6
196.14378	0.9
203.12468	0.3
205.12192	0.9
205.15849	0.4
207.10158	0.7
209.11763	0.4
211.13289	1.0
221.06670	0.7
223.13342	5.9
224.13792	0.3
228.13710	0.4
235.08153	2.9
253.09210	1.3
256.13135	1.1
263.07745	0.3
265.21631	0.4
275.20148	4.0
276.20621	0.3
287.07855	0.7
291.19595	0.4
293.21207	100.0
294.21515	9.4
305.08746	1.0
323.09906	0.7
397.13467	22.5
398.13641	2.2
415.14548	25.8
416.14819	2.0
691.38477	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.3543
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01743	0.6
57.03312	0.5
58.00466	0.7
59.01250	26.6
61.98689	1.7
65.26502	0.4
69.03319	1.0
71.01250	13.3
71.50034	0.6
72.99182	1.8
73.02824	2.4
73.04745	0.3
74.72411	0.3
75.00780	0.5
78.95778	0.4
81.03329	0.4
83.01256	1.7
83.04922	0.7
85.02820	2.7
87.00745	2.5
89.02315	11.7
95.01254	0.9
96.95873	1.2
97.02805	1.7
99.00754	0.9
99.04368	0.4
101.02322	11.3
113.02332	5.7
115.03891	0.4
119.03378	3.5
120.25517	0.4
125.02325	3.5
128.74954	0.4
131.03325	0.6
139.03903	0.4
143.03419	2.0
149.04477	0.6
161.04495	2.5
167.10667	0.7
171.10168	0.7
179.05490	2.7
179.14363	0.8
183.13844	0.4
195.13831	7.8
196.14378	0.6
205.12222	1.1
207.10165	0.5
209.11766	0.8
211.13306	1.1
219.13896	0.4
221.06660	0.8
223.13350	6.4
224.13750	0.5
231.21115	0.6
235.08195	3.3
249.10999	0.4
253.09302	1.3
256.13168	1.0
265.21548	0.5
275.20178	4.2
287.07587	0.7
293.21210	100.0
294.21564	8.9
305.08762	1.1
323.09805	0.5
327.21085	0.4
397.13474	22.2
398.13687	2.0
415.14536	26.5
416.14841	2.3
487.34232	1.1
631.38226	0.6
654.27985	0.5
691.37738	1.7
692.38025	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.262
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	3.7
61.98708	0.8
63.28205	0.3
67.64685	0.4
71.01250	1.2
71.50743	0.6
73.02821	0.5
74.95432	0.4
78.95724	0.4
79.95622	0.4
81.02763	0.4
83.01263	0.6
83.04891	0.8
85.02819	0.6
89.02327	0.6
94.02861	2.2
96.95890	5.3
98.02354	0.7
105.21828	0.4
107.03665	0.5
108.04411	2.1
113.02316	1.0
114.76012	0.4
116.92791	0.6
120.04443	1.1
122.06004	9.5
124.03954	1.4
125.02369	0.6
125.48656	0.4
132.04460	0.9
133.03949	0.6
134.05977	1.9
135.06815	0.7
136.03958	3.5
136.07584	9.3
137.04701	0.9
137.07970	0.5
138.05544	1.9
146.05978	0.6
148.03941	0.8
150.05510	9.0
150.06631	0.8
152.07030	3.0
159.11636	0.4
161.04520	0.5
162.05464	0.5
163.08730	0.6
174.09169	1.2
176.03410	0.5
177.03168	0.4
179.05464	0.7
186.09180	2.5
188.10846	0.4
190.05005	0.8
200.05843	0.4
201.06438	2.3
201.08209	0.5
202.07155	2.3
202.08954	0.7
202.12314	2.0
212.10760	1.5
213.06564	0.7
214.07283	0.9
215.08167	3.2
216.57913	0.4
217.09933	0.4
228.10385	2.2
228.12299	0.4
229.09782	13.7
230.09782	0.6
230.11992	7.9
231.11758	0.9
239.08202	0.7
240.09009	0.8
244.08510	0.9
245.09297	3.9
245.12897	0.9
246.11394	0.5
255.11354	4.5
257.09296	6.3
258.09933	1.5
259.08160	0.4
259.10782	0.7
273.12445	21.8
274.12830	1.1
275.10406	1.8
290.12823	0.4
315.62836	0.5
317.11420	15.7
318.11807	1.4
330.90616	0.4
334.11765	1.1
335.12479	100.0
336.12814	8.1
355.13190	1.8
599.21539	0.4
631.23627	0.6
641.22565	1.1
659.23108	0.9
684.15143	0.5
691.25684	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.312
Annotation	Unknow
Peak:m/z	Relative Intensity
53.38019	1.5
59.01250	4.1
60.17636	1.4
61.98692	2.6
66.79350	1.2
69.27663	1.4
74.61700	1.2
77.03830	2.0
78.95757	1.7
96.95860	1.7
97.72963	1.4
117.03354	10.9
121.02786	2.2
161.02354	6.9
163.00273	2.3
163.03845	2.1
166.01802	1.5
183.04262	1.7
183.59737	1.6
211.07475	1.7
212.95612	1.4
245.74940	1.7
260.40253	1.7
268.03711	4.7
269.04443	11.4
277.21683	1.8
281.04477	13.5
282.05267	10.1
283.06116	46.2
284.06500	3.5
295.06177	6.8
308.02975	1.7
311.05600	100.0
312.05804	7.5
323.05618	13.9
341.06659	34.4
342.06897	3.4
395.07669	4.1
413.08978	9.3
530.90930	1.5
673.30505	3.1
691.31189	43.2
692.31079	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	690.3146
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02843	0.7
59.01218	1.0
69.60683	5.2
72.00788	1.6
74.02357	1.6
98.20623	1.3
108.03175	2.9
109.03963	100.0
110.04316	2.6
114.51983	0.7
116.07062	6.3
118.06509	1.4
119.02399	3.2
135.01892	3.3
136.62685	0.8
148.07578	1.3
153.53641	0.7
154.72937	0.7
159.08057	1.1
185.11671	0.9
187.07631	1.6
188.07091	8.3
192.92580	0.7
211.13324	3.3
213.09131	2.0
221.07256	0.8
222.55959	0.9
229.14381	3.0
230.11824	2.8
239.08250	5.9
240.08499	1.2
256.10834	3.6
274.10767	4.3
280.10681	1.9
298.12003	11.8
382.25055	0.8
384.15491	2.1
391.18866	3.7
573.23590	6.4
587.83978	0.8
690.31445	62.1
691.31799	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	690.2057
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01241	1.5
61.10567	0.6
61.60509	0.6
61.98700	10.5
69.73033	3.9
73.02808	1.4
78.95768	1.2
85.72808	0.6
88.98669	0.7
91.94872	0.6
103.74490	0.6
115.18677	0.6
117.30571	0.5
129.11067	0.7
152.99516	0.7
312.13043	0.7
439.13297	0.9
452.14810	2.3
479.17426	1.0
481.15063	4.4
482.15933	1.4
493.15192	1.6
495.16660	12.3
496.17087	3.2
498.16757	1.4
507.16309	0.9
508.17911	1.2
509.18088	0.9
523.19928	0.9
526.15277	0.9
535.16357	1.8
536.17047	2.9
540.16260	2.1
541.16559	1.2
551.19379	32.4
552.19629	10.5
553.18799	1.6
554.19690	4.5
555.19165	1.8
572.15344	2.8
586.17145	2.1
595.18683	4.0
596.18066	1.0
627.20941	100.0
628.21216	31.9
629.21021	2.6
630.21173	13.8
630.30646	0.5
631.21521	1.0
690.23444	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.3385
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01753	1.0
57.03308	1.1
58.00451	1.2
59.01253	27.2
61.98691	3.0
69.03313	2.1
69.27132	1.8
69.27543	5.5
71.01254	25.2
72.99167	2.3
73.02806	3.1
75.00736	0.7
76.78083	0.7
83.01254	2.7
85.02814	5.2
87.00743	4.4
89.02316	21.1
91.03821	0.7
95.01246	1.7
95.04877	0.9
96.95859	0.9
97.02813	3.1
97.06451	0.8
98.20593	1.4
99.00777	0.8
99.04364	0.8
99.08028	1.0
101.02319	17.2
111.08041	4.1
113.02317	9.0
119.03384	6.8
125.02342	5.1
125.09561	1.5
137.09598	0.9
143.03424	3.8
161.04468	4.8
167.10620	1.0
171.10130	1.4
179.05498	4.4
185.11685	1.7
187.36246	0.8
195.13808	2.5
208.51106	0.8
209.11781	3.0
211.13335	3.0
217.44556	0.8
221.06638	1.8
227.12820	1.2
233.15233	0.7
235.08214	6.4
247.20628	1.3
253.09322	1.8
263.07581	0.8
263.20129	4.6
273.18591	6.8
274.18903	0.8
287.07663	1.1
290.68250	0.7
291.19650	100.0
292.20001	9.5
305.08734	1.8
323.09946	1.3
392.73788	0.7
397.13461	52.8
398.13779	5.5
415.14557	29.8
416.14810	2.4
689.33643	14.5
689.43213	0.9
690.33459	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.3386
Annotation	Unknow
Peak:m/z	Relative Intensity
56.55330	0.7
57.03317	2.0
58.00467	1.4
58.43428	0.7
59.01248	30.8
60.01565	0.6
61.98688	2.9
69.03302	1.5
69.94004	0.7
70.03687	2.7
71.01248	23.5
72.99159	2.2
73.02817	4.5
78.95764	0.8
81.03301	1.1
83.01240	1.8
83.04874	1.2
85.02816	4.6
87.00753	4.2
89.02307	16.0
95.01231	1.3
97.02810	3.2
99.00736	0.9
101.02320	16.7
111.08025	5.5
113.02330	7.9
119.03344	5.0
125.02316	4.8
125.09595	1.2
127.03831	1.3
143.03354	2.6
149.04350	1.0
161.04428	2.9
167.10658	1.2
171.10184	1.4
177.12744	1.0
179.05577	3.8
179.10664	1.0
181.12173	0.7
185.11569	0.8
195.13806	3.8
199.06129	0.7
209.11784	3.6
211.13293	3.7
217.95851	0.7
221.06577	1.1
227.12617	0.7
235.08195	5.6
236.08948	0.7
247.20575	2.7
253.09230	2.7
263.20193	3.3
273.18692	4.4
274.18774	0.9
287.07773	1.3
291.19650	100.0
292.19928	10.1
305.08667	1.2
397.13480	46.3
398.13992	4.5
415.14548	26.2
416.15018	2.5
629.37939	1.4
689.33270	8.7
690.33600	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	689.3384
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96533	0.5
55.01749	0.9
57.03321	1.0
58.00455	0.6
59.01249	27.2
61.98691	2.4
63.84528	0.5
69.03324	1.7
70.06868	1.1
70.07247	1.3
71.01254	21.4
72.99177	1.1
73.02813	4.2
75.00745	0.9
75.09476	0.5
77.14854	0.5
78.95801	0.7
80.96392	0.6
81.03339	0.8
83.01251	1.7
83.04897	1.1
85.02827	5.3
87.00754	4.1
89.02318	16.3
92.12234	0.5
95.01257	1.6
95.04902	1.1
96.95876	1.2
97.02817	3.2
97.06458	1.3
99.00750	1.3
99.08028	1.0
101.02323	15.9
111.08030	5.3
113.02324	8.1
116.92709	0.7
119.03400	4.9
123.08015	0.7
125.02354	6.2
125.09614	1.0
126.85017	0.5
139.03906	0.8
143.03406	3.2
149.04456	0.9
161.04497	3.8
167.03410	0.9
167.10693	1.4
171.10165	1.3
175.02449	0.7
177.12775	1.3
179.05522	3.3
179.10751	1.3
185.04393	0.7
195.13857	4.6
197.11761	1.0
207.10046	0.7
209.11794	1.1
211.13344	1.4
221.06612	1.3
227.12721	0.8
235.08185	5.6
247.20633	2.5
247.22855	0.6
249.11105	0.9
249.51654	0.5
253.09375	2.0
263.07727	0.8
263.20123	2.7
273.18683	3.6
287.07761	1.2
291.19656	100.0
292.19965	10.6
305.08804	1.5
323.09763	0.7
359.45538	0.5
397.13486	45.7
398.13754	3.8
415.14581	23.8
416.15027	2.0
547.32819	0.8
657.22577	0.8
689.33521	7.6
690.33411	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	689.3386
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01748	0.3
57.03318	0.8
58.00462	0.9
58.48333	0.2
59.01250	18.2
61.98689	1.2
69.03320	0.7
69.41080	2.3
71.01253	17.0
72.01561	0.3
72.99181	1.6
73.02815	2.7
73.31232	0.2
75.00740	0.6
81.00247	0.3
81.03313	0.9
83.01254	1.8
83.04902	0.4
85.02831	4.0
87.00756	3.5
89.02318	14.1
91.03928	0.4
95.01261	1.0
96.95879	0.7
97.02830	3.1
97.06453	0.4
99.00771	1.3
101.02322	12.8
111.04408	0.6
112.26108	0.3
113.02332	6.1
115.03942	0.5
119.03386	4.9
125.02341	4.9
127.03908	0.3
129.01830	0.3
131.03441	0.8
133.04985	0.3
134.06055	0.4
139.03906	0.3
141.01869	0.5
143.03398	2.4
148.07648	0.7
148.08827	1.0
149.04491	0.6
149.09702	0.4
150.10382	0.8
151.11174	0.5
161.04460	3.6
163.11194	0.6
165.12762	16.6
166.13036	0.8
167.03291	0.6
171.10158	0.5
175.02469	0.3
175.11227	0.4
176.11977	0.5
177.12762	0.6
179.05519	3.2
183.13820	1.4
185.04398	0.4
185.11729	0.3
191.14354	0.6
193.08154	0.3
197.11989	0.3
199.06020	0.3
199.13237	0.4
207.10202	0.6
209.11784	0.8
211.13344	0.5
217.07225	0.4
217.09586	0.3
217.15877	0.4
221.06615	1.2
225.11276	1.0
227.12842	0.6
235.08182	6.0
247.20633	9.6
248.21002	0.9
253.09305	2.1
263.07690	0.6
273.15921	0.5
273.18622	4.9
274.19052	0.3
277.09372	0.6
287.07767	1.8
291.19650	100.0
292.19980	9.7
295.31982	0.3
305.08749	1.6
307.19150	0.5
311.10120	0.4
323.09830	0.7
325.20334	0.3
331.09567	0.3
379.12131	0.3
397.13477	38.0
398.13992	2.2
415.14548	24.6
416.14893	2.1
577.07727	0.3
671.32904	0.6
689.33966	2.1
690.34064	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.3959
Annotation	CHEBI:69613
Peak:m/z	Relative Intensity
52.33481	0.6
55.01723	0.6
55.90200	0.7
57.00801	0.5
59.00964	1.1
59.01249	18.1
61.46323	0.5
61.98690	3.1
71.01247	17.0
71.04858	0.5
71.50916	1.0
72.99168	1.4
73.02806	2.9
74.76158	0.5
75.00726	0.9
83.01247	1.3
85.02803	3.1
87.00726	2.7
88.98680	0.7
89.02316	68.4
90.02622	0.8
95.01276	1.1
96.95878	0.9
97.06497	0.6
99.00778	1.2
99.04398	0.9
101.02320	6.1
102.22128	0.5
113.02331	5.8
113.05988	0.5
119.03380	2.8
131.03413	0.9
136.05136	1.2
137.05945	0.5
139.07538	0.6
143.03403	1.0
143.04518	0.6
149.06000	2.1
150.06764	25.9
151.07324	2.0
161.04478	1.4
161.09581	0.7
162.06770	1.4
162.99550	0.5
163.07550	7.4
164.08301	4.2
165.08984	1.2
166.28360	0.6
171.10191	0.8
172.97368	0.6
175.02295	1.0
175.48718	0.5
176.08260	0.7
177.09074	1.4
178.09926	1.5
179.05649	1.0
179.10713	10.6
180.10933	1.0
183.21523	0.5
209.11566	0.6
225.11314	0.8
231.82350	0.5
247.36862	0.6
283.46133	0.7
343.24792	0.7
359.24295	0.9
387.21674	0.6
420.28909	2.7
421.29037	0.8
434.30331	4.4
435.31076	10.1
436.31522	1.5
462.33542	0.7
464.31439	0.7
478.33099	1.1
479.33801	4.0
480.33972	1.0
484.07935	0.6
495.33145	0.7
524.33441	2.3
525.34210	8.2
526.34491	1.0
627.34607	2.0
645.35114	2.4
687.39545	100.0
688.39948	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	687.3959
Annotation	CHEBI:69613
Peak:m/z	Relative Intensity
51.06527	0.4
54.60298	0.5
59.01255	8.9
61.98703	5.2
69.03329	0.6
70.06065	2.1
71.01258	11.1
72.99155	0.6
73.02814	2.0
75.00748	0.8
78.95786	0.6
83.01262	1.0
83.04884	0.6
85.02832	2.8
87.00752	3.3
87.04379	1.4
88.98719	0.5
89.02319	69.4
90.02672	0.9
95.01273	0.7
96.95895	0.6
99.00745	0.9
99.04418	1.0
101.02316	3.2
113.02322	2.0
114.70972	0.5
115.00255	0.7
119.03380	0.8
123.04319	0.5
126.28984	0.5
135.08064	0.7
136.05151	0.7
137.05965	1.0
149.05983	1.4
150.06775	18.4
151.07430	1.1
162.06783	1.3
163.07590	4.7
164.08292	1.6
167.07034	0.9
171.10205	1.2
175.02409	1.1
176.08394	0.6
177.09125	1.1
177.82919	0.5
178.09854	1.3
179.10703	6.0
191.07245	0.5
197.11797	0.9
199.77602	0.6
207.10184	0.7
209.11742	1.7
217.26358	0.5
225.11162	1.2
230.18158	0.5
235.01964	0.5
329.23413	0.8
360.42532	0.5
373.26178	1.2
376.26334	2.8
390.27499	2.7
391.28522	14.2
392.28815	1.8
402.27576	0.8
416.29202	1.0
417.30042	3.4
418.30182	0.8
434.30365	0.8
455.25525	0.5
461.32547	0.7
462.32748	0.6
471.02734	0.5
507.33096	1.2
508.32535	0.6
517.22339	0.6
524.33466	1.6
525.34393	5.0
526.35004	0.7
569.30042	0.6
583.34900	0.5
627.37219	1.2
660.04419	0.6
669.38788	1.5
687.39679	100.0
688.40094	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	687.3961
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	1.8
59.00960	1.2
59.01251	21.4
61.98698	5.6
65.25655	0.8
71.01256	17.3
71.49754	1.1
71.50095	0.9
72.99156	1.8
73.02819	4.8
76.84358	0.9
78.95776	1.0
83.04911	1.4
85.02818	4.6
87.00761	4.4
89.02318	54.7
95.01303	1.5
96.95882	1.4
99.04396	1.3
101.02306	7.6
105.36391	0.8
111.64872	0.8
113.02351	5.5
119.03397	3.8
121.02837	1.2
125.02307	1.3
128.03542	1.0
135.08060	1.7
136.05215	1.6
137.06000	0.9
139.07565	1.0
143.03378	0.9
149.05965	3.2
150.06770	29.7
151.07430	3.9
161.04486	2.2
162.06737	3.7
163.07558	9.6
164.08353	3.9
165.05489	1.4
167.03400	1.3
175.02383	1.4
176.08289	1.0
177.09142	2.8
177.66479	0.8
178.09885	0.8
179.05516	2.2
179.10707	16.4
180.10977	1.2
193.08673	1.2
225.05821	1.5
241.04974	1.4
271.09811	1.8
357.15521	1.1
406.27258	1.6
420.28845	3.0
421.29840	3.8
434.30200	3.1
435.26990	0.7
435.31271	7.5
436.31879	1.0
450.30228	0.9
451.30487	2.6
462.33722	1.8
479.33499	1.6
489.32040	2.7
507.33307	5.7
508.33438	1.3
524.33453	2.2
525.34344	7.9
627.36298	1.0
643.36755	1.5
669.38953	2.0
687.39606	100.0
688.40015	24.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.3042
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	1.7
61.98695	8.4
62.21909	1.3
63.96087	1.8
69.03353	1.5
69.57726	2.9
69.58131	8.0
71.01256	9.5
73.02807	2.5
78.98451	7.3
79.95602	13.6
80.96385	81.4
81.03321	1.7
83.77370	1.3
85.02818	3.8
85.07098	1.2
87.00736	2.9
89.73380	1.4
94.97955	17.0
96.61322	1.2
96.95912	1.3
97.02843	1.8
101.02330	2.9
106.97985	3.1
122.97477	3.9
125.02279	3.9
134.97502	6.5
148.99062	7.9
152.98518	7.0
164.98520	13.1
206.99594	4.1
225.00662	16.5
267.34854	1.4
687.30469	100.0
688.30640	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	687.3968
Annotation	CHEBI:69613
Peak:m/z	Relative Intensity
54.99434	0.5
55.01741	0.7
55.57977	0.5
57.03311	1.5
59.01003	0.6
59.01250	8.0
61.98689	3.6
65.90627	0.6
69.42867	4.1
71.01250	5.8
71.04885	0.9
72.99205	1.1
73.02825	3.2
75.00732	0.5
75.95746	0.5
78.95767	1.1
81.03343	0.6
82.58226	0.6
83.01285	0.9
85.02820	2.7
87.00756	1.3
87.42158	0.5
88.28376	0.5
89.02313	4.3
93.03289	0.5
95.29575	0.5
96.95836	0.6
99.04401	2.6
101.02334	3.9
105.38608	0.5
108.02080	0.7
109.06448	0.6
111.04364	0.5
113.02332	2.6
119.03392	1.5
119.04934	1.0
120.99540	0.9
121.06478	0.7
123.04444	1.2
123.08050	1.3
125.02355	1.1
135.04396	0.9
135.08081	1.1
136.05179	1.6
137.05986	0.9
148.13586	0.6
149.05975	4.2
150.06776	42.5
151.03975	0.6
151.07233	1.9
161.04529	0.6
161.09639	1.5
162.06737	1.7
163.03981	0.6
163.07573	9.9
164.08348	7.2
171.10112	0.7
176.08322	0.7
177.09070	2.5
178.09889	2.0
179.05585	1.0
179.10712	19.8
180.11009	0.7
211.13295	0.8
241.05011	3.9
241.09425	0.5
256.07404	4.0
271.09735	6.3
272.09866	0.7
319.11871	0.7
321.20361	0.6
327.21793	1.0
343.24854	1.2
345.22830	3.6
407.27820	1.2
436.51218	0.6
446.30096	0.9
461.33060	1.3
464.31329	5.0
467.30228	0.9
475.41638	0.6
478.33127	1.5
479.33856	7.7
480.34158	1.0
489.32370	0.9
506.32050	2.8
507.33289	6.5
508.33490	1.2
524.33630	3.6
525.34363	21.4
526.34961	3.0
643.37537	0.8
644.31348	1.0
669.38257	1.2
687.39594	100.0
688.40002	18.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84261	1.0
59.01244	5.9
61.98435	0.7
61.98704	9.2
71.01253	11.4
71.50725	1.4
72.42638	0.8
72.99161	1.3
73.02811	2.2
78.98466	5.5
79.95609	10.1
80.96391	50.6
85.02805	3.1
87.00755	6.5
89.02328	1.7
94.97959	13.1
96.95882	1.9
97.02810	1.8
99.00742	1.7
101.02350	4.0
106.97953	3.0
111.00739	1.0
113.02286	1.3
115.00266	8.0
122.97441	3.3
125.02310	3.2
134.05984	1.7
134.97476	4.2
135.04367	1.3
136.99011	0.8
139.00160	1.2
146.15945	0.9
148.99060	5.2
152.98563	5.0
161.04501	1.1
164.98540	10.8
175.02406	7.3
182.99646	1.7
206.99576	2.2
213.35735	0.8
225.00700	25.4
226.01012	1.0
243.01727	1.3
280.89172	0.9
283.10757	0.9
299.04541	3.7
483.19016	1.5
511.18561	21.4
512.18689	3.4
546.05988	1.0
583.20593	1.0
597.21484	1.0
625.21368	4.9
627.19470	2.8
669.20691	6.9
670.20837	1.2
686.25647	1.0
687.21692	100.0
688.21954	16.9
711.83777	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.339
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01234	0.5
61.98698	100.0
68.50063	0.2
70.06596	1.0
78.29308	0.2
83.75816	0.2
90.80408	0.2
113.45156	0.2
117.17235	0.2
152.99522	0.3
164.28214	0.3
198.11923	0.2
299.74249	0.2
312.51547	0.2
340.43887	0.2
368.96313	0.2
429.49973	0.3
543.84320	0.2
611.22833	1.0
626.36035	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.3392
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	0.5
61.98701	100.0
71.01219	0.3
71.50051	0.3
78.95804	0.4
80.13936	0.3
95.11977	0.2
96.95911	0.3
97.89632	0.3
129.81094	0.3
158.18509	0.3
167.55217	0.3
200.77467	0.3
626.35693	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
53.71348	0.7
57.03328	0.9
59.01244	5.7
60.60179	0.7
61.98700	8.9
62.24840	0.6
63.96088	1.2
71.00916	1.0
71.01249	11.1
71.50756	1.3
72.99158	1.0
73.02773	0.9
75.00718	1.3
75.39439	0.6
78.98460	5.9
79.95605	13.8
80.96387	53.1
81.03320	0.7
83.01211	1.6
85.02822	4.1
87.00761	7.6
89.02285	2.8
94.97955	12.1
96.95848	2.4
97.02802	1.6
99.00753	1.2
100.56609	0.7
101.02341	4.5
103.64330	0.7
104.82233	0.7
106.97927	2.7
109.02809	1.1
113.02282	2.3
115.00237	7.0
119.03371	1.0
122.97437	3.1
125.02274	2.7
127.03888	0.8
134.05931	1.8
134.97406	3.2
136.98999	0.9
139.00204	1.2
148.99037	5.1
152.98573	4.8
157.01237	0.8
161.04384	1.1
164.97343	0.7
164.98553	11.1
175.02385	6.7
206.99594	2.2
211.13281	0.9
224.70520	0.7
225.00691	21.1
234.64763	0.6
235.20512	0.8
239.11789	1.2
278.08301	0.7
283.10684	1.7
284.11008	1.8
296.10672	0.8
299.04379	3.9
409.38065	0.7
429.86526	0.7
435.74133	0.7
483.19049	1.1
511.18536	20.9
512.18530	2.7
541.18903	1.0
607.20392	1.2
625.21796	6.8
627.21191	2.3
655.22565	1.9
666.97253	0.8
669.20483	8.7
670.21149	1.0
686.24884	2.2
687.21582	100.0
688.21942	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	686.2562
Annotation	Unknow
Peak:m/z	Relative Intensity
56.08820	0.8
58.37510	0.9
59.01249	16.6
61.98700	22.3
64.87968	0.9
71.01251	12.7
71.50166	1.2
72.99173	1.0
73.02818	2.7
78.95782	0.9
78.98436	1.2
79.95592	6.2
80.96393	12.6
85.02822	3.7
87.00726	2.7
89.02311	7.8
93.99982	1.0
94.97951	3.0
96.95885	1.1
101.02309	6.0
106.06474	2.0
109.28214	1.0
113.02330	3.6
115.00251	3.2
119.03366	2.9
120.92740	0.9
122.06004	3.6
132.04439	1.6
134.06012	11.4
135.04391	2.6
136.04851	0.9
136.99074	1.4
137.02422	1.0
148.99077	2.0
150.05444	1.2
152.07089	1.3
152.98538	1.7
153.25980	0.9
164.98532	2.6
175.02408	6.0
179.03430	2.9
179.05515	1.0
190.05011	3.5
205.10190	0.9
206.99510	0.9
222.15373	1.0
223.08789	1.4
225.00653	5.5
227.08305	1.1
235.47076	1.0
239.11842	5.1
253.06075	1.6
253.09727	1.1
263.08298	1.1
265.06143	1.1
267.07703	2.9
267.11304	1.1
268.08224	1.1
280.08478	2.8
283.10858	15.7
284.11136	1.1
291.07849	1.3
295.10825	6.9
299.04517	1.1
299.28732	1.1
309.08810	1.2
309.53406	1.0
329.29645	1.2
402.18359	1.1
430.17685	1.4
494.28781	1.1
511.18671	5.9
512.18634	2.8
536.21722	1.0
610.23950	1.3
627.22791	1.2
654.23254	6.0
655.22998	1.4
658.26227	1.6
669.19696	1.4
686.25659	100.0
687.23322	28.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.3798
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62049	0.5
53.85448	0.5
56.16400	0.5
57.03302	0.9
57.10516	0.5
59.01248	7.7
61.98689	4.0
64.88142	0.5
70.46714	2.0
71.01250	4.4
72.99156	1.2
73.02811	0.6
78.95760	0.9
81.24107	0.5
83.01254	0.8
83.04912	0.6
85.02813	1.8
87.00737	1.3
88.98665	1.1
89.02307	3.7
91.41113	0.5
96.95878	1.0
97.06451	0.8
99.04379	0.8
101.02309	3.2
111.04340	0.6
111.08037	0.5
113.02293	2.2
116.92690	0.6
117.18069	0.5
119.03380	0.8
123.08103	0.8
124.35143	0.5
125.02337	0.8
135.08055	0.7
136.05141	0.6
137.06003	0.6
137.09564	0.6
148.05185	0.6
149.05931	2.1
150.06761	28.1
151.07265	1.7
161.04454	1.1
162.06725	1.4
162.15614	0.5
163.07542	6.0
164.08296	5.4
165.05467	0.6
165.09021	0.8
177.09068	1.3
178.09875	1.7
179.05519	1.1
179.10686	16.0
180.11026	0.8
193.08591	0.7
237.79103	0.5
263.91354	0.5
287.09085	0.6
306.18463	1.0
320.19861	0.7
321.20673	1.0
333.42728	0.6
341.23575	0.9
343.21152	4.5
351.47958	0.6
359.28107	0.6
459.31241	0.9
462.29779	2.0
476.31366	0.7
477.32050	6.3
478.32663	1.6
504.31131	0.9
505.31787	2.9
522.32062	2.0
523.32715	24.6
524.33228	3.6
625.35754	0.5
685.38037	100.0
686.38403	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	683.4006
Annotation	Unknow
Peak:m/z	Relative Intensity
55.61321	1.8
57.03316	4.2
59.01242	7.3
61.98700	21.4
69.35894	18.8
71.01250	6.7
72.00498	1.9
80.96380	2.1
89.02323	3.0
97.06473	16.1
98.19791	2.6
101.02309	3.8
123.08013	7.4
125.09605	79.7
126.09988	2.5
169.08563	2.3
178.18756	2.5
182.15692	2.0
187.08131	2.8
187.09680	34.8
233.30061	2.0
237.77911	2.1
277.21692	40.8
278.21945	2.8
405.17599	5.3
423.18750	4.1
555.28516	3.8
561.71210	2.3
600.68671	2.7
683.40027	100.0
684.40192	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	685.3071
Annotation	Unknow
Peak:m/z	Relative Intensity
55.24780	2.4
58.24121	2.0
59.01249	44.9
61.98683	3.3
64.77693	1.9
68.99649	2.3
71.01254	22.0
72.99175	2.1
75.00724	2.1
80.92654	2.0
85.02815	5.5
87.00730	7.4
89.02323	12.6
95.01235	4.5
99.00750	14.9
101.02309	12.5
108.02029	2.7
113.02294	8.4
117.03299	3.0
117.06984	5.0
119.03428	2.0
119.04879	2.7
121.02801	8.3
125.02322	4.5
133.06502	2.7
135.02858	2.2
135.04382	6.1
135.45631	2.2
145.02844	12.2
147.04340	8.8
148.05130	2.4
149.02338	8.7
149.05942	4.2
158.03528	2.4
159.04408	5.8
161.02328	5.6
161.04509	3.0
161.05937	7.1
161.09630	2.5
163.03938	12.2
163.07538	2.7
171.04398	3.5
171.08134	2.1
173.02281	3.5
173.05984	5.1
175.03897	5.9
175.07530	7.8
175.11253	2.2
177.01837	5.7
177.05444	3.3
178.06219	6.7
185.05948	5.1
187.03926	2.9
187.07523	5.2
189.01831	9.7
189.09052	4.0
190.09747	2.3
191.03410	7.5
191.10802	2.8
201.09140	2.6
203.03343	9.3
213.14807	4.3
215.03360	3.4
217.04922	6.0
229.12378	3.5
243.13828	2.4
253.09154	9.5
263.12708	3.1
271.20691	4.0
283.20621	7.0
289.21628	3.0
299.20065	8.5
313.17816	3.3
315.19641	19.6
316.19781	2.1
317.17526	3.2
317.21057	18.4
318.21472	2.9
325.17834	4.1
326.18500	2.6
327.19650	11.9
331.18979	5.5
333.20670	19.3
334.20914	2.3
339.19534	2.6
341.21130	4.6
343.19244	14.0
345.20883	14.1
353.17514	3.1
357.20602	3.1
361.20004	5.7
369.20721	3.7
371.18555	7.0
383.18484	2.9
387.21484	2.7
389.19678	2.7
435.23746	3.4
563.28381	6.6
568.21472	9.7
569.29889	4.8
579.27899	17.8
580.21063	2.9
581.29608	8.0
593.29150	4.9
594.29919	2.7
595.27563	22.3
597.29095	40.3
598.21222	3.4
598.29413	5.8
605.29028	4.0
607.27570	100.0
608.27747	18.4
611.30640	4.7
619.27277	6.4
623.30939	12.7
625.28619	24.7
626.28973	3.5
637.28601	66.9
638.28931	10.1
641.31354	5.6
649.28552	30.1
650.29120	8.9
667.29681	58.6
668.30084	12.3
685.30511	77.6
685.41785	4.7
686.30780	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	683.3854
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01744	0.6
57.03319	1.8
58.00454	0.7
59.00961	0.9
59.01249	15.3
61.98693	2.4
63.52709	0.5
66.33108	0.4
69.03320	0.9
69.11263	0.5
69.46526	3.2
71.01255	14.8
72.99166	1.5
73.02807	3.2
75.00755	0.7
83.01263	2.3
85.02818	6.2
85.64569	0.5
87.00743	5.5
89.02307	4.8
95.01259	1.4
96.95898	1.0
97.02823	1.0
99.00750	2.0
101.02317	6.3
111.00734	0.7
113.02332	4.6
117.01820	0.9
119.03384	1.8
125.02320	1.7
141.01773	0.6
161.04453	4.5
179.05527	16.7
180.05945	0.5
191.10709	0.4
229.86839	0.4
237.98331	0.4
273.20605	0.6
313.23828	4.7
314.35550	0.4
341.26926	4.1
342.27280	0.8
359.28033	26.4
360.28351	2.6
401.29214	0.7
477.27332	1.1
503.32248	52.0
504.32776	6.6
521.33270	100.0
522.33661	14.9
682.94299	0.5
683.39734	2.2
684.38129	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.3644
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74976	0.7
51.39067	0.9
53.88013	0.8
57.03307	1.1
59.01247	49.5
61.98715	0.9
69.03297	1.2
70.57504	0.8
71.01249	12.2
72.99152	1.1
73.02805	2.5
73.50498	0.7
81.03300	1.0
83.01212	1.2
83.04886	2.1
85.02813	3.6
87.00741	4.9
89.02321	6.2
95.01259	1.3
97.02842	1.1
101.02324	8.1
108.23859	0.7
109.06464	1.7
111.08012	2.1
113.02345	4.5
114.13317	0.8
135.08014	0.8
137.09659	1.5
143.03432	1.2
145.04951	2.7
161.04463	3.1
171.10168	28.5
172.10490	1.6
179.05501	1.4
195.13870	1.8
199.07460	0.7
203.14259	0.9
211.13275	0.9
213.14853	0.9
231.17393	1.0
235.08130	8.9
239.16426	1.6
253.09190	3.7
265.18076	1.5
265.33292	1.0
275.16562	1.6
275.20105	2.5
293.21228	14.5
294.21579	1.2
315.26907	3.2
325.25198	4.9
326.25775	1.4
341.24762	2.7
343.26395	4.8
351.23279	1.4
359.25912	8.1
361.27567	1.4
369.24203	10.3
370.24753	1.3
387.25375	38.0
388.25696	4.1
405.26404	23.3
406.26816	3.7
461.77393	0.8
479.30112	2.2
595.34357	2.0
623.34290	100.0
624.34650	19.4
684.40070	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.3134
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59682	4.7
59.01253	44.3
61.98700	28.4
71.01253	46.4
71.52514	8.2
73.02827	26.0
83.01250	14.6
84.62627	5.0
85.02817	21.5
87.00755	9.9
88.98662	11.2
89.02313	15.5
96.86419	4.8
96.95877	18.2
96.96847	6.5
97.02827	9.8
101.02321	45.3
103.03910	7.9
111.74552	5.8
113.02302	16.6
119.03362	10.1
125.02340	16.4
131.03369	7.0
133.71356	4.8
143.03386	8.7
156.62392	6.1
163.06061	40.2
205.07063	12.3
218.74443	6.4
247.08185	16.0
255.76732	5.2
353.07513	6.5
362.05914	5.4
623.29053	100.0
624.29401	16.2
648.16260	5.6
664.72064	5.9
683.38440	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	683.2558
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81273	0.8
57.03311	1.9
58.00459	2.5
59.01250	100.0
61.98684	1.3
70.77219	0.9
71.01255	62.6
71.50873	1.5
72.01595	0.8
72.99189	7.1
73.02826	2.0
76.33817	0.8
83.01263	2.1
85.02827	10.0
87.00740	4.3
88.98674	1.1
89.02314	73.8
90.02655	1.3
90.57715	0.7
95.01260	3.9
97.50360	0.9
99.00731	1.0
101.02319	28.6
107.04930	5.1
113.02326	22.8
114.02648	1.0
119.02591	1.8
119.03397	26.7
119.04255	1.4
120.03716	0.9
121.02826	2.1
122.03616	3.0
122.05939	1.0
131.03409	4.0
135.04495	1.3
137.02254	1.3
143.03406	5.1
149.04462	2.4
161.04448	6.3
167.03366	0.9
167.97536	1.0
179.05531	17.3
179.07014	1.7
185.66380	0.9
229.08612	7.9
268.84360	1.0
273.07651	3.6
435.12888	3.6
477.14432	1.2
639.19531	6.7
683.35284	1.6
684.23438	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	681.4061
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01741	1.7
57.03302	1.1
58.00461	2.3
59.01247	49.2
61.98691	1.3
67.01714	0.4
68.99684	0.6
69.03332	2.6
71.01252	39.7
72.01599	0.4
72.99190	2.6
73.02819	7.6
75.00726	1.1
81.03314	1.6
83.01257	4.6
83.42572	0.4
85.02820	8.5
85.99944	0.4
87.00749	9.8
89.02316	31.8
90.02664	0.6
91.03840	0.9
95.01246	3.1
95.04921	0.5
97.02830	6.5
99.00751	2.8
101.02319	29.8
102.02628	0.5
109.02823	0.8
111.00755	1.0
111.04363	1.4
113.02324	14.8
114.02673	0.4
115.03886	1.1
119.03379	11.4
121.02821	0.8
124.01483	0.5
125.01465	0.7
125.02337	12.8
127.03891	0.8
131.03406	1.8
133.04971	0.9
139.03964	0.7
141.01801	0.6
143.03401	6.2
149.04442	0.7
159.02966	0.4
161.04451	7.5
167.03285	0.8
169.04901	0.6
179.05524	6.9
185.04399	0.6
185.11650	0.6
199.06053	0.7
203.05504	0.5
217.07082	1.3
221.06583	2.9
230.42326	0.4
235.08191	14.8
245.06648	0.5
253.09251	3.5
263.07666	1.3
277.09369	0.8
277.21643	0.5
283.26401	100.0
284.26746	10.9
287.07690	4.2
297.27927	0.5
305.08752	4.2
323.09787	2.1
361.11383	0.4
379.12256	1.1
397.13470	91.4
398.13852	8.6
415.14551	34.0
416.14865	4.0
627.36694	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.2552
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00462	4.0
59.01246	90.2
71.01251	68.6
71.50728	2.3
72.99177	5.1
83.01249	2.1
85.02810	9.7
87.00750	3.5
87.14690	1.2
89.02311	100.0
95.01263	4.0
101.02316	29.6
101.02930	2.2
103.65144	1.4
107.03357	1.4
113.02326	28.2
119.03385	40.4
131.03391	6.9
135.04417	1.5
143.03400	12.1
149.04506	2.7
161.04463	12.9
172.05157	2.5
179.05528	70.0
180.05818	1.3
187.07481	1.6
206.08142	1.9
295.06439	1.5
335.31287	1.2
341.13739	2.3
359.14890	4.1
372.23639	1.4
373.66656	1.4
455.61246	1.4
478.06924	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	681.3708
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01768	0.9
57.03308	0.9
58.00455	0.5
59.01252	14.8
61.60866	0.4
61.98711	0.8
64.70132	0.4
69.03342	0.5
71.01254	11.2
71.04884	0.8
71.11001	1.0
72.99196	0.7
73.02827	2.6
74.56136	0.4
82.56036	0.4
83.01260	2.6
85.02821	4.3
87.00746	2.7
89.02316	5.3
95.01269	0.9
98.20503	0.4
99.00739	1.4
101.02318	6.9
107.97034	0.5
111.75883	0.5
113.02337	4.1
116.92725	0.6
117.01795	0.5
119.03381	2.1
125.02377	1.2
133.58177	0.4
143.97997	0.4
150.65234	0.4
155.69016	0.4
161.04433	2.1
171.10167	0.5
178.70976	0.4
179.05534	8.5
185.11816	1.0
199.13412	0.6
204.60782	0.4
223.13405	1.3
297.24261	0.9
309.24521	1.5
327.25412	4.0
328.25864	0.5
339.25381	10.9
340.25717	1.7
357.26456	19.5
358.26819	1.8
397.13510	1.1
415.14597	0.7
459.27539	1.2
501.30692	57.8
502.31049	9.6
517.30298	0.6
518.30438	0.5
519.31732	100.0
520.32056	16.8
681.36987	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	681.3703
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01746	0.6
57.03322	1.1
58.00453	1.1
59.01249	23.2
60.01590	0.4
61.98687	2.1
63.32117	0.4
69.03314	0.9
70.83694	1.1
71.01254	17.5
72.99174	1.7
73.02810	3.5
83.01265	2.2
85.02824	5.6
85.30525	0.3
87.00742	1.9
88.98651	0.4
89.02319	7.3
95.01246	1.2
97.02813	0.7
97.06438	2.0
99.00753	1.3
99.04383	0.4
101.01715	0.6
101.02325	9.2
111.00793	0.6
113.02349	4.8
119.03389	2.5
125.02333	1.3
141.12769	0.5
143.03380	0.5
161.04430	1.2
179.05516	2.5
179.44144	0.4
185.11732	1.8
187.26550	0.4
195.13817	0.6
205.12302	0.7
223.13397	5.4
229.25864	0.4
241.18053	2.8
260.62820	0.4
309.24411	2.4
315.25299	0.7
321.24335	2.2
322.24518	0.4
327.25412	4.6
331.20749	0.4
339.25406	11.5
340.25577	1.4
357.26453	12.1
358.26807	1.5
397.13531	3.7
415.14325	2.0
459.29163	0.5
477.30472	0.9
482.75333	0.4
489.30994	0.7
501.23114	0.6
501.30701	17.7
502.30975	2.3
519.31738	34.6
520.32129	4.4
588.72626	0.4
615.97162	0.4
621.27460	1.4
663.35760	1.0
681.36981	100.0
682.37292	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	681.3702
Annotation	Unknow
Peak:m/z	Relative Intensity
53.65884	0.4
55.01751	0.8
56.58219	0.5
57.03299	1.3
57.15370	0.4
58.00460	1.1
59.00958	0.9
59.01247	12.2
61.07140	0.5
61.98690	1.6
62.72567	0.5
64.80101	0.5
69.03297	0.7
71.01247	12.8
72.01580	0.5
72.99172	1.1
73.02821	3.0
75.00732	0.5
83.01270	2.7
85.02821	5.0
87.00749	7.4
88.01067	0.4
89.02313	3.9
95.01255	1.5
96.30055	0.5
96.95862	0.8
97.02823	0.7
98.19746	0.9
99.00744	1.8
101.02321	6.7
105.33511	0.4
111.00766	0.5
113.02325	3.6
115.00204	0.5
116.92738	1.2
117.01797	0.6
118.51020	0.4
119.03363	1.6
120.99631	0.5
125.02309	1.8
139.11171	1.0
141.01900	0.5
144.22499	0.5
159.02859	0.9
161.04440	5.0
171.10173	0.5
175.02449	0.7
177.03932	0.6
179.05524	30.0
180.05870	1.4
229.63589	0.5
265.80243	0.6
267.23151	0.6
284.48969	0.4
311.22299	2.9
327.25482	0.5
339.25357	5.7
357.26428	22.7
358.26660	2.4
367.40817	0.5
369.87793	0.5
459.27435	0.7
501.30679	44.7
502.30994	6.5
519.31708	100.0
520.32031	16.0
591.29913	0.7
681.36865	3.8
682.37604	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.2246
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10014	3.0
50.36055	2.9
56.69186	3.3
58.84391	2.8
59.01250	53.0
69.03336	5.4
71.01253	92.9
72.99166	3.3
73.02814	48.4
83.01248	10.0
85.02819	42.3
87.00739	14.0
89.02317	43.2
91.01778	9.5
93.03337	15.4
94.48575	3.2
95.01241	6.3
97.02817	9.2
99.00746	9.3
101.02326	100.0
113.02322	36.4
115.03857	4.5
116.92743	14.3
119.03387	21.8
121.02832	9.9
125.02335	56.2
131.03419	15.7
133.02826	4.2
137.02342	55.7
143.03413	14.0
145.04968	44.0
150.01743	14.0
151.02518	21.5
151.03902	71.1
159.02921	3.9
161.04471	75.5
165.04080	19.0
178.71916	3.3
179.05530	60.7
186.12224	3.8
194.08998	4.0
207.05174	62.4
221.06558	25.6
245.81087	3.6
247.08232	42.7
283.06763	10.9
367.12494	21.8
409.13596	26.0
469.15573	42.7
470.16196	4.0
479.50421	3.7
589.17957	33.0
590.18066	7.6
681.19934	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	681.1421
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	13.9
59.16451	4.6
60.88589	5.2
61.10561	4.0
69.16463	8.4
69.16801	53.2
70.15140	3.9
71.01244	8.7
73.11887	4.5
89.02326	11.1
98.19998	21.9
101.02367	6.1
113.02364	6.2
116.92741	43.7
119.03355	6.4
133.02855	10.9
133.74269	4.3
157.88907	4.5
175.04007	5.5
177.60252	4.3
178.62622	5.2
184.85591	4.4
225.07896	5.3
239.12883	12.5
287.96432	4.8
298.04822	4.8
299.05728	6.1
303.89975	4.3
311.05496	11.3
312.06281	9.2
313.07153	12.4
325.07083	5.6
327.05005	11.8
339.05023	22.5
341.06784	5.9
367.04401	6.4
369.06094	46.5
385.05566	12.8
397.05405	8.1
399.07190	19.0
401.07031	5.9
411.14508	6.5
415.06595	17.2
474.42249	5.4
489.03595	4.4
489.10434	25.4
505.09805	57.2
573.11890	6.5
591.13489	100.0
592.14221	14.5
616.78711	5.0
618.14581	19.4
619.24805	6.5
630.46252	5.0
637.26062	12.2
681.25964	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	681.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61742	4.5
55.77297	3.9
58.02861	5.6
59.01249	9.0
71.01253	16.7
71.50388	5.9
74.02343	37.7
77.49992	3.9
85.01054	4.7
87.05514	10.9
97.03951	8.0
99.05497	21.2
100.00326	4.3
101.02318	7.8
108.04407	6.5
111.05489	9.3
113.00552	95.8
113.02293	7.1
113.03500	4.9
116.04941	7.9
125.03447	13.5
137.07097	9.3
143.04520	23.1
153.06613	12.4
156.46153	4.8
161.04401	7.4
168.28523	4.0
169.02461	15.8
170.03250	5.7
187.36708	4.3
193.10826	5.3
199.08818	6.5
243.19795	4.6
299.15240	6.7
343.14093	7.4
369.12024	21.7
403.10654	13.5
483.13385	15.6
523.20465	88.2
524.20789	9.5
557.19171	100.0
558.19415	6.7
567.19183	4.8
601.18237	18.9
637.21869	29.8
681.21051	32.3
682.20905	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	679.3905
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	1.4
55.36048	0.2
57.03326	1.3
58.00467	1.7
59.01247	40.0
60.01584	0.4
61.98687	0.4
68.99683	0.3
69.03336	1.8
71.01250	35.3
72.01594	0.5
72.99179	2.3
73.02814	5.9
75.00739	0.9
75.09525	0.3
80.96373	0.3
81.03334	1.2
83.01254	3.9
85.02818	7.6
85.99994	0.3
87.00747	7.6
87.04395	0.3
89.02309	29.7
91.03899	0.4
95.01259	2.5
97.02821	5.5
99.00751	2.3
99.04362	0.5
101.02319	27.5
102.02657	0.5
109.02810	0.4
109.06106	0.3
111.00767	0.7
111.04403	0.9
112.01548	0.3
113.02327	13.3
115.03896	0.8
119.03378	9.6
120.03713	0.3
121.02816	0.4
123.00766	0.3
123.04450	0.5
124.01523	0.5
125.02329	13.4
126.02700	0.4
127.03840	0.3
129.01817	0.3
131.03374	1.8
133.04953	1.2
139.03899	1.2
141.01805	0.8
143.03398	5.4
149.04460	0.9
151.03914	0.3
161.04449	7.0
167.03395	0.5
169.04831	0.3
175.02379	0.4
179.05519	5.3
181.04903	0.4
185.04468	0.4
199.06093	0.6
203.05579	0.6
217.07095	1.2
219.04944	0.5
221.06604	2.8
235.05806	0.7
235.08173	12.9
236.08672	0.4
245.06633	0.7
253.09233	2.5
263.07697	1.6
277.09311	1.1
281.24835	100.0
282.25183	10.0
287.07663	3.1
295.26324	0.7
305.08722	4.4
323.09729	1.5
323.26062	0.4
361.11295	0.7
379.12317	1.1
397.13458	81.7
398.13815	7.5
398.18945	0.2
415.14532	32.5
416.14886	2.9
679.39307	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.3483
Annotation	Unknow
Peak:m/z	Relative Intensity
53.60784	1.2
59.01236	2.8
60.05712	1.1
61.98695	8.2
71.50826	1.6
73.88420	1.2
93.03335	3.8
96.54756	1.3
101.14264	1.7
106.04120	10.7
107.04902	34.9
108.02029	5.5
113.02299	1.7
119.04952	1.4
121.02835	3.0
211.07561	6.9
213.09137	76.9
214.09456	5.8
257.08121	6.7
273.95337	1.2
277.21762	7.0
300.52155	1.2
311.22250	2.5
679.34814	100.0
680.35162	19.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.3695
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01238	9.5
61.98684	2.5
67.01750	1.2
69.73549	1.0
71.01253	14.1
71.50166	1.5
71.63552	1.2
72.99174	2.1
73.02821	1.7
75.00751	2.5
78.95770	2.0
83.01260	5.5
85.02805	2.2
87.00748	29.2
99.00748	1.7
104.31142	1.0
111.00767	5.3
111.65926	1.0
115.00252	72.4
116.00546	1.9
116.59954	1.1
119.11332	1.0
127.00271	1.7
139.00237	8.5
143.50804	1.1
152.99484	2.0
157.01323	17.3
169.44220	1.0
175.02391	100.0
176.02762	3.2
183.13757	1.1
197.15285	1.4
211.13342	3.6
213.14870	1.2
223.13280	2.0
225.14810	5.0
237.14888	2.8
239.12979	1.3
241.14444	5.4
247.13292	2.5
251.12799	1.1
253.14423	1.6
255.15987	2.0
261.14957	2.7
269.13809	4.7
287.15021	6.6
289.14444	2.5
291.19638	6.5
307.15411	2.6
309.20700	6.1
310.21661	1.1
501.20502	1.1
525.33557	1.1
537.10785	1.1
543.30225	1.0
561.34155	4.8
579.26947	2.1
579.35333	23.9
580.35614	4.1
582.70789	1.1
595.28894	2.8
599.36127	1.7
619.34814	13.2
620.35284	2.3
643.34711	2.6
679.36652	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.2818
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	2.6
57.03314	2.9
57.07421	0.8
57.19420	0.8
58.02822	1.3
59.00962	1.9
59.01250	34.9
61.98689	3.5
69.03304	1.1
69.20801	9.6
69.70470	0.9
71.01252	44.3
72.99171	3.5
73.02820	12.2
75.00735	2.2
81.03361	0.8
83.01258	8.6
83.04876	1.1
85.02818	17.4
87.00742	3.7
89.02324	14.8
95.01260	3.8
96.95866	2.4
97.02824	2.2
99.00769	5.1
99.04398	1.6
101.02321	43.2
102.01841	3.1
102.02548	1.4
102.91974	0.9
109.02821	1.1
110.02361	1.2
111.00748	1.0
111.04377	1.8
113.02332	18.0
115.00291	0.9
116.92737	7.2
117.92761	1.1
119.03396	6.7
119.79928	0.8
120.08040	2.0
122.05928	1.2
125.02338	3.1
127.03883	2.7
129.01843	1.3
137.04730	0.9
143.03410	2.2
149.20920	0.9
150.20528	1.1
152.07074	2.5
159.02905	3.5
161.04477	13.0
175.02426	1.5
179.05513	6.9
263.07663	1.0
267.06717	2.0
287.09140	2.3
295.06030	3.6
301.12027	4.3
307.10321	1.1
311.15018	11.7
319.12814	2.9
327.04993	2.5
415.10434	5.9
431.22418	1.3
457.20767	29.9
458.21075	3.9
473.23996	4.6
498.27423	1.1
599.24976	1.9
617.26007	11.6
618.26367	2.7
619.26025	100.0
620.26404	17.7
635.16711	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	677.4856
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59648	1.1
54.36733	1.0
59.01251	48.8
61.98691	1.2
62.00698	1.1
70.35126	1.1
81.03329	6.0
83.04893	14.1
98.19774	2.7
111.45258	1.3
115.71776	1.4
127.33912	1.0
147.96762	1.1
149.80763	1.2
172.74823	1.1
193.08310	1.4
225.16058	4.4
246.35654	1.4
249.10965	1.3
324.38907	1.3
391.29544	7.8
422.18085	1.3
533.40692	2.3
599.45020	2.1
601.19629	1.2
617.46460	100.0
618.46826	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	677.4939
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	1.0
61.98687	0.5
67.58112	0.2
71.01231	0.5
71.50542	0.3
73.02829	0.3
74.61695	0.2
80.04907	0.2
81.03325	6.1
83.04891	18.2
84.05218	0.4
88.74958	0.2
96.95856	0.4
100.07570	0.3
101.02312	0.5
106.06535	0.2
107.05991	0.4
108.04434	0.6
122.05892	0.2
125.07085	0.7
126.05490	0.4
143.08141	0.7
152.07069	0.3
191.80032	0.2
207.14972	1.4
221.81369	0.2
224.17599	2.8
225.16023	12.9
226.16330	0.8
242.18680	0.9
290.22324	0.4
297.04114	0.4
298.71939	0.2
299.74869	0.2
309.21814	0.5
324.26447	0.7
325.03467	0.8
333.22794	1.0
341.29221	1.1
351.23941	0.3
353.03027	1.5
367.26971	1.3
377.43616	0.2
385.28275	0.4
407.33725	0.4
433.31586	1.2
434.31931	0.4
450.34430	1.7
451.32846	5.9
452.33011	1.1
515.08008	0.6
536.24554	0.2
550.43213	1.0
559.39447	0.5
565.44421	0.5
593.43707	1.0
615.24872	0.2
659.48602	1.1
660.49884	0.3
677.49634	100.0
678.49945	23.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.3757
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01750	0.9
57.03309	1.0
57.35778	0.3
58.00465	1.9
59.01250	35.0
61.98692	0.8
67.01770	0.3
68.99671	0.4
69.03322	2.0
71.01250	33.0
72.01569	0.4
72.99183	3.6
73.02817	5.6
75.00746	0.7
78.95773	0.9
80.50095	0.3
80.96385	1.1
81.03330	1.7
83.01262	2.9
85.02353	0.6
85.02822	7.4
87.00743	8.6
87.04449	0.3
89.02313	27.5
91.03877	0.6
95.01257	2.3
97.02826	6.0
98.19801	0.9
99.00741	2.4
99.04402	0.5
101.02321	26.7
102.02635	0.7
103.03898	0.5
109.02819	0.8
111.00768	0.5
111.04430	0.8
111.71959	0.3
113.02328	13.7
114.02657	0.4
115.03899	0.5
115.91972	0.7
116.92725	1.1
119.03387	10.4
121.02810	1.0
123.04335	0.4
125.02327	11.7
126.02637	0.4
127.03914	0.7
131.03368	1.6
133.04916	1.3
139.03888	0.8
141.01817	0.7
143.02362	0.6
143.03404	5.9
149.02243	0.3
149.04419	0.8
152.99507	1.0
157.04985	0.6
161.04463	6.5
162.49324	0.3
163.03943	0.4
167.03398	0.4
169.04971	0.5
171.02733	0.4
179.05528	5.9
203.05556	0.6
217.07080	0.6
219.04968	0.5
221.06630	1.8
235.08179	13.3
236.08447	0.6
253.09274	3.4
261.22226	0.4
263.07608	1.0
277.09195	0.8
277.21381	0.4
279.23282	100.0
280.23627	8.8
287.07709	3.7
305.08755	3.4
323.09903	1.9
361.11255	0.8
379.12531	0.8
397.13480	74.6
398.13870	6.3
415.14554	32.2
416.15036	2.2
577.26904	1.1
595.29095	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.3748
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45800	0.3
55.01754	1.4
57.03320	1.2
58.00471	2.3
59.01251	37.6
65.20016	0.3
68.99679	0.7
69.03326	2.4
69.60963	2.0
71.01254	33.6
72.99185	2.8
73.02818	5.3
75.00740	0.5
78.95776	6.1
81.03328	1.7
83.01264	3.5
85.02822	7.9
85.99967	0.5
86.81403	0.3
87.00241	0.6
87.00755	7.7
89.02316	28.4
90.02653	0.5
91.03880	0.6
93.03313	0.6
94.22482	0.4
95.01249	2.4
96.96830	1.3
97.02826	6.1
98.20515	0.7
99.00771	1.8
99.04398	0.4
101.02325	27.9
109.02834	0.8
111.00742	0.7
111.04382	1.1
113.02328	13.1
114.02641	0.4
114.26180	0.4
115.03880	0.8
119.03387	10.3
119.04247	0.5
121.02818	0.4
123.04407	0.5
124.01550	0.4
125.02336	11.3
126.02685	0.6
129.01825	0.3
131.03378	1.6
133.04950	0.8
137.02327	0.6
139.00217	0.4
139.03926	0.8
141.01794	0.6
143.03412	6.1
149.02393	0.4
149.04529	0.6
152.98312	0.6
152.99492	7.0
161.04466	6.4
167.03336	0.9
179.05544	6.0
199.06201	0.4
217.07230	0.8
221.06633	2.4
222.99976	0.6
230.54984	0.3
231.84099	0.3
235.08199	14.2
236.08551	0.8
241.01195	2.0
245.06635	0.9
253.09219	3.3
263.07684	1.4
270.89920	0.4
276.35126	0.3
277.09286	1.3
279.23282	100.0
280.20755	0.7
280.23651	10.0
287.07642	3.6
305.08841	3.7
315.04840	1.0
323.09842	1.1
334.36542	0.3
361.11374	0.6
379.12460	0.8
397.13486	76.7
398.13837	5.7
415.14557	31.4
416.15033	1.7
595.28845	10.0
596.29291	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.2941
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	6.2
61.98695	2.7
69.76967	10.1
71.01236	9.8
78.95767	45.0
79.16562	2.0
83.01272	6.4
85.02814	3.1
87.00756	21.3
96.96834	5.0
111.00751	9.7
115.00244	34.6
129.51552	2.5
139.00230	9.2
152.99487	75.8
153.99872	2.1
156.00526	27.2
157.01323	36.3
174.01599	41.9
175.02390	100.0
207.12904	2.0
422.54431	2.4
501.26294	46.5
502.26413	7.6
563.09070	2.4
615.29419	11.3
641.26544	3.6
659.28125	3.0
677.29535	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	677.2943
Annotation	Unknow
Peak:m/z	Relative Intensity
56.49196	1.6
57.03362	1.6
59.01250	10.7
61.98705	1.9
65.99854	1.9
69.67342	2.9
69.67757	7.7
71.01249	14.2
72.99185	2.3
77.91215	1.8
78.95775	56.5
83.01253	5.9
85.02822	6.0
87.00755	31.4
89.07256	1.6
96.87299	1.5
96.96832	6.5
111.00775	11.6
113.21223	1.7
113.99461	2.3
115.00266	43.7
125.78207	1.9
128.01079	2.8
137.04054	1.9
137.69592	1.5
139.00278	12.3
152.99489	100.0
156.00525	25.4
157.01335	39.4
171.00554	5.3
174.01607	33.5
175.02402	91.4
175.03937	3.0
176.02791	2.1
191.01889	2.7
194.73337	1.7
294.67740	1.9
337.24097	1.5
350.25491	1.8
434.27286	1.7
480.23386	1.8
501.26184	39.7
502.26254	3.9
615.29279	13.3
616.30200	2.4
617.27704	2.1
641.27020	3.1
659.27771	3.6
677.29199	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	677.2826
Annotation	Unknow
Peak:m/z	Relative Intensity
58.72803	1.4
69.22369	7.3
69.22803	6.1
72.48238	1.2
80.04943	3.3
82.02853	3.9
83.55078	1.3
91.46212	1.4
94.02862	41.9
94.06487	5.5
96.04417	3.6
104.04900	1.8
105.05648	1.4
106.06490	2.9
107.03642	6.0
109.15313	1.2
110.06010	2.1
113.99467	1.5
120.08084	29.7
122.06004	41.6
132.04417	4.4
134.06021	9.6
136.03969	1.6
137.04755	2.0
137.24068	1.2
138.05505	17.4
139.02715	2.3
150.05490	1.4
152.07077	89.7
153.07391	3.4
158.02309	2.1
161.04758	2.2
164.07065	4.1
190.05023	4.6
211.12274	1.7
223.08685	8.0
224.09425	2.7
225.10249	4.5
226.07191	1.3
235.12332	3.0
236.09370	1.6
237.10312	10.8
238.10902	4.4
239.11842	8.3
245.12943	5.1
249.06641	2.5
249.10345	2.4
250.07355	1.7
251.08301	3.4
251.11946	7.5
252.12518	2.0
263.08231	6.5
264.09015	10.1
265.09769	9.2
267.11325	2.4
269.12701	1.8
271.10767	2.5
276.09149	2.6
277.09729	4.9
278.10623	2.8
279.11395	33.8
280.11932	6.0
281.12912	2.0
283.10849	2.1
291.11389	7.2
292.12045	4.1
295.10837	5.5
313.11774	2.7
322.09583	1.3
323.10370	8.2
324.11093	4.4
325.11932	3.3
355.12769	3.4
374.19153	1.6
376.16702	3.6
388.16452	2.3
402.18283	10.1
403.18634	2.1
404.19751	1.8
426.18777	1.4
430.17657	2.8
444.19180	10.4
445.19980	2.4
447.17874	1.8
448.18784	6.1
460.18576	1.5
461.19531	5.2
462.20081	4.4
471.17807	3.9
488.18280	14.8
489.18997	13.0
490.19522	2.2
499.23438	1.8
520.20844	25.3
521.21179	3.9
541.24799	11.6
542.24719	2.1
583.25836	9.3
584.25970	2.0
585.23602	27.5
586.24170	5.1
601.26514	5.0
617.26160	31.9
618.26514	6.0
627.24585	26.6
628.24854	4.9
645.25677	100.0
646.26086	18.5
659.26990	14.4
660.27466	2.7
677.28223	29.1
678.28601	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	677.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
55.86627	1.4
59.01240	5.8
61.98683	4.4
64.36259	1.7
71.39467	2.3
72.25005	1.4
78.49261	1.7
80.96378	4.0
96.95856	3.9
109.76487	1.6
152.95787	1.5
171.08310	1.5
227.16527	1.7
313.40158	1.5
366.25510	2.8
408.58981	1.7
438.13220	2.6
481.15161	14.1
482.15295	3.4
495.16815	3.8
539.15417	2.6
540.16370	5.8
555.18732	21.3
556.19318	6.7
572.15363	7.0
579.28534	5.9
641.22437	29.5
642.22919	4.9
677.20172	100.0
678.20386	32.9
678.31226	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	677.2196
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02310	0.5
58.02848	9.0
69.20654	0.5
70.01283	2.1
70.02847	4.0
72.00774	3.2
72.61951	0.4
85.02847	0.5
91.05407	2.1
116.44302	0.4
119.03176	0.5
147.04410	17.7
148.04816	0.8
148.96175	0.5
161.91562	0.4
164.07077	49.3
165.07390	2.4
185.01796	0.5
206.08156	100.0
207.08536	5.5
541.41925	0.5
561.80890	0.5
652.22241	0.5
655.96692	0.5
677.29913	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.3599
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	5.3
59.01245	30.8
61.97502	2.2
61.98711	15.5
71.01246	18.4
71.50517	4.2
73.02811	5.2
75.00738	2.4
83.01257	4.2
83.04906	6.2
85.02830	13.7
87.00727	3.5
89.02322	10.5
95.04903	4.4
96.95887	16.1
97.02879	3.4
97.06475	2.6
100.77950	2.2
101.02320	12.8
106.06522	7.3
108.04482	3.1
109.06487	4.7
113.02322	8.8
115.00219	3.0
120.04462	2.5
122.06008	9.4
125.09637	16.3
128.03510	3.6
129.01797	4.8
131.03616	4.5
132.04417	12.9
133.02885	2.4
134.06027	8.5
136.07588	6.8
138.05568	3.1
139.03883	2.7
143.04501	3.0
149.06079	2.5
150.05487	5.3
152.07077	6.5
161.04465	3.8
163.11212	9.6
165.12767	3.3
169.12292	4.3
171.10178	24.2
178.99733	2.3
179.05583	3.3
185.11826	4.4
197.11769	8.3
207.10184	4.9
209.11880	11.4
211.13266	7.8
215.11807	9.9
221.15385	4.2
224.09496	2.8
225.11142	3.6
226.12006	6.6
227.12070	9.9
228.12305	2.3
229.09781	4.1
229.14174	9.0
235.08365	2.4
237.10210	11.7
243.11404	3.5
249.14864	5.3
251.08376	7.2
251.11809	15.8
253.09288	13.5
253.13451	2.7
254.10657	3.8
255.11359	7.9
256.31955	2.3
257.09393	2.6
257.10220	2.8
257.12921	21.6
258.13232	2.6
263.08273	10.8
263.16559	5.5
264.09045	30.0
265.09555	6.4
265.17975	4.5
267.11566	3.3
269.09854	2.6
269.12888	3.8
273.12408	9.0
273.15060	2.9
277.09711	6.6
279.11386	62.7
280.11829	5.9
281.09363	3.7
285.13348	3.5
293.09253	3.2
295.10718	4.9
297.12369	14.7
301.11862	4.2
305.09338	4.6
313.03378	5.7
313.11246	3.1
317.11307	6.6
319.13065	4.3
323.10330	20.9
324.10779	4.0
329.24841	13.8
335.12476	45.0
341.11365	23.3
342.11859	3.1
347.25967	8.2
351.21014	3.2
355.22861	9.1
367.09222	4.1
369.21707	17.3
373.14120	4.1
373.23785	39.3
385.23730	2.8
391.24902	37.4
392.25131	3.9
403.24878	8.2
409.25986	22.4
410.26404	4.7
421.25919	9.0
436.18576	3.3
439.26682	4.3
446.08530	5.2
447.08691	2.9
462.21268	19.4
489.09821	3.5
502.16351	2.8
534.19006	6.6
563.23029	7.2
581.23755	9.9
599.24927	3.8
625.22821	20.6
626.22955	3.7
627.33954	3.6
643.23950	35.2
644.24304	10.1
645.34912	100.0
646.35193	14.7
649.29810	10.0
657.25214	5.6
657.35095	22.0
658.35516	5.5
675.26349	17.8
675.35840	99.6
676.25995	5.3
676.36792	18.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.3599
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	5.3
59.01245	30.8
61.97502	2.2
61.98711	15.5
71.01246	18.4
71.50517	4.2
73.02811	5.2
75.00738	2.4
83.01257	4.2
83.04906	6.2
85.02830	13.7
87.00727	3.5
89.02322	10.5
95.04903	4.4
96.95887	16.1
97.02879	3.4
97.06475	2.6
100.77950	2.2
101.02320	12.8
106.06522	7.3
108.04482	3.1
109.06487	4.7
113.02322	8.8
115.00219	3.0
120.04462	2.5
122.06008	9.4
125.09637	16.3
128.03510	3.6
129.01797	4.8
131.03616	4.5
132.04417	12.9
133.02885	2.4
134.06027	8.5
136.07588	6.8
138.05568	3.1
139.03883	2.7
143.04501	3.0
149.06079	2.5
150.05487	5.3
152.07077	6.5
161.04465	3.8
163.11212	9.6
165.12767	3.3
169.12292	4.3
171.10178	24.2
178.99733	2.3
179.05583	3.3
185.11826	4.4
197.11769	8.3
207.10184	4.9
209.11880	11.4
211.13266	7.8
215.11807	9.9
221.15385	4.2
224.09496	2.8
225.11142	3.6
226.12006	6.6
227.12070	9.9
228.12305	2.3
229.09781	4.1
229.14174	9.0
235.08365	2.4
237.10210	11.7
243.11404	3.5
249.14864	5.3
251.08376	7.2
251.11809	15.8
253.09288	13.5
253.13451	2.7
254.10657	3.8
255.11359	7.9
256.31955	2.3
257.09393	2.6
257.10220	2.8
257.12921	21.6
258.13232	2.6
263.08273	10.8
263.16559	5.5
264.09045	30.0
265.09555	6.4
265.17975	4.5
267.11566	3.3
269.09854	2.6
269.12888	3.8
273.12408	9.0
273.15060	2.9
277.09711	6.6
279.11386	62.7
280.11829	5.9
281.09363	3.7
285.13348	3.5
293.09253	3.2
295.10718	4.9
297.12369	14.7
301.11862	4.2
305.09338	4.6
313.03378	5.7
313.11246	3.1
317.11307	6.6
319.13065	4.3
323.10330	20.9
324.10779	4.0
329.24841	13.8
335.12476	45.0
341.11365	23.3
342.11859	3.1
347.25967	8.2
351.21014	3.2
355.22861	9.1
367.09222	4.1
369.21707	17.3
373.14120	4.1
373.23785	39.3
385.23730	2.8
391.24902	37.4
392.25131	3.9
403.24878	8.2
409.25986	22.4
410.26404	4.7
421.25919	9.0
436.18576	3.3
439.26682	4.3
446.08530	5.2
447.08691	2.9
462.21268	19.4
489.09821	3.5
502.16351	2.8
534.19006	6.6
563.23029	7.2
581.23755	9.9
599.24927	3.8
625.22821	20.6
626.22955	3.7
627.33954	3.6
643.23950	35.2
644.24304	10.1
645.34912	100.0
646.35193	14.7
649.29810	10.0
657.25214	5.6
657.35095	22.0
658.35516	5.5
675.26349	17.8
675.35840	99.6
676.25995	5.3
676.36792	18.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.3593
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	1.7
55.51808	0.2
57.03325	1.2
58.00470	2.3
59.01247	43.6
60.01596	0.5
61.98698	0.5
66.45606	0.2
67.01752	0.2
68.99685	0.5
69.03324	2.2
71.01250	43.1
71.49245	0.3
72.01591	0.7
72.99174	3.3
73.02814	6.8
75.00742	0.9
78.95770	0.2
81.03330	2.1
83.01247	5.0
83.04893	0.6
85.02824	9.2
85.99985	0.4
87.00328	0.1
87.00745	10.9
89.02312	35.7
90.02652	0.4
91.03881	0.7
93.03333	0.5
95.01250	2.9
97.02827	6.9
97.03468	0.3
98.03166	0.2
99.00749	2.2
99.04396	0.5
101.02317	35.3
101.42956	0.2
102.02638	0.8
103.00294	0.2
103.03868	0.4
109.02846	0.7
111.00761	0.8
111.04405	1.1
113.02324	17.2
114.02676	0.4
115.03905	0.7
119.03383	11.9
120.03810	0.2
120.15025	0.2
121.02827	0.9
123.04472	0.2
124.01517	0.2
125.02330	13.8
125.19871	0.2
126.02689	0.4
127.03902	0.5
127.07505	0.4
131.03407	1.9
133.04951	0.9
133.87648	0.2
137.02315	0.4
137.05943	0.2
139.03880	1.4
141.01874	0.5
143.03395	6.9
149.02368	0.3
149.04437	1.2
151.03926	0.3
157.04997	0.3
161.04457	7.4
162.04773	0.2
163.04063	0.3
167.03397	0.7
169.05084	0.4
171.02873	0.3
179.03839	0.4
179.05527	7.9
180.05840	0.3
185.04385	1.0
199.05981	0.5
203.05544	0.5
205.19548	0.3
217.07027	1.3
219.05063	0.4
221.06604	2.9
231.66396	0.2
233.22632	0.2
235.08182	15.8
236.08559	0.9
245.06577	1.1
253.09215	4.5
259.20624	0.7
263.07721	1.7
275.20081	0.4
275.33850	0.2
277.09552	1.1
277.21698	100.0
278.22043	9.6
287.07721	3.4
288.08029	0.4
291.23264	0.6
305.08749	4.6
306.09079	0.2
323.09769	2.0
324.09949	0.2
361.11282	0.6
379.12384	1.1
397.13455	84.5
398.13791	7.4
409.75229	0.2
415.14536	36.4
416.14890	3.0
543.78796	0.3
640.19592	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.3596
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	1.8
57.03314	1.4
58.00470	2.3
58.53532	0.4
59.01248	43.3
68.99660	0.4
69.03333	2.8
71.01252	41.8
71.07353	0.9
72.01569	0.5
72.99169	3.1
73.02818	6.8
75.00733	0.6
78.95764	1.8
81.03332	1.5
83.01256	4.5
83.04901	0.7
85.02821	8.9
85.99992	0.4
87.00745	10.4
89.02312	34.6
91.03880	0.6
93.03310	0.5
95.01253	2.4
96.96877	0.5
97.02827	7.3
98.03178	0.5
99.00744	1.7
99.04400	0.5
101.02319	33.2
102.02678	0.6
103.00243	0.5
103.03790	0.4
109.02861	0.6
111.00771	0.7
111.04370	0.8
113.02323	15.5
114.02727	0.6
115.03881	0.7
119.03381	10.6
123.04402	0.5
125.02333	12.5
127.03938	0.8
131.03387	1.5
133.04971	1.0
137.02328	0.5
139.03877	1.2
141.01831	0.9
142.02631	0.4
143.03403	5.9
143.42142	0.4
144.70177	0.4
149.04422	1.6
152.99445	0.6
161.04465	7.6
167.03413	0.8
179.05510	6.9
185.04459	0.9
199.06084	0.6
200.10675	0.3
203.05489	0.4
217.07097	1.2
219.05019	0.5
221.06615	2.8
233.22696	0.7
235.08171	14.7
236.08649	1.0
241.01189	0.6
245.06644	0.9
245.27945	0.5
253.09239	4.6
259.20639	0.5
263.07672	1.8
277.21701	100.0
278.22052	10.1
287.07645	3.5
305.08762	3.9
323.09814	2.1
330.68912	0.4
337.91895	0.4
361.11185	0.6
379.12363	1.0
397.13464	82.8
398.09106	0.6
398.13831	6.6
415.14536	38.0
416.15030	2.4
593.27258	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.2675
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66105	1.5
53.08297	1.6
59.01248	21.8
61.98707	9.4
65.92759	1.8
68.95627	2.2
71.01257	10.8
71.08077	2.9
72.37204	1.7
72.99179	2.0
73.02813	4.0
80.04946	6.7
85.02830	4.0
87.00752	2.1
89.02324	5.6
91.04819	1.5
92.16400	1.5
94.02840	4.1
94.06483	4.2
96.95898	16.7
101.02326	4.7
106.06525	2.6
107.03664	4.4
108.04438	4.3
113.02331	4.6
115.00313	2.3
119.03420	2.6
120.08089	2.7
122.06010	27.2
124.03906	4.6
125.02325	1.9
134.06023	6.8
136.03964	4.9
136.05165	2.2
137.04684	2.3
138.05511	7.2
139.02556	2.3
147.05573	3.4
148.03961	2.6
150.05519	11.3
150.06689	2.9
151.07027	1.8
152.07059	43.4
153.07483	2.0
164.06921	2.1
165.09094	5.0
171.10233	4.4
174.05573	3.3
175.02443	2.2
179.05537	6.6
181.04968	2.2
190.05026	2.7
201.10272	14.4
213.10318	7.1
215.12912	16.3
225.10143	1.9
227.11894	8.1
229.09840	15.1
229.13472	6.6
237.10309	4.0
239.09471	1.7
239.11815	7.4
241.09790	3.7
245.12923	13.4
253.09793	2.7
255.11346	8.2
257.12967	6.7
265.09714	2.6
267.11386	4.0
269.12881	2.0
273.12479	5.3
278.10464	2.5
279.11365	4.4
281.09323	3.2
283.10941	2.7
289.12003	4.2
295.10855	5.7
297.12424	3.3
301.12003	21.1
313.11978	7.2
319.13000	63.0
320.13257	3.1
323.10416	8.1
327.13501	3.8
341.11224	2.4
355.12894	5.3
359.12704	2.3
360.13260	1.9
363.06467	1.9
372.13815	2.1
374.15158	9.2
391.15207	5.3
392.16003	10.2
398.14346	2.8
415.14764	2.6
416.16080	6.3
434.17154	4.5
446.17160	3.1
512.36823	4.0
531.25500	2.6
539.23059	3.4
557.23975	19.7
558.24365	2.5
581.24017	10.2
583.21838	2.6
597.23438	2.8
599.25055	79.5
600.25543	13.5
602.23883	4.0
615.25085	2.2
625.23157	3.4
639.24512	2.7
643.24097	100.0
644.24622	17.9
657.25531	4.6
674.38232	6.6
675.26587	29.4
675.37537	6.8
676.26678	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	675.2668
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	8.6
61.98688	3.6
67.05836	2.9
71.50871	4.0
80.04910	8.4
94.02910	3.2
104.04919	6.0
107.03626	3.1
122.06004	21.9
134.05986	4.6
136.03925	3.9
138.05473	3.9
149.76691	2.7
150.05460	8.1
152.07077	34.6
174.05559	3.9
175.04990	4.2
182.57216	3.0
190.04964	5.1
201.10349	12.9
211.08688	3.7
213.10272	6.9
227.11836	7.7
229.09775	20.7
229.13409	5.5
239.11882	8.6
240.21660	3.4
245.12814	11.2
251.11852	5.4
255.11369	10.0
257.12891	9.7
264.09140	3.3
267.11447	4.1
273.12396	5.0
279.11499	6.1
289.11896	4.2
301.11893	24.1
313.11798	6.4
319.12976	81.0
320.13260	7.6
323.10269	9.7
325.11810	3.6
327.13351	6.6
341.11316	5.5
355.12866	3.5
374.15039	11.0
391.15359	3.6
392.16025	8.2
400.12903	3.6
403.14865	3.3
416.16196	5.8
434.17221	6.6
557.24066	17.3
558.24774	5.3
581.24335	7.5
582.24109	3.0
599.24969	76.7
600.25189	12.7
602.23889	3.7
625.23096	7.1
643.24054	100.0
644.24231	22.9
675.26691	34.5
676.27435	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	675.1411
Annotation	Unknow
Peak:m/z	Relative Intensity
59.85148	10.5
68.99685	12.9
69.03323	13.3
71.01245	22.7
72.99197	12.3
79.01734	11.7
83.01208	10.2
85.02829	23.2
93.03336	44.8
95.01319	11.4
96.95900	100.0
96.96860	18.2
97.02828	20.4
98.02371	14.9
98.20592	21.3
99.00758	17.7
99.37643	9.2
101.02305	14.8
107.01275	9.7
109.02834	30.9
111.00812	11.6
113.02316	11.3
117.03365	11.2
121.02847	32.2
123.00791	14.6
123.04439	19.7
124.01452	9.4
125.02326	60.5
127.00255	12.5
135.04494	17.3
137.02322	46.5
139.00258	15.8
139.03822	11.1
141.01830	17.2
149.02315	37.4
151.03870	26.8
153.01833	45.7
155.03427	9.9
159.21024	11.3
161.02306	13.0
163.00272	19.0
165.01866	34.6
166.02711	10.2
166.99884	9.4
167.03378	23.5
169.01353	19.8
177.01807	28.7
178.99800	11.0
179.03398	24.6
181.01324	23.8
181.23663	9.9
191.03398	28.5
193.01355	27.6
195.02898	24.8
199.02330	9.8
199.08687	12.9
203.03430	9.6
205.01390	18.0
207.02959	22.5
207.04861	13.4
209.04460	13.5
219.02875	27.7
221.00905	11.3
223.02441	12.5
231.02969	12.3
233.00986	10.1
235.02298	24.4
242.00475	9.7
257.79391	9.1
261.03857	12.6
263.01981	14.3
265.03546	10.5
292.76495	11.1
325.05573	21.4
341.05692	10.0
343.06519	12.6
353.06226	11.3
383.06409	10.8
396.73068	9.4
479.10504	37.6
655.91608	9.3
675.14380	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	673.3436
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01747	0.9
58.00463	2.7
58.66410	0.8
59.01245	12.2
61.98690	4.5
63.89597	0.8
68.64111	0.8
69.03305	1.2
71.01249	42.7
71.04887	1.4
73.02812	4.3
74.37788	0.8
76.53591	0.7
78.95778	3.0
81.03321	1.8
83.01254	2.0
83.04903	4.0
84.02048	1.4
85.02818	2.5
87.00758	3.0
89.02318	6.1
90.59031	0.8
95.04873	1.5
96.95896	1.9
97.02814	3.1
97.06432	1.2
99.00745	3.5
101.02309	7.9
109.06456	5.6
111.00712	0.9
111.08139	1.0
113.02319	4.6
113.96352	0.9
117.90530	0.8
123.08108	1.1
125.02370	0.8
125.09595	2.6
127.11222	1.0
136.05241	1.3
142.02538	1.1
145.04979	1.2
152.99527	1.8
153.12701	1.0
155.10690	1.4
155.14250	1.4
161.04416	2.8
161.09566	1.2
163.11188	7.1
164.11406	0.9
165.09122	1.0
165.12758	4.4
167.10663	1.2
169.12212	1.0
171.10172	10.0
179.05511	0.9
181.12219	5.0
183.13834	12.0
185.11737	3.0
189.09282	1.2
191.10681	1.4
193.12292	1.3
199.09517	1.1
199.13318	27.5
200.13605	1.4
201.11211	6.4
207.10188	23.3
208.10468	1.3
209.11758	71.0
210.12149	6.1
211.13324	100.0
212.13638	5.8
212.49770	0.8
215.12747	1.6
225.11249	17.7
225.13318	1.2
226.11649	1.2
227.12830	74.8
228.13232	4.6
229.14381	3.3
235.08226	7.2
235.13409	1.2
239.12811	1.0
243.12344	2.5
245.13976	1.5
247.13297	3.3
249.14937	1.0
253.09251	14.2
254.09520	1.1
282.96320	0.9
299.14774	0.9
357.24252	1.2
373.23947	1.6
381.39142	0.9
383.22418	1.6
391.24609	1.7
401.23361	6.8
401.64798	1.0
402.23984	1.1
419.24146	5.2
443.19238	1.0
444.63885	0.9
445.20746	2.0
447.22220	2.5
452.69748	0.9
461.20157	3.8
463.21884	13.5
503.43741	0.8
637.32324	8.6
638.32855	1.3
655.33319	10.1
656.33582	2.5
673.34283	21.1
674.34918	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	673.3438
Annotation	Unknow
Peak:m/z	Relative Intensity
55.49556	0.6
57.03321	0.9
58.00451	0.7
59.01243	9.9
61.98716	1.4
66.76865	0.5
69.03313	0.9
71.01244	7.1
71.50021	0.6
71.50391	0.9
73.02810	3.2
78.95787	0.7
83.01266	1.3
85.02821	2.0
87.00714	1.2
89.02315	3.6
91.47316	0.6
96.95876	0.6
97.06446	1.2
99.90958	0.6
101.02306	5.2
105.13251	0.6
109.06477	2.2
111.08049	1.4
113.02265	2.9
119.03421	1.0
123.70946	0.7
125.02325	0.9
125.09576	0.8
133.04901	1.0
158.75211	0.7
161.04425	1.8
163.11206	2.4
165.12752	9.7
166.13091	0.8
171.10204	1.8
181.12173	0.8
183.13814	100.0
184.14151	5.9
199.09671	5.0
199.13358	1.2
201.11208	0.7
202.46294	0.6
207.10175	5.2
209.11745	7.4
211.13318	28.5
212.13628	1.5
213.65692	0.6
215.12801	1.2
225.11299	4.8
227.12804	9.5
235.08299	3.3
253.09195	5.1
267.14978	0.7
375.21719	0.9
401.23242	1.0
445.20697	3.5
447.22412	1.7
461.20349	1.2
463.21790	5.2
575.25610	0.6
593.29785	1.2
611.30438	0.9
619.31219	1.3
629.35596	4.6
637.32159	2.9
655.33276	6.1
656.33948	1.2
673.34302	65.0
674.34680	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	672.1422
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50888	3.1
53.62625	3.9
60.00896	2.9
65.28109	2.8
69.68099	11.9
69.68508	7.8
77.86888	3.9
81.99345	3.0
88.68855	3.7
91.35548	2.7
98.19897	5.5
109.02835	5.6
130.08649	25.5
133.02835	7.2
172.09703	30.4
177.01906	3.8
227.74098	3.2
298.04874	8.6
311.05533	6.5
312.06470	9.3
313.07135	6.2
327.05066	5.6
339.05170	7.5
341.06757	4.9
354.75638	3.8
369.06079	41.4
370.06723	4.5
399.07199	32.0
400.07385	5.7
429.08362	8.6
489.10443	12.9
519.11395	5.4
609.14606	100.0
609.24188	7.1
610.14795	12.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.3437
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39373	1.3
54.32000	1.5
59.01247	10.8
61.98694	4.4
70.65697	3.7
70.66061	1.7
71.01246	12.0
73.02819	2.4
79.91024	1.7
83.01243	1.8
83.04885	1.8
85.02820	4.0
87.00776	2.5
89.02308	5.7
95.01273	1.6
96.82882	1.3
96.95880	2.7
97.02837	2.5
97.06435	1.6
101.02300	6.6
109.06474	4.5
109.71442	1.4
111.08035	2.3
113.02331	3.4
118.21384	1.4
152.84494	1.3
155.10649	1.4
161.04500	2.7
163.11162	4.5
164.47495	1.5
165.12730	15.2
171.10197	6.2
181.12350	2.0
183.13817	100.0
184.14169	6.9
185.11716	2.2
199.09644	7.8
199.13258	4.4
207.10213	9.3
209.11757	31.2
210.12234	2.0
211.13327	32.7
211.15210	2.7
212.13742	1.8
215.12752	3.0
221.68796	1.7
225.11269	12.1
226.11586	1.7
227.12834	24.3
235.08208	4.7
253.09241	9.2
401.23386	2.2
445.20767	5.2
447.22400	2.5
461.19376	1.9
463.21832	7.7
567.31720	1.6
593.30249	2.6
619.31042	5.2
629.34631	4.6
637.32166	4.9
650.33270	1.5
655.33411	8.9
673.34351	73.8
674.34772	13.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.4011
Annotation	Guineamide D
Peak:m/z	Relative Intensity
51.93047	0.7
59.01256	1.3
61.98698	5.4
64.19010	0.8
71.01242	1.0
71.51656	1.1
90.51343	0.8
121.44679	0.9
139.24771	0.7
149.05959	4.8
150.06772	41.9
151.07124	1.7
163.07576	9.5
164.08311	6.0
176.08322	1.9
178.09872	2.6
179.10695	12.6
180.11076	0.9
190.29091	0.9
217.99533	0.9
265.21747	1.2
303.19760	1.6
325.04971	0.8
327.25342	1.3
329.23529	4.8
348.73849	1.0
391.22418	1.0
400.87695	0.8
430.30893	1.0
447.34467	0.8
448.31839	9.0
449.32501	1.7
462.33514	1.7
463.34250	12.3
464.34338	2.0
490.32938	2.5
491.33716	2.6
508.33844	3.1
509.34790	32.8
510.35284	5.3
597.23004	0.9
671.40076	100.0
672.29474	1.5
672.40454	21.7
677.05988	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.4658
Annotation	1-Palmitoyl-2-linoleoyl-sn-glycero-3-phosphate
Peak:m/z	Relative Intensity
59.01247	3.6
69.62460	5.1
78.95774	81.9
96.96844	7.7
98.20520	0.9
133.73215	0.8
134.98422	1.3
152.99484	56.9
165.42572	0.6
174.99182	0.9
217.00140	1.5
233.93771	0.7
255.23262	100.0
256.23636	8.6
279.23285	32.5
280.23663	2.6
374.99286	1.4
391.22525	29.7
392.22961	3.9
409.23526	12.5
415.22424	5.9
433.23477	1.5
525.09583	0.8
671.46405	14.6
672.47015	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.3646
Annotation	Unknow
Peak:m/z	Relative Intensity
54.06501	0.6
54.40581	0.5
57.03321	0.9
59.01249	9.0
59.95179	0.5
61.98706	5.8
68.31608	0.4
70.53526	0.6
70.78993	0.4
70.79363	1.6
71.01254	4.0
73.02818	1.6
73.22685	0.7
75.00757	0.7
77.43969	0.5
83.01216	0.6
85.02832	1.6
87.00739	1.8
89.02316	2.4
93.67673	0.5
96.95881	1.5
97.06460	1.5
101.02326	2.8
111.04384	0.7
111.07990	0.7
113.02335	1.6
119.03352	0.9
121.06467	1.8
122.03640	0.6
123.08051	1.8
125.02361	0.6
135.04390	1.1
136.05202	28.3
137.05692	0.6
137.09628	0.6
141.09042	0.7
147.08034	1.2
149.05980	5.2
150.03201	0.6
150.06787	3.2
151.07526	0.8
161.04437	1.3
162.06708	1.1
163.07545	1.4
164.08350	2.9
165.09120	24.8
166.09445	1.5
175.02344	0.7
179.06927	0.7
179.10638	0.6
200.17432	0.6
203.03198	0.5
229.10701	1.0
253.09691	0.6
255.11433	0.7
256.18750	0.5
276.34039	0.6
285.04007	1.1
295.10904	0.9
297.04102	0.7
298.04294	0.6
306.18234	1.2
321.08850	0.8
321.20572	3.7
338.03604	0.7
339.10071	1.0
343.21210	5.3
350.20850	3.6
379.24719	0.7
397.82022	0.5
411.06992	1.1
412.07492	2.4
427.28561	3.0
445.29449	2.7
446.30005	0.7
463.30655	7.2
464.31015	1.4
491.30148	2.1
505.36380	0.6
508.30331	1.9
509.31128	23.9
510.31381	3.9
607.89081	0.6
611.34344	1.3
639.20947	0.8
671.36462	100.0
672.26996	0.7
672.36780	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	670.189
Annotation	Unknow
Peak:m/z	Relative Intensity
55.07679	0.9
58.02849	8.2
59.01250	77.9
69.03353	1.3
70.02847	4.9
71.01256	3.9
72.00786	2.3
72.04443	1.2
73.02823	1.7
74.02341	48.9
81.50749	1.0
85.02831	3.6
87.64384	1.0
97.02813	1.4
98.02355	11.4
101.02309	2.2
113.02322	1.6
116.03439	7.9
116.04946	19.3
128.64406	1.0
130.06500	2.4
135.58200	1.2
136.29735	1.0
142.06549	3.7
147.04422	23.6
148.04753	1.3
158.06067	5.2
159.09172	4.5
161.04503	3.1
186.05563	3.4
189.05524	2.3
201.10255	2.3
203.08195	40.3
203.13109	1.1
204.08595	2.4
209.62389	1.1
245.09273	100.0
246.09651	8.4
276.08740	12.8
336.10794	7.0
480.63751	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	671.3651
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63374	0.5
51.18433	0.5
55.66757	0.4
57.03318	1.2
59.01250	6.7
61.98703	3.5
69.33402	3.7
71.01250	3.1
73.02818	1.7
76.27121	0.4
77.14979	0.4
83.01215	0.6
83.04891	0.5
85.02824	1.9
87.00757	1.1
89.02322	1.6
96.95888	0.5
99.04395	1.0
101.02302	2.2
101.69063	0.5
103.68841	0.5
108.02020	0.5
111.04441	0.9
111.08007	0.6
113.02299	1.3
121.06444	0.9
122.03604	1.1
123.04414	0.6
123.08005	1.0
135.04378	0.9
136.05203	31.2
137.05933	1.1
137.09569	1.4
139.85234	0.5
147.08101	0.7
148.05104	0.7
148.70605	0.5
149.05992	5.8
149.09576	0.5
150.06764	5.2
151.07469	0.7
155.10699	0.8
162.06741	1.7
163.07539	1.8
164.08340	3.1
165.09128	26.1
166.09451	1.4
171.10167	0.7
177.09087	0.7
179.07101	0.8
179.10635	1.6
184.10925	0.7
193.08604	0.5
207.10184	0.7
261.18600	1.1
292.16849	1.4
307.19162	3.0
321.20596	0.8
336.19263	1.0
343.21249	6.2
344.21713	0.7
350.20746	0.6
427.28702	1.1
445.29459	1.3
448.28348	0.6
451.30688	0.7
463.30646	10.9
464.31003	1.3
465.31873	0.6
491.29834	3.8
502.21906	0.5
508.30487	3.5
509.31027	28.4
510.31308	3.9
639.47729	0.5
671.36487	100.0
672.36853	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	668.1832
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	45.7
59.27158	1.3
61.98700	100.0
70.19196	1.2
71.01247	21.3
73.02813	21.0
79.62106	1.2
83.01260	8.2
85.02827	2.5
89.02326	3.6
92.98814	1.3
98.19745	1.9
101.02322	29.3
105.01791	1.6
113.02330	10.1
119.03374	4.9
131.03377	2.2
137.74393	1.3
143.03427	2.9
149.04463	4.0
155.05814	1.4
161.04460	7.6
186.69572	1.3
197.10750	1.2
203.05577	1.4
221.06387	2.3
229.23897	1.5
235.07608	2.2
253.08528	2.6
263.07114	6.5
264.07571	1.2
277.56183	1.4
281.08200	13.8
291.06625	3.7
292.07336	2.2
293.08130	3.8
296.10431	3.4
307.09702	1.7
308.10446	3.6
309.07672	51.3
310.07980	3.6
323.09268	11.8
324.10037	29.8
325.10214	3.9
339.12347	95.2
340.12646	10.1
354.76367	1.5
422.53174	1.4
587.06757	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	669.3853
Annotation	Ajugasalicioside F
Peak:m/z	Relative Intensity
57.03298	1.1
59.01246	7.5
61.98693	1.7
64.84772	0.6
71.01253	2.6
71.29682	1.1
73.02821	0.9
78.95770	1.7
83.04892	0.6
85.02824	2.2
87.00760	0.9
89.02306	1.8
99.04364	0.5
101.02334	1.7
111.08062	0.5
113.02334	0.8
113.05975	0.5
115.52393	0.5
119.03397	0.5
121.20635	0.5
135.08054	0.7
136.05179	0.8
143.10773	0.5
149.05977	6.3
150.06760	48.2
151.07401	2.6
155.10689	0.7
157.08566	0.9
161.09547	0.6
162.06822	0.7
163.04060	0.5
163.07547	10.8
164.08316	6.4
169.12206	0.7
171.10085	0.6
176.04797	0.9
176.08325	1.8
177.09068	0.8
178.06212	0.8
178.09958	3.2
179.10701	14.5
180.11017	1.1
191.07158	0.8
193.08633	1.2
202.12102	0.7
211.13535	0.5
225.05777	2.0
247.28047	0.6
279.23160	0.8
281.21271	1.3
325.23895	1.2
327.21722	6.1
328.22202	0.7
428.29364	1.8
443.31326	1.0
444.32230	1.3
446.30301	9.2
447.30820	2.0
460.32053	1.8
461.32697	11.7
462.33154	2.1
468.31363	0.7
488.31104	2.7
489.32199	2.8
490.32239	0.7
506.32510	3.0
507.33197	31.5
508.33646	4.8
549.34332	0.6
669.38538	100.0
670.39172	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	667.3907
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	1.4
55.87144	0.2
57.03330	1.2
58.00467	1.9
59.01247	39.9
60.01577	0.4
61.98704	0.6
68.99681	0.5
69.03319	2.4
71.01250	37.7
71.51467	0.3
72.01579	0.6
72.99171	3.2
73.02816	6.3
74.25635	0.2
75.00741	1.0
80.96389	0.4
81.03321	1.6
83.01252	4.5
83.04900	0.3
85.02814	8.5
85.99982	0.5
87.00743	8.6
87.01281	0.4
87.04356	0.3
89.02312	30.4
90.02674	0.3
91.03896	0.8
93.03340	0.5
95.01267	2.7
97.02820	6.9
99.00757	2.3
99.04411	0.3
101.02318	30.9
102.02662	0.5
103.00214	0.5
108.02071	0.3
109.02813	0.7
111.00790	0.4
111.04393	1.3
113.02324	16.2
115.03898	0.6
119.03379	9.2
121.02798	0.6
123.00761	0.3
124.01538	0.4
125.02335	13.7
126.02680	0.4
127.03857	0.5
129.01866	0.4
131.03378	1.7
133.04965	1.0
137.02319	0.3
139.03923	0.8
141.01857	0.9
143.03395	6.1
149.02380	0.3
149.04463	1.1
161.04449	6.8
162.04816	0.2
162.58769	0.2
164.98557	0.2
167.03383	0.8
169.04973	0.4
171.02943	0.5
171.10184	0.5
171.72133	0.2
179.03886	0.4
179.05511	6.7
185.04556	0.6
199.06032	0.7
203.05582	0.3
206.75589	0.3
217.07141	1.1
219.05083	0.5
221.06583	2.7
235.08174	14.6
236.08534	0.9
245.06580	0.9
251.23616	0.5
253.09239	3.4
259.08179	0.4
263.07684	1.5
269.24832	100.0
270.25180	9.1
277.09299	0.8
283.26392	0.8
287.07727	3.4
299.04321	0.8
305.08740	4.1
306.09387	0.3
323.09616	1.8
361.11386	1.0
379.12415	1.1
397.13452	85.0
398.13788	6.5
415.14526	32.7
416.14786	3.1
555.28186	0.4
667.38727	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	666.3344
Annotation	Unknow
Peak:m/z	Relative Intensity
53.99870	0.2
59.01279	0.2
61.98702	100.0
62.98376	0.2
71.51947	0.3
80.96370	0.2
98.78143	0.2
126.55954	0.2
155.66644	0.2
449.94836	0.2
461.19373	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	666.3342
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31784	0.2
53.64293	0.2
61.98697	100.0
68.36335	0.3
69.64322	0.6
69.64731	1.3
80.75630	0.2
90.39700	0.2
133.29659	0.3
143.42365	0.2
488.99463	0.3
598.53729	0.3
671.00006	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.3184
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	1.6
57.03319	1.7
58.00462	1.8
59.01248	53.4
60.01548	1.6
61.98706	18.8
63.25317	1.6
69.03320	3.5
69.45351	11.1
71.01256	35.5
72.99181	5.0
73.02817	9.5
75.00752	1.5
76.64088	1.4
78.95785	2.9
80.96387	1.6
83.00782	1.4
83.01262	5.3
85.02824	15.2
87.00748	17.5
87.47686	1.3
88.98669	4.8
89.02311	18.3
92.06527	1.4
95.01288	2.1
96.95881	1.6
97.02834	2.1
99.00745	4.1
101.02313	21.0
109.50211	1.3
111.00742	1.9
113.02331	11.3
117.01819	2.8
119.03355	5.8
124.01552	2.1
125.02315	6.0
130.99794	1.4
132.27475	1.8
137.50967	1.3
143.03426	1.9
143.04498	1.5
143.61131	1.4
161.04459	20.3
179.05540	49.3
180.05882	1.7
181.59682	1.6
209.11771	30.5
210.12007	2.1
211.20494	1.5
221.06581	4.6
227.53883	1.4
235.08176	3.6
257.21179	22.9
258.21521	2.3
271.23041	1.3
397.13431	37.0
398.13721	2.7
401.25433	21.8
415.14340	8.3
419.26474	60.5
420.26855	4.6
461.27557	100.0
462.27740	10.2
662.04224	1.6
667.39331	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	666.1673
Annotation	Unknow
Peak:m/z	Relative Intensity
63.75619	4.0
71.27018	9.5
75.12686	4.0
86.65628	4.0
97.02819	7.1
109.02847	7.5
117.71459	4.8
121.02861	7.9
133.02846	9.4
135.04381	5.3
137.02321	5.5
139.37878	3.8
149.02374	7.6
151.03854	7.3
152.53172	4.1
161.02344	5.8
163.03835	6.8
167.03398	8.2
173.04312	4.6
175.03865	7.1
175.07993	4.4
177.01866	6.0
179.03423	10.3
189.01852	7.0
190.05009	6.0
193.01323	4.7
203.03426	5.1
205.01416	5.3
205.03661	7.5
207.03027	4.9
209.04486	13.2
235.02403	9.1
263.05414	4.7
298.04797	5.6
299.05664	5.7
311.05576	9.8
312.06461	11.6
314.04434	7.6
327.05069	24.3
339.05188	9.8
341.06219	6.1
343.04645	10.9
353.06519	6.5
355.04596	14.9
357.06296	5.2
364.56775	5.9
366.05954	6.6
368.05731	5.5
368.09772	24.5
369.05911	14.5
371.07620	5.2
381.05807	8.2
385.05823	8.5
399.07413	13.6
402.36115	5.5
408.07318	17.0
411.07199	6.8
420.07169	5.5
426.08093	16.3
429.07846	7.5
438.08252	14.6
456.09207	16.7
475.08664	18.0
486.10272	7.2
488.14288	8.3
528.11584	26.5
546.12561	57.9
558.12347	9.3
576.13550	6.5
608.13489	12.3
609.14282	8.8
632.13116	5.1
632.23224	5.4
648.15717	41.3
649.15668	7.7
666.16644	100.0
667.16748	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	666.2401
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53804	1.7
58.02848	13.7
70.02866	4.5
70.81216	6.4
72.00744	2.6
79.68246	1.9
91.05415	2.6
140.78123	1.9
147.04428	28.2
156.22333	2.5
164.07076	64.1
165.07472	2.2
206.08160	100.0
207.08524	4.7
349.19653	2.5
462.83759	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	666.2895
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	2.4
61.98690	2.3
70.89809	0.6
70.90131	1.0
71.01244	1.3
72.99180	0.9
75.00761	0.7
78.95774	100.0
83.01254	0.8
85.02808	1.5
87.00754	1.3
96.96840	6.3
99.00756	1.9
101.02322	1.2
111.00773	0.8
113.99493	0.9
115.00251	1.2
117.01842	0.6
135.02882	1.1
152.99486	23.7
156.00540	3.2
161.04361	0.6
171.00545	21.7
174.01636	7.0
175.02388	0.8
179.05666	0.5
191.01900	0.8
193.44339	0.5
201.51239	0.5
214.04745	1.0
345.38525	0.5
367.72205	0.5
418.23532	1.1
422.23148	0.9
440.24338	1.5
458.25467	1.2
476.26398	1.2
490.25974	2.0
492.27289	30.7
493.27536	4.2
530.25256	5.9
531.25720	0.8
548.26300	5.8
562.28162	0.8
568.26831	2.1
569.26929	0.7
570.25183	1.0
586.27972	4.0
587.28564	1.1
594.24744	1.5
604.28601	3.0
606.27057	1.8
612.26074	2.1
630.26758	5.8
631.27496	1.7
648.27777	10.3
648.37958	0.7
649.28467	2.2
666.28882	16.1
667.28296	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	666.1673
Annotation	Unknow
Peak:m/z	Relative Intensity
55.07023	6.4
56.42345	6.6
60.99167	7.3
61.42178	6.8
62.60856	7.2
69.60945	31.0
69.61361	18.0
71.01260	11.0
73.47625	6.2
78.54085	7.1
83.01223	8.7
83.15713	7.5
85.02842	8.0
87.00764	18.0
88.00275	9.7
88.98688	46.2
89.02348	10.1
95.87630	7.3
98.20553	10.2
109.02875	16.0
121.02824	14.5
123.04428	7.2
125.02351	17.5
133.02821	8.8
135.04405	9.8
137.02348	23.9
149.02319	9.5
153.01814	18.9
157.13200	7.0
163.00301	11.5
163.03941	10.8
165.01872	11.9
165.05495	8.2
167.03348	14.4
177.01869	11.6
179.03421	20.2
191.03394	16.4
193.01364	10.6
195.02948	9.1
205.01385	9.0
207.02928	9.6
209.04474	20.3
219.02945	19.4
235.02388	20.4
239.05522	8.6
249.03864	14.9
265.03494	10.7
297.03784	10.7
313.03262	8.3
325.03354	15.8
343.04529	21.2
354.06293	8.3
383.06311	15.1
384.19687	8.7
392.00052	7.5
426.08368	13.8
489.09930	10.5
528.11670	11.8
546.12457	38.7
648.15521	19.4
666.17035	100.0
667.16992	21.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.1468
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98695	4.5
66.24006	2.0
71.50912	2.3
96.95894	3.3
109.02834	3.1
133.02847	13.1
161.02242	2.9
163.00261	4.4
175.00331	2.5
175.03908	2.6
177.01761	2.4
199.03949	1.9
201.01805	2.7
217.04948	2.4
233.04512	5.4
245.00893	2.4
257.04553	9.0
263.88516	2.0
275.05597	7.7
284.03275	2.9
285.04037	57.4
286.04303	3.8
291.02078	1.9
297.04016	26.9
298.04630	5.4
299.05435	8.0
301.03540	25.6
309.03989	17.8
310.04532	1.8
311.05603	6.9
315.75555	2.1
325.03546	3.4
327.05029	37.5
328.05304	3.9
337.03424	8.5
338.03922	2.8
339.04852	3.0
341.10217	2.4
351.11484	2.2
393.06146	2.8
411.07153	100.0
412.07635	16.0
575.14093	27.5
576.14203	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	665.2447
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01748	1.0
58.00463	4.8
58.37486	1.0
59.01247	84.9
69.03324	1.0
69.86736	1.0
71.01247	36.4
72.99191	5.2
73.02399	1.7
73.02810	35.5
83.01275	1.7
85.02819	16.0
85.99956	1.6
86.01189	0.9
87.00751	15.4
87.04391	3.8
88.00282	1.2
89.01759	1.9
89.02312	30.6
93.44975	1.2
97.02847	1.6
99.04415	1.1
101.02318	68.5
103.03877	34.8
104.04228	1.3
107.94985	0.9
108.75330	1.0
113.02293	2.5
115.03868	5.4
116.68807	1.0
117.56192	0.9
119.03394	14.2
121.14956	1.0
125.02325	2.4
127.03904	4.6
128.02374	1.1
131.03409	10.3
143.03378	11.4
145.02872	5.0
145.04945	8.6
162.82146	1.0
163.06018	89.0
164.06360	2.0
191.08604	1.4
196.31679	1.0
205.07092	29.5
207.08087	2.7
217.06462	1.4
219.08145	1.3
220.05194	1.0
221.05891	2.0
223.07610	1.0
233.06042	1.3
235.07735	6.7
237.09166	2.7
239.07156	1.7
247.07613	1.7
251.07114	1.6
253.05142	1.7
253.08676	6.2
262.06412	1.6
263.07068	17.2
264.07654	3.5
265.08942	4.5
274.06134	1.2
275.07043	3.3
276.07883	1.3
279.06717	1.3
280.07388	3.5
281.08163	32.4
282.08499	3.8
291.06567	9.1
292.07419	3.2
293.08200	7.4
294.08865	3.9
295.06229	1.2
295.09714	1.9
296.10446	5.9
307.09665	1.3
308.07254	2.4
308.10513	6.3
309.07678	100.0
310.07971	10.8
323.09222	13.8
324.09985	42.6
325.10385	3.7
339.12347	98.3
340.12708	8.9
415.10297	4.1
460.34424	1.1
532.39001	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	664.3179
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64235	0.2
50.86759	0.2
52.86447	0.2
59.01222	0.2
61.98700	100.0
62.98413	0.3
65.00231	0.2
70.45550	0.2
71.01231	0.2
71.49992	0.2
71.50491	0.3
85.02824	0.2
86.19032	0.2
110.55853	0.2
304.07538	0.2
467.02026	0.2
579.27039	0.3
617.46967	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	664.3185
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73059	0.5
56.05753	0.4
61.98701	100.0
71.51585	0.8
71.52006	0.7
71.89786	0.5
109.46749	0.5
210.31116	0.5
680.71967	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	664.4066
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98700	100.0
69.36409	0.5
71.51109	0.8
72.14490	0.4
77.66818	0.5
119.98186	0.5
132.08205	0.5
149.89423	0.5
245.80946	0.5
309.20786	1.1
320.64212	0.5
320.68127	0.6
583.32220	1.0
621.64349	0.6
661.09491	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.1469
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37099	1.0
52.36149	1.1
59.01252	1.4
60.42032	1.1
61.98708	5.1
64.87247	1.2
71.50606	1.7
86.43257	1.2
95.54754	1.2
96.95930	1.7
106.43518	1.3
109.02849	4.2
133.02831	10.0
161.02388	1.7
163.00264	2.5
163.03854	1.4
175.03911	2.9
177.01857	1.8
193.01266	1.7
199.03908	2.1
201.01813	2.2
202.99773	2.0
214.50240	1.2
218.69868	1.1
218.99283	1.8
233.04488	2.6
255.06726	1.4
257.04489	10.0
265.04840	1.3
275.05481	6.9
284.03232	2.8
285.04001	50.8
286.04364	3.9
297.04028	25.7
298.04691	6.9
299.05487	8.2
301.03497	27.9
301.10791	2.3
302.03873	2.0
309.04001	20.1
310.04318	1.7
311.05472	8.3
324.02490	1.5
325.03491	3.7
327.05066	37.0
328.05420	3.9
337.03491	10.9
339.04980	2.5
351.05048	1.9
393.06262	2.9
411.07187	100.0
412.07471	12.1
424.03018	1.4
424.08881	1.4
473.10812	5.1
575.14001	34.7
576.13916	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	662.2299
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	2.9
58.00465	2.6
59.01245	47.5
61.98704	1.7
62.66322	2.2
69.03313	4.2
70.99509	2.2
71.01250	80.9
71.49891	1.8
71.50288	2.4
71.62283	1.9
72.01595	1.9
72.99175	4.2
73.02816	40.4
74.50817	2.3
81.03321	2.1
82.83327	2.0
83.01265	9.3
85.02826	39.2
87.00766	11.3
89.02319	39.1
95.01250	6.2
96.95905	2.5
97.02815	9.3
98.29575	1.9
99.00760	11.7
101.02321	100.0
103.03915	2.9
105.23695	2.1
109.02850	2.2
113.02333	31.6
119.03391	16.9
125.01463	3.1
125.02324	36.6
127.03889	3.8
129.01831	2.4
131.03444	12.5
143.03403	10.7
143.04306	1.9
145.04968	43.7
146.05215	2.6
159.02872	4.2
161.04465	56.2
175.02357	2.5
175.03893	5.5
179.05531	64.3
180.05783	2.8
189.05530	3.5
205.03484	2.4
221.06644	23.2
247.08192	33.5
265.09097	3.8
289.09024	2.7
307.10358	10.3
322.63379	2.5
325.11356	4.4
341.78741	2.6
367.12454	18.4
397.13589	3.1
409.13446	23.7
410.14014	2.4
440.15445	5.9
469.15610	78.9
470.15942	10.3
501.90930	2.1
546.53357	1.9
575.18958	2.0
602.20868	97.8
603.21143	15.1
628.33698	2.0
644.13855	2.4
662.13074	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	661.3439
Annotation	Unknow
Peak:m/z	Relative Intensity
56.06107	2.2
56.49104	2.2
58.00480	3.1
59.01245	46.9
59.11875	2.2
59.19233	2.3
61.98697	4.5
68.15836	2.4
70.64617	6.5
70.64960	2.6
71.01250	47.6
78.95761	6.6
80.96385	2.6
83.01226	4.6
85.02811	10.1
87.00767	13.6
89.02305	44.1
93.52330	2.7
95.01189	3.0
98.81932	2.9
99.07457	2.2
101.02314	25.7
113.02312	16.8
119.03371	20.1
143.03381	7.6
161.04436	6.6
179.05521	23.7
185.11630	2.1
209.52986	2.4
247.27885	2.9
277.21713	100.0
278.22028	10.0
291.23328	5.4
301.21829	3.2
319.22614	3.3
323.09793	25.8
341.10883	58.9
342.11050	5.4
452.90521	2.8
577.26813	11.7
601.31958	11.6
664.11444	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	661.3441
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14721	6.4
57.03330	6.1
59.01253	32.4
61.98703	34.1
62.62778	5.5
70.57990	13.6
71.01245	40.5
73.02803	10.6
78.95760	11.3
83.01264	10.2
85.02833	9.2
87.00751	57.3
89.02308	28.8
99.50389	6.6
101.02322	38.7
113.02328	34.2
115.10783	5.5
119.03387	10.2
143.03427	13.8
161.04462	9.0
179.05548	14.5
220.36349	6.2
277.21707	100.0
278.22061	9.7
291.23242	21.9
319.22803	12.1
323.09805	31.5
327.20978	7.0
341.10776	76.8
353.14459	6.6
367.13525	9.7
404.85040	7.6
577.26904	18.9
601.32001	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	661.2035
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03300	0.3
59.01245	4.6
66.61887	0.3
71.01248	3.5
71.49178	0.5
72.77364	0.3
73.02817	0.9
75.00738	0.3
78.95779	0.7
79.95591	2.0
80.85271	0.3
83.01257	0.6
85.02817	1.6
87.00748	0.5
87.62601	0.3
89.02328	0.8
96.95883	100.0
99.00700	0.4
101.02303	2.7
107.31438	0.4
109.69276	0.3
113.02338	1.5
113.92517	0.4
114.93312	1.0
119.79061	0.3
125.02378	0.4
125.87141	0.3
141.01573	0.7
143.03346	0.5
161.04468	1.4
170.99667	0.4
174.95932	0.3
243.85541	0.4
260.13379	0.4
263.48718	0.3
315.18103	0.9
369.41199	0.4
385.11813	0.4
413.14917	0.4
459.22290	1.2
477.23627	3.6
478.23599	0.4
519.24445	8.3
520.25134	1.0
575.20264	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	661.2511
Annotation	Unknow
Peak:m/z	Relative Intensity
54.26082	1.9
54.27897	1.7
59.01252	18.1
71.01255	6.0
77.39256	1.7
85.02834	3.6
89.02292	5.7
96.95897	3.3
101.02311	5.3
106.06498	12.0
108.07984	2.4
109.02815	2.2
111.04424	3.2
115.00272	2.8
119.03342	3.0
120.08037	2.8
122.06019	5.2
132.04442	6.1
132.08055	4.5
134.05971	2.3
136.07571	1.8
137.02330	17.6
144.04468	3.2
146.06003	2.2
151.00278	6.2
151.03902	3.1
152.07089	7.5
160.07574	5.4
162.05518	2.9
164.00993	2.5
165.01834	92.1
166.02602	13.2
167.03194	2.1
175.02371	8.6
175.03841	2.5
176.07022	3.0
177.01744	2.2
177.05458	3.1
178.05141	2.1
179.03430	16.5
180.04201	41.0
180.24887	1.8
181.04967	15.8
187.03923	6.2
191.03450	1.8
194.05736	2.5
195.02823	3.0
195.06552	53.4
196.06894	4.2
201.10172	3.2
202.06248	2.7
205.05002	5.6
210.05247	8.1
211.12212	3.4
213.10187	3.9
214.10887	3.3
215.11795	17.6
220.07336	4.6
223.08728	4.5
225.07628	40.9
225.09944	2.3
226.07858	3.0
226.11078	2.5
227.11807	24.5
229.09889	6.8
229.13318	10.5
237.10420	2.8
238.11057	23.3
239.11694	4.1
251.11856	6.2
253.13434	45.3
254.13596	2.8
255.11176	2.5
257.10437	3.6
257.12927	43.6
258.13330	3.5
269.13025	7.7
279.11337	2.5
294.74741	1.9
297.12445	4.5
301.11908	12.1
308.30295	1.9
313.11978	6.3
315.13446	12.5
319.12909	13.7
341.11411	14.7
357.10416	2.7
359.11545	3.1
372.11990	2.8
386.13486	2.4
387.14481	24.5
388.14761	3.8
394.17767	3.5
405.16449	3.1
417.15564	18.8
436.18814	13.5
439.94901	2.2
454.19678	6.3
555.26196	2.3
557.23773	7.4
558.24384	2.3
565.21179	2.9
581.23828	2.9
582.23938	2.1
595.21643	31.5
596.22070	6.2
599.24921	30.9
600.25531	7.7
617.26123	100.0
618.26501	21.1
643.23975	6.9
661.34808	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	659.3202
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67382	2.8
59.01247	15.7
61.98702	100.0
71.01253	7.1
71.01638	2.8
71.50298	4.0
74.16493	2.6
77.32998	3.1
78.95780	28.8
80.96381	7.8
96.96829	4.0
111.71608	2.9
152.99510	19.4
164.89412	2.7
171.00543	8.8
171.10179	3.3
180.61221	3.0
211.13220	4.3
216.21146	3.4
222.60295	2.9
286.15793	3.6
363.12064	3.8
392.02908	3.8
488.98441	3.4
577.26935	11.8
623.34253	5.1
659.34564	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	659.4317
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67062	0.5
56.88170	0.4
59.01248	100.0
60.01580	0.8
61.98689	1.0
71.50830	0.6
73.33794	0.5
78.95782	1.2
90.39617	0.5
152.99490	0.7
190.19823	0.5
282.01212	0.6
541.37299	0.5
615.36096	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	660.3234
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98700	100.0
65.31273	0.2
78.95769	0.4
83.72426	0.2
98.20570	0.5
123.89745	0.2
141.58701	0.2
142.73837	0.2
171.10246	0.3
174.01627	1.2
177.75256	0.2
311.22421	0.6
474.52603	0.2
537.31189	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	660.3232
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98698	100.0
64.89880	0.2
70.49297	0.4
70.49662	0.4
73.38499	0.2
78.95786	0.7
85.92801	0.2
100.68169	0.2
108.12986	0.2
118.28300	0.2
155.18080	0.2
174.01651	0.4
178.19203	0.2
239.94414	0.2
245.41389	0.2
382.78885	0.2
383.64343	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.2724
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	16.5
61.98703	19.7
70.73725	4.3
70.74045	3.9
71.01229	7.2
71.04903	3.6
71.71693	2.9
72.99169	3.2
73.02815	2.7
75.00758	3.0
78.95776	4.4
79.95586	10.0
80.96381	19.0
84.04402	2.6
85.06460	5.1
96.95892	3.9
101.02334	5.0
104.04347	2.8
116.92731	9.0
120.04439	3.0
120.08037	5.7
122.05984	25.5
125.02259	3.1
128.61920	2.6
134.06020	6.0
135.04376	3.5
140.07077	21.0
144.04407	4.4
146.06023	6.3
148.07561	25.2
150.05457	6.5
151.00223	3.6
152.37721	2.7
159.02989	2.7
160.03917	3.8
162.05551	3.1
171.10135	4.6
172.03931	5.0
173.07124	45.8
174.05519	6.2
174.07527	3.7
176.07114	3.3
177.26772	2.6
190.04965	3.1
202.05080	3.5
203.11755	8.5
204.06575	3.3
209.11768	9.9
211.13361	34.8
212.13705	7.1
225.00708	4.9
229.09651	3.7
230.04538	3.9
234.15791	2.9
238.11107	3.2
240.08893	5.3
241.09676	2.9
251.11868	4.1
253.09738	8.5
253.13411	11.3
254.11940	3.2
255.11372	7.6
259.14642	4.2
267.07684	11.8
267.11279	3.4
268.11816	2.7
269.12943	7.5
279.07730	6.3
279.11270	9.1
280.08694	4.0
281.09265	11.1
282.10172	13.3
285.12329	5.6
287.14050	16.0
290.06842	5.3
293.09262	4.6
295.10870	30.0
297.12436	90.1
298.12720	9.6
314.09140	7.7
323.06451	4.4
323.10327	80.1
324.10568	9.5
341.11343	10.7
349.08261	6.0
355.12927	7.5
367.09293	35.1
399.11990	24.7
414.79373	2.9
447.21921	5.8
471.15259	26.2
491.20868	4.6
537.24603	7.5
547.23254	14.4
565.24780	17.3
566.24542	3.0
583.25903	17.5
591.22406	10.6
609.23541	18.5
610.22607	3.1
623.25085	10.7
627.24561	100.0
628.24866	25.3
641.25464	12.2
641.35071	3.8
659.26862	92.1
659.36145	5.5
660.27399	21.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.2724
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53853	1.8
51.59969	1.8
56.68971	1.7
59.01249	30.8
61.76506	1.6
61.98704	61.9
70.07210	8.0
71.01265	16.7
71.20184	1.9
72.99180	4.1
73.02808	7.5
73.36588	2.2
74.98946	2.1
75.00722	2.8
78.95768	10.9
83.04893	2.8
85.02839	5.3
87.00780	4.0
89.02305	11.2
91.43452	2.0
91.82988	2.2
94.06494	16.0
96.95907	9.2
96.96861	3.9
101.02328	10.3
106.06496	8.8
113.02335	4.7
114.91308	2.0
118.06494	11.2
119.03365	3.7
120.08109	9.4
120.99561	2.2
122.05996	2.7
123.08051	1.8
124.07569	12.2
125.02310	3.2
127.03905	4.1
136.07539	6.0
139.07541	2.8
150.07947	2.1
152.99474	11.2
160.03920	3.9
161.04558	2.7
163.07561	4.1
168.06595	4.4
171.10181	7.1
175.02405	5.2
190.05002	6.9
193.12128	3.0
209.11740	5.5
223.00085	2.5
223.08798	2.1
224.09521	2.7
225.14844	4.5
239.11877	6.7
241.01151	5.7
241.09886	3.4
253.09541	3.4
255.07854	1.9
257.12875	5.2
266.06940	2.7
267.07730	6.0
267.11429	2.3
268.08475	1.9
269.12930	6.1
271.14413	3.8
277.09610	2.3
279.07642	3.4
280.08508	4.0
281.09341	10.0
283.10858	18.7
287.10660	2.7
287.13843	2.5
293.09351	5.7
295.10913	14.2
296.11392	3.2
297.12292	2.6
307.10950	2.0
309.08884	2.7
311.10522	2.5
327.13571	5.3
334.80609	2.0
343.24673	5.4
345.64236	2.4
351.72946	2.1
388.16470	2.7
413.25345	2.5
418.17776	7.3
420.19476	13.5
446.17410	3.3
464.18298	3.9
471.58105	2.0
478.19791	3.7
496.20844	26.7
522.18677	7.6
565.24432	12.0
566.25250	2.3
566.33118	24.5
567.33838	4.4
583.25433	3.8
599.30603	4.5
609.23431	15.1
610.23895	3.1
617.32117	3.5
623.24994	5.4
627.24231	4.4
629.26331	7.3
641.26147	100.0
642.26288	22.6
659.27557	51.0
659.38446	3.8
660.27557	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	659.2723
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06529	2.4
57.03308	4.1
58.88379	2.3
59.01250	15.2
61.98683	12.0
68.99693	3.2
70.06908	10.9
71.01221	7.6
73.02781	3.4
74.02320	4.5
78.95748	6.6
79.95602	5.3
80.96375	14.0
85.02817	4.4
88.98664	4.4
89.02309	2.6
90.99367	2.8
94.97928	4.1
96.95863	10.5
101.02287	3.9
106.06487	7.2
108.00738	2.8
108.08067	4.5
113.02297	3.3
114.05489	4.4
115.00246	5.2
116.92730	8.0
120.04458	2.7
120.08025	4.0
122.05974	10.2
128.03387	7.5
134.06013	48.4
136.07544	4.6
143.04469	8.9
145.05104	3.1
146.05988	3.2
148.07581	12.9
149.04639	3.0
152.99521	3.2
160.03926	6.5
160.07552	6.1
161.04604	6.1
162.05457	8.3
165.05612	2.9
169.12128	3.7
171.10054	7.7
173.07133	3.4
174.05537	6.3
175.02379	9.9
176.07051	4.9
176.10704	24.3
183.13861	3.5
185.11694	3.4
188.03587	3.2
188.07040	7.2
190.08617	3.6
191.11806	6.0
199.13361	4.4
200.07018	7.8
201.04092	3.0
202.01326	3.1
202.04897	4.0
209.11685	8.2
211.13371	22.4
213.14925	4.0
215.04451	4.0
216.06531	7.0
217.09766	5.5
220.06038	7.1
225.00659	6.6
227.08212	6.0
227.11809	5.4
229.06111	5.3
229.09760	3.8
229.13481	15.2
230.04517	19.3
230.06471	4.4
232.05980	4.3
239.11829	5.2
241.06042	3.6
241.09738	10.6
241.13173	2.9
243.07642	5.3
244.06152	42.3
245.06963	14.9
246.07678	27.0
251.08095	3.8
251.65240	2.6
253.09573	9.0
254.10410	3.5
255.07687	3.4
255.11235	8.0
255.14919	3.7
256.12027	4.8
257.05530	11.8
257.08966	2.9
257.12888	6.3
258.06290	4.9
259.07224	25.2
261.08789	25.4
262.08951	3.5
265.05991	3.6
265.09827	4.0
267.11563	5.0
267.14859	4.4
268.12036	5.0
269.09180	4.9
269.12778	10.4
271.07050	4.5
271.14410	9.1
279.07639	8.5
280.08478	3.1
283.10797	7.4
285.12228	3.7
287.10126	4.0
288.05087	18.1
289.05365	3.0
293.09103	10.3
294.09952	11.3
295.10724	3.6
297.08771	8.7
300.14850	3.4
304.06750	3.9
305.07776	17.8
306.07761	13.1
307.07791	7.2
311.10236	6.0
313.08405	3.5
313.11810	3.1
315.09933	25.1
323.17630	17.3
336.17114	4.8
337.10391	4.7
338.18555	8.7
343.12909	4.9
359.08597	4.2
387.11810	11.7
389.13339	5.5
471.15225	18.5
511.19461	8.5
565.24390	8.7
583.25568	43.7
584.25513	9.2
609.23383	6.0
615.27716	2.9
627.24689	40.3
628.24799	9.0
641.26123	4.5
659.26862	100.0
660.27478	18.2
662.62268	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	659.1471
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01729	15.6
58.02029	16.7
59.01251	38.0
64.46943	13.1
65.00198	15.4
65.03835	19.2
65.19469	13.5
67.84996	16.8
68.99698	38.5
69.03316	25.5
69.26753	43.1
69.27174	100.0
71.01257	53.8
72.99200	27.8
79.01783	26.1
80.96355	22.0
81.03386	17.9
83.01259	42.1
83.04881	14.2
85.02836	42.9
87.00747	26.2
89.02315	16.8
93.03320	32.3
95.01312	33.4
96.95899	39.5
97.02840	43.4
101.02319	27.2
107.01275	43.9
107.04865	17.8
109.02831	48.3
111.00778	46.1
111.04393	24.1
113.02327	27.7
117.91667	14.0
119.04944	38.5
121.02837	62.7
123.00759	42.2
123.04420	33.4
125.02379	76.5
127.00265	42.7
130.08641	23.0
133.02826	20.1
135.04424	45.7
137.02338	55.2
139.00294	39.1
139.03925	41.0
141.01840	19.6
145.02876	21.2
149.02330	65.4
151.00266	34.7
151.03935	47.9
153.01863	83.1
161.02364	35.5
163.03918	30.6
165.01830	68.8
166.02596	16.8
167.03412	49.7
169.01364	18.7
175.03923	29.6
177.01836	35.6
178.99788	46.2
179.03444	35.4
181.01360	35.0
187.03862	21.5
191.03430	39.1
192.00552	17.6
193.01367	42.8
195.02917	47.9
203.03400	32.6
203.85216	16.1
205.01387	32.6
207.02922	49.0
209.00909	28.6
217.01375	21.1
219.02910	31.8
223.02463	24.7
225.00615	16.7
235.02367	21.0
257.69281	17.2
265.03693	18.2
301.05634	39.2
325.05710	29.5
327.94519	18.0
341.05276	21.9
343.06384	16.6
479.10330	58.6
609.15820	18.8
659.16870	58.4
660.15686	22.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.1471
Annotation	Unknow
Peak:m/z	Relative Intensity
56.15351	12.2
58.00708	10.9
59.01258	27.6
69.34275	26.0
69.34683	83.2
71.01254	22.1
81.03335	22.8
83.01251	15.5
97.02861	15.5
99.04411	14.8
99.89315	12.4
107.01293	13.6
109.02848	26.5
121.02859	22.8
125.02328	36.1
126.55527	11.6
133.02881	20.6
135.04390	25.7
137.02315	40.8
139.04033	12.6
145.02840	16.7
147.04417	14.7
149.02309	25.9
151.03880	29.2
153.01820	20.5
161.02412	12.3
163.00345	12.0
163.03960	22.0
165.01871	30.5
167.03409	49.0
177.01860	39.2
179.03397	39.4
181.01216	17.8
189.01831	14.1
190.99747	13.4
191.03426	40.5
193.01344	40.0
195.02879	32.0
203.40009	12.8
205.01419	24.6
207.02940	43.5
207.04799	16.0
209.04524	41.2
219.02893	54.8
223.02518	19.2
231.03011	16.2
233.04504	17.2
235.02446	75.2
247.02408	24.6
249.03886	15.2
265.03519	21.2
277.03625	16.5
283.05905	15.7
301.07095	17.4
313.07169	26.7
315.04776	14.9
325.05524	14.7
339.05017	14.1
343.07025	14.9
351.70291	14.5
353.03308	14.7
355.04480	20.5
357.06210	37.5
369.06189	46.4
383.06207	38.5
387.07364	28.4
399.07196	30.8
401.04977	15.2
451.08588	17.2
475.08743	18.3
477.10156	16.9
487.10892	25.3
505.10443	24.2
521.09204	31.2
539.10437	22.3
608.13550	27.7
609.14685	76.1
625.14148	42.5
626.14374	17.5
641.13892	24.2
659.14404	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	659.1287
Annotation	Unknow
Peak:m/z	Relative Intensity
57.48307	0.3
61.51667	0.2
62.99122	0.3
71.43335	0.6
79.95612	3.2
91.97370	0.3
96.95891	100.0
97.95815	0.4
125.80508	0.3
131.40411	0.3
267.06604	1.2
295.06119	1.8
296.06552	0.3
304.53412	0.3
309.00763	0.4
325.07339	0.4
351.01917	0.4
393.02792	0.9
561.16125	1.8
562.16077	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.1461
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46555	12.3
55.59792	12.3
59.01236	18.0
67.78073	11.4
71.01262	12.7
77.93896	11.4
81.03291	13.8
83.01217	20.7
85.02813	19.8
93.03325	40.1
95.01250	21.2
95.04862	13.7
97.02839	28.6
101.02364	13.2
107.01248	25.2
107.04924	11.8
108.02048	15.8
109.02820	41.5
111.00745	23.1
121.02841	39.6
123.00751	22.3
123.04440	29.0
125.02341	70.1
129.86041	12.1
133.02873	13.7
135.00763	18.4
135.04379	17.4
136.01530	15.8
137.02338	58.7
137.05956	10.7
139.03889	32.7
141.01927	13.7
149.02321	36.5
151.00241	20.8
151.03867	26.8
153.01851	83.3
159.04381	14.0
161.02303	32.7
163.00255	16.8
163.03867	26.8
164.01204	14.5
165.01802	37.1
167.03384	29.7
175.03867	25.2
177.01851	25.6
178.02534	12.2
178.99666	20.5
179.03375	30.2
180.00751	12.3
181.01352	19.5
189.01923	17.4
191.03378	22.4
193.01335	32.8
195.02927	34.6
203.03441	15.6
205.01370	19.8
207.02896	38.8
207.05025	23.4
209.04399	24.9
219.02943	34.4
221.00858	22.2
222.01524	11.7
223.02422	22.4
235.02408	38.9
237.04028	16.9
243.03036	13.8
251.02002	22.6
261.03925	13.0
269.04343	21.6
277.03464	14.0
279.05072	12.6
283.06207	12.1
299.43872	13.2
301.03455	15.5
303.07175	25.9
327.05057	19.7
331.03961	14.6
367.06677	13.7
371.06302	13.6
383.06186	17.4
386.08994	13.0
451.09012	15.5
463.09479	21.4
465.12482	17.0
491.10342	37.4
505.10126	25.2
521.09320	18.1
531.16101	14.6
539.10529	44.0
609.14874	22.5
625.14166	28.5
641.14111	27.3
659.14490	100.0
659.26306	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	657.3856
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	0.9
59.01239	8.2
59.64212	0.5
61.98691	6.7
71.01257	5.0
71.19040	1.4
72.99139	1.4
75.00752	0.9
75.66324	0.6
80.96374	0.7
83.01254	1.2
85.02814	3.3
87.00748	1.2
89.02327	2.2
96.95889	2.0
101.02319	2.3
106.06468	1.1
111.00768	1.6
113.02328	1.4
113.05967	0.7
119.03414	0.8
121.02776	1.0
122.03608	0.9
123.04420	1.2
127.11240	0.7
128.03453	0.7
129.01802	0.6
129.05661	0.7
134.06013	0.9
135.04448	3.1
135.08072	0.7
135.73015	0.6
136.05194	33.8
136.07507	1.7
137.05672	1.3
139.03905	1.5
143.03348	0.7
143.10599	1.1
145.02901	0.8
149.05975	11.6
150.06770	19.8
151.02519	14.5
151.07368	1.0
161.04437	0.9
162.06763	1.8
163.07591	3.6
164.08327	6.3
165.09113	22.2
166.09515	1.2
166.84564	0.6
175.02415	0.9
176.08296	0.7
179.07048	0.7
179.10643	5.8
209.11807	3.8
211.13350	3.8
227.12856	1.2
228.13943	0.6
253.09348	1.1
255.11311	0.6
257.12921	2.4
264.08978	1.2
265.21622	1.0
279.11307	2.4
283.06793	12.3
283.10376	1.1
299.10294	1.1
329.23267	5.9
357.06024	0.7
431.31671	2.0
432.32413	0.8
434.30377	3.9
435.30707	0.8
436.18704	1.2
448.31900	1.7
449.32608	16.6
450.33368	2.8
476.31458	1.1
477.32126	3.6
477.43469	0.8
478.32208	0.9
480.34662	1.9
494.32455	2.2
495.33359	26.1
496.33902	4.1
514.78510	0.7
563.23090	2.2
581.24310	4.2
582.23889	1.5
625.22955	2.3
639.24121	0.7
657.38562	100.0
658.27344	0.8
658.38892	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	657.3855
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82179	0.5
51.52552	0.4
57.03324	0.8
59.01265	2.8
59.01500	0.4
61.98697	1.3
69.72572	2.8
70.86344	0.5
71.01247	1.5
87.00742	1.1
89.02298	0.9
94.68639	0.5
96.95895	0.7
98.20538	1.0
101.02312	1.2
108.04343	0.5
111.04375	0.6
113.02354	0.7
121.06467	1.1
122.03616	0.9
127.11131	0.6
134.05994	0.7
135.04396	3.4
136.05199	34.4
137.05899	1.1
137.09514	0.6
138.05409	0.4
146.63504	0.6
146.98737	0.4
147.08104	0.6
148.05186	0.8
149.05974	7.7
150.06761	8.2
151.07416	0.5
155.10735	0.5
161.04433	0.7
162.06773	2.7
163.07561	2.4
164.08324	4.2
165.09125	16.4
165.10500	1.0
166.09457	1.0
179.10641	2.5
209.11749	2.1
209.13617	0.7
211.13275	3.1
244.86121	0.4
257.12997	1.0
273.79462	0.5
299.10315	0.9
301.11896	0.7
313.23587	0.7
315.21597	1.7
329.23337	6.3
344.18845	0.5
376.69879	0.5
415.53900	0.5
431.31613	1.9
432.32199	0.5
433.32950	1.0
434.30585	4.9
435.30615	0.8
448.31879	1.6
449.26529	0.9
449.32706	15.0
450.32959	1.5
453.33984	0.6
457.55862	0.5
476.31409	2.0
477.31866	3.8
494.32281	3.6
495.33163	29.8
496.33560	4.4
563.23193	1.5
581.24017	1.0
631.78998	0.6
657.38531	100.0
658.38928	18.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.349
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33586	0.5
52.97079	0.5
53.69249	0.5
55.14279	0.6
57.03315	1.5
59.00959	0.9
59.01247	16.2
61.98703	5.2
65.03818	0.9
69.03330	0.9
69.69394	3.8
71.01250	8.0
72.99180	2.2
75.00753	2.8
78.95787	1.2
81.03316	0.8
83.01238	0.6
83.04877	3.0
85.02824	1.6
85.06460	1.2
87.00732	1.2
89.02316	6.4
95.04906	1.1
96.95901	1.4
97.06453	2.2
99.00741	0.9
101.02322	6.7
105.06936	0.8
105.74001	0.6
109.06474	1.4
111.08019	1.7
113.02341	3.6
119.03366	1.1
123.08014	1.1
125.08744	0.9
125.09613	10.1
127.11225	0.7
128.03419	0.7
133.06471	0.8
134.06017	0.7
135.08043	3.8
137.09608	1.1
139.03908	1.0
143.03433	1.0
159.11708	0.5
159.99203	0.6
161.04401	1.9
163.07455	0.7
163.11183	1.0
167.10692	0.6
171.10168	11.4
173.13258	0.8
174.01620	0.8
175.02399	0.8
176.18254	0.6
179.05460	0.5
183.13762	1.4
185.11757	6.1
187.14795	1.1
189.16400	0.8
205.15887	2.1
207.13849	10.8
209.11781	12.0
210.12027	1.2
211.13322	17.7
212.13646	1.5
213.14809	0.7
215.14282	2.9
219.23206	0.7
221.15376	1.3
227.12834	1.8
231.13654	1.2
233.15414	34.1
234.15771	2.9
235.13319	5.9
237.15172	0.6
241.09717	0.5
249.14902	5.3
250.15263	0.7
251.16467	2.1
253.09233	4.0
271.10800	0.8
283.10809	0.7
291.19751	0.7
295.10776	0.6
323.23697	1.1
327.05045	2.5
331.26221	1.7
339.23346	0.7
341.24741	2.6
357.05942	1.3
359.21994	0.9
359.25925	1.8
367.22839	2.1
375.25528	0.9
377.23096	1.3
377.27319	0.7
385.23856	9.8
386.24048	1.3
393.26443	0.8
403.19504	1.0
403.24854	20.4
404.25031	2.5
421.25922	13.4
422.26193	1.3
486.35083	0.6
495.36755	1.5
563.22388	0.9
579.38953	0.7
581.23676	2.5
597.39734	1.7
607.22559	0.7
625.22809	2.2
639.33728	31.4
640.34302	6.6
657.34790	100.0
658.35181	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	657.3495
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14327	2.3
57.03315	4.0
59.01249	57.4
61.98706	15.0
69.03315	3.2
70.79046	5.6
71.01254	43.5
72.99164	3.8
73.02814	8.3
78.95777	3.1
81.03307	3.2
82.02850	4.1
83.01271	6.8
83.04897	5.2
85.02816	16.3
87.00770	13.6
89.02325	14.5
94.06497	6.5
95.01269	6.2
95.04930	11.8
95.05436	2.8
96.95885	4.2
97.02840	6.6
97.06468	7.2
99.00746	3.9
99.04351	2.0
101.02323	26.8
106.06529	3.2
109.02799	2.4
109.06459	8.9
111.00813	3.2
113.02329	18.9
119.03364	3.9
121.06530	4.0
123.04404	4.7
123.08038	3.4
124.07626	3.1
125.02356	3.6
125.09627	11.5
129.06274	2.0
134.06006	22.9
135.08015	5.7
136.05196	8.7
139.03932	6.1
145.04919	4.2
147.23016	2.3
150.06717	4.2
152.10635	2.5
161.04445	8.7
163.11255	10.6
164.76813	2.3
165.09050	3.9
165.12784	5.4
171.10110	4.3
179.05482	2.9
179.10666	4.5
181.08740	2.2
181.12234	4.5
183.13867	3.1
185.11700	3.5
190.04994	4.5
195.13817	5.4
207.10126	7.0
209.11818	27.7
211.13368	26.4
212.13652	2.8
215.05879	3.6
221.15382	4.1
225.11282	6.0
231.17279	2.5
233.15417	3.8
235.08200	14.2
241.09784	5.6
243.05338	10.4
249.14888	6.2
253.09143	10.6
263.16422	3.0
265.17972	4.0
271.10895	6.4
275.16431	4.0
277.18018	4.6
283.10855	10.0
285.12427	9.3
295.10840	5.3
299.10364	16.1
323.23926	2.3
329.24850	19.6
339.23267	2.7
341.24814	6.0
347.25894	8.3
355.22705	8.4
359.25873	6.4
367.22650	5.3
373.23819	62.9
374.24054	5.4
385.23837	19.1
391.24838	65.4
392.25223	9.1
403.24924	70.6
404.25174	13.2
409.25922	16.1
410.26266	3.2
420.19077	7.8
421.25928	36.1
422.26370	6.1
446.08289	3.3
495.37296	5.5
496.20969	15.8
563.22998	19.1
564.22839	4.7
581.24359	11.3
597.40369	5.3
607.21967	4.0
609.32776	100.0
610.32941	18.5
621.32422	11.6
625.23065	12.3
627.33807	42.7
628.34070	11.2
639.23352	4.1
639.33820	62.1
640.34497	12.3
657.25549	28.7
657.36316	26.4
658.25690	8.9
658.37506	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	657.349
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03302	1.1
59.01246	14.5
61.98703	5.3
69.40520	0.9
71.01245	9.6
71.36764	1.3
72.99163	1.3
75.00735	1.2
78.95761	1.7
79.95594	1.5
80.96397	2.7
81.03336	1.4
83.01271	1.0
83.04895	5.8
85.02814	3.7
85.06445	2.1
87.00744	1.8
89.02321	4.8
95.04920	1.8
96.95860	1.6
97.06441	2.6
101.02303	5.6
109.06480	1.6
111.08017	2.7
113.02306	3.2
119.03410	1.3
123.08029	1.8
125.09604	8.7
134.05998	1.8
135.08063	2.1
143.74664	0.9
161.04471	1.5
163.11156	1.4
171.10178	18.3
172.10446	1.5
175.02348	1.0
183.13808	1.2
185.11737	3.4
187.14816	1.4
205.15887	2.3
207.13864	5.2
209.11760	19.7
211.13332	25.6
212.13701	2.5
215.14441	0.9
221.15407	1.5
227.12785	3.7
231.13823	2.3
233.15414	31.5
234.15799	2.8
235.13249	4.2
241.09894	1.0
247.13364	1.2
249.14922	11.6
251.16528	1.7
253.09256	6.9
285.03973	2.5
293.20398	0.9
295.49286	0.9
331.26453	1.8
332.26447	1.1
341.24826	2.9
359.25928	1.5
367.22818	2.6
375.25427	1.5
377.27036	1.4
385.23773	9.4
403.24829	19.0
404.25156	1.8
421.25821	11.1
422.26044	1.1
563.22980	1.1
564.23138	1.4
581.23920	2.0
625.23328	2.6
639.33813	33.9
640.34003	6.7
657.34875	100.0
658.26337	1.1
658.35211	20.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	656.1467
Annotation	Unknow
Peak:m/z	Relative Intensity
70.64734	6.2
77.30410	1.6
80.48926	1.6
116.92687	2.2
133.02831	4.5
176.80791	1.9
186.26105	1.6
205.06685	1.9
251.45532	1.9
285.04092	4.1
297.03857	4.3
298.04767	9.7
299.05606	12.2
309.03943	2.2
313.03494	19.6
314.03946	2.8
327.05051	50.1
328.05356	3.0
329.67535	2.0
339.04904	4.1
357.06122	15.6
369.05890	3.0
431.09949	11.8
432.10049	2.4
593.15057	100.0
594.15338	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	656.1468
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49292	0.8
53.88493	0.9
55.87146	0.9
57.03321	1.2
59.01254	7.8
61.98694	6.3
63.22096	0.9
71.01244	6.6
71.50846	1.5
72.99171	2.1
73.02815	1.8
73.58067	1.0
75.00727	1.0
79.29161	0.9
80.96355	1.4
82.14094	0.9
85.02833	2.0
87.00743	2.5
88.98634	1.2
89.02312	3.6
96.95834	1.2
99.00760	1.0
101.02325	4.2
109.02837	4.2
111.02724	0.9
113.02322	2.2
114.05471	9.7
115.00266	1.9
116.92772	1.6
120.99520	2.2
133.02849	9.3
137.02345	1.5
149.02347	1.6
149.12784	0.9
151.00232	2.2
161.02338	2.7
161.04370	1.1
163.00238	4.5
165.01714	1.1
165.05499	1.1
175.02364	1.9
175.03888	2.9
177.01869	1.0
189.05426	1.4
201.01842	3.4
202.99783	1.8
218.99458	1.5
225.05540	1.5
233.04515	2.7
234.04506	1.3
241.04866	1.9
245.00963	1.1
253.04987	2.4
253.09239	1.2
255.03014	1.1
257.04477	6.2
273.60068	0.9
275.05606	3.7
285.04044	46.0
286.04456	3.2
287.16653	1.4
293.04697	1.2
297.04028	33.8
298.04401	4.4
299.05423	2.6
301.03525	14.7
302.03760	1.6
305.17386	1.2
305.59918	1.1
309.04013	7.2
311.05612	12.9
312.06085	2.1
313.03476	1.9
325.03464	2.0
327.05017	10.3
337.03497	16.8
337.07175	0.6
338.03903	2.0
339.05115	2.4
351.04987	3.5
355.04715	1.1
355.12460	1.0
365.06650	1.4
393.06137	3.3
411.07193	100.0
412.07565	13.9
473.10355	1.6
575.14191	10.5
576.14178	1.6
597.27563	5.3
656.34247	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	656.1468
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61855	1.5
54.96246	1.5
59.01234	3.4
61.98688	3.0
71.01272	1.8
98.19772	3.8
118.57646	1.4
133.02840	5.1
149.02248	1.8
151.00247	3.2
175.03940	2.0
182.65691	1.4
199.03897	2.0
201.32430	1.7
230.53851	1.5
284.03238	13.9
285.04028	100.0
286.04367	7.1
321.85541	1.4
374.99084	1.6
403.84586	1.5
593.15094	79.4
594.15515	13.1
634.70380	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	656.147
Annotation	Unknow
Peak:m/z	Relative Intensity
56.59619	0.5
59.01241	2.7
61.98697	4.3
69.65409	3.0
71.01250	1.3
83.01250	0.9
87.00749	0.9
89.02290	0.8
97.02847	0.8
109.02840	1.2
125.02378	0.7
133.02856	4.9
135.04356	0.8
149.02367	0.9
151.03889	0.9
159.45639	0.5
161.02328	1.1
163.00293	0.6
163.03860	0.9
165.01846	1.1
170.95815	0.6
171.24152	0.6
175.03851	1.9
177.01773	1.6
177.05458	1.1
179.03362	1.0
191.03406	1.0
191.07187	0.5
201.01822	0.8
203.03380	0.7
205.01302	0.6
207.02959	0.7
213.05420	0.8
217.04982	0.6
225.07610	0.7
227.03465	0.6
235.02380	1.1
252.32492	0.6
267.06604	0.7
270.05286	0.5
283.06094	0.8
297.03943	1.8
298.04694	5.7
299.05530	2.4
309.04099	1.2
310.04926	1.0
311.05457	3.3
312.06317	5.2
313.03775	0.9
313.07117	5.6
323.05612	1.1
327.05090	3.8
339.05020	7.0
340.05658	0.9
341.06601	3.5
351.04990	1.0
353.06631	2.2
357.06317	1.5
369.06104	27.0
370.06476	3.6
381.06073	3.4
399.07214	20.9
400.07376	3.3
411.07126	2.2
413.09280	0.7
429.08261	3.8
441.08261	1.3
445.11951	0.6
464.37943	0.6
471.09174	1.2
473.10959	3.2
489.10388	8.9
490.10638	0.7
503.11960	1.2
519.11530	0.9
542.78192	0.7
575.13849	1.4
593.15082	100.0
594.15399	17.3
594.24908	0.8
633.29529	0.7
657.12799	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.3695
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03312	0.8
59.01246	21.3
59.03173	0.7
61.98699	8.1
71.01241	4.8
71.50195	0.8
73.02809	2.3
78.95761	0.8
79.95586	1.6
80.96391	4.3
85.02820	2.0
87.00771	0.9
89.02309	1.7
94.97945	1.1
95.01245	0.7
96.95912	1.3
97.06485	0.8
101.02319	3.3
111.85975	0.7
113.02348	1.1
121.06463	0.9
122.03654	1.4
125.02396	0.7
135.04411	3.2
136.05193	43.1
137.05647	1.4
149.05968	8.4
150.06770	4.3
151.07443	0.8
162.06789	3.2
163.07564	1.7
164.08296	4.6
165.09113	17.1
165.10486	1.3
171.10226	1.9
178.32555	0.7
179.10666	0.8
189.09169	0.8
209.11795	2.7
211.13280	2.0
225.00664	2.0
225.11374	1.0
229.14381	0.9
263.20145	1.2
327.21832	12.3
342.07278	0.7
366.72226	0.7
415.27530	0.7
429.30084	2.6
430.30661	1.1
431.31476	0.9
432.28635	4.7
443.09335	0.8
446.30280	0.9
447.31079	16.9
448.31534	2.1
474.29980	1.0
475.30765	2.6
492.31113	2.5
493.31635	29.4
494.32025	5.3
519.82971	0.8
538.91760	0.8
577.28058	0.9
637.32141	2.1
655.37067	100.0
656.28882	0.8
656.37469	22.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.3695
Annotation	Russelioside A
Peak:m/z	Relative Intensity
57.03312	0.8
59.01246	21.3
59.03173	0.7
61.98699	8.1
71.01241	4.8
71.50195	0.8
73.02809	2.3
78.95761	0.8
79.95586	1.6
80.96391	4.3
85.02820	2.0
87.00771	0.9
89.02309	1.7
94.97945	1.1
95.01245	0.7
96.95912	1.3
97.06485	0.8
101.02319	3.3
111.85975	0.7
113.02348	1.1
121.06463	0.9
122.03654	1.4
125.02396	0.7
135.04411	3.2
136.05193	43.1
137.05647	1.4
149.05968	8.4
150.06770	4.3
151.07443	0.8
162.06789	3.2
163.07564	1.7
164.08296	4.6
165.09113	17.1
165.10486	1.3
171.10226	1.9
178.32555	0.7
179.10666	0.8
189.09169	0.8
209.11795	2.7
211.13280	2.0
225.00664	2.0
225.11374	1.0
229.14381	0.9
263.20145	1.2
327.21832	12.3
342.07278	0.7
366.72226	0.7
415.27530	0.7
429.30084	2.6
430.30661	1.1
431.31476	0.9
432.28635	4.7
443.09335	0.8
446.30280	0.9
447.31079	16.9
448.31534	2.1
474.29980	1.0
475.30765	2.6
492.31113	2.5
493.31635	29.4
494.32025	5.3
519.82971	0.8
538.91760	0.8
577.28058	0.9
637.32141	2.1
655.37067	100.0
656.28882	0.8
656.37469	22.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.3336
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03313	1.8
58.52625	0.9
59.00962	1.8
59.01250	31.5
59.29205	0.8
61.98699	5.2
65.03827	1.0
69.03321	1.1
69.46885	5.6
71.01248	9.2
72.99177	1.2
73.02806	2.1
77.37904	1.3
78.95778	2.4
79.75067	0.9
79.95578	0.9
83.01248	1.6
83.04876	1.0
85.02815	2.7
87.00758	1.6
89.02314	5.4
95.01274	1.1
95.04900	2.5
96.95874	2.1
97.06465	1.9
98.20511	2.0
101.02323	7.3
109.06438	2.8
113.02319	4.1
119.04867	1.0
121.06512	1.1
123.08064	2.6
125.09622	7.0
127.11185	1.3
128.03358	1.5
134.06000	1.0
135.08047	1.5
141.50621	0.9
152.99484	1.8
161.04500	2.3
161.13231	2.4
163.11183	2.6
171.10182	18.6
172.10576	1.0
185.11752	5.3
187.14897	2.7
189.12840	1.1
193.50052	1.0
203.14288	2.4
205.12280	9.2
206.12402	1.1
207.10223	6.3
209.11731	2.1
211.13307	12.3
221.15382	5.1
225.11214	5.6
231.13768	5.2
231.17506	1.2
233.11865	4.8
235.08272	1.6
247.13377	11.5
249.14932	8.6
253.09201	5.7
265.14508	1.7
275.12939	2.4
285.18307	1.1
306.07709	1.7
307.08017	1.1
311.23856	1.7
321.22223	2.7
329.25061	1.2
339.23236	8.0
347.20016	2.7
355.22845	2.3
357.24500	2.9
365.21213	2.5
373.23877	4.3
375.21613	2.2
383.22195	15.0
384.22614	2.4
391.24823	1.4
401.23303	33.7
402.23691	5.2
419.18744	1.9
419.24353	29.2
420.24521	3.1
461.20163	1.3
493.27841	1.1
493.35257	3.3
503.28772	1.2
535.23615	1.0
535.34003	1.7
553.35876	1.0
563.72375	1.1
611.30890	2.9
619.31183	2.1
637.32300	30.5
638.32343	4.3
655.33289	100.0
656.33685	21.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	654.2034
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	100.0
61.98694	9.0
68.01285	14.8
69.03326	9.8
69.22421	4.2
70.17457	4.3
71.01248	25.6
71.50281	8.1
73.02809	6.3
73.95286	4.5
85.02799	8.6
87.00732	9.9
88.98677	7.4
99.00742	4.9
101.02336	14.0
101.63667	4.5
109.02833	5.4
110.02348	11.6
113.02364	6.4
115.00246	11.0
121.02836	7.9
121.56794	4.1
124.03915	4.5
125.02316	11.7
133.02885	5.6
135.04384	10.2
137.02417	4.5
147.04439	24.0
151.00266	12.0
153.01837	8.0
161.04440	10.9
175.02457	21.8
201.11304	6.8
202.56042	4.2
203.05562	12.3
229.01566	5.1
230.06650	61.5
276.08768	9.7
279.23956	3.9
287.05411	4.8
297.06146	10.3
298.06339	5.7
299.05515	6.3
311.05817	4.8
312.06146	8.1
327.05365	4.4
336.11020	7.5
369.06085	6.6
370.06314	9.7
399.07001	11.3
400.07532	8.1
460.09741	7.7
503.12070	5.5
505.09790	7.9
563.13617	10.1
564.14264	39.9
565.14453	8.1
591.13477	7.2
613.30170	4.8
654.16168	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	653.3756
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	1.2
57.03314	1.0
58.00460	2.6
59.01252	37.0
61.98703	0.6
66.26402	0.4
69.03325	2.2
71.01255	36.3
72.01572	0.6
72.99180	2.7
73.02822	4.8
75.00736	0.9
78.95770	0.8
80.43114	0.4
81.03325	1.6
83.01254	3.5
85.02827	7.2
85.99940	0.5
87.00748	9.1
89.02320	32.2
89.37473	0.4
90.02677	0.5
91.03903	0.9
95.01247	2.5
97.02833	5.8
99.00751	2.6
99.04350	0.6
101.02325	28.1
102.02689	0.7
111.00815	0.4
111.04402	1.5
113.02328	14.2
119.03392	11.5
121.02850	0.8
123.37420	0.4
125.02339	14.8
129.03983	0.5
131.03372	1.5
133.04939	0.7
133.53925	0.4
136.96661	0.4
137.02361	0.6
139.03888	0.9
141.01837	0.6
143.03392	6.6
149.04483	1.2
152.99428	0.7
161.04474	6.9
167.03391	0.7
179.05537	6.9
185.04530	0.6
199.06009	0.4
217.07147	1.4
221.06671	3.0
227.14719	0.5
235.08197	14.6
236.08543	1.0
245.06677	0.8
253.09238	3.1
255.23274	100.0
256.23621	8.6
263.07626	1.2
269.24963	0.7
277.09409	0.9
279.23328	0.6
287.07721	3.1
305.08765	4.1
323.09909	1.4
361.11423	0.6
379.12646	1.1
397.13486	89.9
398.09106	0.7
398.13882	7.5
415.14566	34.8
416.14859	3.3
521.94147	0.5
559.08032	0.5
595.28882	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.2087
Annotation	Unknow
Peak:m/z	Relative Intensity
56.48418	3.2
59.00958	6.4
59.01247	100.0
61.98692	8.1
71.01252	22.2
71.50456	4.2
72.99176	3.7
73.02811	11.6
73.67133	3.3
80.37233	3.2
83.01260	3.4
85.02821	11.5
87.00737	3.7
89.02319	7.0
93.03323	4.6
96.10635	3.0
96.95872	4.4
101.02319	23.3
113.02298	9.2
115.00257	4.3
119.01615	3.3
119.03311	3.8
120.99585	4.8
121.02869	6.4
122.03664	8.7
129.01802	5.1
135.04433	3.8
137.02324	5.9
146.03622	5.9
149.02348	26.5
149.04434	6.2
150.03114	59.8
153.00055	11.7
161.04463	9.3
161.05870	3.5
164.04660	13.4
165.05489	55.4
175.02383	8.0
177.01828	3.3
179.03488	4.0
179.05583	5.2
179.06975	22.2
195.06519	36.4
196.07056	3.9
211.04292	8.6
239.03847	9.3
318.06961	4.1
357.13339	35.3
366.12903	3.5
389.15793	4.3
397.28009	3.5
400.15344	3.5
401.08893	4.0
435.91470	3.3
459.13373	5.7
491.26749	4.1
501.17401	4.2
563.13251	7.5
653.27325	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	653.3012
Annotation	Unknow
Peak:m/z	Relative Intensity
57.29037	0.9
57.63607	0.8
59.86815	0.8
62.96267	1.3
69.79280	3.2
69.79687	1.7
73.14408	1.0
75.58497	0.8
77.58775	0.9
78.95774	100.0
88.14146	1.0
118.81615	1.0
121.86600	0.8
138.86635	1.1
142.47824	0.9
149.00006	4.4
205.15868	2.7
236.26132	0.9
285.12573	3.8
355.16757	2.2
385.17975	1.1
447.13373	6.7
569.29681	2.2
580.50177	1.1
653.30121	56.8
654.30365	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	653.3751
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01750	1.3
57.03312	1.7
58.00475	2.2
59.01248	45.8
60.01582	0.6
65.95039	0.4
69.03319	1.9
71.01251	36.3
72.99186	2.7
73.02811	5.8
75.00722	1.0
81.03320	1.6
83.01260	3.3
85.02821	8.0
86.03161	0.4
87.00748	9.1
89.02312	33.9
90.02634	0.5
91.03876	1.2
95.01239	2.5
96.55577	0.4
97.02830	5.0
98.20599	0.7
99.00757	2.5
101.02321	28.7
102.02612	0.6
103.03775	0.5
109.02832	0.5
111.00766	0.5
111.04366	1.0
113.02319	14.1
113.03080	0.9
114.02579	0.5
115.03865	0.9
119.03381	9.7
121.02792	0.7
123.04391	0.5
124.01523	0.7
125.02334	11.9
126.02694	0.5
129.01831	0.5
131.03384	1.9
133.04912	0.9
139.03885	0.9
143.03397	5.9
149.04420	1.1
161.04466	8.4
167.03401	1.0
169.04848	0.5
179.05525	6.1
185.04420	0.4
199.06065	0.7
217.07158	0.9
219.05008	0.7
221.06589	2.7
235.08180	14.3
236.08530	0.8
245.06662	0.7
253.09256	3.3
255.23254	100.0
256.23569	9.1
263.07782	1.3
269.24957	0.6
277.09238	0.8
287.07794	3.4
305.08789	3.7
306.09244	0.5
323.09848	2.1
361.11325	0.4
374.08450	0.4
379.12695	0.8
397.13467	84.6
398.13770	7.9
415.14554	30.6
416.15005	2.7
503.01044	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.282
Annotation	Haplophytine
Peak:m/z	Relative Intensity
59.01214	0.9
61.98680	3.1
69.46585	2.6
69.46991	6.6
78.95782	1.1
114.36206	1.0
213.79066	1.1
309.20712	1.3
417.17130	1.7
431.15009	4.5
432.15671	2.9
445.16721	12.6
445.53625	1.3
446.17371	15.7
447.17868	3.4
459.18060	8.1
460.19040	23.8
461.19708	15.5
462.19864	1.3
474.20148	1.9
475.21484	9.3
476.21280	1.5
504.17972	1.8
505.17551	1.5
518.19336	3.9
519.20398	5.5
533.21960	1.5
591.22784	1.8
592.23169	1.9
606.24829	16.6
607.24994	3.8
620.26263	16.4
621.27155	55.5
622.27246	10.0
651.28235	100.0
652.28625	21.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
56.55077	0.7
59.01244	2.7
60.99175	3.5
71.01250	1.6
71.50343	1.0
71.81594	0.7
73.02802	1.0
75.00757	0.8
84.39462	0.8
87.00755	1.9
88.98679	15.2
109.02818	1.3
116.92695	1.4
121.02812	0.8
125.02322	0.9
127.15823	0.6
133.02866	4.4
135.04375	1.3
136.59079	0.7
149.02364	0.9
150.03043	0.8
151.00267	2.6
151.03854	1.2
163.03857	1.0
167.03291	0.9
171.81664	0.9
175.02402	1.4
175.03926	1.8
177.01909	1.2
179.03349	1.0
191.03285	0.8
203.03372	0.9
205.04968	1.0
213.05304	0.8
239.07149	1.3
266.05798	1.0
267.06604	1.6
274.48209	0.7
283.05862	0.8
287.05569	1.0
297.03918	1.5
298.04678	4.2
299.05402	2.9
309.03946	1.2
310.04822	0.9
311.05542	4.9
312.06348	5.6
313.07004	5.1
327.05042	3.5
328.05606	0.9
339.05048	7.5
340.05435	1.2
341.06717	3.6
344.05606	1.0
353.06802	2.8
367.04553	1.0
369.06113	28.7
370.06186	3.4
381.06097	4.0
399.07199	29.8
400.07343	3.7
411.07333	2.8
423.07077	0.9
429.08301	5.6
441.08255	3.7
459.09250	12.4
460.09756	1.0
471.09717	1.0
473.10815	3.5
474.11935	0.8
489.10410	2.2
491.11996	0.9
503.12463	1.2
545.12799	1.6
563.14044	100.0
564.14282	15.8
653.16724	1.1
653.35425	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.2457
Annotation	Acetylpringleine
Peak:m/z	Relative Intensity
54.24981	0.7
59.01262	0.9
63.86561	0.8
71.31264	1.2
78.95758	0.8
98.62824	0.7
100.35189	0.7
101.97099	0.6
149.13899	0.9
157.71811	0.7
161.32297	0.7
180.30649	0.7
198.70486	0.7
211.08737	1.1
431.15408	0.9
445.17282	0.9
447.14828	0.8
448.15146	1.6
459.18430	0.9
460.18533	0.8
461.15857	1.0
477.19012	1.2
489.15250	11.0
490.16211	3.5
491.17307	3.1
503.16995	1.9
504.17978	5.9
505.18909	5.0
506.19193	1.8
515.17157	1.6
545.18530	1.4
549.17676	4.9
564.20306	0.9
591.22485	5.7
592.23096	1.8
619.21497	1.0
651.24579	100.0
652.24896	21.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.2506
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	2.2
57.03320	1.6
58.00455	1.5
59.01249	38.9
63.84405	0.9
69.03325	0.9
71.00854	2.0
71.01252	39.3
71.62986	0.9
72.99176	3.5
73.02820	19.7
75.00742	2.1
75.10678	1.0
79.30872	1.2
80.21494	1.0
83.01252	4.2
85.02821	13.2
87.00757	5.6
87.04372	2.1
89.02315	26.7
89.81219	0.9
95.01269	3.1
97.02831	1.4
98.19751	1.7
99.00755	2.8
99.04417	2.1
101.02319	43.1
103.03896	3.6
109.02850	1.3
113.02321	14.3
115.03900	3.1
119.03397	10.9
123.44091	1.0
125.02346	4.3
127.03869	2.0
131.03404	6.2
136.48410	1.1
143.03394	10.6
145.04958	21.6
149.04396	1.2
152.24625	1.0
159.02846	2.4
161.04453	16.7
163.03876	1.1
163.06003	6.3
167.03342	1.0
168.09671	0.9
179.05528	29.5
205.07088	8.7
221.06638	4.1
247.08199	6.7
265.09293	2.5
272.39355	1.0
325.11487	4.1
367.12439	100.0
368.12851	9.3
397.13422	3.0
427.14496	9.0
429.17673	4.4
531.13434	1.2
591.23010	39.0
592.23322	5.8
633.16211	1.4
651.17444	4.0
652.16199	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	651.1315
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55945	2.7
51.62380	2.7
51.97732	2.9
56.78410	2.7
59.01238	4.8
61.98703	8.1
63.16375	2.5
70.28249	6.6
79.26386	2.9
89.02329	3.4
96.95879	4.8
101.02298	3.2
113.03564	2.5
133.02818	4.9
134.03632	3.5
136.15712	2.6
154.64943	3.0
161.58209	3.0
174.26974	2.7
193.04976	4.6
195.10269	2.9
297.04178	4.4
298.04922	6.4
299.05725	5.7
310.05096	3.5
311.05627	5.7
312.06448	8.8
313.07281	8.4
327.05154	9.0
339.05112	10.1
341.06592	4.5
345.73004	2.9
353.06851	4.0
367.04590	7.1
369.06009	20.1
385.05600	14.0
397.05658	7.8
399.07147	18.5
415.06500	14.5
441.08209	6.0
457.07925	4.5
459.09186	14.5
475.08820	51.4
476.08875	4.9
561.12482	100.0
562.12769	15.4
659.15802	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	651.1316
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	29.7
71.01253	20.6
71.05138	6.3
72.99178	27.8
73.02827	6.0
89.02322	29.6
93.01044	2.5
95.18963	3.6
101.02317	14.0
106.09335	3.0
109.85087	2.6
113.02316	4.4
115.08542	3.3
131.03391	7.6
133.02859	7.6
149.04453	20.3
175.03841	2.8
180.06610	3.2
191.05544	11.7
235.14546	3.7
270.65134	2.9
281.08182	3.4
295.05972	6.6
297.04019	3.3
298.04837	6.7
299.05539	6.2
309.07632	13.1
310.08246	5.1
311.05557	7.9
312.06387	8.7
313.07098	8.6
324.09863	6.5
325.10825	12.1
327.04953	4.8
339.05112	11.6
339.12344	8.7
341.06564	5.2
357.06070	3.8
367.04492	4.5
369.06131	29.3
371.07977	3.2
381.06107	3.4
385.05484	11.1
397.05466	8.2
399.07214	24.0
415.06494	11.6
415.11154	5.4
457.07867	5.9
459.09167	18.5
475.08875	43.0
476.08813	4.5
543.11609	3.7
561.12512	100.0
562.12567	19.7
651.32715	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	650.252
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76524	0.4
58.02847	5.1
59.01248	3.6
61.98695	2.2
66.03330	0.7
69.36007	3.6
69.36414	0.8
70.02866	0.7
71.01250	1.9
72.00771	0.7
74.02343	11.5
78.95774	0.9
79.13481	0.4
80.37772	0.4
81.04468	0.7
82.02851	1.6
82.06453	0.4
83.49916	0.5
84.04450	0.5
85.02830	0.6
86.02338	3.8
86.98943	0.7
87.05524	2.4
88.98650	0.5
89.02290	0.6
90.00065	1.3
96.95885	0.5
97.03965	1.6
99.05516	9.0
101.02322	1.0
101.07092	1.6
102.05497	1.4
107.06046	0.5
109.03970	1.6
111.05547	0.7
112.03920	1.3
113.02333	0.6
113.03442	0.6
116.01641	0.4
119.10561	0.5
119.56346	0.4
120.01180	0.7
123.05524	1.5
125.03453	1.7
127.05002	1.6
128.03421	25.0
135.04553	0.4
135.05537	2.8
137.07036	0.5
141.06584	2.0
143.04523	38.2
144.04877	0.8
145.06082	1.7
146.04485	3.4
153.06548	2.4
160.00641	9.7
166.09752	1.6
167.04509	2.2
167.08163	1.5
170.03157	0.7
177.03334	3.4
179.04536	7.2
181.06085	1.2
185.05641	1.2
189.08315	0.4
192.07671	0.6
197.05527	1.0
198.08783	0.5
210.08769	6.8
223.95419	0.4
242.07730	1.3
254.07764	8.0
272.08865	15.1
273.09290	0.6
287.16702	0.8
288.06616	5.1
306.07632	100.0
307.07950	5.3
354.79428	0.4
361.47153	0.4
364.76474	0.5
375.49194	0.5
423.35825	0.4
446.30035	0.5
614.27539	0.7
644.41168	0.5
650.28174	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	650.173
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	11.5
61.98721	5.6
71.01250	14.9
71.50249	7.6
73.02835	7.7
83.01234	4.8
85.02831	6.3
87.00739	5.2
88.31754	4.1
91.64463	3.9
97.02792	5.1
101.02350	8.1
109.02840	7.6
111.04424	6.6
113.02311	10.0
121.02813	5.3
123.04405	10.3
124.01578	5.2
125.02330	12.7
135.04443	12.6
137.02319	15.9
139.03929	4.8
149.02298	7.9
151.00197	5.1
151.03883	8.3
153.01825	13.3
161.02348	7.9
163.03946	5.3
165.01793	9.5
166.02600	5.7
167.03473	13.5
175.03781	5.0
177.01836	9.1
179.03401	10.3
191.03352	6.2
193.01401	5.2
195.02954	9.6
200.07143	7.4
207.02957	6.3
207.04990	7.9
209.04462	11.0
213.05638	4.0
223.02417	6.3
233.04395	5.6
235.02432	5.6
239.05348	6.4
241.04993	4.6
249.04050	6.8
267.06647	5.2
281.04593	4.7
281.08093	3.9
282.05368	6.4
303.07330	7.3
310.04623	4.2
311.05707	5.0
324.05685	3.8
327.07507	4.7
328.05353	4.4
337.07117	19.3
353.06793	9.8
357.07764	5.7
367.07690	13.4
368.09680	11.7
410.08588	6.5
410.65854	3.8
415.52927	4.4
443.09671	10.1
457.11237	11.3
470.10959	6.6
473.10873	14.9
488.14432	5.0
503.11713	6.8
512.12054	6.0
530.13074	58.1
531.13153	11.5
577.15454	15.7
593.14923	15.1
632.15961	9.4
650.17236	100.0
651.17365	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	650.2089
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	100.0
60.01558	1.4
69.40629	8.1
71.01247	7.0
71.25755	1.0
73.02811	1.8
83.01228	1.8
85.02826	4.0
101.02335	3.4
111.60505	1.2
113.02322	3.8
121.02831	18.3
125.02305	1.5
158.31851	1.1
161.04446	6.3
191.71059	1.2
209.04480	14.3
210.04889	1.3
269.10291	4.1
311.11420	2.3
321.77808	1.1
429.63800	1.3
540.51489	1.2
650.31158	1.3
654.47656	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	650.1723
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01241	2.0
71.01247	2.1
71.42163	2.1
72.99162	2.1
85.02836	2.1
87.00780	1.4
93.03332	2.6
97.02839	1.8
101.02363	1.4
107.01258	1.4
109.02816	2.5
117.03332	3.2
121.02847	1.5
123.04425	3.3
125.02306	2.9
133.02829	2.5
135.04422	2.4
137.02316	4.8
147.04433	1.7
148.03864	2.0
149.02322	3.2
150.03131	2.1
151.03912	3.2
158.06029	1.3
160.03964	1.6
161.02307	3.6
163.00366	1.9
163.03914	3.2
165.01831	4.4
166.02614	2.7
167.03384	2.4
175.03989	2.9
176.03514	1.8
177.01793	4.1
177.04224	4.3
177.05544	1.7
179.03436	6.4
181.04976	1.5
189.01822	1.5
191.03418	5.3
192.30785	1.2
193.01390	1.6
195.02913	2.2
197.04503	1.8
200.03386	1.9
202.04813	1.3
203.03503	2.4
205.01321	2.1
205.03696	4.1
207.02919	4.0
209.04512	2.4
213.05655	1.3
218.04642	1.5
219.03032	1.4
221.04491	1.6
233.04466	1.8
235.02391	2.3
239.05435	2.6
241.04822	1.4
280.08221	1.5
283.06131	3.2
295.06189	3.6
296.06924	3.3
297.07703	8.6
298.04779	3.6
299.05417	2.3
309.07785	1.7
311.05624	4.3
313.06949	3.0
321.06229	2.1
323.05569	3.7
325.07190	5.2
327.04996	3.7
328.05692	3.7
337.07037	1.5
339.05005	3.0
341.06693	2.2
353.06570	11.6
365.06769	3.3
368.09924	26.4
369.05896	6.5
382.09268	2.8
383.07593	8.5
392.07452	2.5
395.07697	2.2
399.07111	3.9
410.08832	12.3
412.10345	3.1
422.08807	4.2
440.09949	14.8
441.10095	2.1
452.10162	1.5
459.09140	2.7
470.10965	6.5
473.10916	4.9
488.14114	9.4
489.10321	4.6
503.12137	2.8
512.11963	6.3
530.13055	33.0
531.13074	6.0
542.12622	3.0
560.14203	7.5
591.13263	2.0
592.56940	1.6
593.15057	32.4
594.15509	4.4
609.14807	7.6
632.16522	10.8
633.16583	2.6
650.17273	100.0
651.17462	15.8
653.29803	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	650.173
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	11.5
61.98721	5.6
71.01250	14.9
71.50249	7.6
73.02835	7.7
83.01234	4.8
85.02831	6.3
87.00739	5.2
88.31754	4.1
91.64463	3.9
97.02792	5.1
101.02350	8.1
109.02840	7.6
111.04424	6.6
113.02311	10.0
121.02813	5.3
123.04405	10.3
124.01578	5.2
125.02330	12.7
135.04443	12.6
137.02319	15.9
139.03929	4.8
149.02298	7.9
151.00197	5.1
151.03883	8.3
153.01825	13.3
161.02348	7.9
163.03946	5.3
165.01793	9.5
166.02600	5.7
167.03473	13.5
175.03781	5.0
177.01836	9.1
179.03401	10.3
191.03352	6.2
193.01401	5.2
195.02954	9.6
200.07143	7.4
207.02957	6.3
207.04990	7.9
209.04462	11.0
213.05638	4.0
223.02417	6.3
233.04395	5.6
235.02432	5.6
239.05348	6.4
241.04993	4.6
249.04050	6.8
267.06647	5.2
281.04593	4.7
281.08093	3.9
282.05368	6.4
303.07330	7.3
310.04623	4.2
311.05707	5.0
324.05685	3.8
327.07507	4.7
328.05353	4.4
337.07117	19.3
353.06793	9.8
357.07764	5.7
367.07690	13.4
368.09680	11.7
410.08588	6.5
410.65854	3.8
415.52927	4.4
443.09671	10.1
457.11237	11.3
470.10959	6.6
473.10873	14.9
488.14432	5.0
503.11713	6.8
512.12054	6.0
530.13074	58.1
531.13153	11.5
577.15454	15.7
593.14923	15.1
632.15961	9.4
650.17236	100.0
651.17365	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	650.136
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	25.1
61.98708	11.1
69.70595	67.7
77.55225	9.7
80.17591	10.0
85.02827	14.7
89.02305	15.7
94.66228	11.7
96.95872	26.4
98.20525	13.0
100.38561	10.4
107.01228	14.6
109.02836	48.8
119.04893	11.0
121.02846	13.4
123.04395	10.8
125.02286	14.7
133.02841	29.8
135.04417	26.6
137.02345	40.8
147.04297	9.4
149.02330	24.1
151.00256	42.0
151.03905	23.8
153.01851	19.7
163.00227	25.6
163.03900	18.7
165.01863	20.4
167.03398	17.8
168.87540	10.8
176.03004	12.3
177.01849	53.9
179.03374	25.9
180.04184	11.8
190.02422	10.9
190.99791	15.7
191.03403	22.3
193.01358	37.1
195.03011	15.0
205.01411	32.9
206.02010	15.0
219.02922	25.7
219.26064	10.9
232.02382	29.7
235.02406	39.4
247.02426	23.2
252.98703	10.8
257.04507	13.3
263.02057	18.7
265.03491	19.1
284.03317	17.9
285.04102	15.1
297.03809	18.7
299.05554	24.9
301.03629	21.7
311.05695	16.0
313.07211	15.1
315.04965	17.0
324.05090	27.8
327.04895	15.8
339.05011	20.4
342.06110	43.7
343.04550	21.9
347.25562	11.8
355.04626	20.3
357.06143	24.8
369.06317	21.4
371.17099	14.7
373.05743	12.1
383.04092	20.7
385.05496	18.1
401.05109	94.0
402.05426	15.5
431.06058	28.5
471.09323	19.9
475.08585	19.7
497.52441	11.2
503.08224	36.9
521.09448	86.8
526.26324	10.7
530.09424	22.4
540.13562	25.6
590.13177	25.9
605.11322	25.7
617.13647	31.2
618.13928	13.4
623.12701	61.2
632.16479	22.5
650.14380	100.0
651.15839	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	648.4117
Annotation	Unknow
Peak:m/z	Relative Intensity
56.33747	1.0
56.72221	0.8
57.16418	0.7
61.98700	100.0
70.19198	2.7
88.22610	0.8
99.36986	0.7
100.62754	0.9
162.43634	0.7
210.94556	0.8
332.93094	0.8
613.32031	0.8
636.75494	0.8
656.81995	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.3598
Annotation	Unknow
Peak:m/z	Relative Intensity
54.21344	0.5
55.01740	1.1
57.03329	1.0
59.01250	29.1
60.21924	0.6
61.98706	3.9
67.95481	0.6
71.01255	13.2
72.01604	0.7
72.99165	1.0
73.02823	5.2
75.00056	0.6
78.95781	0.7
83.01260	2.9
85.02821	8.2
85.99991	1.4
87.00729	3.2
88.98731	0.6
89.02335	3.4
95.01240	1.5
96.95938	0.9
97.02802	0.6
99.00741	1.8
101.02332	8.1
113.02341	6.1
119.03396	0.9
125.02312	0.8
143.03395	0.7
159.02916	0.7
161.04460	3.0
174.01471	0.8
341.24658	2.6
342.24942	0.7
367.26575	1.2
369.27869	3.2
371.29556	2.5
396.25162	0.7
397.27139	1.4
401.26666	0.7
403.28470	2.0
413.26764	1.8
415.28531	23.0
416.28876	3.5
427.28384	0.8
429.26346	1.7
432.69754	0.7
445.29611	15.5
446.29623	2.3
447.27557	2.8
459.26852	0.7
470.33209	0.7
529.32147	1.3
545.55212	0.6
559.32379	0.9
561.36572	0.7
589.33777	59.1
590.34082	11.5
605.34906	0.7
607.34863	23.4
608.35071	4.8
621.38727	0.6
649.35950	100.0
650.36212	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	646.2137
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01239	0.5
61.98698	100.0
71.42779	0.6
115.07678	0.4
119.03513	0.4
151.40965	0.4
175.13222	0.3
217.38637	0.4
238.38132	0.4
257.07071	0.4
513.22589	0.4
559.36688	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	648.2362
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02844	4.4
59.01254	3.0
61.98690	1.6
70.02836	0.6
71.01254	2.3
71.50135	0.8
72.00746	0.7
72.99163	0.7
73.02802	0.6
74.02342	11.5
74.35715	0.5
78.95773	12.0
80.60084	0.4
80.96375	0.9
81.04433	0.7
82.02850	1.0
83.02354	0.5
84.00737	0.4
84.04404	0.5
85.02827	0.8
86.02348	4.8
86.05962	1.1
86.98959	1.1
87.05515	2.6
87.99745	0.5
89.02307	0.7
90.00050	0.8
96.95887	0.9
96.96842	1.2
97.03950	1.6
98.02361	0.4
99.05515	9.9
101.02309	1.0
101.07072	1.4
102.05470	1.4
107.05991	0.6
109.03943	1.6
109.07568	0.6
111.05510	0.6
112.03899	0.5
115.45467	0.4
116.01653	0.4
116.92807	0.5
120.01126	0.5
121.03996	0.5
123.05516	1.6
124.03909	0.6
125.03445	1.4
127.05003	2.5
128.03423	27.3
129.01714	0.4
129.03763	0.8
131.04495	0.7
135.04568	0.4
135.05559	2.3
137.07071	0.8
141.06569	2.2
143.04521	38.4
144.04877	1.2
145.06062	1.8
146.04465	3.2
152.99466	1.7
153.06609	2.5
155.08110	0.4
160.00648	10.2
166.09735	1.5
167.04591	3.0
167.08159	1.3
171.00597	2.6
171.07817	0.6
175.03824	0.5
177.03313	3.4
179.04494	8.3
180.04552	0.5
181.06110	0.9
184.10812	0.5
185.05585	1.3
186.42508	0.4
192.07666	1.0
197.05574	1.2
198.08798	0.8
209.11761	0.5
210.08783	7.0
211.13304	0.5
241.81665	0.5
242.07874	0.6
250.55157	0.4
254.07788	9.6
255.08142	0.5
256.03146	0.5
272.08862	17.6
273.09128	0.8
288.06601	6.2
293.21155	0.7
294.21616	1.1
306.07626	100.0
307.07913	6.4
331.50751	0.4
334.54352	0.4
339.16153	0.7
345.20676	0.5
425.27136	1.0
426.27087	1.0
443.28015	4.6
444.28226	5.6
445.29132	0.8
563.14313	0.6
612.26337	1.3
630.26862	2.4
648.27911	3.4
649.27521	0.8
649.39813	0.6
673.32800	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.435
Annotation	Unknow
Peak:m/z	Relative Intensity
58.88486	0.9
59.01236	1.4
61.98703	4.6
64.93496	0.8
71.49579	1.4
75.11705	0.8
81.36272	0.7
83.04931	1.2
88.52896	0.8
90.85802	0.7
95.04912	1.0
99.08033	1.6
111.54791	0.8
113.02263	0.8
113.09584	2.2
119.04929	0.9
123.08016	1.1
127.23203	0.8
129.09116	3.0
147.11703	3.6
163.11220	1.7
165.12778	3.0
169.12218	3.5
170.93268	0.7
171.10153	2.2
179.56125	1.0
181.12262	3.4
183.13779	1.4
193.12206	0.9
197.11734	9.2
199.13379	4.7
211.13345	13.4
212.13739	1.4
215.10463	4.8
233.11551	50.9
234.11833	2.8
261.11029	0.9
262.11792	2.2
263.11951	1.6
293.21289	9.0
294.21652	1.4
311.22272	100.0
312.22665	10.6
331.18799	2.1
332.19095	1.1
333.20416	7.5
359.19876	1.0
397.71457	0.9
431.22372	1.0
445.24359	2.4
590.08765	0.9
618.33966	4.2
645.34247	1.2
645.43561	11.5
646.43933	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	644.146
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01764	0.7
57.03318	3.3
59.01245	100.0
60.01586	1.3
68.01275	2.3
68.99686	2.1
69.03323	14.5
71.01247	26.9
72.87305	0.6
72.99157	0.7
73.02816	2.3
81.03331	1.4
83.01244	6.8
83.04898	0.7
85.02821	11.5
87.00744	8.1
87.04385	0.6
89.02334	1.2
95.01260	5.2
95.04884	1.1
97.02827	14.9
99.00740	6.9
99.04388	1.9
101.02341	2.1
103.63638	0.7
110.02431	1.4
111.00749	5.7
111.04420	1.3
113.02311	6.7
116.03905	0.7
123.00856	1.0
127.03886	7.0
129.01817	20.9
131.03372	0.8
135.04414	1.1
141.01825	24.1
147.04388	3.1
159.02895	14.7
161.04446	1.9
171.02914	2.0
177.03943	4.0
201.03963	55.6
202.04329	1.7
203.05518	2.6
217.03712	0.6
219.05040	16.9
220.05347	0.9
230.06639	6.8
231.07051	0.7
267.67233	0.7
276.08975	1.6
312.25186	0.6
336.10828	1.3
602.31299	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	644.1982
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01238	0.3
61.98697	100.0
71.17934	0.8
84.03374	0.3
96.95929	0.3
113.06993	0.3
150.40128	0.3
416.61722	0.3
551.99933	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.4347
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98696	0.3
69.03330	0.5
69.44691	0.7
69.45100	2.0
77.03854	0.3
78.73376	0.3
78.95797	0.4
84.02030	1.3
87.89562	0.3
97.02833	2.0
97.06460	0.3
99.08035	0.9
100.11975	0.3
109.22534	0.4
115.07539	0.7
117.28648	0.3
120.43742	0.3
122.14153	0.3
127.07534	12.6
128.08179	0.3
129.09122	1.0
165.12770	0.8
167.06787	0.3
167.14333	0.6
169.08524	0.3
181.12260	1.7
182.13042	0.3
183.13820	3.5
195.13840	3.0
201.08966	0.6
203.10468	1.8
205.12206	0.3
217.08461	0.5
219.09956	1.1
221.11501	1.3
223.13097	8.6
224.13435	0.5
233.07889	1.2
233.11531	7.0
234.11829	0.5
235.09503	2.3
237.11066	2.8
241.14386	0.3
242.15121	0.4
249.11330	0.3
261.11096	0.9
262.11841	9.8
263.12213	0.7
265.10541	1.9
267.12100	11.9
268.12415	1.1
274.53513	0.3
281.09970	0.4
285.18329	0.3
293.21100	1.8
294.10834	0.4
303.19363	2.7
305.20990	1.1
311.22256	16.3
312.22766	1.5
315.19318	2.3
317.17221	0.6
319.18982	0.7
331.18015	0.9
333.20450	100.0
334.20789	10.5
351.20337	0.9
365.18182	1.2
438.17670	0.3
472.70947	0.3
602.66449	0.3
645.42426	2.9
646.42389	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2776
Annotation	Unknow
Peak:m/z	Relative Intensity
53.85922	1.1
59.01256	13.8
61.13049	1.1
61.98702	5.5
68.12366	1.1
71.01251	7.8
73.02827	2.1
78.85316	1.3
78.95788	4.7
79.95605	2.5
80.96388	7.8
85.02833	2.4
87.00760	3.3
89.02327	2.5
94.97981	2.0
95.31896	1.2
96.95884	23.9
96.96864	5.0
98.19753	2.2
101.02302	4.5
106.06509	1.5
106.98034	1.3
113.02364	1.3
115.00228	2.7
119.03391	1.3
122.05974	2.3
125.21588	1.2
134.06067	2.0
144.04498	3.2
146.06003	2.5
148.07594	4.5
161.04642	5.2
162.05479	4.3
164.98555	1.9
171.10184	1.4
172.03996	5.2
174.05536	3.3
175.02438	4.4
176.62924	1.3
179.05537	1.4
190.05011	2.4
197.11763	15.7
204.06561	11.6
209.11763	13.4
210.12143	1.8
211.08878	1.5
211.13329	3.3
212.05849	10.5
215.72324	1.2
221.06688	1.4
225.00798	2.4
225.06680	3.0
227.12845	2.6
237.10286	8.6
238.10805	2.1
239.08202	8.5
240.05232	1.3
240.08919	3.4
241.09721	2.7
243.94849	1.4
251.08211	2.3
251.11902	2.1
252.12740	6.2
253.06224	9.6
253.09752	9.6
254.06638	1.4
254.10475	2.6
255.11258	7.7
266.07034	2.9
267.07755	12.2
267.11389	6.5
268.08615	7.9
268.11890	7.6
269.12888	9.1
270.13538	1.5
271.14529	4.6
279.07892	2.5
279.11237	1.8
280.08496	8.2
281.09262	26.0
282.09940	3.9
285.08878	4.0
295.10898	22.2
296.11615	25.2
297.09393	1.4
297.12204	7.8
298.09698	1.8
299.10260	6.6
300.11209	1.9
304.81656	1.4
312.11215	1.4
313.11942	2.7
327.13611	4.7
328.10754	1.6
328.14334	1.6
339.09888	3.3
340.10617	6.5
341.11469	2.3
351.78247	1.5
372.13339	4.8
373.13998	6.8
390.14648	6.5
402.18277	1.6
404.16235	3.0
418.17795	2.5
432.38037	1.2
434.13879	1.6
435.14157	1.5
463.17850	1.4
466.16132	3.0
495.20096	15.6
496.20813	2.7
545.86639	1.5
553.21210	1.4
566.51392	1.4
567.26111	9.1
611.25098	37.0
612.25555	5.5
643.27917	100.0
644.28040	19.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2774
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	12.2
59.20911	1.4
61.98707	12.5
71.01251	5.2
71.50838	2.8
72.99200	1.2
73.02805	1.4
78.95795	4.8
79.95600	2.3
80.17792	1.2
83.04887	1.5
85.02844	1.7
87.00742	3.1
94.06468	1.7
96.95888	34.2
96.96819	8.5
101.02329	3.9
101.65821	1.3
104.53396	1.3
106.08321	1.2
113.02338	2.0
116.16871	1.2
116.73920	1.3
118.96394	1.2
122.05984	3.9
124.07571	2.1
126.67625	1.2
130.11642	1.3
131.44951	1.1
133.79706	1.1
134.05994	1.7
135.05989	1.3
139.03923	2.8
146.06006	3.1
148.07591	9.4
149.04634	1.7
161.04663	2.7
162.05496	7.4
163.11224	1.6
167.12567	1.3
169.12213	1.9
172.03981	3.1
175.02408	3.0
181.50040	1.5
183.13838	1.7
197.11746	27.1
198.12083	1.4
199.08481	1.2
202.40880	1.4
204.06567	3.5
209.11775	20.4
210.12405	1.7
211.08643	1.9
211.13322	4.4
212.05820	5.7
212.09422	1.6
212.13577	2.2
224.09518	2.1
225.00728	1.7
225.06670	5.0
225.10265	2.9
227.12775	3.7
235.08115	1.2
237.10310	6.4
239.08180	10.0
240.08914	3.8
241.09608	2.3
244.13419	1.8
251.08424	2.5
251.11823	2.2
252.10393	3.2
252.12694	3.9
253.06236	13.2
253.09734	15.0
254.10522	4.2
255.11308	6.3
266.07043	6.2
267.07697	14.9
267.11313	6.4
268.08484	9.5
268.12006	6.6
269.10150	1.3
269.12970	9.7
271.14471	13.7
272.14810	1.6
277.09808	1.9
279.07776	2.9
279.11362	2.7
280.08551	13.4
281.09320	32.4
282.09729	3.7
283.10883	1.6
284.08096	2.3
285.08725	2.6
295.10864	45.8
296.11624	32.3
297.12317	11.6
299.10260	4.7
300.11044	1.5
311.10309	1.9
312.11182	1.4
313.11758	3.2
320.53439	1.5
327.13623	7.4
328.10703	6.6
328.14151	1.8
339.09741	6.4
340.10638	8.6
341.11316	3.6
347.56140	1.4
357.72757	1.2
371.12265	8.6
389.23392	1.5
390.14603	3.5
404.11563	1.4
404.16302	4.0
419.18649	2.1
434.13409	1.7
448.15225	1.4
463.17294	4.1
495.19882	4.0
554.96735	1.5
567.26117	25.9
568.26471	4.1
611.25073	100.0
612.25195	21.5
643.27167	20.0
644.32581	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	643.277
Annotation	Unknow
Peak:m/z	Relative Intensity
57.52783	0.9
59.01256	7.1
61.98700	10.0
70.88924	1.9
71.01250	3.8
73.02840	1.1
78.59446	0.8
78.95767	1.7
80.96401	2.0
85.02812	1.8
87.00755	1.3
87.93874	0.8
89.02322	2.3
96.95891	7.2
96.96828	1.2
97.22972	0.8
99.00738	1.0
101.02311	2.8
108.04409	1.6
108.08043	1.0
112.98650	1.1
113.02341	1.4
113.99461	1.2
115.00229	2.9
125.09514	1.2
134.05975	2.1
136.03906	2.6
138.40996	0.8
146.06013	1.3
148.07562	3.7
152.99515	1.0
160.03941	1.2
161.04669	5.7
162.05473	2.7
166.81212	0.8
172.03922	1.4
174.05464	1.0
175.02374	2.7
179.10704	0.8
197.11751	3.3
204.06622	5.1
209.11668	2.7
211.08766	1.2
212.05884	7.5
212.09409	1.6
213.06157	0.9
225.06604	2.7
225.10144	2.0
226.07582	1.0
226.12378	0.9
237.10260	6.1
238.08751	1.3
239.08189	7.5
240.08835	2.7
241.09766	1.1
251.08096	1.7
251.11926	2.2
252.08824	1.3
252.10213	0.9
252.12592	6.6
253.06142	8.9
253.09784	8.1
253.13116	1.6
254.10335	1.8
255.11348	6.0
263.08160	1.0
265.06049	1.6
266.06894	3.0
267.07764	10.9
267.11215	6.3
268.08621	8.7
268.11926	7.4
269.12875	3.8
271.14490	2.8
279.07715	2.1
279.11197	1.3
280.08459	6.2
281.09305	21.1
282.09689	2.3
283.10660	0.9
285.08740	3.4
291.13293	1.0
294.10046	1.0
295.10889	18.6
296.11618	20.3
297.12271	7.4
299.10431	6.8
300.11050	1.6
311.10248	1.9
313.11896	4.3
325.11978	1.1
327.13318	4.7
328.10587	1.3
328.14017	1.3
339.09760	2.8
340.10571	6.2
341.11319	1.3
346.20789	0.8
371.12326	1.8
372.13135	7.2
373.14120	7.1
376.13074	1.3
390.14545	5.1
391.15399	1.4
404.16107	3.5
419.18289	1.5
420.19119	1.0
422.17264	1.1
434.13525	3.1
436.18701	1.3
448.15674	0.9
450.60617	1.0
463.16986	1.0
466.15979	3.4
481.27609	1.0
481.35043	1.2
495.19977	18.6
496.20416	3.9
549.21344	2.5
567.25562	3.0
611.25250	13.0
612.25385	2.1
643.27612	100.0
644.27704	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	643.1517
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98697	10.5
69.40583	43.5
71.01260	6.9
81.03331	11.9
83.01273	10.6
93.03301	10.7
95.01236	6.9
97.02832	9.2
107.05576	5.7
109.02821	16.6
111.00753	6.0
111.04423	9.9
111.77566	5.5
113.02318	6.5
117.03429	6.2
121.02868	15.7
123.04413	26.6
125.02330	36.2
133.02893	8.9
135.04378	12.7
137.02350	20.4
139.03979	10.0
147.04414	10.6
149.02328	16.2
150.89587	5.4
151.03903	18.4
153.01840	19.6
160.41400	5.9
161.02388	7.5
163.00275	11.4
163.03914	14.7
165.01860	11.3
167.03413	40.3
171.82823	5.5
175.03893	13.1
177.01869	21.2
179.03436	28.1
180.04086	11.4
181.01379	15.3
183.02966	7.2
189.01884	8.5
191.03430	31.7
193.01344	15.7
195.02901	20.4
197.04373	6.8
203.03569	8.7
205.01387	12.5
205.40320	5.9
207.02948	25.7
209.00810	7.1
209.04491	75.5
209.11705	7.4
219.02917	38.2
221.00871	16.2
221.04550	9.5
223.02425	20.4
225.03918	13.9
235.02396	39.1
237.04018	14.0
239.05571	17.4
247.02478	13.9
249.03998	22.8
253.03317	7.0
263.01846	15.7
265.03516	25.0
269.06903	6.5
277.03571	6.6
279.05020	12.2
283.05649	6.4
295.04462	8.3
297.07797	14.6
298.04578	7.4
299.05341	7.7
303.07141	13.9
306.80374	5.9
307.79535	5.6
313.07187	8.3
315.04739	7.2
325.29898	6.1
329.08810	14.1
341.06586	16.9
343.06952	8.2
353.06671	30.6
355.06821	10.8
357.05975	9.2
369.06207	17.9
370.06430	15.9
371.07501	7.3
373.05688	6.6
379.33405	5.9
381.06082	6.5
383.07208	25.3
385.05887	19.4
387.07053	8.6
399.07233	11.2
400.07571	8.3
403.06610	8.8
415.06735	19.7
417.08466	7.6
443.09738	8.8
445.07852	7.1
449.12888	32.6
459.09265	6.6
461.10898	12.5
465.11444	16.7
473.10870	19.7
477.11026	10.4
478.11050	8.1
487.10989	55.9
488.10672	6.2
489.10202	16.2
490.11014	11.2
493.09744	16.4
505.09955	79.4
506.11411	28.8
517.09882	8.4
523.10956	26.3
531.10150	6.2
535.11047	8.3
569.15485	11.1
580.14111	28.7
593.15070	84.7
594.15375	17.9
608.14172	11.1
609.14923	43.6
610.15356	11.6
625.14032	17.5
626.14685	21.3
643.15088	100.0
644.15131	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	643.1518
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01229	39.9
69.84817	78.4
71.01249	49.5
77.27520	14.3
80.96409	24.5
83.01262	27.2
87.00742	21.0
93.03326	18.4
95.01278	24.6
97.02808	22.9
98.20220	41.5
99.00722	22.7
101.02325	34.9
107.01235	28.2
107.45919	17.2
109.02837	33.3
111.00746	52.7
119.04957	19.9
121.02811	56.1
123.00759	26.7
125.02358	82.6
133.02910	34.6
135.04361	30.9
137.02348	48.7
139.03891	60.8
145.02917	21.5
149.02338	32.8
151.03923	45.7
153.01814	96.3
156.95883	22.7
161.02316	29.5
163.00240	19.5
163.03915	28.3
165.01799	45.7
167.03510	40.4
175.03819	17.5
177.01851	35.9
178.99696	27.1
179.03395	53.2
181.01331	47.0
183.02864	32.2
189.01791	19.9
191.03343	46.1
193.01282	51.2
195.02937	40.6
203.03339	24.1
205.01349	22.5
207.02979	42.6
207.04935	29.0
209.04471	37.8
219.02869	30.2
221.00905	40.3
234.89378	16.4
235.02414	46.1
239.05609	24.7
265.03256	23.0
271.05811	25.5
273.06226	27.4
299.05615	21.2
301.05811	21.7
303.07101	53.3
327.04858	56.0
355.06702	18.8
357.06403	20.2
371.06122	21.8
383.06326	22.3
435.09277	46.4
447.09543	100.0
459.09711	26.1
473.10654	49.2
481.11044	23.2
491.10635	54.5
505.10095	28.9
523.10809	54.3
579.13300	20.7
593.15143	45.3
609.14569	40.9
643.15277	82.4
643.26636	66.2
644.15729	25.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	642.1862
Annotation	Unknow
Peak:m/z	Relative Intensity
54.33538	1.2
59.01237	3.6
62.64335	1.3
71.01235	2.9
71.51472	1.8
73.02787	2.4
83.01258	1.8
85.01044	1.5
85.02811	1.9
88.02014	1.1
89.02292	1.6
89.07130	1.3
101.02306	1.9
107.04888	1.5
112.54282	1.1
113.00552	100.0
114.00896	2.8
126.98175	1.1
161.05930	1.8
163.06062	1.2
176.07086	61.4
177.07446	3.1
182.21037	1.3
484.18240	40.2
485.18460	4.6
528.17383	4.1
562.15979	67.1
563.16351	7.5
579.13446	2.8
642.18390	12.2
643.18610	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	643.152
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73954	9.4
59.01243	36.8
61.98709	13.1
65.63823	9.0
67.01765	9.3
68.99681	13.0
69.03335	13.2
71.01247	34.3
80.96395	28.8
81.03320	21.0
83.01289	21.3
84.16036	10.4
85.02824	27.6
87.00744	13.6
93.03330	26.8
94.97934	11.7
95.01278	18.9
97.02824	25.4
99.00760	15.0
101.02302	18.0
105.35850	9.8
107.01246	12.0
108.02108	13.2
109.02793	24.3
111.00762	27.3
111.04392	20.4
113.02346	13.9
121.02817	33.7
123.00774	21.7
123.04415	16.4
125.02303	67.8
133.02853	15.5
135.04427	30.9
135.49637	10.7
136.25821	10.1
137.02332	46.0
139.03929	26.6
141.01833	12.5
144.05020	11.8
147.04420	21.7
149.02347	29.9
151.00307	17.2
151.03891	25.3
153.01826	87.0
159.04282	10.1
161.02438	9.7
163.00278	16.4
163.03923	25.1
165.01833	33.0
167.03438	29.3
173.02374	11.5
175.03897	27.4
177.01881	45.1
178.02727	9.5
178.99812	23.5
179.03395	31.5
181.01341	30.6
182.21078	8.5
183.02879	29.4
191.03470	20.1
192.61194	9.9
193.01357	44.6
195.02928	39.2
197.04543	14.0
201.01961	10.1
203.03427	28.0
205.01326	20.9
207.02953	32.2
207.05029	17.9
209.04401	19.7
219.02892	32.8
221.00859	16.5
223.02423	29.9
225.00629	19.7
225.04021	14.8
235.02388	27.2
247.02361	10.8
249.03885	12.9
253.05063	16.1
265.03467	23.9
269.04514	13.0
273.06116	23.0
283.06076	10.9
297.04013	15.3
299.05240	21.1
303.07278	30.9
311.05707	21.6
327.05179	36.0
329.08942	13.1
341.05884	11.5
343.07199	11.3
355.06604	12.0
357.06265	29.4
371.06512	24.1
419.09750	12.5
428.63467	10.7
435.09161	22.3
447.09244	61.7
459.09482	16.5
463.10504	16.5
473.11163	16.1
475.09085	17.5
477.10593	12.6
481.11780	12.0
491.10852	41.3
505.10193	31.9
523.11060	49.2
525.57428	11.1
579.13385	15.7
593.14978	33.0
609.14709	41.2
625.14087	23.9
643.15222	100.0
643.26495	75.1
644.15369	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	641.4033
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54325	0.7
57.03322	1.5
58.00452	0.8
59.01227	2.3
59.28321	0.9
61.98696	2.3
69.03307	1.3
69.52538	3.5
69.52965	2.2
69.56792	0.7
71.01248	1.8
73.02791	0.8
83.04872	0.8
87.00712	0.7
89.02289	0.9
95.04882	0.9
96.08259	0.8
97.02834	1.2
98.20506	1.8
101.02345	0.8
109.06435	1.2
111.08034	22.3
112.08387	0.8
121.30638	0.6
127.07531	0.8
136.07581	1.6
137.09676	0.9
147.11693	1.7
151.11188	3.3
153.12708	1.2
165.12726	2.9
169.12245	4.9
181.12265	1.6
183.13782	2.5
193.12238	1.3
197.11751	64.3
198.12077	4.7
199.13326	2.6
201.21954	0.7
211.13329	36.2
212.13670	3.2
215.10371	2.4
219.09956	44.7
220.10335	2.1
227.12848	1.3
229.19579	0.8
233.11540	19.3
251.13612	0.9
253.09201	0.9
262.11829	1.4
263.20181	3.0
265.18100	1.2
287.16190	1.0
291.19604	14.3
292.20068	0.9
309.20697	100.0
310.21036	8.7
311.91202	0.8
313.18036	3.5
331.18900	29.3
332.19156	2.8
375.17828	3.2
387.25266	1.3
405.26459	2.5
431.22644	0.9
445.24454	1.6
518.38672	0.9
547.23395	1.3
623.34827	0.9
641.39105	9.8
642.40662	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	641.403
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22487	0.3
52.27049	0.4
55.84563	0.4
57.03307	0.7
59.01246	1.0
65.60393	0.3
69.03320	0.7
69.60862	2.3
71.01241	0.5
78.95783	0.7
81.03320	1.1
83.04931	0.6
84.02016	0.5
85.02815	0.4
93.03328	3.0
96.95895	0.8
96.96788	0.5
97.02836	1.9
97.06441	0.5
107.04908	2.2
109.06441	0.5
119.04939	0.5
123.08038	0.5
125.09597	1.0
137.09610	1.6
141.09114	0.5
141.12755	0.5
149.09706	0.5
152.99509	0.6
163.11198	2.6
165.09097	0.5
165.12749	4.1
173.59360	0.4
177.12804	0.7
179.10699	0.4
179.14355	1.3
181.12303	2.3
183.13765	1.2
193.08401	1.0
193.15923	0.7
197.11806	0.8
207.10066	2.0
209.11758	1.1
211.13329	13.1
212.13687	0.6
219.09998	1.6
221.11652	1.0
223.13283	1.8
227.17940	0.5
231.09987	1.8
244.10747	1.9
245.11511	0.9
245.19063	2.1
247.09476	1.0
247.20616	4.7
248.10204	3.8
248.21031	0.5
249.10973	0.8
253.09314	0.5
262.11789	1.6
263.12540	1.2
273.18643	1.4
285.18353	0.6
291.19662	32.4
292.20044	3.6
293.15265	0.5
295.16718	1.0
309.20700	49.3
310.20944	4.8
313.14575	0.8
313.17853	22.4
314.18124	2.2
331.18890	100.0
332.19229	9.0
387.25491	0.8
405.26422	0.9
410.00397	0.4
447.22495	0.5
560.45282	0.5
623.25586	0.4
640.93591	0.5
641.41376	4.6
642.39362	1.3
643.71039	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.4032
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	2.1
57.96805	0.8
58.00470	0.7
59.01236	2.8
61.98699	12.6
62.44922	0.6
65.81471	0.7
69.03326	2.0
69.05916	0.7
71.01254	1.2
71.50060	1.3
73.21245	0.8
75.20153	0.7
83.04910	1.6
85.02826	1.3
89.02287	1.2
95.04908	0.8
96.95892	0.7
97.02823	1.0
97.06477	1.0
101.02309	1.7
103.23518	0.8
109.06468	1.6
111.08029	18.6
113.02331	1.0
113.83079	0.8
119.08527	1.5
127.07601	0.8
145.24033	0.6
147.11691	5.5
150.27203	0.9
151.11169	2.1
153.09071	0.8
153.12732	2.2
165.12773	7.0
165.17336	0.9
167.10681	0.7
167.14279	0.9
169.12282	7.3
179.10577	1.4
181.12271	1.5
183.13814	2.4
187.11037	0.8
191.10622	0.9
192.45433	0.7
193.12241	1.6
196.47098	0.7
197.11745	98.7
198.12085	6.0
199.13338	3.1
211.13324	32.4
212.13661	2.4
213.08836	0.8
215.10466	9.8
217.08376	1.0
219.09937	6.4
227.12849	1.1
231.10056	1.4
233.11540	95.4
234.11850	5.4
253.09215	1.0
263.20071	2.9
265.18130	2.2
273.18463	1.3
291.19650	15.7
292.20050	2.3
309.20688	100.0
310.21014	10.5
313.17810	2.3
331.18896	11.8
332.19373	1.4
343.26563	0.8
359.25583	1.0
361.27853	0.9
369.24332	1.1
387.25415	2.6
405.26456	5.4
445.24472	3.9
496.65955	0.9
574.92371	0.9
641.36554	9.8
642.37177	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.4032
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34192	0.6
56.57737	0.4
57.34304	0.5
59.01196	0.4
61.87416	0.4
63.96645	0.5
67.01785	0.5
69.03324	4.7
70.59801	0.5
70.88857	1.0
71.01227	1.3
88.28225	0.5
97.02822	23.5
97.06472	0.8
98.03140	0.9
110.03581	0.6
111.04407	0.9
114.28357	0.4
125.05927	1.2
152.00742	0.7
165.12782	0.7
178.02359	2.6
181.12254	0.9
183.13855	1.2
191.03091	2.3
210.01358	4.0
211.13312	6.0
219.06351	4.5
222.08658	3.8
223.09427	1.9
223.13057	0.6
233.07822	0.9
233.11554	0.8
234.08701	0.9
261.11050	24.7
262.11819	78.4
263.12158	5.8
267.11774	0.6
281.47397	0.5
291.19617	4.4
294.10828	5.9
295.10635	0.6
303.19443	0.6
309.20685	14.6
310.21042	1.5
313.17728	1.0
331.18881	100.0
332.19232	8.9
572.32068	1.6
641.39612	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.3539
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03317	0.9
59.01246	8.0
61.98711	5.4
65.42780	0.5
69.03319	1.1
70.12861	0.5
71.01255	4.9
73.02809	1.1
78.95786	1.3
83.01246	0.8
83.04913	1.3
85.02818	1.5
87.00744	0.8
89.02317	3.8
95.04890	0.8
96.95893	1.2
97.06458	1.4
99.00765	0.9
101.02311	4.0
107.04832	0.6
107.08517	0.5
109.06504	0.8
111.08015	0.9
113.02309	2.4
117.19611	0.5
119.03400	1.4
133.06468	0.7
135.08035	1.6
136.07582	1.4
137.09569	1.1
147.08046	0.6
152.99591	0.7
161.04491	1.5
165.12791	1.1
167.14238	0.7
169.79984	0.6
179.14122	0.5
183.13847	3.0
185.90955	0.5
193.12267	1.2
203.14169	0.6
207.17334	0.6
211.13342	48.4
212.13625	3.3
213.14853	1.6
231.17499	1.1
233.11578	4.7
235.08194	0.7
235.16904	0.6
237.14925	0.9
239.16490	1.5
241.18004	2.0
245.19109	0.9
247.13535	0.8
247.16959	0.6
253.09267	4.7
265.18134	1.1
267.19559	1.0
275.16565	1.7
291.19644	6.4
293.21188	0.8
299.23523	0.6
300.51166	0.6
309.20734	4.2
313.14468	0.8
313.17886	9.2
313.25266	0.7
314.18085	0.7
315.26965	2.5
317.28589	1.2
325.25378	6.8
326.25620	1.2
331.15451	0.8
331.18759	3.1
333.28009	1.8
341.24884	2.5
343.26385	6.1
351.23163	1.6
355.74255	0.6
359.25870	5.9
361.27509	3.3
369.24304	7.4
370.24609	1.2
377.26987	0.8
387.25388	14.2
388.25858	1.3
405.26447	29.2
406.26791	3.4
447.22165	1.6
547.23572	1.6
579.13031	0.6
591.22290	1.1
623.24902	0.7
623.34180	1.1
624.34998	0.6
641.35413	100.0
642.27625	0.9
642.35754	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	641.4034
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01239	1.1
61.98688	2.0
71.01237	1.9
76.31757	0.7
80.34485	0.6
81.03397	0.6
81.84732	0.6
83.65149	0.6
91.21978	0.6
93.42369	0.6
95.90801	0.7
96.95904	0.8
111.08016	2.3
127.07458	1.0
139.07492	4.1
151.11137	0.8
151.13773	0.6
153.12723	1.7
166.01027	0.6
166.56111	0.7
167.10666	1.8
169.12212	2.4
170.73550	0.7
181.12251	1.7
183.13766	0.7
189.09019	0.8
195.77356	0.7
205.03485	0.8
209.11519	3.7
211.13341	13.7
211.15405	0.8
212.13672	1.1
219.09947	6.1
221.11545	1.8
223.09676	1.4
227.12830	0.9
235.20615	0.9
247.09389	1.2
247.20625	1.1
248.10251	3.1
249.10965	2.0
250.11395	0.8
251.08963	0.9
253.10582	6.0
263.12503	1.2
263.19962	1.3
274.11838	1.0
291.19678	8.1
293.25137	0.6
294.09680	0.7
303.19263	4.1
309.20685	31.8
310.21075	2.9
313.17917	2.2
331.18872	100.0
332.19254	9.1
363.16714	3.8
368.23218	0.7
641.39105	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	641.354
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	1.9
61.98700	1.2
66.65485	0.2
67.76501	0.2
69.03324	0.3
71.01245	1.4
71.50378	0.3
73.02814	0.5
75.46358	0.2
78.95766	1.6
85.02801	0.4
87.00771	0.5
89.02297	1.2
92.87129	0.2
96.95888	0.3
96.96832	0.4
101.02324	1.4
113.02311	0.7
134.06055	0.3
139.03969	0.3
152.99498	1.6
161.04456	0.5
165.12752	0.4
167.10692	0.4
167.14330	0.7
179.05643	0.3
181.12166	0.3
183.13852	6.7
184.14149	0.4
193.12248	1.6
206.08118	0.2
211.13332	100.0
212.13670	6.5
220.14842	0.4
221.15469	0.3
225.11067	0.2
235.08141	1.7
236.10567	0.3
241.01166	0.7
249.22427	0.2
253.09270	4.1
254.09653	0.3
325.23975	0.7
387.25485	0.5
394.82016	0.2
405.26541	0.6
429.21304	0.6
447.22293	4.8
448.22781	0.7
480.24451	0.3
570.95148	0.2
595.16516	0.3
623.34686	1.2
641.28888	2.4
642.29816	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.3178
Annotation	Steviolbioside
Peak:m/z	Relative Intensity
53.43641	0.4
55.26366	0.3
55.27512	0.4
59.01252	3.4
60.06124	0.4
69.75861	0.4
71.01241	2.8
71.49347	0.5
72.99146	0.5
73.02815	0.4
80.11423	0.4
85.02833	1.1
87.00764	0.4
89.02311	2.4
101.02322	8.2
113.02316	3.5
119.03386	7.8
131.03426	0.6
143.03455	0.8
161.04445	4.2
167.32275	0.4
179.05446	0.4
221.06581	1.9
272.74481	0.4
317.21173	100.0
318.21545	9.9
323.09695	1.1
331.22891	0.9
359.22330	1.0
389.23413	0.4
392.13373	0.4
401.23325	0.5
430.72321	0.4
450.07635	0.4
479.26596	0.8
494.62305	0.4
521.27527	1.4
531.54376	0.4
563.28638	0.5
641.31561	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	641.3537
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44539	1.3
57.03304	2.6
59.01254	8.4
61.98701	24.9
69.03301	1.3
69.77461	5.2
71.01263	6.0
72.57187	1.1
75.30825	1.1
83.04906	2.2
85.02806	2.1
89.02291	3.8
95.04860	1.7
97.02818	2.8
97.06449	1.8
101.02296	4.1
104.35166	1.0
109.06460	1.1
111.08045	11.0
113.02299	1.4
119.03365	1.9
135.07962	1.7
137.09598	2.7
147.11617	3.4
156.03360	1.0
161.04411	1.2
165.12776	5.5
169.12222	4.8
171.10158	1.5
181.12288	1.4
183.13786	3.8
185.11775	1.2
193.08322	1.8
193.12184	2.1
197.11754	47.4
199.13321	1.2
207.09988	1.1
209.15288	1.1
211.13336	52.1
212.13585	3.5
213.14851	1.4
215.10370	4.3
219.09889	4.0
227.12836	2.0
233.11552	54.3
234.11855	2.7
249.14795	1.3
251.16418	1.6
253.09177	4.2
263.20151	1.4
265.18054	2.0
267.19803	1.2
291.19638	13.7
292.19962	1.5
309.20694	56.9
310.21136	5.9
313.17792	3.3
315.26794	2.2
325.25284	7.2
331.18887	7.3
333.27789	1.8
341.24619	1.2
343.26318	6.7
351.22894	1.5
359.26047	5.1
361.27469	1.9
369.24310	7.1
387.25427	14.0
388.25449	2.3
405.26456	33.9
406.26389	3.0
447.22104	2.3
567.22150	1.6
641.35107	100.0
642.35522	22.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.2851
Annotation	Unknow
Peak:m/z	Relative Intensity
56.78796	0.7
57.03315	1.4
59.01250	17.0
61.98703	14.7
63.96088	1.0
67.62626	0.6
71.01252	14.9
71.50333	0.7
72.99165	1.4
73.02814	4.0
75.00710	0.9
78.95761	1.5
78.98457	6.2
79.95602	13.3
80.96390	67.1
81.03333	1.3
83.01260	1.0
85.02831	4.2
87.00746	4.6
89.02302	4.1
92.84603	0.7
94.97958	16.5
96.95882	2.4
97.02826	1.8
101.02339	5.6
106.97961	3.4
113.02322	3.1
115.00202	0.8
118.97934	1.0
119.03390	1.6
119.58025	0.7
120.99464	1.1
122.97483	5.3
125.02338	3.7
127.03938	1.3
134.97476	5.5
136.98996	2.3
148.99052	6.8
150.06720	1.0
152.98528	7.1
156.13127	0.8
156.14488	0.7
161.04500	1.4
164.98546	12.2
171.10162	1.1
175.02350	1.0
179.05527	1.7
182.99612	1.2
206.99675	3.7
209.11688	1.3
211.13365	1.1
225.00682	19.0
241.01170	0.7
269.12784	0.9
299.04419	2.6
345.70105	0.7
367.24368	0.9
479.33347	0.8
527.17920	0.9
589.72211	0.8
609.23309	1.1
641.28229	100.0
642.28387	19.6
642.85034	0.8
644.06158	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.2847
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56441	0.6
56.63137	0.6
57.03310	1.5
57.21744	0.7
59.00962	1.0
59.01250	20.8
61.98705	14.0
62.60439	0.6
63.96062	1.0
67.79118	0.6
71.01250	14.4
71.50457	1.1
72.99157	1.2
73.02826	3.9
75.00716	0.7
78.95780	0.9
78.98458	6.1
79.95604	13.7
80.96390	64.3
81.03323	1.1
83.01240	1.9
85.02826	6.1
87.00738	3.0
89.02316	6.6
94.97962	17.6
95.01250	1.3
96.95873	2.0
97.02799	2.2
99.00719	1.4
101.02328	7.9
106.97960	3.0
107.05879	0.7
113.02322	3.7
115.03867	0.7
119.03406	1.5
120.99484	0.9
121.06461	0.6
122.97463	5.4
125.02313	3.0
127.03941	1.3
134.97499	4.1
136.05145	1.2
136.99002	2.2
139.28708	0.6
143.03426	0.9
146.74316	0.6
146.97493	0.7
148.99078	5.5
150.06746	1.0
152.98543	6.8
161.04417	1.6
163.07492	1.2
163.73956	0.7
164.98552	12.4
167.07033	0.7
171.10152	0.9
175.02429	0.9
179.00182	0.8
179.05507	0.8
182.99591	1.8
206.99608	2.6
209.11818	0.7
209.31407	0.7
211.13133	0.7
225.00703	20.1
227.12744	0.7
243.01698	1.9
254.10558	1.2
255.11188	0.8
259.24542	0.7
269.12976	4.9
299.04376	2.7
302.75305	0.7
317.05774	0.7
455.71780	0.7
479.31110	1.1
496.57526	0.7
504.05957	0.7
532.69501	0.7
533.23102	0.8
581.35779	0.7
641.28174	100.0
642.28552	16.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96131	0.4
56.32419	0.5
57.03292	0.5
58.00464	0.7
59.01247	18.2
59.52615	0.4
61.98691	1.0
68.23319	0.4
69.54648	1.0
69.55055	1.9
71.01252	14.9
72.99169	1.0
85.02810	2.4
87.00755	1.7
88.98673	0.6
89.02310	24.1
95.01243	1.1
101.02324	7.9
113.02313	6.5
119.02586	0.8
119.03389	10.2
121.02837	100.0
122.03167	4.1
131.03377	1.7
139.26601	0.4
143.03381	3.0
145.02791	0.7
149.04454	1.4
156.84688	0.5
161.04428	2.9
163.03871	0.4
165.05510	0.5
179.05525	7.6
221.06087	0.8
227.98026	0.5
235.07545	1.1
253.08636	1.2
263.07150	2.5
275.07111	0.6
280.07443	0.6
281.08228	6.3
282.08542	0.6
291.06647	1.8
292.07520	0.6
293.08069	2.1
294.08823	1.5
296.10440	1.2
307.09616	0.5
308.10544	1.4
309.07669	20.2
310.08069	2.0
323.09253	2.8
324.10007	10.8
325.10300	0.9
328.05356	1.0
339.12326	33.4
340.12674	3.3
357.36758	0.5
405.14981	0.5
578.15887	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	641.1364
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52919	2.5
53.91295	2.1
59.89668	2.3
71.01261	6.0
79.01792	3.2
79.16265	2.5
81.03297	2.4
85.02821	5.1
93.03347	4.1
95.01266	4.2
96.95896	4.8
97.02842	4.4
98.20568	5.7
107.01285	8.7
108.02023	2.4
109.02851	23.2
111.00752	5.9
113.98006	2.6
121.02859	5.9
123.00756	4.8
123.04418	5.1
125.02343	11.8
133.02866	16.9
135.00728	4.8
135.03249	2.5
135.04410	6.9
137.02338	12.0
138.03125	2.9
139.03926	5.1
147.04387	5.3
149.02344	13.2
151.00281	6.6
151.03896	8.6
153.01831	5.5
161.02365	6.0
163.00259	6.5
163.03914	9.9
164.01016	3.1
165.01840	11.9
165.05475	2.4
167.03416	11.2
175.03929	7.8
176.01105	4.0
177.01842	16.8
179.03441	10.2
180.04115	5.1
181.01233	2.8
181.05106	2.8
187.03972	5.1
189.01898	5.0
190.02597	4.1
190.99777	4.5
191.03413	17.8
193.01385	10.6
201.01886	3.0
201.05600	3.6
203.03500	3.9
205.01370	11.9
205.05031	4.1
206.01941	2.4
207.02917	11.6
209.04530	6.9
213.05598	5.4
215.03387	3.4
217.01364	6.9
219.02983	14.0
221.00931	4.5
221.04613	3.9
222.01637	8.1
223.02399	5.1
229.05069	3.7
231.02939	4.5
235.02417	16.9
236.03249	2.8
241.04938	4.3
243.02995	3.7
243.06644	3.1
245.04524	3.3
247.02452	12.2
249.04066	5.5
255.03180	2.9
255.06476	3.3
256.03488	3.4
259.02469	5.2
261.03909	3.5
263.02020	2.8
265.03568	11.0
277.03552	8.2
279.05023	3.1
283.02728	3.3
285.03915	3.2
286.04837	3.0
287.05496	3.2
289.03613	3.2
289.74747	2.5
291.01514	3.9
293.03119	4.8
298.04764	8.6
299.05548	8.0
301.03540	4.4
311.05640	7.3
312.06342	3.8
313.03745	3.7
313.07190	7.2
325.06174	2.7
327.04926	12.3
329.02982	4.1
330.03741	3.2
339.05038	7.7
341.06445	3.5
355.04440	12.2
357.06192	16.2
359.03998	4.0
359.07977	3.1
367.06281	3.5
369.06189	26.4
370.06644	5.1
373.05524	4.6
383.06284	4.3
385.05429	14.3
387.07248	9.2
399.07104	10.5
400.07462	2.9
401.05170	35.2
402.05463	4.5
411.06509	3.1
413.04843	3.1
431.06061	19.7
443.06299	3.5
459.09586	5.0
461.07544	7.8
475.09006	14.7
477.10385	10.3
487.09308	3.7
489.10455	17.9
491.08289	3.7
493.10394	3.1
503.08127	11.6
504.08582	3.5
505.11752	8.2
507.11276	5.0
521.09344	76.8
522.09680	10.2
533.09558	3.9
551.10400	10.5
570.31927	2.6
593.85657	2.6
595.13043	9.2
597.14496	4.3
607.13202	9.4
608.13959	26.1
609.14307	3.6
623.12238	15.4
641.13611	100.0
642.13989	18.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	640.2096
Annotation	Unknow
Peak:m/z	Relative Intensity
54.33196	0.2
59.01246	0.7
59.24085	0.2
61.98702	100.0
66.26180	0.2
68.81601	0.3
70.79140	0.7
71.01257	1.1
72.99181	0.2
85.02829	0.4
89.02313	0.3
94.76381	0.2
95.01341	0.2
97.52835	0.2
101.02338	0.8
107.01337	0.3
109.02859	0.9
113.02365	0.4
121.02845	0.4
123.04437	0.4
125.02343	0.6
133.02850	0.3
137.02356	0.3
149.02367	0.4
151.00252	0.3
151.03998	0.3
152.60486	0.2
159.51193	0.2
161.04578	0.2
161.33508	0.3
162.03281	0.2
163.04012	0.4
165.01799	0.3
167.03470	0.5
175.03989	0.3
177.01974	0.5
177.03345	0.6
179.03416	0.3
191.03497	0.4
204.70691	0.3
205.01448	0.4
207.02927	0.4
209.04497	0.5
217.01570	0.3
235.02586	0.4
247.02504	0.4
265.03452	0.3
353.06628	0.3
355.04504	0.3
369.06229	0.3
401.05188	0.7
431.06366	0.3
436.44220	0.3
471.59036	0.3
478.07916	0.3
489.10315	0.4
503.09064	0.3
506.62323	0.3
521.09967	0.8
561.12054	0.3
579.22638	0.4
580.22314	2.6
607.13068	0.4
640.13281	0.4
641.14746	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	640.1517
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52344	0.1
59.01240	1.3
61.98700	100.0
62.98403	0.2
66.87022	0.1
71.01260	0.7
72.99184	0.3
73.02823	0.4
75.00748	0.8
85.02837	0.4
87.00754	0.6
88.98681	0.2
89.02325	0.5
99.00786	0.3
101.02348	0.5
109.02862	0.2
111.00773	0.2
115.00272	0.7
121.02790	0.2
124.17687	0.1
125.02325	0.2
127.03915	0.2
148.00580	0.2
161.02347	0.2
161.04460	0.2
165.05765	0.2
166.99699	0.2
169.12187	0.3
171.10193	0.3
175.02422	1.3
176.02765	0.3
197.11725	1.7
198.12099	0.8
209.08162	0.4
230.48038	0.2
235.13567	0.2
239.13060	0.2
241.14543	0.2
245.11819	0.3
251.87279	0.2
253.09268	0.3
264.13132	0.2
267.06476	0.3
285.13553	0.4
286.13879	0.2
295.06348	0.5
296.06778	0.2
311.05502	0.3
312.06525	0.3
339.05038	0.3
369.06119	1.0
399.07315	0.7
415.10468	0.7
416.11029	0.2
418.11649	0.2
429.07645	0.2
473.11072	0.4
521.22327	1.1
522.22784	2.3
523.22870	0.2
534.23090	0.4
543.21454	0.3
544.21332	0.6
561.21967	0.4
562.22009	0.9
577.15546	2.6
578.16278	0.6
580.23206	0.2
622.24207	0.4
641.25220	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	640.1515
Annotation	Unknow
Peak:m/z	Relative Intensity
57.71697	0.6
59.01239	2.9
61.98700	5.4
69.87867	3.3
71.98582	0.6
76.13036	0.6
107.01228	0.8
109.02818	0.7
133.02827	7.5
163.00272	0.8
163.03903	1.4
165.01790	1.3
173.02368	0.7
174.86221	0.6
175.00229	2.2
175.03873	2.1
191.03401	0.9
199.03896	0.9
201.01846	0.8
211.03876	0.7
255.02861	0.9
255.06725	0.6
265.04810	1.0
267.02802	1.0
269.04419	1.0
281.04602	0.9
284.03241	5.3
285.03964	6.2
297.03970	11.6
298.04785	9.2
299.05563	12.4
300.05865	1.3
309.04031	42.1
310.04327	3.4
311.05658	2.1
324.02811	1.0
327.05066	68.1
328.05441	7.2
339.05124	2.0
340.05301	0.8
341.06873	0.7
357.06107	24.3
358.06375	1.9
368.50259	0.7
369.06094	1.7
369.35992	0.6
395.07419	1.4
413.08774	15.0
414.09116	2.0
473.10907	10.8
474.11176	1.3
577.15564	100.0
578.15887	16.0
632.30975	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.3381
Annotation	Unknow
Peak:m/z	Relative Intensity
54.26250	1.0
55.01745	1.3
57.03316	2.9
58.34248	1.0
59.01245	27.8
61.98704	8.0
63.35021	1.1
70.79279	2.8
71.01248	26.1
71.01624	2.0
72.99190	3.4
73.02812	5.6
78.95789	2.3
79.95586	1.2
80.96394	4.7
81.03342	1.9
81.20750	1.2
83.01256	4.8
83.04900	9.6
85.02808	11.2
85.03218	1.1
85.06467	3.9
87.00756	9.9
88.47099	1.2
89.02303	11.9
91.05412	1.3
95.01260	3.0
95.04922	1.7
96.95880	7.5
97.02840	3.1
97.06474	4.1
99.00760	2.1
101.02317	21.7
109.06480	3.3
111.04371	1.6
111.08043	7.8
111.57645	1.0
113.02320	9.2
116.42252	1.4
119.03395	2.5
119.04929	2.1
121.06528	1.9
123.08088	4.4
125.02372	1.7
125.09612	13.1
127.11194	1.3
133.06496	1.3
135.08034	2.8
137.09630	3.9
145.04999	4.3
151.11218	1.6
152.99490	1.7
161.04449	5.4
167.14407	1.2
171.10172	100.0
172.10553	4.2
183.13817	2.1
185.11803	1.9
187.14827	2.5
189.16383	1.4
193.12181	1.6
197.11803	1.2
203.14319	1.8
205.15912	7.1
207.13904	1.4
209.11801	11.4
211.13336	17.7
215.14391	7.0
216.14836	2.1
221.15445	5.2
231.13872	8.7
233.11806	1.5
233.15410	35.3
234.15794	2.1
235.08209	14.6
247.16963	2.6
249.14931	49.4
250.15355	4.2
251.16487	2.4
253.09258	10.1
271.16803	1.2
291.19522	1.3
309.20761	1.5
313.25272	2.2
323.23651	2.2
331.26321	3.8
339.23178	1.6
341.24731	6.7
357.24533	2.3
359.25879	3.3
367.22733	7.1
368.23309	1.4
375.25464	5.1
376.26068	1.2
377.26883	1.6
385.23801	32.7
386.24191	3.5
403.24863	66.6
404.25348	7.4
407.19370	1.9
421.25946	20.6
422.26474	2.7
477.28473	1.3
485.24109	5.0
489.81860	1.2
495.29922	3.7
512.35944	1.2
611.34338	5.5
621.32697	86.9
622.33044	17.3
639.34106	80.1
640.34521	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	639.2505
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01745	1.2
57.01329	0.9
57.03308	2.9
59.01248	23.9
61.98692	1.3
69.03318	1.2
69.41128	8.2
71.01250	26.7
72.53641	1.0
72.99183	11.7
73.02810	3.4
75.00742	38.9
81.03326	2.3
83.01248	3.6
85.02825	11.7
87.00749	31.6
89.00208	1.0
89.02316	6.4
91.02345	0.9
95.01273	1.6
95.04907	1.4
97.02814	4.2
99.00744	3.1
101.02330	9.9
107.35032	1.1
109.02836	5.1
111.00763	1.8
111.04385	1.5
111.82734	1.0
113.02317	7.4
115.00253	58.5
115.03889	1.8
116.00571	1.9
119.03375	2.5
121.02856	1.0
121.06514	1.0
123.04376	4.7
125.02354	3.0
127.03909	6.8
129.01794	2.0
135.02887	6.8
139.00211	1.2
139.03911	1.2
143.03383	2.0
151.03789	1.7
161.04472	4.1
165.01834	1.2
167.00079	1.0
169.04968	4.5
169.12250	6.0
171.10172	42.1
172.10519	3.0
175.02388	100.0
176.02715	3.0
193.12225	2.6
195.13849	4.1
197.11758	41.5
198.12122	2.4
205.12302	1.4
207.10165	2.5
209.11720	1.9
211.13335	3.1
221.11755	3.2
223.13278	3.5
225.11264	1.9
235.13342	3.0
237.11180	1.2
237.14929	1.9
239.12877	9.2
241.14436	5.2
245.11722	3.0
253.09192	12.0
253.14418	2.5
263.12961	3.2
267.12363	2.3
281.14069	1.4
285.13431	27.1
286.13666	1.4
297.13483	1.6
407.19110	3.1
455.67093	1.3
457.20648	1.8
489.10638	1.5
499.21643	1.7
505.22693	2.2
517.18964	2.4
519.20630	10.3
519.27637	2.1
520.20953	1.4
521.22369	92.8
522.22791	14.2
533.21783	1.8
543.20752	3.0
551.23267	5.4
561.21887	12.8
562.22870	1.8
579.22577	7.1
639.25146	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	638.1359
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27764	1.2
53.13983	1.3
54.40796	1.4
59.01249	14.0
61.98694	6.7
63.16615	1.1
71.01246	6.6
72.99171	2.2
73.02830	2.2
74.98950	1.7
79.43151	1.2
85.02818	1.9
87.00755	2.9
89.02325	2.2
101.02283	2.8
105.01878	1.2
107.01293	2.0
109.02859	7.4
115.00228	4.1
124.86288	1.4
133.02838	14.3
135.02794	1.3
135.04416	1.5
151.00267	3.6
161.02367	2.7
163.00304	3.2
163.03864	2.2
175.02423	6.6
175.03891	5.5
177.01823	2.8
193.01433	2.3
199.03831	2.2
201.01910	4.4
205.14224	1.3
215.12840	2.4
217.04979	1.7
218.99332	4.1
219.02858	2.6
227.03358	1.5
233.04492	5.9
241.04919	2.3
243.03018	1.7
245.00916	4.7
257.04553	19.1
269.04434	1.4
275.05612	12.0
276.05807	1.7
284.03217	2.2
285.04034	100.0
286.04367	9.6
297.04031	26.0
298.04648	7.3
299.05545	6.4
301.03513	60.1
301.08658	1.7
302.03839	2.5
309.04034	7.3
311.02319	2.2
311.05515	8.9
312.05991	1.5
325.03421	5.1
327.05066	24.8
327.08643	2.2
328.05432	3.4
337.03479	12.0
338.04300	2.2
339.05069	6.2
367.04291	1.7
369.05981	1.4
385.05634	4.2
389.25659	6.3
390.25558	2.8
391.27002	1.7
393.06509	2.5
411.07193	88.0
412.07574	10.2
429.08289	1.6
473.11145	7.4
475.26651	3.2
513.37482	1.4
575.14056	32.4
576.14203	4.4
593.31616	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	639.25
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52341	1.0
57.03314	1.6
59.01246	13.0
59.28912	1.1
61.98684	1.5
69.03317	2.2
69.59164	4.4
69.59586	2.6
71.01249	16.4
72.99176	10.5
73.02797	5.4
75.00745	32.4
79.08167	0.9
81.03346	1.6
83.01252	2.2
83.04913	1.2
85.02808	7.9
86.46789	1.1
87.00751	9.9
88.98663	1.3
89.02304	6.7
95.01251	1.9
95.04909	1.9
97.02819	3.7
99.00744	2.0
101.02306	10.1
109.02847	5.3
111.00742	1.2
112.35920	1.0
113.02269	5.5
115.00247	18.9
115.03931	1.5
123.04388	2.5
125.02338	3.6
127.03889	3.0
133.02817	1.2
135.02867	4.9
140.01465	1.1
143.03304	1.1
147.04500	1.1
161.04428	2.0
163.11194	1.4
165.01831	2.4
167.03317	1.5
169.04944	3.3
169.12262	10.1
169.20811	1.0
171.10181	24.9
175.02390	26.1
175.11267	1.8
179.10666	1.0
180.04184	1.5
191.03418	1.1
193.04874	1.4
193.12267	4.9
195.13818	5.6
197.11743	78.0
198.12056	4.4
203.10809	1.0
207.10097	2.9
211.13316	3.2
221.11766	4.5
223.13306	3.4
225.11269	2.5
227.12874	1.2
235.13332	3.1
239.12852	9.9
241.10774	2.5
241.14426	8.8
245.11797	3.2
253.09239	8.9
253.14349	2.4
263.12848	2.7
267.12296	2.3
275.15698	1.1
285.13416	21.6
286.13724	1.7
297.13342	1.6
315.14700	1.3
383.06100	1.3
407.18970	1.9
475.23010	1.2
477.19452	1.8
499.22003	1.5
505.22665	1.6
517.19324	4.8
519.20831	11.6
520.20978	1.5
521.22369	100.0
522.22705	14.9
533.22400	2.0
543.20673	2.8
551.23340	8.1
561.21790	16.1
562.22034	4.6
577.14954	1.3
579.22644	6.1
621.24170	1.3
640.25476	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	638.1361
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01782	0.9
57.03315	1.5
58.89887	1.1
59.01254	13.0
61.98706	8.1
66.01398	0.9
69.54876	6.7
71.01251	4.3
72.99198	1.1
73.02798	2.7
74.98986	1.2
75.00733	1.6
83.01257	1.4
85.02789	2.6
87.00777	2.8
87.04423	1.9
89.02320	2.6
96.95889	1.1
98.19877	1.8
101.02333	3.5
109.02841	4.1
113.02322	1.9
115.00224	2.3
118.24277	1.2
120.01082	1.0
125.02350	1.9
133.02852	15.5
135.04457	1.8
137.34361	1.4
149.02339	1.9
151.00249	2.0
161.02345	1.8
163.00270	2.5
163.03908	2.3
173.02284	1.7
175.00333	1.7
175.02397	3.1
175.03929	4.8
177.01872	1.3
185.11832	1.4
187.03966	1.7
189.05379	1.1
191.03416	1.6
193.01395	1.4
200.01160	1.4
201.01910	3.4
201.11305	1.4
202.99808	1.3
216.36830	1.0
218.99300	4.1
219.02823	1.4
225.05478	1.5
229.05081	1.5
233.04482	3.9
243.15901	2.1
245.00862	5.3
255.02979	2.0
257.04520	12.8
267.03082	1.4
269.04636	1.7
271.06149	2.5
272.06375	1.3
275.05573	8.7
284.03302	4.6
285.04037	75.5
286.04425	5.1
293.04831	1.8
297.04044	34.5
298.04596	8.7
299.05621	10.6
300.05884	1.4
301.03534	43.7
302.04010	3.4
309.04074	23.1
309.07385	2.3
310.04495	2.3
311.02139	1.9
311.05573	10.6
325.03381	5.6
327.05087	46.8
328.05423	3.9
329.23407	1.4
337.03592	12.6
338.04050	2.0
339.05096	5.2
351.05005	3.0
355.04593	2.1
371.24298	2.5
385.05685	1.5
389.25418	14.7
390.25671	8.8
393.06149	4.6
411.07208	100.0
412.07574	11.9
413.09042	1.3
434.11746	2.3
473.10846	9.8
475.27106	9.7
476.27316	4.7
489.10449	3.0
555.48834	1.2
575.14069	18.6
576.14270	2.2
593.31818	5.0
594.32111	1.9
637.35754	2.1
639.27533	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.4179
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01243	2.0
59.12576	0.8
67.05392	1.1
71.04886	3.4
71.51644	1.3
78.95759	4.9
81.73345	0.8
82.06463	1.1
108.93356	1.0
112.02639	1.4
116.07056	37.6
117.05460	1.9
125.03457	2.5
126.05499	1.0
129.10229	8.4
130.08595	3.8
140.07068	5.4
142.83083	0.9
143.11790	2.8
144.10208	27.3
152.97937	0.8
152.99449	3.4
153.10207	3.7
167.08026	1.0
171.00551	2.7
180.10193	2.1
182.10541	6.0
183.11305	2.5
185.16525	2.2
194.11807	4.4
198.11224	3.0
207.14978	2.2
209.09323	2.4
210.14931	6.3
213.00664	0.8
224.08633	0.9
225.16032	72.2
226.16347	4.2
229.15482	2.1
235.14331	0.9
235.40196	0.9
239.10384	1.6
243.17091	1.6
267.20691	2.8
267.91455	0.9
283.16486	1.7
299.23303	1.1
311.19687	1.0
324.22836	1.6
325.21307	100.0
326.21628	8.5
329.20758	3.9
343.22379	9.0
409.23471	1.2
424.28168	5.5
425.28345	1.1
442.29175	20.2
443.29346	2.1
588.18915	1.0
637.26416	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	637.2345
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01746	1.5
57.03311	1.5
59.01252	17.6
62.20777	0.7
66.13213	0.8
70.59762	0.9
71.01251	27.5
71.49950	0.9
72.99177	1.6
73.02814	6.9
75.00747	1.7
83.01261	5.0
85.02823	11.6
87.00748	2.4
89.02309	10.0
95.01257	2.3
97.02881	0.9
99.00755	2.1
99.04403	0.8
101.02320	22.2
103.03907	1.1
113.02325	9.1
118.64960	0.8
119.03374	3.3
125.02348	2.1
127.03872	2.5
129.01833	0.9
143.03392	2.4
159.02882	3.5
161.04466	10.8
179.05516	2.4
238.99774	1.0
243.80368	0.7
269.10291	8.7
271.17194	0.8
274.11145	0.8
307.10181	1.3
330.57147	0.8
334.82205	0.8
415.16055	28.8
415.21588	1.8
416.16367	2.5
428.09134	1.0
577.21356	100.0
578.21741	15.1
637.15533	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	637.3227
Annotation	Unknow
Peak:m/z	Relative Intensity
54.41654	0.7
57.03307	1.9
59.00963	0.9
59.01248	14.4
61.98701	3.4
65.00692	0.6
65.03813	2.6
69.03313	1.5
70.88046	1.0
70.88387	1.4
71.01252	13.1
72.99173	1.4
73.02801	3.2
80.96365	0.9
81.03332	0.8
83.01250	1.2
83.04884	1.1
85.02824	3.4
87.00762	3.8
88.40502	0.7
88.98668	1.7
89.02324	3.7
91.05391	2.0
93.03325	1.2
95.01214	0.9
95.04874	0.9
96.95872	1.2
97.06454	2.5
101.01728	0.6
101.02329	8.2
103.39125	0.7
105.06908	0.9
109.06462	2.4
113.02331	4.4
115.05421	2.5
119.03378	1.2
123.08016	1.5
125.09602	11.7
133.10120	0.7
135.08032	1.6
140.05821	0.6
145.04990	1.7
147.08051	0.7
161.04463	1.8
163.11171	1.3
185.11711	3.3
185.13237	0.9
187.09616	1.6
187.14859	6.7
189.12720	1.1
191.10710	0.8
207.10185	2.0
209.11758	9.4
211.13269	1.7
213.12787	6.3
215.10666	1.2
221.15550	0.9
225.11227	0.8
231.13852	13.4
233.11726	2.2
235.08200	2.9
235.13217	0.9
249.14919	2.9
253.09218	1.4
261.14957	0.9
291.19522	0.8
329.24768	1.2
339.23260	3.3
355.22580	1.2
357.24313	1.5
365.21179	2.3
373.23715	2.3
383.22220	15.3
384.22382	1.9
391.24945	1.3
401.23306	15.1
402.23532	1.8
419.24448	3.8
461.92389	0.7
609.33356	1.0
619.31189	100.0
620.31488	17.5
637.32184	23.6
638.32458	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	637.3716
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	3.8
58.21389	1.3
59.01242	7.8
61.57242	1.6
61.98700	6.9
65.75446	1.7
67.01781	1.6
71.01273	1.7
71.37936	2.5
71.38289	1.9
80.02551	4.5
81.03331	5.1
83.01257	13.3
83.04910	3.2
95.04891	5.4
95.30373	1.4
96.95904	1.8
97.02827	4.1
97.06453	12.6
106.04076	2.6
107.04945	1.9
109.02820	2.0
109.06484	3.5
112.73717	1.7
119.94609	3.0
121.06448	1.9
123.04395	10.0
123.08036	3.6
125.09625	17.3
131.25433	1.8
135.08049	3.6
137.09630	9.4
141.12772	2.6
148.47746	1.5
149.05956	3.3
161.09608	1.7
163.07545	1.8
163.11214	18.9
164.11658	1.9
165.12791	10.2
167.10690	3.4
171.10176	3.3
174.76187	1.4
175.07326	3.3
179.10698	2.3
181.12277	4.2
185.11757	14.2
186.12032	1.7
191.10695	3.8
191.14337	15.6
202.11552	1.5
207.10181	10.0
209.11765	79.6
210.12062	5.4
217.15840	3.0
219.06291	2.5
225.11272	6.2
231.09988	76.8
232.10318	2.9
233.11539	5.5
245.19046	28.6
246.19443	2.2
247.20576	1.9
263.19995	2.1
267.34442	1.6
279.19699	1.9
285.18320	5.8
289.18082	100.0
290.18427	8.4
291.19678	21.7
292.20230	1.8
299.16373	1.8
307.19113	71.1
308.19443	6.8
311.16147	2.1
317.17328	12.0
329.17355	32.3
330.17496	2.6
358.64435	1.9
401.23141	2.9
402.46222	1.6
452.72766	1.8
539.29663	5.2
637.38049	17.5
638.37616	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	635.2915
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88096	0.8
53.93891	0.8
54.45567	0.8
55.59433	0.9
56.91549	0.7
59.01252	6.9
60.99177	14.2
61.98701	3.5
64.97858	0.8
71.01246	3.7
71.50045	1.9
71.67946	0.9
73.02789	1.3
74.02335	1.0
75.84048	0.9
87.00737	1.7
88.00270	3.2
88.98679	100.0
89.02322	10.0
101.02327	2.0
113.02354	1.1
128.03394	1.5
131.03432	0.8
143.04526	2.8
146.73911	0.9
154.84274	0.8
207.96379	1.0
241.36627	0.9
253.09254	1.2
272.08844	0.9
306.07584	4.2
307.08112	1.5
309.20706	1.6
311.22205	2.9
373.28024	0.9
635.32910	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	635.3282
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03307	1.7
59.01249	19.4
60.99154	3.2
61.98688	4.4
69.03333	1.6
69.39075	3.0
69.39500	4.3
71.01256	24.4
72.99171	2.6
73.02811	4.3
75.00690	1.1
78.95770	3.5
81.03320	1.1
83.01254	1.3
84.13759	0.9
85.02804	5.9
87.00755	4.7
87.92854	0.9
88.00265	0.9
88.98170	1.7
88.98682	19.6
89.02315	13.7
95.01283	1.5
95.80055	1.0
96.95901	2.4
97.02834	1.5
101.02325	13.8
107.04963	1.0
111.08013	1.3
113.02328	7.1
115.00179	0.9
119.03381	4.9
123.00706	1.2
125.02325	6.5
127.11196	1.4
142.02740	1.1
161.04472	2.3
165.12689	1.6
167.14273	1.1
171.10281	1.5
179.05547	2.1
183.13777	1.4
185.11728	1.2
191.28510	0.9
195.13794	5.7
205.12279	2.7
211.13353	1.7
216.35561	1.0
220.28972	0.9
249.22234	1.4
273.22293	2.4
275.02664	1.0
291.19608	3.5
291.22849	0.9
293.21210	26.9
294.21454	2.5
295.22794	16.0
296.23001	2.4
309.20776	2.7
311.22269	100.0
312.22574	10.3
313.07071	0.9
317.21246	17.0
318.21655	1.0
335.22275	16.8
336.22595	1.4
346.05444	1.9
347.22128	4.3
353.23331	2.5
359.22345	1.1
365.23288	5.9
383.24402	9.8
397.93039	0.9
401.23380	1.0
413.25421	17.1
414.25803	2.1
437.25305	1.3
455.26709	7.3
456.27423	1.1
473.27536	25.3
474.27408	3.2
635.32800	80.5
636.23279	1.3
636.32971	12.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.1774
Annotation	Unknow
Peak:m/z	Relative Intensity
56.90218	1.9
59.01250	2.5
61.98694	1.7
74.06039	2.1
85.51676	1.8
98.19775	3.9
101.51961	1.8
112.98663	1.7
129.19872	1.9
163.31923	1.7
182.93123	1.8
223.07605	3.4
229.25211	1.9
253.04866	2.1
265.05112	2.1
267.06616	32.9
268.06863	2.4
295.06094	57.7
296.06497	6.8
307.06094	5.9
311.09177	3.7
325.07193	15.3
326.07489	2.7
415.10330	100.0
416.10590	14.4
535.50140	2.2
660.86426	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	634.3011
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02846	4.0
59.01247	2.4
61.64267	0.3
61.98701	0.9
66.03329	0.4
69.27870	0.4
69.28271	2.5
70.02853	0.5
71.01262	1.5
72.00792	1.0
72.99166	0.4
74.01925	0.7
74.02345	11.0
81.04450	0.5
82.02869	1.0
84.04440	0.6
84.27176	0.3
85.02855	0.7
86.02351	4.2
86.05996	0.5
86.98975	1.0
87.05494	2.1
88.03911	0.6
89.02332	0.5
90.00068	1.3
95.02383	0.4
97.03960	0.8
99.05511	9.0
101.02308	0.7
101.07086	1.7
102.05482	1.4
107.06068	0.6
109.03938	1.2
111.05561	0.8
112.03897	1.2
113.02319	0.7
113.03424	0.5
116.01627	0.5
120.01125	0.5
123.05527	1.0
124.03939	0.6
125.03451	1.1
126.01824	0.3
127.04958	1.6
128.03426	26.6
129.03770	0.5
135.05519	2.6
137.07111	0.6
141.06589	2.9
143.04523	35.4
144.04909	0.7
145.06053	1.6
146.04488	3.4
153.06557	2.2
155.08142	0.4
160.00645	10.4
166.09784	1.6
167.04530	2.7
167.08229	1.6
167.36761	0.3
170.03139	0.4
171.04025	0.5
171.07585	0.5
171.10110	0.4
177.03302	3.4
179.04512	6.7
181.06117	1.2
184.10786	0.3
185.05571	1.7
192.07651	1.1
197.05627	1.2
198.08849	0.5
205.03313	0.4
210.08771	7.7
211.09120	0.3
228.09869	0.5
237.14885	0.7
242.07756	1.2
254.07809	7.4
272.08868	14.6
273.09155	0.6
288.06580	5.8
306.07629	100.0
307.07901	6.1
397.13623	0.4
455.80759	0.4
591.33643	1.2
635.29987	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	634.3447
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53000	0.8
55.01746	0.9
57.03325	1.1
58.00452	0.9
59.01254	18.7
61.98717	4.5
68.75134	0.7
71.01254	38.5
71.50287	0.9
71.50708	1.2
72.99156	1.6
73.02824	5.3
74.02335	3.3
78.95779	0.7
83.01236	3.7
85.02824	7.1
86.02352	0.9
87.00739	2.1
88.03915	12.6
89.02327	6.6
95.01259	1.4
96.95889	5.2
99.00758	1.9
99.05499	1.6
101.02331	12.4
105.01810	3.5
111.00764	1.5
113.02335	5.6
113.19468	0.8
115.00262	12.8
115.91949	1.3
116.92754	1.9
118.97987	1.4
119.03371	1.9
123.08054	1.3
125.02320	1.0
128.03413	3.4
129.01819	1.0
135.04477	4.2
135.05380	1.0
143.04530	5.6
144.04906	1.1
161.02345	1.7
161.04451	2.5
171.10097	0.9
175.02429	1.4
179.03362	3.2
179.05627	1.1
210.08763	1.1
233.16643	1.2
254.07825	1.1
257.13040	1.0
267.05054	1.9
272.08847	2.3
292.23019	2.0
293.18777	9.1
294.18625	1.0
306.07764	4.3
307.07861	4.3
308.07440	9.0
309.07584	0.9
310.23895	1.2
335.12393	1.0
338.26968	3.1
356.28000	3.7
357.26514	3.6
367.04340	0.7
437.20557	0.8
473.26590	1.0
518.33307	4.9
519.31653	12.4
520.31927	1.3
572.25494	0.9
573.26624	6.1
590.35785	3.8
591.31659	2.5
607.25519	11.3
608.25854	2.4
616.34149	1.2
634.34491	100.0
635.35211	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	634.1778
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	3.2
71.01260	3.1
71.37189	3.0
73.02789	2.2
75.00742	1.7
81.03312	2.4
83.01262	3.5
97.02805	3.5
107.83602	1.8
109.02826	4.4
113.02354	2.4
119.04898	3.1
122.03577	2.0
123.04462	4.0
125.02296	3.8
134.02364	3.7
135.04413	3.6
137.02336	2.5
139.03935	2.4
145.02850	2.3
149.02336	2.8
150.03099	5.7
151.03883	3.0
160.04068	2.0
163.03888	4.4
165.01854	4.9
167.03421	3.6
174.05441	2.1
177.01909	4.4
177.04178	8.0
179.03404	7.2
180.04176	3.4
191.03387	4.8
195.03076	2.0
200.07101	2.0
205.03764	8.2
207.02921	3.0
209.04462	3.2
210.05185	1.9
221.04564	2.1
222.49931	2.1
235.02527	2.6
237.05812	2.0
239.05380	2.2
267.06558	4.2
279.06683	3.0
280.07877	3.1
281.08191	19.7
282.05444	2.3
283.06189	2.8
295.06183	4.3
297.07516	2.0
307.06113	4.5
309.07678	7.1
310.04398	2.3
310.07520	2.2
311.05496	3.7
312.06332	2.9
321.07352	2.0
323.05325	2.1
337.07242	23.9
349.07452	2.7
367.08160	13.6
368.09842	36.1
376.08081	3.0
394.09283	6.9
424.10413	5.6
443.09756	3.9
447.43103	2.2
454.11469	2.9
455.14517	2.3
457.11490	7.0
473.10849	6.1
487.12576	4.3
488.14224	12.4
494.80872	1.9
496.12668	3.9
507.27310	2.3
514.13629	36.0
515.13568	4.4
544.14587	4.4
577.15564	39.4
578.15814	5.2
578.72754	1.9
593.15222	6.3
616.16486	4.2
633.23364	2.0
634.17767	100.0
635.17926	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	634.141
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	6.0
61.98700	5.0
62.90651	3.2
69.03313	4.2
71.01247	5.1
73.85767	3.6
79.01768	4.9
82.95580	3.4
83.01250	4.0
85.02850	4.7
87.00775	4.9
89.02322	4.1
93.03320	4.2
96.96846	5.6
101.02306	4.0
101.11331	4.1
107.01273	6.1
109.02850	6.6
113.02353	4.8
114.81804	3.9
117.77316	3.5
121.02838	8.0
125.02373	9.1
125.79354	3.8
132.02008	3.5
133.02855	13.1
135.04395	5.5
137.02388	7.9
147.04286	3.6
149.02319	21.2
150.03104	4.8
151.00258	12.6
151.03828	6.8
161.02457	4.1
163.03896	4.5
165.01833	10.2
167.03337	5.2
177.01831	12.8
178.02689	4.0
179.03502	5.6
189.01855	8.3
191.03461	12.4
192.00456	4.0
193.01328	14.8
194.17720	4.0
195.02895	5.0
205.01392	9.2
207.02904	5.2
213.01791	3.8
217.01201	4.2
219.02905	6.0
229.05029	4.6
233.00861	5.6
235.02347	7.3
235.28659	4.6
247.02414	6.1
249.03992	6.9
256.03552	4.1
257.04498	5.0
269.04633	4.8
271.06168	4.8
273.03897	3.9
275.05630	4.3
283.06018	5.3
285.04187	8.0
297.04083	9.5
298.04550	5.1
299.05594	5.7
300.02722	5.2
301.03482	10.2
313.03638	7.9
314.04288	28.6
315.04898	5.4
327.04968	8.8
328.05545	4.5
329.03143	19.4
339.05188	6.6
341.02939	6.1
341.06598	7.1
342.03824	6.9
343.04349	21.3
355.04480	17.4
367.04523	9.2
369.06137	8.1
383.03912	5.0
385.05588	37.3
386.06049	5.1
401.05310	4.7
415.06778	18.2
463.08386	6.4
475.08746	4.8
487.08521	22.7
488.09610	4.8
503.08154	11.3
505.09845	100.0
506.10239	12.7
514.09741	19.5
517.09796	5.9
521.09473	22.4
589.12097	13.3
607.12982	94.5
608.13391	17.2
616.13580	4.4
634.13916	73.7
634.30035	5.0
635.15118	18.3
663.77063	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	633.3124
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	31.9
69.03336	1.7
69.61637	6.8
71.01260	32.3
72.99177	2.7
73.02814	3.8
76.42163	1.2
81.90366	1.2
83.01256	2.4
85.02829	6.4
87.00736	2.5
89.02312	21.2
95.01215	1.5
96.95874	1.4
97.02842	3.1
98.20601	1.3
99.79542	1.7
101.02335	16.3
113.02345	9.4
119.03397	7.3
123.00774	2.2
125.02342	14.0
125.56967	1.5
141.01840	2.1
141.09155	1.9
143.03384	2.7
148.84644	1.3
165.12743	4.8
167.14415	1.8
179.05473	3.8
181.12288	3.4
183.13722	2.2
193.12401	2.4
195.13850	2.8
205.12361	2.3
211.13307	3.4
221.15514	1.4
237.47546	1.2
240.13586	2.3
247.20609	3.0
273.18607	3.1
281.21103	1.9
291.19678	37.6
292.20096	1.9
293.21185	5.9
309.20706	100.0
310.21057	10.0
315.19644	8.1
333.20770	12.0
341.10733	2.1
345.20700	3.8
359.23041	1.5
363.21790	5.1
381.22845	11.5
399.21616	2.7
411.23975	12.8
412.23853	1.4
453.25079	7.4
471.25934	16.7
633.31317	73.1
634.31750	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	633.2764
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01749	3.2
57.03324	20.2
59.01251	21.0
61.98698	2.2
67.01756	2.0
68.99710	1.1
71.01249	19.3
72.99182	4.4
73.02824	4.3
75.00745	2.4
83.01265	14.0
84.02040	2.9
84.41579	1.0
85.02820	100.0
86.03162	1.5
87.00753	3.9
89.02317	7.8
96.95898	3.2
99.00708	1.4
101.02319	14.0
103.03931	1.6
111.00764	39.5
113.02319	5.6
113.57797	1.0
115.00258	1.2
116.92732	1.7
119.02622	1.1
119.03415	3.0
128.03462	2.6
129.01822	75.5
129.05435	2.4
130.02158	2.6
134.06076	1.6
143.03459	1.0
143.04510	2.9
149.04446	2.2
157.21364	1.0
161.04472	6.3
171.10158	8.1
175.02327	1.1
179.05533	2.5
187.02385	4.2
191.05582	1.5
205.03470	66.9
206.03767	2.7
223.04521	6.9
225.11256	2.2
231.27870	1.0
239.71448	1.0
255.11368	1.0
257.12811	2.1
272.08752	1.4
291.19531	1.8
306.07666	7.1
409.22006	1.3
427.23389	21.5
428.23669	3.1
453.24615	1.4
471.25592	4.6
513.22784	1.2
573.23572	1.6
597.24744	1.2
615.25525	5.4
633.26556	18.3
634.26587	1.7
634.35999	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	633.2764
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01749	3.2
57.03324	20.2
59.01251	21.0
61.98698	2.2
67.01756	2.0
68.99710	1.1
71.01249	19.3
72.99182	4.4
73.02824	4.3
75.00745	2.4
83.01265	14.0
84.02040	2.9
84.41579	1.0
85.02820	100.0
86.03162	1.5
87.00753	3.9
89.02317	7.8
96.95898	3.2
99.00708	1.4
101.02319	14.0
103.03931	1.6
111.00764	39.5
113.02319	5.6
113.57797	1.0
115.00258	1.2
116.92732	1.7
119.02622	1.1
119.03415	3.0
128.03462	2.6
129.01822	75.5
129.05435	2.4
130.02158	2.6
134.06076	1.6
143.03459	1.0
143.04510	2.9
149.04446	2.2
157.21364	1.0
161.04472	6.3
171.10158	8.1
175.02327	1.1
179.05533	2.5
187.02385	4.2
191.05582	1.5
205.03470	66.9
206.03767	2.7
223.04521	6.9
225.11256	2.2
231.27870	1.0
239.71448	1.0
255.11368	1.0
257.12811	2.1
272.08752	1.4
291.19531	1.8
306.07666	7.1
409.22006	1.3
427.23389	21.5
428.23669	3.1
453.24615	1.4
471.25592	4.6
513.22784	1.2
573.23572	1.6
597.24744	1.2
615.25525	5.4
633.26556	18.3
634.26587	1.7
634.35999	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	632.286
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61625	0.4
58.02855	5.5
58.99418	0.4
59.01253	3.1
61.98709	2.1
66.03377	0.7
69.41959	2.9
70.02880	0.8
71.01253	2.3
72.00767	1.1
72.99162	0.5
73.02823	0.7
73.44993	0.4
74.02350	11.3
79.95584	0.4
80.94607	0.4
82.02864	1.6
83.01255	0.7
85.02833	1.2
85.03904	0.4
86.02353	4.5
86.98981	0.9
87.00751	0.9
87.05524	3.2
89.02332	1.1
90.00060	1.2
96.95900	5.3
97.03962	0.7
99.05524	9.3
101.02325	1.4
101.07085	1.0
102.05490	1.3
107.06035	0.6
109.03965	1.7
109.07533	0.5
111.05526	0.9
112.03941	1.5
113.02336	0.6
113.03484	0.8
115.00234	0.6
116.01672	1.2
123.05550	0.9
124.03931	1.0
125.03458	1.2
127.05020	1.9
128.03432	27.0
129.03806	0.7
131.04535	0.5
135.05562	2.4
137.07095	0.6
139.03883	0.8
141.06586	2.2
143.04535	38.9
144.01187	0.5
144.04906	1.3
145.06075	1.8
146.04523	3.0
153.06606	2.7
154.35086	0.5
155.08179	0.7
160.00650	10.5
161.00882	0.5
166.09741	1.6
167.04535	3.5
167.08176	1.0
171.04156	0.5
171.07643	0.6
174.01584	0.6
175.02394	0.8
177.03333	4.3
179.04520	8.1
181.06093	0.9
185.05644	1.5
185.60498	0.5
192.07747	0.7
197.05594	1.5
198.86862	0.5
210.08788	8.7
211.09108	0.4
228.10030	0.5
236.67107	0.5
242.07811	0.8
254.07841	9.2
272.08887	15.4
273.09164	0.5
288.06650	5.1
306.07657	100.0
307.07950	6.0
364.33142	0.5
632.28925	1.3
633.24878	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.4941
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28514	2.5
54.92978	2.6
69.56000	18.5
78.95779	4.6
79.47239	2.7
85.95544	3.2
95.27454	3.3
97.75626	2.8
98.20560	4.2
103.29044	2.8
109.06493	3.2
134.18690	3.0
277.21738	100.0
278.22104	8.4
293.12280	2.8
481.67343	3.0
512.57745	3.5
527.81354	3.4
597.20160	3.3
655.30103	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	632.1617
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	41.0
68.01250	1.2
70.10874	3.2
72.99170	3.9
119.04903	4.8
121.11928	1.2
147.04410	100.0
148.04782	4.5
149.07555	1.3
161.04413	1.6
165.05469	79.6
166.05824	3.6
177.97363	1.2
207.06552	56.7
207.08533	2.9
208.06914	3.6
213.33714	1.1
230.06587	2.2
249.25461	1.1
301.17993	1.2
348.88849	1.4
477.48276	1.3
572.58313	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	632.2856
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02850	5.1
60.55585	0.3
61.51798	0.3
61.98693	1.2
65.97978	0.3
66.03355	0.7
69.80104	1.8
70.02850	0.5
72.00787	0.8
74.02341	10.5
76.95287	0.3
81.04428	0.5
82.02853	1.3
84.04374	0.4
86.02350	4.4
86.05980	0.8
86.98956	0.5
87.05511	2.7
90.00059	1.0
96.04422	0.4
97.03937	1.2
98.19926	0.5
99.05513	9.7
101.07081	1.3
102.05474	1.4
106.27732	0.3
107.06050	0.5
109.03934	0.8
111.05519	0.9
112.03909	1.6
113.03452	0.5
113.07094	0.4
116.01659	1.1
123.05508	0.8
124.03935	0.3
125.03445	1.3
126.01832	0.5
127.05035	2.1
128.03423	27.4
129.03770	0.7
131.04503	0.7
135.05556	2.5
139.53026	0.3
141.06592	2.3
143.04523	38.0
144.01306	0.3
144.04836	1.3
145.06117	1.4
146.04471	3.3
147.81693	0.3
149.07100	0.6
153.06587	2.6
160.00641	10.1
166.09753	1.3
167.04489	2.8
167.08113	1.8
171.04088	0.4
171.07571	0.6
177.03293	4.2
179.04539	7.6
180.07654	0.3
181.06131	1.2
184.10794	0.5
185.05591	1.5
192.07718	0.8
197.05646	1.1
210.08772	7.9
231.04338	0.5
236.06577	0.3
242.07660	0.8
254.07782	8.9
255.08090	0.5
272.08859	16.7
288.06589	6.2
306.07623	100.0
307.07889	6.3
320.07281	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	630.2703
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02847	5.5
60.90008	2.0
61.98694	18.9
67.79650	1.9
70.66235	1.9
70.68086	2.0
71.01245	2.4
71.51185	2.4
71.51576	3.4
73.14413	2.1
74.02338	11.4
86.02347	4.7
99.05516	7.9
105.54430	2.6
109.07620	2.4
111.43285	2.2
112.46658	2.3
128.03418	23.8
140.63892	2.5
143.04518	35.9
146.04468	3.4
153.06581	2.7
160.00656	9.2
167.04495	3.3
177.03392	3.9
179.04489	8.1
210.08742	5.5
254.07928	11.1
272.08847	16.4
288.06647	5.1
306.07654	100.0
307.07904	6.9
329.20602	2.3
452.83850	2.4
631.57465	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	631.3484
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	0.2
59.01248	100.0
60.01585	0.9
61.98690	1.0
69.34724	1.6
69.83723	0.2
71.01251	0.9
85.02831	0.5
87.00761	0.8
98.19764	0.2
99.00750	0.2
101.02337	0.3
113.02336	0.7
124.20856	0.1
129.30357	0.2
141.55205	0.2
161.04500	0.3
339.23291	0.4
365.43973	0.2
366.01105	0.2
394.15384	0.4
395.25943	0.4
397.27444	1.5
407.41504	0.2
422.25558	0.2
429.26416	1.4
439.29385	0.2
441.26535	0.2
451.23038	0.2
508.15536	0.3
541.31750	0.3
571.32794	2.7
572.33112	0.4
631.34546	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.2844
Annotation	Aglaforbesin A
Peak:m/z	Relative Intensity
50.49262	0.4
51.15007	0.5
56.08545	0.4
57.03330	0.5
59.01252	3.5
61.98702	4.4
63.96095	1.3
63.99098	0.5
68.94465	0.4
69.03320	0.6
71.01252	6.8
71.50672	0.6
72.99172	0.6
73.02811	1.5
74.02351	0.9
75.00758	0.6
75.66872	0.5
77.04766	0.4
78.14037	0.4
78.95748	0.8
78.98452	4.9
79.95598	9.6
80.96387	48.2
83.01247	0.5
85.02822	2.4
87.00732	2.6
89.02327	0.6
94.97318	0.7
94.97954	12.1
96.95891	1.9
97.02820	1.0
99.00752	0.8
101.02348	2.4
106.97949	2.8
113.02294	0.7
114.48734	0.5
122.97462	3.0
125.02368	2.4
127.03940	0.7
128.03400	2.1
134.97470	4.0
136.98994	0.8
143.04518	2.2
145.76813	0.4
148.99034	3.6
152.98534	4.7
159.99260	0.5
160.00563	0.7
160.99095	0.5
161.02382	1.2
164.98552	9.5
165.05403	0.8
167.00130	0.7
175.02351	0.7
176.04698	1.0
179.03374	2.2
191.06976	0.6
194.05763	1.4
195.06461	1.5
206.99599	1.9
209.08109	5.3
210.08708	0.7
211.13301	1.3
225.00697	16.9
229.14522	0.8
254.07735	0.6
259.46136	0.6
272.08841	1.1
299.04416	2.4
306.07562	6.8
329.23264	1.0
510.10345	0.5
529.19666	0.8
606.09082	0.5
629.28430	100.0
630.28772	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	629.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	3.0
59.01249	100.0
60.38950	2.1
61.98684	4.3
68.56973	2.0
71.01254	13.0
71.50196	3.1
73.02821	3.3
79.82639	2.2
81.03323	2.5
81.98689	2.1
83.01258	3.2
85.02820	8.0
93.03383	2.5
97.02801	4.0
101.02326	11.1
104.93334	2.1
109.02871	2.4
113.02330	4.3
115.00242	4.8
116.69370	2.1
123.04418	3.3
125.02315	4.9
134.63214	2.4
138.56526	2.8
149.02306	2.9
151.03842	3.0
153.01808	3.6
161.04472	6.0
162.60681	2.2
167.03413	4.2
171.10114	3.2
175.02422	5.6
177.01851	2.8
191.03484	2.3
193.01312	2.4
207.09953	2.2
211.04819	2.2
235.02275	3.3
248.60539	2.4
260.06140	2.4
269.10199	9.0
278.39212	2.3
281.08151	4.0
311.11359	5.4
337.07144	4.3
339.07669	3.6
359.07169	2.6
397.13751	3.1
451.13245	5.2
479.11099	3.9
489.11078	3.5
579.15961	15.2
595.15552	4.4
612.15826	3.0
629.16486	12.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	628.2244
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	100.0
63.11810	5.4
70.98808	13.4
71.01241	30.3
73.02819	16.0
83.01270	10.9
85.02803	8.9
88.51950	5.2
89.02316	15.1
93.03324	6.6
99.00716	5.8
101.02324	22.4
111.00716	8.8
113.02321	13.3
113.14297	6.0
125.02392	7.7
131.39888	6.7
149.04460	7.9
153.01859	9.3
154.42149	5.9
161.04413	11.4
205.01436	8.9
222.53720	6.7
229.14412	17.2
230.14830	8.0
235.00162	6.3
244.36554	5.9
338.73199	5.9
473.90024	6.3
551.84186	7.6
629.14996	11.4
653.60138	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	628.2797
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	2.8
71.01241	1.3
71.52566	1.1
73.02806	1.2
78.52829	0.7
79.95605	3.7
80.96384	24.2
84.78753	0.7
95.95106	1.3
96.95886	100.0
97.02862	1.0
105.01842	1.1
106.02873	22.2
124.64135	0.7
176.98555	4.4
185.98587	18.8
188.00150	9.4
242.75285	0.9
279.23257	5.9
293.24829	4.3
321.24350	1.3
364.79974	0.8
628.27942	48.3
629.28302	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	629.128
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83178	1.7
54.03033	2.0
59.01246	7.4
61.98684	6.9
71.01237	4.1
72.14715	1.7
72.35694	1.9
76.41868	2.0
77.52385	2.1
81.61258	1.9
83.01258	3.0
85.02814	2.4
89.02296	4.9
98.19846	3.3
101.02327	5.3
109.02822	4.3
113.02318	3.0
118.71848	2.0
121.63163	1.6
125.02313	3.2
133.02835	7.4
150.03145	2.7
151.02618	4.1
151.03859	2.2
171.10168	4.3
177.01839	2.0
179.03465	2.1
181.39523	2.0
193.03513	2.3
195.06598	2.9
297.03906	2.5
298.04767	7.8
299.05472	3.8
309.04019	2.7
311.05554	6.0
312.06488	5.3
313.07086	8.4
327.05136	4.9
339.05032	9.8
340.05588	2.4
341.06638	6.3
353.06592	2.7
367.12534	3.1
369.06094	50.0
370.06491	7.3
381.06326	6.1
397.13483	2.4
399.07190	43.9
400.07355	5.7
411.07031	2.5
429.08328	6.9
453.14819	2.5
465.83716	2.1
471.09302	2.5
473.10822	3.7
489.10303	10.7
569.24780	3.8
593.15131	100.0
594.15491	16.3
657.08234	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	628.1707
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02572	2.2
59.01242	6.0
63.83159	2.3
64.58612	2.4
70.64755	3.4
70.65102	4.8
71.01246	7.3
71.65285	2.1
83.51309	2.1
85.01038	3.0
89.02327	10.9
91.34237	2.2
113.00550	100.0
149.04424	4.1
176.07091	55.5
344.53366	2.4
344.90408	2.2
470.16626	42.5
471.16733	4.8
480.62372	2.2
514.15881	6.4
548.14404	63.5
549.14307	10.9
628.16858	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	627.3235
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	1.1
57.03321	1.8
58.00478	1.4
59.01248	24.0
61.98698	4.0
65.96320	0.5
69.52013	0.6
71.00857	1.0
71.01251	20.9
71.06017	1.2
71.29517	0.6
72.99174	2.8
73.02824	4.6
73.15842	0.5
75.00756	1.9
77.15631	0.6
78.00439	0.5
78.95759	0.6
80.96399	3.8
81.03323	1.1
83.01247	5.0
85.02821	8.9
85.99948	0.7
87.00751	2.4
88.98672	1.6
89.02311	9.6
94.97981	1.0
95.01276	1.8
95.44946	0.6
97.02811	1.6
99.00756	1.6
101.02321	16.3
102.02680	0.6
109.02843	1.1
111.00750	1.3
113.02334	6.9
116.92734	0.8
119.03390	3.3
119.04961	0.6
121.02847	0.9
122.78176	0.5
123.00783	0.8
125.02335	2.6
127.41877	0.6
129.01816	0.7
134.73083	0.5
134.97517	0.7
137.02328	1.4
139.00269	0.9
149.02315	1.1
151.02513	1.4
153.01823	1.1
154.02618	1.0
161.04475	1.5
163.00279	0.9
163.03906	0.7
164.98558	0.7
165.01840	0.9
167.03444	1.3
179.03430	0.6
182.02142	1.9
183.02902	1.1
193.01378	2.6
194.97534	0.7
207.02925	1.1
217.01535	0.7
249.30661	0.7
257.21216	0.8
268.91943	0.7
280.20767	0.6
283.06573	1.1
287.22324	0.9
303.21667	1.5
345.08145	1.6
373.07843	2.2
394.05197	0.7
447.09378	1.3
447.26172	4.2
465.10532	1.4
465.26959	18.9
466.27600	2.1
493.12564	1.0
507.11334	0.7
563.17694	0.7
627.32465	100.0
628.32898	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	627.2786
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22480	0.7
70.98250	1.4
78.95776	42.5
80.96378	0.8
87.04013	0.7
96.27805	0.6
96.96843	7.4
100.66275	0.7
113.09593	1.3
115.07532	1.4
129.60416	0.8
152.99496	32.5
167.14330	3.9
183.13800	2.9
195.13814	14.7
196.14197	1.1
199.13255	0.8
211.13319	2.5
213.14806	0.9
223.00076	3.5
241.01120	20.1
242.01578	1.0
242.15132	1.4
243.04330	0.9
249.90829	0.8
259.02197	1.4
260.21152	0.8
286.69925	1.0
293.21231	11.4
308.84171	0.8
311.22272	64.6
312.22656	6.9
315.04947	3.9
333.05905	1.8
466.68600	0.8
627.27875	100.0
628.28174	17.0
628.37708	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	627.2787
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03317	1.4
59.01240	4.5
60.13039	0.7
61.98677	1.8
69.03298	0.9
70.25945	1.4
70.26324	3.2
71.01246	3.2
73.02807	1.5
73.49886	0.7
78.95774	61.1
85.02814	1.1
96.95897	0.8
96.96841	12.6
100.41001	0.8
101.02327	1.4
113.02251	1.2
113.09591	1.0
115.07532	0.9
125.09592	1.2
136.99092	0.9
143.04498	0.8
152.99487	35.8
167.14320	3.5
181.12230	1.0
183.13768	2.8
195.13832	13.3
197.11774	2.1
211.13307	2.8
213.14870	1.4
223.00056	2.0
241.01137	31.3
242.01479	1.0
253.09372	0.9
259.02301	1.1
267.23392	0.9
273.40338	0.7
293.21198	7.3
297.12421	2.4
311.22247	54.9
312.22574	4.9
315.04840	3.2
323.10385	3.5
447.21552	9.2
627.27759	100.0
628.28058	16.5
628.37750	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.2783
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39719	0.5
57.03324	0.7
59.01246	1.7
61.98688	0.7
70.98358	1.2
71.01257	0.6
78.68293	0.5
78.95773	56.0
87.00782	0.6
96.95930	0.6
96.96842	10.6
99.08039	1.1
113.09586	1.6
127.07500	0.7
128.08345	0.6
129.09097	2.1
150.97911	0.7
151.11218	0.7
151.37691	0.5
152.99484	51.5
153.12718	0.8
153.99796	1.1
163.11282	0.6
167.14314	2.3
169.12218	1.1
171.00514	1.2
171.10274	0.8
181.12236	1.5
183.13776	1.6
193.12325	1.0
195.13844	6.5
196.14211	0.7
197.11768	4.6
199.13272	3.5
209.11800	0.9
211.13351	7.7
212.13643	0.8
213.14894	0.7
223.00089	5.2
231.71596	0.5
241.01154	25.0
242.01437	0.8
249.22177	0.7
259.02255	1.7
262.51257	0.5
267.23386	0.8
275.20270	0.7
293.21198	9.5
294.21530	0.9
309.20761	0.7
311.22275	49.6
312.22620	5.2
315.04865	6.8
333.05936	1.0
404.53549	0.6
627.27838	100.0
628.28101	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	627.2684
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71605	0.5
55.77272	0.6
57.03326	0.9
59.01256	4.3
61.98682	1.7
62.38169	0.6
63.96103	0.8
69.03326	0.6
69.63263	2.7
71.01249	7.7
72.99195	1.1
73.02811	2.8
78.95751	0.6
78.98472	5.4
79.95604	13.3
80.96390	58.3
85.02815	3.6
87.00757	3.5
94.97952	12.0
96.95885	1.4
97.02814	1.6
101.02340	2.8
105.91033	0.6
106.97993	3.2
113.02333	1.3
122.97449	2.6
125.02320	2.9
127.03893	1.7
134.97478	4.5
136.99013	1.1
148.99045	6.9
152.98515	6.4
152.99561	0.8
164.98543	13.5
167.00250	0.7
183.13811	1.6
184.14127	1.1
188.98611	0.7
206.99542	2.1
211.13403	1.0
225.00703	21.2
229.14398	3.6
243.01846	0.7
299.04321	3.4
557.19305	0.9
627.26910	100.0
628.17279	1.2
628.27234	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	627.2689
Annotation	Elliptifoline
Peak:m/z	Relative Intensity
57.03308	0.6
59.01250	3.4
61.98695	3.6
62.32194	0.4
63.96112	1.1
69.03329	0.7
69.97617	0.8
69.98011	1.2
71.01253	9.6
72.99169	0.9
73.02827	2.6
78.98471	4.5
79.95603	12.3
80.96388	57.5
81.03334	0.7
82.79316	0.4
83.01254	0.6
83.69069	0.4
85.02818	3.5
87.00750	2.7
88.98666	1.0
89.02325	1.0
94.97962	13.9
95.01276	0.6
96.95930	0.9
97.02840	1.4
99.00761	1.0
99.04402	0.5
101.02306	3.7
106.97956	2.7
113.02339	1.0
119.03391	0.5
122.97462	4.7
125.02332	2.8
127.03917	0.8
134.97482	4.1
135.04385	0.5
136.99026	1.1
143.03450	0.5
148.99051	4.9
152.07079	0.5
152.98529	6.8
161.04475	0.6
164.98532	11.2
171.10144	0.8
174.01570	0.6
175.02359	0.6
180.00369	0.4
182.99582	2.4
206.99600	2.8
211.13351	0.7
225.00697	19.9
226.01118	0.5
229.14420	0.6
243.01758	1.6
299.04303	2.6
465.24832	0.5
533.62061	0.4
545.13031	0.8
557.19220	0.5
627.26843	100.0
628.27246	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	627.2095
Annotation	Chlorophyllide b
Peak:m/z	Relative Intensity
64.10490	0.7
70.53180	0.9
70.53493	1.5
167.27127	0.7
201.15787	0.8
210.74226	0.8
266.22177	0.9
438.13168	1.9
441.88803	0.8
450.14059	0.9
452.15027	4.3
453.15384	1.1
466.16483	1.5
481.15024	9.9
481.44937	1.1
482.15527	3.0
488.56586	0.8
493.15082	1.5
495.16776	17.9
496.17062	4.4
508.17514	2.3
509.18060	1.7
512.13226	1.9
522.15564	1.1
523.16223	0.8
526.15222	1.4
532.90906	0.9
535.16309	2.4
536.16608	3.7
539.15570	1.0
540.17346	4.5
551.19385	44.1
552.19543	12.6
554.17499	1.3
555.18451	1.4
567.18646	1.1
572.15222	3.7
586.17188	2.0
595.18475	9.7
596.18488	1.9
627.20929	100.0
628.21228	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	627.2291
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00342	2.1
59.01248	69.1
61.98709	2.0
62.74650	2.1
70.24508	8.3
93.13061	2.1
96.74396	1.9
98.20264	3.7
108.42381	2.3
110.42127	2.3
110.98676	2.2
121.02807	2.4
122.03603	6.0
130.07292	2.0
137.01114	2.1
149.02345	23.8
150.03122	53.2
150.04311	2.6
151.03526	2.1
161.02382	4.0
164.04643	10.1
165.05470	71.5
166.05797	4.1
169.23262	2.1
176.04730	2.6
176.83476	1.9
179.03429	9.5
180.04121	5.7
186.82318	2.0
194.05766	9.0
195.06549	100.0
196.06941	5.4
209.08131	40.7
291.17630	2.2
299.96506	2.0
342.11060	4.1
357.13431	48.7
358.13708	5.0
367.12204	2.1
387.14502	2.2
405.15549	34.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.2688
Annotation	Elliptifoline
Peak:m/z	Relative Intensity
51.29000	0.3
55.06240	0.3
57.03318	0.5
59.01249	5.1
61.98709	3.0
63.96112	1.0
69.03337	0.4
71.01253	7.9
71.34196	0.6
72.99185	0.7
73.02843	2.1
78.95772	1.2
78.98463	4.7
79.95128	0.5
79.95602	13.1
80.96388	54.2
81.03341	0.9
83.01270	0.5
83.04890	0.3
85.02818	3.3
87.00756	2.6
87.70061	0.3
88.30055	0.4
89.02318	1.2
94.97963	13.3
94.98583	0.7
95.01216	0.4
96.95885	1.5
97.02828	1.1
99.00757	1.4
101.02329	3.5
106.97941	2.6
113.02332	1.6
119.03476	0.4
120.99570	0.5
122.97503	2.8
125.02351	2.6
127.03902	0.4
134.05870	0.4
134.97469	3.9
136.99045	1.2
148.99048	5.0
151.07623	0.6
152.98526	4.8
161.04477	0.8
164.98538	11.0
169.02852	0.3
176.07108	0.6
176.44127	0.4
176.98595	0.4
185.11716	0.6
188.98703	0.4
194.05658	0.4
197.11694	0.5
206.99596	2.8
209.11746	2.3
225.00691	19.7
226.00873	0.7
241.00340	0.4
268.86044	0.4
279.83456	0.3
299.04355	2.5
306.07816	0.3
337.03494	0.6
416.10037	0.6
417.15588	0.5
444.41925	0.4
497.17062	0.8
527.17871	2.8
528.18115	0.5
543.61548	0.4
583.25201	0.5
609.25739	0.6
627.26849	100.0
628.27197	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	627.193
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01237	21.3
66.28965	4.9
69.37829	39.6
71.01245	15.3
73.02814	7.3
80.23046	4.5
82.86760	5.0
87.00745	29.3
91.01768	9.1
96.10458	4.5
99.00763	7.2
103.96677	5.3
109.02876	12.3
111.00768	9.8
112.98655	5.6
113.74757	6.1
121.41724	5.5
123.00753	10.7
135.00769	33.4
137.02339	10.0
138.69327	5.9
143.20705	5.2
153.01860	43.6
165.01859	70.1
167.33203	5.7
173.00826	13.3
179.03470	30.3
180.04187	57.3
181.04912	9.2
188.61290	5.7
194.05910	8.9
195.02925	6.4
195.06563	73.5
201.05623	7.6
201.07654	6.2
205.01404	5.8
209.08069	9.4
210.05251	14.8
211.06018	7.9
225.07605	68.9
249.07634	7.3
259.06039	5.8
261.03870	5.2
277.07101	16.3
297.06094	41.9
337.09256	61.7
391.69644	5.3
405.11841	36.8
491.15421	22.6
507.10812	7.6
563.17816	6.1
581.03107	5.5
609.18048	23.4
610.18768	7.7
627.19501	100.0
628.19501	18.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.1564
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16696	3.2
69.18754	20.3
69.19173	14.7
71.01242	7.5
81.03323	4.7
83.01245	12.7
95.04922	5.2
97.02838	8.6
99.04415	4.4
107.01255	3.6
109.02841	8.6
117.03346	4.6
121.02837	10.8
123.00763	4.3
123.04381	14.4
125.02381	17.4
133.02834	5.5
135.04396	8.0
137.02315	13.3
139.03906	4.8
149.02350	10.0
150.03157	4.3
151.03854	9.3
153.01814	8.1
163.03882	7.8
165.01802	8.4
167.03397	24.4
175.03902	7.5
177.01865	10.2
179.03395	20.6
180.04204	5.0
181.05038	3.8
191.03462	14.1
193.01289	8.0
193.04999	4.0
195.02934	11.3
201.05502	3.5
203.03374	5.3
204.03928	4.4
204.69856	4.3
205.01361	8.0
207.02919	15.8
209.04492	54.2
219.02939	14.7
221.00960	6.8
221.04256	4.4
223.02536	10.5
225.03827	4.1
235.02481	13.7
239.05531	15.7
247.02438	6.2
249.03931	8.8
251.01920	6.6
263.01849	4.9
265.03418	7.2
271.06055	8.8
281.08105	17.7
281.10764	3.5
283.06012	4.5
285.07761	6.0
290.45071	4.1
295.06030	7.2
297.07703	4.0
299.05582	5.1
309.07498	4.4
311.05515	6.1
313.07117	9.5
323.05603	4.5
325.07019	8.6
329.08841	10.3
337.07306	34.7
341.06570	13.7
349.07050	4.6
353.06628	17.0
355.06839	6.5
357.05872	5.3
367.08035	19.3
369.06100	16.0
370.06750	4.9
371.07324	6.1
382.95267	3.7
383.07336	7.8
387.07230	12.6
399.06967	8.3
413.08368	4.0
449.13190	26.5
457.11392	12.9
461.10962	7.7
477.10428	22.7
487.11386	23.4
489.10431	29.6
490.11169	22.1
491.11752	8.9
507.11264	13.1
553.15259	7.2
577.15619	100.0
578.15924	13.9
581.14368	4.7
593.14996	14.6
609.14270	13.3
610.15265	30.1
627.15631	54.9
628.15680	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	626.2454
Annotation	Unknow
Peak:m/z	Relative Intensity
58.13624	1.6
59.01250	25.6
60.86134	1.3
61.98702	100.0
69.28009	16.3
123.33336	1.5
151.76091	1.6
156.62411	1.7
167.25897	1.6
169.31023	1.5
182.77448	1.4
211.22774	1.5
315.19507	5.4
425.41666	1.7
454.47150	1.7
519.26056	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	626.2638
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00460	0.5
59.01248	3.1
71.01241	1.7
71.31624	1.4
72.82488	0.5
72.99176	0.8
73.02805	1.0
76.00826	0.5
78.95778	0.9
79.95612	3.6
80.96387	24.8
80.96864	1.3
95.95096	0.8
96.95885	100.0
97.02808	0.7
97.70592	0.5
106.02866	22.6
136.30341	0.5
152.99496	1.1
176.57922	0.7
176.98567	3.9
185.96982	1.2
185.98584	16.0
188.00145	8.8
258.45023	0.6
277.21637	3.6
291.23267	2.5
419.50302	0.6
425.42221	0.6
626.26367	49.1
627.26672	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	626.2297
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59954	13.5
59.01257	100.0
61.98703	99.9
67.38850	14.2
69.90689	27.5
69.91105	51.6
70.25229	13.8
71.01262	95.4
73.02827	33.3
78.95791	17.4
83.01249	20.2
85.02859	38.2
92.61009	17.3
96.44479	14.3
99.00731	18.3
101.02302	50.9
113.02337	41.4
128.42108	16.1
139.43532	15.8
152.31036	14.2
161.04507	40.7
188.85986	15.9
376.93845	18.9
450.66122	18.9
459.22357	34.7
477.23349	83.8
519.24133	88.5
520.24640	22.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	626.1722
Annotation	Unknow
Peak:m/z	Relative Intensity
54.53963	0.2
57.03332	0.2
59.01256	1.6
61.98698	100.0
62.98426	0.2
71.01255	1.1
71.50330	0.3
73.02814	0.5
75.29779	0.2
78.95776	0.7
78.98466	0.2
79.95602	0.6
80.96387	3.3
82.95975	0.3
85.02820	0.9
87.00758	0.5
89.02335	0.4
94.97973	0.8
96.95912	0.3
96.96871	0.3
97.02856	0.2
98.64751	0.2
101.02345	0.5
102.80341	0.2
113.02368	0.3
119.03526	0.2
122.03593	0.2
125.02339	0.3
148.76712	0.2
148.99031	0.3
161.04532	0.3
164.98590	0.6
168.22041	0.2
174.01749	0.3
175.02478	0.3
225.00760	0.9
295.83871	0.2
369.06342	0.4
377.28333	0.3
459.10175	0.2
511.18588	0.2
514.10120	0.7
600.13977	0.3
625.24994	1.2
626.25507	3.2
627.26862	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	626.136
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00960	0.6
59.01250	11.2
60.01572	0.9
61.98703	2.2
65.45456	0.2
69.17877	1.1
69.18304	1.5
71.01244	1.7
72.99170	0.5
81.03296	0.4
85.02846	0.4
88.98692	0.3
89.02334	0.5
93.03340	0.3
94.80797	0.3
95.01232	0.3
95.16811	0.2
97.02818	0.4
101.02327	0.6
107.99971	0.3
109.02842	1.1
111.00767	0.3
113.02325	0.5
123.04437	0.3
125.02325	1.1
129.67543	0.3
133.02844	4.6
134.03604	0.4
135.04422	0.9
149.02342	1.0
151.03903	0.6
155.64981	0.3
161.02374	1.4
161.04474	0.4
163.03923	0.6
164.04684	0.4
165.01811	0.3
167.03329	0.3
175.02460	0.6
175.03897	1.5
176.04752	0.6
177.01848	1.2
177.05418	0.8
179.03391	2.1
179.05672	0.3
179.07065	0.6
180.03827	0.4
187.04030	0.4
189.01863	0.4
189.05421	0.3
191.03461	0.9
191.07024	0.4
193.04991	0.7
194.05740	1.4
195.06186	0.5
201.01910	0.6
203.03381	0.7
205.01414	0.8
205.05049	0.5
209.08154	5.8
209.11713	1.1
210.08508	2.7
210.11890	0.4
213.05428	0.5
217.04962	0.4
225.05336	0.3
227.03442	0.4
228.13286	0.3
233.04527	0.5
245.04713	0.3
253.04910	0.5
255.06612	0.4
255.11331	0.3
265.05237	0.3
267.06482	0.6
269.04504	0.4
283.06152	0.7
285.04111	0.6
297.03970	1.5
298.04852	4.3
299.05502	1.9
309.04041	0.6
310.04776	0.6
311.05621	4.5
312.06400	5.8
313.07175	5.3
323.05521	1.3
325.07141	0.6
327.04956	2.6
329.27896	0.3
339.05057	6.6
340.05365	0.6
341.06689	2.9
344.05453	1.1
351.05057	0.5
353.06747	1.7
357.06122	1.0
367.04428	0.4
369.06128	21.2
370.06537	2.5
371.07718	0.6
381.06085	3.3
399.07184	22.4
400.07413	2.2
411.07217	2.7
413.09015	0.6
423.07169	0.8
429.08267	4.1
430.08847	0.3
441.08301	3.1
459.09286	10.3
460.09863	1.4
471.09216	0.5
473.10925	3.1
474.11292	0.4
489.10556	1.7
490.10809	0.4
503.12015	1.4
545.12958	1.1
546.13110	0.6
563.14050	100.0
564.14374	15.6
625.31085	0.3
626.23260	0.7
627.15253	0.3
643.88232	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.3075
Annotation	Unknow
Peak:m/z	Relative Intensity
53.24785	0.6
55.01759	1.1
57.03324	1.3
58.00455	1.3
58.18417	0.6
59.01249	29.4
61.98691	2.9
67.01716	0.6
69.52361	1.8
69.52785	3.4
71.01253	21.1
72.99182	3.0
73.02813	4.0
75.00714	1.2
80.96369	1.0
83.01229	3.2
85.02829	7.3
87.00732	3.1
89.02315	9.7
93.03285	0.7
95.01250	2.3
97.02811	0.8
99.00733	1.7
101.02319	14.0
109.23510	0.7
111.00753	1.0
113.02322	7.9
119.03355	3.3
125.02325	0.8
131.03432	0.7
131.71851	0.6
141.01848	0.7
143.03328	1.1
145.06485	0.8
149.02341	0.9
153.01872	0.9
159.02861	0.8
161.04434	1.2
175.02409	1.3
179.03383	1.0
179.05499	1.2
193.01357	0.8
194.05682	1.1
199.13339	0.8
209.08202	5.0
209.11745	1.0
227.12776	1.7
301.20197	2.8
379.04630	0.8
397.13379	0.8
411.07208	1.2
445.24539	3.0
463.25476	19.3
464.25821	2.6
503.09219	0.7
562.13062	1.1
625.30756	100.0
626.31067	17.1
641.68958	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	626.1358
Annotation	Unknow
Peak:m/z	Relative Intensity
54.47997	2.0
59.01228	5.5
60.63757	1.9
62.32217	2.2
71.01263	3.9
83.01254	2.2
93.03335	2.9
107.01228	2.3
107.04899	2.5
109.02846	3.4
121.02836	4.9
125.02328	25.6
130.41899	1.9
133.02820	8.1
135.04411	2.4
149.02341	29.9
151.00290	10.0
151.03897	3.7
165.05345	2.6
177.01871	2.3
179.03508	3.1
189.01958	2.9
191.03348	2.4
192.00558	7.3
193.01360	59.2
229.14395	13.2
230.23456	2.5
297.04077	2.1
298.04800	5.5
299.05316	3.0
301.03351	3.0
309.03986	2.2
311.05563	6.3
312.06302	6.1
313.07040	4.7
327.05170	6.5
335.77377	2.1
339.04807	9.5
341.06512	4.0
369.06058	36.3
370.06415	4.1
381.06122	6.1
387.07434	2.2
399.07214	33.4
400.07574	4.7
411.07123	3.8
429.08191	8.6
430.08673	2.4
433.13837	2.4
434.46017	2.1
455.10236	3.1
459.08954	3.7
473.10791	11.3
501.12466	4.7
503.12350	2.5
533.03583	1.9
563.14001	100.0
564.14441	18.2
626.13892	4.7
635.16412	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	625.3075
Annotation	Unknow
Peak:m/z	Relative Intensity
53.24785	0.6
55.01759	1.1
57.03324	1.3
58.00455	1.3
58.18417	0.6
59.01249	29.4
61.98691	2.9
67.01716	0.6
69.52361	1.8
69.52785	3.4
71.01253	21.1
72.99182	3.0
73.02813	4.0
75.00714	1.2
80.96369	1.0
83.01229	3.2
85.02829	7.3
87.00732	3.1
89.02315	9.7
93.03285	0.7
95.01250	2.3
97.02811	0.8
99.00733	1.7
101.02319	14.0
109.23510	0.7
111.00753	1.0
113.02322	7.9
119.03355	3.3
125.02325	0.8
131.03432	0.7
131.71851	0.6
141.01848	0.7
143.03328	1.1
145.06485	0.8
149.02341	0.9
153.01872	0.9
159.02861	0.8
161.04434	1.2
175.02409	1.3
179.03383	1.0
179.05499	1.2
193.01357	0.8
194.05682	1.1
199.13339	0.8
209.08202	5.0
209.11745	1.0
227.12776	1.7
301.20197	2.8
379.04630	0.8
397.13379	0.8
411.07208	1.2
445.24539	3.0
463.25476	19.3
464.25821	2.6
503.09219	0.7
562.13062	1.1
625.30756	100.0
626.31067	17.1
641.68958	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.2716
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82978	0.2
54.87527	0.2
55.01754	0.7
57.03322	1.0
58.00466	1.0
59.01251	20.7
60.01607	0.2
60.99154	0.4
61.98698	0.9
69.03329	0.8
71.01254	15.2
71.07840	0.3
71.08170	0.3
72.01601	0.3
72.99187	1.2
73.02817	3.0
75.00748	0.6
80.96416	0.3
81.03349	0.7
83.01272	1.5
85.02821	3.3
87.00754	2.9
88.98683	2.7
89.02320	13.7
90.02658	0.3
91.03911	0.3
95.01269	1.1
97.02824	2.0
97.06483	0.5
99.00771	1.0
101.02328	11.8
111.00805	0.3
111.04449	0.3
111.08024	1.1
113.02338	5.6
119.03387	2.9
125.02347	3.2
131.03369	0.5
143.03409	1.5
145.77328	0.2
149.04520	0.3
161.04500	1.4
165.12767	8.4
166.13058	0.4
179.05536	2.0
183.13831	69.6
184.14168	3.6
185.04517	0.3
209.11751	1.1
221.06691	1.2
227.12839	9.0
228.13142	0.4
235.08167	1.8
245.59846	0.3
253.09273	0.8
263.07562	0.3
301.16589	0.4
305.08749	0.3
379.12436	0.3
397.13492	7.4
398.13980	0.5
415.14630	5.3
416.14868	0.5
445.20593	0.3
607.25964	0.9
625.27106	100.0
626.27441	16.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.2716
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65244	0.4
54.97892	0.5
55.01755	0.8
57.03321	0.7
58.00466	1.4
59.01251	24.0
61.98695	0.8
69.03336	1.0
69.26962	1.0
69.27361	3.9
71.01255	15.6
72.99184	1.1
73.02825	3.3
75.00756	0.8
81.03320	0.9
83.01259	2.0
85.02827	4.4
87.00741	2.8
88.98662	0.6
89.02319	12.0
95.01274	0.7
97.02826	1.9
99.00780	1.0
101.02318	9.3
109.57605	0.5
111.08064	0.5
113.02329	5.0
119.03391	3.0
125.02325	3.3
136.49649	0.4
143.03395	1.0
147.48203	0.5
161.04471	1.9
165.12762	10.5
166.13101	0.7
179.05481	1.1
181.59641	0.4
183.13834	81.2
184.14180	5.2
201.34650	0.4
209.11798	1.1
221.06653	0.9
227.12836	10.4
228.13173	0.8
235.08179	1.5
269.54272	0.4
323.09152	0.5
397.13553	5.6
398.13641	0.5
399.06921	0.5
415.14645	3.2
607.26404	1.0
625.27106	100.0
626.27490	16.0
626.37903	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.2629
Annotation	Unknow
Peak:m/z	Relative Intensity
55.66590	0.7
57.03334	1.5
59.01243	6.0
61.98694	3.3
70.65194	0.9
70.65527	1.6
71.01248	2.1
77.78526	0.7
78.95773	50.5
79.95612	1.5
80.91554	2.9
80.96381	1.9
81.03344	1.5
83.01255	5.1
83.04908	1.9
95.04904	1.1
96.95865	0.9
96.96836	10.0
97.06497	1.8
107.04932	0.8
109.06469	0.8
111.08067	0.7
123.00806	0.9
123.08031	1.6
125.05975	1.1
125.09599	4.5
137.09686	0.9
139.11180	3.4
152.99490	56.5
153.99789	1.2
154.99849	0.9
161.09602	1.0
163.11159	2.6
165.12787	6.4
167.10651	2.4
171.00458	1.5
174.01599	1.2
181.12198	1.8
183.13727	1.2
189.12794	0.7
191.10707	1.7
193.15880	2.3
207.10129	1.4
209.11758	18.6
210.12198	1.1
211.13455	1.4
223.00107	6.6
225.00600	1.1
241.01140	22.5
242.01482	0.8
247.20590	5.1
248.20967	1.0
259.02319	1.6
263.20013	0.8
263.59528	0.8
265.21680	1.1
273.18570	1.5
291.19659	18.3
292.19977	2.1
309.20724	13.4
310.21039	1.3
315.04828	9.1
333.05710	0.9
493.49615	0.9
625.26233	100.0
626.26514	17.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.2629
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03307	3.2
59.01250	4.6
61.98686	3.2
65.33963	0.9
65.82884	1.0
69.03316	1.3
71.01233	3.1
71.50607	1.4
78.95772	50.8
80.91541	2.9
80.96367	2.9
83.01276	1.3
83.04881	1.5
95.04827	1.8
96.96831	11.3
97.06443	2.9
100.34359	0.9
109.06421	1.2
111.08012	1.4
113.09583	0.9
123.00776	1.2
125.09622	2.9
139.11159	1.4
150.97949	1.1
151.11150	4.1
152.99483	62.0
153.99878	1.0
163.11197	2.4
165.12733	6.8
167.10666	1.2
171.00519	1.8
171.10106	1.1
174.01546	2.6
175.02292	0.9
176.30928	0.9
179.10783	1.6
181.12251	7.4
191.10649	3.0
192.52530	0.9
207.10330	0.9
209.09987	0.9
209.11768	20.6
211.13283	1.1
223.00081	7.0
223.13248	0.9
225.11398	1.2
240.98784	1.7
241.01132	24.8
242.01683	1.2
247.20581	2.7
259.02188	2.7
263.20065	1.7
273.18567	1.2
291.19608	8.7
309.20691	8.5
315.04825	9.6
333.05801	1.3
625.26257	100.0
626.26550	18.3
630.31042	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.2529
Annotation	Acanthosulfate
Peak:m/z	Relative Intensity
57.03321	0.8
59.01250	5.8
59.79833	0.4
61.98704	10.7
63.96103	1.4
69.03336	0.9
71.00898	0.8
71.01256	9.4
71.36197	0.5
71.50057	0.6
71.59596	0.4
72.99183	1.0
73.02821	2.8
78.95792	0.8
78.98458	5.5
79.95605	12.3
79.96043	0.9
80.96388	64.6
81.03313	1.1
83.01283	0.9
85.02817	4.1
87.00741	3.5
88.98685	0.7
89.02297	1.7
92.97596	0.6
94.97964	14.7
95.01239	0.6
96.95876	1.7
97.02851	1.5
99.04392	0.6
101.02332	4.1
106.97955	2.8
113.02332	1.3
122.97501	3.2
125.02356	3.0
125.25713	0.5
127.03910	0.7
134.97458	4.7
136.99046	1.4
148.99049	5.1
152.98547	6.0
164.98544	10.8
182.99544	0.9
188.98640	0.7
206.99649	3.8
209.11783	3.9
225.00699	20.4
226.00952	0.9
227.12834	1.6
262.21051	0.5
299.04492	2.8
306.88150	0.6
375.27670	0.8
376.27612	0.6
377.28134	1.2
505.33896	0.7
527.17908	2.2
537.20026	0.9
625.25323	100.0
626.25677	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	625.2533
Annotation	Unknow
Peak:m/z	Relative Intensity
54.53689	0.6
57.03313	1.0
59.01012	0.7
59.01248	10.1
60.99162	1.0
61.98699	64.9
62.98408	0.6
63.96070	0.7
63.99110	0.9
66.73969	0.6
71.01253	10.6
71.51020	1.1
72.83634	0.8
72.99187	1.1
73.02796	2.1
75.00713	1.5
78.95768	1.0
78.98468	5.1
79.95601	10.8
80.96386	52.2
81.03297	1.2
81.80692	0.6
83.01263	0.9
83.04873	1.1
85.02809	4.4
87.00743	3.0
87.04393	0.7
88.98676	4.1
89.02308	2.2
90.81313	0.6
94.97954	11.9
95.01248	1.0
95.67017	0.6
96.95861	1.5
97.02828	1.1
99.00778	0.9
99.04362	0.6
100.96448	0.7
101.02306	4.4
104.60201	0.6
106.97958	2.9
112.01874	0.7
113.02284	2.5
115.00200	0.8
119.03333	0.9
122.97463	5.5
125.02335	3.4
127.03822	0.9
134.97449	3.6
136.98999	1.2
148.99045	4.8
152.20186	0.7
152.98549	5.6
161.04314	1.0
164.98560	9.2
174.01587	0.9
175.02368	1.5
179.05504	0.7
182.99605	1.9
183.13799	1.4
206.99565	2.9
209.11781	4.1
225.00693	19.4
226.00996	1.0
227.12949	1.6
243.01671	1.7
259.28897	0.7
265.22723	0.7
297.04028	0.7
299.04401	2.4
346.57816	0.7
380.78088	0.7
527.17969	1.6
581.34381	1.3
625.25275	100.0
626.25671	16.7
626.35809	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.1407
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30843	0.8
59.01242	1.0
69.03298	0.9
69.86105	3.8
71.01263	1.3
79.01774	1.8
81.03316	1.4
83.01289	1.5
93.03307	1.7
95.01253	1.3
96.95879	1.1
97.02804	1.4
98.19925	1.2
98.20458	1.5
106.71847	0.9
107.01262	3.4
107.04916	0.8
109.02818	2.4
109.96564	0.8
111.00742	2.9
119.01208	0.9
121.02815	4.4
123.00762	2.1
123.04369	3.1
125.02301	5.6
133.02817	3.3
135.04387	3.6
137.02351	5.5
139.03900	2.8
145.02794	1.3
147.04422	1.4
148.18987	0.9
149.02341	34.2
150.03136	2.2
151.00235	2.1
151.03891	6.7
161.02296	2.5
163.00258	3.9
163.03877	3.5
165.01869	4.6
167.03386	2.7
175.03876	1.8
176.01100	0.9
177.01859	9.2
179.03421	7.8
189.01889	2.6
191.03418	7.0
193.01361	13.0
201.01735	1.0
203.03400	1.8
205.01361	4.9
207.02928	5.1
209.04471	1.3
213.05525	1.4
215.03418	2.0
217.01332	3.4
217.05075	1.0
219.02879	2.9
221.04503	3.3
227.03433	1.1
229.04945	1.5
231.02902	1.5
233.04430	2.0
235.02495	5.7
241.05205	1.0
243.02840	1.1
245.04533	1.8
247.02431	2.5
251.05612	1.2
255.03159	1.1
257.04590	2.2
257.10733	0.9
259.02271	1.1
261.04254	0.9
265.03461	1.4
286.04657	0.9
289.03479	2.1
301.03522	1.1
311.05511	1.3
313.03580	1.8
314.04517	1.5
315.04987	1.2
328.05786	4.0
329.06418	1.4
339.04990	1.1
343.04535	8.0
344.04956	1.6
355.04581	8.0
356.05096	1.3
357.06052	3.8
367.04785	1.0
369.06024	1.6
373.05441	1.8
385.00854	1.9
385.05640	31.0
386.05954	3.9
387.07132	1.4
397.05627	2.1
399.06995	1.9
415.06705	24.5
416.06982	4.0
427.06607	3.8
445.07709	5.0
457.07397	1.8
463.08609	1.1
487.08704	4.0
505.09854	100.0
506.10175	15.2
535.10889	28.2
536.11566	4.4
547.10938	1.6
589.11877	2.0
607.13092	4.0
625.14032	29.3
626.14661	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	625.1407
Annotation	6,8-Di-C-glucopyranosyltricetin
Peak:m/z	Relative Intensity
50.23739	1.5
59.01235	3.5
59.07280	1.7
71.01262	3.0
71.29845	3.7
78.34132	1.6
83.01257	3.0
93.03329	7.5
95.01255	3.8
97.02801	2.4
106.13189	1.6
107.01238	3.7
107.04890	2.0
108.02082	2.7
109.02825	5.5
114.05566	1.6
117.03337	6.8
119.04889	2.3
121.02856	2.6
121.06352	1.6
123.00764	3.8
123.04402	5.5
124.01551	2.1
125.02325	5.4
125.77689	1.9
131.04866	1.9
133.02835	3.5
135.04384	3.7
137.02324	8.7
139.03880	4.4
147.04367	2.3
149.02344	8.1
150.03166	1.6
151.00302	2.6
151.03951	3.7
153.01859	2.6
159.04341	2.4
161.02365	6.3
163.03906	3.0
165.01865	5.8
167.03401	4.3
175.03941	5.1
177.01852	7.7
177.05447	2.3
178.97940	1.6
178.99739	2.6
179.03401	6.2
187.04007	2.0
187.65611	1.9
189.01891	2.3
190.02516	2.1
191.03447	7.4
193.01347	5.8
193.04846	1.8
203.03343	4.7
205.01329	4.5
205.04933	2.1
207.02864	6.4
209.04491	5.0
209.11763	3.6
213.05499	2.4
215.03503	2.2
217.01508	1.8
219.02890	3.8
219.77260	1.9
221.00853	2.0
221.04578	2.4
223.02419	3.2
225.05554	2.8
229.05031	1.9
231.02811	2.1
235.02481	5.8
237.03943	2.5
241.05145	2.4
247.02530	3.8
251.01749	2.9
255.06622	3.4
257.04401	3.7
259.06073	3.6
265.03448	5.0
267.06628	2.0
269.04462	4.1
271.02344	2.0
271.06030	1.7
273.04190	2.2
274.00839	1.9
277.03479	5.6
282.05304	3.1
283.06088	6.1
285.03979	5.7
295.06058	2.4
297.04077	4.8
297.07620	7.6
299.05780	3.6
307.04440	2.0
311.05609	6.3
313.03659	2.7
313.07089	3.4
323.05630	3.4
325.06964	3.7
327.04889	3.0
328.05515	3.0
337.03687	3.0
339.05066	8.1
340.05505	2.9
341.06491	4.2
343.04358	2.8
353.06708	19.5
354.07159	2.8
357.06116	5.4
367.04639	2.6
369.06006	6.6
371.07532	2.1
383.07449	5.2
385.05466	17.9
387.07135	3.8
397.05444	4.2
399.06082	3.0
415.06589	14.6
445.07816	4.0
459.09174	6.9
461.10980	3.7
462.07877	2.8
473.10699	19.8
474.10989	2.2
475.08734	3.4
477.10062	2.7
487.08823	6.9
503.11865	2.2
505.09860	44.4
506.10275	6.1
517.10510	2.8
535.11005	8.6
591.13422	5.0
592.14380	10.4
607.13080	4.9
625.14044	100.0
626.14246	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	625.1406
Annotation	Unknow
Peak:m/z	Relative Intensity
69.80183	5.1
69.80597	8.0
71.01248	1.9
75.52732	2.1
79.01767	2.9
84.25253	1.8
98.19896	4.2
107.01312	3.3
109.02838	4.2
121.02814	3.4
123.04385	2.7
125.02338	3.4
131.85648	2.2
133.02840	10.7
135.04424	2.7
137.02328	4.3
147.04469	3.7
149.02351	13.4
150.02982	2.8
151.00221	6.5
151.03896	4.6
161.02307	4.6
163.00258	2.6
163.03894	3.8
165.01889	3.0
175.03891	5.4
176.01025	2.4
177.01855	8.0
179.03358	4.5
191.03394	9.3
192.20125	2.3
193.01312	6.0
195.02823	3.9
207.02879	5.8
209.04442	2.7
210.90031	2.2
213.05553	2.7
217.01334	3.4
219.02873	4.3
229.01414	3.4
229.04822	2.7
235.02454	8.1
241.04953	2.7
249.03914	5.6
255.03148	2.1
255.06522	3.3
257.04587	2.5
263.02017	2.4
265.03494	2.2
269.04474	8.1
271.02646	2.1
271.06131	2.5
277.03540	3.2
283.06058	2.4
285.03864	2.3
285.07446	2.8
297.04041	13.4
299.05566	4.6
300.02744	3.1
301.03577	6.5
311.05637	4.4
313.03500	10.6
314.04239	40.9
315.05038	6.0
323.05579	3.1
325.03476	2.5
327.04971	3.8
328.05856	4.3
329.03012	30.8
329.06522	3.8
330.03354	3.3
339.05078	5.5
341.06595	8.2
342.03592	10.9
343.04462	25.4
344.04550	3.0
355.04495	13.7
357.06107	5.7
367.04825	4.8
369.05820	3.2
371.07632	5.0
373.05597	3.6
385.05594	28.2
397.05569	6.8
399.07339	3.2
415.06656	23.2
445.07651	3.7
446.07980	2.8
462.07974	15.3
463.08823	5.3
475.09018	3.5
487.08197	2.1
505.09860	95.0
506.10165	9.7
517.09985	3.5
535.10620	13.8
541.57642	2.0
589.12622	2.6
607.12689	6.5
625.14032	100.0
626.14697	18.7
645.37842	2.5
654.99670	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	625.141
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22950	3.3
58.82517	2.8
59.01258	14.8
62.99130	2.7
65.31915	2.8
68.99671	4.9
69.42707	21.5
71.01257	15.2
73.02808	2.7
79.01801	3.9
81.03326	6.6
83.01245	8.8
83.04874	4.4
85.02828	5.8
87.00749	5.6
89.02316	8.7
93.03318	5.8
95.01261	7.4
95.04926	3.4
97.02853	6.6
101.02324	8.6
105.03446	3.1
107.01270	7.6
108.02070	5.3
109.02834	23.8
111.00780	6.1
113.02297	6.8
119.04936	4.5
121.02837	9.4
123.00767	6.9
123.04409	9.1
125.02335	18.4
133.02820	16.4
135.04384	8.7
135.45381	3.8
137.02312	16.6
139.03902	4.6
147.04395	6.5
149.02339	18.9
150.03139	3.6
151.00250	9.1
151.03854	10.5
153.01872	5.2
161.02307	4.4
162.03036	4.1
163.00267	10.1
163.03888	11.7
165.01866	16.6
165.05453	4.2
166.02507	6.3
167.03412	16.5
173.02368	7.1
175.03900	10.8
177.01833	22.1
177.05591	3.6
179.03404	17.0
179.05603	3.8
180.04124	4.6
181.01244	4.0
185.05855	2.9
189.01863	11.3
189.05515	4.9
190.02438	3.8
190.99699	6.3
191.03479	15.9
192.00671	3.7
192.04005	2.8
193.01343	17.7
193.05052	3.7
201.01764	8.4
203.03403	12.7
205.01315	12.5
206.02022	6.3
207.03004	20.3
208.62198	3.7
209.04475	10.7
209.11743	41.3
215.03447	4.1
217.01424	3.9
219.02922	13.8
221.00887	7.6
221.04546	3.1
222.01596	5.2
223.02348	7.9
227.03423	4.5
227.12903	16.6
229.05017	3.5
231.02905	8.4
233.00824	5.5
233.04515	6.2
235.02412	18.8
237.03867	5.9
239.05518	6.3
241.05022	5.8
243.02962	4.4
245.04466	4.1
247.02394	9.7
249.03932	6.9
253.03337	4.2
255.03058	6.9
256.03427	4.1
259.02390	5.2
259.05933	3.8
261.03934	5.9
263.01837	4.8
265.03522	9.8
265.09579	3.0
271.02521	3.5
273.03943	5.4
275.05737	3.4
277.03522	7.4
279.05023	3.6
283.06061	5.3
285.03937	7.5
287.05377	3.7
291.01642	6.4
293.03024	3.3
295.04745	5.1
297.03845	6.5
298.04831	8.6
299.05383	9.5
301.03592	7.0
311.05460	9.8
312.05966	3.1
313.03397	9.1
313.06967	6.3
314.04086	6.9
315.04871	5.3
317.06689	4.8
327.04898	19.8
328.05682	4.6
329.03156	5.0
329.06705	6.2
331.04370	3.4
339.04922	8.7
341.06577	6.4
343.04495	9.3
345.05972	4.1
355.04456	17.7
357.06253	15.7
359.03915	15.4
367.04462	4.0
369.06131	12.2
383.03568	4.1
385.05353	14.2
387.07019	10.5
394.20456	3.4
397.13647	11.5
399.07111	10.8
401.04996	37.2
402.05466	5.1
403.06564	4.7
413.05072	9.3
415.06564	4.4
415.14423	10.0
417.08154	4.8
431.06033	20.9
444.97824	2.9
447.09625	3.4
451.22101	3.1
459.09167	3.4
461.07126	8.5
463.08548	7.2
464.08899	3.7
469.07959	5.1
471.10587	3.7
473.10657	8.0
475.08630	16.3
477.10760	5.4
487.09344	8.6
489.11151	9.5
491.08524	3.4
503.07721	6.8
505.09787	30.0
521.09381	40.1
522.09674	5.1
535.10980	4.3
551.10352	6.7
553.15094	4.5
579.13226	6.9
581.15106	3.8
591.13837	4.1
592.14404	14.8
607.13110	19.2
608.13239	4.0
625.13983	100.0
626.14142	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	624.1565
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03296	0.2
57.66743	0.2
59.01244	2.9
60.01575	0.3
61.98698	100.0
62.13201	0.2
67.17918	0.2
69.03311	0.2
70.46822	0.4
70.47172	0.4
71.01255	1.6
73.02797	0.5
78.98478	0.3
79.95592	1.1
80.96381	4.4
81.03303	0.2
83.01336	0.3
83.04891	0.3
85.02821	0.4
87.00750	0.3
89.02324	0.5
94.97958	1.3
101.02333	0.7
113.02354	0.3
121.90305	0.2
122.97457	0.2
125.02312	0.3
134.97441	0.3
148.99022	0.3
152.98491	0.5
164.98544	0.8
175.02380	0.4
182.06555	0.2
183.13879	0.2
196.65123	0.2
209.11809	0.5
225.00661	1.8
225.14952	0.3
253.05182	0.5
254.05458	0.8
255.05701	0.4
370.73581	0.2
375.27597	0.7
376.28156	0.3
579.33667	0.5
580.34387	0.4
624.25677	0.4
625.25146	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	625.1403
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04299	2.8
56.28398	2.8
59.01244	19.9
60.27182	2.9
61.98693	2.9
65.00185	13.3
66.25528	3.1
70.52240	9.8
71.01247	13.1
72.99165	5.4
73.02811	3.9
74.65864	2.9
83.01250	11.3
85.02812	14.0
85.18047	2.8
87.00742	5.0
89.02309	12.2
93.03313	5.9
97.02802	6.2
98.20469	3.6
101.02316	7.2
107.01270	20.6
108.02056	5.9
109.02839	61.3
111.00751	13.0
113.02322	6.5
119.03324	3.8
119.52857	2.9
121.02891	4.7
123.00741	9.9
124.01458	3.9
125.02331	25.8
129.01778	5.7
133.02849	12.5
135.00754	4.7
135.04404	5.4
137.02316	20.2
139.00253	19.1
139.03886	4.4
141.01779	4.2
143.03316	3.7
149.02376	15.9
150.03029	4.5
151.00266	57.8
151.03886	7.2
152.00934	4.2
153.01826	100.0
161.02316	4.0
163.00270	53.7
163.03891	3.2
164.01006	6.4
165.01799	13.9
165.05476	4.5
165.12756	3.0
166.99805	4.9
167.03337	11.9
169.01337	5.2
175.00221	5.4
175.03873	6.4
177.01874	20.4
178.99789	19.7
179.03345	8.7
181.01425	19.5
182.02100	4.8
187.03931	5.7
189.01921	3.7
190.99731	13.8
191.03342	5.0
192.00534	4.0
193.01312	28.1
195.02879	6.7
197.04495	6.5
199.13321	4.1
203.03387	9.0
205.01360	17.2
205.03178	3.5
206.99257	23.0
207.02806	4.7
207.99892	3.9
209.11760	49.9
211.03951	6.3
215.03586	3.8
217.01357	5.8
217.04939	4.1
219.02937	7.7
221.00838	13.6
223.02385	4.1
227.03325	6.1
227.12796	29.0
231.02901	9.7
235.02393	5.4
235.08080	3.9
243.02925	10.1
245.04475	10.6
249.00414	4.6
251.01707	3.3
255.02956	13.4
256.03488	3.9
259.06152	4.6
261.04047	5.3
271.02466	17.5
272.02905	5.1
273.04132	16.2
284.03226	15.9
285.03949	24.9
298.04785	3.8
299.01901	21.0
299.04898	3.5
301.03394	8.9
311.05478	7.8
312.06284	4.2
313.03424	7.1
314.04001	4.2
316.02206	9.5
317.02994	72.1
318.03275	5.4
327.04968	6.1
339.05142	5.0
341.03055	5.2
351.04810	3.6
353.06293	4.2
359.03986	29.2
359.07516	5.6
360.04459	4.1
369.06006	21.1
389.04950	5.3
397.13599	20.8
399.07242	19.2
415.14450	9.2
444.07318	3.6
447.09497	5.0
459.10596	13.1
463.08762	6.1
487.10663	9.0
505.09933	5.6
515.10321	11.9
516.11670	6.7
563.14130	55.2
607.12775	21.3
608.13129	5.0
625.13898	77.1
625.26740	10.2
626.14587	10.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.3433
Annotation	Caribenolide I
Peak:m/z	Relative Intensity
55.01745	1.7
57.03335	2.8
58.00470	0.9
59.01246	19.7
61.98701	1.4
69.03323	1.9
71.01251	24.1
71.04900	0.7
71.49940	0.9
72.99181	2.3
73.02819	6.3
81.03316	1.1
83.01234	3.9
83.04885	2.5
85.02817	7.6
85.99993	1.0
87.00746	10.1
89.02316	8.8
91.03895	0.8
92.17736	0.5
93.03349	0.8
95.01250	2.2
95.04891	1.4
97.02809	1.8
97.06433	1.6
99.00749	2.1
101.02319	15.3
106.04089	0.6
107.04897	0.9
109.06471	2.6
111.00761	0.8
111.08027	2.2
111.45923	0.6
113.02335	9.9
115.03807	0.8
119.03379	3.3
123.08091	0.7
125.02312	2.6
125.09611	0.7
133.04958	1.6
133.06516	0.8
135.04280	0.5
135.08052	2.6
137.09607	2.4
143.03392	1.5
145.04962	6.0
146.05318	0.6
149.04488	0.5
161.04430	5.0
161.09625	0.7
167.14270	0.6
177.12784	0.7
179.05522	2.7
179.14247	0.7
203.14331	2.8
205.15833	0.7
207.17517	0.8
211.13283	2.7
213.14848	1.9
221.15439	0.8
225.14810	0.7
231.17500	1.8
235.08192	16.0
236.08548	0.7
237.14970	1.9
239.16479	2.9
241.17929	1.5
245.18929	0.7
247.13316	1.4
247.17032	1.2
249.14912	0.8
253.09247	1.0
253.17844	0.8
261.18518	0.7
265.18140	2.3
267.19540	0.7
275.16489	3.4
277.18021	2.3
293.21469	0.7
313.25400	0.9
315.26947	4.2
316.27444	0.7
317.28357	0.8
325.25476	6.5
326.25739	0.7
341.24774	4.7
343.26385	7.9
344.26752	1.3
351.23291	3.9
359.25882	12.3
360.26205	1.7
361.27350	3.0
369.24307	16.7
370.24796	2.6
377.27060	2.1
387.25375	66.3
388.25687	10.2
405.26425	56.2
406.26810	7.8
461.28732	0.7
479.30145	3.3
499.89423	0.7
595.34943	2.6
596.34698	0.6
605.33447	1.4
623.34357	100.0
624.34778	21.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.1981
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	33.7
67.39068	5.2
70.80617	12.8
70.80996	8.1
71.01244	10.6
73.02818	16.7
77.55036	5.8
81.03574	5.0
101.02316	20.0
119.03339	8.3
122.03574	8.0
132.11346	6.1
149.02338	14.4
150.03117	65.2
161.04439	7.7
164.04655	6.9
165.05479	100.0
166.05838	6.9
195.06573	88.1
206.49257	7.5
225.29797	6.0
254.58932	5.9
280.20984	6.5
297.04135	9.7
298.04782	24.3
325.03293	10.0
327.12320	22.0
341.06741	55.5
383.07877	7.7
443.09506	9.6
579.20563	9.7
623.16583	41.6
624.17786	7.0
631.50201	6.7
638.59808	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	623.256
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03312	1.9
59.01247	25.0
61.82391	1.4
61.98692	10.6
67.01726	1.4
69.17439	9.5
69.17869	6.3
71.01254	25.0
71.85954	1.6
72.99177	6.3
73.02813	5.6
75.00745	4.7
78.95780	1.4
83.00824	1.5
83.01260	8.0
84.02039	5.3
85.02834	6.1
87.00754	34.9
88.98680	2.5
89.02318	5.6
90.40435	1.5
95.01304	1.7
97.02830	1.7
99.00735	2.0
101.02316	4.8
111.00766	4.8
113.02349	5.5
115.00256	53.1
116.00615	1.8
122.03601	1.4
125.02351	2.0
127.00191	1.7
127.53687	1.7
129.01846	2.3
135.04384	1.7
136.05031	1.3
139.00243	6.4
147.02789	1.5
149.02409	1.4
150.03143	1.7
157.01305	11.3
161.04430	3.0
175.02406	100.0
176.02687	2.2
195.06613	1.4
195.13660	1.7
200.00742	1.6
202.10384	1.6
211.17064	1.7
215.12677	2.0
218.49588	1.5
221.37018	1.4
225.14900	1.8
235.16957	6.2
237.14915	3.3
239.16556	8.2
241.14404	5.6
247.13472	2.5
251.16515	3.0
253.09348	5.2
253.18028	6.7
261.15005	4.2
263.16614	8.3
279.16101	2.0
281.17575	13.5
289.14502	1.8
307.15485	2.4
493.22726	2.1
505.22858	10.5
519.24365	8.0
519.31696	3.5
523.23895	3.5
533.26300	2.4
543.24518	6.4
561.25562	26.7
562.25690	3.4
563.23474	5.9
605.24622	4.1
623.24353	3.7
623.34125	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	623.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30692	10.0
55.22089	11.9
59.01244	91.1
71.01255	41.9
71.50410	15.6
73.02814	34.1
83.01244	19.0
87.00739	11.7
89.02287	11.0
90.29468	11.7
101.02320	31.3
113.02388	11.9
122.03630	24.7
125.02382	10.7
133.02837	14.8
134.03711	11.7
139.05200	13.8
148.97577	11.3
149.02339	73.1
150.03134	74.3
151.00381	13.0
164.04623	21.0
165.05470	72.7
178.99750	14.9
195.06526	43.2
207.09978	12.4
210.21048	12.9
225.11307	28.0
250.05402	11.1
287.01962	12.9
312.10016	20.6
327.04901	17.9
327.12247	100.0
369.06155	13.8
401.05078	17.8
407.36276	11.3
487.09082	21.3
489.10413	24.5
505.09958	23.3
561.13074	13.3
561.54028	14.5
579.20740	21.8
623.12769	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	622.3076
Annotation	Unknow
Peak:m/z	Relative Intensity
56.93426	0.3
57.13020	0.3
59.01243	0.8
60.44059	0.3
61.98701	100.0
64.65894	0.3
69.70882	0.3
71.01263	0.6
71.39322	0.3
71.50272	0.4
71.50641	0.3
73.44639	0.3
78.95780	0.6
80.96397	1.5
86.18364	0.3
86.73515	0.3
94.68336	0.3
94.97966	0.5
96.95887	0.5
125.02382	0.4
136.96378	0.3
140.20299	0.3
152.99551	0.5
225.00729	0.6
225.34633	0.3
225.37384	0.3
405.26413	0.4
462.58063	0.4
623.26947	3.1
623.36322	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	622.308
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09169	0.3
52.05510	0.3
59.01241	0.6
61.98700	100.0
71.50198	0.4
71.50594	0.3
71.92790	0.3
85.30811	0.2
96.95893	0.5
104.47843	0.3
108.35278	0.3
166.99648	0.2
203.00977	0.3
211.13533	0.4
252.24380	0.3
405.26382	0.4
443.51749	0.4
623.34735	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2761
Annotation	Unknow
Peak:m/z	Relative Intensity
55.39716	3.4
56.95708	3.1
59.01248	100.0
71.01257	13.5
72.99180	4.6
74.24449	4.0
83.01256	8.7
85.02821	13.9
87.00768	4.3
101.02296	14.0
113.02348	7.2
129.01874	6.0
133.02888	5.6
143.04491	4.9
161.04482	5.6
174.01543	5.4
179.93999	3.9
203.24290	3.6
211.13335	8.7
220.51953	3.1
312.06366	3.9
387.46262	3.6
437.17688	3.6
517.26477	26.0
531.12396	4.4
535.27704	9.6
613.02460	4.0
616.47961	4.0
621.15155	22.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.3771
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03317	1.5
57.87274	0.8
58.04979	0.8
59.01247	2.4
69.43445	4.1
69.43863	2.0
78.95791	0.9
80.02534	1.7
80.09963	0.8
81.03322	2.0
83.01252	4.2
83.04897	1.8
93.03336	4.8
95.04897	1.6
97.06477	4.0
109.06499	1.2
119.04790	0.9
121.02813	4.5
121.06456	1.0
123.04420	2.1
123.08006	1.5
125.06002	1.0
125.09596	5.2
127.21299	0.8
129.01802	1.1
135.07967	1.6
137.09613	3.4
148.08832	2.2
150.10341	1.8
152.44623	0.8
163.11226	8.1
165.12752	26.7
166.13072	1.0
167.10556	1.1
175.07298	1.5
177.12674	1.1
181.05862	0.9
185.11751	3.2
189.12773	1.0
191.10664	1.5
191.14310	6.3
199.01540	0.9
207.10175	4.0
209.07771	1.1
209.11760	27.4
210.12064	1.6
210.79535	0.8
217.15875	2.2
225.11208	2.7
231.09975	36.2
232.10381	1.8
233.11449	2.3
244.10751	3.6
245.19040	9.8
247.20634	12.7
247.38344	0.9
249.11115	1.1
259.13077	1.0
263.20215	0.9
271.16974	1.1
273.18689	5.1
285.18414	2.4
288.74512	1.0
289.18085	28.0
289.23148	1.4
290.18396	2.8
291.19647	100.0
292.20001	9.7
307.19107	25.5
308.19360	2.3
311.22180	2.4
313.17795	11.8
314.18146	1.1
317.17303	5.6
329.17554	11.9
330.17789	1.7
424.51791	0.9
523.30579	4.0
621.28912	0.9
621.37677	22.6
622.38000	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	621.2713
Annotation	Unknow
Peak:m/z	Relative Intensity
54.85112	0.2
61.14611	0.3
61.98691	0.8
70.13042	0.6
70.13428	0.6
98.19888	0.4
128.96443	0.3
135.01144	0.3
181.41562	0.2
190.04906	0.4
211.08504	0.3
219.44986	0.3
237.06845	0.3
239.17444	0.3
262.83527	0.3
271.35172	0.3
388.21927	0.3
417.16809	0.4
431.14728	0.4
435.22498	0.3
445.16635	2.6
446.17374	3.4
447.17740	0.6
459.22147	3.3
460.18893	10.5
461.19775	29.1
462.20227	4.7
473.20230	0.4
474.20480	1.5
475.21274	4.5
476.21912	1.4
507.37012	0.3
519.20294	15.4
520.20764	4.0
521.21667	0.4
533.21716	1.5
534.22406	0.7
535.23431	0.8
552.84998	0.3
589.24249	0.3
606.24347	0.6
621.27130	100.0
622.27448	22.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2709
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28180	1.0
62.77719	1.0
65.02100	1.1
65.88911	1.2
66.26323	1.0
67.73148	1.0
69.75752	5.5
71.01225	1.3
79.38000	1.0
98.20553	1.4
136.61771	1.0
145.35791	1.3
145.98978	1.0
171.10172	3.3
183.61041	1.1
196.57523	1.0
211.13435	1.6
229.14392	2.1
243.73405	1.2
247.20360	1.4
273.12582	1.3
291.19644	2.5
309.20624	8.4
311.22321	4.3
327.21701	7.4
329.23270	4.0
445.16446	2.5
446.17514	3.2
459.21933	3.1
460.18799	7.7
461.19751	27.8
462.19864	3.6
474.20535	1.6
475.21313	4.6
502.19821	1.2
519.20245	13.7
520.20874	2.9
621.27173	100.0
621.43646	4.2
622.27563	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	621.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	100.0
61.98692	1.1
71.01250	1.5
71.51484	0.9
71.51972	1.4
97.09599	1.1
101.02319	1.3
157.92625	1.1
263.06998	1.9
272.94046	1.2
281.08295	6.9
285.49579	1.3
291.06693	1.4
292.07263	1.1
293.08234	2.5
294.08704	1.3
307.09601	1.4
308.10403	2.1
309.07693	29.3
309.11292	1.6
310.08023	3.0
323.09204	7.2
324.10001	19.2
325.10364	2.8
339.12363	73.1
340.12698	8.0
381.27408	1.3
436.42310	1.2
486.88910	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	621.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	100.0
61.98684	9.4
63.96104	13.6
65.33620	5.6
69.23386	64.4
71.01247	58.1
72.99179	12.8
73.02823	20.5
74.32986	6.1
78.61431	5.5
80.67700	6.0
83.01262	10.4
85.02827	15.1
85.84693	6.1
87.00770	9.5
89.02316	21.3
95.55302	5.8
101.02331	43.3
113.02293	16.3
117.97176	11.2
119.03391	9.8
122.05996	6.6
135.98267	26.0
147.96400	7.2
151.00284	7.5
161.04428	9.0
166.02562	21.1
170.79156	6.5
175.02379	8.9
181.04977	28.2
206.84373	6.2
211.13373	14.1
281.08221	20.1
296.38638	6.2
309.07654	53.4
311.05832	10.4
324.09854	29.3
339.12314	67.1
340.12909	9.0
417.15509	57.0
456.21478	6.5
561.29175	9.7
579.30060	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	621.1822
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39776	1.9
59.01255	2.6
61.98683	2.1
63.02263	1.7
66.25082	1.8
68.84604	1.7
71.51720	1.8
72.34161	1.6
75.58801	1.7
88.06833	1.9
107.69815	1.8
148.45374	1.8
158.37651	2.1
162.73260	1.9
168.80414	1.8
209.06001	3.6
253.05038	100.0
254.05315	7.7
291.10406	2.0
308.07028	1.9
339.50912	1.9
373.26190	3.2
452.53232	1.9
563.45532	1.8
581.02820	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	621.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37470	0.8
52.26926	0.8
54.71649	0.8
58.77685	0.8
59.01245	1.7
59.62220	0.7
71.49691	1.2
78.95760	0.8
81.03386	0.9
81.90076	0.9
82.61091	0.8
92.86863	0.7
95.01199	1.1
101.02338	1.4
109.02830	2.8
123.00761	2.0
125.02289	1.1
125.80524	0.8
137.02344	11.3
141.37192	0.7
149.02364	1.4
150.03166	1.1
151.00256	23.0
151.03900	1.6
152.00996	1.8
152.04680	2.2
157.82123	0.7
166.02617	70.4
167.03294	5.9
177.01825	4.0
179.03494	0.9
181.04968	84.8
182.05214	4.5
184.03702	1.0
191.03357	1.0
192.04225	1.2
205.05029	1.2
205.08662	1.7
207.06403	0.9
359.11456	1.7
387.10806	19.1
388.11151	2.3
402.12933	6.2
403.13608	1.1
417.15518	100.0
418.15924	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	620.1619
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	6.8
59.01249	8.5
60.95845	2.1
65.00212	2.1
65.59841	1.8
69.25026	17.4
71.01244	2.5
73.02785	3.1
76.21101	1.8
78.95798	2.7
81.03316	11.0
83.01254	7.0
85.02824	3.8
89.02314	3.3
93.03326	2.6
95.04907	6.9
97.02818	2.5
99.04388	6.4
100.14833	1.8
105.03320	2.1
107.01241	3.3
107.04859	3.0
109.02853	18.7
113.02348	2.8
121.02826	8.2
123.04404	12.1
124.01575	2.9
125.02333	100.0
125.14732	2.3
126.02684	3.0
127.57150	1.9
131.03389	2.4
133.02855	46.7
134.03543	2.7
135.04434	2.3
137.02344	51.3
138.03104	3.5
139.03885	5.5
149.02347	84.4
150.02734	3.6
151.00238	2.5
151.03926	19.9
153.01884	2.4
161.02310	9.8
163.00276	3.6
163.03908	4.0
164.00983	3.3
165.01834	11.5
165.05469	3.8
166.02687	13.7
167.03412	55.6
168.03745	3.7
173.02293	3.1
176.01028	2.2
176.87309	2.1
177.01877	29.3
178.02470	3.8
179.03416	11.6
191.03415	7.8
193.01422	12.6
193.04996	4.9
197.04457	2.4
205.01378	10.8
206.02153	18.4
207.02867	8.5
209.04489	4.7
217.01329	11.3
219.02950	4.9
225.03943	3.7
233.00830	4.3
234.01598	7.0
235.02403	8.0
245.00928	2.7
251.05624	34.6
252.05869	3.5
269.06653	4.7
303.05066	10.3
313.09293	70.0
314.09564	5.8
315.05014	7.9
319.04553	6.3
327.05078	2.7
345.06134	6.4
375.07294	2.6
381.08261	39.9
382.08395	4.7
403.06705	3.6
411.07333	3.6
415.12411	25.9
416.12744	2.9
429.08255	25.0
430.08411	3.5
442.13220	3.7
447.09219	19.1
448.09546	2.6
473.11047	3.5
483.11401	9.3
491.11923	95.9
492.12421	13.6
522.72406	2.5
589.82581	2.2
593.14520	9.3
620.14441	3.5
646.30585	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	620.1611
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01237	10.1
65.00206	2.8
66.18224	1.9
71.01249	8.0
75.00711	2.2
79.01771	2.4
81.03320	3.7
83.01235	4.3
83.27067	2.3
84.75042	2.1
85.02818	8.6
89.02299	4.8
95.01257	2.4
97.02825	4.8
101.02319	5.0
107.01281	2.9
109.02847	12.8
121.02818	5.0
123.00806	2.4
123.04390	4.9
125.02315	8.2
125.05955	2.4
128.33597	2.3
132.04405	3.3
133.02811	19.5
135.04440	5.8
137.02357	11.8
138.36263	2.6
139.03888	4.7
147.03165	3.1
147.04347	5.5
149.02318	7.3
150.03102	4.1
151.03912	8.9
160.03911	2.7
161.02296	6.3
163.00218	4.0
163.03885	8.6
165.01831	7.7
165.05521	3.2
167.03398	10.4
172.03899	3.4
174.66895	2.4
175.03882	5.2
176.03285	2.5
177.01833	12.5
177.04190	6.2
179.03429	10.2
187.03900	2.9
189.01886	6.1
190.02692	2.4
190.05035	8.0
191.03430	6.5
192.02925	3.6
193.01323	5.4
201.01851	3.7
203.03397	3.3
205.01300	6.8
205.03694	8.6
207.02878	6.0
209.04485	6.2
211.13313	3.2
216.03067	3.0
217.05005	3.0
219.02904	6.8
221.04471	4.7
231.02954	2.8
235.02402	8.0
239.05284	3.0
245.04533	2.6
265.03500	5.5
277.03503	3.0
283.06003	4.6
297.04141	4.6
298.04715	7.2
299.05441	9.0
306.07700	3.6
309.03717	2.6
310.04691	3.6
311.05548	8.4
312.06271	12.4
313.06833	4.5
314.04272	3.5
325.07059	3.6
327.05182	12.4
330.26132	2.5
338.09113	16.5
339.05020	10.7
340.05338	4.5
341.06506	8.4
343.04425	4.6
352.10553	6.0
353.06937	4.8
355.04578	10.0
356.07895	2.6
357.06378	3.7
369.05893	14.0
370.06177	3.9
371.06934	3.8
381.06256	4.0
385.05582	10.4
399.07028	6.6
408.07275	7.0
411.07394	2.9
413.08679	3.4
417.07275	3.7
426.08353	13.0
438.08090	6.3
441.08167	3.9
442.13278	9.5
443.09708	3.9
444.10001	8.5
445.07803	7.2
456.09454	13.9
459.08786	3.2
468.09427	4.1
472.09534	2.9
473.10309	5.1
486.10632	5.9
489.11102	3.4
498.10162	13.0
505.09680	3.2
506.10794	4.5
507.10608	15.4
512.11694	7.7
516.11560	25.5
517.11688	5.0
528.11414	8.1
530.13092	12.9
531.13385	3.0
542.13062	2.8
560.13873	3.0
561.12183	3.6
562.13501	14.8
563.13892	13.7
575.13629	3.5
580.13617	3.2
584.13916	3.7
593.14124	4.6
602.15155	37.9
603.15436	6.9
620.16144	100.0
621.16113	19.3
621.24744	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	620.1614
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01238	1.6
61.27511	1.4
61.98686	2.2
69.32216	8.4
69.32632	3.0
71.01250	4.3
76.39312	1.1
77.40553	1.2
80.96357	1.4
83.01237	3.4
89.02319	1.3
93.03377	1.3
95.01184	1.4
95.23481	1.2
99.04385	1.3
107.01270	1.7
108.02017	1.2
109.02876	3.0
111.04365	1.3
117.03305	3.5
121.02818	3.0
123.00739	1.6
123.04384	4.0
125.02335	5.9
132.04462	1.5
133.02840	3.2
134.02385	2.4
135.04387	3.6
137.02327	5.1
139.03865	1.9
140.74579	1.3
147.04352	2.3
148.03964	2.6
149.02353	3.1
150.03101	4.6
151.00217	2.6
151.03902	4.1
158.05963	1.4
159.04366	1.3
160.03963	2.4
161.02301	2.2
163.00191	1.8
163.03862	3.1
165.01814	3.8
166.02655	2.0
167.03403	3.5
175.03815	2.7
176.03455	2.4
177.01828	3.8
177.04205	5.8
177.05527	1.7
178.05025	2.0
179.03400	6.7
180.04153	2.3
187.03804	1.7
191.03368	4.5
193.01381	3.0
195.02802	1.6
197.04474	1.7
200.03450	2.1
201.01921	1.5
201.05449	1.4
203.03419	1.9
205.01411	2.3
205.03696	10.5
206.01912	1.2
206.04347	2.8
207.02943	3.8
209.04443	3.1
216.06631	3.7
218.04401	1.7
219.02995	2.3
221.04483	2.0
233.04431	1.8
235.02422	4.4
239.05560	4.6
241.05128	1.6
247.02348	1.8
261.03995	2.5
265.03473	2.6
281.04593	1.8
283.05975	3.1
291.05066	1.6
295.06018	4.1
296.06546	1.7
297.03995	2.3
297.07559	5.8
298.04745	5.4
310.07477	1.4
311.05652	4.3
312.06290	2.5
313.07236	2.9
322.07294	1.8
323.05746	2.2
325.07224	2.2
327.05087	5.9
337.06625	1.6
338.08804	14.1
339.05005	5.0
339.08868	2.7
340.08252	1.8
341.06592	2.3
353.06561	13.0
355.08246	2.2
357.06219	1.3
365.06662	2.4
368.09937	14.1
369.06067	10.1
369.09982	1.7
381.05994	2.1
382.09271	3.7
383.07498	7.3
392.07773	4.4
394.09299	1.7
395.07452	1.8
399.07224	4.6
410.08868	8.2
412.10257	6.9
413.08887	3.4
422.08801	5.7
425.08441	2.6
429.08218	3.1
440.09708	14.1
441.09125	1.6
442.11386	2.4
443.09784	7.7
452.09689	3.9
458.12814	7.9
459.09378	4.9
470.10907	5.7
471.11005	2.0
473.10815	4.7
482.11133	3.1
487.11230	3.0
489.10403	3.9
500.12015	17.9
501.12140	3.4
503.12405	1.5
512.12067	6.5
530.13080	18.0
531.13538	4.2
542.12689	3.2
560.13879	2.4
561.13196	1.8
563.14008	30.6
564.14386	5.5
579.13336	8.7
580.13800	2.1
602.15009	13.9
603.15271	2.8
620.16144	100.0
621.16345	20.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.3332
Annotation	Unknow
Peak:m/z	Relative Intensity
55.14625	1.3
57.39998	1.5
59.01244	21.1
61.98692	5.6
67.25242	1.3
71.01268	8.0
71.50211	2.6
75.00740	9.3
76.21545	1.7
78.95782	5.3
85.02824	2.7
89.02317	6.8
101.02327	6.0
111.56870	1.6
113.02334	5.0
119.03405	1.6
125.09585	3.2
152.99437	2.5
161.04410	2.8
161.26822	1.8
163.11143	1.5
171.10060	2.2
183.13828	1.5
197.11739	4.1
221.11734	2.2
234.98595	1.6
236.76550	1.6
239.12938	1.7
253.09253	21.2
284.95160	1.6
291.19644	7.9
304.22769	1.6
308.19894	4.5
323.22241	100.0
324.22678	12.0
383.22440	2.5
401.23178	2.4
463.73019	2.0
559.31201	2.1
619.32098	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	619.421
Annotation	Unknow
Peak:m/z	Relative Intensity
54.19342	0.8
55.23730	0.9
57.03323	2.5
59.01257	1.5
62.59075	0.8
62.81295	0.8
69.03329	2.2
71.51374	1.7
76.27987	1.0
85.02816	7.3
96.95876	0.9
97.02807	1.3
97.06475	5.1
112.73077	1.0
113.41808	0.9
127.11158	1.4
137.09605	2.2
152.99516	1.2
165.12782	1.9
167.10646	1.1
167.14299	1.2
171.10179	24.7
177.12788	1.5
178.56654	0.9
183.13820	2.8
185.11827	1.7
192.65746	0.9
197.11740	1.0
201.11282	1.5
209.11726	1.7
211.13336	15.1
212.13739	1.1
216.52847	1.0
221.11765	2.8
229.14404	10.6
239.12836	2.2
247.20726	1.8
255.08194	1.0
273.18488	1.4
291.19662	16.7
292.19867	1.6
307.19464	1.1
309.20700	36.2
310.21002	3.2
325.54318	1.0
327.21747	100.0
328.22070	9.7
370.67722	1.0
601.41125	9.5
602.41162	2.7
619.42236	20.2
620.42682	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.2966
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	1.5
57.03328	1.8
59.01250	38.2
61.98703	7.2
71.01254	20.9
71.04901	1.6
71.50071	1.2
71.50558	2.7
72.99186	4.0
73.02810	10.0
75.00758	2.5
78.95787	2.0
83.01264	2.5
83.04929	3.4
85.02803	6.5
87.00755	5.6
89.02325	8.2
96.95915	4.4
96.96814	1.5
97.06446	2.2
99.00748	2.3
101.02320	13.7
113.02338	8.5
114.05519	2.1
119.03391	2.0
123.08035	1.5
125.02361	2.1
125.09561	3.0
135.02818	1.7
139.03923	2.3
157.08542	1.9
159.10223	2.2
163.11224	1.5
170.28462	1.6
171.10199	7.4
175.02383	3.0
179.05502	3.5
208.40877	1.4
265.90454	1.3
295.06491	1.3
353.23172	3.4
371.24347	20.0
372.24686	1.6
413.08957	1.5
419.26123	1.8
457.26089	3.4
499.28772	1.7
515.28699	5.1
533.29474	15.3
534.29413	2.5
575.30707	100.0
576.31024	18.5
619.29816	10.0
620.25336	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	619.3122
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97346	2.7
59.01255	19.1
59.89456	2.2
60.83505	2.3
61.98712	12.3
62.87059	2.4
65.03819	2.3
70.07297	5.1
70.07688	6.1
71.01240	11.4
78.95781	4.7
80.13922	2.3
87.00757	3.4
88.98669	3.1
89.02300	11.8
97.06493	2.9
98.65986	2.8
101.02316	8.7
103.05447	2.6
119.04932	3.9
125.09580	10.5
151.58273	2.5
152.99512	3.5
177.12946	2.5
187.14912	7.5
213.12819	10.1
231.13873	22.8
236.94879	2.7
281.26822	2.4
307.19269	2.5
383.22388	17.0
401.23251	8.7
446.08069	2.7
619.31268	100.0
620.31665	17.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.3122
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97346	2.7
59.01255	19.1
59.89456	2.2
60.83505	2.3
61.98712	12.3
62.87059	2.4
65.03819	2.3
70.07297	5.1
70.07688	6.1
71.01240	11.4
78.95781	4.7
80.13922	2.3
87.00757	3.4
88.98669	3.1
89.02300	11.8
97.06493	2.9
98.65986	2.8
101.02316	8.7
103.05447	2.6
119.04932	3.9
125.09580	10.5
151.58273	2.5
152.99512	3.5
177.12946	2.5
187.14912	7.5
213.12819	10.1
231.13873	22.8
236.94879	2.7
281.26822	2.4
307.19269	2.5
383.22388	17.0
401.23251	8.7
446.08069	2.7
619.31268	100.0
620.31665	17.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.3234
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01239	0.7
61.98702	100.0
66.83903	0.5
69.25027	0.4
71.50380	0.9
71.68439	0.4
78.48415	0.4
78.95786	0.8
80.58538	0.4
88.21163	0.4
90.93423	0.5
93.23233	0.5
122.05879	0.5
148.37128	0.4
167.72098	0.5
207.33412	0.5
279.23309	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.2241
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	1.5
59.01251	29.1
61.34463	1.6
61.85308	1.4
61.98707	2.6
66.46033	1.6
69.03324	2.5
71.01250	45.0
71.01624	3.1
71.50095	2.2
72.99172	2.1
73.02821	23.0
75.00746	1.5
83.01257	3.1
85.02812	17.0
87.00749	5.4
89.02316	30.8
95.01279	2.4
97.02843	2.1
99.00774	2.2
101.02322	50.2
104.93726	1.6
113.02328	16.9
115.03940	2.2
119.03379	14.6
124.62368	1.7
125.02341	3.3
127.03922	1.9
131.03391	5.7
143.03392	9.9
145.04956	32.5
146.05258	1.6
161.04475	16.7
179.05540	36.7
198.79739	1.4
205.07149	6.8
221.06622	7.1
247.08141	7.1
252.06638	1.8
255.10298	1.4
325.11392	4.7
367.12427	100.0
368.12704	6.5
397.13824	2.2
427.14551	6.6
619.13861	2.5
619.26660	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	619.2563
Annotation	Unknow
Peak:m/z	Relative Intensity
54.58220	17.5
62.05093	18.4
71.52856	27.6
73.84925	15.0
78.95786	38.4
85.09621	18.3
115.13485	17.3
152.99518	18.8
161.83937	16.7
221.11609	19.0
268.13638	20.6
459.18295	100.0
473.19720	16.7
518.19696	56.1
533.22021	87.8
608.50354	17.4
619.25574	78.2
620.26184	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	619.2554
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
52.81190	1.3
66.14375	1.1
70.04686	1.1
71.43347	1.2
78.95786	2.9
87.09718	1.2
88.15938	1.4
99.23826	1.1
136.09846	1.1
175.40723	1.3
357.58066	1.3
401.14005	2.1
416.16528	12.7
417.16727	2.1
429.16730	1.9
430.17841	2.3
434.17487	2.2
444.15958	2.3
458.16898	1.5
459.18256	88.9
460.18561	16.9
473.19785	14.8
474.20557	6.6
503.17090	1.4
518.19562	43.9
519.19727	7.2
528.65454	1.3
532.21069	6.9
533.21887	100.0
534.22302	19.6
587.23016	6.7
588.22778	1.9
619.25549	66.9
620.25964	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	619.1516
Annotation	Unknow
Peak:m/z	Relative Intensity
54.92638	6.3
59.01255	100.0
59.90749	8.0
65.97861	7.6
69.03308	13.9
69.59426	15.8
69.59834	45.0
71.01251	28.2
75.96389	6.4
91.58766	6.2
97.02820	15.0
99.00787	8.2
102.05754	7.6
129.01822	19.8
141.01846	20.6
201.04022	43.5
219.04984	20.3
337.07092	8.8
350.85858	7.6
373.87775	6.6
620.16534	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	618.219
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	0.7
60.42778	0.4
61.98702	100.0
63.99132	0.5
68.64182	0.4
69.80399	0.7
69.80789	2.2
76.71391	0.4
76.71923	0.3
98.19759	0.5
121.83933	0.4
124.06388	0.4
128.14331	0.3
129.88818	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	618.3057
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02848	5.9
59.01254	6.7
61.98700	2.3
66.03352	0.6
70.02869	0.8
71.01249	3.6
71.50925	1.3
72.00760	0.9
72.99184	0.8
73.02819	1.2
74.02342	14.1
75.00753	1.5
77.25517	0.6
78.95745	0.9
82.02860	1.6
83.01247	0.9
85.02824	1.2
86.02361	4.0
86.06045	1.1
86.98990	0.7
87.00754	1.1
87.05502	2.6
89.02327	1.3
90.00074	1.5
96.95892	1.4
97.03951	1.5
99.05511	10.4
101.02296	1.7
101.07075	1.8
102.05477	1.6
107.06050	0.7
109.03969	1.8
111.05552	0.8
112.03928	1.1
113.02316	1.5
116.01642	1.4
120.01142	1.0
122.05978	0.7
123.05524	1.3
125.03436	1.6
126.01828	0.9
126.27526	0.7
127.05013	1.8
128.03426	31.9
129.03754	1.5
129.99590	0.7
132.70335	0.6
135.05513	3.1
137.07037	0.8
141.06544	2.6
143.04521	44.3
144.04871	1.4
145.06096	1.7
146.04498	3.2
153.06580	2.4
159.02948	0.6
160.00653	10.8
161.04460	1.7
166.09740	1.7
167.04529	2.8
167.08159	1.6
171.10178	4.8
172.10507	1.6
172.88629	0.6
177.03278	4.6
179.04436	7.2
181.06146	0.8
185.05556	1.2
192.07631	1.1
197.05611	1.4
197.11774	0.9
209.11800	1.9
210.08784	8.1
210.12018	1.4
211.09143	0.6
211.13382	0.7
227.12927	1.2
254.07765	12.6
255.08182	1.1
255.34641	0.6
272.08871	22.9
273.09088	1.7
288.06552	7.0
306.07635	100.0
307.07913	8.0
308.07355	3.0
310.20999	0.8
315.16141	0.6
351.69058	0.6
540.69604	0.7
589.80774	0.8
591.13269	0.8
618.30859	2.3
619.31982	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	618.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65718	2.0
57.03320	2.0
59.01248	29.2
61.98706	9.0
62.68349	2.0
64.21685	1.6
64.96902	1.7
65.00188	3.2
65.99701	2.7
69.03316	2.5
69.42108	12.8
71.01255	15.0
72.01549	1.7
72.99170	3.6
73.02848	4.2
77.03815	1.7
81.03313	2.5
83.01255	3.6
85.02809	7.0
87.00735	2.7
89.02323	9.9
93.03328	2.8
95.01263	4.2
96.95872	2.8
97.02795	4.7
98.20547	2.8
99.00720	4.1
101.02319	10.6
106.02825	2.1
106.23866	1.7
107.04910	2.5
109.02836	4.8
113.02329	7.4
117.00142	2.1
119.03426	4.1
121.02836	6.3
121.96298	2.0
122.02374	18.3
123.04388	5.8
125.02325	9.0
132.04459	2.1
133.02831	4.1
134.02328	3.1
135.00774	2.2
135.04388	6.9
135.98242	3.3
137.02350	10.2
138.03111	6.7
139.03864	2.6
145.02762	2.6
147.04480	2.0
148.03986	2.4
149.02406	2.4
151.00316	2.2
151.03873	8.3
152.07040	2.6
153.01807	4.9
160.03931	5.9
161.02299	2.3
161.04491	2.0
162.01859	5.4
162.05539	3.8
163.00241	2.5
163.02623	5.0
163.03873	2.0
164.03398	2.2
165.01900	10.2
166.02629	12.0
167.03424	10.5
175.02406	3.4
175.03964	3.0
176.03423	6.8
177.01837	2.4
178.04959	2.0
179.03461	12.2
179.05511	4.5
188.03458	4.1
191.03442	2.7
193.01421	3.1
200.07028	3.4
205.01270	1.9
206.04539	57.7
207.04840	4.8
209.04384	2.3
209.11809	1.9
213.05418	2.1
223.07770	2.6
227.12834	2.9
236.05548	7.1
239.06955	1.9
252.06667	2.5
253.05003	4.2
265.05048	4.8
266.05301	2.3
267.06613	30.4
268.03583	3.2
268.06293	6.7
269.04453	5.4
279.06424	4.1
281.04541	5.5
282.07727	5.0
283.06067	5.8
293.04483	3.0
295.06097	67.8
296.06387	8.4
297.03891	2.8
298.04663	5.7
298.56302	2.2
299.05576	3.0
306.07660	2.1
307.06107	6.9
309.04117	2.4
310.07339	10.4
311.05411	19.5
312.06070	5.8
313.07172	2.2
324.08850	2.3
325.07123	23.2
326.07486	2.8
327.05139	3.3
334.07202	6.9
337.07010	2.6
339.05121	5.7
340.08392	3.1
341.06589	4.4
352.04880	5.0
352.08255	100.0
353.08475	5.6
355.04398	2.6
367.04471	4.2
369.06107	4.3
382.09433	26.3
383.09509	3.7
385.05695	3.1
415.10458	5.8
436.10321	5.2
471.09302	6.9
472.14630	40.5
473.15128	4.1
487.08743	7.7
488.09299	2.8
489.10443	3.3
505.09848	6.8
506.10242	3.4
514.10162	2.1
529.21362	3.2
559.28430	2.2
561.16077	30.7
562.16553	5.0
577.15637	7.3
591.13397	6.8
600.15985	3.7
618.18164	71.9
618.33960	18.3
619.18231	16.0
619.26758	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	618.146
Annotation	Unknow
Peak:m/z	Relative Intensity
69.20794	29.0
97.60064	2.5
105.05142	2.8
109.02818	6.3
133.02838	20.0
135.04456	4.2
137.98491	2.5
161.02379	4.3
175.03918	5.9
177.01878	3.8
177.05608	3.0
191.03307	3.3
228.09320	2.7
231.02867	2.7
233.04382	4.1
267.06686	3.3
293.04865	4.8
297.04086	7.3
298.04816	20.0
299.05551	15.1
309.04196	3.7
311.05569	15.6
312.06348	24.2
313.07129	16.1
323.05624	5.2
327.05057	27.0
339.04977	37.3
340.05591	6.1
341.06683	14.1
343.04254	4.0
344.05804	5.3
353.06470	6.5
355.04544	8.2
357.06104	6.8
367.04596	20.6
368.05026	5.2
369.06131	100.0
370.06421	10.9
371.07458	3.1
379.04477	3.4
381.06033	7.1
383.07935	3.4
385.05579	21.5
386.06140	3.5
393.06656	2.9
397.05441	13.3
399.07144	42.6
400.07385	6.4
407.08514	2.9
409.05359	3.5
415.06641	13.8
453.08279	4.9
460.58640	3.1
471.09372	18.7
472.09393	5.4
487.08664	6.4
488.08817	3.4
489.10321	20.9
490.10767	3.6
498.10443	11.6
501.10257	4.0
505.09833	37.7
506.10345	5.7
573.12689	6.3
591.13470	51.2
592.13776	7.7
618.14600	66.2
619.15039	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	617.3075
Annotation	Unknow
Peak:m/z	Relative Intensity
54.36928	0.5
59.01258	1.6
61.98701	100.0
71.52806	0.6
71.98351	0.4
75.66794	0.6
78.95785	0.9
109.77685	0.5
152.99496	0.5
201.14047	0.5
243.51587	0.5
277.21841	0.6
278.22165	1.0
279.22687	0.8
284.48239	0.7
382.54285	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.4057
Annotation	Unknow
Peak:m/z	Relative Intensity
54.16040	1.2
57.03311	2.2
59.01259	3.0
62.64423	1.4
71.01251	1.4
71.07068	3.2
71.12317	1.1
78.95784	9.1
80.02520	1.9
81.03314	2.1
83.04906	1.8
95.04892	2.3
96.96803	1.5
97.02840	3.3
97.06425	2.9
99.07991	1.4
109.06435	2.4
113.09632	2.4
118.89030	1.6
123.04431	2.6
123.08077	2.0
125.09604	5.2
127.07507	1.8
135.08047	3.3
137.09607	3.4
141.05473	4.0
141.09097	2.3
153.09096	10.2
163.11174	7.4
165.12738	3.1
167.14305	2.2
171.10170	14.3
181.12245	4.1
183.13727	1.7
185.11688	6.6
191.14316	7.7
193.12315	1.6
197.11681	2.4
207.10156	2.9
209.11794	9.3
211.13315	4.4
221.15450	1.7
225.11333	4.8
240.13542	1.7
245.19090	20.1
246.19312	1.7
247.20697	2.8
263.20102	2.1
271.17114	2.6
273.18585	2.4
279.19681	1.6
289.18076	77.8
290.18555	7.2
291.19653	31.8
292.19852	2.0
307.19131	100.0
308.19458	11.2
309.20697	93.4
310.20978	9.2
325.20166	32.6
326.20517	2.8
357.08972	2.1
427.28061	1.8
445.30005	2.0
581.38440	4.4
599.39514	3.3
617.29657	3.9
617.39917	3.3
621.52234	1.6
621.79803	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	618.1462
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98735	1.5
53.39940	1.4
54.30415	1.8
59.67802	1.8
67.32256	1.6
69.23255	15.6
89.02318	2.0
98.20287	7.6
109.02824	4.8
113.15762	1.6
116.47076	1.7
133.02832	18.2
134.03638	2.7
135.04424	3.6
149.02361	2.0
161.02376	3.6
163.03955	3.1
163.87883	1.8
175.03891	4.5
177.01770	5.0
177.05516	2.1
179.03450	2.0
187.47165	1.8
191.03419	2.8
201.01801	5.4
203.03419	3.4
205.01323	4.0
231.03107	3.0
235.02315	1.8
239.06935	1.8
261.04312	2.0
267.06573	2.8
269.04831	2.1
272.97125	2.0
276.66766	1.8
281.04459	2.3
283.06097	4.1
285.04010	2.9
288.88058	1.8
293.04575	2.2
297.04004	5.6
298.04816	19.4
299.05524	14.8
309.03983	3.9
309.07504	1.8
310.04959	2.1
311.05566	19.8
312.06381	23.5
313.07117	16.1
323.05667	6.2
325.03522	3.7
325.07022	3.7
326.03668	1.9
327.05060	28.9
328.05460	3.1
337.03134	2.9
339.05042	37.7
340.05615	3.1
341.06613	8.2
344.05307	3.9
351.05161	2.8
353.06616	5.5
355.04623	12.3
357.06161	6.7
367.04553	19.0
368.04800	3.4
369.06104	70.2
370.06442	6.8
372.04681	4.2
379.04648	3.3
381.06073	6.0
385.05688	19.4
386.05841	2.3
397.05524	8.3
399.07111	20.6
400.07373	2.9
411.07336	2.4
415.06525	9.9
435.07135	2.6
441.08139	2.3
447.09302	2.7
453.08124	6.8
471.09375	21.6
472.09003	2.4
483.08865	2.5
487.08694	7.1
488.09488	6.1
489.10297	25.6
490.10474	2.4
501.10196	5.1
505.09808	46.3
506.10110	5.7
573.12585	12.9
591.13538	100.0
592.13922	18.1
618.14404	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	617.2664
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07772	2.7
58.00470	4.1
59.01249	32.2
61.98698	3.5
69.18980	35.2
71.01256	34.3
73.02801	9.2
83.01257	7.3
85.02820	16.1
89.02332	13.6
90.36849	3.2
95.01254	3.9
99.00754	6.1
101.02322	42.1
113.02320	16.8
119.03375	5.8
129.01875	3.4
161.04448	9.6
165.05424	3.9
168.50642	3.8
249.13495	21.2
395.19241	24.8
408.86676	3.5
557.24475	100.0
558.24994	12.8
617.25159	4.8
618.14673	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	617.2614
Annotation	Unknow
Peak:m/z	Relative Intensity
55.90226	1.3
57.03294	1.8
59.01246	27.3
61.98706	9.3
70.41460	1.6
71.01250	9.2
71.50362	2.3
72.99162	3.9
73.02802	3.7
74.02300	1.9
75.80481	1.5
78.95757	2.5
80.04926	3.2
85.02818	6.6
85.47825	1.8
87.00702	1.9
89.02303	5.3
94.06477	3.4
95.76060	1.5
96.95869	6.9
101.02310	6.6
106.06501	21.4
108.08056	4.6
113.02306	4.2
115.00237	1.9
118.06526	1.7
119.03381	3.6
122.05980	5.1
124.07539	3.5
128.03441	2.0
132.04428	7.3
132.08072	13.3
134.06021	7.6
134.09607	3.5
136.07553	5.6
139.03952	10.2
139.07472	1.6
143.04507	4.9
144.04431	6.1
146.06007	4.4
148.07582	2.7
152.07100	12.4
158.06003	1.9
160.07619	8.6
161.04430	2.2
162.05460	5.6
166.26941	1.6
171.10185	23.0
176.07115	3.1
178.04993	4.5
179.05502	2.0
183.09184	2.5
196.09940	2.2
200.09445	4.4
209.11938	13.4
211.12277	4.4
212.09508	6.2
213.10271	4.6
214.11032	5.1
215.11806	27.2
223.08649	9.0
224.09340	3.8
225.10219	7.5
226.11012	7.6
227.11740	38.3
228.12187	2.8
229.13383	24.5
235.08369	2.0
236.09430	4.8
237.10269	5.9
238.08765	3.3
238.11072	55.4
239.11586	9.2
241.09792	3.5
242.10388	2.2
242.11987	1.6
243.11162	2.9
249.10123	2.0
251.11864	20.0
252.12434	3.8
253.09302	3.8
253.13417	88.0
254.10590	4.0
254.13676	6.6
255.11209	2.6
257.12915	91.1
258.13272	6.7
259.10925	1.6
269.12921	13.5
279.11270	2.2
285.12430	5.8
295.10687	2.0
297.12402	10.3
301.11957	7.2
306.07678	4.1
311.05536	2.0
313.11908	19.1
314.12283	2.3
315.13507	41.4
316.13855	3.7
319.12878	3.6
323.10272	6.9
341.11322	30.6
343.96597	1.8
357.10809	6.9
372.16742	2.0
390.18304	2.4
394.17459	4.6
405.16785	5.2
406.17682	2.0
411.07208	3.5
436.18665	36.6
437.18964	5.0
454.19626	8.0
462.20502	3.0
527.22241	1.8
537.25000	5.9
539.22986	4.0
555.26318	1.9
557.23590	10.5
569.23694	4.2
581.23755	9.7
587.25116	5.3
599.25073	55.7
600.25519	13.0
617.26056	100.0
618.26447	18.3
618.35364	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	616.3487
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	63.2
61.96526	0.7
68.01278	3.4
70.19231	0.8
70.71417	0.8
70.71732	1.6
71.01241	3.5
85.02818	1.1
85.16993	0.7
86.50732	0.8
101.02316	0.9
108.37444	0.7
110.02346	1.4
113.02335	1.3
131.16667	0.7
147.04448	1.5
161.04459	3.2
279.23285	100.0
280.23630	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	617.2614
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09784	1.3
56.20151	1.2
57.03329	1.5
57.73533	1.2
59.01247	23.0
61.98684	4.1
70.64442	1.2
71.01257	9.4
71.50751	1.6
72.99163	2.2
73.02798	2.7
75.00730	1.9
80.04910	4.5
83.01244	1.6
83.04874	1.9
85.02806	2.7
87.00726	2.5
89.02303	4.7
92.04916	3.7
93.93930	1.4
94.06480	2.7
94.86088	1.3
95.04875	2.1
96.95872	6.3
96.96842	1.8
97.06429	1.8
99.00746	1.3
99.05457	1.4
101.02325	5.2
106.06509	27.2
108.08062	3.8
113.02309	4.4
116.92703	1.9
119.03392	1.3
122.05992	4.0
124.07536	5.3
132.04440	6.5
132.08093	14.2
134.05995	6.2
134.09601	3.2
136.07544	5.1
139.03879	10.0
143.04497	3.5
144.04466	6.7
146.06010	3.3
152.07098	11.9
160.07568	9.2
161.04445	2.4
162.05498	5.8
171.10179	15.5
172.10507	1.7
175.02315	1.8
176.07008	4.5
178.04964	4.8
179.05602	1.5
183.09222	2.6
195.08911	1.6
197.10745	1.4
200.09424	3.6
209.11662	8.7
210.07961	1.7
211.08675	1.5
211.12273	8.4
212.09428	6.1
213.10205	3.3
214.08658	1.8
214.10910	2.8
215.09731	1.4
215.11812	32.1
216.12180	2.2
223.08719	8.8
224.09258	3.9
225.10216	7.2
226.10997	10.6
227.11841	51.1
228.12112	3.3
229.13432	21.8
230.13835	1.7
236.09399	4.4
237.10315	9.7
238.11070	58.2
239.11627	9.5
241.09669	1.8
242.10091	1.9
242.11969	3.5
243.11374	2.9
249.10202	2.1
251.11859	18.5
252.12462	3.2
253.13435	92.1
254.10606	4.5
254.13680	8.7
255.11235	3.4
257.12927	92.5
258.13245	7.3
267.11368	1.8
269.10181	1.7
269.12939	15.1
271.10760	1.6
272.08829	2.3
272.11554	1.9
275.13861	3.1
279.11301	3.3
285.12354	8.3
295.10751	2.1
297.12439	9.0
301.11786	7.1
302.12411	1.6
308.07523	1.8
311.10086	2.0
313.11966	21.5
314.12125	2.0
315.13483	38.6
316.13846	2.7
319.12906	4.7
323.10422	8.0
341.11407	34.2
342.11716	4.1
357.10950	10.1
368.58032	1.7
394.17599	4.1
405.16794	5.8
406.17502	4.0
406.24606	1.5
436.18729	35.3
436.24130	1.2
437.18884	4.1
454.19797	10.5
462.20172	4.1
527.23431	2.0
537.24713	5.2
539.22943	2.9
555.26331	2.1
556.26862	2.1
557.24005	10.0
569.23975	6.1
581.24036	9.8
582.24524	2.4
587.25134	4.6
599.25043	52.1
600.25269	12.6
617.26007	100.0
618.17206	1.9
618.26428	22.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	616.2905
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02851	5.7
59.01247	6.9
61.98700	3.3
69.16798	1.7
69.17216	4.6
71.01250	4.8
72.00765	0.9
72.99186	1.2
73.02853	1.5
74.02347	14.2
82.02845	1.2
83.01261	0.6
84.04452	0.8
85.02819	1.7
85.23392	0.7
86.02350	4.6
86.68136	0.6
86.98962	1.0
87.00757	1.0
87.05515	2.5
89.02312	1.9
90.00072	1.2
95.04854	0.7
96.95893	9.0
97.03936	1.4
98.20413	2.4
99.05520	10.7
100.00315	1.1
101.02334	2.7
101.07087	1.4
102.05475	1.3
107.06018	0.7
109.03954	1.2
109.07600	0.9
111.05553	0.7
112.03947	1.8
113.02330	1.9
115.00290	0.6
116.01633	1.0
120.01113	0.8
120.99531	0.6
123.05533	0.9
124.03934	0.9
125.03482	1.5
126.01874	0.6
127.05011	2.0
128.03427	32.7
129.03725	0.9
135.05560	3.5
139.03925	3.1
141.06592	2.3
143.04524	42.0
145.06052	1.3
146.04510	3.8
149.07045	0.8
153.06596	3.0
155.08215	0.8
160.00652	12.2
166.09753	1.8
167.04512	3.6
167.08176	2.2
171.10168	7.1
174.01669	0.7
177.03290	4.8
179.04492	10.3
179.05830	0.7
181.06084	1.3
185.05595	1.9
192.07773	1.0
197.05591	1.7
203.98401	0.5
209.11768	2.0
210.08769	8.4
225.11345	0.9
227.12813	2.7
236.30553	0.7
242.07870	1.4
254.07794	12.7
272.08908	21.7
273.09097	1.5
277.05060	1.7
288.06601	9.2
306.07648	100.0
307.07895	7.1
308.07614	0.7
343.19659	0.7
519.32214	1.0
553.23340	0.7
563.08740	0.8
616.28699	3.6
617.28491	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	616.2034
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13560	0.5
59.01266	0.7
61.98700	100.0
69.82159	1.2
69.82554	1.2
80.52824	0.6
85.53755	0.6
92.80338	0.5
96.95897	0.5
98.20515	1.0
105.92454	0.5
113.79517	0.6
146.08212	0.6
195.06902	0.7
275.35666	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	616.2908
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73621	0.5
58.02845	5.9
59.01244	3.9
61.98704	6.5
62.55687	0.6
70.02840	0.6
71.01238	1.5
71.50517	0.6
71.50949	1.2
72.99181	1.0
74.02343	14.9
75.00740	0.8
82.02856	1.2
83.34328	0.5
85.02782	0.6
86.02349	4.5
86.05978	0.8
87.05486	3.0
89.02286	0.9
90.00063	1.6
96.91193	0.7
96.95914	0.7
97.03938	1.1
99.05519	11.6
100.00324	0.7
101.02306	0.8
101.07082	1.4
102.05440	1.6
102.06072	0.6
107.05999	0.8
109.03939	1.4
111.05517	1.4
112.03919	1.2
113.02389	0.7
113.03492	0.9
116.01633	1.0
119.62018	0.5
123.05493	1.0
124.03905	0.8
125.03436	1.4
127.05000	2.3
128.03427	33.4
129.03769	0.7
129.99518	0.8
135.05507	2.9
137.07143	0.8
139.03899	0.6
141.06580	3.1
141.76520	0.6
143.04526	43.9
144.04814	0.7
145.06110	1.1
146.04472	3.4
153.06609	2.9
159.99327	0.7
160.00644	13.0
166.09720	1.4
167.04532	3.2
167.08134	1.4
171.10167	14.0
177.03290	3.9
179.04559	8.8
181.06088	0.9
184.10867	0.7
185.05569	1.7
197.05560	1.5
198.08818	1.0
209.11766	9.8
210.08810	7.6
218.22389	0.6
227.12828	2.4
228.09734	0.6
242.07758	1.3
253.09392	1.2
254.07819	10.5
272.08856	19.6
273.09085	1.4
288.06589	6.6
306.07632	100.0
307.07971	7.2
309.02219	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	615.2503
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01243	44.1
61.77736	4.0
61.98687	8.8
64.64896	3.3
69.80376	17.1
69.80787	8.3
71.01250	38.1
73.02811	18.1
85.02814	9.9
89.02310	32.3
92.98660	4.6
98.19831	5.6
99.53832	3.8
101.02319	38.5
103.03886	4.8
103.94446	3.7
104.73921	4.1
113.02319	17.3
119.03379	16.6
131.03387	7.3
143.03407	7.1
145.04935	7.6
153.03310	4.1
161.04442	8.7
163.05998	12.6
164.73965	3.7
179.05486	12.7
191.49860	4.2
205.07100	9.2
261.64343	5.0
367.12466	43.0
368.12796	4.9
393.17618	15.2
427.14450	4.8
555.22937	100.0
556.23462	11.7
579.13922	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	616.2035
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98701	100.0
70.66296	0.8
70.66635	1.3
71.01294	0.7
73.16067	0.5
83.64214	0.6
87.00772	0.7
88.98695	0.9
96.78017	0.6
97.19226	0.6
98.02408	0.7
106.91907	0.5
139.46454	0.6
150.94908	0.6
221.14226	0.6
286.84869	0.8
426.80774	0.6
439.52701	0.6
534.89606	0.6
550.84039	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	614.3333
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07740	0.4
59.01246	65.9
60.01567	0.5
64.90157	0.5
68.01285	4.2
71.01247	4.3
71.51514	1.0
73.02801	0.6
85.02821	1.2
99.00761	0.5
99.63200	0.5
101.02331	1.2
110.02373	1.4
113.02341	1.9
135.04404	1.3
147.04424	1.4
152.99574	0.6
160.25323	0.5
161.04436	4.5
161.05600	0.6
164.32106	0.5
188.05582	0.6
243.23996	0.6
277.21698	100.0
278.22058	9.6
630.47278	0.5
642.23212	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.208
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01259	0.7
61.98701	13.6
64.14697	0.6
70.99238	1.3
71.01225	0.7
77.72036	0.5
83.03185	0.5
93.03323	2.5
109.02843	0.6
110.24046	0.5
121.02859	3.6
122.03604	1.2
124.93737	0.5
134.03638	1.4
135.04396	3.8
136.01543	0.7
137.02353	1.1
138.00650	0.5
149.02339	23.5
150.03131	9.1
151.03853	1.6
152.01051	6.4
163.03928	6.3
164.04695	13.3
165.01784	2.8
165.05489	8.2
167.03473	0.8
169.04977	2.7
177.05331	0.7
179.07031	6.8
180.04280	1.0
193.01340	20.9
193.04974	1.5
194.01752	0.8
195.06590	4.1
208.03705	35.1
209.04192	3.2
222.05182	0.9
223.06059	100.0
224.06393	6.4
237.07663	1.4
329.10172	0.8
463.17780	1.1
473.14459	1.3
494.30542	0.6
567.18958	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	614.2753
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12005	0.3
52.87155	0.2
58.02851	6.1
59.00999	0.3
59.01242	1.8
61.98703	1.3
66.03366	0.8
70.02862	0.9
70.46714	1.1
71.01253	1.0
72.00770	1.1
72.82935	0.3
72.99171	0.6
74.02346	12.9
76.36145	0.3
80.03705	0.4
81.04474	0.8
82.02870	1.8
84.04414	0.6
85.02826	0.5
85.03943	0.5
86.02347	5.1
86.06001	0.9
86.98978	1.3
87.05513	3.5
88.03937	0.4
89.02312	0.3
90.00077	1.2
96.04422	0.7
96.95888	0.5
97.03934	1.7
99.05524	12.4
101.02340	0.5
101.07094	1.9
102.05489	1.7
107.06041	0.7
109.03973	1.4
109.07607	0.5
111.05511	1.4
112.03938	1.6
113.03460	0.5
113.07118	0.4
116.01649	1.1
116.68648	0.3
120.01144	0.7
123.05530	0.9
123.96828	0.3
124.03935	0.9
124.07590	0.3
125.03451	1.2
126.01904	0.5
126.04222	0.3
127.05010	2.1
128.03432	35.2
129.01880	0.4
129.03754	0.6
129.99547	0.3
131.04543	0.9
135.05527	3.0
137.07072	0.8
139.01338	0.5
139.03915	0.7
139.05005	0.4
141.06595	3.0
143.04529	44.4
144.01175	0.3
144.04866	1.0
145.06090	2.0
146.04492	4.1
149.07111	0.6
151.07648	0.4
153.06602	3.7
160.00656	13.1
161.00964	0.4
166.09816	1.9
167.04517	3.3
167.08133	1.4
169.75815	0.3
170.03255	1.0
171.04008	0.7
171.07658	0.8
171.10179	0.6
177.03320	5.1
179.04538	9.6
181.06087	1.3
184.10858	0.6
185.05592	1.7
192.07698	0.9
197.05589	1.3
198.08730	0.6
210.08783	8.2
211.09171	0.5
225.11226	0.7
228.09868	0.7
231.04381	0.4
240.96194	0.3
242.07719	1.1
254.07822	12.2
255.08072	0.6
272.08899	22.2
273.09219	1.2
288.06619	8.6
289.06946	0.4
306.07651	100.0
307.08008	6.2
355.04303	0.3
614.27740	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.2499
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30967	4.6
59.01250	60.5
60.65156	4.8
61.98699	35.2
71.01259	23.4
71.49591	4.7
73.02823	8.4
83.51015	4.7
85.02825	7.4
89.02328	7.2
101.02318	11.7
101.21146	5.8
101.28799	5.0
113.02324	6.6
137.27222	6.2
150.03107	9.4
151.03668	5.5
165.05458	6.8
165.23257	5.6
197.07928	5.2
269.30090	5.1
384.49191	5.2
404.87332	5.2
509.23746	14.2
527.24963	11.1
569.26044	100.0
570.26123	14.7
600.09039	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	613.4451
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03317	1.1
59.01230	1.7
71.53173	1.4
78.95789	1.6
95.04865	1.2
125.09599	1.2
160.59531	1.0
171.10182	41.9
172.10515	1.7
194.36218	1.0
195.13879	2.2
209.07866	1.2
249.22153	2.1
255.23262	4.0
277.21719	51.9
278.22156	5.2
295.22775	100.0
296.23096	8.5
317.20950	42.3
318.21283	3.1
361.19873	8.0
452.27850	1.9
576.65833	1.2
613.44440	67.2
614.34320	1.7
614.44775	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	614.2752
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02850	6.9
59.01253	2.0
61.98697	1.4
66.03344	0.8
66.62090	0.4
69.38533	2.8
70.02859	0.6
71.01240	1.4
72.00774	1.1
72.99164	0.5
74.02345	15.5
78.79032	0.4
81.04430	0.6
82.02849	1.6
84.04427	0.7
85.03929	0.5
86.02338	5.6
86.05997	1.1
86.46369	0.4
86.91316	0.4
86.98982	1.2
87.05502	3.6
88.03911	0.5
89.02304	0.6
90.00063	0.9
95.05984	0.4
96.04414	0.5
97.03950	2.2
99.05517	12.1
101.02302	0.6
101.07070	1.6
102.04862	0.5
102.05463	2.4
107.06025	0.7
109.03938	2.1
109.07575	0.8
111.05534	1.1
112.03914	1.8
113.03458	1.0
113.07072	0.5
116.01630	1.2
120.01152	1.0
123.05513	1.5
124.03973	0.7
125.03447	2.0
126.01818	0.4
127.04207	0.5
127.05000	2.7
128.03432	37.3
129.03770	1.2
129.99562	0.6
131.04530	0.9
135.05536	5.1
137.07094	1.1
139.03893	1.1
139.04929	0.5
141.06590	2.4
143.04533	48.8
144.04906	1.0
145.06049	1.9
146.04514	4.4
153.06622	3.6
160.00659	13.1
161.00851	0.4
166.09778	2.1
167.04515	2.7
167.08192	2.0
170.03244	1.0
171.03969	0.6
171.10129	0.6
177.03290	5.0
179.04549	10.4
180.04961	0.4
181.06097	1.3
184.10782	0.6
185.05650	1.9
192.07729	0.9
197.05620	1.8
198.08731	0.4
210.08815	8.1
211.08922	0.5
213.03369	0.6
225.11409	0.7
228.09793	0.4
235.99040	0.4
242.07686	1.0
244.85680	0.4
254.07794	14.5
255.08058	1.0
272.08871	26.6
273.09183	1.2
288.06577	9.3
289.06912	0.9
306.07645	100.0
307.07959	7.5
308.07568	0.5
579.80426	0.4
614.27301	1.9
615.28015	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98714	14.8
69.28445	26.0
75.00755	6.1
93.03349	7.2
97.83582	2.8
98.20564	6.8
109.02859	5.2
116.64014	2.7
121.02847	4.7
122.03650	16.2
136.01505	6.1
137.02350	15.3
149.02356	34.9
150.03134	99.3
150.04332	5.5
151.00221	5.0
151.03644	4.5
152.04720	3.6
164.04663	5.1
165.01805	12.4
165.05482	100.0
166.02621	14.2
179.03436	3.7
180.04161	10.5
181.04974	23.3
187.03931	4.0
195.06532	59.9
196.07010	3.0
205.04909	5.2
225.07571	4.8
282.09708	3.2
329.10413	3.6
368.68756	2.8
387.14264	9.1
403.13831	4.6
417.15472	26.7
418.15594	4.3
535.19244	5.3
565.20685	54.1
566.20966	13.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00638	2.2
59.01254	12.2
60.89119	3.0
61.98701	75.5
69.03321	6.4
69.25357	20.6
71.01254	12.0
73.02809	4.0
75.00745	8.9
81.03324	10.1
82.99884	2.3
83.01256	14.7
85.02828	16.5
87.00747	4.7
89.02331	2.8
93.03317	6.9
95.01247	6.9
95.04870	7.1
97.02838	13.7
99.00761	5.5
101.02319	7.1
107.04886	4.1
108.01987	4.6
109.02824	16.0
109.42950	2.3
111.00745	5.9
111.04410	6.2
113.02325	4.6
115.59695	2.1
119.04895	11.2
121.02795	8.2
123.00777	3.7
123.04387	16.1
125.02328	26.2
133.02849	5.8
135.04396	16.5
137.02342	20.2
137.06027	3.3
139.00264	4.4
139.03903	20.7
141.01811	10.1
147.04387	3.9
149.02325	7.6
149.05939	4.5
150.03053	3.3
151.00272	3.4
151.03874	19.3
152.04227	3.4
153.01826	32.6
153.05495	2.6
154.02600	6.4
161.06039	2.8
163.00299	2.7
163.03894	9.6
164.01093	3.8
164.04663	3.8
165.01845	10.8
165.04120	5.4
165.05482	12.5
166.02438	3.3
167.03416	40.4
168.03935	3.1
175.03897	3.8
177.01910	4.2
177.05446	3.4
179.03421	38.2
180.03860	2.5
181.01353	21.2
181.04942	5.0
182.02055	15.1
183.02901	9.5
189.05479	11.8
191.03445	15.5
193.01329	3.8
193.05026	12.4
193.36353	2.8
194.05186	2.2
195.02927	9.0
196.03648	6.7
197.04379	6.3
202.81868	2.8
207.02902	10.0
207.04970	7.7
209.04515	27.6
213.03865	2.6
219.02928	9.1
221.04485	26.6
221.06407	3.7
224.03076	3.6
225.03973	64.6
226.04347	3.0
233.04512	3.3
237.03967	4.3
239.05472	11.4
247.05949	2.5
249.03931	5.4
251.05530	12.0
255.05052	27.6
263.05579	9.0
267.05078	2.8
273.07791	2.7
281.06689	5.8
285.07980	18.2
289.07263	12.4
293.06680	9.3
297.07645	4.4
303.07425	3.4
315.08621	4.9
323.07739	4.1
325.07043	3.3
327.08899	21.9
330.07376	7.8
331.07974	6.1
343.08139	4.6
345.08252	25.9
357.09509	3.2
373.09238	47.7
374.09561	5.4
387.10876	7.9
401.08780	3.3
403.10321	38.4
405.11926	17.8
423.12759	5.2
433.11530	12.6
457.11227	2.8
463.12350	4.0
465.12778	4.4
475.12454	14.0
493.13516	75.7
494.13870	10.0
505.13596	5.1
523.14624	5.2
595.16492	5.0
613.17645	100.0
613.27905	5.0
614.18304	18.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03313	12.5
59.01253	100.0
61.98698	72.1
67.47312	12.7
68.99636	11.1
69.03326	21.1
69.99312	11.6
71.01265	95.6
72.99170	12.2
73.02811	35.7
74.87089	12.1
75.00762	19.4
78.95782	17.7
81.03330	44.2
82.85513	12.8
83.01259	58.5
85.02804	74.9
87.00758	24.8
89.02316	47.4
93.03316	17.8
95.01270	31.4
95.04922	15.3
96.95882	94.4
97.02824	36.5
99.00761	21.3
99.04407	17.7
100.24055	11.4
101.02316	70.5
101.78673	11.8
108.02013	15.5
109.02845	55.2
111.00770	38.5
111.04379	13.4
113.02320	39.4
119.03408	20.0
121.02830	32.4
123.00772	24.3
123.04404	54.0
125.02309	63.2
133.02850	16.9
135.04388	17.8
136.01588	15.6
137.02321	76.9
139.03986	18.1
141.01926	14.6
145.02809	12.8
147.08052	13.0
149.02357	30.0
149.05989	30.9
150.03116	19.5
151.02594	14.2
151.03862	33.9
153.01852	34.3
163.03944	16.7
165.01822	56.5
165.05481	39.4
166.02617	16.0
167.03430	52.0
167.08070	12.8
173.05977	61.7
175.02327	12.2
177.01868	17.3
179.03409	36.2
179.05615	12.7
181.05077	21.8
187.07579	13.2
191.03468	15.8
193.04906	17.3
194.01997	13.3
195.06567	28.5
201.05574	12.3
209.04471	44.1
213.09088	32.4
215.07083	17.9
215.16554	28.6
225.07559	14.8
227.07014	17.6
239.05450	16.7
241.08681	18.1
253.08673	21.4
257.08090	59.3
269.08173	36.1
272.08984	19.4
281.08282	20.9
283.09622	14.6
285.07660	87.9
287.09363	17.6
297.07678	33.8
299.09311	26.3
306.07578	21.9
311.09277	37.8
325.07339	24.4
341.10184	36.5
347.11307	25.3
352.59381	11.7
355.08282	19.9
371.11411	19.4
373.09299	23.8
399.10992	11.7
403.10324	27.4
405.11853	62.3
431.13705	26.5
433.11734	21.6
448.05557	13.2
475.12335	37.0
493.13477	20.1
566.20697	15.0
595.16455	23.1
613.17072	23.8
613.34357	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	613.1411
Annotation	Unknow
Peak:m/z	Relative Intensity
54.51297	5.1
59.01247	17.1
60.62341	4.6
61.98702	100.0
71.01254	15.9
75.00729	6.4
78.28938	4.0
80.96379	12.3
81.03326	6.2
82.33938	4.5
83.01254	13.9
85.02840	11.6
89.02314	9.6
93.03317	7.5
95.04874	6.4
97.02852	13.7
98.20198	37.1
99.00800	10.6
101.02299	6.7
107.01272	5.4
109.02848	22.7
110.41412	4.6
111.00763	10.9
111.04386	6.5
113.02333	5.9
119.04874	5.2
121.02868	9.4
123.00769	5.9
123.04391	15.8
125.02348	26.7
128.88319	5.2
131.03305	5.1
133.02827	14.7
135.04390	9.6
137.02335	19.3
139.03860	10.2
145.52989	4.9
149.02342	24.0
151.03920	15.5
153.01843	18.4
161.02333	6.5
163.00227	9.9
163.03925	12.0
165.01825	17.1
165.05417	8.7
167.03374	18.5
175.00450	4.7
175.02403	5.4
175.03896	12.3
176.01012	5.2
177.01833	18.3
179.03394	15.0
181.01353	8.1
183.02898	5.3
189.01799	5.9
190.99715	6.4
191.03398	19.0
192.03708	5.6
193.01311	16.6
195.02948	12.0
196.03578	4.5
197.04510	6.3
197.37755	4.9
201.01967	4.4
203.03238	7.1
205.01445	6.6
205.23099	5.1
207.02931	13.8
208.03488	7.0
209.00850	11.5
209.04489	16.7
209.11670	5.1
217.04964	5.2
219.02919	9.5
221.00972	5.4
225.04022	6.5
229.05286	5.7
235.02461	42.2
239.05637	11.1
247.02432	6.8
249.03951	10.6
251.02214	5.2
261.03983	7.5
265.03378	11.5
267.05106	5.9
273.06171	10.6
277.03522	7.6
293.03104	5.7
295.04602	7.3
297.06458	6.9
299.05145	5.8
300.06317	5.4
301.07233	6.9
304.22675	4.8
307.04572	9.8
315.04974	6.7
323.03989	7.3
325.06018	8.1
327.05026	11.2
329.06683	14.4
329.76172	5.0
339.05225	5.5
351.06989	5.9
353.05463	7.3
355.04575	6.8
357.06091	8.8
369.06171	13.8
377.10757	10.2
384.40048	5.1
385.05557	9.3
399.07114	13.9
401.04913	7.6
403.06442	5.5
419.11414	7.8
433.11618	8.0
439.17325	6.1
445.07758	5.7
450.06726	6.0
459.10794	7.2
465.27023	6.6
475.08691	5.6
477.12344	7.0
491.08493	7.4
493.09995	5.4
509.09192	22.2
523.10492	13.2
561.12567	10.0
562.13153	13.0
563.13965	31.6
579.13159	7.3
580.14185	14.8
595.12738	14.1
613.14020	58.6
613.29846	8.6
614.14368	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	613.1325
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02417	0.5
59.01237	0.7
60.31084	0.5
61.98696	5.1
69.33874	3.7
69.34277	0.7
71.01244	1.0
77.03845	0.6
79.01789	0.6
85.65575	0.5
92.45406	0.5
92.46609	0.5
101.02348	0.5
105.03346	0.6
109.49364	0.5
121.02817	0.7
122.26876	0.5
125.02301	0.9
128.69926	0.5
143.04852	0.8
145.02882	0.8
152.99573	0.6
165.01811	0.8
167.08604	0.6
174.01656	0.7
175.06041	0.5
178.02293	0.6
181.06462	1.2
211.13295	1.4
223.07587	2.8
237.05602	0.7
253.04990	1.9
263.07135	1.0
265.05151	3.0
266.05795	2.0
267.06619	30.9
268.06860	2.7
277.05023	1.3
279.06583	4.4
293.04431	0.8
295.06104	53.1
296.06445	4.8
298.04730	1.9
307.06122	5.6
308.06210	0.8
325.07169	13.7
326.07562	0.8
337.07196	1.3
369.06155	0.7
371.22745	0.6
399.07559	0.7
415.10330	100.0
416.10696	11.4
439.17465	1.2
457.11349	0.7
577.15869	3.0
643.02368	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.1406
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01229	7.3
71.01260	12.0
71.12717	4.1
71.30143	8.8
75.00746	4.1
81.03336	15.8
83.01258	19.4
85.02814	6.8
93.03300	21.5
95.01273	7.0
95.04887	5.6
97.02824	16.3
99.00761	6.6
99.04357	6.0
107.01265	13.1
107.04891	5.9
108.02098	3.9
109.02831	20.3
111.00735	6.8
111.04374	11.4
113.02338	5.6
117.03340	10.0
121.02843	17.8
123.00758	11.4
123.04401	24.5
124.01583	4.7
125.02339	44.8
125.20003	4.5
133.02843	11.7
135.00658	4.9
135.04411	15.5
137.02351	35.7
139.00214	5.0
139.03909	14.3
147.04388	11.8
149.02368	25.5
150.03084	4.9
151.00279	5.2
151.03918	22.3
152.04367	4.9
153.01831	31.6
161.02264	9.0
163.00273	13.8
163.03941	13.1
165.01842	23.0
165.04056	3.9
165.05475	7.5
166.02544	8.5
167.03412	43.2
175.03934	11.2
177.01898	29.7
178.02492	7.5
179.03435	31.2
180.04109	13.3
181.01308	10.0
181.04938	8.1
183.02893	8.2
185.06107	3.9
189.01794	6.1
190.02570	5.6
191.03473	27.5
193.01392	27.4
193.04970	5.9
195.02893	24.1
197.04507	8.0
203.03395	9.8
205.01329	17.5
207.02986	27.8
207.04782	7.9
208.03535	6.7
209.04497	62.0
210.04993	4.6
215.03419	5.1
217.01404	5.5
219.02963	51.3
220.03676	5.0
221.00850	12.9
221.04527	11.3
223.02425	25.5
225.03967	16.9
233.04503	8.1
235.02438	38.1
236.38957	4.1
237.04033	11.2
239.05560	19.6
243.06514	5.5
247.02486	13.3
249.03947	17.0
251.01877	11.1
253.03261	6.4
255.06644	5.9
263.01865	8.6
265.03540	20.4
267.05243	4.4
269.04376	9.3
269.06946	5.0
271.06131	4.6
273.06204	9.0
277.03552	10.9
279.05090	11.1
283.06000	5.9
285.03806	5.1
293.02878	4.9
295.04529	8.1
296.06973	5.0
297.07578	9.3
299.07849	7.6
303.07260	6.2
307.04605	8.1
309.06247	7.0
311.05484	9.1
313.06485	4.8
315.04935	7.0
321.06201	5.2
323.05621	6.2
325.05984	11.5
328.05557	6.2
329.09192	8.6
339.04620	9.9
341.06540	16.0
343.06519	5.0
345.05670	4.6
353.06689	26.5
355.06754	10.7
356.07275	4.9
357.06165	14.1
367.06702	5.4
369.06085	14.3
371.07574	8.3
373.05911	6.8
383.07813	20.3
385.05447	19.1
386.06122	8.0
387.07404	9.1
393.10477	5.3
399.07224	13.8
401.09250	4.6
403.06616	6.9
415.06799	14.1
417.08325	6.4
419.12192	22.2
427.06961	5.0
429.08722	6.6
431.09512	6.6
433.07437	6.6
435.09555	6.6
443.09814	9.6
445.08539	7.1
447.10379	8.1
449.11032	4.7
457.10013	42.4
458.10239	15.0
459.09445	12.1
463.09003	10.5
473.10031	6.5
475.09171	34.6
476.10669	26.1
477.11060	5.8
487.08701	5.5
489.10291	9.9
493.10065	27.3
505.09964	34.5
506.10422	15.8
523.10870	16.8
539.14362	8.9
562.13300	5.9
563.14075	77.6
564.14252	14.6
567.13251	6.1
579.13507	40.8
580.13568	7.9
595.12958	24.6
596.13843	29.6
613.13995	100.0
614.14618	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	612.2594
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02850	6.6
59.01248	20.2
60.01591	1.0
61.98706	5.0
66.03352	1.0
68.59272	0.5
69.72459	2.6
69.72871	1.2
70.02849	1.1
71.01264	4.1
72.00753	1.2
73.02827	1.8
74.02342	14.9
76.94497	0.7
80.96367	1.1
81.04482	0.6
81.86971	0.6
82.02844	1.5
82.35812	0.6
83.01249	0.7
84.04417	0.8
85.02824	2.5
86.02346	5.3
86.98972	1.1
87.00732	1.3
87.05518	3.3
89.02312	1.6
90.00040	1.5
94.93243	0.6
97.03962	1.3
99.05521	12.4
101.02322	2.0
101.07061	1.2
102.05475	1.6
109.03967	1.9
111.05500	0.7
112.03918	2.0
113.02343	1.7
113.03455	1.0
116.01630	1.3
120.01151	1.0
123.05553	1.0
124.03959	1.4
125.03403	1.0
127.04988	2.3
128.03424	35.1
131.04553	1.2
135.05540	3.0
135.08034	1.2
137.07123	1.0
139.04948	0.7
141.06599	3.9
143.04520	49.5
145.06064	1.4
146.04480	4.5
150.06793	0.9
151.07568	0.7
153.06599	2.8
160.00641	13.1
166.09712	1.5
167.04526	4.1
167.08127	1.9
177.03387	4.3
179.04514	10.5
181.06052	1.2
184.10805	0.6
185.05540	1.7
192.07663	0.9
197.05505	1.2
198.08936	0.7
209.11763	1.5
210.08772	9.2
242.07776	1.3
254.07829	13.5
272.08868	19.2
272.11694	1.4
273.09091	0.8
288.06564	6.8
306.07632	100.0
307.07901	5.2
611.37903	0.9
612.27075	2.5
612.37738	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	612.3176
Annotation	Chasmaconitine
Peak:m/z	Relative Intensity
71.37418	0.8
121.02842	100.0
122.03165	2.7
180.05704	1.1
181.06480	7.1
225.05536	6.3
226.05746	0.8
276.09805	0.7
304.91632	0.8
313.07147	15.7
313.10559	1.2
314.07339	0.8
333.14966	0.7
357.06177	9.9
358.06638	1.3
612.31763	40.4
613.32092	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	612.2592
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96990	0.5
54.57597	0.5
56.11164	0.5
57.03311	0.6
58.02842	6.3
59.01253	10.4
60.01569	0.5
61.98707	2.9
64.52052	0.5
66.03356	0.8
71.01254	2.7
71.50941	1.0
72.00776	0.8
73.02785	0.7
74.02341	13.7
80.96389	0.9
81.04455	1.3
82.02861	1.3
84.04427	0.7
85.02831	1.1
86.02341	5.8
86.99002	1.3
87.05502	3.6
90.00061	1.5
95.01237	0.5
96.95897	1.1
97.02895	0.5
97.03949	1.6
99.00732	0.9
99.05519	10.7
100.03958	0.6
101.02319	1.5
101.07070	1.7
101.64460	0.6
102.05482	1.7
109.03946	1.7
109.07580	1.3
111.05503	1.0
112.03919	1.7
113.02312	1.1
115.00285	0.5
116.01671	0.8
123.05528	1.5
125.03455	1.5
127.05047	1.7
128.03427	32.1
129.03770	1.2
135.05533	3.5
137.07133	0.9
141.06560	1.8
141.87225	0.5
143.04523	43.5
144.04887	1.0
145.06076	1.8
146.04483	4.2
151.07536	1.1
151.80734	0.5
153.06625	3.3
160.00659	12.0
166.09747	1.9
167.04527	3.9
167.08208	2.6
170.03146	0.9
171.07758	0.7
177.03346	3.9
179.04546	9.1
180.07726	0.6
181.06084	1.3
185.05615	2.2
192.07765	1.1
197.05547	1.4
198.08768	0.7
209.11781	2.0
210.08791	9.1
213.03279	0.7
230.70056	0.6
231.04454	0.7
254.07808	13.3
272.05908	1.2
272.08865	21.4
273.09238	1.1
288.06589	8.5
306.07632	100.0
307.07947	6.6
612.26038	4.5
613.26422	0.9
613.39563	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.2919
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01767	0.7
57.03321	0.9
58.00462	1.2
59.01251	19.3
61.98698	3.6
69.03328	1.1
71.01254	15.8
71.50572	0.5
72.99168	1.7
73.02818	2.7
75.00715	0.4
81.03328	0.7
83.00830	0.4
83.01245	1.7
83.04885	0.7
85.02825	4.0
87.00764	3.8
89.01758	0.7
89.02313	14.1
90.02679	0.4
95.01246	1.1
96.95893	0.5
97.02828	2.3
99.00757	1.2
99.04379	0.3
101.02326	13.3
102.02649	0.6
104.84384	0.3
111.00766	0.4
113.02332	6.8
115.00299	0.4
116.87310	0.3
118.48659	0.5
119.03400	4.5
119.04860	0.5
121.02892	0.4
124.61063	0.3
125.02338	4.5
131.03348	0.4
133.04927	0.4
135.04356	0.4
136.27187	0.3
141.01918	0.4
143.03441	2.3
143.04416	0.4
145.02843	0.7
150.03200	0.4
153.95857	0.3
161.04475	3.2
165.12846	0.5
167.03319	0.4
179.05539	2.6
179.10773	0.4
183.13837	14.3
184.14162	1.0
195.12053	0.7
195.13850	14.0
196.14130	0.7
211.13347	3.2
212.13667	2.0
213.14914	100.0
214.15277	7.3
221.06641	1.0
235.08194	4.1
245.06911	0.3
253.09283	1.0
262.86105	0.4
263.07724	0.6
285.03918	0.4
287.07730	0.9
305.08749	0.9
323.09793	0.5
361.11462	0.4
379.12683	0.4
397.13495	28.0
398.13870	3.0
399.14029	0.8
407.27884	0.4
415.14590	19.7
416.14679	1.7
417.15195	0.7
449.25192	1.7
611.32941	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	611.2834
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03328	1.0
59.01241	1.7
70.37982	0.5
71.08797	0.9
77.36339	0.5
78.95771	57.6
80.96378	0.8
87.58619	0.4
96.96836	10.8
97.06524	0.7
113.09624	2.7
113.73421	0.5
128.09102	0.4
150.97954	0.9
152.99484	69.1
153.99854	1.2
171.00543	2.5
179.14270	1.3
181.12212	0.6
195.13835	18.7
196.14183	1.2
223.00052	7.5
241.01134	25.4
242.01556	0.6
259.02283	1.8
274.38391	0.5
277.21701	14.3
278.21951	1.6
295.22760	60.2
296.23114	6.3
315.04858	10.4
333.05835	1.5
401.54248	0.5
611.28320	100.0
612.28674	16.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.2838
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03312	0.8
58.66625	0.5
59.01237	2.4
65.24879	0.6
69.32522	0.6
69.32825	5.4
71.01246	1.8
78.95772	57.0
79.95573	1.0
80.91538	0.6
80.96397	5.3
82.95961	4.0
94.97973	1.0
96.96844	13.2
96.97485	0.5
101.02309	0.8
113.09593	1.9
121.15119	0.6
152.99486	41.7
153.99834	0.9
164.98582	0.8
173.31456	0.7
179.14394	0.7
195.13844	14.6
196.14175	0.7
223.00117	1.6
225.00807	0.8
241.01149	27.1
241.03638	1.4
242.01472	0.8
276.45859	0.7
277.21707	11.8
295.22760	39.4
296.23071	3.2
315.04898	6.3
422.79288	0.7
431.22110	5.5
445.89166	0.8
611.28235	100.0
612.28571	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	611.2738
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	6.2
61.98701	5.9
62.56903	0.7
63.96085	0.8
71.01239	7.1
71.37128	0.8
71.37455	1.1
72.99177	0.8
73.02831	1.3
78.95753	0.8
78.98464	4.8
79.95612	8.4
80.96385	55.4
85.02823	2.0
87.00758	3.0
94.97954	13.6
96.95869	1.0
97.02801	2.0
101.02316	2.8
106.97952	2.5
122.97438	2.5
125.02303	2.6
127.03812	1.0
134.97481	3.8
136.99031	1.8
144.63318	0.8
148.99026	5.1
152.98479	4.7
152.99550	0.8
164.98535	10.8
165.98975	0.7
200.66228	0.9
206.99522	2.1
225.00677	14.0
226.01144	0.8
299.04346	2.6
311.22250	1.4
598.49890	0.9
611.27356	100.0
612.27661	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	611.2735
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53857	0.4
59.01242	2.3
61.98700	4.7
63.96102	1.2
63.99139	0.5
69.03340	0.8
69.85898	2.3
71.01249	6.4
73.02808	1.8
78.98457	5.3
79.95602	11.5
80.96384	60.4
81.03324	0.9
82.45362	0.4
85.02810	2.8
87.00753	2.2
94.97955	12.9
96.95888	1.2
97.02836	1.0
99.00744	0.7
99.05766	0.4
101.02328	2.6
106.97968	2.8
114.48775	0.4
117.93453	0.4
122.97458	3.7
125.02325	2.5
127.03882	1.0
134.97464	4.5
136.99022	1.6
148.99052	5.8
152.98534	7.0
157.55298	0.4
164.98524	13.3
182.99606	0.7
188.98523	0.6
195.13876	0.5
206.99654	3.2
225.00676	21.0
226.00945	0.7
266.59125	0.4
293.21191	1.2
299.04398	2.5
311.22171	0.8
318.74594	0.5
344.57739	0.4
366.88785	0.4
507.83276	0.5
516.83350	0.4
559.43427	0.4
611.27344	100.0
612.27704	16.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	6.5
61.98707	8.2
85.42039	6.1
96.95881	12.1
98.19788	19.1
150.02951	6.9
162.03123	66.1
177.05482	100.0
199.63271	6.6
209.07742	6.8
212.72952	6.0
390.46906	7.0
449.43372	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	611.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05694	7.0
51.23843	6.5
59.01257	9.8
59.40686	7.3
63.19022	7.0
71.51855	12.7
72.95036	7.4
86.03934	6.3
100.66109	7.5
108.60654	7.6
162.03145	74.1
165.05399	9.1
177.05490	100.0
218.79779	7.4
240.04152	11.6
255.06635	11.5
270.09003	17.1
301.10776	20.6
413.47241	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	611.1992
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01745	5.1
57.03319	9.2
59.01244	20.7
61.54864	3.6
61.98690	6.1
65.00191	3.9
69.03320	7.7
69.48756	30.5
71.01250	30.6
73.02800	10.4
81.03274	4.7
83.01250	17.5
85.02801	15.8
87.00752	78.8
89.02275	5.3
90.79755	3.6
92.36433	3.8
95.01260	10.1
97.02814	9.1
98.19828	8.7
98.20450	6.1
99.00757	13.5
100.01527	8.1
101.02330	13.7
102.42968	4.0
107.01270	9.4
109.02833	15.8
111.00766	44.2
121.02838	9.1
123.00767	33.1
125.02330	83.2
133.02847	47.1
135.04413	36.4
137.02290	9.1
138.03139	7.2
139.00246	12.2
149.02362	26.3
151.00247	33.1
151.03868	17.3
153.01805	12.6
153.05453	7.0
159.25816	3.6
161.02373	26.6
163.00209	6.8
163.03915	20.1
164.04750	19.9
165.01820	15.9
166.02588	18.1
166.99762	19.1
167.03415	5.8
173.00822	12.8
173.02325	4.9
174.01617	4.4
174.03105	5.3
175.03935	9.0
176.04684	16.1
176.92010	4.1
177.01833	49.4
178.02444	6.3
178.06244	18.3
179.03467	35.5
179.07002	21.1
181.01306	9.7
181.04953	14.2
189.01698	3.7
190.02632	8.3
191.03371	33.7
191.07135	9.6
192.04051	6.7
193.01379	26.2
193.04980	10.9
193.08586	22.3
194.05765	27.5
195.02821	4.9
203.03381	14.6
205.01297	9.2
205.04968	18.3
206.05760	30.0
207.02937	9.9
207.06494	9.4
209.08119	42.9
217.01532	4.4
217.04935	3.8
219.02896	17.8
219.06470	6.0
221.08131	97.3
222.05299	5.5
222.08443	11.2
223.02335	5.1
231.02991	5.0
233.04572	6.6
234.05263	9.0
235.02382	11.0
237.07597	6.4
247.02385	9.1
247.06015	5.3
249.03951	11.1
249.07686	18.0
249.81087	3.8
251.05583	5.7
254.30975	4.7
261.04089	10.7
261.07507	5.0
262.04773	27.0
264.06360	16.0
265.07199	21.2
271.02338	4.2
276.06256	10.4
277.07132	50.7
279.08694	12.4
285.04047	18.0
291.08667	7.1
300.02686	10.7
301.03287	17.3
302.03604	15.0
303.05051	48.4
304.05463	5.8
327.04846	8.0
337.05469	6.5
337.09274	74.6
339.04874	5.4
341.06027	6.1
357.06030	8.3
369.05960	8.6
399.07245	7.9
429.08163	6.4
433.13544	5.6
447.09833	7.0
449.10129	5.0
475.09952	5.8
475.16141	71.2
476.16287	9.6
487.15948	16.7
487.22836	4.0
489.11130	5.0
491.10571	14.5
505.16885	9.4
507.10352	20.2
521.09119	5.2
547.18799	6.7
593.13708	14.5
611.19183	100.0
612.20715	27.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1609
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	26.3
61.98700	22.1
65.00188	4.6
68.99681	4.3
69.03330	9.7
71.01257	20.0
71.04901	3.6
71.50675	4.0
72.99177	5.6
73.02824	12.4
75.00752	6.0
80.19265	4.1
80.96386	3.0
81.03335	23.3
83.01258	14.1
83.04877	3.9
85.02819	10.0
87.00732	7.7
89.02314	11.4
93.03344	6.6
95.01260	4.9
95.04921	6.8
97.02821	20.7
99.00765	8.1
99.04390	13.4
101.02326	14.1
105.03336	5.6
107.01272	7.3
107.04925	2.8
109.02797	14.2
111.00774	15.2
113.02329	7.6
115.00145	3.0
119.04901	8.0
121.02840	24.4
123.00768	4.2
123.04453	15.7
124.13426	3.5
125.02334	55.1
126.02676	4.2
133.02809	7.5
135.04416	10.0
137.02330	31.6
138.03198	3.3
139.00241	5.2
139.03905	13.7
140.01137	2.7
141.01823	12.5
145.02859	9.1
149.02336	20.2
150.03084	5.9
151.00290	11.2
151.03902	6.2
152.00845	3.3
153.01831	38.9
160.61835	3.1
161.02336	10.4
163.00288	12.6
163.03999	6.8
164.01038	5.6
165.01834	36.5
166.02577	11.7
167.03406	100.0
168.03706	3.7
169.06625	2.9
171.04398	4.7
175.03868	3.2
176.01094	5.2
177.01811	19.5
178.02567	3.3
178.99756	24.7
179.03372	11.2
179.05518	3.9
181.01311	48.1
182.02014	3.2
183.02898	18.2
187.03902	5.0
191.03471	4.1
192.00574	6.1
193.01357	34.2
194.01901	4.8
195.02927	12.4
195.08244	3.2
197.04469	9.7
203.03395	8.5
203.25903	2.9
205.01378	17.4
206.02115	15.3
207.02951	6.5
208.03561	3.8
209.00914	9.7
211.02501	3.3
211.13411	15.2
212.13725	8.6
213.14999	25.9
217.04857	3.6
219.02901	4.5
220.88327	3.0
221.00839	18.0
223.02396	29.4
223.06013	9.8
225.05597	3.5
227.07053	3.8
235.02600	6.0
241.04965	5.9
243.06577	5.2
253.05171	5.0
254.05487	3.2
255.03120	4.9
255.06667	10.0
256.03799	10.5
257.04474	13.3
259.06174	3.2
265.05042	4.7
267.06583	46.4
268.06564	4.7
269.04565	12.5
271.06152	26.0
281.04453	6.1
282.05228	4.4
283.06171	22.4
285.03983	15.2
287.05472	6.7
295.06116	91.3
296.06552	9.0
297.03793	7.6
298.04724	6.9
299.05606	30.1
300.06339	7.1
307.06058	6.6
311.05573	49.0
312.05920	5.8
313.07321	4.2
315.05109	22.2
323.05453	4.7
325.07193	24.9
327.05118	62.5
328.05792	58.0
329.06393	12.3
339.05148	5.8
341.06638	14.8
345.06107	41.7
346.06561	5.1
357.06323	19.0
370.06689	3.5
375.07181	13.2
397.13480	10.7
398.13977	5.1
399.13895	3.9
407.11771	4.5
415.14459	6.9
417.15097	3.8
433.13522	36.2
434.13971	5.0
447.11469	3.4
449.25446	7.1
459.10919	3.6
471.11551	8.2
480.78644	3.6
489.12509	5.4
561.16089	83.6
562.16302	12.3
565.15704	3.5
577.15533	20.5
578.16095	4.5
593.15186	17.5
594.15845	28.7
595.15753	5.7
611.16095	53.1
612.16608	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	611.1397
Annotation	Unknow
Peak:m/z	Relative Intensity
55.94197	1.4
57.03304	3.0
59.01251	19.2
61.98425	1.7
61.98695	19.4
65.00146	1.3
69.31036	9.5
69.31441	3.0
71.01231	6.3
73.02797	2.6
73.91852	1.4
75.00709	2.8
76.88816	1.3
77.55549	1.4
81.03289	2.0
83.01247	3.2
85.02808	3.5
87.00728	2.8
89.02300	3.4
93.03320	3.8
95.01267	2.4
96.95863	1.7
97.02807	2.0
98.19848	3.1
101.02293	3.8
107.01238	1.6
109.02846	8.2
111.00703	1.6
117.03336	2.0
119.04919	9.6
121.02825	2.7
123.04370	2.6
125.02325	22.4
133.02827	24.5
135.04401	10.1
137.02298	3.6
139.03911	1.3
146.03601	3.4
147.04402	5.7
149.02344	7.8
149.05925	1.9
151.00244	3.2
151.03848	2.0
153.01852	2.2
161.02287	2.2
161.05934	1.7
163.00201	4.7
163.03856	4.9
164.04721	2.1
165.01819	6.2
165.04005	2.0
165.05394	3.5
167.03398	4.5
175.03880	4.8
177.01828	11.4
177.05437	1.9
178.02286	1.6
179.03365	1.9
179.07068	12.6
189.05450	2.1
191.03456	3.5
192.04068	2.0
193.01355	10.3
195.02956	1.6
201.01778	2.1
205.01245	1.7
207.06511	3.9
209.04491	2.3
219.02834	2.1
235.02396	3.5
251.05717	2.4
253.08685	3.3
256.03619	1.6
269.04480	7.2
270.05124	3.1
282.05380	1.6
283.05917	1.9
284.03296	2.5
284.06732	4.9
285.04007	9.8
297.04041	13.5
298.04761	11.6
299.05530	22.1
300.05734	3.2
303.05035	2.5
309.03958	2.0
310.04688	3.0
311.05307	10.8
312.06345	20.4
313.06985	4.1
323.05478	7.3
324.06058	3.4
325.07010	3.6
327.05054	58.4
328.05319	5.5
330.03638	2.7
339.04935	9.7
340.05670	7.5
341.06351	4.1
344.05231	5.6
352.05753	2.1
353.06641	13.5
357.06125	32.0
358.06271	4.2
365.06528	2.9
369.05740	4.0
370.06601	3.1
371.07486	9.3
383.07516	9.6
387.06821	1.9
401.08362	6.2
405.09573	5.9
417.09918	8.8
429.07895	5.0
431.10529	4.5
433.12857	1.9
447.09732	100.0
448.10251	15.8
459.10461	3.8
473.10809	14.5
477.11890	42.2
478.12018	7.2
489.11807	2.3
491.10590	6.1
492.11121	2.4
506.10272	3.0
507.10342	8.6
549.14197	8.8
567.14966	24.1
568.14935	4.1
570.77814	1.7
593.14063	7.2
611.14081	55.1
611.30463	3.0
612.14197	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	611.0962
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01235	40.1
61.98701	42.2
71.52032	30.0
78.95778	100.0
83.64853	23.0
83.95774	19.1
96.96837	30.0
137.96423	20.8
152.99463	38.7
176.60814	24.3
186.07716	21.7
206.21609	22.5
209.75294	20.4
221.00987	21.3
255.02902	20.6
411.28094	21.1
520.19141	24.8
611.27625	22.7
612.18005	21.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1247
Annotation	Unknow
Peak:m/z	Relative Intensity
55.35849	4.2
57.03320	5.3
58.29556	4.6
59.01242	35.5
61.98694	18.7
69.03289	5.7
69.15332	12.8
69.15739	45.5
71.01251	15.5
72.99191	6.0
73.02795	11.0
75.00749	11.6
78.95776	4.6
79.62883	5.1
81.03331	7.0
83.01254	16.2
85.02814	12.5
89.02323	7.3
93.03337	8.0
95.01258	9.3
97.02828	16.3
98.20611	9.2
101.02319	12.5
107.01255	12.8
108.01972	6.2
109.02828	29.7
111.00786	8.1
113.02351	7.4
119.04893	5.0
121.02843	15.5
123.00816	14.4
123.04413	6.3
125.02326	100.0
133.02831	68.8
134.03194	7.5
135.04372	9.7
137.02338	19.4
139.03914	17.1
147.04492	7.2
149.02313	31.5
150.03081	12.3
151.00217	30.2
151.03893	18.0
153.01794	14.1
161.02332	11.1
163.00246	11.3
163.03889	14.2
165.01855	26.0
165.05417	13.7
166.02531	7.5
167.03413	29.3
169.01291	6.4
175.03906	12.2
177.01823	49.0
178.99792	14.2
179.03392	20.2
180.04219	6.7
181.01326	8.5
189.01828	11.1
191.03345	23.8
192.00644	6.1
193.01332	55.2
195.02882	12.1
195.06433	7.5
201.01889	6.7
203.03360	9.8
205.01349	20.5
206.01958	7.4
206.99258	32.6
207.02927	23.4
209.00862	9.3
209.04485	13.2
211.13274	8.0
215.03467	6.4
219.02887	21.0
221.00856	14.7
221.04535	6.6
223.02332	25.4
233.00890	7.3
233.04529	9.6
235.02385	30.9
239.05449	8.3
247.02493	16.8
249.03911	7.4
251.01889	8.9
253.03444	8.9
259.02582	5.2
261.04169	5.6
263.01987	9.7
265.03464	14.6
271.69250	5.1
277.03497	13.6
285.04025	28.4
295.04669	14.6
299.05414	8.9
300.02277	6.9
303.05020	11.4
311.05334	11.4
313.06110	15.0
317.03171	6.0
325.05551	9.4
327.04767	7.5
331.04410	5.6
343.04355	7.6
353.05377	15.8
355.04694	18.3
357.06339	7.0
367.06470	16.4
369.06049	25.4
373.05734	15.2
376.56451	5.5
385.05994	11.0
397.05502	6.5
399.07449	10.4
401.05008	10.6
433.07767	12.3
433.13293	6.5
445.07892	6.5
447.10507	9.0
457.09808	15.0
458.10623	5.8
459.09995	10.4
473.10831	9.8
489.10208	7.3
491.08969	9.5
501.10947	10.9
507.07388	27.4
521.10034	7.6
537.12219	19.2
563.13690	6.3
593.11755	12.2
611.12482	42.6
611.28528	9.6
612.13513	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	609.3123
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01745	1.4
57.03335	1.1
58.00454	1.3
59.01253	24.7
59.24333	1.0
61.98703	0.9
71.01254	19.8
71.18064	1.3
71.84705	0.9
73.02819	2.6
75.00708	1.6
80.84313	0.8
83.01254	1.7
85.02818	6.4
87.00728	1.8
89.02316	10.2
96.95896	1.2
99.00734	1.4
101.02313	15.7
113.02324	7.0
119.03356	3.1
168.82741	1.0
196.34814	1.0
231.34932	0.9
285.20663	2.5
316.02332	1.7
429.24844	3.1
447.25974	20.6
448.26157	2.2
609.31244	100.0
610.31635	19.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.4131
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03307	0.5
59.01254	0.6
62.12497	0.5
65.44859	0.4
65.67625	0.4
66.91740	0.4
67.13432	0.4
70.82054	1.3
78.95772	0.9
89.05357	0.4
93.03344	0.4
95.04899	31.8
96.04031	0.4
96.05215	0.9
98.73293	0.4
111.07985	0.5
117.46210	0.5
128.99905	0.4
150.02881	1.2
169.37891	0.4
173.65445	0.4
177.12756	0.4
179.14267	1.0
189.05211	1.0
195.13826	9.1
196.14284	0.4
205.12250	0.7
205.15785	0.5
211.13295	0.8
223.13329	7.4
224.13612	0.9
228.13585	0.8
245.11542	0.5
246.12325	11.1
247.12457	0.5
256.13101	1.3
272.12292	0.5
275.20084	5.1
276.20566	0.7
278.11331	69.7
279.11703	3.8
293.21213	100.0
294.21536	8.7
315.19394	28.6
316.19620	3.1
359.18008	0.7
471.25458	0.6
489.10535	0.5
572.31940	2.0
573.32208	0.7
609.14343	0.7
609.41345	12.5
610.41180	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	609.3128
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	1.1
57.03314	1.0
58.00472	0.9
59.01247	24.2
60.01569	0.4
61.98694	2.7
63.44361	0.4
63.56124	0.4
67.06080	0.3
71.01248	17.4
71.30779	0.8
72.01572	0.5
72.99168	1.6
73.02224	0.4
73.02808	3.6
75.00742	0.4
79.95596	0.9
80.96393	2.0
82.95963	0.6
83.01245	1.7
85.02814	4.9
87.00739	1.7
88.98663	1.7
89.02312	7.7
95.01266	1.2
97.02813	0.4
99.00755	1.3
101.02321	11.8
111.00789	0.7
112.01575	0.4
113.02319	4.5
115.00237	0.6
116.92743	0.7
119.03392	2.4
125.02187	0.6
143.03383	0.7
143.22523	0.4
161.04456	0.8
175.02409	1.7
183.89938	0.4
211.13309	1.3
222.15363	0.5
225.00650	0.8
271.90622	0.5
285.20749	2.2
369.06216	0.7
375.32141	0.5
397.13611	0.9
399.07294	1.2
429.24881	3.3
447.25998	19.0
448.26254	2.5
489.10361	0.7
501.27097	0.5
591.30060	0.8
609.31317	100.0
610.31653	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	609.3126
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83080	0.6
55.01742	1.6
57.03311	1.3
57.40515	0.5
58.00465	1.5
59.01250	29.6
61.98702	13.0
69.03307	1.0
71.01251	25.5
71.05656	1.2
72.99185	3.1
73.02814	5.4
74.02336	1.3
74.98936	0.6
75.00743	1.6
79.95576	0.9
80.96394	2.6
83.01247	4.9
83.04890	0.8
85.02826	11.1
87.00763	4.1
88.00253	0.7
88.98691	0.9
89.02319	12.3
95.01255	1.8
97.02814	0.9
99.00751	2.4
101.02331	16.9
107.49921	0.6
109.02853	0.9
111.00768	2.0
113.02334	8.2
116.92740	1.4
119.03397	3.9
125.02345	1.8
129.01833	1.4
133.02846	0.7
147.48399	0.6
149.04597	0.6
156.53584	0.6
161.04475	3.0
171.08125	0.7
171.10152	1.0
174.01608	1.0
175.02353	1.9
175.03824	0.7
179.05525	2.5
211.13327	10.6
225.00682	0.8
235.08368	0.7
243.19565	1.4
265.18298	0.6
285.20682	2.0
298.04858	1.9
299.05310	0.8
301.03415	0.8
311.05469	0.8
312.06299	0.6
313.07367	0.9
321.58017	0.6
327.05045	1.1
339.05225	1.2
369.06036	4.5
397.13364	5.6
399.07397	2.3
400.07690	0.8
405.24857	5.1
415.14569	1.8
429.08371	0.8
429.24969	3.3
447.09137	0.9
447.25922	24.2
448.26559	3.2
489.10156	3.9
489.27518	1.0
490.10925	1.0
505.33914	1.9
505.56796	0.8
519.11621	1.0
609.14911	6.8
609.31403	100.0
610.15649	1.1
610.31799	16.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2759
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01755	0.5
58.00452	1.3
59.00964	1.2
59.01249	20.9
60.20665	0.6
64.01714	0.5
69.03315	1.6
69.66149	3.1
71.01250	17.3
72.99175	1.2
73.02810	3.3
74.66103	0.4
81.03323	1.1
83.01251	1.7
84.02359	0.5
85.02804	3.5
87.00751	4.5
89.02315	17.2
89.86514	0.5
95.01267	1.5
97.02824	2.7
98.08992	0.5
98.19817	1.0
99.00693	0.5
101.02317	15.0
113.02324	8.0
119.03374	5.3
125.02324	5.7
143.03395	2.5
146.79694	0.5
149.04468	0.8
161.04427	3.4
167.14331	1.0
179.05515	3.2
181.67545	0.5
183.13805	7.9
193.12256	2.3
211.13333	100.0
212.13658	6.9
217.07074	0.6
221.06549	1.2
222.97227	0.6
235.08177	6.5
253.09261	1.1
259.33926	0.5
263.07764	0.5
265.94824	0.6
287.07779	2.1
305.08719	2.4
320.79919	0.6
323.09778	1.4
379.11978	0.7
389.40665	0.6
397.13464	50.5
398.13913	4.6
399.08261	0.7
411.32104	0.6
415.14569	25.2
416.14853	2.0
602.71375	0.6
609.27161	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	609.2763
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00457	1.1
59.01251	20.2
61.98701	0.9
62.94013	0.4
67.54737	0.4
69.03324	1.1
71.00854	1.0
71.01253	20.4
71.49755	0.7
72.01564	0.4
72.99181	1.7
73.02810	3.2
75.00737	0.5
76.50298	0.4
81.03329	0.8
83.01257	1.8
83.04890	0.5
85.02827	4.4
87.00751	4.2
89.02315	19.3
91.03889	0.4
95.01259	1.4
97.02837	3.1
99.00761	1.2
101.02325	15.8
110.06982	0.4
111.00765	0.5
111.04371	0.7
113.01635	0.6
113.02339	6.5
115.03797	0.5
119.03396	6.0
121.02847	0.5
125.02341	6.2
131.03331	0.9
133.04953	0.6
139.03865	0.6
141.01802	0.5
143.03413	2.4
149.64600	0.4
156.69945	0.4
161.04478	3.6
167.14287	0.6
179.05556	2.6
181.04980	0.6
183.13815	8.7
184.14168	0.5
193.12318	2.0
198.37616	0.4
211.13341	100.0
212.13689	7.2
221.06593	1.1
235.08180	6.8
253.09296	1.3
287.07721	1.4
305.08789	1.7
323.09717	0.9
397.13467	44.2
398.13834	5.4
415.14575	23.4
415.19012	0.4
416.14752	2.0
516.82092	0.4
558.06555	0.5
609.27539	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	609.2684
Annotation	Scortechinone P
Peak:m/z	Relative Intensity
57.03333	4.5
59.01256	2.9
61.98699	0.9
69.67284	1.1
69.67696	2.5
71.00027	0.6
71.01251	2.8
71.40400	0.7
73.02814	0.8
75.47085	0.5
78.95775	48.2
78.98470	1.9
79.95609	3.5
80.59148	0.6
80.96392	21.5
85.02804	0.6
85.67307	0.6
87.00756	0.8
87.60410	0.5
94.71979	0.5
94.97953	5.6
96.95894	0.7
96.96836	10.0
97.06490	0.7
106.97941	1.2
109.06474	0.8
113.09608	14.0
122.97454	0.6
125.02306	0.8
133.02863	0.6
134.97485	1.5
139.11238	1.4
141.50740	0.6
148.99002	1.2
152.99493	62.7
153.99806	0.9
164.98535	3.2
167.10681	2.5
171.00591	1.9
177.12784	1.0
179.10701	2.3
195.13831	2.4
206.99614	0.7
211.13309	0.7
216.37642	0.6
223.00041	7.2
225.00667	4.0
228.48671	0.6
241.01128	18.0
249.22160	2.4
250.22734	0.6
259.02194	1.2
275.20099	0.8
293.21213	54.6
294.21558	5.7
299.04156	0.6
304.82816	0.8
315.04892	10.2
333.06006	1.0
369.06024	2.0
372.08133	0.6
399.07013	1.2
493.38260	0.7
534.32178	0.6
573.89557	0.7
609.26526	100.0
610.26843	16.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2397
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	28.1
69.37135	26.1
71.01254	19.8
72.99110	2.7
73.02814	10.3
73.03213	3.0
81.75395	3.0
83.01246	5.0
85.02820	8.0
87.00739	33.0
89.02293	4.9
99.00748	7.6
101.02308	15.2
105.50041	2.8
113.02397	6.6
117.01793	3.7
119.03412	3.3
125.02329	5.6
131.26140	2.9
146.91278	2.8
149.02348	3.2
150.03131	10.2
159.02861	3.5
161.04504	20.5
165.05460	16.3
169.03468	2.9
177.97784	2.9
178.90419	3.3
179.05533	100.0
180.05891	3.7
181.12271	6.7
183.66760	2.6
195.06529	12.4
199.13388	3.8
208.97565	3.2
211.13257	4.0
241.91554	3.5
293.68665	3.7
315.10193	2.9
357.13388	5.6
361.18674	15.7
403.19714	36.5
413.13336	4.0
537.66766	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2581
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	3.0
61.98692	1.8
63.96112	1.2
69.03307	0.9
71.01253	7.2
73.02816	1.8
78.91738	0.6
78.95782	5.0
78.98464	7.3
79.95608	12.8
80.96386	67.5
81.03326	0.8
83.01237	0.5
85.02817	3.3
87.00748	2.9
89.02314	0.6
94.97956	15.4
96.95885	1.8
96.96804	0.6
97.02818	0.9
99.00755	1.1
101.02306	3.1
106.97979	3.3
113.02358	0.9
122.97477	3.4
125.02352	2.9
134.97466	5.3
136.99019	1.6
148.99051	5.8
152.98503	5.1
152.99532	3.7
164.98529	12.2
167.00041	0.6
206.99631	2.5
211.13350	1.3
225.00697	13.8
225.26540	0.4
226.00861	0.4
237.52742	0.5
241.01247	1.1
241.17561	0.4
243.11815	0.5
291.19485	0.7
293.21246	1.4
298.05045	0.6
299.04239	2.1
309.20834	0.8
311.05389	0.5
357.90530	0.5
369.06119	1.7
371.06863	0.5
399.07053	0.5
405.32114	0.5
489.10345	1.3
609.25787	100.0
610.26062	16.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2593
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44260	0.4
57.03331	2.5
59.01244	3.4
61.98712	3.3
63.96112	0.6
69.03324	0.6
69.55478	1.0
69.55895	2.0
71.01250	6.3
73.02824	1.1
78.95777	27.5
78.98462	3.7
79.95604	8.7
80.96388	48.1
81.03289	0.5
83.01247	0.5
85.02824	2.1
87.00741	1.8
89.02304	0.5
94.97962	11.5
94.98571	0.7
96.95899	1.2
96.96834	4.7
97.02802	1.2
97.06453	0.7
98.20485	1.1
101.02323	1.9
106.97956	1.8
109.02824	0.8
113.09603	8.5
122.97477	3.9
123.04381	0.6
125.02313	2.1
133.02827	0.6
134.97482	2.6
136.99055	1.0
139.11156	1.2
148.99037	4.2
152.98546	3.0
152.99516	31.7
153.99811	0.8
164.98550	6.6
165.12700	0.6
167.10689	1.4
171.00566	0.8
176.31891	0.5
177.12930	0.5
179.10701	1.1
182.99557	1.4
195.13849	1.1
206.99644	2.0
211.13295	1.1
219.41269	0.5
223.00060	2.8
225.00677	10.5
238.22708	0.5
241.01134	10.9
243.01826	0.7
247.94133	0.5
249.22124	0.8
259.02344	0.8
293.21231	27.9
294.21408	2.6
299.04446	1.9
300.34576	0.5
313.07227	0.5
315.04855	5.4
333.05991	1.0
339.05380	0.7
369.06110	3.2
399.07275	1.4
489.10358	1.5
489.30429	0.6
494.62354	0.6
519.11328	0.7
592.25684	0.6
609.15009	4.3
609.26111	100.0
610.15875	0.8
610.26355	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	609.2398
Annotation	Unknow
Peak:m/z	Relative Intensity
54.68084	1.4
59.01251	39.0
61.98693	4.3
66.21604	1.6
71.01249	23.6
73.02817	5.8
83.01279	1.9
85.02818	6.3
87.00741	3.3
89.02309	18.2
95.01279	1.8
101.02317	13.8
111.13789	1.9
113.02328	9.5
119.03366	7.8
129.11137	1.5
137.70416	1.5
138.72443	1.6
143.03482	1.6
150.28145	1.3
161.04416	2.7
164.01041	2.1
164.03857	1.7
179.05524	2.6
181.02066	1.5
181.12286	4.2
199.13330	4.6
211.13341	4.0
286.04767	1.7
301.07220	12.8
343.17685	7.8
361.18710	23.6
362.19080	2.7
385.18427	2.0
391.03906	2.2
397.13431	1.7
403.19717	100.0
404.20090	12.4
465.30273	1.5
480.21622	1.7
546.54987	1.7
637.28601	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	609.2398
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63537	1.1
59.00958	1.8
59.01253	31.0
69.03320	1.3
71.01252	18.9
71.04877	1.3
72.96867	1.1
73.02821	6.7
83.01247	3.9
85.02816	7.3
87.00744	18.4
89.02311	3.8
89.88316	1.1
95.01272	2.3
96.95828	1.8
97.02827	2.5
98.19830	4.0
99.00754	6.0
101.02329	10.5
113.02305	4.7
117.01838	4.0
125.02308	5.6
141.01860	1.4
149.02336	4.4
150.03111	11.1
159.02931	1.6
161.04463	22.4
165.05487	10.4
177.03932	1.5
179.05527	100.0
180.05862	3.4
181.12190	2.6
195.06541	6.4
199.13330	5.4
203.73122	1.3
221.06635	2.2
229.71823	1.4
254.59302	1.2
304.21167	1.0
332.96124	1.3
339.27737	1.3
343.17542	8.8
357.13303	5.0
358.11380	1.1
361.18640	22.7
362.18961	2.5
403.19699	44.3
404.20142	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	609.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	73.8
70.37940	2.8
71.01250	13.4
71.22099	6.9
73.02813	4.5
75.00722	6.3
75.31801	3.1
85.02827	5.1
87.00734	5.0
93.03331	4.3
95.01180	3.0
101.02312	9.1
107.11664	2.8
109.02835	5.8
113.02331	7.6
121.02853	22.0
122.03600	13.8
123.04417	3.1
125.02271	3.2
137.02280	6.7
147.04417	5.3
149.02357	17.3
150.03137	38.7
151.03784	3.2
161.04405	7.1
164.04698	5.9
165.05472	65.9
174.00114	3.2
178.77718	2.9
179.05518	8.2
179.07057	9.9
180.04199	5.7
181.08820	3.0
195.06584	19.2
198.47238	4.2
346.14145	10.6
349.20068	3.2
357.13275	21.8
361.12140	6.3
361.16483	100.0
362.16992	14.5
369.13388	8.0
501.17603	3.6
549.19800	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	609.2397
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	28.1
69.37135	26.1
71.01254	19.8
72.99110	2.7
73.02814	10.3
73.03213	3.0
81.75395	3.0
83.01246	5.0
85.02820	8.0
87.00739	33.0
89.02293	4.9
99.00748	7.6
101.02308	15.2
105.50041	2.8
113.02397	6.6
117.01793	3.7
119.03412	3.3
125.02329	5.6
131.26140	2.9
146.91278	2.8
149.02348	3.2
150.03131	10.2
159.02861	3.5
161.04504	20.5
165.05460	16.3
169.03468	2.9
177.97784	2.9
178.90419	3.3
179.05533	100.0
180.05891	3.7
181.12271	6.7
183.66760	2.6
195.06529	12.4
199.13388	3.8
208.97565	3.2
211.13257	4.0
241.91554	3.5
293.68665	3.7
315.10193	2.9
357.13388	5.6
361.18674	15.7
403.19714	36.5
413.13336	4.0
537.66766	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
54.74142	0.7
55.01778	1.0
57.03344	1.0
59.01250	69.6
60.01601	0.9
61.98742	1.7
69.03350	1.1
69.89207	3.6
71.01255	25.6
72.99198	1.3
73.02818	26.8
75.00726	1.0
81.03336	1.1
83.01264	7.7
85.02826	4.2
87.00755	4.3
89.02320	7.4
93.03336	4.7
95.01294	1.7
95.04904	1.1
97.02858	1.1
99.00761	0.8
101.02322	28.1
102.02701	1.1
109.02838	1.0
113.02325	11.1
115.00210	0.9
119.03404	3.1
121.02857	6.7
122.03640	13.2
123.04510	1.2
124.01572	1.0
125.02339	3.2
131.03397	2.6
133.02869	2.5
134.03622	1.5
135.04425	1.5
136.01581	1.3
137.02338	2.6
143.03419	2.4
145.02841	1.0
146.03697	0.9
147.04399	1.1
148.01653	0.7
149.02345	40.1
149.04442	4.0
150.03134	100.0
151.03514	4.4
161.02350	2.4
161.04468	14.8
162.03154	2.7
163.03946	1.5
164.04683	12.3
165.05484	96.8
166.05881	4.2
167.03435	1.0
175.02415	1.1
176.04716	1.4
177.01907	0.9
177.05481	3.4
178.06134	0.7
179.03511	3.7
179.05536	8.8
180.04184	7.5
191.07109	1.0
192.77449	0.7
193.08624	2.5
194.05798	2.7
195.06563	60.8
196.06946	3.6
199.13222	0.8
203.05466	1.3
209.08109	9.9
211.13344	8.3
212.13631	0.9
221.06563	3.8
235.08154	0.6
235.23943	0.7
237.07564	0.8
243.06546	1.1
285.04007	1.0
297.03934	0.8
297.08252	0.6
300.02750	0.9
311.05453	0.7
312.06238	0.8
313.03735	0.7
314.04031	0.8
315.04831	0.6
327.05042	0.9
327.08728	0.9
342.11108	5.3
343.17361	2.1
357.13431	62.1
358.13846	7.7
361.18631	3.4
369.05701	1.9
385.05890	0.9
397.13419	4.2
399.06836	1.0
403.19757	5.1
405.15399	3.1
415.14343	2.9
456.44754	0.7
489.10114	1.5
501.17593	4.6
502.17444	1.1
505.09558	2.0
549.19409	1.3
561.19330	1.9
567.20294	2.5
568.21057	0.9
591.12946	1.7
609.13519	4.9
609.22424	3.9
610.13666	1.0
610.22498	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	609.146
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	5.8
59.99385	1.1
62.17103	1.1
65.00211	1.8
68.72058	1.4
70.99101	1.5
70.99426	2.3
71.01247	4.9
73.02825	1.4
75.00754	1.3
78.95712	1.2
83.01256	2.3
87.00734	1.6
89.02302	3.0
89.70467	1.3
93.03350	1.2
101.02316	3.0
101.54497	1.3
107.01250	4.5
109.02824	4.5
111.00770	1.8
113.02337	1.5
115.00288	1.3
117.95526	1.3
121.02839	3.5
125.02322	5.5
133.02815	15.6
134.03658	2.1
135.04417	4.6
137.02338	3.5
139.00267	1.5
139.03944	1.4
145.02806	1.4
146.37047	1.3
147.04366	1.9
149.02348	7.9
150.03145	1.9
151.00269	7.8
151.03883	2.3
153.01859	1.4
159.04471	1.3
161.02260	2.7
163.00323	2.1
163.03926	2.6
165.01819	5.6
165.05478	1.4
167.03403	1.5
173.02469	1.3
173.05978	1.3
175.00308	1.7
175.02507	1.5
175.03917	4.9
177.01895	6.0
178.99826	1.5
179.03470	3.1
183.13791	1.2
187.03871	1.4
189.01843	3.0
190.99742	1.3
191.03416	3.9
193.01332	2.6
195.02893	1.3
199.04059	1.7
201.01855	3.4
203.03427	3.0
205.01324	2.4
205.05084	1.6
211.04054	1.8
211.13339	5.8
213.05501	2.5
214.02737	1.3
215.03459	2.5
219.02916	2.1
221.09814	1.1
223.02423	1.7
225.05490	2.6
226.02295	1.8
227.03494	1.5
229.05067	1.7
233.04570	2.9
235.02461	1.5
241.04851	1.8
255.02940	4.2
257.04550	4.8
265.04901	1.5
269.04636	1.4
271.02383	6.1
272.03000	2.2
273.03998	1.7
283.02356	3.7
283.05811	2.6
285.04050	3.6
293.04706	1.6
297.03967	5.4
298.04861	9.1
299.02246	1.5
299.05423	7.7
300.02682	18.3
301.03519	77.5
302.03894	6.0
309.03973	1.6
310.04568	2.3
311.05582	9.2
312.06439	12.5
313.03687	2.3
313.07101	9.0
321.03610	1.3
323.05432	2.3
325.03543	2.5
325.07281	1.6
327.05048	11.7
328.05487	1.7
329.02988	1.7
337.03369	1.7
339.04968	19.4
340.05478	2.3
341.06619	8.3
343.04584	6.0
353.06488	5.1
355.04626	2.7
357.06134	3.9
367.04514	12.9
369.06116	36.7
370.06540	3.4
371.07639	2.9
373.05386	1.6
381.06146	3.8
383.08273	1.5
385.05573	19.3
386.06290	1.7
397.05579	9.6
397.13345	2.7
399.07193	19.8
400.07523	2.2
411.07196	3.2
413.08820	1.7
415.06699	18.2
415.12393	1.5
415.14740	1.8
427.06689	2.8
429.07700	2.3
445.07477	1.7
447.09262	3.3
448.08878	1.4
459.09467	1.6
471.09290	5.3
472.09653	1.9
487.08920	6.5
488.09167	2.8
489.10376	45.6
490.10730	6.0
505.09879	100.0
506.10074	12.5
519.10742	1.8
573.11920	2.1
575.62616	1.4
591.13574	37.3
592.14111	8.0
609.14581	72.0
610.14899	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	609.1456
Annotation	Unknow
Peak:m/z	Relative Intensity
53.90465	0.3
58.58290	0.3
60.57684	0.3
62.43830	0.3
71.18711	0.6
77.22107	0.4
79.01794	0.4
93.76826	0.3
109.02842	0.9
121.49290	0.3
133.02840	4.6
135.04381	0.5
143.21397	0.3
149.02374	0.4
157.70634	0.3
163.03899	0.4
175.03932	1.3
177.01898	0.7
177.05484	0.7
201.01828	0.4
203.03450	0.7
205.01437	0.4
205.05008	0.4
208.39429	0.3
213.05376	0.4
215.03371	0.4
225.05559	0.4
235.02361	0.4
267.06558	0.5
295.06192	0.4
297.04291	1.6
298.04773	3.0
299.05585	2.0
309.04160	0.4
310.04718	0.6
311.05588	2.7
312.06439	3.0
313.07141	4.0
323.05811	0.5
325.06927	0.5
327.05081	1.8
339.05093	3.5
340.05676	0.5
341.06564	2.0
344.05319	0.3
353.06662	1.3
354.74191	0.3
357.06110	0.5
367.04153	0.5
369.06116	16.0
370.06467	1.7
371.07346	0.4
381.06195	1.2
383.07523	0.5
399.07166	13.3
400.07742	0.7
411.07248	1.1
413.09106	0.4
429.08209	2.9
441.08420	0.6
451.74054	0.4
453.08069	0.5
471.09277	1.8
489.10370	44.0
490.10638	5.5
501.10303	0.8
519.11401	12.1
520.11975	1.8
531.11755	0.7
573.11737	0.7
591.13330	2.3
609.14569	100.0
610.14923	18.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1458
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03653	0.3
63.02270	0.8
65.00182	0.9
82.00539	0.3
82.22166	0.3
83.01252	1.5
86.82095	0.3
89.02299	0.3
93.03315	0.4
107.01265	2.3
108.02064	1.4
109.02816	1.2
121.02828	1.9
124.01480	0.4
133.02887	0.7
135.00800	0.8
148.01566	0.9
149.02342	0.9
151.00276	11.1
152.00655	0.5
163.00264	2.3
164.01015	0.4
169.01291	0.6
178.99800	4.6
187.03876	0.5
193.01334	0.4
199.04070	0.6
201.05539	0.6
203.03271	0.4
211.03876	0.8
215.03409	0.4
226.02686	1.2
227.03490	2.8
228.03856	0.4
229.04985	0.7
243.02975	9.8
244.03447	1.0
245.04485	1.1
254.02132	2.0
255.02975	24.7
256.03366	2.0
271.02472	49.4
272.02853	4.0
273.03964	0.8
283.02496	1.7
299.01990	1.5
300.02737	79.6
301.03445	40.7
302.03909	3.0
343.04590	1.0
369.06006	0.5
444.89218	0.6
489.10919	0.7
505.09818	1.5
591.13672	0.7
605.48706	0.4
609.14563	100.0
610.14893	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	609.1457
Annotation	Lucenin-2
Peak:m/z	Relative Intensity
54.68078	0.9
59.01232	1.7
63.20626	0.8
69.80040	4.8
71.01250	2.4
83.37543	1.0
87.65398	0.9
89.02324	0.9
92.92672	1.5
94.00687	0.7
95.01227	0.8
96.95885	0.8
98.19823	1.2
109.02856	3.0
113.02300	1.6
119.04910	1.0
133.02834	13.7
133.06512	1.2
134.03658	1.0
135.04398	3.1
149.02339	1.6
149.05913	0.9
151.03925	1.5
161.02419	0.8
163.03891	1.7
165.01875	1.0
175.03894	3.2
177.01880	2.0
177.05473	1.9
179.03374	1.4
187.03891	1.0
189.01790	1.0
191.03430	1.5
199.03854	1.6
201.01843	1.3
202.14326	0.8
203.03407	1.9
205.01387	1.9
205.04924	1.0
213.05396	1.2
217.05060	1.0
224.04318	1.2
227.03429	1.3
233.04402	1.1
235.02541	1.5
239.06955	1.0
245.04591	1.5
266.05637	1.1
267.07193	6.3
269.04379	2.0
269.08337	1.0
283.06088	1.3
284.03278	1.2
285.04071	1.9
295.06042	1.7
297.04056	5.8
298.04773	12.8
299.05554	6.4
300.06076	1.0
309.03995	2.3
310.04739	1.8
311.05566	10.4
312.06357	12.4
313.07132	13.0
318.82144	0.9
323.05579	2.3
325.07178	1.0
327.05090	11.9
328.05475	1.9
339.05093	20.6
340.05505	2.1
341.06589	11.8
344.05460	1.0
351.05161	2.7
353.06619	3.6
357.06128	6.1
367.04517	1.2
369.06125	60.2
370.06580	6.5
371.07724	1.6
381.06116	9.6
383.07816	1.1
397.05606	1.0
399.07220	42.8
400.07446	4.2
411.07166	6.7
429.08218	8.1
430.08231	1.7
441.08118	2.8
447.09128	3.6
453.08173	1.3
471.09161	3.5
489.10382	40.7
490.10690	4.9
519.11328	15.5
520.11670	2.0
587.48425	0.9
591.13708	2.8
609.14557	100.0
610.14911	17.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1458
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01236	3.4
61.98692	2.2
64.25650	1.4
65.00201	1.6
70.98882	3.6
71.01247	2.1
79.01756	2.3
83.01266	2.2
87.33728	1.5
109.02832	4.6
111.00773	1.9
119.04968	1.7
121.02850	1.5
125.02293	2.9
125.09425	1.6
128.03410	1.9
133.02832	22.4
135.04375	2.9
137.02353	2.8
143.04527	2.0
148.01544	2.2
149.02344	11.2
149.06027	1.7
151.00276	1.8
151.03909	2.2
153.01955	1.8
161.02330	3.7
163.00249	2.9
163.03922	3.0
165.01817	5.4
167.03436	2.7
175.00264	1.9
175.03920	5.8
177.01810	6.1
177.05492	2.7
178.99753	1.4
179.03362	3.3
187.03906	2.0
189.01923	2.3
189.05508	2.5
191.03391	3.0
193.01361	4.7
201.01807	4.1
203.03477	2.3
205.01352	3.8
205.04964	1.6
207.02953	3.6
213.05576	2.7
215.03453	2.1
219.02856	2.7
227.03535	2.3
235.02257	2.7
241.05008	2.4
252.00424	1.6
253.05171	1.8
257.04462	2.9
265.05124	1.9
269.04446	3.5
281.04507	2.7
283.05978	3.6
284.03168	2.5
285.03976	6.0
290.56036	1.7
297.04108	9.9
298.04861	13.0
299.05621	10.3
300.02740	4.3
301.03424	8.0
306.07767	3.1
309.03830	3.1
310.04541	3.0
311.05511	11.2
312.06357	13.3
313.03522	7.7
313.07098	11.4
314.04266	8.1
315.04788	3.4
323.05371	1.8
325.03519	7.6
327.05151	18.3
328.05557	4.4
329.03168	2.2
329.06870	2.5
339.05066	26.7
340.05551	2.4
341.02930	2.8
341.06482	11.2
343.04459	21.6
344.04980	2.8
351.05124	2.4
353.06677	6.1
355.04599	6.8
357.06091	4.1
367.04538	12.5
369.06140	45.8
370.06393	5.0
372.04639	1.7
373.05478	6.0
379.04578	2.3
381.06171	3.7
385.05627	23.1
386.05844	3.1
397.05688	8.4
399.07275	22.6
411.07129	4.4
415.06674	15.5
416.06949	1.7
427.06860	2.9
429.08020	5.4
447.09290	13.5
448.09225	2.1
453.07999	2.3
471.09473	12.3
487.08524	12.1
488.09595	3.5
489.10361	51.3
490.10489	7.9
501.10428	3.2
505.09863	100.0
506.10007	13.9
519.11816	3.0
573.12299	5.6
591.13574	67.1
592.13959	11.5
609.14545	83.2
610.15015	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	609.1457
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31823	0.7
52.35376	0.8
61.48505	0.9
61.98689	1.6
71.01252	0.8
71.03239	1.6
71.44972	0.7
83.01260	0.9
85.02790	0.9
89.02322	0.9
109.02839	3.1
121.02823	1.6
133.02844	11.8
134.03629	0.9
135.04369	1.5
147.04370	1.3
149.02319	2.7
149.05946	1.0
151.03905	0.9
153.01855	0.9
161.02347	1.8
163.03874	1.9
165.01831	1.3
171.08308	0.7
173.02437	1.0
175.03943	4.0
176.01028	0.8
177.01831	2.8
177.05359	0.8
178.99762	1.0
179.03288	0.9
187.03917	0.8
189.01781	0.8
191.03406	1.6
199.03888	1.3
201.01875	1.9
203.03455	2.2
203.46481	1.0
207.02936	1.7
213.05502	1.0
219.02890	1.9
221.04430	1.5
225.05466	1.1
239.07178	0.9
241.04968	1.7
247.52449	0.7
249.04042	1.6
251.01755	0.8
253.05142	1.2
255.03108	0.8
255.06560	1.0
256.03778	0.8
269.04639	1.7
271.06265	0.9
274.71249	0.8
281.04605	1.6
282.05252	0.8
283.06253	1.2
284.03232	2.6
285.04071	3.8
295.06082	1.1
297.04013	9.7
298.04764	17.1
299.05548	13.4
300.06018	1.4
307.75388	0.8
309.04068	1.9
310.04807	1.4
311.02078	1.5
311.05536	6.3
312.06351	4.0
313.03476	15.8
313.07126	5.5
314.03885	1.7
321.04126	1.2
323.05527	1.7
325.03455	2.4
325.07037	1.8
326.04205	3.1
327.05048	44.4
328.05450	4.1
330.03442	1.0
337.03500	0.8
338.04050	1.2
339.05014	17.1
340.05481	2.2
341.06537	5.2
344.05338	1.0
351.05118	1.4
353.06580	2.8
355.04587	9.2
356.04990	1.3
357.06149	14.7
358.06564	1.3
367.04514	4.2
369.06122	29.8
370.06482	2.8
371.07690	1.5
381.06058	4.0
385.05667	15.1
386.06058	1.6
397.05603	4.8
398.05835	0.9
399.07172	19.3
411.07159	2.9
413.09192	0.8
415.06784	4.5
429.08344	4.4
430.08426	1.3
441.07968	1.1
446.08627	1.5
447.09253	26.7
448.09555	2.7
453.07959	1.0
457.07611	0.8
459.09354	2.0
471.09363	1.5
475.08817	38.5
476.08954	4.5
487.08633	4.5
489.10355	44.8
490.10754	5.0
501.10587	1.4
505.09854	46.5
506.10190	7.9
519.11438	12.3
520.11859	1.6
531.11993	1.0
573.12268	4.2
591.13354	2.7
609.14551	100.0
610.14929	19.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1459
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92187	1.1
67.21517	1.0
69.68201	6.7
71.01256	2.5
79.01774	2.5
79.25529	1.0
83.01227	1.2
85.02818	3.2
93.03327	2.6
98.20532	2.1
99.00692	1.1
107.01336	1.3
107.04923	1.6
109.02837	3.3
111.00822	1.2
117.03343	8.3
119.04921	1.6
121.02860	3.0
123.00758	1.9
123.04400	2.1
124.01583	1.9
125.02332	1.5
133.02850	7.1
135.04398	4.2
137.02344	4.2
145.72575	1.2
147.04378	2.0
149.02350	4.5
149.06001	1.7
150.03123	1.5
151.00275	4.5
151.03902	3.9
153.01878	1.1
161.02301	4.0
163.00217	1.7
163.03915	3.7
164.01076	1.9
165.01840	3.8
167.03381	2.5
167.55089	1.3
173.02333	1.4
175.03987	6.0
177.01881	7.8
178.02567	2.2
179.03389	4.0
180.00629	1.2
187.03905	1.4
189.01895	2.2
190.02798	1.3
191.03477	3.8
193.01353	2.8
195.02907	1.4
195.04529	1.1
199.03857	1.6
201.02023	1.5
203.03448	3.0
205.01434	2.2
205.04985	2.2
206.02104	2.0
207.02917	8.5
207.05042	4.0
211.03969	1.3
217.01393	1.8
219.02931	7.1
220.03645	3.3
221.04474	1.3
225.05524	1.7
227.03462	1.6
235.02464	3.2
237.03737	1.4
239.07147	1.8
241.04996	3.6
242.05589	1.8
247.02521	1.8
249.03926	6.2
252.04216	1.3
253.05095	7.1
255.03035	1.5
255.06627	2.4
256.06665	1.1
261.04086	2.5
263.01956	1.5
267.06546	1.4
269.04547	4.9
279.05148	3.7
281.04572	11.0
282.05148	1.8
283.02994	1.5
283.06198	4.7
284.03363	2.4
285.04022	5.5
295.06006	2.7
296.06659	1.4
297.03973	6.2
298.04828	37.0
299.05411	7.2
309.03934	2.1
311.05502	5.8
312.06287	4.7
313.03497	15.3
313.07205	5.8
314.03979	2.0
323.05530	3.4
325.03543	2.5
325.06818	2.0
326.04291	12.5
327.04904	19.8
328.05356	2.7
330.03735	4.2
339.05115	12.2
341.06467	5.9
344.77130	1.2
351.04996	1.5
353.06647	4.7
355.04462	2.5
356.05106	1.5
357.06158	2.7
367.04486	2.4
369.01831	2.2
369.06146	27.5
370.06427	4.2
371.07455	2.4
381.06058	4.1
382.06705	1.3
382.91458	1.3
383.07883	1.9
385.05731	2.8
399.07230	18.9
400.07532	2.9
411.07413	2.5
429.07983	2.8
441.08124	1.7
446.08475	10.9
447.09067	3.9
459.09317	4.9
471.09665	2.8
475.08521	5.2
489.10373	76.2
490.10742	10.1
505.09851	9.7
506.10260	1.4
519.11450	9.6
531.11267	1.9
591.13525	5.0
593.14740	1.6
609.14606	100.0
610.14929	15.2
639.08942	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	609.1456
Annotation	Unknow
Peak:m/z	Relative Intensity
57.94140	2.5
61.98711	4.6
69.14467	18.7
69.14891	10.4
71.01239	3.6
85.02808	2.7
87.00851	2.5
87.21755	2.8
107.01271	3.3
109.02821	10.0
111.89877	2.8
121.02850	5.1
125.02314	4.0
133.02812	23.7
135.04431	4.1
137.02324	6.0
138.43159	2.8
149.02303	7.7
151.00227	4.4
161.02345	3.5
163.03958	4.1
165.01845	3.6
169.23567	3.1
175.03888	8.5
177.01859	9.8
179.03453	3.9
191.03378	3.3
193.01312	3.9
203.03389	4.8
205.01323	5.9
207.02945	4.7
253.05171	3.4
255.02930	6.2
271.02493	5.0
281.08139	3.0
285.04199	3.6
293.04614	3.6
295.06046	4.0
297.03879	6.1
298.04752	15.6
299.05493	14.3
300.02786	17.3
301.03400	8.4
309.03964	3.2
311.05536	13.1
312.06439	15.0
313.03668	6.6
313.07230	10.0
325.03616	4.0
327.05032	19.5
337.07217	5.5
339.05002	30.3
340.05682	4.2
341.06659	11.7
343.04529	11.1
351.05017	5.1
353.06741	4.6
355.04507	9.6
357.06042	3.9
367.04401	16.7
369.06122	66.0
370.06516	8.5
381.06174	8.0
385.05652	31.9
397.05453	8.3
399.07132	28.3
400.07504	4.2
411.07233	5.3
415.06818	23.8
416.07230	3.7
429.08347	3.4
443.10016	3.8
447.09219	5.1
457.11758	6.7
471.09412	11.9
487.08856	8.5
488.09302	3.7
489.10431	60.3
490.10706	8.1
505.09885	100.0
505.17319	4.8
506.10352	14.0
519.11078	3.3
573.12250	6.4
575.13751	4.2
591.13501	73.3
592.13934	9.2
609.14636	71.9
610.15167	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	609.1458
Annotation	Unknow
Peak:m/z	Relative Intensity
57.38371	1.4
59.01245	3.3
69.62141	8.9
71.01265	2.8
74.02374	1.9
79.01764	4.7
83.01265	2.6
91.70013	1.3
93.03335	2.2
97.02829	1.9
98.20148	4.7
101.02393	1.5
107.01273	2.7
107.04918	2.4
109.02848	8.5
111.00770	1.5
121.02869	3.2
123.04390	2.4
125.02309	3.3
133.02844	20.6
134.03606	2.2
135.04433	7.0
137.02336	4.3
143.04544	2.4
145.02834	1.9
147.04373	2.7
149.02357	13.5
150.03119	1.6
151.00246	5.3
151.03891	5.2
153.01926	1.6
161.02374	3.7
163.00250	2.8
163.03900	3.9
164.00987	1.5
165.01840	5.8
167.03345	2.9
173.02434	1.7
174.44418	1.4
175.03929	7.0
176.04251	1.4
177.01900	8.5
177.05493	2.4
178.02495	1.5
179.03432	7.4
180.04019	1.7
187.03847	2.1
189.01845	4.2
189.05469	2.1
191.03392	9.3
193.01360	9.3
195.02907	2.5
199.04034	1.6
201.01826	4.5
203.03461	4.8
205.01326	5.6
205.04982	1.6
207.02934	7.2
209.04431	2.1
213.05415	4.2
215.03389	2.9
217.01382	2.9
219.02980	5.0
221.04376	2.9
225.05481	2.8
226.06163	1.9
227.03358	2.9
229.05009	2.1
231.02908	3.5
235.02422	5.9
240.04089	1.7
241.04935	4.1
242.05658	2.4
243.02966	2.9
245.04552	1.7
249.03995	4.4
253.05040	2.9
254.05650	2.0
255.06639	1.7
257.04507	3.6
261.04169	1.8
263.01996	1.7
267.03143	1.5
267.06448	2.6
269.04443	4.2
270.05246	2.8
271.02518	2.1
271.06052	2.6
273.03903	1.5
273.91373	1.6
279.05093	1.9
283.06073	5.4
284.03275	2.0
285.04025	8.9
297.03979	7.3
298.04755	8.6
299.05435	8.2
300.02777	3.4
301.03448	7.0
306.07623	3.4
307.08154	1.8
309.03928	3.1
311.05573	11.9
312.06293	11.1
313.03473	7.6
313.07135	10.6
314.04321	23.0
315.04791	3.7
323.05624	2.6
325.03622	3.5
325.07269	2.2
326.04147	1.7
327.01822	2.2
327.05063	13.6
328.05807	5.7
329.02982	33.6
329.06479	2.0
330.03329	3.4
337.03439	2.9
339.05045	22.4
340.05426	2.3
341.06546	11.2
342.03622	3.6
343.04538	15.7
353.06665	4.0
355.04584	15.0
356.05051	2.7
357.06055	6.2
367.04483	13.9
369.06128	36.3
370.06467	3.1
371.07874	2.8
373.05530	4.4
379.04227	1.8
381.06110	5.1
385.05618	34.1
386.05951	4.6
387.06931	1.8
397.05627	10.3
399.07114	18.2
411.07147	1.7
415.06693	25.2
416.07126	3.3
427.06702	4.0
429.08197	2.2
441.07993	1.8
445.07501	4.3
446.08475	6.0
447.09427	6.7
459.09537	3.0
462.07874	8.8
463.08279	2.8
471.09305	7.2
475.08865	3.9
487.08835	6.0
488.09366	2.3
489.10403	36.5
490.10660	6.5
501.10471	2.2
505.09897	79.9
506.10120	12.9
519.11176	5.7
535.11023	6.5
573.12146	2.6
591.13397	35.9
592.14032	7.3
609.14563	100.0
610.14960	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	608.3203
Annotation	Unknow
Peak:m/z	Relative Intensity
58.18728	0.5
59.01256	0.7
60.99175	14.5
71.52204	0.7
78.95779	3.5
85.12084	0.7
87.00734	1.3
88.00291	3.2
88.98676	100.0
89.02318	15.1
89.99010	0.7
102.26938	0.6
124.99979	0.6
128.54555	0.6
145.63564	0.6
149.16983	0.7
152.99452	1.0
153.14671	0.6
277.92737	0.7
279.23251	4.1
280.23627	0.9
401.83551	0.7
433.23907	1.0
504.31012	1.4
560.62665	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	608.3204
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01229	0.9
60.99176	14.8
71.51680	0.5
72.16617	0.4
76.43860	0.4
78.95780	3.0
84.24656	0.3
87.00748	1.1
88.00277	2.5
88.98676	100.0
89.02312	18.2
89.99013	1.1
96.96830	0.8
97.54266	0.4
152.99475	1.4
279.23276	5.3
280.23773	0.6
301.35623	0.4
394.83044	0.5
433.23633	0.9
459.24982	0.5
483.87585	0.4
496.87106	0.4
504.31235	1.0
505.31900	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	608.2921
Annotation	Unknow
Peak:m/z	Relative Intensity
58.45662	0.2
59.01233	0.3
61.98697	100.0
62.98417	0.2
63.47918	0.1
64.44357	0.2
64.50834	0.2
67.71371	0.2
69.40151	0.4
69.40551	1.2
71.01257	0.2
73.09720	0.2
77.15816	0.2
78.98465	0.2
79.95625	0.4
80.69531	0.2
80.96375	1.7
87.84850	0.2
91.33559	0.1
94.97953	0.4
101.02287	0.2
108.23132	0.2
122.97474	0.2
132.59766	0.2
133.79453	0.2
134.97476	0.2
164.98543	0.3
186.69772	0.2
211.13373	0.2
225.00671	0.4
268.99899	0.2
369.25406	0.2
608.24658	3.1
609.15277	0.3
609.25555	1.0
615.24585	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	608.2923
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	0.8
61.98700	100.0
63.96087	0.1
66.74133	0.1
69.19797	0.3
69.20200	1.1
71.01249	0.9
73.02810	0.1
74.25767	0.1
75.00694	0.2
78.95789	0.1
78.98461	0.4
79.95598	1.0
80.96388	4.4
81.03346	0.2
82.82521	0.1
85.02830	0.3
87.00724	0.2
94.97960	1.1
98.20522	0.3
101.02323	0.3
106.98037	0.2
107.09271	0.1
113.02311	0.2
120.46568	0.1
122.97423	0.2
125.02340	0.3
127.36247	0.1
127.73876	0.1
134.97470	0.2
148.99088	0.4
152.98526	0.3
162.55016	0.1
164.98532	0.8
191.14369	0.3
192.80417	0.1
211.13269	0.6
224.57959	0.2
225.00642	1.0
298.04941	0.2
299.04642	0.2
307.62653	0.2
360.65305	0.2
369.06064	0.4
397.13434	0.2
399.07401	0.4
425.23969	0.1
447.09201	0.2
486.66458	0.2
489.10239	0.4
545.29657	0.2
608.24609	1.3
609.14801	0.8
609.25684	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	607.3333
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49533	0.6
57.03314	1.8
59.01249	21.6
60.01575	0.7
60.30453	0.6
61.98701	23.0
62.49029	0.6
64.17831	0.7
67.64284	0.7
69.03316	1.3
71.01250	14.3
71.50201	1.1
72.99164	1.0
73.02798	3.4
78.95770	0.9
79.92036	0.7
79.95597	2.6
80.96375	7.7
80.96806	1.0
81.03323	1.0
81.95190	0.7
82.95992	1.1
83.01250	1.6
85.02807	3.3
87.00747	2.6
89.02319	7.2
94.97975	2.0
95.01273	1.0
95.04848	0.7
96.95819	0.8
97.02817	1.2
99.47343	0.7
101.02321	9.8
113.02328	3.9
119.03380	2.6
122.97559	0.7
125.02301	3.4
136.61832	0.8
143.03419	1.5
152.98524	0.9
161.04482	2.1
164.98573	1.6
168.90802	0.6
179.05510	1.9
201.14917	0.7
209.11761	23.3
210.12090	2.0
225.00693	2.8
235.08228	3.4
240.04269	0.6
248.67699	0.7
252.34616	0.8
253.09178	0.9
255.91460	0.7
291.40143	0.7
307.31906	0.7
313.23779	5.2
314.24377	1.0
317.21255	0.8
327.19543	1.1
341.26898	4.5
357.26428	1.1
359.28006	100.0
360.28394	11.7
373.29688	1.5
397.13409	14.5
398.13757	1.1
401.29050	1.3
415.14359	6.1
436.02634	0.7
445.29578	5.6
547.38538	0.9
563.34473	4.5
564.34991	1.0
586.84991	0.7
607.24371	13.1
607.35022	4.2
608.24670	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.3333
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49533	0.6
57.03314	1.8
59.01249	21.6
60.01575	0.7
60.30453	0.6
61.98701	23.0
62.49029	0.6
64.17831	0.7
67.64284	0.7
69.03316	1.3
71.01250	14.3
71.50201	1.1
72.99164	1.0
73.02798	3.4
78.95770	0.9
79.92036	0.7
79.95597	2.6
80.96375	7.7
80.96806	1.0
81.03323	1.0
81.95190	0.7
82.95992	1.1
83.01250	1.6
85.02807	3.3
87.00747	2.6
89.02319	7.2
94.97975	2.0
95.01273	1.0
95.04848	0.7
96.95819	0.8
97.02817	1.2
99.47343	0.7
101.02321	9.8
113.02328	3.9
119.03380	2.6
122.97559	0.7
125.02301	3.4
136.61832	0.8
143.03419	1.5
152.98524	0.9
161.04482	2.1
164.98573	1.6
168.90802	0.6
179.05510	1.9
201.14917	0.7
209.11761	23.3
210.12090	2.0
225.00693	2.8
235.08228	3.4
240.04269	0.6
248.67699	0.7
252.34616	0.8
253.09178	0.9
255.91460	0.7
291.40143	0.7
307.31906	0.7
313.23779	5.2
314.24377	1.0
317.21255	0.8
327.19543	1.1
341.26898	4.5
357.26428	1.1
359.28006	100.0
360.28394	11.7
373.29688	1.5
397.13409	14.5
398.13757	1.1
401.29050	1.3
415.14359	6.1
436.02634	0.7
445.29578	5.6
547.38538	0.9
563.34473	4.5
564.34991	1.0
586.84991	0.7
607.24371	13.1
607.35022	4.2
608.24670	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28656	8.1
54.83292	8.0
59.01249	100.0
67.63190	8.2
69.22944	81.0
71.01247	27.4
73.02811	30.8
83.01286	10.9
85.02819	9.4
87.00739	13.1
89.02312	10.8
96.95868	9.9
101.02328	43.3
113.02341	20.3
127.86208	9.2
179.07057	65.2
281.08234	10.5
294.01474	8.5
309.07803	17.3
334.18506	8.9
339.12311	20.7
359.15024	9.0
396.92590	9.3
463.76505	10.5
499.73117	10.3
503.19348	9.6
530.26923	9.8
563.21973	11.7
618.15186	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	607.2427
Annotation	Tiliasine
Peak:m/z	Relative Intensity
55.86554	0.5
58.81417	0.5
58.88673	0.4
59.01241	1.4
61.98701	11.5
63.96097	0.9
65.55913	0.4
65.96112	0.5
69.03320	1.0
70.36533	0.5
71.01251	5.7
71.08124	1.0
73.02803	1.6
74.70827	0.5
76.34191	0.6
78.95793	0.6
78.98455	5.4
79.95605	12.3
80.96385	61.8
83.57529	0.5
85.02803	2.3
87.00752	2.9
94.97961	15.2
96.95873	0.8
97.02820	1.3
101.02313	2.9
105.05495	0.5
106.97958	2.7
110.70592	0.6
113.02314	0.6
122.97448	4.9
125.02316	2.7
127.03875	1.0
134.97458	4.3
136.99010	1.4
148.99045	5.4
152.98531	5.7
152.99586	0.8
164.98528	9.9
167.00117	0.7
179.90005	0.5
182.99612	1.6
206.99631	2.6
225.00684	13.7
226.00983	0.6
233.93811	0.6
243.01607	1.0
244.23511	0.6
299.04333	1.1
299.67581	0.6
500.73059	0.8
589.17505	0.5
607.24268	100.0
608.24554	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	607.2428
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91201	0.6
59.01239	2.1
61.98701	44.6
63.64673	0.7
63.96118	1.9
69.03311	0.8
71.01258	8.8
71.07811	1.2
73.02815	2.0
78.95756	1.6
78.98462	6.9
79.95603	15.3
80.96386	75.7
85.02816	2.9
87.00739	2.9
94.97958	15.9
96.95908	0.9
97.02841	2.2
101.02316	2.9
106.97968	3.6
113.02378	0.9
122.97450	3.7
125.02338	3.5
134.97464	5.2
136.99005	1.3
143.03255	0.8
143.04440	0.7
148.99062	7.0
152.98514	4.8
152.99579	1.2
164.98532	12.1
175.20250	0.7
206.99612	2.3
209.11772	1.2
211.13240	0.7
225.00703	14.0
227.12794	0.9
238.85178	0.6
277.36954	0.8
299.04465	3.2
381.83716	0.8
515.84100	0.8
607.24298	100.0
608.24561	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	607.2561
Annotation	Epoxypheophorbide a
Peak:m/z	Relative Intensity
60.22070	1.1
61.45758	1.3
61.98684	2.2
63.71378	1.2
69.85054	6.8
92.21353	1.2
98.20488	1.6
104.04925	3.9
106.06532	3.0
108.08041	2.7
130.06442	1.7
162.05563	1.8
221.10786	3.1
223.12318	4.5
224.09383	2.1
225.13985	2.1
235.12393	3.0
237.06873	1.3
237.13942	1.6
239.15486	2.0
250.07365	1.7
265.09799	5.3
309.12842	1.4
322.40927	1.2
354.15884	1.9
356.21432	3.1
431.18674	1.6
443.18832	2.6
446.17371	4.9
457.20291	4.2
459.17737	2.9
459.22302	1.4
460.18912	4.7
461.18591	1.8
463.25113	1.6
471.21851	2.9
472.22580	8.8
474.20517	4.8
475.20929	9.0
476.21973	1.3
487.18506	2.3
487.25098	23.2
488.25668	2.7
489.23273	2.1
499.21021	2.0
501.19391	1.7
502.20184	4.2
503.24799	2.3
513.23077	4.9
516.21698	3.8
519.19836	1.6
531.23981	55.5
532.24310	10.5
534.22614	2.4
547.23730	1.3
563.26599	1.4
575.22955	77.1
576.23206	16.3
607.25623	100.0
608.26001	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	607.1666
Annotation	Unknow
Peak:m/z	Relative Intensity
54.78106	0.9
57.03315	2.5
59.01247	23.0
61.98704	8.7
69.23389	5.7
69.23835	5.6
71.01251	10.7
72.99161	1.8
73.02807	3.3
74.02357	2.6
75.00740	1.8
83.01247	2.4
85.02822	7.9
87.00737	3.0
88.98678	2.2
89.02326	9.0
97.02833	1.3
97.03905	1.1
101.02304	8.6
106.89531	1.0
109.02834	1.9
111.00764	1.9
113.02333	5.3
117.03366	1.2
119.03350	2.5
124.59174	1.1
125.02274	1.9
129.01813	2.9
133.02826	15.8
133.25552	1.1
135.98189	1.7
137.97803	1.3
143.03394	1.1
144.82605	1.1
149.02333	1.2
151.00279	1.7
157.08641	1.8
161.02336	3.5
161.04449	2.3
163.00233	9.1
175.00226	1.2
175.02527	1.2
175.03944	3.4
178.98134	1.2
197.06091	1.3
198.03249	1.2
199.03914	1.5
201.01813	2.5
202.99767	3.3
205.03473	1.4
209.11758	15.0
211.03976	1.3
224.04521	1.3
225.05585	3.1
227.03365	1.9
241.05023	1.8
251.03433	1.9
253.04996	8.8
255.02942	3.1
263.51898	1.1
269.04465	4.5
270.05115	1.9
284.03214	4.7
285.04016	41.9
286.04367	2.6
293.18710	3.0
297.04016	63.4
298.04782	67.8
299.05276	11.2
309.04016	17.1
310.04385	2.1
311.05557	24.9
312.06076	2.6
321.04053	3.0
322.04471	1.3
324.02771	2.9
325.03494	19.4
325.07028	1.8
326.04123	3.6
327.05051	18.2
328.05356	2.6
330.03827	6.2
337.03497	36.5
337.07532	2.1
338.03851	6.2
339.04977	7.1
349.03659	1.4
355.04529	1.9
357.06186	3.9
365.06390	2.4
367.04483	4.4
367.08212	2.4
368.05032	1.5
383.07581	2.3
385.05621	2.2
393.06158	4.4
397.13388	5.3
411.07184	100.0
412.07477	11.1
415.14560	3.2
429.08340	2.6
445.24078	2.2
473.10846	21.3
474.11105	2.9
503.32211	4.2
531.11224	1.8
573.26086	2.5
575.13989	36.9
576.14569	7.0
607.16663	71.0
607.26440	8.9
608.16919	14.3
608.25830	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	607.1668
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05089	1.7
70.07842	6.5
101.02345	1.8
128.03435	3.4
167.41040	2.1
211.06465	1.9
249.05380	2.5
269.04544	38.7
270.05032	4.0
281.04581	1.8
282.05234	3.5
283.06085	11.8
284.03214	5.2
295.06165	2.2
296.03244	9.3
297.04001	38.9
297.07324	3.3
298.04745	11.7
299.05527	3.8
311.05630	43.1
312.02994	3.5
312.06351	80.7
313.06769	8.7
323.05679	2.9
324.02982	2.8
326.04141	3.0
327.05032	4.9
339.05072	3.9
340.05829	2.4
341.06674	16.1
344.05276	7.4
371.07816	3.2
474.64096	2.1
503.11951	72.4
504.12277	7.7
505.10327	2.7
533.12958	18.4
534.13049	2.4
589.15814	3.7
607.16675	100.0
608.17096	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	607.1666
Annotation	Unknow
Peak:m/z	Relative Intensity
57.63140	0.3
59.01211	0.5
59.38869	0.3
64.91935	0.4
69.20403	3.4
69.97189	0.4
72.00852	0.3
73.18870	0.3
75.00727	1.2
96.18130	0.3
98.19770	0.7
99.42067	0.3
104.08121	0.3
105.97742	0.4
132.02032	0.4
133.02797	0.6
145.02779	0.4
149.02335	0.5
151.00264	0.4
153.01820	0.6
161.02237	0.4
163.00310	0.6
178.99724	1.0
179.03349	0.4
191.03477	0.4
227.03453	0.7
241.05048	0.5
255.03036	1.7
256.03622	1.2
267.02902	0.7
268.03674	1.7
269.04535	17.1
270.04886	1.4
281.04263	0.5
282.05347	0.6
283.02371	1.1
283.06015	1.4
284.03244	7.0
284.06207	0.8
285.03778	1.4
295.02652	0.5
295.06018	0.4
296.03278	1.9
297.04022	15.6
298.04782	12.5
299.05481	3.2
308.03183	0.5
309.03979	1.4
310.04868	0.8
311.05585	5.1
312.02710	21.5
312.06357	7.1
313.03339	6.0
313.07062	2.4
314.03836	0.4
324.02618	0.6
325.03534	8.0
325.07022	0.4
326.04196	2.7
327.05066	35.7
328.05447	3.7
330.03586	0.4
339.05173	1.9
340.05817	1.1
341.06625	18.0
342.06937	1.8
344.05383	0.7
353.06592	0.9
355.04437	2.5
355.08313	0.5
356.05215	1.3
357.06067	0.4
369.06226	0.5
371.07773	3.1
383.07568	1.3
399.07336	0.7
399.31253	0.4
401.08704	1.7
411.07156	0.8
427.10086	0.4
429.08200	6.8
430.08667	0.8
444.10516	0.8
445.11429	4.5
446.11987	0.5
459.09183	0.9
475.08765	2.5
476.08975	0.6
492.74149	0.5
503.11728	0.9
575.13629	0.4
592.14307	2.0
607.16650	100.0
608.17047	16.8
608.27081	0.6
629.20197	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.1666
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95940	0.7
59.01244	9.0
65.13697	0.7
68.04640	0.8
71.01227	2.7
85.02805	0.8
87.00735	1.5
89.02327	1.6
101.02366	1.0
121.02818	1.8
122.03705	0.7
125.02387	0.9
132.02174	0.8
133.02823	3.7
134.03622	3.1
146.98306	0.9
150.03185	1.1
151.03836	0.8
153.01891	0.7
161.02312	1.5
163.00258	2.8
163.03914	1.0
165.01843	0.9
201.01846	1.5
211.04115	1.1
225.05470	1.1
226.06311	0.9
227.03360	1.0
241.05054	2.0
253.05057	1.1
255.02921	2.9
269.04608	2.9
270.05304	2.6
283.02518	0.9
284.03333	1.3
296.02988	0.9
297.04025	30.2
298.04794	88.2
299.05182	8.5
308.03391	0.9
309.04089	4.4
311.05853	0.8
312.06213	0.9
313.07013	6.5
322.04718	1.3
323.05554	2.5
324.02826	1.7
325.03531	17.4
325.06995	1.3
326.04007	4.5
327.04922	1.3
329.13968	1.2
330.03934	2.3
337.06982	1.2
339.04837	1.0
339.08725	1.5
340.05945	2.0
341.06613	100.0
342.06903	9.2
344.05301	1.0
348.06622	1.1
350.04282	1.5
351.05060	1.1
353.06580	0.9
355.08151	4.6
365.06693	2.0
381.09390	1.0
383.07697	22.0
384.07993	2.5
391.08267	2.7
394.07086	1.1
403.17709	4.5
409.09271	8.3
427.10281	21.7
428.10696	2.6
473.34573	0.8
494.97427	0.7
589.15338	2.1
607.16656	82.1
608.16925	15.1
632.04553	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.3817
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09141	0.6
52.05179	0.6
54.22464	0.6
55.05363	0.6
59.01221	0.7
61.98704	0.7
68.42570	0.6
70.98106	1.4
71.41977	0.6
73.36099	0.6
78.95770	33.8
88.98656	1.1
93.03348	4.3
93.03835	0.7
93.77151	0.6
96.96834	8.9
99.38409	0.7
109.49578	0.6
120.90218	0.6
134.04596	4.4
135.11736	0.6
148.08778	1.2
150.10385	1.2
150.97841	1.2
165.12746	25.9
166.13077	1.9
175.11163	0.8
185.57448	0.6
191.14301	0.8
217.15886	0.7
220.21155	0.5
234.19218	0.5
244.10768	5.8
247.20615	14.0
267.14026	0.7
273.18567	8.0
291.19641	100.0
292.19992	10.0
313.17834	25.3
314.18161	1.8
328.04620	0.9
346.05545	21.7
605.38184	33.6
606.27039	2.1
606.38629	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	606.2701
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03297	0.3
53.52827	0.3
61.98704	0.6
62.26131	0.3
69.38697	1.7
69.39133	0.8
78.95771	100.0
81.19232	0.3
87.61186	0.3
88.98672	2.1
93.03311	1.5
96.96837	27.3
103.74449	0.3
107.03520	0.8
131.85750	0.3
132.08586	0.3
134.04616	12.9
138.97864	1.1
146.89899	0.3
150.10416	0.5
150.97931	3.3
152.99564	0.3
164.11531	0.3
165.12741	5.5
166.13106	2.2
174.71593	0.3
175.11276	0.4
176.11754	0.3
192.06741	0.3
192.98952	1.1
211.00089	1.7
215.40176	0.3
244.10721	1.4
245.11047	0.7
247.20609	2.5
248.21013	1.9
273.18552	1.2
274.18933	1.1
291.19656	17.2
292.20001	12.5
292.23346	0.5
293.20279	0.7
302.57724	0.3
313.17828	3.7
314.18155	2.9
328.04474	2.7
346.05536	61.8
347.05829	4.9
539.56311	0.4
577.06812	0.3
605.38330	1.2
606.27063	4.4
606.38495	8.0
607.26941	1.1
607.37378	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	606.2765
Annotation	Unknow
Peak:m/z	Relative Intensity
58.94655	0.2
59.01241	0.4
61.98699	100.0
62.98412	0.3
63.72471	0.2
64.25145	0.2
70.52078	0.6
71.01253	0.5
78.95760	0.3
78.98449	0.2
79.95618	0.4
80.45702	0.2
80.96387	1.7
97.54326	0.2
98.20450	0.2
101.02289	0.2
108.02068	0.3
126.46368	0.2
134.97513	0.2
146.35898	0.2
152.01025	0.2
174.01624	0.4
177.10095	0.2
225.00688	0.5
315.07190	0.4
509.17499	0.2
607.24255	2.5
617.41010	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.1665
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26109	0.6
57.03318	1.2
58.90981	0.6
59.01245	6.7
61.98690	1.4
63.60187	0.7
65.00171	1.5
68.89634	0.6
69.15175	4.2
69.15603	3.8
71.01225	2.3
72.99171	0.9
73.02791	1.8
82.49155	0.7
82.53972	0.6
83.01184	0.7
85.02798	1.6
86.71983	0.6
87.00722	1.1
89.02298	1.8
89.07894	0.7
93.46624	0.7
109.02808	2.1
112.48584	0.7
113.02316	1.4
114.05531	0.7
133.01846	1.3
133.02831	15.3
134.03563	2.3
135.00777	1.4
149.02306	1.3
151.00229	1.8
161.02327	3.7
161.04463	0.8
163.00278	7.9
165.01825	1.5
173.02345	1.0
175.00345	1.2
175.02419	0.9
175.03882	2.4
175.43639	0.6
177.01840	1.3
181.06557	0.7
187.03983	0.7
189.01808	0.9
199.03938	1.6
201.01859	3.4
202.99768	2.7
211.03967	1.4
217.04922	0.7
225.05466	3.1
226.02473	0.7
227.03374	2.3
241.04915	1.3
242.05850	0.6
243.03055	1.1
251.03516	1.2
253.05048	2.5
255.03049	2.1
267.02969	0.9
269.04541	3.0
270.05289	1.5
281.04636	1.0
284.03094	3.3
285.04031	33.2
285.07211	1.6
286.04401	2.2
293.04626	1.7
295.02252	0.8
297.04025	56.4
298.04764	56.0
299.05307	9.0
309.04031	12.4
310.04520	2.9
311.05566	18.5
312.06009	2.8
313.03543	1.4
321.04129	2.4
322.04709	0.9
323.05579	1.6
324.02826	1.6
325.03537	16.3
325.07028	1.0
326.03867	4.3
327.05069	15.2
328.05530	1.2
330.03793	4.4
337.03497	37.5
338.03970	4.8
339.04922	6.5
349.06989	0.9
351.05035	1.6
353.02997	2.4
355.04639	1.8
357.06073	1.8
365.06744	1.7
367.00458	0.9
367.04489	3.8
367.08240	1.5
369.06015	1.1
385.05603	1.3
393.06207	4.7
411.07181	100.0
412.07477	11.0
428.07651	0.9
428.63058	0.8
429.08231	3.3
473.10876	16.8
474.11353	2.3
557.12811	1.3
563.30853	1.2
575.14032	37.3
576.14215	6.2
607.16711	33.4
607.25769	1.0
608.17084	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	605.3176
Annotation	Unknow
Peak:m/z	Relative Intensity
55.62721	3.6
59.01243	69.0
61.98694	41.8
65.75404	3.8
69.16252	8.4
69.16651	33.0
71.01248	29.1
72.99203	4.8
73.02813	7.0
78.95776	10.0
82.77290	3.7
83.01225	4.2
83.04872	3.7
84.07969	3.2
85.02812	8.4
87.00739	5.9
89.02281	19.3
96.95938	3.6
101.02319	24.1
111.08062	18.4
113.02319	12.1
119.03374	5.7
146.36694	3.6
152.99484	10.1
155.95781	3.2
161.04434	7.1
166.56812	3.7
169.12248	6.4
179.05560	4.9
197.11772	74.8
198.12144	4.8
199.13196	4.8
211.13345	15.5
253.09282	96.6
254.09653	5.4
291.19641	25.5
309.20679	100.0
310.21097	8.5
371.97336	3.9
430.29599	4.5
462.33615	3.6
563.38373	5.3
578.00500	4.3
587.22681	6.7
605.32141	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	605.3177
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18583	1.4
57.03312	1.3
59.01248	76.2
60.99855	1.1
61.98701	86.8
66.87387	1.2
71.01260	12.6
71.16634	0.9
71.50282	1.0
72.99170	3.0
73.02821	5.9
75.00753	1.3
78.95760	2.0
79.95629	1.9
80.96399	4.5
83.01264	4.5
85.02814	5.7
87.00739	2.7
89.02299	3.0
94.97939	1.2
99.00756	1.6
101.02335	9.6
113.02346	5.0
119.03409	1.4
125.09556	1.2
126.99428	5.6
138.45659	1.0
147.15863	1.1
161.04428	1.7
171.10170	2.0
184.13310	1.2
185.11678	1.4
209.16400	1.3
211.13283	2.4
222.21594	1.1
225.00609	1.3
253.09250	1.2
282.59674	1.1
291.19626	2.9
309.20670	1.4
327.25391	2.4
339.25314	5.9
357.26358	13.2
367.06320	1.1
369.22769	1.4
501.30621	4.4
519.31616	8.2
520.31952	1.4
561.32733	100.0
562.33081	18.1
605.22144	8.4
605.32593	3.3
606.23047	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	605.318
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97107	1.8
57.03303	2.9
59.00962	3.2
59.01249	58.5
61.98188	2.3
61.98702	31.6
69.03355	2.3
71.01253	29.6
72.99162	6.2
73.02808	8.7
78.95756	2.4
78.98448	3.6
79.95609	40.2
80.96388	53.6
83.01226	2.3
85.02826	13.4
87.00751	10.7
89.02303	9.6
94.97969	11.2
96.95871	6.0
98.19797	6.3
99.04397	2.9
101.02324	14.0
111.00775	4.1
113.01527	1.9
113.02316	8.5
119.03377	3.4
122.97438	3.9
125.02375	5.2
134.97511	3.7
136.99014	2.8
148.99059	4.5
152.98473	5.1
161.04440	3.6
164.98500	8.8
176.12737	2.1
179.05516	3.7
182.99571	2.5
185.11748	3.1
206.99620	4.4
225.00714	12.4
309.24210	4.9
327.25256	7.6
339.25244	9.9
357.26566	19.8
383.24252	7.1
399.09570	3.4
429.42078	2.4
441.21918	2.4
501.30414	9.6
519.31793	20.0
520.32257	3.7
561.32800	100.0
562.33075	15.4
563.34552	4.2
605.22516	96.7
605.32526	9.4
606.22913	18.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.2405
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98692	0.5
63.70657	0.4
71.06039	0.9
74.89661	0.4
75.14992	0.4
93.66737	0.4
96.95904	3.0
106.06494	0.5
111.69296	0.4
137.21910	0.4
139.01840	0.4
199.78918	0.5
237.67972	0.4
415.15292	0.7
416.16605	0.9
424.16434	0.6
428.16327	1.0
429.17188	1.0
430.17841	1.4
443.19183	1.0
457.20920	2.5
459.17758	3.6
461.23514	0.5
470.21222	0.8
471.18338	1.6
472.18735	0.7
473.19650	5.2
474.20340	1.1
475.21338	0.9
476.18774	0.5
485.19574	1.9
485.24310	1.2
486.20673	3.7
487.21063	1.4
496.18784	1.1
499.17563	2.0
500.18405	0.5
501.22717	2.4
502.20789	0.5
504.18311	0.5
511.21378	3.1
512.22162	1.0
513.19385	3.0
514.20013	9.5
515.20593	1.6
517.18646	0.6
518.19513	1.9
528.21466	1.1
529.22412	100.0
530.22717	19.3
532.20953	1.7
533.21820	2.1
561.25018	1.1
573.21490	0.9
595.19086	0.5
605.23328	0.9
605.44427	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.2404
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98687	0.8
69.41170	3.6
69.41576	1.5
71.52022	0.6
78.55313	0.7
96.95891	2.8
100.25113	0.7
102.10686	0.6
328.10022	0.7
401.18185	0.9
429.17218	1.3
430.17804	1.9
443.18976	1.2
457.20438	1.9
459.17938	3.5
471.18332	1.3
472.18930	1.6
473.19754	5.7
474.20328	1.0
485.19836	2.3
486.20743	4.5
487.20801	0.9
496.18686	1.0
499.17715	2.1
501.23596	3.3
511.21457	2.7
513.19208	4.7
514.20050	8.0
515.20313	1.5
517.19043	0.9
518.19708	1.8
529.22437	100.0
530.22754	21.1
532.21265	2.0
533.21820	1.6
561.25238	1.2
573.21790	1.6
605.23395	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.1876
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29817	6.8
53.10683	5.4
58.72802	6.2
59.01255	100.0
69.81480	38.3
71.01254	47.9
73.02812	50.6
78.32169	6.7
83.01250	14.9
85.02814	7.4
89.02329	10.9
92.92966	5.5
98.19811	11.3
101.02327	61.5
113.02302	20.4
133.02892	6.4
136.01608	7.1
148.16472	6.5
161.04469	23.3
175.16689	6.5
281.08173	8.8
298.04620	9.2
299.05139	9.2
300.98172	6.1
309.07547	22.8
309.11356	23.0
312.06332	6.8
324.10004	9.5
336.87888	7.5
339.12341	39.4
398.88724	7.1
473.25702	6.6
492.08670	6.4
508.66357	5.8
519.11151	14.3
527.31976	6.4
578.14105	8.3
605.15607	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	605.1876
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34941	2.4
50.70322	2.7
51.18067	2.4
51.75947	2.2
54.00113	2.5
55.28249	2.7
59.01244	5.6
61.98697	6.4
70.84167	7.7
83.02380	4.9
83.91772	2.4
96.95866	3.5
111.93330	2.9
121.02824	8.2
124.58949	2.9
165.05479	9.5
175.03870	5.3
185.36807	2.7
190.06223	4.3
203.06964	3.1
222.05188	6.6
239.07011	3.1
262.22916	3.4
263.06982	5.2
269.08276	6.3
279.06677	3.6
281.08182	9.0
283.09738	3.9
291.06601	3.7
293.08105	4.7
297.07709	26.2
308.10574	3.7
309.07620	35.6
309.11319	10.6
310.08008	4.4
312.06390	4.1
312.10028	25.5
313.10449	3.8
323.09213	7.4
324.09897	24.3
327.12360	100.0
328.12659	9.1
339.12347	86.9
340.12665	6.3
371.34845	2.9
519.35992	2.8
545.19934	4.4
578.14740	11.5
605.15759	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	603.4265
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01267	2.7
61.11247	2.0
61.98680	2.4
70.89204	2.9
70.89531	5.0
71.04889	2.8
73.32876	2.2
78.95776	3.9
80.02518	2.4
81.44009	2.1
84.35746	2.0
93.86562	2.1
95.04899	3.3
96.95876	3.7
97.02801	4.1
97.06463	4.1
98.03622	2.8
109.06448	3.4
113.09576	2.4
115.07509	2.7
123.04397	2.5
123.08044	2.2
125.09607	7.4
126.09897	2.1
137.09630	3.2
141.05475	4.3
153.09100	6.3
155.10652	10.2
163.11182	4.2
165.12778	10.3
171.10161	19.2
177.12747	3.4
177.70520	2.2
181.12326	4.1
185.11650	12.5
186.79277	2.3
191.14323	6.7
195.13846	13.1
197.11774	3.7
207.10210	2.7
209.11760	5.6
211.13295	3.8
223.13318	3.4
225.11269	4.4
245.19008	18.7
247.20612	6.9
277.21722	7.6
289.18069	63.8
290.18393	5.0
291.19641	65.2
292.19922	7.3
293.21170	42.5
294.21371	5.8
295.22751	53.8
296.23145	3.3
307.19095	80.5
308.19501	8.9
309.20670	100.0
310.21078	13.7
311.22241	15.2
325.20145	25.9
327.21713	16.3
328.21902	2.9
361.78333	2.2
420.30267	2.4
567.40479	5.0
585.41290	7.6
603.41486	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	603.3383
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01748	0.9
57.03305	1.9
58.00453	2.9
59.01248	39.0
61.98701	0.7
62.81933	0.7
64.87653	0.7
69.03304	1.8
71.01252	46.6
71.51739	0.9
72.01583	0.9
72.99183	3.2
73.02815	8.2
74.42236	0.6
75.00729	1.4
78.95775	3.0
83.01250	10.3
85.02819	12.1
87.00749	47.0
89.02313	40.3
95.01262	3.4
96.95889	1.3
97.02814	1.1
99.00755	2.2
101.02325	24.6
111.00762	0.8
113.02327	30.8
114.02672	1.1
115.03897	0.8
119.03400	12.7
121.27681	0.8
125.02301	2.0
125.05970	0.9
129.01804	2.5
131.03403	2.0
135.42316	0.7
141.01843	3.2
143.03394	9.2
149.04448	1.4
152.99466	1.7
159.02875	0.9
161.04474	11.8
171.10214	1.9
179.05536	16.0
180.05849	1.0
201.72737	0.7
263.23666	1.3
265.25262	1.2
275.23767	1.8
279.23279	100.0
280.23627	9.4
291.23242	1.0
293.24878	25.5
294.25150	2.4
303.23248	1.6
321.24332	7.7
323.09845	14.6
333.24512	1.2
337.23782	1.1
341.10843	48.0
342.11206	3.6
367.61859	0.9
369.41907	0.8
469.63550	0.7
603.33844	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	603.3383
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01744	0.8
56.54993	0.5
57.03313	1.6
58.00456	2.4
59.01246	36.8
61.98681	0.8
68.99606	0.7
69.03299	1.2
71.01250	45.2
71.06042	1.3
71.06396	0.9
72.01605	0.7
72.99171	2.7
73.02820	7.4
74.67325	0.6
75.00744	2.2
78.95767	2.1
81.03362	0.8
83.01249	11.1
85.02824	11.2
86.93226	0.5
87.00745	49.9
89.02309	40.1
95.01239	4.1
97.02829	1.8
99.00766	1.9
101.02320	26.1
105.83480	0.6
111.00715	0.8
113.02328	31.0
115.03922	1.1
117.26659	0.7
119.03384	13.1
119.18323	0.6
125.02338	1.9
129.01810	2.4
129.63937	0.6
130.92072	0.6
131.03368	2.9
138.94876	0.5
139.07536	0.9
140.72900	0.5
141.01793	3.0
143.03386	8.3
152.99432	2.2
159.02948	1.4
161.04457	10.9
171.10194	2.4
179.05516	15.6
203.15511	0.6
212.29742	0.6
219.63647	0.6
263.23874	1.3
275.23862	2.4
279.23273	100.0
280.23627	8.1
291.23297	0.8
293.24844	25.3
294.25195	2.2
295.23001	0.9
303.23212	2.4
321.24338	7.4
323.09796	14.7
337.23901	1.1
341.10834	49.1
342.11151	3.2
351.25571	0.9
554.56927	0.6
603.33490	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	603.3381
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01763	0.6
57.01675	0.3
57.03321	1.7
58.00453	2.9
59.01247	49.6
60.01589	0.5
69.03321	1.2
69.88756	1.1
69.89164	0.5
71.01250	52.2
72.01595	0.5
72.69227	0.3
72.99183	3.2
73.02811	4.0
75.00751	1.1
78.95759	0.5
81.03361	0.5
83.01251	6.8
83.04847	0.4
85.02820	9.8
87.00746	20.0
88.01091	0.5
89.02312	49.2
90.02666	0.8
95.01270	3.2
96.95869	0.5
97.02821	1.4
98.19870	0.4
99.00754	1.4
101.02319	26.2
101.87719	0.3
102.02679	0.5
103.41299	0.3
111.00760	0.9
113.02324	26.5
114.02702	0.6
115.03881	1.0
117.01789	0.5
119.03383	19.4
120.03758	0.5
123.00793	0.3
125.02300	1.5
129.01877	0.9
131.03398	2.9
139.00334	0.3
141.01839	1.4
143.03397	8.3
149.04445	2.2
152.99515	0.4
159.02892	0.6
161.04457	9.0
162.04887	0.4
179.05530	18.3
180.05748	0.6
203.05562	0.4
212.28961	0.3
218.37030	0.3
245.06537	0.4
261.22299	0.5
263.23764	0.4
268.19443	0.4
275.23758	0.8
279.23276	100.0
280.23611	9.9
280.26688	0.3
293.24829	10.4
294.25266	1.0
303.23309	1.2
321.24252	3.7
322.24802	0.4
323.09802	12.3
324.10068	1.0
331.23151	0.4
341.10843	39.1
342.11121	2.4
351.25272	0.4
497.84076	0.3
555.63440	0.3
603.34259	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	603.3019
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96887	0.7
59.01234	2.5
60.99173	5.6
61.98707	1.1
69.29501	8.4
78.95776	7.7
83.82679	0.8
87.00758	6.6
88.00282	10.1
88.98672	35.8
89.02312	100.0
90.02642	1.6
98.19662	0.8
109.23669	0.9
148.90865	1.0
149.50281	0.8
152.99425	3.1
171.10182	6.0
172.50461	0.9
238.94661	0.9
264.07159	0.9
277.21588	1.6
295.22769	3.5
305.24734	1.2
307.09341	2.1
407.37897	0.9
431.21927	1.3
465.61871	1.0
530.32806	0.9
603.33136	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	603.3023
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63902	6.8
51.83201	6.3
57.03328	11.3
57.92093	5.8
59.01249	76.4
59.23433	7.6
59.49134	6.1
61.98694	31.1
70.56100	19.4
71.01269	32.7
73.31883	6.3
76.29771	6.1
78.95782	10.7
79.47050	6.3
83.32788	7.3
85.02824	7.5
87.71481	6.2
89.02314	20.7
96.95880	13.5
97.06454	11.1
101.02318	19.4
101.03072	6.3
113.02328	7.5
116.96463	6.8
147.41084	6.3
151.11192	14.9
161.04442	6.7
165.12701	15.8
171.10225	17.3
172.10629	6.8
173.95331	8.0
181.12225	12.5
191.10674	11.0
209.11729	42.3
211.13298	25.6
212.13654	12.8
227.12863	14.5
244.14610	7.2
245.18924	8.8
253.09300	53.4
263.20071	19.3
289.18085	29.9
307.19107	100.0
325.45944	8.0
403.62918	7.1
445.20609	24.8
543.28082	10.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.302
Annotation	Unknow
Peak:m/z	Relative Intensity
53.64674	2.5
57.26572	2.6
59.01246	59.8
61.98705	31.0
61.99200	2.5
68.84391	2.8
70.90618	5.9
70.90965	5.0
71.01251	18.4
72.99160	4.3
75.00729	22.2
78.95760	3.7
81.03323	4.2
83.01255	5.2
85.02809	6.6
89.02309	10.2
96.95867	6.7
97.02812	6.8
97.06468	8.3
101.02297	13.9
109.06472	3.2
113.02327	8.2
116.75869	2.8
119.03362	4.8
123.04409	4.5
125.09592	9.8
131.31537	2.7
137.09605	4.4
149.05978	3.6
161.04449	5.6
163.07635	2.7
163.11165	9.7
165.12703	3.3
169.88399	2.6
171.10132	9.0
185.11725	9.3
191.14334	9.0
207.10207	5.3
209.11790	18.9
211.13351	8.3
231.84674	3.0
245.19003	16.7
253.09230	44.0
253.26439	3.0
257.54172	2.7
259.65656	2.6
263.20047	4.6
289.18076	100.0
290.18402	11.4
307.19110	90.4
308.19421	4.5
603.25616	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	603.302
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	2.7
57.03310	2.1
59.00958	2.7
59.01248	47.6
61.98690	3.8
65.86470	1.4
69.16818	15.8
71.01254	14.3
72.99144	2.0
73.02827	2.1
74.38280	1.5
78.95790	1.7
81.03361	2.8
83.01227	2.2
85.02821	3.5
89.02297	14.8
95.01271	2.3
96.95883	4.2
97.02828	3.4
97.06454	5.0
98.20579	3.4
101.02317	15.4
113.02322	5.1
117.08049	1.5
119.03378	3.8
119.08519	1.9
123.04400	4.0
123.08009	1.7
125.09599	5.0
127.87141	1.5
131.29428	1.6
137.09625	4.6
142.51360	1.7
152.91635	2.1
161.04439	6.0
162.54610	1.5
163.11156	8.4
171.10184	3.8
174.01604	2.3
179.05504	3.0
181.12181	1.8
185.11697	6.9
191.14325	7.6
193.71091	1.6
207.10168	3.4
208.63744	1.8
209.11737	22.6
210.12004	2.1
211.13338	3.4
225.11154	1.9
237.11237	4.2
245.19078	13.7
246.19418	2.9
252.70851	1.9
253.06726	3.5
253.09254	58.7
254.09515	3.5
263.20090	4.4
289.18085	96.8
290.18420	10.2
296.46262	1.7
307.19122	100.0
308.19412	8.5
388.15701	1.8
429.12610	1.8
523.32037	1.9
543.28125	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	603.2509
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42241	1.6
59.01253	19.9
60.68965	1.4
65.57896	1.8
68.94753	1.4
71.01260	28.5
71.49989	1.6
72.99195	2.5
73.02823	7.1
75.00774	2.7
83.01277	3.0
85.02823	10.9
87.00780	2.2
89.02311	9.5
99.00793	3.9
101.02327	24.1
112.34393	1.7
113.02335	11.6
119.03393	4.1
125.02382	1.8
135.72133	1.6
143.76118	1.7
154.76572	1.6
159.02896	3.6
161.04448	10.3
162.27548	1.4
235.11844	23.2
381.17645	26.0
543.22949	100.0
544.23267	14.0
571.18604	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.2506
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96380	2.1
56.59058	2.1
57.03332	2.7
59.01248	28.0
67.81956	2.3
71.01254	29.4
71.49551	2.5
71.49930	3.1
73.02818	10.4
83.01257	9.4
85.02827	15.7
87.00764	2.5
89.02323	14.5
95.01225	2.4
96.95911	2.1
99.00731	5.1
101.02319	26.2
109.02813	2.1
113.02324	12.1
119.03360	6.7
125.02390	2.2
127.03894	2.4
135.00708	2.2
143.03441	3.1
161.04480	10.7
179.05534	2.7
235.11864	30.4
381.17776	25.7
543.22900	100.0
544.22961	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	602.1515
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	5.7
61.98717	3.4
62.32387	1.4
69.19077	18.0
71.01275	2.2
89.02380	1.8
108.44090	1.6
109.02834	4.1
131.48405	1.7
133.02840	20.9
147.56050	1.8
149.02368	2.2
151.00262	3.2
161.02345	4.6
163.00278	5.4
175.03893	3.1
177.01886	2.3
183.69655	1.6
199.03979	3.3
201.01866	9.3
202.99812	6.9
219.02766	1.8
227.03328	1.9
233.04512	3.1
241.04950	2.0
245.00938	2.5
253.05014	4.1
255.03011	2.5
257.04498	10.2
269.04575	2.1
275.05582	4.7
284.03311	4.3
285.04028	73.1
286.04388	5.8
293.04471	2.6
296.52246	1.9
297.04059	54.8
298.04651	8.4
299.05600	7.1
301.03549	26.0
309.04034	4.5
311.05566	17.3
312.06012	2.3
327.05124	35.5
328.05383	4.4
337.03543	28.0
338.03915	5.4
339.05304	2.7
351.05286	4.1
367.08136	2.4
393.06320	4.6
411.07202	100.0
412.07523	10.9
473.10825	15.5
575.14130	19.0
576.13904	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.1514
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34612	1.0
54.44624	1.0
58.39205	1.3
69.01442	1.1
69.98358	5.4
93.03313	2.1
101.02197	1.1
112.85554	1.1
117.03370	6.6
119.04929	1.5
128.33467	1.1
129.02530	0.9
133.02847	1.0
135.04318	1.4
147.04393	1.7
151.03854	1.4
161.02377	3.4
163.03868	1.9
165.05467	1.7
175.03946	3.5
177.01743	1.4
177.05466	1.6
189.01779	1.8
191.03493	1.6
195.06602	1.7
199.47670	1.1
220.69437	1.2
228.94550	1.2
232.03487	1.1
248.00417	1.2
267.06427	1.2
268.07251	1.7
269.04556	2.3
281.04517	1.5
282.05322	6.1
283.06149	9.8
295.06143	10.1
296.06830	13.0
297.07660	18.4
298.08109	2.7
307.06046	4.7
309.07651	2.7
311.05576	8.7
312.05786	1.1
323.05493	8.3
324.06146	2.6
325.06982	9.1
328.05743	2.2
335.05646	1.4
337.07083	4.3
339.05087	2.3
351.05127	4.2
353.06631	52.1
354.06955	5.1
356.05045	2.0
365.06671	5.7
369.06003	9.0
379.08603	1.6
381.06003	2.8
383.07693	34.4
384.08176	3.2
395.07538	3.5
399.07278	5.5
413.08710	1.9
425.08713	2.2
455.09851	8.5
456.10269	1.7
467.09402	1.5
471.09381	3.5
472.09991	2.7
473.10800	42.4
474.11136	4.5
483.89154	1.4
489.10449	6.2
557.13013	3.7
575.14020	100.0
576.14270	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	602.1514
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01224	0.9
59.48615	0.4
60.56291	0.4
61.57303	0.4
61.98693	1.0
63.11960	0.5
70.84399	1.3
71.01242	1.1
75.00732	0.6
91.05411	0.6
93.03299	1.0
98.20395	0.5
101.02312	0.6
117.03325	4.5
119.04895	1.2
121.02842	0.6
122.03587	0.5
125.02233	0.5
135.04424	1.6
147.04436	0.8
149.02336	0.9
150.03078	1.5
151.00389	0.5
151.03819	0.6
153.23753	0.5
158.73782	0.5
159.04405	1.1
160.05238	0.6
161.02306	2.6
163.03931	1.2
166.02548	0.5
166.90240	0.4
173.05901	0.6
175.03920	1.4
175.07495	0.5
177.01933	0.5
177.05431	1.5
179.03412	1.1
181.04916	1.3
189.01788	0.9
191.03391	1.3
195.06654	0.6
197.05739	0.5
203.03398	1.6
205.04976	0.5
207.02950	2.8
213.02116	0.5
215.03505	0.7
219.02867	0.6
231.03146	0.7
237.03888	1.0
238.06253	0.5
239.07057	0.8
249.03815	1.0
253.04811	0.5
253.08542	0.6
267.06577	1.1
269.04449	0.7
281.04453	1.7
282.05405	2.8
283.06100	7.1
284.06375	0.7
293.04840	0.7
295.06088	6.7
296.06769	6.2
297.07651	16.7
298.07913	1.1
307.06055	3.2
308.03244	0.9
309.04297	0.7
309.07727	2.1
311.05585	8.9
312.06055	1.0
314.04169	0.8
321.04034	0.6
322.04849	1.2
323.05582	7.2
324.06161	1.4
325.07120	8.3
328.05960	2.7
335.05582	1.7
337.07065	3.2
339.05249	2.4
340.05444	0.7
341.06699	2.7
351.05096	4.6
352.05576	0.7
353.06647	41.0
354.06952	4.1
355.07599	0.7
356.05127	1.4
363.05029	1.0
365.06583	3.5
366.06848	0.7
367.04202	0.9
367.08463	0.8
369.06131	14.5
370.06546	2.3
381.06155	3.0
383.07675	23.8
384.07947	2.1
395.07587	2.7
399.07169	9.4
400.07388	0.7
411.07217	1.0
413.08649	1.2
425.08817	1.0
431.09628	1.4
434.74142	0.5
454.68536	0.5
455.09833	4.4
471.09311	1.3
472.10721	0.7
473.10849	18.3
474.04974	0.6
474.10934	2.4
476.09436	0.7
487.08521	1.1
488.09042	0.6
489.10370	8.6
490.10147	1.2
557.13080	1.6
575.14020	100.0
576.14349	14.8
602.15009	11.4
603.15564	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	602.1519
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01739	0.8
57.03317	2.5
58.00447	1.5
59.00957	1.5
59.01249	28.6
60.53879	0.7
61.98700	6.1
63.43071	0.7
63.94470	0.8
66.27689	0.8
70.98835	2.0
71.01257	11.0
72.99176	2.1
73.02802	3.6
73.29688	0.7
74.39751	0.7
79.95585	0.9
80.96407	1.2
85.02824	4.9
85.07870	0.8
89.02331	6.5
95.92603	0.8
96.96908	0.9
101.02334	4.4
103.03899	1.4
107.01273	0.8
109.02809	1.4
113.02319	2.8
119.03420	1.9
122.06007	0.7
125.02330	0.9
126.44054	0.7
128.03410	1.3
131.01256	1.5
133.02840	14.5
135.04417	1.8
151.00302	1.0
160.03854	1.3
161.02332	2.0
163.00259	5.7
173.02364	0.8
175.00261	2.7
175.03909	1.5
177.01903	1.8
180.85529	0.8
193.18919	0.8
199.03880	2.1
201.01883	2.2
202.99841	3.6
209.06352	0.8
215.53383	0.8
225.05484	1.1
241.04938	1.0
251.03467	1.0
253.04997	1.7
255.03152	1.2
265.05087	1.0
267.03030	0.8
269.04532	2.1
277.05069	2.8
281.04504	1.1
284.03177	1.8
285.04025	22.0
286.04349	1.7
293.04364	1.1
297.04037	28.6
298.04807	28.7
299.05481	7.0
307.05795	1.1
309.04037	42.2
310.04468	3.7
311.05597	15.9
312.06049	1.6
323.05585	1.2
324.02621	1.6
325.03528	8.1
325.06967	1.6
326.03906	1.5
327.05090	14.3
328.05673	1.0
330.03769	3.1
336.99567	1.7
337.03546	28.8
338.03940	3.9
339.04941	5.6
351.04901	1.2
355.04532	1.0
357.06107	2.2
367.04440	3.1
367.08469	1.8
369.06189	3.8
383.07846	1.5
393.05957	2.9
399.06992	1.0
411.07211	56.5
412.07590	6.2
429.08191	1.8
429.24341	0.9
471.09180	1.8
473.10916	17.9
474.11237	2.1
512.72314	0.8
531.12073	1.3
535.68610	0.8
543.20886	1.1
557.13263	0.9
557.30402	1.2
568.02161	0.8
575.14056	100.0
576.14325	15.0
581.52417	0.9
601.32190	0.8
602.14807	5.1
602.23328	0.8
603.15131	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	602.1517
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	1.7
59.01249	16.3
61.98700	10.9
71.01253	9.7
71.50511	1.0
71.50905	1.3
72.99174	1.6
73.02818	3.4
83.01239	1.7
84.65053	1.0
85.02811	4.4
87.00772	1.5
89.02322	4.2
95.01283	1.3
96.95872	1.1
101.02312	6.2
106.41039	1.1
107.01232	1.0
109.02850	1.5
113.02342	4.0
115.00233	1.7
117.03316	1.5
119.03410	2.7
119.04867	1.3
121.02844	1.4
125.02382	1.2
131.01309	1.2
133.02841	16.3
134.03658	2.7
135.04413	1.1
137.02261	1.3
150.03098	1.4
151.00266	1.5
153.58243	1.0
161.02350	3.5
161.04457	1.3
163.00294	7.3
163.03851	1.7
165.01819	2.2
173.02242	0.9
175.00293	2.8
175.02498	2.0
175.03934	2.3
177.01852	2.2
179.05510	2.1
193.01355	1.3
195.06526	1.7
199.03897	2.2
201.01825	2.8
202.99800	2.0
211.04050	1.5
217.05031	1.5
225.05544	3.9
227.03526	1.9
229.04893	1.3
237.05621	1.7
240.04253	1.3
241.05083	2.4
253.05086	3.8
255.03012	2.0
265.05258	1.8
269.04456	5.7
270.05347	2.5
280.03632	1.7
283.05734	1.4
284.03250	3.5
285.04034	27.6
286.04214	2.3
295.05914	1.4
297.04053	51.2
298.04803	100.0
299.05347	14.7
309.04059	29.7
309.07651	0.7
310.04465	3.9
311.02124	2.0
311.05545	17.7
312.06067	2.3
321.04187	2.1
323.05554	2.1
324.02835	1.6
325.03568	16.0
326.04260	4.7
327.05075	34.4
328.05350	2.0
330.03674	4.8
337.03537	28.3
338.03903	3.8
339.05157	6.6
341.06696	1.9
351.05310	2.6
353.06570	2.8
355.04410	2.2
356.32190	1.2
357.06244	3.0
365.06537	1.8
366.03629	1.3
367.04294	4.8
369.06039	2.8
383.07822	1.8
385.05505	2.0
393.06006	3.2
399.06757	1.8
411.07205	59.6
412.07681	6.1
429.08255	3.0
473.10861	47.8
474.10883	5.2
489.10217	4.0
526.17487	1.1
557.13092	1.6
575.14056	96.9
576.14471	14.2
602.15125	60.3
603.14990	8.8
603.23376	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.1515
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01237	3.4
61.98694	4.2
69.66959	4.6
69.67365	2.1
71.01247	2.6
73.02808	1.6
78.59939	0.9
79.95594	1.3
80.96383	3.1
85.02810	3.6
89.02292	2.4
89.15614	0.9
90.16792	1.1
93.03331	1.8
96.25844	1.0
98.19843	2.0
101.02325	1.5
113.02390	1.3
117.03366	8.1
119.04907	1.8
133.02840	1.1
135.04416	3.7
145.02882	1.6
147.04201	1.1
149.02235	2.0
149.05946	1.3
161.02394	6.5
163.03897	2.9
165.01843	2.4
165.05554	2.2
175.03905	2.4
177.01854	1.6
177.05486	2.6
179.03372	0.9
180.04179	1.5
189.01820	3.8
189.05540	1.3
191.03358	2.7
195.68559	1.1
203.03442	3.4
205.01390	1.3
205.05002	1.7
213.01718	1.2
227.12936	2.2
238.06212	1.2
250.06299	1.1
251.07341	1.7
263.19092	1.1
267.06662	2.5
268.07166	1.6
281.04614	1.5
282.05276	3.2
283.06122	9.5
295.06097	14.7
296.06870	5.4
297.07666	24.6
298.08136	2.4
307.06110	6.0
309.07611	1.7
311.05609	16.3
322.04810	1.4
323.05612	13.0
324.06274	2.9
325.07153	12.9
328.05908	3.0
335.05643	2.6
337.07138	3.8
339.05069	4.6
340.05289	1.5
349.07214	1.5
351.05084	14.3
352.05560	1.7
353.06650	57.2
354.07144	4.8
356.05347	3.8
363.05182	1.5
365.06595	4.4
366.07574	1.2
369.06146	11.5
370.06381	1.7
381.06073	3.2
383.07739	11.7
384.07898	1.6
393.06104	1.2
395.07742	1.7
409.09320	1.7
413.08728	1.5
437.08698	3.5
455.09561	7.0
471.09213	5.2
473.11041	13.9
474.11563	1.8
482.11069	1.4
485.10687	1.5
489.10345	4.6
501.10245	1.6
503.11810	1.4
520.20013	1.2
557.12872	4.2
575.14056	100.0
576.14478	14.6
584.03229	1.2
601.25745	1.5
602.15112	83.5
603.15350	13.4
603.26733	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.4126
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01260	1.3
59.60371	0.7
66.28801	0.7
70.47398	2.2
70.47762	0.8
78.95757	2.5
97.06469	0.9
108.40431	0.7
111.08025	0.9
113.09616	1.5
115.07495	1.3
123.07127	0.7
130.56781	0.7
141.09061	0.7
151.11220	0.9
152.99419	1.0
165.12764	3.8
166.84914	0.7
167.14240	1.1
175.11253	0.7
181.12227	3.0
183.13962	0.7
193.12192	0.8
195.13802	1.9
195.25789	0.7
197.11716	0.9
211.13287	2.3
221.15466	1.3
226.87030	0.8
240.13556	1.1
247.20686	5.0
263.20184	1.0
273.18661	1.8
281.21155	0.9
283.26242	0.8
291.16324	1.6
291.19656	43.7
292.19965	5.1
309.20694	100.0
310.21033	10.1
475.34116	2.2
583.39972	9.3
584.40472	2.0
601.32574	3.6
601.41022	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	601.4108
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03299	1.8
59.01254	3.7
69.25697	3.8
69.26094	12.8
80.02576	1.6
90.33081	1.4
94.17288	1.6
95.04894	2.1
97.02808	4.2
106.18380	1.4
109.06483	2.2
113.06001	1.8
123.04404	2.7
125.09630	8.6
131.98943	1.7
135.08020	1.8
137.09608	4.0
141.05428	2.8
153.09085	11.1
163.11192	6.0
165.12753	2.5
171.10146	12.9
177.12790	2.0
185.11752	7.1
191.14351	11.4
195.13843	6.5
197.11720	2.7
207.10139	2.6
209.11780	6.1
217.15898	2.6
223.13329	6.6
225.11263	3.3
245.19077	19.7
246.19502	2.9
256.13199	2.4
271.16934	2.3
289.18097	82.5
290.18365	8.2
291.19507	11.5
292.19998	1.7
293.21198	53.7
294.21719	4.0
307.19128	100.0
308.19577	9.6
308.22568	1.5
309.20688	21.6
310.20993	2.4
325.20154	26.9
326.20618	2.4
565.39148	2.8
583.40045	7.5
601.40973	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	601.3593
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11751	0.9
59.01252	16.6
70.79404	1.2
70.79719	1.3
71.01244	3.0
89.02312	2.5
90.28357	0.8
95.89216	0.9
101.02322	3.8
113.02299	1.4
118.77119	0.8
119.03360	1.3
122.53717	0.8
135.04396	3.4
162.42424	1.0
179.03377	2.7
184.34000	0.8
217.70193	0.8
235.08180	2.2
253.09286	16.8
305.24854	100.0
306.25150	9.6
333.37076	0.9
338.47659	0.9
583.39734	1.5
629.06659	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.4127
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03324	1.0
58.73015	0.6
59.01242	1.0
69.03329	0.6
78.95776	1.8
86.98047	0.8
87.03875	0.7
90.13786	0.7
91.34291	0.6
97.02830	0.8
111.08041	0.8
123.08086	1.0
125.09605	2.2
137.09630	0.8
152.99472	0.9
154.04060	0.7
163.11153	2.6
163.49773	0.6
165.12723	6.3
166.49182	0.7
167.14304	0.8
171.10234	0.7
177.98659	0.7
179.14159	1.1
181.12192	2.4
193.15875	1.7
195.13808	1.2
209.11806	1.2
217.16016	1.0
223.13280	1.6
247.20578	7.6
273.18594	2.7
284.26767	1.3
291.19635	68.2
292.20001	5.8
309.20676	100.0
310.21085	8.7
457.33087	1.0
475.33969	1.4
539.40546	0.8
583.39893	6.1
584.40039	0.9
601.32343	3.6
601.41357	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	601.3231
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80990	1.3
51.32539	1.3
57.03308	2.1
58.00466	3.0
59.00957	2.5
59.01249	46.2
61.98694	1.5
69.03323	2.6
70.69099	2.8
70.69472	2.9
71.01252	57.3
72.01586	1.8
72.99175	3.1
73.02821	10.3
77.86790	1.7
83.01262	13.3
85.02822	15.1
86.34469	1.5
87.00748	65.2
89.02316	44.7
89.02842	3.0
95.01253	5.3
97.02853	2.0
99.00742	2.5
101.02322	31.7
111.00745	2.4
113.02335	36.2
115.03893	2.1
115.97125	1.5
119.03404	12.9
129.01871	2.6
131.03337	3.1
141.01830	4.2
143.03389	10.0
161.04459	16.3
176.54839	1.6
179.05518	20.9
181.99852	1.4
225.24632	1.5
273.22266	4.8
277.21710	100.0
278.22012	10.2
291.23285	28.9
292.23596	4.6
301.21735	2.3
319.22714	10.4
323.09766	19.6
328.73050	1.4
341.10852	56.3
342.11295	4.2
349.24084	2.1
435.76114	2.0
442.80664	1.6
546.58197	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	601.3224
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	0.6
57.03330	2.0
58.00463	4.0
59.01247	56.8
60.01573	0.9
69.03309	0.4
70.06715	1.0
70.07126	0.9
71.01248	54.9
72.01598	0.8
72.99177	4.0
73.02814	2.8
75.00734	1.0
76.66813	0.4
78.95764	1.0
83.01251	5.9
83.04913	0.6
85.02814	9.4
86.03197	0.4
87.00744	16.7
89.02311	61.6
90.02682	1.1
95.01250	3.7
97.02840	1.2
99.00761	1.4
101.02316	30.1
102.02636	0.6
107.03366	0.5
111.00732	0.5
113.02323	27.2
114.02650	0.9
115.03860	0.7
117.01849	0.7
119.03382	23.3
125.02316	1.2
129.01820	0.9
131.03401	3.6
133.46042	0.3
135.08047	0.4
141.01868	1.4
143.03394	9.4
149.04453	2.3
160.06285	0.4
161.04454	9.7
171.10039	0.5
179.05521	22.7
180.05849	1.2
259.20682	0.5
273.22293	0.8
275.20062	0.4
277.21698	100.0
278.22064	9.5
281.09406	0.4
291.23288	6.7
292.23712	0.9
301.21674	1.0
319.22714	4.2
320.22906	0.5
321.62140	0.5
323.09805	13.0
324.10284	1.0
341.10846	42.3
342.11102	2.6
349.23724	0.6
373.23853	0.5
601.32220	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	600.2958
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02837	16.0
59.01254	5.9
61.98690	8.4
71.52561	5.9
74.02351	34.2
86.02347	10.9
87.05533	6.3
91.50829	4.2
97.03950	4.4
99.05518	19.4
101.07054	5.1
103.76788	3.9
109.04001	6.5
127.05046	5.0
128.03419	77.7
129.03781	3.9
135.05577	7.6
143.04527	100.0
146.04463	11.5
153.06595	7.7
166.09839	6.2
179.04543	32.5
197.05519	6.4
210.08777	21.4
254.07813	54.1
267.67502	4.9
272.08865	87.4
286.59445	4.3
293.21112	6.4
299.23105	4.6
311.22015	4.7
327.20001	13.9
471.25201	12.7
472.12238	4.8
500.25259	5.1
582.28473	14.1
600.20721	8.2
600.29669	97.9
601.29828	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	601.2293
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09777	0.8
51.68375	0.9
59.01254	1.4
66.50279	1.0
93.03312	4.8
95.04898	1.2
105.03340	4.0
121.02848	6.2
122.03630	10.1
133.02835	3.1
135.04402	1.3
136.01591	1.9
137.02335	2.2
146.03606	2.9
146.22736	1.1
147.04367	2.1
148.01675	1.1
149.02350	32.5
150.03131	67.9
151.03929	9.6
153.05449	3.1
160.05212	1.1
161.02359	32.0
162.02940	3.4
164.04695	12.7
165.01836	3.2
165.05487	72.4
166.02702	1.9
166.05852	2.4
175.03912	2.5
176.04712	20.1
177.01820	2.4
177.05336	1.0
179.03427	60.0
179.06888	4.9
180.04161	8.7
181.04956	5.6
191.07088	6.8
192.04199	1.6
194.02040	1.1
194.03979	2.0
194.05786	50.7
195.06558	72.6
196.06914	4.0
207.06537	1.4
209.08138	100.0
210.08513	7.2
218.74025	1.3
225.07515	2.0
269.08240	2.0
284.17258	1.2
313.10806	3.2
328.09338	1.0
329.10150	1.3
343.11856	38.7
344.12213	4.4
350.56589	1.2
357.13452	4.0
369.06049	2.0
391.14075	5.2
466.43454	1.0
489.10803	2.4
553.20734	15.0
554.21228	4.0
575.14172	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	599.3197
Annotation	lysophosphatidylmyoinositol
Peak:m/z	Relative Intensity
53.31401	0.6
68.71413	0.6
71.09005	1.6
78.95770	64.9
93.57887	0.7
96.96839	12.9
134.98418	0.9
138.48399	0.6
150.97867	1.1
152.99484	56.4
153.99835	1.4
172.75082	0.6
223.00078	1.7
241.01147	29.2
242.01353	1.4
283.26395	68.3
284.26770	9.3
291.19742	1.0
309.20718	0.7
315.04813	9.8
419.25671	5.0
420.26172	0.9
599.31995	100.0
600.32281	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	599.395
Annotation	Unknow
Peak:m/z	Relative Intensity
59.41268	9.7
61.96434	9.6
61.98700	28.5
62.63771	8.2
69.19394	100.0
96.95867	10.8
100.05876	9.1
119.04943	25.0
124.83597	10.9
140.69267	10.8
162.92438	8.6
174.01682	12.1
179.22743	10.3
209.11707	25.9
289.18073	29.6
291.19797	18.5
307.19235	13.3
540.33167	10.1
575.08527	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	600.2085
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01243	2.1
61.98700	100.0
63.80310	0.4
70.95953	0.4
71.50565	0.4
85.44622	0.4
105.40575	0.4
149.02304	0.6
150.03085	1.0
165.05429	0.8
302.89185	0.4
404.18134	0.7
406.31458	0.5
487.08978	0.6
541.73254	0.5
596.75049	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.239
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49471	0.6
52.37150	0.7
57.97440	0.8
58.02840	3.8
59.01247	5.6
61.98699	100.0
66.03346	0.8
71.01260	2.8
73.02822	1.2
74.02339	8.1
80.03668	0.6
82.02856	1.5
85.02825	1.0
86.02338	4.2
87.05521	1.5
89.02323	2.4
96.99812	2.3
97.03922	0.8
99.05515	8.9
101.02335	1.6
101.07108	1.6
102.05511	1.3
109.03934	1.4
110.00621	1.3
113.02310	0.6
122.03592	0.8
123.05618	0.8
125.03470	1.1
127.05048	1.4
128.03424	21.3
133.02873	0.7
135.05527	2.1
141.06598	1.3
143.04523	26.8
145.06035	1.2
146.04510	2.9
149.02338	1.8
150.03130	5.1
153.06618	1.4
155.08218	0.7
161.02379	0.8
164.04646	1.2
165.05461	3.9
166.09787	1.5
167.04575	1.2
167.08202	1.4
175.02408	0.8
176.07033	1.4
179.03448	0.7
179.04550	6.8
179.07079	2.6
185.05659	0.8
192.07748	1.0
194.05806	0.8
194.10011	1.6
195.06552	2.4
209.08128	1.8
210.08772	6.9
222.09538	3.0
237.07634	1.2
240.10609	5.7
248.95305	0.7
254.05179	1.0
254.07794	15.2
254.10364	1.1
255.08134	0.8
272.08875	26.8
273.09299	1.1
274.63333	0.7
297.04114	0.7
308.13309	2.3
326.14325	7.5
327.05359	0.8
339.05148	1.2
369.06091	0.9
458.11279	0.9
470.19843	6.6
471.09390	0.9
471.20129	1.3
487.08755	1.5
493.15112	0.7
514.09851	1.1
547.87909	0.9
551.18927	1.1
555.11652	1.0
567.00085	0.7
573.13049	0.8
581.22839	5.5
582.22412	0.9
599.23877	36.2
600.24017	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	599.1169
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38343	1.4
59.01244	4.8
61.98695	3.1
70.99586	1.3
71.01257	3.7
71.50180	1.7
71.50581	1.5
73.02826	2.0
75.00741	1.4
77.48617	1.1
79.27208	1.6
82.15398	1.4
85.02773	1.5
87.00742	1.8
89.02326	2.2
96.95911	1.8
101.02354	3.0
109.02821	1.8
115.86017	1.4
119.03403	1.4
126.01596	1.2
133.02861	5.0
135.04478	2.1
163.03828	1.7
175.03847	1.7
177.01732	1.9
177.05345	1.2
179.05551	1.7
250.65210	1.3
285.04099	1.5
296.56876	1.4
297.04065	2.7
298.04773	4.5
299.05515	4.3
310.04776	1.8
311.05643	7.1
312.06393	7.1
313.06992	7.4
325.07263	2.0
327.05084	4.3
339.05035	9.0
341.06619	4.9
353.06735	3.7
357.06271	1.3
363.27808	1.5
369.06134	33.0
370.06412	4.3
381.06021	3.8
382.06119	1.6
399.02048	1.8
399.07172	31.6
400.07428	3.6
408.53561	1.3
411.07208	3.6
422.10971	4.5
423.07849	1.3
429.08173	5.3
441.08102	5.6
459.09320	13.3
473.10864	6.7
520.18298	1.5
545.12982	3.0
563.14008	100.0
564.14362	21.0
600.13916	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	598.3086
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03317	0.2
59.01254	1.2
61.98703	100.0
62.98390	0.3
63.42501	0.2
66.22455	0.1
71.01258	0.8
71.50867	0.3
73.02828	0.3
74.02336	0.2
75.00742	0.2
80.96368	0.2
85.02843	0.6
85.46951	0.2
87.00774	0.2
89.02321	0.4
89.62707	0.2
95.00192	0.2
96.95884	0.2
96.96820	0.2
99.00742	0.2
101.02325	0.4
113.02350	0.3
119.03435	0.2
121.02923	0.2
128.03496	0.2
143.04539	0.4
150.03137	0.3
165.05504	0.2
166.02621	0.2
179.05571	0.5
179.07140	0.2
181.05188	0.2
254.07823	0.3
272.08859	0.4
375.27594	0.3
376.27676	0.4
377.18542	0.2
437.29169	0.3
531.27051	0.3
598.22235	0.2
599.24414	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.2805
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84581	0.7
58.02839	7.8
59.01255	4.8
61.98692	2.7
71.01227	1.1
71.30132	1.7
72.00758	1.6
74.02339	13.2
76.42426	0.8
81.04446	1.0
82.02831	1.9
85.71126	0.9
86.02356	5.8
86.05988	1.6
87.05510	3.6
90.00061	1.1
90.68026	0.7
97.03943	1.2
99.05515	12.4
101.07071	2.2
102.05489	2.3
107.05959	0.8
109.03956	2.1
110.14152	0.7
111.05569	1.7
112.03901	1.7
116.01644	1.3
120.01058	0.7
123.05528	1.7
124.03912	1.1
125.03445	1.2
127.05033	3.6
128.03423	37.8
129.03760	1.2
135.05516	2.9
137.07100	0.9
141.06642	4.2
143.04520	47.0
144.04855	1.6
145.06070	1.4
146.04474	5.3
153.06580	3.3
160.00653	13.8
161.01053	0.9
166.09740	2.8
167.04506	3.6
167.08130	1.3
170.03194	1.0
171.04097	0.9
171.07582	1.0
171.10205	1.3
177.03284	6.1
179.04520	10.5
181.06236	0.9
184.10829	1.1
185.05589	0.8
192.07716	0.9
197.05582	1.8
210.08772	8.8
254.07793	16.4
255.08128	1.1
272.08871	27.1
273.09158	1.9
288.06586	8.6
306.07632	100.0
307.07892	4.8
474.40155	0.8
598.27814	5.6
599.27655	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	598.2804
Annotation	Unknow
Peak:m/z	Relative Intensity
54.78187	0.9
58.02841	14.4
58.07468	0.7
58.33283	0.8
59.01256	4.0
61.98691	2.9
66.03362	2.0
67.96725	0.7
68.38392	0.9
70.02888	0.8
71.01266	2.3
71.29711	1.4
72.00786	1.4
72.18255	0.7
72.97390	2.3
74.00561	1.8
74.02341	26.4
76.09949	0.8
80.96384	0.9
81.04423	1.8
82.02856	3.8
84.04375	1.1
85.02815	1.0
85.03925	1.3
86.02345	11.5
86.06001	1.9
87.05518	5.1
89.02328	0.9
96.04395	1.0
97.03955	3.0
99.00761	1.0
99.05514	23.6
100.00295	2.7
101.07086	4.6
102.05486	4.8
107.06020	1.6
109.03944	6.4
109.07597	1.5
110.06085	1.0
111.05534	2.2
112.03924	2.7
112.31094	0.8
113.04183	1.1
116.10883	0.8
123.05517	2.8
124.03942	1.8
124.07561	1.5
125.03442	2.8
126.01864	0.8
127.05023	3.7
128.03424	68.7
129.03737	1.3
135.05540	7.1
137.07082	1.3
141.06665	2.6
143.04524	88.9
144.04895	2.6
145.06061	3.9
146.04495	10.2
149.07057	1.0
153.06589	4.4
155.08125	1.4
166.09718	3.3
167.04539	3.7
167.08191	5.1
169.06099	1.5
170.03241	1.8
171.04080	1.2
171.10197	3.1
179.04561	22.4
180.05063	1.2
181.06039	1.1
184.10812	1.4
185.05569	2.4
192.07741	2.3
196.07521	0.8
197.05566	3.7
209.11745	1.8
210.08775	21.3
223.92455	0.8
228.09834	2.0
236.06714	1.2
254.07785	51.3
255.08124	2.7
256.11459	2.4
272.08871	100.0
273.09180	4.6
291.19653	2.9
304.06119	1.4
306.07703	1.2
325.18304	6.1
455.16336	0.9
469.23770	3.9
580.26636	4.6
597.15051	1.0
598.27985	31.8
599.28253	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	598.1929
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47453	0.4
54.88115	0.4
59.01260	2.4
61.98702	100.0
71.52628	0.8
73.24861	0.4
92.43923	0.5
252.92966	0.5
257.90210	0.5
338.76465	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.2717
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42398	0.3
59.01247	3.0
61.98700	100.0
66.10053	0.3
70.52293	0.8
70.52688	0.7
71.01257	1.0
85.02823	0.6
89.02290	0.6
96.95939	0.4
98.20383	0.4
99.00729	0.3
101.02354	0.4
109.07561	0.4
113.02380	0.5
150.03188	0.4
151.00258	0.6
151.03957	0.4
152.00731	0.5
165.05489	0.4
166.02606	2.6
167.03165	1.1
168.03853	0.5
179.05466	0.3
181.04944	2.2
182.05312	1.1
182.34758	0.4
201.11354	1.0
388.11252	0.8
406.15988	0.5
410.06015	0.4
417.15839	1.2
418.15900	4.3
419.15964	0.6
537.27881	0.7
538.29004	1.5
548.83234	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.2801
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96438	1.1
55.97486	1.1
57.77224	1.4
58.02848	12.2
59.01251	10.7
61.98694	5.3
64.33338	1.3
69.66142	7.7
70.02886	1.4
70.55556	1.2
71.01251	4.3
72.00773	1.2
74.02341	21.8
82.02857	2.9
85.02835	2.5
86.02340	12.9
87.00794	1.5
87.05516	4.6
96.04404	1.9
96.95880	1.9
97.03945	5.3
98.20453	2.5
99.00769	1.5
99.05518	19.6
100.00297	3.0
101.02322	2.6
101.07100	2.3
102.00049	1.3
102.05508	5.8
105.99593	2.1
107.06018	2.2
109.03994	2.5
109.07545	1.6
111.05495	2.2
112.03866	1.6
113.02325	1.5
113.03484	1.4
125.03482	3.2
127.05052	3.9
128.03416	68.4
129.03772	1.5
135.05534	5.4
141.06659	1.8
143.04518	85.8
144.04892	1.8
145.06070	3.1
146.04488	8.5
153.06584	3.7
166.09801	4.1
167.04538	2.6
167.08147	3.9
170.03305	1.4
171.04024	2.7
179.04518	20.8
181.06093	3.2
185.05560	2.8
192.07689	1.4
197.05516	3.0
203.04936	1.4
209.11708	1.9
210.08798	19.0
215.10999	1.9
228.09813	2.0
245.56331	1.2
253.09190	1.5
254.07787	47.2
255.08208	2.7
272.08862	100.0
273.09198	5.4
275.16519	1.5
286.04977	1.6
291.19724	7.1
293.21384	4.2
303.15955	10.1
304.06104	4.3
325.18399	9.3
469.23752	3.8
539.23981	1.3
580.27112	4.4
598.28082	29.7
599.29041	7.5
615.79926	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	597.3871
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98705	0.5
55.86628	0.4
57.03326	0.5
59.01253	5.2
61.98704	11.6
62.55833	0.4
71.01258	4.0
71.50454	0.6
72.99182	0.7
73.02827	1.1
75.00732	1.1
81.03329	13.5
82.03686	0.5
83.04897	42.9
84.05244	0.8
85.02821	1.5
87.00747	0.7
88.98673	1.0
89.02319	1.9
96.84406	0.5
96.95889	1.3
100.07565	5.2
101.02332	2.2
102.54765	0.4
113.02339	1.5
114.72146	0.6
117.52618	0.5
119.03404	0.7
125.02289	0.8
126.05489	1.0
131.44202	0.5
138.05547	0.4
161.04408	1.0
175.02481	0.6
179.05487	2.1
199.13316	6.2
199.18108	7.4
207.14865	0.6
213.09195	0.7
223.06203	0.6
224.17648	0.5
225.16026	8.4
243.17117	21.0
244.17484	1.1
269.15051	1.3
309.21790	0.7
353.20743	6.3
353.24600	0.6
354.20996	0.9
375.27682	0.7
397.13559	2.1
415.14642	0.7
425.34628	0.5
435.25870	1.7
451.32870	2.1
452.33200	0.5
469.27301	0.6
469.33981	12.7
470.34232	1.7
493.30069	0.6
579.37463	2.9
597.38708	100.0
598.38965	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	597.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	48.0
71.50280	3.9
87.79977	2.0
90.45531	2.2
120.50255	2.0
122.03626	3.3
146.03650	5.7
149.02318	7.2
150.03125	35.2
161.05939	3.4
164.04706	6.1
165.05492	49.5
166.05811	2.6
179.07037	22.4
180.04117	2.7
180.07396	2.2
185.65088	2.2
195.06549	100.0
196.06863	6.5
312.10071	2.1
327.12289	15.3
334.37076	2.1
345.28036	2.0
358.67230	2.1
375.14487	14.8
376.14594	2.3
456.07651	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	597.2189
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90822	1.5
59.00956	3.0
59.01250	54.1
70.99597	4.3
84.57602	1.7
85.25500	1.6
93.03345	1.5
109.28417	1.6
121.02843	4.4
122.03629	3.5
133.10419	1.6
143.63850	1.8
146.03659	9.8
149.02339	38.9
150.03134	34.4
151.03595	2.0
164.04660	15.9
165.05493	50.2
166.05817	3.5
179.07063	15.3
180.04144	3.5
195.06577	48.7
240.33171	1.9
283.09436	2.8
312.09998	19.1
327.12366	100.0
328.12793	9.5
375.14557	21.1
376.14774	4.3
430.23401	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	597.3276
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33270	0.8
51.28848	0.8
59.01242	1.9
61.98691	3.2
69.66586	3.5
69.66996	1.8
72.99178	1.8
78.46353	0.8
79.61170	0.8
80.96384	1.7
82.66985	0.7
83.01255	1.6
87.30703	0.9
89.06705	1.0
89.30151	0.9
90.71807	0.8
92.37601	0.9
94.87469	0.9
99.00742	2.2
113.99465	4.1
117.01788	1.7
126.33189	0.8
135.86957	1.0
144.09013	0.9
156.00401	0.9
174.01616	100.0
175.02005	4.8
211.13345	4.0
393.32443	1.1
479.30429	1.4
497.31491	1.0
501.29868	1.0
537.30176	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	597.3278
Annotation	Unknow
Peak:m/z	Relative Intensity
59.71286	2.0
67.19169	2.0
76.56258	1.8
83.01252	2.3
86.14806	2.0
110.38048	2.1
113.99490	3.4
117.01851	3.1
170.60692	2.0
174.01611	100.0
175.02089	3.9
203.77254	1.8
266.64624	1.9
328.91766	1.9
434.10608	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	597.1822
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01243	5.1
61.98708	1.1
71.01254	3.7
71.50505	0.9
71.50860	0.9
73.93778	0.9
75.00742	1.2
75.99776	0.9
80.63159	0.9
81.03339	2.0
83.04887	2.6
85.02822	1.1
87.00734	1.4
89.02303	1.5
93.03356	1.3
95.88092	0.9
101.02330	2.1
107.04903	43.2
108.05234	1.4
117.81696	0.8
119.04906	1.1
121.02837	22.1
122.03625	28.3
122.04462	1.9
123.03963	1.4
124.01556	2.0
125.02319	1.7
135.04431	1.6
137.02383	5.4
139.01929	1.0
147.04460	1.2
149.02251	1.0
150.03107	6.3
150.29889	1.0
151.02594	1.0
151.03912	2.2
154.02614	4.1
165.01837	1.3
167.03323	1.2
182.02139	5.9
189.01970	1.0
209.04483	1.8
209.06175	1.7
211.07721	2.0
219.02722	1.2
223.05936	0.9
227.07198	3.1
228.07527	1.4
229.08650	94.3
230.08940	6.6
239.05508	1.6
241.08759	1.2
255.06650	4.4
269.08130	1.1
272.06909	2.0
273.07669	41.8
274.08044	2.2
315.08850	3.2
389.13019	0.9
409.53122	1.0
419.12332	1.2
435.12946	49.9
436.13193	4.4
459.08615	1.0
476.22672	1.1
477.19562	1.0
547.14484	4.3
580.14215	1.1
596.40723	5.6
597.18262	100.0
597.40045	2.8
598.18652	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	597.1827
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	6.3
66.19645	2.9
69.51132	10.5
69.51556	12.0
71.01255	12.6
73.02824	4.8
87.00359	2.5
87.00768	23.6
99.00713	5.2
111.00764	15.2
121.02875	8.0
122.03602	14.0
123.00759	7.0
133.02788	4.3
135.04407	4.7
149.02353	29.9
150.03125	100.0
151.03793	5.6
163.03976	4.9
164.04665	13.0
165.05482	92.3
166.02646	3.8
166.05818	4.2
167.98798	3.4
173.00793	7.5
174.01645	3.8
176.04655	4.1
179.03389	8.2
179.06976	7.4
180.04153	6.4
181.04976	9.2
191.03416	4.6
194.05734	6.5
195.06546	47.6
205.04869	3.8
206.05905	3.4
209.08121	10.2
221.08011	4.7
233.30316	3.1
234.05273	2.9
249.07774	5.5
258.93472	3.1
262.04800	5.0
265.06955	4.0
276.06348	5.5
277.07129	10.2
337.09277	36.0
338.09464	4.4
369.13345	7.6
413.12555	3.9
461.14587	41.5
462.14676	5.2
533.16687	5.7
579.16803	19.7
597.18292	93.0
598.18463	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	597.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
56.15476	1.8
57.03317	4.5
59.01249	20.6
61.98700	44.7
69.03310	7.7
71.01242	13.1
71.50893	2.2
72.99165	2.3
73.02807	4.2
75.00731	6.1
81.03326	6.9
82.25512	1.6
83.01250	7.3
85.02814	11.0
87.00779	4.6
89.02317	3.5
93.03336	5.2
93.23640	1.5
94.38322	1.6
95.01257	7.6
95.04895	3.0
96.95889	3.1
97.02824	12.4
99.00760	3.8
99.04337	3.2
101.02309	9.8
105.03313	1.6
107.04859	2.9
108.02034	2.6
109.02842	12.6
111.00758	8.6
111.04388	4.4
113.02309	5.5
119.04903	2.5
121.02845	5.7
122.03659	2.1
123.04414	8.9
124.01530	3.6
125.02325	19.6
127.03947	2.2
129.01767	3.1
131.89342	1.7
135.00812	3.0
135.04366	5.2
137.02332	17.1
137.05917	3.2
138.03137	2.0
139.00301	3.8
139.03888	8.1
140.01038	2.3
141.01804	7.2
142.84718	2.1
147.04362	3.4
149.02342	5.1
149.05933	5.7
150.03156	4.3
151.03905	8.2
153.01849	21.5
153.05437	2.0
153.79378	1.8
154.02629	8.5
163.00241	1.9
163.03860	4.7
165.01820	7.8
165.05460	5.4
166.02646	4.1
167.03432	18.5
168.00558	2.0
173.06000	17.8
177.01790	4.5
177.05482	2.3
178.02611	2.2
179.03397	12.1
179.04826	1.4
179.05388	1.6
180.00642	1.9
181.01334	27.2
181.04927	3.6
182.02122	18.9
183.02831	8.7
190.02672	1.9
191.03415	4.1
193.04932	2.6
195.02901	6.8
197.04504	4.9
197.73872	1.6
199.13518	1.8
201.11162	2.5
206.72322	1.9
207.02901	10.2
207.05028	13.2
209.04503	12.6
209.08069	2.6
211.02368	2.0
213.09146	2.2
219.02931	2.8
221.04480	2.2
225.03990	66.5
226.04335	3.9
227.07060	2.7
229.08597	6.5
237.03929	3.2
239.05611	7.9
240.08144	2.0
241.08598	8.3
243.06520	6.2
249.03929	2.3
251.94009	1.8
253.08780	3.2
255.04980	30.9
257.08130	5.7
269.08264	29.8
270.08594	1.7
271.09787	3.2
273.07727	12.6
279.05078	2.1
281.08200	14.1
283.09750	5.6
285.06940	4.1
286.08377	5.7
287.09131	2.0
287.22220	4.3
299.09225	5.9
303.07071	2.5
309.07538	5.6
311.03162	1.8
311.09256	34.3
314.07932	7.6
315.08517	2.5
327.07574	6.4
329.10229	3.0
339.08719	2.0
341.10339	5.9
345.08182	18.8
357.09756	25.5
358.09937	2.1
369.09720	2.7
370.73804	2.1
371.11407	5.4
375.09344	3.5
387.10889	15.5
389.12396	26.0
390.12527	3.5
393.11777	5.0
399.10620	2.8
407.13318	3.3
417.11798	6.5
433.15070	4.0
447.12607	4.2
449.27557	14.7
449.90463	1.9
459.12857	14.1
465.12146	2.7
471.12756	2.5
477.14029	61.1
478.14313	5.3
489.13989	4.3
507.14780	3.0
579.16907	3.3
597.18188	100.0
597.30914	6.6
598.18427	18.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.1825
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44385	0.4
55.01744	0.4
57.03316	0.9
59.01247	2.7
60.89468	0.3
61.98693	0.9
65.03812	0.5
67.01724	0.6
68.99657	1.6
69.03323	1.1
71.01251	2.7
71.04855	0.5
71.05938	1.1
73.02807	1.3
75.00729	0.7
75.26953	0.4
81.03329	8.1
83.01257	6.5
83.04871	0.7
85.02827	2.0
87.00737	0.6
89.02323	0.5
91.05354	0.5
93.03333	6.6
95.01253	2.6
95.04888	5.2
96.95905	0.4
97.02238	0.6
97.02818	5.5
99.00710	0.9
99.04409	3.2
101.02324	0.8
103.05470	0.4
107.01225	0.6
107.04894	1.9
108.02021	1.3
109.02840	3.9
109.06446	1.4
111.00751	0.9
111.04398	3.5
113.02365	2.2
119.04907	8.6
121.02849	4.1
121.06472	1.4
122.03632	0.5
123.00771	0.6
123.04411	19.1
124.01525	0.5
124.04688	0.4
125.02331	13.5
125.05914	0.6
130.04262	0.4
131.04887	0.5
133.06471	0.6
135.03584	0.5
135.04430	5.6
137.02350	6.6
137.05980	6.9
138.02974	0.6
138.06346	0.4
139.02847	0.6
139.03911	10.3
140.04164	0.5
141.05472	0.9
145.02809	0.9
145.06433	0.6
147.04443	3.7
149.02293	1.6
149.05978	2.6
150.03064	1.0
151.02663	0.6
151.03879	4.1
151.07535	0.8
153.05463	2.0
155.03365	0.9
159.04446	0.8
159.08168	0.4
161.02278	0.5
161.04720	0.4
161.06015	2.0
162.03130	0.5
163.00273	0.5
163.03938	4.0
163.07553	1.3
164.00716	0.4
164.04646	1.3
165.01830	3.3
165.04114	0.6
165.05460	7.8
166.02571	1.6
167.03409	31.2
168.03706	1.1
173.05992	0.5
175.03857	0.7
177.01855	1.1
177.05498	2.5
178.02559	1.1
179.03427	9.8
179.07037	1.5
180.04042	1.4
181.04959	3.5
189.05501	8.3
190.05779	0.6
191.03442	2.5
191.07062	0.8
193.01208	0.4
193.04994	6.1
194.05438	1.1
195.02792	0.4
197.04477	4.3
201.05515	0.4
203.03566	0.5
205.01302	0.6
205.05032	1.3
205.08646	0.5
206.02106	0.4
207.02927	0.9
207.06540	1.8
209.04495	26.4
210.04823	1.4
211.05898	0.4
219.02940	2.1
219.06506	0.6
220.03780	0.8
221.04504	5.4
223.06018	1.8
229.08609	1.4
232.61243	0.4
233.04475	1.4
235.06061	1.1
239.05566	10.4
240.05916	1.0
243.14841	0.4
245.04480	0.5
247.06071	0.6
251.05609	5.1
263.05664	2.3
269.06583	1.8
271.09576	0.5
273.07660	3.8
281.06683	1.7
285.07660	2.1
286.08411	0.8
289.07263	0.4
293.06876	0.5
311.07761	0.7
313.11142	0.5
315.08749	17.2
316.08957	1.8
327.08682	7.2
328.09125	1.0
339.08676	0.7
341.06586	0.4
341.10223	1.3
345.09805	6.1
346.10104	0.7
354.07465	0.8
355.08282	0.9
357.09775	100.0
358.10135	10.3
369.09747	4.7
369.82553	0.4
371.11285	1.0
387.10840	74.8
388.11172	8.9
399.10916	4.0
400.11273	0.8
404.14462	0.5
405.14417	0.6
417.11911	26.0
418.12292	2.8
429.11789	2.2
441.11847	0.7
447.13004	0.6
459.12985	9.8
460.13297	1.2
471.13190	1.2
477.14014	17.5
478.14429	3.3
489.14038	7.2
490.14389	0.8
507.15106	2.9
561.15778	0.7
579.17847	1.7
597.18274	10.8
597.28992	0.7
597.31281	0.6
598.18347	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	597.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
54.35048	3.7
59.01253	9.8
61.98697	12.1
70.15723	15.6
71.01247	5.3
73.02813	4.8
81.03336	11.7
83.01259	21.0
95.01260	3.8
95.04892	6.5
97.02824	9.5
99.04414	7.3
101.02322	5.7
107.04903	4.6
109.02847	5.6
111.04394	4.4
114.75751	3.9
121.02859	7.4
123.04408	28.2
125.02326	23.2
135.04417	9.0
137.02312	4.4
137.05952	13.1
139.03955	18.8
145.63641	3.9
149.06010	3.9
151.03932	7.4
153.05548	4.1
163.03899	3.7
165.01817	4.0
165.05502	6.3
167.03391	66.5
177.05548	4.5
179.03380	17.7
179.06987	3.6
180.26430	3.9
181.04980	7.4
191.03468	4.8
193.01309	3.8
193.04988	7.0
197.04485	9.1
209.04503	83.9
219.03055	4.0
221.04567	21.2
233.04439	4.0
235.06032	6.4
239.05568	42.9
240.05972	4.8
240.81917	3.9
251.05597	89.3
281.06638	88.9
293.06799	7.9
311.07730	45.6
315.08765	4.9
323.07593	4.5
330.98193	4.8
353.08731	10.1
357.05640	8.1
357.09796	89.9
358.10117	7.4
369.09796	9.5
371.09927	4.8
376.26062	4.2
383.09802	9.9
387.10785	100.0
388.11163	12.6
399.10379	4.7
417.11987	36.3
459.13031	19.0
477.14236	42.6
489.14090	12.5
507.14905	10.1
597.18518	24.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2884
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93925	0.4
51.36254	0.5
71.09038	1.1
78.95773	65.7
82.92501	0.5
96.96207	0.8
96.96837	13.2
118.26623	0.5
121.45242	0.4
136.67418	0.6
150.97949	1.6
152.59822	0.4
152.99486	100.0
153.99823	1.2
171.00549	2.9
223.00101	9.2
234.67563	0.5
241.01155	22.5
242.01460	1.0
259.02252	1.8
279.23279	58.1
280.23590	6.4
315.04858	17.6
333.05981	1.3
355.88812	0.5
583.14417	0.5
595.28857	75.1
596.29236	14.4
606.95282	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2888
Annotation	Unknow
Peak:m/z	Relative Intensity
58.92798	0.7
62.53873	0.8
62.96254	0.8
65.84338	0.8
69.18319	0.8
69.22097	7.8
73.32800	0.8
78.95773	91.3
86.52925	0.7
93.60371	0.7
96.96834	21.9
98.19855	1.7
118.06495	0.8
125.87753	0.8
152.99492	81.7
153.99797	1.6
171.00435	1.1
215.08548	0.8
223.00104	3.3
241.01143	41.7
242.01556	1.4
259.02185	0.8
279.23282	85.2
280.23682	10.3
315.04846	12.4
391.58832	0.8
415.22464	7.7
450.01523	0.9
595.28851	100.0
596.29309	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	595.2883
Annotation	Neobonaspectin B
Peak:m/z	Relative Intensity
50.12496	0.6
54.17364	0.5
66.45096	0.6
71.30660	0.9
75.00741	0.6
78.95770	64.0
79.22707	0.6
85.48219	0.6
96.96847	11.4
114.24187	0.5
142.38837	0.6
150.97939	1.5
152.99486	100.0
153.99809	2.3
171.00529	2.3
223.00073	10.5
241.01135	27.2
242.01445	0.8
259.02176	1.7
275.23721	0.6
279.23270	65.5
280.23590	7.4
315.04840	17.2
316.05325	0.6
332.29810	0.6
333.05997	1.7
542.43494	0.6
595.28851	95.0
596.29156	18.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.3154
Annotation	Unknow
Peak:m/z	Relative Intensity
58.87098	0.6
63.96101	1.1
67.89186	0.6
70.53386	1.8
71.01251	5.9
73.02816	1.2
78.98460	5.5
79.95602	7.8
80.96388	56.5
85.02822	2.5
87.00738	2.1
94.97394	1.2
94.97963	13.7
96.95896	0.9
97.02833	1.4
101.02316	1.7
106.97988	3.3
122.97467	2.3
125.02316	2.4
134.97467	4.0
136.99057	1.3
148.99046	5.6
152.98549	5.2
164.98553	10.8
191.92979	0.7
206.99622	2.1
225.00681	13.4
226.01074	1.0
239.70132	0.6
255.23105	0.7
265.71469	0.7
295.26456	1.6
297.11343	0.7
299.04459	3.8
303.38367	0.7
595.31561	100.0
596.31903	16.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.276
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	100.0
60.01580	0.8
61.98717	0.6
69.68126	0.4
71.51716	0.4
86.89166	0.4
103.33473	0.4
104.64853	0.4
119.19123	0.4
119.19971	0.4
137.63051	0.4
270.55368	0.5
331.19144	2.0
399.10941	0.5
535.25653	3.6
536.26276	0.8
595.28003	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.279
Annotation	Zn-OEP complex
Peak:m/z	Relative Intensity
52.85244	0.9
57.03318	0.9
59.01239	1.8
61.98693	4.2
63.96089	1.6
70.76840	2.3
71.01260	6.9
78.98449	4.7
79.95599	10.2
80.96388	64.2
82.95965	3.4
85.02814	2.8
87.00761	2.4
94.97952	13.2
96.95881	2.1
97.02835	2.0
98.40922	0.9
99.00768	1.4
101.02311	3.0
106.97973	2.6
115.00228	1.3
121.02850	7.6
122.03164	3.0
122.97475	2.5
125.02309	2.9
134.97484	3.4
136.99055	1.6
148.99007	6.1
152.98587	5.5
164.98552	11.0
175.02415	1.5
195.13884	1.1
206.99513	2.2
209.04523	2.7
210.04755	2.7
225.00671	14.5
226.94797	1.0
234.89064	1.1
277.21875	1.1
286.04379	1.0
299.04410	3.0
307.04498	1.0
392.51685	1.0
423.48444	1.1
468.87695	1.1
512.96625	1.0
595.27771	100.0
596.27997	17.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2333
Annotation	alpha-Diceroptene
Peak:m/z	Relative Intensity
50.34792	0.5
55.01751	1.2
57.03322	4.0
59.06618	0.5
60.03894	0.5
61.98693	1.2
71.50185	0.6
77.23823	0.5
78.95772	4.3
79.01756	6.4
83.01256	1.1
87.04368	0.7
95.04937	0.5
96.96813	0.7
99.08017	2.9
107.63643	0.5
109.02808	0.8
119.94594	0.5
121.06518	0.8
149.05962	6.2
150.03134	0.6
152.99487	5.0
159.08043	0.9
165.09126	2.2
166.06300	0.7
167.07036	11.5
168.07330	0.9
171.04425	2.9
173.09659	1.1
176.07550	0.5
178.02652	1.1
183.08025	0.9
193.04962	8.2
200.08350	0.6
208.07567	0.6
209.08119	8.0
211.11247	1.1
237.09181	0.7
238.10095	0.5
241.01112	1.3
253.12337	9.5
254.12706	1.0
255.10309	0.8
279.23331	2.4
297.11298	100.0
298.11649	9.8
357.11084	0.5
383.16360	0.6
401.17581	1.2
415.22025	0.6
427.15427	0.7
595.29144	4.0
595.37512	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1671
Annotation	6,8-Di-C-glucopyranosylnaringenin
Peak:m/z	Relative Intensity
64.21503	1.2
71.01253	1.6
71.07465	1.5
73.02837	1.1
79.01743	1.3
81.03326	1.8
83.01282	2.9
93.03339	7.3
95.01265	2.6
95.04906	1.0
97.02836	3.9
99.00802	1.2
104.80172	0.9
107.01254	6.5
107.04941	0.9
107.62829	1.1
109.02845	3.3
111.04385	2.5
113.02347	2.1
117.03327	2.5
119.04922	35.8
119.05750	2.0
120.05252	1.5
120.72346	0.9
121.02862	3.6
123.00796	1.1
123.04453	4.1
125.02354	8.6
131.04912	1.1
135.04414	3.8
136.01576	0.9
137.02327	6.2
139.03925	6.0
143.04951	5.2
145.02887	8.0
147.04410	2.8
149.02344	5.2
150.03064	1.3
151.00307	4.1
151.03946	2.5
159.04333	1.2
161.02391	2.0
161.06017	2.0
163.00266	4.0
163.03937	3.5
165.01813	7.0
165.05363	1.1
167.03395	10.8
175.03984	2.1
177.01851	5.8
177.05443	1.5
179.03453	3.3
187.03928	6.4
191.03409	4.4
192.00429	1.0
193.01343	11.9
193.04948	1.2
197.04462	2.3
197.06094	1.3
199.07623	2.5
203.03519	1.2
205.01347	9.3
207.02956	4.6
209.04448	4.7
219.02971	3.9
221.04559	1.5
223.02441	2.8
227.07108	2.6
233.04547	2.8
235.02443	14.3
239.05449	2.6
241.08752	1.2
243.06511	1.6
247.02487	2.2
249.03976	2.1
261.04059	4.0
265.03464	6.8
269.08163	1.3
271.06073	2.9
283.06161	1.6
291.04883	0.9
311.09457	1.1
313.07144	21.0
313.10547	1.3
314.07547	1.5
325.03391	1.5
325.07025	9.0
339.08823	1.0
343.08228	7.0
344.08572	1.1
353.06580	1.9
355.08209	100.0
356.08490	11.0
367.08310	4.3
369.10019	2.2
385.09314	76.6
386.09628	10.2
397.09366	4.1
415.06067	1.8
415.10547	21.8
416.11185	1.7
427.10202	3.0
457.11307	9.7
475.12485	40.3
476.12891	7.8
487.12668	7.6
505.09723	6.1
505.13828	6.3
506.14069	1.6
535.11426	1.8
571.09076	1.0
577.15570	4.7
595.16730	99.0
596.17108	17.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1668
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	1.2
59.01240	1.3
64.33455	0.6
68.99683	0.7
69.03329	1.5
71.01252	3.1
71.04920	0.6
71.07522	0.8
71.07851	1.4
73.02834	1.8
81.03328	12.6
81.82799	0.6
83.01256	11.1
85.02819	1.8
93.03338	2.1
95.01263	3.7
95.04899	5.7
97.02821	6.6
99.04393	5.7
99.79758	0.6
101.02377	0.7
105.03359	0.9
107.04916	1.6
109.02164	0.8
109.02824	3.7
111.00771	1.2
111.04391	3.6
113.02325	3.4
113.05967	0.8
119.04933	1.2
121.02847	5.7
121.06493	1.5
123.00802	1.0
123.04406	26.7
124.04692	0.9
125.02334	30.5
125.05937	0.9
133.02823	1.3
135.04399	3.6
137.02339	7.5
137.05988	2.3
138.03088	1.0
139.03923	4.7
145.17432	0.7
147.04431	2.2
149.02357	3.4
151.03908	5.4
153.05472	2.7
155.03395	1.4
163.00311	0.9
163.03925	2.3
165.01839	2.3
165.05466	3.7
166.02614	1.5
167.03413	43.6
168.03772	1.5
175.03960	0.7
177.01868	1.3
177.05519	1.5
179.03427	10.3
181.04982	2.1
187.45183	0.7
191.03403	3.1
193.01468	0.7
193.04997	1.2
195.02957	0.6
197.04483	12.8
205.04858	0.7
207.02898	0.7
209.04498	100.0
210.04872	4.2
221.04538	3.7
233.04349	1.1
239.05568	69.8
240.05884	3.6
251.05582	4.3
253.09012	0.7
269.06647	30.8
270.07022	1.5
281.06674	2.9
293.06671	0.9
299.07883	0.7
301.06009	1.0
311.07803	8.1
327.05057	1.0
328.05490	1.0
329.05627	1.1
329.08786	25.9
330.09122	2.2
339.05310	0.8
341.08768	6.5
347.75790	0.7
355.08221	35.9
356.08459	3.9
359.09897	8.2
360.10159	0.7
367.08185	2.5
368.08350	0.8
371.06876	1.1
381.08521	0.8
385.09290	27.8
386.09546	3.9
415.10300	7.5
439.10458	0.8
449.12952	12.6
450.13443	1.7
457.11453	4.6
475.12427	21.2
476.12930	2.1
487.12347	2.6
505.13525	4.1
506.13638	0.8
577.15387	1.7
595.16418	30.9
596.16846	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	595.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49712	1.2
59.01242	2.9
63.02254	1.5
65.00189	14.0
68.99706	1.1
71.01242	2.0
79.01764	0.9
81.03323	2.0
83.01247	6.3
84.05785	0.8
89.02293	1.2
93.03320	2.2
95.01251	1.5
95.04888	1.0
97.02821	1.1
98.19730	1.8
101.02309	1.6
103.01701	0.8
107.01268	22.1
107.04922	1.3
109.02828	9.0
111.00766	1.0
117.03387	1.0
121.02813	2.4
123.04404	2.7
125.02330	11.5
133.02832	4.7
133.73511	0.9
134.03639	1.6
135.04410	66.5
136.04735	3.4
137.02368	4.3
139.03899	1.5
147.04285	1.5
149.02347	13.1
151.00270	100.0
152.00591	3.8
161.02347	2.2
163.00317	0.9
163.03905	2.9
164.01033	1.7
164.90689	0.9
165.01804	3.6
166.02548	1.3
167.03395	6.1
169.01295	1.2
173.02309	1.1
175.00325	6.1
177.01913	4.6
177.05576	1.0
179.03362	3.3
189.01865	1.3
190.99644	0.9
191.03415	3.9
193.01326	5.0
197.04555	1.2
203.03445	1.4
205.01395	1.9
206.02028	1.1
207.02888	2.5
209.04474	1.6
215.03523	1.2
217.01329	2.8
219.02849	3.0
222.01624	1.9
230.23669	1.0
235.02347	2.6
247.02435	1.1
249.04045	1.0
265.03476	1.7
269.04480	2.2
277.03561	1.2
283.05960	1.5
284.03256	2.4
285.03922	8.3
286.04349	8.3
287.05609	94.0
288.06015	8.1
291.01166	0.9
301.03604	1.3
311.05469	2.6
313.09250	3.3
314.04208	1.2
327.04813	2.1
329.06381	1.7
341.06384	1.3
355.04807	1.6
357.06216	1.5
369.06226	2.8
373.05591	1.0
385.05466	1.1
401.05164	4.7
404.58560	0.9
417.13983	2.6
431.06027	2.8
459.11176	4.8
462.14151	1.0
473.07318	1.6
475.09225	1.1
487.09186	1.0
491.08606	3.4
505.09750	6.5
535.27594	1.1
549.12592	1.1
562.13110	1.6
577.12982	3.8
578.12579	1.4
595.15613	21.6
596.14954	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.13
Annotation	Tricetin 6-C-arabinoside-8-C-glucoside
Peak:m/z	Relative Intensity
59.01231	3.1
63.43590	2.3
63.95032	2.3
69.29193	14.3
69.29610	7.9
71.01244	3.1
76.21870	2.3
83.01250	4.6
93.03305	8.0
95.01187	3.0
97.02806	2.8
99.00702	2.7
101.02319	3.0
109.02790	3.6
117.03306	7.6
121.02838	4.7
123.00719	4.4
123.04362	5.1
125.02272	8.1
133.02821	5.5
135.04382	4.5
137.02309	9.8
137.55103	2.6
139.03874	3.9
149.02315	9.5
151.00220	2.8
151.03796	3.6
152.00975	2.4
153.01805	5.0
161.02293	6.9
163.00201	3.2
163.03903	5.2
165.01784	4.1
167.03380	5.3
175.02327	2.4
175.03792	3.4
177.01814	7.8
179.03345	5.7
189.01785	4.4
191.03310	5.6
193.01341	5.1
203.03395	5.6
205.01257	5.0
207.02753	6.0
209.04404	3.7
217.01297	2.7
219.02840	4.8
235.02351	6.9
242.05290	2.7
247.02440	3.5
249.04073	3.5
257.04501	2.8
269.04230	3.6
277.03461	4.5
281.04657	2.9
283.06021	5.9
285.03891	3.8
297.04031	5.1
297.07626	4.9
298.04568	4.8
299.05222	6.6
300.05731	2.9
310.04367	2.9
311.05447	4.4
314.04117	5.0
327.04886	5.5
328.05618	3.3
339.05032	5.0
341.06155	7.2
343.04279	3.9
353.06317	8.5
357.05933	3.4
369.05960	7.5
370.06271	2.9
371.06924	5.8
383.07562	3.3
385.05554	7.8
399.06818	3.9
400.06940	2.6
401.07996	3.9
415.06512	7.9
431.09204	3.2
443.09457	7.4
445.07410	5.9
459.09357	4.9
473.10495	4.3
474.11063	3.9
475.09448	16.3
476.09549	4.1
487.08658	3.9
505.09894	25.2
506.10168	3.3
535.10376	3.7
562.13153	4.5
577.12604	4.3
594.15015	4.8
595.13196	100.0
596.13623	18.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1302
Annotation	Tricetin 6-C-arabinoside-8-C-glucoside
Peak:m/z	Relative Intensity
57.03326	5.1
57.27090	3.0
58.32938	2.8
59.01248	35.8
61.98691	9.3
62.06289	3.2
63.02290	3.4
65.00191	3.5
69.38922	28.5
71.01268	21.3
72.99162	5.5
73.02812	6.5
74.52541	3.0
75.00710	4.2
81.03329	4.0
83.01250	14.7
85.02814	13.2
89.02319	14.5
93.03330	12.3
95.01276	6.9
95.30897	3.8
97.02821	12.3
99.00748	5.5
101.02315	16.2
103.76749	3.3
107.01237	8.5
109.02831	38.2
111.00745	5.6
111.04413	4.8
113.02282	5.8
117.03342	12.0
119.04929	5.6
121.02813	12.3
123.00769	6.2
123.04377	15.1
125.02334	54.7
133.02841	34.1
135.04375	8.2
137.02316	20.4
137.05942	3.3
138.03073	3.2
139.03912	9.7
145.02863	7.2
147.04419	5.4
149.02354	24.8
149.05963	5.1
151.00255	11.7
151.03822	15.5
152.00992	2.9
153.01770	10.7
153.05438	4.2
161.02327	10.3
161.05966	3.6
162.03078	10.0
163.00279	7.9
163.03851	11.4
164.01007	4.1
165.01904	19.4
165.05536	5.0
167.03383	22.4
175.02539	3.9
175.03929	17.9
176.01031	3.4
176.04518	4.4
177.01863	31.3
177.05415	13.1
178.02615	5.1
179.03407	18.2
179.05565	4.0
179.07014	9.7
180.04141	12.3
181.01247	4.2
181.04886	4.0
185.05914	4.1
187.03900	4.9
189.01811	10.8
190.02533	6.1
190.99780	9.6
191.03401	23.4
191.07115	4.8
192.00534	10.6
193.01349	35.2
193.04968	7.4
194.05777	9.0
195.02890	7.0
197.04381	6.0
199.03961	3.5
201.01807	5.4
201.11116	4.6
203.03487	9.0
205.01289	13.2
205.08636	8.7
206.02083	8.8
207.02893	23.4
209.00798	4.4
209.04460	11.5
212.04849	3.3
213.05449	4.5
215.03461	6.1
217.01404	9.8
217.05029	4.8
219.02945	23.2
221.00795	6.3
221.04416	8.2
222.01511	6.3
223.02373	13.3
223.04384	3.8
227.03439	4.8
227.07045	4.2
229.05098	3.7
231.02893	7.9
233.00867	5.6
233.04489	7.1
235.02429	28.2
235.06090	4.5
236.02902	5.9
237.03891	9.7
239.05429	3.8
243.02879	4.8
245.00978	3.8
245.04367	6.5
247.02466	13.4
249.03853	7.7
251.01993	4.4
257.04535	4.9
259.02347	7.3
259.06052	4.0
260.57114	3.2
260.59616	3.8
261.04059	5.8
263.01907	7.1
265.03470	19.6
268.03656	4.9
269.04440	14.2
271.06030	7.4
277.03513	13.4
283.06000	5.4
285.03915	6.7
286.04205	3.9
287.05560	5.9
291.01447	9.1
293.02979	6.1
295.04651	10.2
297.03989	11.5
298.04657	12.2
298.07840	4.2
299.05319	15.0
301.03537	4.2
307.04590	5.8
311.05502	9.8
312.05841	4.0
313.03458	6.4
313.06955	10.3
314.04166	5.3
315.05057	5.8
319.04477	4.1
321.06100	3.5
327.05063	28.0
328.05530	7.2
328.09726	6.1
329.06378	8.8
330.03333	4.0
331.04434	3.4
339.05075	11.3
340.05508	4.8
341.06583	7.4
343.04535	5.4
343.11594	17.9
344.05191	3.9
345.06064	4.3
355.04169	21.1
356.04861	6.4
357.06058	14.2
358.06625	6.0
358.14084	5.4
359.07339	11.1
369.05981	26.4
370.06610	5.0
373.05435	5.4
383.04010	6.0
385.05371	20.2
387.07205	13.6
389.16019	38.2
390.16214	4.4
397.05646	8.9
399.07104	8.5
401.04980	42.0
402.05469	7.1
403.06500	6.4
413.04919	8.5
417.07974	6.2
431.05756	28.3
443.05817	6.1
445.07700	22.6
446.08109	4.6
447.09119	7.6
449.11560	5.8
457.07925	5.5
459.09528	20.9
460.10461	3.8
461.07065	12.5
462.08447	4.6
463.08801	5.6
471.09476	5.7
473.06113	3.8
475.08746	3.8
487.08890	9.9
491.08124	51.3
492.08612	8.9
501.12311	15.6
505.09769	21.8
517.09790	3.7
521.09546	9.4
523.13855	7.8
535.11017	4.4
535.27191	3.7
551.14069	5.4
561.12360	5.8
562.13312	26.1
567.13776	3.5
577.12439	22.3
578.12567	5.0
595.12646	100.0
595.29761	20.1
596.12915	16.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1312
Annotation	Tricetin 6-C-arabinoside-8-C-glucoside
Peak:m/z	Relative Intensity
56.05945	1.7
59.01234	2.5
60.56164	1.8
71.01244	3.3
71.49992	3.1
73.02808	1.9
79.01782	3.9
83.01264	3.4
84.54252	1.9
85.02789	2.4
91.46663	1.8
93.03327	5.0
107.01257	2.6
108.79311	1.9
109.02808	4.7
111.00751	3.2
117.03288	2.9
121.02793	7.0
123.04354	5.8
125.02347	11.3
133.02824	7.5
135.04367	8.3
137.02293	4.0
139.03859	2.3
142.79639	1.9
144.05742	1.8
149.02374	9.9
150.03021	2.4
151.00261	12.9
151.03850	6.4
161.02246	4.6
163.00243	3.1
163.03838	4.5
164.00798	2.0
165.01765	6.6
167.03358	8.2
175.03859	4.8
177.01782	8.6
179.03355	5.8
189.01823	3.5
191.03343	9.2
193.01312	5.4
201.01814	2.9
203.03282	2.6
205.01218	4.2
207.02924	4.5
209.04404	6.7
213.05318	4.4
215.03285	2.6
219.02898	3.2
221.04486	2.6
223.02281	2.5
227.03473	2.9
235.02379	6.0
247.02225	2.6
249.03914	4.1
253.04988	2.2
257.04401	2.4
265.53055	2.4
269.04343	5.0
270.05188	2.4
277.03311	2.5
282.05292	2.5
283.05893	4.3
285.04041	4.4
287.05450	5.5
297.03918	6.0
297.07431	3.1
298.07764	3.9
300.02618	3.9
301.03290	6.2
311.05496	4.9
313.03339	7.8
314.04306	21.7
315.04849	7.5
327.04962	4.5
328.05743	3.7
329.02930	21.0
329.06351	4.2
339.04825	5.6
341.06375	4.7
342.03598	4.5
343.04541	19.1
353.06445	8.7
354.06793	5.2
355.03821	9.6
355.08133	3.0
357.06094	3.3
367.04199	3.7
369.06033	9.2
371.07245	3.0
383.07468	5.5
384.07791	4.0
385.05182	19.8
397.05106	5.6
415.06329	14.4
421.08142	2.4
427.06274	3.1
432.06503	6.0
433.07574	5.3
439.06992	2.3
445.07578	5.4
457.07730	3.9
462.07727	9.2
463.08401	6.6
475.08670	34.1
476.08798	5.7
487.08456	4.5
489.10074	2.5
505.09808	39.6
506.09979	4.3
535.10675	5.8
562.13184	3.3
577.11719	7.9
594.15082	2.7
595.13190	100.0
595.27838	4.3
596.13379	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	593.2735
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18200	1.1
59.01237	2.0
71.52954	2.3
78.95776	100.0
96.96852	18.0
121.02821	4.5
150.97908	1.9
152.99496	84.8
153.99971	1.3
171.00719	1.3
179.05524	1.6
209.04529	2.3
223.00055	2.6
241.01167	38.1
259.02148	1.4
277.21713	59.3
278.22034	4.2
315.04944	12.7
375.09018	1.4
413.20844	6.5
431.22055	3.6
564.57196	1.4
593.27319	97.5
594.27740	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	593.2731
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98089	0.4
59.01248	1.0
59.44250	0.5
60.88149	0.5
62.96257	0.5
69.60825	3.7
78.95774	63.0
96.96843	12.5
98.19858	0.6
121.02859	1.2
121.90022	0.5
150.97945	0.9
152.99490	100.0
153.99864	1.4
171.00536	2.8
194.11841	0.5
209.04425	1.1
219.14285	0.6
223.00082	9.3
241.01144	22.6
259.02194	1.6
271.98077	0.5
277.21716	44.8
278.22058	4.5
315.01291	0.9
315.04892	15.6
316.05249	0.8
333.05930	1.4
408.39441	0.5
411.69241	0.5
551.97858	0.5
593.27301	76.9
594.27643	13.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.273
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00005	0.5
52.21022	0.5
53.93028	0.5
59.01245	0.7
62.96284	0.5
64.51065	0.5
71.21600	1.0
71.21947	0.5
78.27293	0.6
78.95770	69.4
83.48635	0.5
88.80882	0.7
93.03004	0.6
96.96841	12.4
107.92960	0.5
132.73976	0.6
150.97934	1.1
152.99484	100.0
153.99821	2.2
171.00537	3.3
184.74683	0.6
223.00056	10.1
241.01140	24.1
242.01501	0.8
259.02161	1.0
259.20511	0.6
277.21707	45.4
278.22034	5.3
315.04868	17.0
316.05328	0.8
333.05869	1.3
368.29105	0.6
452.48514	0.6
584.89063	0.7
593.27283	89.7
594.27643	16.5
608.37903	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2632
Annotation	Unknow
Peak:m/z	Relative Intensity
53.98922	0.4
55.28537	0.4
59.01242	0.9
63.96088	0.8
69.03333	0.7
71.01250	5.5
71.07485	0.4
71.07832	1.0
71.62863	0.5
73.02815	1.2
78.98457	4.2
79.95602	30.5
80.96386	51.3
81.03343	0.6
85.02803	2.2
87.00751	2.2
94.14474	0.5
94.97954	13.2
96.95876	1.5
97.02814	1.0
99.00714	0.5
101.02325	1.7
106.97989	2.2
122.97439	3.2
125.02361	2.2
127.03925	0.8
134.97479	4.4
136.99028	1.2
148.99048	4.8
152.98524	4.6
161.04472	1.1
164.97284	0.9
164.98544	9.2
195.13771	0.5
206.99583	3.3
225.00694	14.3
226.00905	0.7
241.00188	2.2
278.40494	0.5
299.04443	3.3
315.03876	1.1
340.59799	0.5
341.05280	0.6
371.06528	2.5
385.08084	1.5
399.09506	2.5
408.80106	0.5
413.11081	1.2
441.14346	1.1
455.15808	2.5
456.16168	0.7
481.17542	0.5
495.19263	2.2
523.18549	0.5
524.19135	1.2
543.93793	0.4
569.79181	0.6
593.26300	100.0
594.26715	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	593.2636
Annotation	Isochondrodendrine
Peak:m/z	Relative Intensity
52.81762	0.7
57.91962	0.6
59.01227	1.9
61.98391	1.0
61.98700	18.6
63.96087	0.9
66.08065	0.6
69.03319	0.9
69.18355	0.6
69.91569	1.5
69.91976	2.4
71.01253	8.6
73.02805	2.4
78.95750	1.4
78.98456	6.6
79.95600	11.4
80.96384	74.7
81.03320	1.1
85.02818	3.6
87.00742	3.3
93.03339	0.9
94.97958	19.3
96.95865	1.7
97.02802	2.0
101.02335	3.6
106.97939	2.4
121.02825	6.2
122.97466	3.2
125.02326	2.8
129.04718	0.8
134.97485	5.9
136.99019	1.5
139.03879	0.8
145.02814	0.7
148.99062	5.3
152.98537	4.5
154.35555	0.7
164.98541	11.9
171.10008	0.8
179.30307	0.8
202.46738	0.7
206.99556	2.4
209.04469	3.1
225.00699	14.4
248.39629	0.8
285.04022	3.0
293.21198	2.1
297.07709	1.8
299.04294	3.4
302.63309	0.7
309.20724	1.3
327.05124	1.8
353.06342	1.8
383.07678	1.5
431.23764	0.8
473.10754	0.8
585.07672	0.7
593.15265	10.0
593.26227	100.0
594.16077	1.8
594.26465	16.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2636
Annotation	Isochondrodendrine
Peak:m/z	Relative Intensity
59.01247	1.1
63.96105	1.1
67.87016	0.4
69.03312	0.7
71.01249	5.8
71.27276	0.8
73.02802	1.2
78.98454	5.1
79.95602	36.4
80.96385	57.3
83.01270	0.6
85.02827	2.1
87.00762	2.2
93.97137	0.5
94.97959	13.3
96.95874	1.1
97.02808	2.2
101.02327	2.7
106.97968	3.2
108.69684	0.4
113.02354	0.9
122.97482	5.3
125.02321	3.2
134.97470	4.0
136.99002	1.8
147.65758	0.5
148.99040	6.3
152.98526	7.2
155.19229	0.4
161.04420	0.8
164.98541	10.8
167.00137	0.7
182.99644	2.1
188.16588	0.5
188.98495	0.8
195.13837	0.6
197.01260	0.6
206.99599	4.1
209.91791	0.5
222.59026	0.5
225.00687	21.1
226.00899	1.0
227.41843	0.4
241.00198	1.3
243.01746	2.0
293.21252	0.5
299.04388	5.3
315.03812	0.9
371.06482	1.4
385.08096	0.9
399.09549	1.9
413.11182	1.0
427.12845	0.6
434.00504	0.4
441.14197	0.9
455.15906	3.4
464.39325	0.6
481.17255	0.6
495.19238	2.5
523.18683	0.7
524.19281	0.8
593.26300	100.0
594.26666	16.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2244
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94017	0.9
55.01754	1.1
58.00471	1.2
58.90640	1.0
59.01252	91.4
60.01594	1.6
69.03320	1.2
71.01255	38.1
71.51803	1.9
72.99192	1.8
73.02821	32.2
75.00748	1.0
75.79404	0.9
76.41206	1.0
78.95784	1.2
81.03319	1.2
83.01254	11.2
83.04904	1.9
85.02828	6.2
87.00733	1.7
89.02332	8.4
95.01282	2.5
96.96982	0.9
99.00757	1.8
101.02325	33.5
102.02650	1.0
108.02021	1.0
113.02328	18.9
114.02680	0.9
119.03415	4.3
121.02843	1.9
125.02390	1.6
129.25229	0.9
131.03387	3.5
133.02823	1.1
136.01570	0.9
143.03372	2.8
146.03654	1.3
149.04437	6.2
151.03918	1.3
157.24774	1.1
159.03104	0.9
161.04465	14.0
164.04715	4.5
177.01869	2.0
179.07060	100.0
180.07365	5.6
187.03864	0.9
192.04230	3.2
198.35770	1.0
203.05563	2.2
209.08138	1.6
221.06613	4.9
225.16098	4.9
285.04007	1.3
297.03949	1.1
313.03641	1.2
341.10211	1.2
389.15994	11.7
390.16376	2.3
411.07346	1.9
451.33142	4.9
452.33224	1.1
533.20215	5.7
549.29083	16.7
550.29840	2.2
551.21191	2.8
593.14154	2.2
593.22888	5.7
593.43829	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	593.1508
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09578	1.5
55.01758	1.6
59.01250	17.2
61.98693	6.1
65.00180	3.0
66.85680	1.8
67.01743	3.4
68.99675	7.5
69.03333	2.1
71.01256	9.7
72.99169	2.5
73.02827	2.8
75.00735	2.4
79.01733	2.5
81.03323	7.3
83.01239	9.3
85.02808	7.0
87.00738	5.7
88.73451	1.8
89.02313	4.4
93.03327	7.2
95.01253	10.2
96.99187	3.0
97.02813	8.6
99.00756	2.1
101.02304	3.9
105.03323	3.1
107.01239	3.6
109.02837	10.7
109.99954	2.0
111.00774	13.3
113.02326	7.5
117.03334	3.3
119.04913	4.1
121.02842	16.8
123.00777	14.7
123.04404	3.4
125.02332	26.5
133.02843	6.5
135.00731	3.8
136.01537	2.5
137.02357	12.2
139.00261	9.4
139.03842	2.1
140.01024	2.8
141.01819	8.2
143.04932	4.3
145.02892	10.9
149.02345	12.9
151.00229	6.1
153.01842	23.5
159.04405	2.1
161.02335	3.5
163.00282	8.5
165.01866	18.0
167.03403	5.0
169.06537	2.6
169.17661	1.6
175.03816	3.0
176.01033	3.1
177.01859	13.7
178.99756	2.3
179.03444	3.2
181.01384	13.1
181.06488	2.3
183.07971	2.1
187.04019	2.9
191.03442	2.8
193.01350	4.8
193.06560	2.9
195.02969	2.4
197.06065	4.3
199.07637	2.4
201.05511	2.3
205.01321	5.3
206.02104	2.0
209.05989	4.2
213.05495	2.4
215.06842	2.0
223.07591	2.7
225.05597	3.4
227.03426	2.6
227.06934	2.2
229.04993	4.0
229.60606	2.0
237.05429	6.2
239.03302	3.1
241.05008	4.7
253.05075	13.3
255.06670	5.7
265.05014	6.9
266.05499	2.3
267.06671	14.9
269.04568	10.1
270.05017	3.0
271.06091	7.0
279.02905	3.3
279.06436	2.6
281.04602	9.7
282.05124	2.3
283.06104	13.7
284.03149	4.9
285.03973	13.1
287.05774	2.6
295.02780	1.9
295.06091	31.2
296.06439	3.6
297.04001	11.5
297.06937	2.0
298.04776	4.3
299.05573	13.3
307.06027	3.5
309.04047	11.9
310.04340	2.9
311.05569	6.1
312.05930	1.9
325.07187	4.8
327.05130	45.8
328.05420	6.4
329.06549	3.5
339.05179	3.4
353.06555	4.1
357.06055	18.7
358.06561	2.9
369.06088	4.0
383.07498	4.3
401.10706	2.4
411.06866	4.3
419.11792	18.2
420.12222	2.7
431.09955	3.1
447.11365	8.2
461.14337	1.8
473.10825	4.3
540.82043	2.1
549.16083	3.3
565.15643	9.6
575.13971	19.9
576.14349	5.6
593.15070	100.0
593.31128	6.2
594.15363	21.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.151
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	1.8
59.01251	15.4
63.29627	1.3
69.22183	4.8
69.22606	7.9
71.01257	6.6
72.99171	6.5
73.02810	2.7
83.01254	1.6
85.02824	4.3
86.63525	1.5
87.42976	1.8
89.02330	3.0
101.02312	4.4
108.03925	1.5
109.02811	1.9
111.17940	1.4
113.02327	3.8
119.03336	1.5
121.02827	2.2
133.02838	22.0
149.02309	1.7
161.02341	4.9
161.04465	2.0
163.00308	6.6
175.03900	4.5
177.01813	3.1
179.07083	2.5
193.04956	2.3
199.03821	2.7
201.01831	4.0
202.99794	1.7
225.05576	2.9
253.05069	1.8
269.04489	4.0
274.08145	1.6
284.03317	4.1
285.04050	39.7
285.07190	2.6
286.04535	2.5
293.04800	1.8
297.00671	3.0
297.04013	50.2
298.04791	55.2
299.05441	7.2
309.04077	16.7
310.04568	2.5
311.02112	2.7
311.05569	15.7
312.06067	3.5
313.03540	32.0
314.03952	3.5
321.04074	2.6
324.02982	1.7
325.03500	13.6
326.03949	3.0
327.05042	16.3
330.03860	2.6
337.03525	33.0
337.07529	2.1
338.03964	5.9
339.05142	7.0
353.03040	2.0
355.04483	2.8
357.06186	3.3
366.03802	2.2
367.04419	3.7
367.08368	2.3
393.06152	5.2
411.07193	100.0
412.07562	14.5
429.08005	5.4
473.11026	13.2
474.11169	2.4
557.12164	2.1
575.14032	28.3
576.14368	5.1
593.15088	52.2
594.15265	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	593.151
Annotation	Unknow
Peak:m/z	Relative Intensity
54.01362	0.5
67.84563	0.6
70.42240	1.4
93.03333	1.3
98.20340	1.1
110.79475	0.5
117.03345	4.4
119.04862	1.2
121.02847	0.6
131.04855	0.7
135.04361	2.3
161.02333	1.8
161.17535	0.6
163.03908	1.1
173.06146	0.7
175.03920	1.4
177.01776	0.7
177.05424	1.1
179.03395	0.8
189.05406	0.7
191.03398	1.5
203.03377	1.6
233.04535	1.2
234.82068	0.6
251.07236	0.7
253.08519	0.7
263.05426	0.6
268.07483	0.7
270.17639	0.6
281.04645	1.2
282.05215	1.3
283.06046	2.7
295.06128	3.4
296.06750	2.8
297.07657	19.5
298.07959	1.6
307.06061	1.7
309.07684	2.2
311.05682	1.8
321.22830	0.7
323.05692	4.1
324.06259	1.5
325.07095	8.3
326.07501	1.6
328.05978	2.7
335.05746	2.0
337.07205	2.3
351.05182	0.9
353.06641	50.6
354.06946	5.1
355.08157	1.4
356.05466	1.2
365.06708	4.5
366.06909	1.1
381.05902	0.9
382.06506	0.6
383.07730	25.9
384.07980	3.3
395.07660	4.2
397.09061	0.7
413.08920	2.5
425.08542	1.3
437.08524	0.8
441.77393	0.6
455.10159	0.8
473.10843	15.2
474.11099	1.7
503.12109	3.7
504.12494	0.7
575.13928	0.9
593.15100	100.0
594.06458	1.0
594.15460	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	593.1508
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92542	0.4
59.79044	0.4
60.29805	0.4
60.59474	0.4
63.02260	0.9
65.00201	1.3
69.15453	1.5
69.15874	3.1
69.73927	0.3
83.01225	0.5
105.03368	0.5
107.01274	2.0
109.02819	0.9
121.02802	0.5
125.02331	0.7
131.20866	0.4
133.02846	4.6
134.03564	0.4
149.02357	1.9
151.00261	3.6
153.65451	0.4
158.83931	0.4
165.01810	0.6
175.03819	1.9
177.01781	0.7
199.03920	2.2
201.01941	0.9
213.05556	0.6
215.03668	0.4
217.05046	1.4
227.03479	0.6
234.96468	0.4
241.05132	1.0
243.02911	0.7
255.02942	0.5
256.03708	1.5
257.04410	0.6
261.52649	0.4
269.04498	0.6
283.02460	0.4
284.00009	0.7
284.03232	17.0
285.04025	100.0
286.04370	7.2
297.04193	0.7
327.05200	2.5
357.05850	0.8
593.15070	44.3
594.15515	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	593.1509
Annotation	Unknow
Peak:m/z	Relative Intensity
58.23627	1.0
59.01244	1.3
70.98490	1.7
73.14591	1.0
107.01245	1.3
109.02827	3.1
115.37884	1.0
121.02840	1.4
122.76788	1.0
125.02334	0.8
131.01265	0.9
133.02846	19.6
134.03287	1.0
135.00754	1.2
135.04416	3.3
137.02319	1.2
147.04384	1.1
149.02353	2.1
151.03938	1.3
161.02306	1.6
163.00244	2.9
163.03902	2.8
165.01836	3.3
175.00291	2.0
175.03833	5.3
177.01849	3.2
178.99773	4.5
191.03418	2.4
192.72751	0.9
199.03900	1.7
201.01877	3.1
203.03470	1.2
211.03987	1.6
213.05629	2.2
217.04955	1.2
225.05516	1.7
240.04131	1.2
241.05103	1.6
243.02844	1.2
253.05107	2.1
255.02986	1.2
255.06528	1.4
257.04437	1.5
265.05234	1.0
267.02917	1.6
269.04538	2.8
281.04550	1.5
284.03271	7.4
285.04071	14.7
286.04318	1.7
297.04068	19.5
297.07556	1.1
298.04831	21.1
299.05548	34.8
300.05896	3.4
309.03998	13.1
310.04398	1.4
311.01999	4.1
311.05594	7.1
312.06229	1.5
313.03558	32.2
313.07043	2.5
314.03900	4.1
325.03568	1.6
325.07138	1.4
327.05066	92.7
328.05472	10.8
330.03735	1.3
339.05014	13.7
341.06674	3.8
353.06601	3.5
357.06104	31.6
358.06406	3.5
369.06122	11.9
370.06412	1.2
381.06119	1.2
383.07739	3.6
399.07080	6.7
400.07675	1.1
411.07343	3.1
413.08771	2.1
429.08398	4.9
431.09805	24.8
432.10123	3.0
473.10886	7.4
474.10928	1.6
489.10300	4.1
503.11887	3.1
571.74854	1.0
575.13446	1.2
593.15082	100.0
594.15479	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	593.151
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01228	3.2
63.24481	1.1
67.38599	1.3
69.20052	5.8
69.20474	7.1
79.01793	1.7
93.03306	2.3
96.60349	1.3
97.02829	1.7
105.01294	1.3
109.02808	5.2
109.29285	1.4
117.03333	4.2
119.04921	1.3
125.02370	2.4
133.02840	18.2
134.03572	1.8
135.04391	3.9
149.02318	2.9
161.02328	5.0
163.00267	4.4
163.03879	3.2
165.01831	4.4
175.03905	6.3
176.23424	1.3
177.01811	5.0
191.03421	2.5
193.01268	2.5
199.03917	4.0
201.01924	2.9
203.03412	1.8
205.01369	2.0
207.02966	1.5
225.05594	1.9
227.03656	1.4
241.05034	2.1
254.05727	1.4
255.02953	6.6
269.04495	7.6
281.04608	1.8
282.05212	2.7
283.02991	2.1
283.05972	8.2
284.03278	10.9
285.04010	13.9
286.04343	1.4
293.04462	1.8
295.06012	5.8
296.06604	3.0
297.04022	32.2
297.07642	7.1
298.04822	31.4
299.05496	22.4
300.05859	3.7
309.03976	5.4
309.07330	2.0
310.04718	2.3
311.05576	13.3
312.06161	2.2
323.05505	8.7
324.02768	3.0
325.03604	1.9
325.07169	5.8
326.04398	2.2
327.05069	80.5
328.05511	11.8
335.05582	1.5
337.06897	2.1
339.05099	12.7
341.06604	9.7
351.05103	5.8
353.06537	13.7
354.07196	1.8
356.05359	5.6
357.06131	52.7
358.06448	5.9
367.08316	1.6
369.06110	27.5
370.06491	2.7
377.06616	4.6
381.06155	3.1
383.07730	6.6
395.07455	8.6
399.07242	7.7
413.08731	19.9
414.08719	2.4
429.08261	1.6
431.09763	28.2
432.10092	5.1
473.10809	5.9
489.10278	18.9
507.10690	2.8
519.11743	6.3
557.12347	2.2
575.14050	37.9
576.14142	8.3
593.15051	100.0
594.15369	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	593.1511
Annotation	Unknow
Peak:m/z	Relative Intensity
55.40822	0.8
59.01263	0.7
71.30069	1.7
78.21398	0.8
79.01778	0.9
92.34869	0.8
93.03342	1.2
117.03347	4.0
122.08595	0.8
134.03610	1.4
135.04427	2.2
144.80341	0.8
147.04494	0.7
149.02330	1.4
161.02347	1.8
163.03929	1.2
175.04001	1.8
177.01912	1.2
177.05452	1.7
178.02559	0.9
189.01790	1.5
191.03383	0.8
193.04993	2.6
233.04431	0.9
267.06662	1.1
282.05249	2.2
283.06198	4.5
295.06070	2.9
296.06674	1.8
297.07648	17.6
298.08017	1.7
307.06131	2.3
309.07758	2.1
311.05612	2.7
323.05585	2.8
324.06256	1.5
325.07150	6.9
326.07440	1.1
326.29105	0.8
328.05930	2.9
335.05609	1.4
337.07156	2.0
353.06668	35.0
354.06894	3.5
355.08298	1.1
356.05307	0.9
365.06573	3.8
367.08322	1.1
383.07715	19.8
384.08051	3.4
395.07678	2.3
413.08667	2.0
455.09964	0.9
473.10934	14.4
474.11145	2.1
503.12094	3.6
565.71362	1.0
575.14526	1.2
593.15100	100.0
594.15533	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	593.1508
Annotation	Unknow
Peak:m/z	Relative Intensity
71.19128	2.0
81.19432	0.8
99.09525	0.9
109.02812	2.3
133.02840	13.3
134.03604	1.2
135.04424	2.3
144.47002	0.8
149.02226	1.1
151.03902	1.4
161.02388	1.8
161.05907	1.1
163.03877	1.6
175.03918	4.1
177.01828	2.6
177.05510	2.0
179.03465	1.4
187.03911	0.9
191.03386	1.8
201.01842	1.4
203.03448	2.5
205.01308	1.2
205.05064	1.1
217.04967	0.9
233.04504	1.6
237.05566	1.0
239.07011	1.5
254.46210	1.0
255.06660	1.8
265.05093	1.0
267.06436	0.9
270.04877	1.1
283.06030	1.8
297.04092	4.4
298.04822	12.6
299.05612	5.9
300.05920	1.4
309.04138	2.2
310.04822	2.3
311.05600	11.1
312.06342	13.3
313.07077	14.0
314.07550	1.0
323.05692	2.1
325.07175	1.7
327.05099	11.8
328.05576	1.2
334.56232	0.9
339.05078	23.1
340.05453	2.9
341.06613	12.1
342.06973	1.3
344.05579	1.3
351.04971	2.1
353.06757	6.0
357.06161	3.8
367.04605	1.4
369.06131	83.4
370.06470	9.0
371.07693	2.6
381.06046	9.6
382.06534	1.5
383.07394	2.0
399.07187	52.9
400.07660	5.5
411.07089	9.4
412.07556	1.2
413.08896	1.8
429.08234	7.9
441.08197	3.7
471.03690	0.9
471.08994	4.1
473.10901	9.5
489.10394	25.3
490.10788	2.3
501.10666	1.1
503.11887	6.1
504.12280	1.2
519.11414	3.8
575.13831	3.1
593.15088	100.0
594.15491	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	592.2971
Annotation	Unknow
Peak:m/z	Relative Intensity
57.99659	0.2
59.06890	0.2
61.98698	100.0
62.42145	0.2
62.98396	0.3
70.05288	0.5
70.05675	0.7
70.11977	0.2
71.01228	0.4
79.95600	0.5
80.96373	2.8
85.90111	0.3
93.45011	0.2
94.97965	0.6
98.20419	0.3
152.98509	0.4
164.98589	0.6
165.62543	0.3
225.00827	0.5
269.12149	0.3
285.04117	0.4
287.54156	0.3
297.04456	0.2
353.06689	0.3
374.61453	0.3
375.21735	0.2
395.53387	0.2
416.07510	0.3
505.09241	0.2
506.10611	0.2
592.24786	3.6
593.15277	1.2
593.26215	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	591.2612
Annotation	Pheophorbide a
Peak:m/z	Relative Intensity
61.28867	1.8
70.72948	4.1
70.73311	3.1
74.45577	2.1
74.95233	1.7
89.52542	1.7
195.96602	1.9
239.22942	1.7
278.84979	1.9
357.73065	2.1
437.46350	1.9
443.22308	2.2
482.20874	2.4
487.24982	5.6
499.21848	3.2
500.22137	15.4
501.22577	3.6
515.24493	100.0
516.24957	21.9
559.23151	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.3747
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	16.0
59.78835	0.6
61.98704	1.8
70.48048	2.6
71.01250	2.3
73.02814	0.9
87.00717	0.9
89.02309	2.5
101.02332	2.9
113.02313	1.3
119.03321	0.9
119.24299	0.6
159.07375	0.7
161.04463	1.2
168.58781	0.6
235.08260	1.6
253.09268	15.2
254.09726	0.9
256.72128	0.7
295.26404	100.0
296.26758	12.8
353.71317	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.3899
Annotation	Irumanolide II
Peak:m/z	Relative Intensity
50.10286	1.2
53.35458	1.1
56.84245	1.2
59.01236	3.6
69.61781	7.9
93.35454	1.2
97.04772	1.0
101.35962	1.1
117.03337	1.6
133.02849	25.6
134.03674	6.2
135.04417	19.0
137.02342	3.2
161.02347	100.0
162.02679	4.9
179.03413	3.8
255.23242	3.4
355.32275	6.0
431.34872	6.2
451.61652	1.4
463.94620	1.3
499.34232	27.7
500.34882	5.9
517.35223	10.6
518.35504	2.4
575.79102	1.2
591.38983	65.2
592.39502	13.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.2479
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	2.0
61.98692	0.5
63.96111	1.3
64.96857	0.3
69.03322	0.5
69.78864	1.8
71.01250	8.2
73.02814	1.8
78.98458	7.0
79.95603	12.4
80.96387	70.1
81.03332	0.7
83.01264	0.4
85.02820	3.6
87.00745	2.7
94.97958	14.8
95.01276	0.6
96.95896	1.2
97.02806	1.7
98.20577	0.3
99.00739	0.9
99.04386	0.4
101.02317	3.7
104.07815	0.3
106.97968	3.5
113.02323	0.7
122.97450	3.3
124.83310	0.3
125.02334	2.5
127.03924	0.7
134.97470	4.9
136.60115	0.3
136.99034	1.1
146.97498	0.5
148.99049	6.1
152.98526	5.2
161.04453	0.5
164.98532	12.2
165.12784	0.9
167.00081	0.6
170.59033	0.3
174.76471	0.3
206.99623	3.0
225.00674	16.0
226.01056	0.9
241.00116	0.4
247.20592	0.5
291.19562	2.1
299.04367	3.5
333.73325	0.3
339.04382	0.4
432.08084	0.3
505.10019	0.4
591.24774	100.0
592.25073	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	591.2478
Annotation	Tiliacorinine 2'-N-oxide
Peak:m/z	Relative Intensity
59.01246	4.3
61.98705	2.3
63.96104	1.7
69.03323	0.8
70.46544	1.5
71.01250	8.3
72.99171	0.6
73.02817	2.0
75.00755	0.7
77.40234	0.5
78.95765	1.0
78.98463	6.4
79.95607	12.2
80.96389	72.8
81.03330	1.1
83.01286	0.5
85.02824	3.3
87.00763	2.8
88.34278	0.4
89.02301	0.6
94.97956	16.6
95.01253	0.7
96.95879	2.1
97.02828	1.8
99.00761	0.8
99.04391	0.5
101.02322	3.6
106.97976	3.2
113.02315	1.3
122.97467	5.8
124.81211	0.5
125.02330	3.6
127.03944	0.9
134.97488	5.7
136.99054	1.5
148.99059	6.8
152.98540	7.4
156.45612	0.5
161.04349	0.5
164.98552	12.6
165.12727	1.3
182.99637	2.6
206.99571	3.5
211.13274	1.8
225.00690	22.5
226.01059	0.6
233.11598	2.8
243.01852	2.3
263.25632	0.5
291.19662	1.9
292.63046	0.6
299.04260	3.1
308.42102	0.4
317.05377	0.8
325.20322	0.9
339.05063	0.5
421.63638	0.5
486.31354	0.6
505.09695	0.7
591.24774	100.0
592.25104	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	591.2478
Annotation	Tiliacorinine 2'-N-oxide
Peak:m/z	Relative Intensity
53.94497	0.5
54.94809	0.5
59.01251	1.1
61.98703	16.0
63.96114	1.3
69.03333	1.0
69.92947	0.7
69.93340	1.1
71.01257	8.6
73.02818	1.1
78.98465	5.8
79.95128	0.7
79.95600	13.6
80.96387	70.5
81.03300	0.7
82.19796	0.4
85.02826	2.6
87.00753	2.4
87.45432	0.5
94.97957	15.3
96.95879	1.6
97.02818	1.4
98.19852	0.5
101.02309	2.4
102.02074	0.5
105.98089	0.4
106.97974	3.4
116.45223	0.5
122.97467	3.6
125.02355	2.7
127.03884	0.8
134.97455	5.3
136.99046	1.3
146.97414	0.5
148.99051	7.0
152.98534	5.8
163.38066	0.4
164.98535	10.7
165.10747	0.5
178.25987	0.5
182.99590	0.7
206.99619	2.8
225.00681	14.9
283.22153	0.6
291.19727	1.3
297.51749	0.5
299.04407	3.4
505.10046	0.8
534.07733	0.5
591.24774	100.0
592.25085	16.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.2084
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01241	20.0
60.39863	4.3
61.98693	10.5
69.59464	21.5
69.59869	9.3
71.01252	11.8
73.02821	8.6
98.19897	8.7
101.02308	15.5
102.30649	4.4
117.52905	4.3
121.02868	5.9
133.02863	7.0
136.01544	42.8
137.02347	8.0
151.00337	6.1
151.03908	54.9
166.02649	26.0
166.03873	5.1
177.01849	4.5
181.05029	31.7
222.24254	4.5
280.07321	6.5
283.09760	4.5
297.04041	5.9
298.04874	5.2
308.06744	8.7
309.07382	6.3
323.09311	10.2
325.10492	5.2
338.11456	5.1
339.08609	33.5
344.35818	4.1
354.10950	10.3
357.09760	14.3
367.15427	5.8
369.13391	47.4
370.13644	9.6
372.12155	7.5
387.14484	100.0
388.14709	12.2
478.09497	15.0
519.73029	5.1
547.27032	5.3
564.13300	9.7
591.14612	7.1
607.22052	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	591.2479
Annotation	Tiliacorinine 2'-N-oxide
Peak:m/z	Relative Intensity
59.01247	1.3
61.98700	51.3
69.03328	0.5
70.59727	0.7
70.60059	0.9
71.01247	7.5
72.99171	1.1
73.02811	1.9
78.98460	6.3
79.95604	12.5
80.96385	70.9
81.03318	1.2
85.02812	3.6
87.00735	2.9
94.97962	16.0
96.95891	1.5
97.02840	1.8
101.02335	3.5
106.97961	3.1
110.39085	0.6
122.97469	5.2
125.02310	2.3
127.03922	1.2
134.97453	4.5
136.99014	0.9
145.04887	0.6
148.99043	5.8
150.86116	0.5
152.98526	6.5
164.98540	13.0
167.00139	0.9
175.71590	0.5
182.99617	2.0
202.49152	0.6
206.99646	2.2
225.00684	17.8
226.01015	0.8
243.01727	1.7
253.87083	0.6
291.19583	1.5
299.04535	3.0
404.24435	0.6
505.09854	1.2
574.21991	1.0
591.24786	100.0
592.25073	19.1
592.34558	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.1718
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99249	1.1
57.03304	1.8
57.59138	1.0
57.66298	0.8
58.00470	2.1
59.01247	65.3
61.98696	2.3
67.23036	0.8
69.30228	0.9
69.35847	4.2
69.36274	4.0
69.56818	1.0
71.01251	22.2
72.99184	4.4
73.02818	10.3
75.00755	2.1
75.29856	1.0
83.01266	3.8
85.02814	10.9
87.00757	2.6
89.02322	10.5
93.53436	1.0
96.95890	2.9
99.00762	1.6
101.02315	13.4
103.03880	4.4
109.02837	1.7
113.02323	3.1
119.03424	2.9
120.99493	1.4
125.02309	1.1
133.02826	7.9
135.04381	1.6
149.02341	2.7
151.00337	1.6
151.03885	3.1
153.09142	1.9
161.02402	1.2
161.04387	1.2
163.00299	2.8
163.06027	1.0
165.01816	1.3
175.00302	1.9
175.03864	1.7
177.01834	2.4
179.05521	2.3
181.05040	1.6
193.01344	2.5
197.05920	1.2
201.01837	1.6
202.99844	1.0
205.01266	1.1
213.05437	1.1
225.05664	1.0
225.14819	1.9
227.03500	1.0
249.03908	1.2
253.05113	1.0
257.04340	1.2
265.05026	1.7
268.03735	1.2
269.04541	3.9
279.02997	1.7
280.03699	5.4
281.04422	1.8
283.06128	3.0
284.03256	5.0
285.04037	4.2
293.04419	1.7
296.03394	1.2
297.04025	13.0
298.04742	13.7
299.05527	10.6
301.03506	4.5
307.02441	1.8
308.03241	22.6
309.03897	9.2
310.04880	2.9
311.05502	9.2
312.06256	4.0
313.03494	3.5
313.07117	2.6
314.03906	1.2
323.05569	35.0
324.05981	3.3
325.03488	4.6
325.06946	2.3
326.04236	1.9
327.05060	16.5
328.05338	2.1
337.03430	1.5
338.04175	2.2
339.05048	7.5
340.05493	1.8
341.03058	1.4
341.06650	8.7
343.04456	2.7
344.05368	3.0
351.04874	1.2
353.02948	1.7
353.06671	7.3
355.04514	6.0
365.06738	3.3
367.04425	4.5
369.06067	3.6
369.22812	7.0
371.07690	9.4
383.04007	3.8
383.08072	2.5
384.04126	1.0
385.05487	4.8
387.14471	1.5
393.05960	1.3
399.06735	1.7
409.05551	1.4
411.07098	2.2
412.07819	6.0
415.06656	1.9
427.10382	57.3
428.10886	4.9
429.07758	1.7
445.11139	1.7
447.09244	1.5
453.24908	1.3
469.07626	2.4
471.09155	2.0
473.11124	4.6
487.08142	15.3
488.09061	1.8
489.10275	3.1
501.10522	1.2
505.09866	20.2
506.10217	3.5
531.27966	1.7
547.27295	1.7
555.11243	1.4
573.12640	4.1
591.17035	100.0
591.30084	39.1
592.17615	14.4
592.30518	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	591.1354
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	0.2
57.03287	0.2
59.01252	0.5
71.01247	1.6
71.50856	0.3
73.02802	0.3
75.00734	0.4
79.01759	1.0
81.03339	0.3
83.01254	0.6
89.02290	0.5
91.05410	0.3
93.03327	0.4
95.01270	0.6
96.95840	0.2
97.02769	0.2
97.54832	0.2
99.00739	0.3
101.02348	0.3
105.03350	0.3
107.01252	0.9
107.04951	0.3
108.02015	0.3
109.02830	5.3
112.07308	0.2
112.24453	0.2
113.02276	0.2
117.03345	0.4
119.04897	0.8
121.02833	1.0
123.00756	0.4
123.04442	0.4
125.02310	0.6
131.04929	0.5
132.02092	0.5
132.84789	0.2
133.02837	20.1
133.06450	0.4
134.03555	1.5
135.04405	3.1
136.01517	0.3
137.02310	0.8
137.05904	0.3
143.04980	0.3
145.02861	0.4
147.04404	1.4
149.02333	2.3
149.05951	1.0
150.03091	0.5
151.03865	1.4
159.04407	0.8
161.02350	2.4
161.04602	0.2
161.06010	0.6
162.03056	0.5
163.00252	1.1
163.03918	1.9
164.01059	0.4
165.01816	1.3
167.03413	0.5
171.04373	0.3
173.02309	0.7
173.05936	0.3
174.03101	0.8
175.03928	5.8
176.01003	0.5
177.01852	4.5
177.05472	2.1
179.03383	1.6
183.04408	0.3
185.02303	0.7
185.05966	0.5
186.03021	0.2
187.03914	1.0
188.04570	0.2
189.01860	2.1
189.05470	1.2
190.02635	0.5
191.03413	1.8
193.01344	0.4
197.05934	0.3
198.03093	0.4
199.03955	1.2
199.07498	0.3
200.04356	0.2
201.01834	2.9
201.05528	0.4
202.02498	0.4
203.03406	3.5
203.07036	0.2
204.00607	0.5
204.04044	0.3
205.01347	2.6
205.04980	1.2
206.01733	0.3
207.02850	1.1
209.05957	0.9
211.03931	0.9
211.07617	0.4
212.04710	0.3
213.01830	0.4
213.05516	1.3
214.02707	0.4
215.03488	1.1
217.01283	0.5
217.05023	0.7
219.02882	1.4
221.04369	0.5
224.04794	0.3
225.05539	1.6
225.09250	0.3
226.02556	0.5
226.06284	0.5
227.03442	0.7
227.07022	0.4
228.04036	0.4
229.01463	0.2
229.05043	0.9
230.02031	0.3
231.02946	1.4
231.06583	0.4
232.03511	0.3
233.00848	0.6
233.04282	1.2
235.02422	0.8
237.05644	0.7
238.06348	0.6
239.03485	0.4
239.07121	1.4
240.04190	0.8
240.07761	0.3
241.05011	1.7
242.02068	0.3
243.02957	0.8
243.06633	0.4
245.00853	0.3
245.04510	0.9
247.06099	1.2
249.03955	0.9
249.06056	0.3
251.07127	0.5
252.04216	0.4
252.07413	0.3
253.05038	1.6
254.05699	1.2
255.02963	1.5
255.06525	1.0
257.04471	0.7
259.06213	0.3
261.04111	0.7
264.04263	0.5
265.05136	1.6
266.05991	0.4
267.02911	0.3
267.06580	1.8
268.03818	0.4
268.06778	0.2
269.04446	1.3
270.05368	0.7
271.06119	0.6
273.03827	0.4
275.05621	2.9
278.05811	0.3
279.05075	0.4
280.03677	0.4
281.04498	1.5
282.05347	1.1
283.02863	0.5
283.06006	2.5
284.03308	0.9
284.06427	0.4
285.04037	2.6
285.07288	0.4
286.04791	0.3
287.02347	0.4
287.05670	0.5
289.07062	0.4
291.06790	0.2
293.04602	1.6
294.05072	0.3
295.05988	1.8
297.04041	7.3
297.07458	0.4
298.04797	11.8
299.05566	12.6
300.05917	1.2
305.06662	1.0
307.05911	0.3
309.04062	3.0
309.07401	0.5
310.04675	2.5
311.05591	12.1
312.06314	10.0
313.03751	0.5
313.07126	11.7
314.07571	0.8
317.06729	2.2
318.06671	0.3
321.04041	0.7
322.04681	0.4
323.05511	3.4
324.02676	0.6
324.06107	0.7
325.03473	1.9
325.07162	2.3
326.04153	0.6
327.05066	20.8
328.05435	2.2
329.06647	0.7
330.03696	0.8
335.05426	0.3
336.06229	0.3
337.03531	1.1
337.07205	0.6
338.04233	1.7
339.05051	24.6
340.05472	2.9
341.06625	9.4
341.10760	0.5
342.03442	0.4
342.06921	0.9
343.04611	1.6
344.05289	1.1
347.07791	1.1
349.03558	0.3
351.05011	2.4
353.03323	0.2
353.06601	5.7
354.07101	0.5
355.04477	3.3
355.08286	0.4
356.05194	0.5
357.06110	7.8
358.06610	0.8
363.04968	0.4
365.06595	0.7
367.04529	9.8
368.05029	1.5
369.06110	44.7
370.06570	4.1
371.07782	1.8
373.05399	0.3
379.04306	1.2
381.06168	4.8
382.06378	0.7
383.07864	1.3
385.05603	22.3
386.05948	2.2
393.06131	0.7
394.07217	0.3
395.09909	3.2
396.10226	0.4
397.05545	8.0
398.05939	1.0
399.07181	20.4
400.07382	2.6
405.06085	0.5
407.07684	0.5
409.05463	0.7
411.07053	2.9
412.07343	0.3
413.09088	0.4
415.06674	18.1
416.07123	2.2
423.07306	0.4
425.08759	0.6
427.06494	1.7
429.08347	1.6
435.07135	0.8
437.10886	3.4
438.11346	0.4
439.06418	0.3
441.08200	1.0
445.07651	1.2
447.09283	12.2
448.09674	1.2
453.08292	2.6
454.08588	0.4
455.09860	0.4
457.07654	0.6
458.07809	0.3
459.09235	1.3
463.08740	3.8
464.09052	0.6
465.08493	0.5
469.07742	0.6
471.09219	3.7
472.09567	0.8
475.08813	2.4
483.09473	1.3
487.01587	0.3
487.08786	10.5
488.09271	2.8
489.10342	50.2
490.10663	7.6
499.08667	0.3
501.10464	1.1
505.09845	100.0
506.10172	14.1
506.17770	0.5
517.09729	0.7
519.11560	0.9
545.13019	1.3
547.11053	0.8
555.11365	1.3
556.11877	0.4
573.12433	13.7
574.12927	1.5
591.04163	0.5
591.13538	8.9
592.14038	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	591.1354
Annotation	Unknow
Peak:m/z	Relative Intensity
55.85935	0.6
61.59969	0.5
71.27260	0.7
71.27592	1.0
72.59795	0.6
81.44133	0.6
85.50740	0.6
98.20496	0.8
109.02846	0.9
130.02374	0.5
133.02826	4.6
149.02411	0.7
175.03896	1.3
177.01860	1.2
201.01801	1.0
203.03555	0.9
205.01459	1.0
213.05333	0.7
230.02014	0.6
233.00525	0.6
247.58789	0.7
249.03847	0.6
253.04781	0.5
254.40903	0.6
267.06400	0.6
283.06131	0.6
293.04535	0.6
295.06119	0.9
297.04111	1.4
298.04761	1.5
299.05545	3.5
309.03989	0.6
310.04700	0.7
311.05438	4.1
312.06323	0.8
313.07278	3.5
325.03656	0.8
325.07166	0.8
327.05026	3.6
337.03473	0.9
339.05099	10.4
340.05310	0.7
341.06586	2.4
351.04968	0.9
353.06635	1.0
355.04584	1.1
357.06064	1.7
367.04520	8.0
368.04953	0.6
369.06146	5.2
370.06351	0.8
379.04361	0.8
381.06311	0.7
383.03976	0.7
385.05588	11.6
386.06201	1.3
397.05621	4.2
398.05936	0.7
399.07095	1.0
409.05478	0.7
415.06604	8.4
416.07156	1.1
422.27899	0.7
427.06717	1.0
471.08786	0.6
487.08783	3.3
489.10379	0.7
505.09872	100.0
506.10190	14.8
573.12604	0.6
591.13556	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	591.1355
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21726	5.8
71.01291	5.3
71.06707	15.0
73.96914	6.2
95.01262	7.5
109.02820	36.0
121.02818	10.9
132.92259	6.2
133.02858	78.6
135.04388	9.9
147.04366	7.1
149.02309	10.6
163.03868	8.5
164.07022	9.9
173.71884	6.4
175.03937	21.6
177.01855	11.5
177.05440	6.7
183.10966	5.9
189.01810	7.5
189.05429	5.5
191.03416	9.3
193.05109	6.5
199.03767	6.9
201.01897	12.4
201.05455	5.9
203.03453	9.7
204.36354	5.9
205.01341	12.0
217.04924	9.4
225.05513	7.3
226.97543	7.0
227.02940	6.0
229.01402	7.3
233.04451	8.2
245.04453	11.5
247.06053	14.3
253.05067	7.1
269.04257	7.6
274.14072	7.0
275.05615	43.5
281.04330	6.9
285.04080	13.2
289.07037	11.5
297.04041	16.7
298.04709	20.9
299.05640	59.2
305.06445	15.3
309.03918	7.5
310.04425	8.5
311.05667	24.5
312.06436	16.0
313.03687	11.4
313.07135	12.5
317.06522	31.4
318.06760	7.3
321.04108	8.5
323.05637	9.4
327.05063	48.4
328.05322	10.2
339.05124	43.8
343.04565	12.1
347.07568	16.1
353.02765	9.7
353.06857	14.3
357.06064	22.4
367.04553	18.5
369.06152	23.5
381.05917	10.1
395.10019	33.8
397.05579	20.0
399.07037	12.3
425.08731	18.5
427.06433	12.2
437.10599	37.4
447.09387	20.2
453.07950	11.6
463.08875	54.9
487.08792	42.6
489.10361	17.5
501.10495	17.6
517.09961	64.7
518.10010	14.3
545.12897	68.4
546.13513	15.4
547.10712	28.0
555.10986	9.1
573.12482	100.0
574.13080	11.5
591.13867	16.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.1357
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03919	0.3
57.93362	0.3
59.01242	0.8
63.24340	0.2
67.59200	0.2
71.01246	1.2
71.08199	0.3
75.00765	0.4
79.01745	0.5
83.01265	0.6
85.02802	0.4
87.00778	0.3
89.02310	0.4
89.68439	0.3
95.01278	0.3
99.00742	0.4
101.02357	0.5
101.31860	0.3
107.01261	0.3
108.31839	0.3
109.02837	2.1
115.98576	0.3
119.04877	0.5
121.02882	0.5
130.25574	0.3
133.02843	11.0
134.03566	0.9
135.04459	1.4
136.04840	0.3
137.02310	0.4
145.02856	0.3
147.04367	0.6
149.02309	1.0
149.05994	0.7
151.03894	0.9
152.10796	0.3
159.04477	0.5
161.02354	1.0
161.05991	0.3
163.00273	0.8
163.03915	0.9
165.01842	0.6
173.02417	0.5
175.03902	3.6
177.01845	2.8
177.05466	0.9
178.02208	0.4
179.03314	0.7
187.03899	0.5
189.01811	0.8
189.05429	0.6
191.03407	1.1
199.03883	0.5
201.01880	1.7
202.02679	0.4
203.03500	1.9
205.01378	1.3
207.02910	0.7
211.03990	0.4
213.05542	0.4
215.03355	0.4
217.04997	0.6
219.02928	0.6
224.04688	0.4
225.05528	0.7
227.03406	0.6
231.02911	0.6
233.00757	0.6
233.04486	0.6
235.02394	0.3
237.05721	0.4
238.06149	0.4
239.07162	0.6
240.03981	0.3
241.05058	0.9
245.04507	0.3
249.03818	0.7
249.57568	0.3
251.06952	0.3
252.04262	0.5
253.05019	0.4
254.05731	0.4
255.02866	0.3
255.06659	0.5
257.04547	0.6
261.04037	0.7
265.05008	0.8
267.06641	1.2
268.03760	0.3
269.04425	0.9
279.05228	0.5
281.04514	1.0
281.07730	0.3
282.05191	0.6
283.06125	1.7
284.03323	0.5
285.04120	1.5
293.04526	0.6
294.05118	0.4
295.06241	0.9
296.03366	0.5
297.04053	4.3
298.04785	5.1
299.05542	6.2
300.05963	0.5
309.04092	1.7
310.04709	1.7
311.05560	7.1
312.06308	5.5
313.03589	0.5
313.07111	7.5
314.07495	0.8
321.03922	0.4
323.05554	1.6
324.02618	0.7
324.06171	0.5
325.03421	1.4
325.07208	1.1
326.04102	0.4
327.05069	7.9
328.05252	0.9
330.03683	0.5
337.03430	0.9
338.04218	1.9
339.05069	17.8
340.05469	2.0
341.06699	5.6
342.07083	0.6
343.04407	0.6
344.05261	0.8
351.04993	1.5
353.06650	2.8
354.06912	0.5
355.04507	2.3
356.05209	0.3
357.06256	2.5
358.06418	0.4
367.04538	9.6
367.08047	0.4
368.04822	0.9
369.06131	22.2
370.06573	2.7
371.07608	1.3
379.04526	0.6
381.06015	2.2
382.06461	0.3
383.07788	0.6
385.05634	16.9
386.05933	2.0
393.05801	0.3
395.07977	0.3
397.05591	6.4
397.10452	0.5
398.05942	1.0
399.07202	9.9
400.07526	1.3
409.05579	0.6
411.07346	1.8
415.06726	12.3
416.07272	1.4
427.06476	1.7
429.08191	1.4
430.67358	0.3
435.07291	0.4
441.08362	0.5
445.07574	0.6
457.07904	0.4
459.09106	0.6
469.07715	0.7
471.09271	2.2
487.08777	6.8
488.09274	1.8
489.10373	21.1
490.10748	3.6
501.10382	0.7
505.09863	100.0
506.10196	13.6
555.12457	0.4
573.12787	1.3
591.13531	6.3
592.14160	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	591.1353
Annotation	Unknow
Peak:m/z	Relative Intensity
58.28376	1.0
59.01247	2.8
63.48026	1.4
67.01762	1.3
70.57683	4.0
71.01252	2.5
71.15797	1.2
83.01240	2.0
89.02333	1.3
109.02826	9.6
121.02785	1.5
133.02834	26.5
133.03821	1.5
134.03625	1.6
135.04390	3.6
139.17726	1.2
147.04443	1.7
149.02280	2.9
149.23335	1.1
151.03827	1.6
159.04517	1.2
161.02338	3.0
163.03894	2.4
165.01872	1.5
174.03130	2.2
175.03864	7.7
177.01822	5.3
177.05515	1.8
179.03403	1.6
185.02289	1.3
191.03381	3.1
201.01874	5.7
203.03362	3.7
205.01312	2.8
207.02834	1.6
209.06053	1.5
211.03912	2.5
213.05562	1.7
217.01385	1.4
217.04849	1.1
219.02911	3.5
225.05423	2.9
227.03407	1.7
230.01921	1.4
231.02960	1.9
233.04427	1.6
239.07033	2.4
240.04193	1.7
241.05075	1.9
243.02824	1.7
245.04459	2.2
247.06046	5.3
253.05013	3.2
255.03052	1.6
255.06566	2.1
257.04459	1.9
261.04037	2.4
265.05048	2.0
266.05664	1.2
267.06601	2.9
267.29688	1.3
268.03738	1.6
269.04495	1.5
270.05249	1.4
271.05957	2.2
275.05600	13.4
281.04480	2.9
282.04904	1.4
283.06097	3.7
284.06705	1.4
285.04089	5.9
287.05423	2.0
293.04337	1.7
295.06192	1.9
297.04071	12.2
298.04828	15.5
299.05569	32.2
300.05978	1.9
305.06750	7.2
309.04010	7.3
310.04767	2.9
311.05551	16.8
312.06277	7.6
313.07047	11.3
317.06616	8.9
318.07327	1.4
323.05554	4.6
324.02689	1.9
324.06149	1.4
325.03387	5.1
325.07263	3.2
327.05069	63.0
328.05313	6.4
329.06412	2.2
330.03616	1.7
335.05399	1.6
337.03607	2.4
338.04239	1.9
339.05057	40.7
340.05264	4.5
341.06601	11.1
342.07132	1.5
343.04550	6.8
347.07565	3.9
351.05023	4.2
353.02875	2.3
353.06583	9.2
355.04437	14.0
356.04922	2.6
357.06119	26.0
358.06497	2.3
365.06494	2.7
367.04517	20.2
368.04950	2.1
369.06113	45.1
370.06363	5.3
371.07645	3.2
379.04630	3.4
381.05975	7.6
383.07745	3.9
385.05618	24.1
386.06015	3.3
393.06219	1.7
395.09891	15.3
396.09970	1.3
397.05502	15.8
397.09750	1.7
398.05881	2.6
399.07126	14.4
400.07596	2.7
409.05157	2.2
411.07028	3.2
415.06555	12.2
416.07428	1.4
425.08844	2.1
427.06680	5.3
429.08118	3.8
435.07184	2.7
437.10867	10.5
441.07947	1.4
447.09320	56.5
447.15588	2.7
448.09549	8.5
453.08365	11.0
453.14279	1.8
455.09592	2.1
457.07913	3.2
459.09177	6.0
463.08743	21.2
464.08957	3.8
471.09460	8.1
474.08179	1.7
475.08826	31.6
476.09113	5.6
483.09521	3.5
486.79385	1.5
487.08759	19.7
488.09152	5.1
489.10385	44.4
490.10809	3.5
499.09000	1.9
501.10480	11.7
502.10519	2.0
505.09866	100.0
506.10199	13.7
517.09784	14.9
518.10461	1.8
519.11578	4.0
529.09827	4.0
545.12750	6.4
547.10876	13.8
548.11676	2.1
555.11487	4.7
573.12439	84.7
574.12811	14.3
591.13501	53.4
592.13635	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	591.1355
Annotation	Unknow
Peak:m/z	Relative Intensity
57.30367	1.6
59.01241	4.4
62.57605	1.5
62.91839	1.5
69.34834	1.5
69.35183	13.8
70.52471	1.6
71.01237	4.9
78.03083	1.7
79.01721	2.3
82.10979	1.6
98.20483	3.1
101.02285	2.0
109.02832	9.3
113.02322	2.6
117.03336	1.9
119.04892	1.9
133.02837	36.6
134.03629	3.1
135.04396	5.8
138.25885	1.5
147.04402	2.7
149.02348	3.6
149.06023	1.8
151.03835	1.6
161.02278	2.4
163.00159	1.8
163.03902	4.5
165.01796	3.3
173.02295	2.2
175.03912	13.6
177.01851	8.7
189.01819	2.4
189.05481	3.1
191.03409	4.5
193.01335	1.8
199.04005	2.4
201.01849	6.6
203.03441	7.1
205.01357	5.3
205.04919	1.9
207.02940	2.2
211.03941	1.8
213.05559	2.8
215.03485	4.3
217.04950	2.0
219.02849	3.1
219.06442	1.8
225.05516	2.6
227.03506	2.6
231.02963	2.5
233.04453	3.2
241.04977	2.0
245.04514	3.0
247.06085	5.8
253.05086	2.5
254.05721	1.9
255.02859	2.5
257.04468	3.0
261.04031	2.6
265.04852	2.3
267.06570	3.6
269.04575	2.9
273.03961	2.4
275.05615	14.5
281.04636	3.2
282.05191	2.4
283.06128	4.9
284.03217	2.2
285.04004	7.4
287.05603	2.0
293.04504	2.0
295.06046	1.9
297.03940	11.6
298.04736	19.1
299.05560	44.2
300.05838	3.9
305.06570	6.3
309.03906	5.3
310.04675	5.4
311.05576	24.7
312.06244	11.2
313.07080	14.3
317.06436	8.0
323.05569	7.2
325.03378	4.9
325.07297	4.4
327.05072	71.9
328.05579	8.8
329.06674	3.5
330.03967	2.0
337.03418	2.4
338.04285	3.3
339.05090	44.0
340.05576	4.4
341.06558	11.0
343.04440	4.3
347.07709	8.0
351.04999	5.0
353.06732	11.1
355.04480	8.9
357.06094	28.1
358.06406	4.4
367.04572	17.8
368.04855	2.5
369.06128	42.6
370.06448	5.5
371.07675	2.2
377.08743	2.0
379.04477	5.0
381.06433	8.5
383.07758	5.2
385.05524	20.1
386.06046	3.4
393.06152	2.8
395.09863	15.7
397.05502	12.1
399.07156	15.8
400.07321	2.8
409.05194	3.0
411.07141	4.6
415.06577	10.0
425.08752	2.6
427.06522	2.0
429.08176	3.5
435.07568	2.5
437.10971	12.3
447.09280	53.5
448.09619	5.8
453.08136	9.0
454.08530	2.7
457.07492	3.4
459.09164	5.4
463.08807	14.6
464.08984	3.0
471.09622	7.5
475.08899	17.3
476.09222	3.4
483.09589	3.7
487.08743	12.1
488.09183	3.0
489.10382	30.5
490.10922	3.0
501.10547	8.8
505.09839	100.0
506.10135	10.4
517.09534	8.5
518.09955	2.9
519.11432	2.4
529.09674	3.9
545.13239	3.1
547.10901	5.8
555.11646	4.0
573.12469	67.5
574.13037	11.7
591.13483	30.7
592.14117	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	590.2815
Annotation	Unknow
Peak:m/z	Relative Intensity
55.64737	0.2
59.01243	0.4
61.98701	100.0
69.18291	1.7
71.01234	0.2
78.95786	0.2
80.96378	0.2
96.95937	0.2
98.19840	0.3
114.11679	0.2
137.02402	0.2
138.84331	0.1
142.45105	0.1
187.56639	0.2
254.09747	0.2
291.19669	0.4
292.20062	0.5
293.20386	0.3
294.20480	0.2
311.22043	0.2
505.09888	0.3
591.24841	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	590.2817
Annotation	Unknow
Peak:m/z	Relative Intensity
58.60373	0.3
59.01249	0.5
61.98700	100.0
65.03242	0.3
71.01266	0.5
79.95621	0.9
80.96394	3.3
94.97948	0.8
96.95907	0.7
99.88930	0.4
152.99599	0.4
198.41267	0.4
225.00743	0.7
247.35890	0.4
289.79196	0.4
429.23135	0.5
505.10419	0.5
506.50546	0.4
591.24719	5.6
591.33459	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	590.2884
Annotation	Unknow
Peak:m/z	Relative Intensity
69.18329	100.0
78.95783	14.9
79.48103	9.4
129.28664	8.1
152.99435	19.3
178.38751	9.3
211.07619	8.7
263.46683	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	589.3594
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00953	0.6
59.01246	11.8
71.01230	3.6
71.50651	1.3
73.02798	1.1
74.01817	0.7
78.95754	3.5
79.58057	0.7
89.02306	2.4
96.95881	4.8
96.96823	4.2
101.02303	2.4
101.65310	0.7
103.83736	0.6
110.22667	0.6
113.02320	2.7
119.03362	0.9
147.44662	0.6
152.99394	0.7
161.04468	1.0
221.12012	0.6
235.08127	1.0
253.09235	14.6
254.09647	0.8
255.23419	1.0
277.21692	1.7
293.24847	100.0
294.25208	12.1
479.15192	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.337
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54978	0.8
55.99792	0.9
59.01249	100.0
59.22288	0.8
64.75618	0.8
70.42176	2.0
78.95770	5.4
91.71944	0.9
97.24393	0.9
152.99512	3.6
173.11739	6.4
221.93678	1.0
277.21707	7.6
279.23279	2.3
309.10959	2.2
589.35468	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	589.3225
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	0.8
61.98697	0.3
64.04606	0.2
70.31322	0.7
71.01247	0.4
72.99180	1.6
75.00742	100.0
76.01064	1.2
78.95748	0.3
79.61387	0.2
82.51634	0.2
89.02322	0.4
238.14244	0.3
259.13239	0.2
277.21729	0.5
358.49445	0.3
399.02658	0.2
495.28644	0.3
554.63983	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.2862
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00460	3.0
59.01245	64.9
60.01591	1.2
61.98701	0.6
71.01247	42.4
71.08658	1.3
72.99170	2.4
77.68721	0.6
79.94086	0.6
84.92146	0.8
85.02821	7.3
87.00739	3.4
87.04324	0.7
89.02310	70.2
90.02644	1.0
95.01251	2.3
101.02319	18.9
107.03327	1.4
111.51839	0.7
113.02321	15.6
113.05978	0.7
114.02687	0.9
119.03386	28.9
128.48900	0.7
131.03407	3.6
143.03391	8.9
149.04417	2.1
160.24290	0.7
161.04451	10.5
169.29956	0.7
179.05521	54.2
180.05817	1.9
202.44896	0.7
213.15981	0.7
220.73982	0.6
231.17525	1.2
285.18515	3.1
287.20123	1.1
288.36978	0.7
303.19708	1.8
305.21219	1.4
331.19183	2.7
349.20114	7.7
350.20468	1.2
365.19751	2.0
367.21210	100.0
368.21524	12.5
393.19315	0.8
409.22189	1.3
477.86038	0.8
477.92545	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	588.1358
Annotation	Unknow
Peak:m/z	Relative Intensity
56.42908	0.8
65.52019	1.0
71.00654	1.9
74.66360	0.9
74.88313	0.9
80.96803	0.8
109.02827	2.5
114.68707	1.0
133.02856	9.6
137.02335	1.0
163.04012	0.9
175.03911	2.7
177.01849	2.3
191.03467	1.2
201.01715	1.0
202.16031	0.9
203.03494	1.0
231.02895	1.2
255.06760	1.2
266.05905	1.1
297.03998	2.4
298.04703	6.0
299.05692	7.3
309.04044	2.0
311.05646	7.4
312.06357	8.1
313.07053	6.1
323.05624	1.5
325.03632	1.5
325.07166	1.6
327.05115	9.3
338.04016	2.0
339.05109	18.4
340.05301	2.9
341.06638	5.4
353.06677	2.7
355.04498	2.7
357.06061	4.2
367.04437	6.7
368.04730	1.4
369.06107	28.3
370.06335	3.6
371.07843	1.2
379.04510	2.2
381.06213	4.5
383.07855	1.3
385.05594	14.5
386.05838	1.8
397.05673	7.6
399.07214	18.8
400.07410	2.6
411.07217	1.4
415.06689	15.0
416.06735	1.8
417.08179	1.5
429.08316	1.2
441.08414	2.1
442.08817	1.4
457.07996	4.6
458.08453	1.2
459.03015	1.9
459.09283	23.5
460.09546	4.0
471.09085	1.6
475.08823	100.0
476.09079	13.1
479.24945	1.1
543.11597	4.3
544.11377	1.3
561.12476	33.8
562.12360	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	588.1357
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	9.5
69.49108	9.1
71.01248	4.4
73.02814	1.6
76.68316	1.5
81.73540	1.3
85.02812	1.4
89.02303	1.3
98.19787	1.4
101.02329	1.4
109.02820	2.1
127.85739	1.4
133.02841	11.3
134.03625	1.8
135.04428	1.7
149.02325	2.0
151.03802	1.6
161.02350	2.1
165.01756	1.8
175.03944	3.8
177.01828	2.7
177.05388	1.3
179.05511	1.8
187.08530	1.4
189.01901	1.8
193.09186	1.2
201.01910	3.0
203.03444	3.4
205.01324	3.4
241.04906	1.7
267.06387	2.2
267.28299	1.2
283.06064	3.0
285.03964	1.7
297.04041	4.9
298.04715	7.7
299.05606	8.7
309.03906	2.9
310.04501	3.1
311.05536	11.6
311.08734	1.7
312.06293	12.4
313.03949	1.4
313.07153	8.2
323.05670	2.7
325.07178	1.4
327.05115	7.6
332.60895	1.5
338.04282	1.6
339.04996	16.0
340.05475	2.4
341.06546	6.5
353.06604	4.1
355.04565	2.2
357.06052	2.1
367.04498	7.5
369.06107	27.6
370.06436	3.6
371.07895	2.2
381.06177	4.8
385.05597	15.8
386.06110	1.8
397.05606	7.5
399.07202	18.8
411.07156	2.3
415.06625	17.1
441.08084	4.2
457.07776	7.9
459.09195	20.1
460.09930	3.7
468.06476	1.6
471.09064	4.1
475.08774	100.0
476.09155	12.2
501.76233	1.5
543.11383	3.5
561.12366	37.2
562.12939	5.6
588.10834	1.4
619.12897	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	588.1355
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	2.1
65.14832	1.4
69.00391	1.4
69.61156	9.9
96.75241	1.5
109.02815	4.7
132.35057	1.7
133.01845	2.5
133.02832	19.6
134.03627	2.0
149.02284	1.6
163.03943	1.9
175.03931	6.0
177.01828	4.2
179.03371	2.3
191.03369	2.2
201.01836	2.5
203.03401	3.5
207.02959	1.5
262.04138	1.7
283.06134	2.8
297.04102	5.2
298.04828	12.9
299.05505	9.3
309.03854	2.7
310.04922	3.5
311.05411	12.8
312.06348	16.9
313.07108	16.7
323.05536	2.8
325.03333	1.7
325.07047	2.1
327.05130	12.8
329.35876	1.7
338.04150	4.2
339.05063	25.0
340.05347	2.1
341.06671	9.8
344.05148	2.2
351.05420	2.8
353.06766	5.1
355.04599	5.7
357.05972	5.1
367.04764	9.9
369.06131	52.5
370.06531	4.7
371.07635	3.6
379.04654	2.2
381.05893	8.3
385.05603	21.0
386.05951	2.2
397.05750	12.2
399.07211	32.6
400.07385	4.7
411.07123	4.2
415.06757	19.2
416.07144	2.3
429.07956	3.8
441.08255	4.3
457.07611	10.3
458.07990	2.5
459.03009	2.9
459.09290	45.8
460.09744	6.6
471.09283	8.1
475.08807	100.0
476.09055	15.1
501.10504	3.8
543.11444	6.3
561.12421	88.6
562.12805	15.4
588.13446	14.0
589.13208	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	588.1358
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04956	0.6
54.93213	0.7
54.93473	0.8
59.01239	2.3
69.48204	5.0
71.01234	1.5
93.01089	0.7
96.15932	0.7
98.20539	1.6
103.61458	0.7
109.02836	3.2
121.02807	0.9
133.02838	14.5
134.03619	0.9
135.04410	2.0
147.04372	1.0
149.02354	2.1
151.03868	0.7
161.02356	1.3
163.00352	0.8
163.03911	1.6
167.03519	0.7
174.03122	0.9
175.03906	4.6
177.01888	3.9
177.05481	1.8
179.03333	1.0
191.03409	1.4
192.03513	0.7
192.77110	0.7
197.04510	1.1
201.01865	2.6
203.03398	2.8
203.50980	0.7
205.01373	1.2
205.04932	1.0
211.85500	0.7
213.05542	1.2
219.02975	1.1
225.05540	1.1
226.06229	0.7
227.03397	1.3
231.03078	1.0
233.04579	1.2
241.04973	1.5
249.04099	1.4
255.03081	1.0
255.06483	0.9
261.04031	0.9
265.05011	1.5
267.06601	1.6
268.04520	0.8
269.04578	1.0
281.04562	0.8
283.06149	2.4
284.03473	0.8
284.07043	0.8
285.04022	2.0
291.80798	0.8
295.06104	2.1
297.03940	3.4
298.04788	9.7
299.05621	8.7
300.05960	1.0
309.04050	2.9
310.04706	2.6
311.02274	0.9
311.05612	11.8
312.06372	13.3
313.03467	1.2
313.07120	10.3
323.05670	2.8
324.06140	0.9
325.03543	1.4
325.07068	2.8
327.05106	11.2
328.05325	1.6
330.03812	1.1
337.03409	1.3
338.04294	1.9
339.05063	20.4
339.09131	1.4
340.05530	2.1
341.06625	7.4
342.07089	1.5
344.05341	1.2
351.05145	1.7
353.06500	3.5
355.04483	2.1
356.05280	0.8
357.05850	4.5
367.04498	9.7
369.06125	38.3
370.06558	3.8
371.07745	2.6
379.04419	1.1
381.05969	5.4
385.05627	19.5
386.05780	1.6
395.07892	1.3
397.05615	9.9
398.05908	1.4
399.07190	31.2
400.07596	4.3
411.07104	2.4
415.06696	20.0
416.07022	2.9
423.07159	1.3
429.08206	1.7
439.06622	1.8
441.08160	4.8
442.08588	1.3
457.07654	9.0
458.08521	2.8
459.09317	39.4
460.09561	5.9
471.09280	5.2
475.08810	100.0
476.09158	13.3
543.11230	4.8
561.12469	78.3
562.12793	14.6
588.10913	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	587.3073
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46138	1.8
51.87212	1.9
54.48847	1.9
55.50292	1.8
57.03319	3.0
58.00510	1.9
59.01254	100.0
60.76580	2.2
61.98702	8.6
65.39338	2.4
69.51071	1.9
71.01258	32.6
71.50362	3.4
73.02815	19.1
78.95797	2.9
80.96415	2.3
81.30212	2.0
83.01250	5.0
85.02846	7.4
87.00755	3.1
89.02313	13.3
96.95915	5.2
96.96837	2.4
101.02335	21.0
113.02347	17.9
119.03399	2.9
143.03439	4.1
161.04483	8.9
179.05539	6.1
218.06947	2.5
221.06459	2.3
283.01584	2.1
347.03256	2.2
467.29120	2.2
483.29669	3.5
501.31021	2.3
571.02594	2.4
587.26605	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	587.3071
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03310	2.3
58.00447	2.0
59.01245	100.0
60.01580	1.8
60.99170	1.5
61.98697	16.2
69.20352	3.3
69.20760	11.8
71.01248	31.3
72.99178	2.8
73.02818	12.2
78.95766	2.7
79.67923	1.3
79.95583	1.5
80.96381	2.9
83.01259	5.0
83.04878	2.0
85.02832	7.6
87.00760	4.7
87.04405	1.3
88.98670	4.3
89.02315	18.5
90.74513	1.2
95.01273	1.6
96.95895	3.1
97.02833	1.5
98.20589	2.2
99.00751	1.6
101.02321	15.9
110.33817	1.3
110.65244	1.3
113.02328	25.7
119.03413	7.3
124.89142	1.3
125.02305	1.6
126.12286	1.2
127.07526	1.6
131.03436	1.7
135.08038	1.2
143.03391	2.8
149.04544	1.7
149.09369	1.2
150.09117	1.2
161.04472	8.1
175.02403	2.3
179.05544	5.4
183.13957	1.3
197.11546	1.2
197.18333	1.3
241.14363	3.3
285.04111	3.0
333.20694	1.7
464.25012	1.4
483.29541	16.0
484.30029	2.1
501.30594	6.2
587.26843	3.0
588.26556	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	587.3072
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39202	0.6
56.30558	0.7
59.00964	1.1
59.01251	19.8
61.98705	5.8
69.03318	0.8
71.01241	5.4
71.50398	1.0
73.02805	1.2
78.95781	0.8
85.02837	0.9
89.02318	3.4
96.95872	2.5
97.06455	1.7
98.91576	0.7
99.00658	0.8
99.08021	1.7
101.02319	5.7
113.02309	2.7
119.03372	1.2
125.09621	1.2
125.22900	0.7
161.04478	1.6
237.29681	0.8
247.13376	0.8
247.20602	1.2
253.09271	17.7
254.09491	1.2
263.20123	7.5
264.20657	0.8
273.18607	7.5
289.17859	1.0
291.19650	100.0
292.20032	10.0
315.41043	0.7
348.81232	0.9
456.25851	0.8
527.28510	17.6
528.29053	3.4
542.61511	0.8
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
55.73660	0.3
59.01247	14.4
61.98699	4.9
63.72919	0.3
65.92506	0.3
70.70815	0.3
70.71155	0.6
71.01252	5.1
72.99185	0.4
73.02821	0.8
78.95763	1.1
83.01237	0.6
85.02809	1.0
87.00723	0.8
89.02314	5.0
90.72132	0.3
96.95864	0.8
97.02808	0.4
99.00727	0.4
101.02318	6.3
105.39558	0.4
105.64005	0.3
113.02314	2.3
119.03400	1.1
121.52496	0.3
125.06004	0.5
143.03406	0.7
148.08832	0.7
150.10353	0.5
150.24132	0.3
152.99501	0.6
157.08624	1.7
161.04486	2.1
163.11119	0.6
165.12762	13.6
166.13092	0.8
169.12238	0.4
171.10158	2.0
176.11974	0.5
179.05505	0.7
191.14313	0.5
197.11740	1.4
211.13373	1.5
211.61240	0.3
235.08119	0.4
247.20644	6.8
248.21060	0.8
253.09250	21.5
254.09665	0.9
273.18588	4.2
274.18948	0.6
291.19647	100.0
292.19974	10.1
309.20667	1.6
332.00497	0.3
335.22186	1.7
524.82312	0.3
550.77496	0.3
587.28711	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.3063
Annotation	Unknow
Peak:m/z	Relative Intensity
58.04317	0.3
59.01239	1.0
61.98707	0.4
65.03081	0.3
71.15018	0.5
78.95785	0.9
84.27582	0.3
93.03342	0.9
119.04914	100.0
120.05241	4.6
145.02866	0.6
152.99464	0.6
163.03915	70.0
164.04237	3.8
172.47461	0.3
211.38553	0.3
269.24857	0.9
304.76086	0.4
585.30273	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.3522
Annotation	Unknow
Peak:m/z	Relative Intensity
58.93313	0.2
59.01240	0.4
61.98702	100.0
69.16814	2.3
74.90501	0.2
78.95773	1.8
89.09570	0.2
96.96797	0.2
141.57037	0.2
152.99484	1.2
153.77338	0.2
215.35416	0.2
241.01326	0.4
243.96977	0.2
269.24933	0.9
283.26334	1.6
284.26941	0.6
285.26938	0.2
319.63092	0.2
330.66235	0.2
355.83063	0.2
362.90143	0.2
433.46671	0.2
508.34158	1.1
511.35110	0.5
585.22211	0.3
585.29633	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	586.1568
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01259	1.4
61.98697	2.4
70.85201	1.2
71.01249	1.2
72.46006	0.6
85.02818	0.7
87.04431	0.7
93.32071	0.6
96.40205	0.6
118.94432	0.7
119.04930	1.3
121.02841	0.8
135.04364	1.0
145.02863	2.3
149.02332	1.4
150.03072	1.5
161.02354	1.6
163.03893	1.1
165.01817	0.8
165.05450	1.4
177.01865	1.3
179.03471	1.0
179.07040	1.0
179.18890	0.6
191.03357	0.7
195.06494	0.8
203.03453	0.9
207.02924	3.6
207.07945	0.8
222.06682	0.7
223.07608	0.8
237.03844	1.4
237.09215	1.3
251.07312	1.2
252.07759	1.1
253.04924	1.1
263.07132	1.4
265.04999	1.6
267.06625	9.8
277.08862	0.8
279.06650	6.5
280.07202	3.1
281.08182	17.0
282.08340	1.7
291.06662	2.1
293.08234	1.7
295.06110	9.1
296.06445	1.4
296.78824	0.7
305.04535	1.0
306.05542	0.7
307.06137	5.4
308.06659	1.7
309.07645	6.6
312.06369	3.6
319.06091	1.5
321.07623	2.4
323.05627	2.4
325.07217	3.2
335.05630	5.8
336.05994	0.8
337.07162	30.5
338.07712	3.4
340.05878	1.2
349.07111	2.5
351.05032	1.7
353.06656	18.2
354.07092	2.1
365.06668	3.3
366.06671	0.9
367.08221	14.4
368.08478	1.3
379.08206	1.4
381.05966	1.5
383.07684	10.0
384.08490	1.5
395.07809	1.0
415.10300	1.6
439.10138	3.1
455.09726	1.5
457.11328	9.3
471.09616	1.0
473.10760	11.8
474.11102	1.8
496.15561	0.7
541.13519	0.9
559.14545	100.0
560.14838	17.8
560.63287	0.9
586.07037	1.2
586.15680	12.6
587.15869	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	586.1565
Annotation	Unknow
Peak:m/z	Relative Intensity
56.40108	0.5
56.43410	0.5
57.03309	0.8
59.01251	10.6
61.98703	9.2
70.83860	1.1
71.01249	3.5
72.99189	0.9
73.02809	1.7
75.00733	0.8
78.95768	0.7
80.96385	1.4
83.01251	0.6
85.02828	1.5
87.00773	0.9
89.02307	1.6
95.01273	0.6
99.00768	1.0
100.32811	0.6
101.02315	1.9
106.19020	0.6
113.02327	1.4
117.97144	0.5
119.03393	0.7
119.04879	1.4
121.02822	0.9
135.04414	1.4
136.48587	0.5
145.02827	2.1
158.92897	0.5
161.02380	1.1
161.04442	0.8
163.03909	1.4
165.01743	0.9
175.02376	0.7
175.03891	0.8
177.01845	1.0
179.03438	0.9
189.01926	1.1
191.03389	1.3
201.01851	0.6
205.01414	0.8
207.02855	3.8
223.07697	0.7
235.07530	1.1
237.04027	1.6
237.09242	1.3
251.07123	1.2
252.07869	0.9
253.05013	1.1
263.06992	1.3
265.05042	1.7
266.05896	0.9
267.06580	8.1
268.06915	0.8
279.06628	4.8
280.07339	2.0
281.08170	14.6
281.11154	1.1
282.08588	2.1
291.06625	1.7
292.03922	0.8
293.08188	1.5
295.06097	7.6
296.06418	1.0
298.04913	0.8
306.05298	0.7
307.06125	5.4
308.06729	1.7
309.07642	5.0
311.05621	0.7
312.06348	2.0
319.06152	1.4
321.07675	2.0
323.05542	2.1
325.07156	2.1
333.07651	0.6
335.05554	4.7
337.07172	23.7
338.07474	2.2
339.08890	0.6
340.05740	1.4
349.07007	1.8
351.05078	1.3
353.06644	13.8
354.07019	1.9
365.06616	2.5
366.06912	0.8
367.08218	9.1
368.08618	1.1
379.08154	0.9
383.07700	7.3
384.08102	1.1
395.07617	2.0
403.08337	0.6
415.10422	1.1
419.25140	0.6
425.09164	0.7
439.10416	2.1
455.09991	1.3
457.11356	7.7
458.11890	1.0
469.11191	1.1
471.08990	0.8
473.10812	8.4
474.11301	1.8
541.13208	0.9
551.30756	0.9
559.14539	100.0
560.14893	17.6
586.32574	1.0
587.27747	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	585.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89771	0.4
53.00626	0.4
61.98686	1.4
64.53288	0.4
69.21999	2.8
69.22428	1.5
79.80755	0.5
86.01427	0.5
93.03337	1.5
106.04101	0.5
108.02065	0.6
119.04921	0.7
121.02819	2.7
122.03655	3.4
133.02849	3.0
134.03624	51.2
135.03983	2.0
136.01544	0.7
137.02336	9.8
139.03909	2.8
149.02339	6.3
149.05093	0.5
149.05977	16.5
150.03110	19.6
150.06320	1.2
151.03780	1.4
164.04712	1.2
165.05472	16.8
166.05750	0.7
178.02621	36.9
179.03050	1.6
180.04210	0.9
181.05049	0.7
192.04189	2.1
193.04982	100.0
194.05307	6.1
195.06528	9.0
207.06531	1.8
269.08224	0.4
270.09152	0.8
283.09958	0.5
285.11374	1.4
297.11252	0.5
329.10333	0.9
343.11884	0.6
371.18057	0.6
391.14032	0.5
433.16473	3.4
443.13464	1.2
537.17651	2.2
559.73029	0.5
585.19531	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.2343
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31238	1.3
55.64433	1.3
59.01250	5.1
61.98695	2.7
62.53526	1.3
65.26120	1.5
68.49422	1.4
70.13580	1.2
71.01291	1.6
71.18489	4.5
83.12522	1.3
93.03327	6.1
97.49791	1.4
105.03424	1.4
109.02862	3.4
113.02338	1.7
121.02822	12.6
122.03635	14.7
122.62352	1.5
133.02821	3.9
135.04396	5.5
137.02336	1.8
145.02817	1.9
147.04382	3.9
149.02342	39.2
149.05940	2.7
150.03133	100.0
151.03491	4.0
155.19215	1.4
162.03166	2.0
163.03870	5.4
164.04741	7.8
165.05484	98.4
166.02800	1.8
166.05850	5.0
167.03401	2.3
174.03018	1.9
175.03940	5.0
177.05452	1.9
179.03395	2.3
179.07024	2.0
180.04199	14.3
188.04601	1.8
189.05478	2.8
190.06329	8.0
191.07018	7.7
193.04996	5.0
194.05710	6.0
195.06558	52.4
196.06892	5.1
203.07039	1.5
205.08644	6.8
207.02937	2.2
207.06548	3.9
208.07292	5.0
255.06625	2.1
267.06641	3.1
281.08240	3.1
293.04807	2.0
294.24390	1.7
295.06116	3.5
337.07065	5.0
345.13391	3.8
353.06775	2.2
357.13412	2.8
358.13965	2.0
359.14966	43.8
360.15234	5.5
367.08429	2.3
383.08054	1.9
395.07761	3.4
457.11206	1.7
473.10568	3.0
507.19986	2.7
537.21259	56.3
538.21539	12.8
559.14526	25.9
585.23822	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	585.3043
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49732	0.4
59.93316	0.5
61.98704	7.9
62.36509	0.5
70.42526	1.9
78.95773	66.8
82.95974	1.0
90.27046	0.5
96.96838	13.5
109.09039	0.5
112.18027	0.5
117.83430	0.5
120.52617	0.4
134.37379	0.5
134.98381	0.7
137.97427	0.6
150.97946	0.7
152.99484	61.5
153.99770	0.6
171.00536	0.6
179.84367	0.6
223.00085	2.0
228.86354	0.6
241.01143	33.4
242.01424	1.1
259.02264	0.6
269.24838	69.3
270.25159	6.2
277.21472	0.6
289.18130	0.6
293.21365	0.9
315.04834	10.2
316.05371	0.5
374.99078	0.5
405.24097	6.8
406.24411	0.8
585.30420	100.0
586.30817	18.1
588.06897	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.336
Annotation	Unknow
Peak:m/z	Relative Intensity
53.57486	0.1
55.32532	0.1
59.01248	0.2
60.99177	0.3
61.98697	100.0
62.98394	0.3
64.25014	0.1
65.82832	0.1
78.95780	0.7
80.96363	0.2
82.95981	0.5
87.00764	0.1
88.00284	0.5
88.98670	2.7
89.02329	0.3
93.49586	0.1
96.70165	0.1
98.19786	0.3
107.30489	0.1
109.81169	0.1
152.98483	0.1
152.99451	0.8
229.52356	0.2
267.23288	0.2
281.24814	2.2
282.25168	0.8
283.25565	0.5
284.25891	0.3
506.32419	0.4
509.33759	0.3
522.30261	0.1
583.28741	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.3293
Annotation	Unknow
Peak:m/z	Relative Intensity
56.31598	0.2
59.01252	4.3
60.01600	0.2
61.65532	0.2
61.98705	100.0
62.98430	0.2
66.00885	0.2
70.46928	0.5
70.47286	0.2
71.01260	1.0
73.02828	0.4
78.95805	0.3
85.02839	0.6
86.28933	0.1
87.00746	0.2
88.51634	0.1
89.02321	0.7
96.95905	0.2
101.02354	0.6
108.45809	0.2
111.00819	0.2
113.02342	0.4
116.92735	0.2
119.03449	0.2
134.16467	0.1
150.03076	0.2
161.04590	0.2
165.05498	0.3
172.12714	0.2
192.98491	0.2
194.97090	0.2
234.42204	0.2
236.52927	0.2
269.09317	0.2
322.21039	0.2
333.59415	0.2
511.40155	0.2
549.29565	0.6
557.13391	0.2
585.24780	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.3154
Annotation	Unknow
Peak:m/z	Relative Intensity
53.60643	0.4
59.01236	0.5
63.96101	1.4
69.03333	0.6
70.02941	2.1
70.87516	0.4
71.01250	7.1
73.02813	1.5
78.98456	6.8
79.95602	9.4
80.96384	69.2
83.01255	0.5
85.02830	2.9
87.00743	3.3
89.91559	0.4
94.97955	14.1
96.95899	1.2
97.02805	1.6
98.19858	0.6
99.00780	0.7
100.45522	0.4
101.02296	2.4
106.97943	3.1
113.02324	0.6
118.99414	0.4
122.97478	2.9
125.02327	2.8
127.03936	0.8
134.97484	4.0
136.99019	1.5
148.99031	6.8
152.98544	5.6
164.98544	11.3
167.00140	0.7
206.99612	2.6
210.98656	0.4
225.00687	15.2
255.78714	0.4
259.72781	0.4
283.26382	2.2
299.04343	3.5
365.93066	0.4
379.30548	0.5
447.73639	0.5
564.61285	0.5
583.31512	100.0
584.31830	21.3
584.41376	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.3358
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92182	0.2
59.01244	0.7
61.98699	100.0
78.21136	0.2
78.95782	1.3
84.54691	0.3
90.91672	0.2
104.99322	0.3
108.01794	0.3
129.69061	0.2
152.99467	0.7
214.11073	0.3
280.10013	0.3
281.24832	2.1
282.25302	1.0
283.25635	0.7
284.25812	0.4
286.54422	0.3
506.32617	0.9
507.32904	0.4
509.33670	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	1.7
61.23316	1.0
61.54440	0.9
61.98697	3.4
69.30950	4.3
69.31379	4.1
74.12277	0.9
86.27492	0.9
86.93665	1.0
93.03358	4.7
93.16376	0.9
95.04947	0.9
103.75229	1.1
105.60551	1.0
109.02846	1.1
112.46206	1.0
121.02840	13.4
122.03642	15.3
123.00766	1.6
123.04400	1.0
124.01520	1.1
133.02826	1.7
134.03627	1.4
135.04433	7.0
136.01564	12.0
137.02319	3.8
147.04404	1.6
149.02339	32.7
150.03130	100.0
151.00293	3.6
151.03920	17.1
152.01067	1.7
160.05118	1.6
163.03877	1.9
164.04694	4.7
165.05478	98.3
166.02620	9.2
166.05814	6.0
167.03339	2.9
172.05203	1.6
175.03944	3.8
180.04207	5.1
181.04996	12.2
182.05476	0.9
189.05545	4.0
190.06284	5.4
191.06670	1.0
195.06557	51.0
196.06937	3.5
199.87549	0.9
297.07657	2.0
329.10300	3.3
343.12143	1.1
356.12613	1.7
357.09589	2.6
357.13443	11.1
372.12027	2.1
373.12885	2.5
387.14462	25.3
388.14676	2.7
505.18689	4.3
517.18604	1.6
535.19727	41.9
536.20111	7.0
583.21844	1.6
608.47632	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	583.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65860	0.4
59.01266	0.8
61.98703	3.6
63.73455	0.3
69.60413	2.3
80.93110	0.4
86.34548	0.4
93.03327	3.4
93.03769	0.3
95.01252	0.3
96.95853	0.4
98.19803	0.5
99.15931	0.4
109.02858	1.0
109.07738	0.4
121.02844	5.6
122.03633	13.2
123.00783	0.6
123.04417	0.4
124.01597	0.9
133.02858	1.8
134.03633	0.5
135.04414	0.8
136.01563	5.7
137.02332	1.3
139.03944	0.4
149.02351	19.2
150.03136	88.2
151.00200	1.8
151.03917	7.4
164.04694	2.8
165.05489	100.0
166.02650	4.2
166.05836	4.6
167.03392	0.5
175.03973	1.0
177.01826	0.5
180.04205	5.3
181.04996	5.9
189.05554	0.9
190.06236	0.8
191.03404	0.5
195.06561	67.9
196.06917	3.5
206.05835	0.5
217.05263	0.4
221.08096	0.8
262.18158	0.4
272.94562	0.4
282.05435	0.5
294.05432	0.4
297.07779	0.6
309.07635	0.8
342.11029	1.6
343.11362	0.4
357.09717	0.9
357.13464	9.6
358.13779	1.1
372.12143	1.0
373.12811	0.7
387.14484	11.7
388.14597	1.2
505.18652	1.1
535.19592	2.1
536.20135	0.6
583.21936	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	0.8
61.98693	0.3
64.47939	0.3
67.16885	0.2
71.01214	0.3
71.51843	0.5
77.19205	0.2
89.68035	0.3
93.03339	3.5
97.94315	0.3
101.43603	0.2
109.02859	0.4
121.02842	4.0
122.03629	13.2
123.00770	0.4
123.03970	0.4
124.01566	0.4
125.02335	0.3
133.02866	1.3
135.04413	0.5
136.01563	1.6
137.02330	0.3
149.02353	18.1
149.22322	0.3
150.03134	94.8
151.03464	3.8
160.01579	0.4
164.04707	2.9
165.05486	100.0
165.49556	0.3
166.05824	5.1
175.03932	0.4
177.05513	0.6
179.07047	0.4
180.04189	6.4
181.04482	0.5
181.55643	0.3
195.06558	61.7
196.06970	2.5
203.07083	0.5
221.06107	0.3
221.08163	0.3
222.05217	0.7
225.05498	0.4
231.43877	0.3
237.73199	0.3
238.06154	0.4
240.07727	0.5
259.06335	0.4
265.08307	0.3
267.06461	0.4
268.07373	2.1
279.06693	0.3
280.07391	1.0
281.08026	0.5
283.06866	0.3
283.09808	1.9
284.06912	0.6
294.08752	0.4
295.06219	0.4
296.06891	0.9
297.07550	0.8
299.09195	0.5
308.06802	0.9
309.07645	1.4
310.08243	0.5
311.09262	0.8
312.06412	1.7
313.10800	0.4
322.08340	0.7
323.09158	3.2
324.06299	0.8
324.09970	1.7
325.10605	0.4
327.08789	6.0
327.12408	0.3
337.10751	0.6
338.11624	1.2
339.08694	7.6
339.12347	0.9
340.09119	0.8
341.10327	0.3
342.11093	5.0
343.11685	0.4
343.15753	0.4
353.10181	0.4
354.11050	3.2
355.11853	0.4
357.13419	19.8
358.13876	2.1
369.13412	21.4
370.13754	2.3
440.77789	0.3
505.18280	0.6
535.19635	1.1
553.20294	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57430	0.4
53.03416	0.5
61.98710	0.9
65.52540	0.5
69.55395	0.9
69.55804	2.7
77.03856	0.6
90.79832	0.4
93.03349	3.8
95.01276	0.6
95.04939	0.5
98.01218	0.5
105.64333	0.4
110.83588	0.5
120.96401	0.5
121.02831	5.1
122.03630	13.4
124.01551	0.6
133.02850	1.7
134.03555	0.6
136.01564	1.2
137.02319	0.5
149.02348	29.4
150.03128	95.6
151.03438	4.3
159.04393	1.0
160.01595	1.0
164.04700	6.9
165.05481	100.0
166.05833	5.4
175.03902	1.0
177.05475	2.5
179.06985	0.8
180.04178	6.6
190.06245	0.6
195.06557	56.5
196.06888	2.2
204.15327	0.5
224.06850	0.7
226.57562	0.5
243.06511	0.8
249.05525	0.7
253.05031	0.7
259.58487	0.5
267.06613	0.8
268.07407	2.3
279.10251	0.8
280.07352	0.9
281.08127	0.6
283.09729	2.2
284.06912	0.9
295.06146	0.6
296.06805	1.4
297.07703	1.1
297.11115	0.7
299.09192	0.8
307.06100	0.6
307.09860	0.8
308.06836	1.8
308.10443	1.7
309.07626	1.8
309.10925	0.5
311.05743	0.7
311.09198	1.0
312.06326	1.6
313.10690	0.6
322.08411	0.9
323.09198	2.8
324.06378	1.2
324.09927	1.8
325.10736	4.1
326.11514	4.3
327.08682	7.3
327.12131	0.5
328.08893	0.6
338.11572	1.4
339.08652	9.5
339.12357	1.8
340.09058	1.0
341.13934	0.9
342.11060	5.4
343.11615	0.8
354.11182	3.5
356.12051	0.6
357.08951	0.9
357.13419	21.6
358.13702	2.2
369.13428	22.2
370.13739	2.3
416.19745	0.6
461.15884	1.6
472.14758	0.9
487.17676	1.3
490.15533	0.7
491.17255	0.7
505.18674	8.1
506.18750	1.3
517.18439	2.0
535.19727	38.6
536.19989	6.4
583.21320	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	582.1827
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01739	0.1
59.01250	0.2
61.98702	100.0
62.98400	0.2
70.38183	0.1
70.38530	0.5
101.01754	0.1
125.50687	0.1
247.45010	0.1
348.53961	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	582.3128
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	0.4
58.02847	0.2
59.01254	4.4
61.98701	100.0
62.73276	0.2
62.98399	0.3
64.35622	0.2
68.11473	0.2
71.01256	1.6
71.50016	0.2
71.50423	0.3
72.01616	0.3
72.99181	0.3
73.02811	0.4
83.01279	0.3
85.02830	2.2
87.00772	0.7
88.98709	0.5
89.02321	0.7
95.01281	0.2
96.95917	0.4
99.00783	0.4
101.02335	1.0
106.04131	0.2
111.00755	0.3
111.90793	0.2
113.02323	0.5
119.04916	0.2
120.99553	0.2
161.04480	0.4
175.02534	0.4
179.05540	1.3
180.05937	0.3
181.12195	0.2
191.01848	0.4
257.21274	0.3
258.21609	0.4
270.37256	0.2
280.06299	0.2
313.97171	0.2
419.26559	0.8
420.26846	2.6
421.22128	0.2
470.93747	0.3
522.31134	0.3
547.28003	0.4
550.81384	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.3773
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	21.8
70.12479	1.3
70.12874	0.9
71.01245	2.1
72.15209	0.5
73.02801	0.5
78.95772	23.3
78.98450	1.1
79.95599	3.1
80.96390	21.2
81.95199	0.6
82.95963	1.6
85.02836	0.8
87.00760	1.0
90.71967	0.5
94.34811	0.5
94.97973	4.5
96.95869	0.7
96.97498	0.8
98.20521	0.5
98.98968	0.5
100.90617	0.5
101.02341	0.7
106.97976	0.9
115.91967	1.2
116.92740	1.0
122.97470	0.5
122.98410	0.7
134.97499	1.2
148.99092	1.6
152.98502	1.1
152.99493	3.1
164.98566	2.8
168.04198	3.7
179.89282	0.5
180.89847	0.7
187.35228	0.5
196.89389	1.6
224.06895	8.1
225.00670	3.0
226.01051	1.6
227.00096	0.6
242.07925	2.4
283.26404	100.0
284.26755	11.1
299.04623	0.5
331.51337	0.5
332.38922	0.5
346.57425	0.6
418.31583	0.5
508.34048	63.0
509.34354	11.3
582.30286	31.8
583.19836	2.7
583.30029	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	581.3203
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74422	0.1
51.45477	0.1
51.58661	0.1
59.01255	0.3
60.63013	0.1
61.98699	100.0
71.81821	0.1
78.95774	0.9
98.19777	0.3
126.13657	0.1
152.99545	0.3
224.06996	0.2
229.63293	0.2
279.23270	2.0
279.26044	0.1
280.23666	1.0
281.23953	0.5
282.24200	0.5
356.99927	0.1
504.30923	1.2
505.31421	0.4
506.31625	0.2
507.31650	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.3205
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	0.4
60.01602	0.1
61.98701	100.0
62.98392	0.2
69.28580	0.6
69.29007	0.3
78.95784	0.5
80.96407	0.3
82.95974	0.6
92.09267	0.1
124.44142	0.1
126.39230	0.1
152.99503	0.5
183.99599	0.1
239.25496	0.1
279.23303	2.4
280.23584	1.2
281.23819	0.9
282.24448	0.4
286.35037	0.1
311.20764	0.1
504.30621	0.6
505.31305	0.2
506.31790	0.2
507.31885	0.6
581.27167	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	582.1286
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25497	0.9
58.50863	1.0
59.01257	4.8
60.85886	0.9
60.92942	0.9
70.85817	1.8
70.86145	1.0
71.01257	1.5
71.05624	0.9
73.02777	1.2
83.01251	1.3
84.04433	2.0
85.01015	3.8
101.02316	3.3
113.00552	100.0
114.00925	2.3
120.01141	1.1
125.02380	0.9
135.04427	0.9
151.03944	1.4
167.03409	1.9
168.03706	0.9
176.07079	57.8
177.07367	2.9
209.04485	2.5
211.60300	1.0
218.08211	1.4
240.05679	1.0
320.11438	5.3
338.12411	6.4
380.13519	23.5
381.13715	1.7
404.21652	0.9
416.10068	1.8
424.12411	2.0
456.97699	1.1
458.05215	1.9
458.11249	30.0
459.11618	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2997
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81036	0.4
55.42229	0.4
59.01247	9.7
61.98680	0.6
63.96100	1.3
69.03318	0.5
70.53037	0.7
71.01253	7.3
73.02815	1.4
78.95770	8.2
78.98462	6.8
79.95602	10.8
80.96385	65.9
81.03332	1.1
85.02807	3.2
87.00748	1.9
94.97956	17.1
96.95888	4.3
97.02809	1.8
101.02321	2.9
106.97961	4.1
122.97478	2.7
125.02327	2.5
127.03913	0.9
134.97466	4.6
136.99028	1.5
146.97470	0.5
148.99028	6.3
152.98503	5.5
152.99509	0.9
164.98532	13.4
167.00081	0.5
167.14261	0.5
168.04216	1.1
206.99641	1.9
224.06938	3.6
225.00693	14.2
226.01170	0.7
229.14435	0.8
242.08008	0.7
251.44868	0.4
281.24799	1.9
283.26407	47.6
293.58377	0.5
299.04440	3.1
313.12308	0.5
508.34024	29.9
581.29968	100.0
582.30353	17.0
582.39624	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	1.0
61.98701	2.4
65.05082	0.8
69.59579	5.1
69.99617	0.8
74.83631	0.8
87.15231	0.8
93.03328	4.3
121.02818	6.1
122.03620	14.3
133.02853	2.0
136.01537	1.5
147.04387	1.1
149.02342	23.2
150.03123	100.0
151.03458	5.0
162.03152	1.8
164.04652	4.3
165.05475	95.3
166.05852	5.7
175.03909	12.4
176.04469	1.0
177.05496	2.5
180.04204	7.5
188.26082	0.8
190.06273	2.8
195.06551	50.6
196.06851	3.0
205.24393	0.9
210.06911	1.0
218.05751	6.7
219.06448	1.0
222.05193	5.2
238.06329	1.0
240.65462	0.9
241.04918	1.0
242.05638	1.2
250.06349	1.6
254.05762	1.7
259.05383	0.8
265.05005	2.2
266.05792	3.9
267.03122	1.0
277.05130	1.3
278.05832	6.1
279.06537	2.2
281.04541	1.4
281.08127	1.0
282.05392	2.0
292.07629	1.0
293.04587	1.5
293.08167	0.9
294.05209	1.2
297.07678	0.9
305.04703	1.1
306.05377	4.6
307.06067	4.5
308.06812	1.0
309.04111	1.7
309.07608	1.7
310.04791	1.9
320.06906	1.9
321.07608	14.1
322.04846	1.4
322.08292	4.5
324.06342	2.7
325.07053	14.6
326.07556	1.5
335.09268	2.5
336.09955	6.7
337.07135	12.7
337.10788	3.1
338.07489	1.3
339.08688	4.7
340.09479	9.7
341.09982	2.2
351.99252	1.1
352.09503	3.8
354.11087	5.7
355.07458	1.6
355.11832	29.3
356.12186	5.6
367.11816	41.6
368.12094	5.5
452.69598	0.8
532.36914	0.9
533.17755	1.3
541.57379	0.8
551.19165	5.6
581.20306	16.3
582.20520	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	581.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01229	0.7
61.98698	2.3
69.82323	1.2
69.82735	2.4
71.64298	0.6
79.01900	0.6
93.03349	3.5
98.19904	1.2
112.12251	0.7
121.02844	4.9
122.03625	14.8
123.04437	0.7
133.02834	1.9
136.01570	0.8
137.02290	0.6
147.04417	2.2
149.02345	23.4
150.03125	94.3
151.03453	3.8
162.03181	1.1
164.04666	3.7
165.05478	100.0
166.05830	5.1
175.03920	16.1
176.04544	1.5
177.05489	1.3
180.04178	6.6
188.04787	0.9
190.06284	6.0
195.06546	46.4
195.74429	0.6
196.06824	4.1
203.07130	0.9
207.03040	0.9
208.03627	0.8
216.87369	0.7
216.89679	0.6
218.05766	5.1
219.06502	0.8
221.08078	0.7
222.05269	8.9
223.05872	0.6
225.05321	0.6
232.25079	0.7
237.05510	1.0
238.06331	1.3
241.05157	0.9
242.05501	0.7
250.06326	0.8
253.05110	1.9
254.05693	1.5
256.15714	0.7
265.04971	1.4
266.05746	4.0
267.03055	0.9
267.06323	0.9
277.05133	1.0
278.05829	6.4
279.06525	1.6
280.07254	0.9
281.04553	3.5
281.08231	2.4
282.05484	1.2
291.06567	0.9
292.07190	0.8
294.05466	1.9
295.09702	1.8
297.07645	1.3
306.05365	4.3
306.08472	0.9
307.06119	4.6
308.06836	1.4
309.04016	3.7
309.07697	2.2
310.04810	3.3
311.05365	0.9
320.06818	1.2
321.07660	13.8
322.04944	1.1
322.08347	5.5
323.05667	1.3
323.09125	6.6
324.06335	4.9
324.09900	3.3
325.07111	11.3
325.10590	1.5
326.07764	2.9
335.09250	1.9
336.09976	7.5
337.07156	12.1
337.10730	1.7
338.07483	1.0
339.08670	11.8
339.12314	0.8
340.09406	9.4
341.10287	2.7
352.09509	2.9
352.49234	0.7
353.10080	1.8
354.11096	9.2
355.11844	29.0
356.12158	3.4
367.11819	39.7
368.12308	5.5
385.13245	1.2
445.12631	1.0
459.14520	1.8
473.12192	2.1
488.14999	1.8
489.15253	1.8
503.17096	19.8
504.17639	3.3
515.16937	2.1
533.18134	23.1
534.18634	4.4
551.19153	17.5
552.19250	3.6
581.20282	23.9
582.20569	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	581.1879
Annotation	Unknow
Peak:m/z	Relative Intensity
58.20359	0.4
59.01242	3.0
71.01244	1.0
73.02818	0.6
73.05209	0.4
73.29538	0.6
83.39471	0.4
84.80921	0.5
89.02325	0.5
93.03340	2.0
96.95933	0.6
104.16876	0.5
109.02848	0.6
113.02344	0.7
120.99570	0.5
121.02834	6.0
122.03642	4.2
133.02869	0.8
135.04454	2.5
136.01512	1.0
137.02374	1.3
147.04373	0.7
149.02342	31.7
150.03131	35.9
151.03452	2.5
152.01059	5.2
163.03929	5.3
164.04694	17.2
165.01810	1.3
165.05479	39.2
166.05840	2.5
167.03325	0.7
169.04944	2.1
177.05421	0.9
179.03395	0.6
179.06982	4.2
180.04184	2.6
190.02666	1.1
192.99583	0.9
193.01346	14.8
195.06554	38.4
196.06894	2.0
205.05029	1.4
205.33154	0.5
208.03697	28.2
209.04057	1.6
223.06065	100.0
224.06459	6.4
237.05632	0.8
265.07339	1.3
278.40399	0.5
280.07458	1.1
312.10007	0.9
327.12369	1.3
328.12738	0.9
329.13095	0.7
371.11273	7.5
372.11493	0.6
375.14899	0.6
385.11478	0.9
419.13422	18.6
420.13773	2.2
511.55511	0.5
581.19037	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	581.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75110	1.0
59.01255	1.4
61.98690	4.3
64.23840	0.9
68.99683	21.7
70.82688	2.0
70.83022	2.1
80.02499	1.0
80.06557	0.9
81.03325	1.1
87.00729	2.0
95.01221	1.1
99.00725	1.2
105.03338	1.1
108.02052	30.5
109.02874	5.9
114.01862	1.0
117.03386	2.4
121.02814	2.5
122.03609	3.5
123.00769	15.6
123.03545	1.9
123.04407	28.4
125.74379	1.0
132.02052	5.8
133.02879	1.5
136.01524	1.5
138.03125	41.4
139.03542	1.1
139.99745	1.9
147.04381	2.2
148.01566	1.1
149.02283	2.4
150.03122	16.8
151.03741	1.5
153.05505	1.7
159.02869	1.5
160.01578	2.7
161.02354	13.2
162.03145	32.3
163.03905	13.8
164.01123	1.5
164.04587	3.2
165.05522	3.1
167.03394	1.3
174.03947	1.1
175.03938	1.7
177.01880	3.3
177.05489	43.4
178.02621	36.4
178.05878	1.7
179.03294	4.2
179.07043	1.5
192.04228	5.1
193.04984	100.0
194.05412	5.7
207.06551	6.4
208.03606	1.6
220.07368	1.6
222.05251	1.7
237.07611	1.8
268.07504	2.7
280.07431	1.2
283.09698	1.3
295.06073	1.2
296.06876	1.8
297.07782	1.7
308.06952	2.0
309.07584	1.7
312.06293	2.1
323.09210	4.0
324.06311	1.8
324.09952	2.9
327.08688	6.2
338.11444	1.6
339.08731	10.9
339.12283	1.9
340.09061	1.7
341.10110	1.5
342.11032	10.3
343.11682	2.3
354.11057	3.8
357.13412	18.5
358.13605	2.0
369.13342	14.1
373.13074	1.7
392.17252	3.3
436.16028	2.0
476.15533	2.8
536.17755	11.5
537.18018	1.7
554.19037	1.6
563.21539	1.2
581.20313	35.3
582.20526	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	581.1877
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03329	2.0
59.01252	29.2
61.98708	18.1
63.44310	1.5
63.72797	1.9
71.01253	19.2
71.50816	3.0
72.99178	3.5
73.02821	5.5
73.96438	1.6
77.59758	1.6
78.95779	5.1
80.04890	1.6
81.03329	8.7
83.01260	7.8
85.02813	12.6
87.00761	2.1
88.98689	1.9
89.02309	6.4
93.03333	6.5
95.01265	2.4
95.04914	4.2
97.02831	6.3
97.46015	1.7
99.00751	4.9
99.04400	3.1
101.02317	6.9
106.06526	1.8
107.04950	4.0
108.01936	9.2
108.04430	1.7
109.02854	3.0
112.40140	1.6
113.02332	6.4
119.03431	1.9
119.04921	9.9
121.02836	4.8
121.06546	1.8
123.04422	18.8
125.02349	15.0
135.04407	6.1
137.02348	9.2
137.05965	8.3
138.03114	2.1
139.03874	12.4
147.04414	3.6
148.03929	2.6
149.02388	2.6
149.05913	2.9
150.01726	8.3
150.03008	3.8
151.02545	28.2
151.03821	4.1
153.05539	2.1
156.59764	1.9
161.04466	2.1
161.05914	1.6
163.03899	4.5
163.07527	2.1
164.04747	2.8
165.01857	3.9
165.04053	7.5
165.05461	9.5
166.02711	1.7
166.04980	4.5
167.03407	39.4
168.03726	2.2
177.01878	3.2
177.05463	3.7
179.03426	11.2
179.05576	3.4
179.07008	2.2
181.04976	5.0
189.05476	6.8
191.03423	2.8
193.05043	3.5
195.06387	2.3
197.04475	4.6
203.03378	1.9
207.02975	1.8
207.06581	2.3
209.04515	28.8
209.08090	2.2
210.04868	2.3
221.04503	6.5
233.04538	2.1
239.05489	10.6
251.05524	3.0
253.09798	2.7
258.45810	1.5
269.06567	1.8
273.07660	15.4
283.06805	4.3
285.55630	1.9
290.15179	1.6
303.21704	3.7
313.11462	2.1
315.08746	20.0
327.08810	10.8
333.15616	9.7
341.10181	3.0
345.09811	7.0
357.09778	100.0
358.10168	11.0
369.09787	5.3
373.25845	5.3
376.71121	1.5
377.18323	14.9
378.18558	1.8
387.10849	73.3
388.11185	10.7
399.10950	4.1
417.11856	22.9
418.12204	3.4
420.15765	2.3
443.13235	3.5
459.13165	3.7
461.14453	9.5
473.14352	3.9
477.13916	7.5
477.30539	2.9
478.14291	2.1
489.14551	3.1
506.15652	9.7
521.32898	4.2
581.18439	9.6
581.29639	2.5
581.35443	3.0
582.19135	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	581.1873
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01755	0.5
57.03297	0.4
59.01222	0.7
61.98664	0.5
64.18796	0.4
68.99658	0.8
69.03282	1.1
70.90557	0.6
70.90883	0.5
71.01255	1.9
73.02791	1.0
79.01713	0.5
80.02552	0.4
81.03330	9.0
82.03665	0.5
83.00823	0.5
83.01256	6.3
85.02791	1.1
89.80488	0.3
91.05363	0.5
93.03349	2.3
95.01257	2.7
95.04895	6.2
97.02828	4.4
99.00717	0.5
99.04407	2.4
107.01225	0.6
107.04898	2.3
108.02026	1.1
109.02827	3.9
109.06435	0.6
111.00751	0.7
111.04405	2.4
113.02331	2.1
119.04883	1.5
121.02827	3.5
121.06447	0.9
122.03574	1.2
123.00725	0.9
123.03571	0.6
123.04404	9.7
124.01534	0.7
124.04694	0.4
125.01463	0.6
125.02329	9.7
131.04890	1.3
133.06464	0.4
135.04404	3.2
137.01396	0.5
137.02335	5.2
137.05992	2.8
138.02844	0.4
139.03897	6.0
145.06439	0.7
147.04416	2.5
147.08026	1.8
149.02293	0.8
149.05960	2.4
150.03098	0.8
151.03914	3.3
153.05382	0.9
155.03329	1.1
159.04385	0.8
161.02351	0.5
162.03098	0.6
163.00223	0.5
163.03926	2.0
164.04634	1.5
165.01790	1.7
165.05472	3.0
166.02599	1.5
167.03406	23.6
168.03662	0.5
171.08040	1.4
173.05994	10.6
174.06247	0.8
175.03914	0.9
175.07521	0.6
177.01773	0.9
177.05414	1.2
178.02582	0.5
179.03410	3.9
180.04080	1.2
181.04921	1.4
183.08015	0.6
185.09602	1.0
187.03889	0.8
188.04698	0.8
189.09108	0.5
191.03387	1.3
193.01250	0.5
193.05009	0.8
197.04486	5.0
207.02811	0.6
209.04492	22.6
209.09636	0.7
210.04768	1.5
211.07500	0.9
213.09129	7.0
214.09561	0.6
215.07027	1.2
219.02899	0.8
221.04483	0.5
223.06010	0.7
225.09192	1.0
227.10654	3.0
229.08630	2.6
231.10126	0.7
237.09117	0.5
239.05533	11.1
239.10631	0.5
240.05792	1.0
247.02315	0.4
251.05406	0.5
251.10687	0.9
253.08636	1.3
255.06607	1.3
255.10335	2.0
257.08160	8.6
258.08572	0.6
265.08502	0.8
267.10199	0.9
269.08109	4.8
269.11478	0.8
270.08701	0.8
271.09641	0.9
271.57358	0.4
279.10336	0.8
281.08298	0.7
283.09720	3.0
287.09207	0.9
295.09790	0.5
297.11340	1.8
298.08148	0.4
299.09229	21.0
300.09622	1.6
309.07617	0.9
309.10941	0.5
311.09244	9.6
311.12833	0.6
312.09610	1.0
313.10672	0.7
323.09268	0.9
325.10898	2.3
329.10309	7.4
330.10562	1.1
337.11014	0.5
338.07849	0.7
339.08545	1.0
341.10257	100.0
342.10626	11.3
353.10303	5.4
354.10800	0.9
355.11795	1.6
369.74466	0.4
371.11322	76.5
372.11670	8.7
383.11343	4.4
384.11624	0.6
395.11343	0.7
401.12390	24.1
402.12885	3.0
413.12201	1.9
425.12375	1.5
443.13397	10.0
444.13824	1.1
455.13251	1.1
461.14517	12.1
462.14914	1.3
473.14490	6.2
474.14734	0.6
491.15445	2.3
545.16425	0.4
563.18011	1.3
581.18738	7.2
582.18689	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.3749
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	13.3
69.67223	4.2
71.01255	2.8
71.47243	0.7
74.61084	0.7
75.43787	0.6
83.01228	0.8
85.02842	0.9
89.02323	2.5
96.63614	0.8
101.02330	2.9
113.02394	1.4
119.03411	0.9
128.44102	0.7
161.04454	1.7
161.23726	0.6
168.24333	0.7
207.64162	0.7
218.87321	0.7
235.08224	2.3
245.47964	0.8
253.09296	12.9
283.26428	100.0
284.26797	10.4
367.90222	0.8
401.16022	0.8
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
59.01252	21.1
65.93913	0.4
70.82595	0.9
70.82929	0.6
78.95775	20.7
79.62363	0.4
87.04242	0.4
91.31891	0.4
96.65445	0.5
102.47688	0.5
122.98397	0.6
137.09299	0.4
147.30055	0.4
152.99500	2.5
168.04227	2.9
224.06880	8.3
242.07930	2.4
281.24844	100.0
282.22110	0.5
282.25201	10.5
506.32489	62.1
507.32886	8.6
547.31030	0.4
555.42249	0.5
558.07703	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.1876
Annotation	Unknow
Peak:m/z	Relative Intensity
54.49946	0.8
57.03327	1.8
59.01002	1.1
59.01248	15.0
60.99119	1.0
61.98698	15.3
69.03325	1.5
69.44579	2.8
69.44997	4.2
71.01244	6.8
72.99162	1.3
73.02815	3.6
73.30864	0.9
75.00732	2.0
78.95757	2.0
81.03326	8.6
82.04003	1.6
83.01254	7.8
83.04879	1.0
85.02809	4.5
87.00721	1.7
88.98669	3.1
89.02303	3.2
93.03326	3.5
94.10308	0.9
95.01241	2.2
95.04896	6.7
95.75909	0.8
96.95866	1.0
97.02829	5.5
98.20659	1.1
99.00762	1.6
99.04388	2.7
101.02291	4.6
107.03485	2.9
107.04887	1.7
108.01923	23.9
109.02820	3.0
109.06477	1.2
110.07709	0.8
111.04379	3.7
113.02322	3.7
119.03376	1.3
120.64700	1.0
121.02821	3.9
121.06487	1.1
122.03532	3.3
123.00750	1.4
123.04411	9.5
125.02322	10.2
127.00098	0.8
131.04903	1.0
133.02861	0.9
135.03036	1.1
135.04414	2.9
137.02324	7.2
137.05980	2.9
139.03868	4.9
147.04404	1.7
147.07991	2.3
149.02290	2.2
149.04640	0.9
149.05922	4.2
150.01729	20.1
150.02933	2.1
151.02516	100.0
152.02811	2.9
153.05446	1.1
155.03445	1.2
161.02309	3.4
161.04453	1.3
163.03900	1.8
164.04631	1.8
165.01834	2.2
165.04063	5.8
165.05443	4.1
166.02628	2.2
167.03394	20.2
171.08054	1.0
173.05966	8.6
175.02513	1.3
177.05475	1.1
179.03311	4.8
179.05606	1.1
181.04956	1.5
185.09605	1.2
191.03383	1.9
193.03546	3.2
193.05054	1.0
197.04483	4.6
205.01321	1.0
209.04478	27.0
213.09212	5.5
219.02855	1.3
223.05983	1.5
225.09143	1.8
227.10747	2.4
229.08623	2.4
231.98140	0.9
237.03993	1.5
239.05507	9.8
246.16013	2.1
255.10265	1.7
257.08112	10.4
267.10132	1.1
269.08151	3.6
271.09738	1.0
281.08136	1.2
283.06781	5.9
283.09686	2.0
290.15005	4.0
299.09213	18.1
300.09436	2.5
311.09247	10.5
312.09744	1.5
325.07803	2.8
325.10986	2.0
329.10330	6.9
333.15634	28.1
334.15933	3.3
338.08051	1.0
341.10263	97.8
342.10614	10.9
353.10211	3.6
371.11328	75.3
372.11606	10.0
375.16608	1.9
377.18253	51.0
378.18658	7.0
383.11343	3.9
401.12384	22.2
402.12869	2.6
413.12451	2.9
419.19327	6.5
443.13492	8.4
444.13705	1.9
455.13574	1.2
461.14496	15.4
462.14777	2.0
473.14557	7.7
477.30521	1.3
491.15521	2.9
521.33099	1.9
527.98840	1.4
563.17456	1.5
574.23889	1.0
581.18353	7.3
581.34320	1.4
582.18866	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	579.3386
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	8.0
59.01250	82.5
61.98702	63.7
69.03337	3.2
71.01253	52.5
71.50343	3.1
72.99175	12.5
73.02828	14.5
75.00729	20.7
83.01253	7.9
83.04910	6.0
85.02825	29.1
87.00754	14.3
89.02337	14.9
95.01294	3.7
99.00751	20.3
99.08033	4.2
101.02341	12.9
107.04927	3.4
109.02885	2.8
111.00797	7.3
113.02347	29.7
113.15405	3.4
115.00273	4.3
117.01818	2.9
119.03376	7.1
123.08046	4.2
125.02296	4.7
125.09620	3.8
127.07568	2.8
129.09062	4.1
135.04448	2.9
139.11189	3.0
145.02994	2.8
148.04758	2.8
161.04416	3.3
165.12801	4.3
171.10118	4.2
179.05539	26.2
179.10684	4.8
181.04961	7.1
196.07387	5.2
199.13271	4.6
209.11909	5.6
211.09685	4.9
211.13295	8.5
215.27950	2.9
229.14368	3.7
233.15160	2.9
249.06061	5.3
267.07233	45.5
311.22275	6.0
314.36142	3.0
328.22498	3.3
329.23303	21.7
339.05063	4.4
357.26468	100.0
358.26852	10.8
369.06033	7.9
375.27573	6.1
417.28253	3.8
437.82559	3.9
455.66083	3.5
459.09555	3.9
519.31573	16.7
535.30951	4.2
561.12103	4.5
579.14478	12.7
579.31024	57.4
580.14893	4.2
580.31274	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	579.3051
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71179	0.3
54.24998	0.4
55.10035	0.3
59.01258	0.4
61.98700	100.0
78.95795	0.5
85.56382	0.3
96.67966	0.4
98.19816	0.6
125.55467	0.3
135.23576	0.4
152.99530	0.4
173.22093	0.3
236.59647	0.3
258.99387	0.4
277.21713	1.8
278.22015	0.4
286.77753	0.4
289.07031	0.4
455.07022	0.3
467.63507	0.3
502.29633	0.4
503.29666	0.3
541.26715	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2839
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01239	2.6
61.98700	15.3
63.96093	1.6
69.03316	1.2
71.01250	10.0
73.02819	2.7
78.95776	1.7
78.98094	0.9
78.98473	8.6
79.95602	14.3
80.96387	92.3
81.03335	0.9
82.51051	0.8
83.01267	1.0
85.02833	4.4
87.00747	3.0
94.97958	23.6
96.95905	2.6
97.02839	1.7
99.00780	0.9
101.02306	2.6
106.97952	3.8
113.02287	0.9
122.97451	5.1
124.64423	0.9
125.02350	4.0
127.03915	0.8
134.97479	5.9
136.99039	1.8
137.65198	0.7
148.99065	7.1
152.98524	7.3
164.98555	15.4
206.99644	2.9
217.27351	0.8
225.00702	17.7
233.62199	0.8
279.23340	1.8
281.24826	5.0
299.04333	4.1
410.38846	0.8
506.32355	2.0
579.28412	100.0
580.28705	18.4
593.50061	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.284
Annotation	Unknow
Peak:m/z	Relative Intensity
57.66131	0.5
59.01247	2.3
63.06114	0.5
63.96098	1.0
69.03314	1.0
71.01252	9.5
71.29089	1.0
73.02824	2.9
76.55311	0.5
78.98454	7.9
79.95599	12.8
79.96040	1.0
80.96389	93.3
81.03338	1.7
83.01247	0.9
83.85892	0.5
85.02813	3.7
87.00759	4.2
88.71563	0.6
94.97961	22.8
96.95897	1.3
97.02834	2.0
99.00761	1.0
101.02333	2.7
106.97947	4.2
113.02335	0.6
122.97475	8.0
125.02303	4.3
127.03905	0.9
134.97485	6.0
136.99055	1.5
148.58577	0.6
148.99031	8.2
152.98531	11.1
154.46927	0.7
164.98553	14.8
165.98807	0.6
167.00131	0.7
182.99672	4.1
190.03625	0.6
206.97882	0.6
206.99556	3.3
225.00705	20.9
225.44606	0.6
226.01105	0.9
243.01736	2.0
247.11580	0.6
279.23273	4.7
281.24820	6.1
299.04449	3.8
409.06009	0.6
506.32535	1.3
579.28418	100.0
580.28760	19.5
580.37750	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	579.284
Annotation	Unknow
Peak:m/z	Relative Intensity
57.38589	0.4
59.01243	1.2
63.96108	0.9
69.03303	0.6
70.99646	1.0
71.01253	7.0
73.02821	1.9
78.98465	5.4
79.95181	0.4
79.95602	10.9
80.96385	71.8
81.03336	1.0
83.01248	0.4
85.02812	2.8
87.00752	2.6
94.97959	15.9
96.95893	0.8
97.02812	2.0
101.02297	3.2
106.97954	3.6
113.02324	0.6
122.97465	3.9
125.02341	3.1
127.03914	0.9
134.97453	4.5
136.99036	1.2
143.75989	0.5
148.99048	6.1
149.63838	0.4
152.98541	6.4
164.98552	12.2
167.00072	0.6
176.11641	0.5
176.79672	0.4
206.99629	2.0
225.00688	14.6
226.01262	0.6
233.86647	0.5
272.39484	0.5
279.23251	2.4
285.99658	0.5
297.22522	0.5
299.04370	2.8
579.28406	100.0
580.28711	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	579.2839
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01236	0.6
59.32403	0.4
63.96108	0.9
69.03330	0.8
69.32977	3.2
71.01250	8.0
73.02819	1.5
78.98453	6.1
79.95598	11.5
80.96384	74.7
81.03329	0.6
85.02824	3.0
87.00742	2.4
94.97956	17.9
96.95869	2.2
97.02827	1.1
99.00722	0.8
101.02306	2.4
106.97977	3.7
113.02304	0.9
122.97453	3.2
125.02325	3.7
127.03905	0.6
134.97481	6.0
136.99043	1.2
146.97502	0.4
148.99042	5.8
152.98528	7.2
152.99695	0.7
164.98526	11.9
167.00073	0.5
188.98466	0.5
206.99626	2.6
225.00684	15.1
226.01080	0.8
233.64534	0.5
279.23364	2.0
299.04370	3.9
300.05078	0.5
377.95407	0.4
579.28400	100.0
580.28772	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	579.2807
Annotation	Unknow
Peak:m/z	Relative Intensity
53.96817	0.2
59.01248	100.0
60.01590	0.8
61.98689	0.3
68.34937	0.2
71.51287	0.3
88.97504	0.2
174.01674	0.4
315.19699	1.4
354.25818	0.2
364.10687	0.2
381.33215	0.2
438.95975	0.2
452.16806	0.2
477.25641	0.3
519.25848	1.5
520.26288	0.3
598.08881	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2822
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20685	0.9
55.01762	1.1
57.03330	1.6
58.02839	12.4
59.01245	18.0
61.98698	22.0
69.31618	5.2
69.32028	2.9
71.01250	8.2
72.00750	3.2
72.99146	1.3
73.02789	3.8
74.02300	3.5
75.00738	1.8
75.69647	0.9
83.01226	1.8
83.04870	1.2
84.00742	1.2
85.02779	2.8
87.00719	1.6
88.98645	2.1
89.02285	2.8
93.03299	3.8
96.95891	1.3
97.00342	0.9
98.01078	1.5
98.02290	1.2
98.19807	1.5
99.00703	2.1
101.02267	3.6
106.58455	0.9
107.04888	1.6
111.01850	1.2
111.68484	0.8
112.02657	1.9
112.07570	1.1
113.02286	2.1
115.08652	7.2
116.04922	6.2
118.06506	7.7
119.04907	14.8
125.02316	1.6
125.07030	2.0
129.10225	23.6
130.08600	1.5
133.02806	1.5
133.05144	2.2
134.06003	8.8
136.07489	1.7
138.05458	1.8
139.08627	3.3
140.07002	2.6
143.04413	1.4
143.11784	1.7
146.05989	1.2
151.08623	1.9
153.10197	1.0
155.07005	1.2
155.08159	20.4
156.04285	1.0
157.09724	4.9
161.04370	1.4
161.07043	1.0
162.05440	3.0
163.03923	7.1
169.09650	3.2
171.10165	1.3
180.06569	27.6
181.06879	1.2
187.04974	2.7
187.10713	2.0
195.07861	1.0
197.09117	2.9
209.11670	3.1
213.13948	7.4
217.13289	3.8
232.13390	1.2
241.13298	2.0
247.14336	1.8
249.16069	12.4
257.12881	9.0
271.16574	1.2
275.14023	4.9
284.14075	1.0
293.11920	1.2
293.15054	20.1
294.15146	1.9
295.18118	13.1
331.24600	1.2
339.04715	1.3
354.21799	6.3
357.26190	1.5
369.06177	1.6
375.27255	2.8
377.18741	2.2
394.21146	1.6
398.20547	1.3
417.24567	1.4
417.31824	1.4
421.17603	5.0
438.20401	4.5
489.10269	1.4
519.31677	1.5
535.29315	3.4
537.32886	1.5
561.26373	2.0
569.84052	1.4
579.13245	4.4
579.27728	100.0
580.13684	1.7
580.28174	22.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	100.0
60.01581	0.9
63.44740	0.8
78.21349	0.9
78.79520	0.9
121.02740	1.0
121.12566	0.7
151.80238	0.7
175.03920	2.2
188.77667	0.8
222.05260	0.9
253.08429	1.1
263.06985	1.8
267.06494	0.9
269.08170	1.9
279.06738	1.5
281.08252	3.7
282.08850	0.9
283.09790	0.9
293.08264	1.3
294.09012	1.5
297.07709	9.6
297.10806	1.4
308.10669	1.3
309.07657	12.5
309.11368	2.8
310.08298	1.1
312.10037	8.1
317.30313	0.8
323.09229	2.1
324.09998	7.2
325.10251	1.4
327.12378	26.9
328.12726	3.2
339.12366	25.9
340.12604	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	579.2576
Annotation	Unknow
Peak:m/z	Relative Intensity
58.60239	3.6
59.01242	43.4
61.98697	15.6
69.78541	15.4
69.78951	10.5
72.99171	7.8
75.00732	4.8
87.00760	5.3
88.98682	10.1
96.95924	8.2
99.00748	8.8
104.53077	4.4
104.81219	4.4
112.98683	15.6
113.99486	5.3
115.00276	8.4
119.60098	4.5
135.02946	4.7
142.99756	10.3
173.00787	12.4
174.01591	100.0
175.02434	23.0
231.10059	7.6
266.16925	4.7
285.99521	6.9
295.22659	10.8
307.19345	4.9
315.19370	14.8
333.20361	4.2
347.22189	7.2
351.08426	4.3
407.24149	7.1
425.25409	12.4
425.89194	5.7
447.23825	12.5
465.24878	11.7
483.25897	11.6
507.26047	7.4
518.56427	4.7
579.13763	15.1
579.25336	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	579.2084
Annotation	Unknow
Peak:m/z	Relative Intensity
56.28552	0.3
56.32003	0.3
56.45134	0.3
58.00463	0.6
59.01250	37.3
60.01591	0.4
69.03342	0.6
70.52541	1.1
71.01254	13.8
72.99182	0.6
73.02821	19.3
74.03172	0.4
75.00757	0.8
77.88977	0.3
81.03342	0.3
83.01258	5.8
85.02829	2.3
85.10294	0.3
85.72290	0.3
87.00768	0.4
89.02314	3.5
93.03336	4.1
95.01273	0.7
95.04919	0.3
97.02851	0.3
99.00758	0.4
101.02324	18.8
102.02679	0.4
105.03357	0.4
108.02036	0.5
109.02849	0.5
113.02332	7.0
119.03403	2.3
121.02843	5.0
122.03634	15.1
123.00822	0.4
123.04469	0.7
124.01547	0.5
125.02335	0.9
128.99062	0.3
131.03415	2.1
133.02878	1.7
135.04445	0.7
136.01523	2.0
137.02357	0.8
143.03381	1.9
146.03641	0.9
149.02348	26.9
149.04439	3.0
150.03128	100.0
151.03462	4.7
155.03404	0.7
161.02391	0.4
161.04474	6.8
161.05840	0.7
162.03122	1.3
163.03914	0.4
164.04700	7.3
165.05482	97.1
166.05833	4.7
177.05496	1.4
179.05634	0.5
179.07011	2.8
180.04204	6.7
183.20235	0.4
193.62349	0.3
195.06555	59.9
196.06915	3.2
203.05475	0.8
221.06622	2.0
245.09344	0.7
251.00648	0.3
283.09711	0.5
312.09952	2.2
327.12363	15.9
328.12640	2.1
334.64230	0.3
375.14481	0.8
471.16602	2.0
519.18652	0.6
531.18774	1.3
537.19476	1.1
538.19604	0.4
579.21643	2.5
580.21729	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2082
Annotation	Unknow
Peak:m/z	Relative Intensity
54.49441	0.9
55.01764	1.1
57.03316	1.6
59.01248	70.5
70.84175	2.0
70.84536	1.1
71.01253	32.6
72.86176	1.1
72.99168	1.3
73.02811	21.5
73.03203	1.6
75.00729	0.9
83.01247	7.6
84.01613	0.9
85.02820	16.6
87.00731	2.2
89.02312	8.1
93.03344	3.2
95.01254	5.5
97.02768	1.0
99.00748	2.0
101.02316	29.4
102.45341	1.1
105.49696	1.1
109.02842	2.4
111.00732	0.9
113.02327	32.7
119.03365	5.5
121.02820	7.8
122.03634	13.3
123.04409	1.4
125.02385	1.1
131.03383	3.7
132.02071	1.6
133.02849	1.5
136.01534	1.8
137.02354	1.2
143.03380	3.0
146.03654	1.5
149.01112	1.3
149.02341	58.6
149.04221	6.2
150.03120	100.0
151.03537	4.2
161.04474	15.3
161.05862	1.9
162.03140	3.4
163.03850	1.6
164.04694	17.5
165.05476	91.4
166.05838	4.1
170.60487	0.9
177.05544	2.8
179.05678	1.3
179.07040	5.8
180.04166	7.2
191.07161	1.4
195.06544	49.9
196.06906	2.7
202.94052	1.1
216.50357	1.0
221.06566	3.3
280.07333	1.0
283.09735	4.4
312.09998	13.4
327.12344	78.3
328.12692	9.5
329.71658	1.0
333.81555	1.1
375.14502	1.5
445.88251	1.0
471.16571	41.1
472.16949	4.7
489.17447	1.8
519.18665	9.3
531.18732	4.5
532.19403	1.2
537.19922	5.5
538.20062	1.2
579.12622	2.0
579.14691	1.3
579.21027	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	579.208
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49287	0.9
59.01255	8.1
60.10514	0.9
61.98696	1.0
71.01250	4.0
71.50928	1.2
73.02802	2.3
78.95796	1.1
83.01248	1.7
85.02826	2.2
86.85091	0.9
89.02299	1.9
93.03325	1.4
96.95878	7.2
96.96840	1.4
101.02307	3.2
107.01286	3.3
107.04899	1.2
109.02833	2.9
112.81377	1.0
115.81123	1.1
119.03355	1.2
119.04889	5.6
121.02897	1.7
123.00780	2.9
123.04395	1.5
125.02341	2.4
128.81422	0.9
133.02875	1.7
134.03662	1.7
135.04416	2.9
137.02327	11.5
138.02612	1.1
149.02383	3.5
150.03076	2.1
151.00269	31.4
151.03949	2.9
152.00603	1.2
152.04703	1.5
153.05453	1.1
158.95963	1.0
159.04434	1.2
161.02365	1.0
161.04315	1.0
162.03053	0.9
162.97968	0.8
163.03893	5.1
164.04677	1.4
165.01843	1.6
165.05479	1.3
166.02621	66.0
167.03279	4.9
174.54538	1.0
175.03961	2.0
177.01859	6.1
177.05458	1.2
178.02596	1.6
179.03427	2.3
179.05481	0.9
179.07054	1.3
180.04201	1.3
181.04979	75.4
182.05280	4.4
184.03607	1.3
187.03952	1.3
193.04951	1.5
194.05956	0.9
195.06584	2.3
205.05151	1.6
207.02980	5.0
207.06618	1.4
208.03543	1.1
212.96692	1.2
271.06174	6.7
272.06174	1.1
279.83478	1.2
359.11121	2.0
375.20169	1.6
387.10840	19.5
388.10907	1.8
393.69141	1.1
399.07129	1.4
402.13428	7.8
403.13522	1.5
417.15549	100.0
418.15900	13.3
459.10751	1.8
475.08795	5.0
561.12274	2.4
579.17065	15.2
579.25500	2.1
580.16962	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	579.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	1.6
61.98707	2.6
68.99684	21.6
71.52461	1.6
84.25161	1.4
92.63840	1.6
93.99376	1.7
108.02055	31.2
109.02851	4.1
122.03601	1.7
123.00816	9.1
123.04412	36.0
132.02051	4.8
133.02873	2.9
138.03123	23.6
147.04417	2.8
150.03128	14.6
153.05527	1.9
160.01566	2.2
161.02361	10.1
162.03146	25.9
163.03967	10.4
165.05554	2.1
175.03957	6.3
177.05504	39.4
178.01189	2.7
178.02649	36.9
179.03294	2.9
193.04999	100.0
193.45802	1.4
194.05374	4.3
208.92670	1.5
218.05795	15.4
222.05283	4.6
231.06342	2.0
237.05496	2.0
266.05890	3.3
278.05807	6.1
282.05182	1.7
287.88580	1.5
294.05276	2.0
302.42017	1.7
306.05402	9.2
307.06027	5.2
310.04697	4.3
313.62305	1.5
320.07019	1.8
321.07678	18.0
322.08313	5.7
324.06445	2.4
325.07220	13.7
329.34732	1.6
335.09268	3.3
336.10049	7.9
337.07135	15.5
337.10645	2.6
338.07541	1.8
339.08856	8.0
340.09506	13.6
341.10025	2.1
352.09610	4.8
354.11032	9.7
355.11801	24.9
367.11865	30.2
368.12201	2.7
453.38193	1.8
519.17517	2.2
536.54498	1.6
549.17151	3.0
579.18799	33.9
580.19080	6.3
585.11462	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	579.1358
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73203	2.3
56.08431	2.5
59.01247	20.9
59.51010	2.4
61.98698	4.5
71.01244	8.5
71.27207	5.2
75.00730	5.8
83.01254	3.1
85.02836	6.4
87.00743	3.2
89.02302	4.6
96.95899	2.6
99.04402	2.9
101.02336	6.2
107.04845	2.6
109.02824	8.7
113.02293	2.8
115.00262	2.9
119.04867	3.2
123.00752	3.2
123.04398	2.9
125.02335	8.7
133.02814	18.1
134.03632	4.7
135.04425	14.0
137.02338	4.9
149.02362	21.1
151.02563	3.0
151.03848	4.6
161.02301	5.4
163.03870	15.2
167.03415	14.3
175.03929	7.7
177.01822	7.2
177.05467	2.7
179.03423	4.6
189.01909	3.9
189.89752	2.5
191.03339	7.0
193.01303	6.5
203.03435	3.6
205.01268	4.3
205.05087	4.6
207.02940	26.9
208.03427	3.5
209.04460	8.1
213.05443	2.8
219.02834	5.1
224.63860	2.5
227.03514	4.1
233.04404	3.3
235.02449	3.2
239.05478	4.8
241.05089	2.7
248.36063	2.5
249.04037	3.4
253.04922	4.0
253.09532	3.0
255.03067	4.9
261.04102	2.7
265.05115	2.6
271.06030	3.6
283.05826	3.0
285.04126	3.1
295.06091	4.1
297.04007	9.2
298.04782	12.1
299.05469	7.1
309.04013	2.8
310.04599	2.9
311.02249	3.0
311.05557	17.2
312.06284	16.1
313.03592	3.8
313.06863	9.2
313.09705	5.7
314.04086	5.4
315.04810	4.0
325.03555	4.4
327.05066	17.7
327.12289	2.7
329.02991	10.6
337.56702	3.2
339.05020	24.5
341.06613	12.5
343.04535	8.3
353.06512	4.1
355.04584	14.9
357.06052	6.9
367.04446	13.1
369.06030	40.5
370.06247	4.4
381.06009	5.6
385.05569	27.8
386.06180	4.8
397.05496	11.2
399.07123	27.6
411.07474	3.9
415.06467	20.6
417.21085	5.0
432.06924	5.5
441.08170	3.4
445.07455	6.2
446.08725	6.7
447.09155	4.3
457.07693	11.0
459.08954	35.4
460.09531	3.7
471.09042	12.9
475.01984	5.4
475.08719	100.0
476.08932	18.1
489.10541	9.3
493.08234	3.1
509.63593	2.9
519.11255	2.7
543.10895	7.2
561.12488	78.8
562.12677	11.6
579.13501	84.4
579.24646	4.0
580.13794	12.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1356
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	2.0
68.42165	1.4
71.01247	2.5
71.07957	3.1
81.14871	1.6
89.63402	1.2
100.04973	1.4
109.02832	5.7
133.02840	19.7
156.94505	1.4
161.02364	2.4
163.03885	1.7
175.03917	5.7
177.01811	2.7
177.05484	2.2
179.03392	2.0
189.05406	1.9
191.03392	3.1
201.01863	2.3
203.03481	2.3
213.05484	2.8
215.75397	1.6
217.04836	1.5
233.04527	3.1
245.04529	2.3
255.06401	1.9
267.06583	2.2
283.06030	3.7
285.03912	2.1
297.04050	6.7
298.04807	17.1
299.05560	8.7
309.04028	3.3
310.04791	2.2
311.02667	1.5
311.05566	9.9
312.06342	18.1
313.03766	2.9
313.07077	18.9
314.07727	2.4
323.05573	3.4
325.03406	2.0
325.07098	3.1
327.05124	13.7
339.05054	30.9
340.05551	4.5
341.06616	12.5
342.06964	2.0
351.05002	2.9
353.06738	8.2
357.06021	5.1
367.04678	2.9
369.06140	100.0
370.06473	11.6
371.07492	2.6
381.06119	15.1
382.06509	2.5
383.07507	2.4
393.06201	2.4
399.07187	78.4
400.07562	7.8
411.07184	11.7
423.07013	3.6
429.08160	14.6
430.08789	2.1
441.08243	5.6
453.08362	2.9
459.09317	13.9
471.09174	3.7
489.10397	23.8
490.10571	4.1
501.10190	1.9
519.11542	6.1
561.12573	3.4
579.13501	84.8
580.13849	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	579.1356
Annotation	Unknow
Peak:m/z	Relative Intensity
54.42859	1.6
57.38432	1.7
59.01242	3.6
69.16275	10.0
69.16702	7.3
71.01250	4.3
75.00750	2.1
79.01741	2.4
85.02811	2.0
87.00720	1.9
89.02313	1.8
93.03354	4.3
94.61330	1.8
95.01244	4.0
97.37535	1.6
100.73370	1.5
107.01264	3.3
109.02789	5.3
110.61062	1.5
111.00734	1.9
117.03342	8.5
119.04910	2.8
121.02814	3.5
123.04427	2.0
124.01546	3.5
125.02354	3.0
126.12698	1.5
133.02844	11.8
135.00711	1.9
135.04420	6.0
137.02356	5.6
139.03828	2.3
145.02852	1.7
147.04388	3.0
149.02338	6.8
150.03091	5.8
151.00270	5.8
151.03889	5.3
159.04414	4.1
161.02304	5.7
163.00244	4.0
163.03918	5.4
164.01085	3.3
165.01808	8.4
165.05426	3.3
167.03400	3.8
171.04359	2.9
173.02405	2.2
175.03885	3.7
177.01895	9.2
177.05502	2.4
178.99852	1.7
179.03377	5.4
180.00499	2.3
187.03966	2.8
189.01822	3.0
191.03418	4.6
193.01317	4.2
195.02856	2.9
203.03392	2.5
205.01373	3.1
205.04927	2.2
206.02071	2.5
207.02927	9.6
207.04930	3.3
209.04489	2.4
211.03902	3.1
214.28458	1.8
219.02936	7.1
220.03764	2.7
223.02133	1.8
225.05521	4.4
231.03049	1.9
233.04495	2.4
235.02461	3.0
241.04996	4.3
242.05768	2.3
247.02472	3.9
249.03967	8.3
253.05168	7.3
254.05675	2.0
255.06586	3.3
261.03748	2.3
267.06540	4.5
269.04520	4.9
270.05014	2.5
279.05151	5.0
281.04611	11.2
283.06070	4.9
284.03232	2.8
285.03970	10.9
295.06189	2.7
297.03824	9.3
298.04810	45.2
299.05502	10.9
304.63898	1.7
309.03906	2.2
310.04849	2.2
311.05365	8.3
312.06342	5.4
313.03500	28.2
313.07126	7.9
314.04028	2.5
323.05579	4.4
325.07181	2.8
326.04199	13.4
327.04968	21.8
327.12729	2.1
328.05762	2.0
330.03748	5.9
339.05093	13.2
340.05582	2.7
341.06683	8.3
351.04984	2.4
353.06653	4.1
355.04791	2.5
357.05942	3.8
365.06192	1.9
369.06165	36.0
370.06348	4.5
371.07532	2.6
381.06036	7.2
385.05643	3.5
399.07217	26.8
400.07541	3.5
411.07217	3.5
416.07285	3.9
417.08206	1.8
429.08148	7.9
443.09595	1.7
446.08490	14.1
447.09058	3.5
459.09320	27.0
460.09583	3.0
471.09473	2.9
475.08530	5.7
489.10394	53.1
490.11066	9.0
519.11273	4.3
561.12524	5.0
579.13531	100.0
580.14001	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	579.1353
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92703	1.6
55.50957	1.5
60.13218	1.4
69.78835	7.1
69.79250	2.6
71.01255	2.6
99.18116	1.8
108.93089	1.7
109.02834	4.4
133.02837	21.1
134.03650	2.2
135.04424	5.5
147.04413	2.2
149.02295	3.1
151.03847	2.7
163.03857	3.7
175.03958	8.5
177.01860	5.0
177.05460	4.7
189.05417	2.3
201.01852	2.9
203.03355	3.7
227.03502	2.0
245.04605	2.4
283.06033	3.3
297.03961	6.7
297.07144	2.0
298.04797	24.0
299.05450	7.9
309.03946	2.0
310.04791	3.7
311.05658	15.1
311.52939	2.0
312.06339	20.9
313.07104	20.9
314.07471	2.5
323.05780	5.5
325.07217	4.5
327.05020	9.2
339.05066	27.9
340.05695	3.3
341.06622	13.9
351.05130	3.3
353.06583	6.9
357.06116	4.0
367.04437	3.5
369.06125	69.9
370.06390	8.9
371.07739	3.0
381.06104	12.9
383.07736	3.4
399.07178	57.2
400.07578	9.0
411.07309	9.6
429.08261	10.3
430.08514	2.3
441.08295	5.4
459.09372	39.4
460.09717	4.8
471.09497	3.1
489.10428	20.6
490.10849	3.2
519.11554	2.8
561.12360	4.1
579.13513	100.0
580.13824	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	579.1356
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02267	0.5
51.03143	0.5
57.35158	0.5
59.01255	1.0
69.80802	2.2
71.01250	1.0
73.85546	0.6
83.01253	0.6
86.79105	0.5
98.19915	0.7
102.16354	0.5
107.01334	0.6
109.02860	2.8
121.02838	0.6
133.02853	9.3
135.04443	1.5
149.02344	1.0
150.03052	0.7
151.03859	0.9
161.02295	0.9
163.00185	0.7
163.03848	0.9
175.03877	2.6
177.01811	2.6
177.05481	0.8
187.03996	0.6
189.05464	0.7
191.03400	1.1
199.03920	1.3
201.01944	1.5
203.03429	1.6
205.05029	0.9
213.05470	0.7
219.02832	0.7
225.05540	0.8
227.03574	0.9
233.04395	0.6
245.04498	1.6
267.06610	1.0
283.05780	1.3
285.04044	1.8
297.04102	3.5
298.04831	8.7
299.05450	4.4
300.06253	0.7
309.03992	1.4
310.05051	1.1
311.05563	6.4
312.06424	8.9
313.03775	0.7
313.07135	8.0
323.05658	2.3
325.03513	0.8
325.07193	0.9
327.05066	7.3
328.05341	0.9
339.05054	13.7
340.05472	1.6
341.06641	6.0
351.04996	1.1
353.06558	3.3
355.04568	1.7
357.06119	1.7
369.06140	43.6
370.06516	4.7
371.07675	1.2
381.06140	4.8
382.06174	0.9
383.07492	0.9
385.05444	1.9
394.06042	0.7
395.07697	0.9
397.05701	1.1
399.07181	28.7
400.07660	3.3
411.07233	3.6
417.08243	1.4
429.08167	7.1
441.08368	1.7
445.07724	6.0
446.07986	0.9
453.07928	1.0
457.07382	0.7
459.09399	12.1
460.09631	1.5
465.06546	0.6
471.09201	3.2
475.08795	8.5
476.09109	1.2
489.10413	29.5
490.10742	2.2
501.10175	1.1
519.11322	6.4
520.11444	0.8
543.11902	0.7
561.13007	2.8
562.13049	0.9
579.13550	100.0
580.13916	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	578.3461
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	24.4
59.58152	0.5
59.94146	0.6
63.01400	0.5
63.29173	0.6
70.20226	1.8
76.08081	0.6
77.25575	0.5
78.95774	25.7
99.95474	0.5
124.83873	0.6
152.99504	2.9
168.04245	3.3
206.98419	0.5
212.82054	0.5
224.06874	9.0
242.07919	2.2
279.23282	100.0
280.23578	11.2
283.36414	0.6
457.30685	0.5
504.30972	65.4
505.31256	11.9
586.16406	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.3461
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	17.3
60.01574	0.2
70.90408	0.5
78.95780	6.7
78.98466	0.4
80.96390	1.9
84.09800	0.2
94.97952	0.4
122.97531	0.4
150.76208	0.2
152.99486	1.0
168.04218	1.5
224.06879	0.8
225.00748	0.2
240.89464	0.2
242.07950	2.6
251.17245	0.2
261.22031	0.3
262.27353	0.2
279.23282	100.0
280.23633	11.6
365.05026	0.3
406.71796	0.2
504.30963	25.4
505.31342	4.6
578.27246	2.8
579.27234	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.3178
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	0.8
61.98700	100.0
69.19273	2.9
71.01266	0.4
78.95752	1.4
78.98479	0.4
79.95605	0.6
80.96394	3.4
87.00797	0.3
89.02325	0.3
90.89929	0.2
94.97987	0.8
96.95897	1.8
101.02341	0.3
160.03839	0.2
164.98610	0.6
196.89432	0.3
223.06898	0.2
225.00780	0.7
225.82352	0.3
262.33249	0.3
279.23389	1.2
280.23636	1.7
281.23975	1.2
504.30890	0.3
578.21985	0.6
578.87244	0.3
579.28406	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	577.359
Annotation	Unknow
Peak:m/z	Relative Intensity
53.05207	1.0
59.01244	15.7
61.98704	1.7
71.01262	2.9
71.04186	1.2
75.86402	1.1
77.62692	1.1
80.96399	1.2
89.02320	2.6
101.02318	2.2
120.80279	1.3
133.46431	1.3
135.04439	1.6
145.43799	1.3
154.05968	1.2
176.97304	1.1
209.13576	1.1
253.09271	12.3
281.08304	1.8
281.24850	100.0
282.25180	12.7
299.04358	3.2
337.07260	2.4
338.32367	1.3
364.46423	1.4
537.05676	1.4
577.15430	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.3225
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35816	0.5
53.59459	0.5
57.03316	2.6
59.01250	42.6
60.01575	0.5
60.66272	0.5
61.98698	3.5
69.72611	3.5
71.01257	4.7
72.99196	0.7
73.02803	2.0
77.27954	0.5
78.95782	1.6
83.01251	1.0
83.04914	0.6
84.02038	2.0
85.02818	2.4
87.00748	1.1
89.02324	3.5
89.40707	0.6
97.02834	1.2
97.06459	0.9
99.04379	0.6
101.02319	3.8
113.02316	3.2
119.03397	0.7
119.04901	0.8
125.08720	0.5
125.09586	3.8
129.63756	0.6
130.02794	0.6
136.06860	0.5
152.99492	0.7
161.04480	1.4
171.10188	7.3
175.02353	0.8
179.05527	0.8
187.09676	2.3
201.33598	0.6
209.11705	1.0
253.09282	6.1
255.11121	0.6
262.68372	0.7
267.19611	7.3
268.19937	1.0
269.04587	1.7
272.80457	0.6
281.04974	0.5
281.08154	1.8
285.20901	2.8
297.03931	0.6
305.17560	1.7
311.05637	1.7
311.25888	0.9
313.23871	4.9
335.99377	0.6
337.07004	3.3
341.23273	11.4
342.23718	1.0
355.24884	100.0
356.25229	11.9
367.08057	1.7
373.25861	4.7
413.08453	0.7
415.30896	0.9
457.11285	0.9
469.36298	0.6
577.15753	6.8
577.28278	8.1
578.15790	2.1
578.29950	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2685
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86904	0.6
59.01241	0.7
63.64075	0.5
63.96103	1.3
69.30010	0.5
69.57048	3.7
71.01256	8.5
73.02814	2.0
78.95766	1.1
78.98458	7.6
79.95601	13.7
80.96385	84.9
85.02379	0.7
85.02811	3.7
87.00745	2.8
87.02385	0.5
94.97958	18.7
96.95859	1.4
97.02809	1.9
101.02326	2.1
106.97930	3.1
122.97435	3.8
125.02324	3.6
127.03896	0.5
134.97452	6.2
136.99014	1.8
148.99036	6.6
152.98546	6.4
164.98538	13.2
170.23746	0.5
181.76978	0.6
188.98495	0.8
206.99596	2.5
207.99847	0.5
225.00682	14.4
247.05423	0.6
277.21793	1.9
299.04324	2.9
577.26831	100.0
578.27148	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	577.2685
Annotation	Unknow
Peak:m/z	Relative Intensity
55.36710	0.4
57.50013	0.4
58.72689	0.4
59.01248	7.7
59.09586	0.5
63.96116	1.1
66.11855	0.5
69.03322	0.9
71.01254	7.3
71.20414	1.0
73.02821	2.2
78.95782	2.9
78.98460	6.7
79.95599	10.3
79.96046	1.0
80.96387	78.3
81.03323	1.0
85.02820	3.4
87.00743	2.9
94.97957	18.6
96.95899	1.6
97.02819	1.5
99.00760	0.9
101.02309	2.5
106.97966	3.5
122.97482	4.2
124.25150	0.5
125.02325	3.3
127.03834	0.7
134.97479	6.2
136.99023	1.4
148.99037	6.0
152.98524	6.1
152.99574	0.7
164.98540	12.0
182.99545	1.1
189.47609	0.5
206.99638	2.6
225.00677	15.0
242.08072	0.9
277.21732	2.8
279.23270	46.2
299.04495	2.9
299.69766	0.5
338.34869	0.5
401.06638	0.5
443.00577	0.5
504.30960	15.6
511.00974	0.5
577.26843	100.0
578.27148	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	577.2867
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78746	0.2
55.01752	1.2
57.03318	0.8
58.00449	0.3
59.01249	100.0
60.01593	1.5
69.03307	0.3
70.55904	0.2
71.01251	16.8
72.99184	0.8
73.02821	3.6
75.00749	0.5
79.95615	0.4
83.01255	2.4
85.02826	7.9
85.99973	0.3
87.00758	1.0
89.02324	3.1
94.86756	0.2
95.01245	1.6
97.02842	0.7
98.20329	1.2
99.00761	1.9
101.02322	9.8
105.03765	0.2
109.02824	0.5
111.00749	0.6
112.01587	0.5
113.02328	8.5
117.03347	0.3
119.03410	0.9
119.04900	0.3
121.02814	0.4
125.02355	0.8
129.01891	0.4
131.03473	0.3
133.02873	1.1
135.04449	0.3
143.03400	1.3
148.27852	0.3
149.02374	0.8
150.02956	0.2
151.04025	0.3
159.02904	1.5
161.02390	0.4
161.04469	6.0
162.04768	0.4
165.01865	0.3
175.03949	0.3
177.01924	0.8
179.03439	0.4
179.05511	0.3
182.75754	0.3
189.01872	0.3
191.03433	0.3
193.01341	0.4
203.03407	0.3
205.03230	0.2
211.17061	0.3
219.02995	0.3
219.14148	0.2
221.06821	0.3
227.03465	0.3
241.05029	0.3
243.03189	0.3
255.06401	0.2
267.06769	0.2
281.08456	0.4
283.06345	0.6
284.03427	0.3
285.03998	0.4
293.04489	0.3
295.06207	0.3
297.04071	0.5
298.04761	0.7
299.05667	0.3
301.03616	0.3
311.05646	0.7
312.06265	0.4
313.03720	0.5
327.05115	0.7
328.05881	0.3
332.10162	0.3
337.03668	0.4
337.07343	1.0
339.05176	0.7
343.04660	0.4
353.06781	0.6
355.04315	0.5
355.21262	1.1
356.04889	0.3
367.08362	0.5
369.06186	0.9
373.22339	1.1
383.07858	0.4
385.05731	0.5
397.05826	0.5
400.26913	0.2
415.19897	0.7
417.08478	0.3
427.06992	0.3
429.08435	0.5
433.07993	0.5
437.82968	0.2
445.07919	1.0
457.07239	0.4
459.09253	0.5
466.98068	0.3
473.10995	0.3
475.08823	0.6
491.08325	0.5
517.26501	19.5
518.26813	3.2
535.27612	7.6
536.27698	1.3
559.10559	0.4
577.13336	3.1
577.28882	0.5
578.13025	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.156
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	0.9
59.01247	7.7
61.98686	1.6
69.49271	4.0
69.49683	1.8
71.01244	3.5
73.02811	1.7
75.00753	1.4
79.01785	1.6
79.95595	2.4
80.96390	2.0
83.01249	1.6
85.02814	2.7
87.00758	1.0
89.02306	1.5
92.16236	0.7
93.03353	1.9
95.01270	1.0
98.20570	0.9
101.02302	1.1
103.61141	0.8
108.02051	1.0
109.02799	4.9
113.02349	1.6
117.03318	1.9
119.04913	1.1
121.02847	4.4
124.01525	1.0
125.02302	1.8
125.59142	0.8
133.02820	4.9
135.00758	1.1
137.02338	8.3
139.03886	1.1
143.04764	0.8
145.02814	2.6
149.02345	1.9
151.00259	1.2
161.02287	1.0
163.00249	2.6
164.00826	0.8
165.01822	10.3
165.98976	1.3
167.08537	1.2
171.04463	3.8
173.02289	0.9
173.05824	0.9
175.00352	1.4
177.01837	1.6
180.00642	1.0
180.05759	1.4
181.06482	1.2
183.08055	2.2
184.05022	1.0
193.01360	0.8
193.06465	2.1
194.59946	0.8
195.08031	3.0
197.06044	1.2
199.03842	1.5
201.05501	0.8
206.02274	0.9
209.06020	3.5
211.03926	1.3
211.07599	7.9
221.06046	1.9
223.03845	1.3
223.07462	1.5
224.04651	2.5
225.05473	2.1
227.06969	1.8
237.05496	3.4
239.03481	3.8
239.07031	6.2
241.05069	1.7
253.05061	6.1
254.05486	1.8
255.06589	2.9
265.05151	3.7
267.03278	4.7
267.06561	6.4
268.03745	16.4
269.04507	12.0
270.04886	1.5
279.06546	1.8
281.04556	7.0
281.07825	1.5
282.05261	8.5
283.06064	16.5
284.03238	1.2
284.06442	1.4
285.03976	1.8
293.04541	3.4
295.06128	6.6
297.03958	3.9
298.04773	5.6
299.05267	2.3
307.06009	0.9
309.04041	11.3
310.04730	1.8
311.05588	98.5
312.05988	9.4
314.04425	1.3
323.05536	6.0
324.05914	1.2
325.07257	1.1
327.05048	10.2
328.57803	0.9
337.07242	0.9
339.04993	1.1
341.06613	21.7
342.06906	2.5
353.06604	2.7
353.10641	1.4
357.06146	5.6
358.06342	1.1
367.08304	1.8
377.06302	1.1
395.07770	2.1
397.09250	1.0
413.08640	5.4
415.10284	2.0
416.31229	0.9
471.15411	3.4
473.10818	4.9
517.29889	1.7
559.14447	2.5
565.27435	0.8
577.15570	100.0
578.15894	19.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.156
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33759	0.4
54.22893	0.4
59.01255	4.1
62.46888	0.4
65.00204	0.6
66.04718	0.4
69.23932	0.4
70.98544	0.7
71.01244	1.2
73.02800	0.4
74.62314	0.5
77.03820	2.6
79.01763	1.6
85.02807	1.4
89.02315	1.2
90.95123	0.5
101.02363	0.5
101.90586	0.4
105.03342	1.2
113.02346	0.9
119.04916	1.0
121.02856	2.6
125.02293	0.7
143.04906	2.1
145.02853	3.0
149.02319	1.4
157.06490	0.5
165.01816	1.4
167.08565	0.6
171.04440	0.7
175.00293	1.2
178.70543	0.4
180.05731	0.8
181.06516	2.5
193.06552	0.5
193.90240	0.5
194.07288	1.1
195.08049	1.3
221.05988	0.8
223.07608	5.5
237.05576	1.5
238.06192	1.3
239.07184	0.9
249.05374	0.5
251.06868	0.5
253.04927	0.5
263.07199	0.7
265.05035	4.9
266.05768	3.3
267.06598	55.3
268.06943	5.7
275.06924	0.5
277.05057	3.4
278.05359	0.5
279.06494	1.0
289.08582	0.4
291.06522	2.1
292.03796	0.9
293.04520	3.1
293.08231	3.1
294.05182	0.5
295.06097	100.0
296.06418	10.7
298.04770	2.6
299.04871	0.7
305.04614	1.2
305.07944	0.4
307.06088	0.8
309.04391	0.8
309.07709	9.1
310.08090	1.2
317.08267	0.9
319.06223	2.2
333.07709	2.6
337.03107	1.1
337.07172	20.8
338.07516	2.3
343.05930	0.5
348.43710	0.5
361.07205	2.4
379.08121	4.4
380.08932	0.5
388.20016	0.5
397.09274	8.9
398.09805	1.2
499.12045	0.6
526.68860	0.5
577.15588	62.7
578.15881	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	577.1559
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85157	0.5
59.01256	3.3
59.57675	0.5
69.62940	2.6
69.63347	0.8
69.78300	0.5
71.01257	2.8
73.02798	0.7
77.03821	0.7
79.01759	0.9
83.01260	0.9
85.02841	0.8
89.02310	1.3
93.03324	1.7
95.01212	0.6
96.18495	0.5
101.02318	1.1
102.98458	1.5
113.02319	1.0
117.03328	6.0
119.04894	1.8
121.02823	1.2
133.02820	1.3
135.04402	2.1
137.02260	0.8
145.02852	0.6
147.04367	1.1
149.02307	2.0
159.04391	1.2
161.02356	3.0
163.03934	2.9
165.01871	1.4
175.03960	1.9
177.01826	0.6
177.05463	1.5
183.04515	0.8
184.28783	0.7
185.10599	0.5
187.03937	1.1
189.01909	0.7
191.03438	2.4
197.05911	0.7
203.03481	1.9
224.04860	0.6
225.05525	0.7
233.04498	0.7
237.05435	0.7
239.07082	0.9
252.08141	0.6
253.04962	0.8
253.08546	0.6
267.06674	1.0
268.03839	0.7
268.07397	0.7
269.04498	2.7
279.06577	1.1
281.04578	3.8
281.08182	2.9
282.05273	4.2
283.06094	22.8
283.09256	1.1
284.03442	0.9
284.06497	1.8
293.04538	0.9
293.07901	1.0
295.02759	0.8
295.06024	6.2
296.06760	2.6
297.04059	4.8
297.07663	17.0
298.04718	1.2
298.08041	1.5
305.04263	0.6
307.06107	2.1
309.03973	2.7
309.07629	3.5
311.05579	40.3
312.05963	5.2
314.04156	0.8
319.05862	0.6
321.07501	0.8
323.05548	7.3
324.06079	1.2
325.07108	10.9
326.07556	1.1
327.05124	1.5
328.05853	2.9
335.05615	2.3
337.07162	7.8
338.07562	0.8
339.04968	0.9
341.06622	10.6
342.07062	1.1
353.06613	39.0
354.06982	5.2
355.08124	1.4
356.05093	1.2
365.06650	6.1
366.06961	1.0
367.08051	3.9
371.07578	0.6
377.06720	0.9
380.08255	0.6
383.07666	20.1
384.07907	3.3
395.07608	3.7
396.07910	0.6
397.09341	1.2
409.15622	0.6
413.08783	3.6
415.10394	2.8
421.81787	0.6
425.08459	1.0
442.17139	0.6
457.11380	13.4
458.11700	2.2
469.11664	0.8
473.10681	1.2
487.12686	5.0
488.12878	0.9
559.14563	0.9
577.15582	100.0
578.15991	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	577.1566
Annotation	Unknow
Peak:m/z	Relative Intensity
57.63658	1.4
59.01248	4.9
61.98692	1.0
71.01248	3.1
71.51382	1.1
71.51815	1.2
71.71945	1.0
73.02786	1.2
77.03829	2.7
79.01759	1.9
85.02798	1.4
85.65839	0.9
89.02314	1.8
89.66920	0.9
104.42237	0.9
117.03310	5.3
119.04899	2.0
121.02850	4.8
129.65588	0.9
129.94627	0.9
133.02902	1.5
135.04449	2.4
137.02122	0.9
145.02849	2.6
147.04355	1.1
149.02287	2.2
159.04367	2.6
161.02368	5.9
162.03123	2.6
163.03958	2.3
163.06018	1.2
165.01833	2.6
173.02271	1.2
173.05885	0.9
175.03928	1.4
177.05504	2.2
189.01892	2.3
191.03464	2.1
197.05928	1.2
203.03485	1.0
209.09734	1.3
224.04672	1.8
225.05513	1.3
237.05559	1.1
237.09137	1.4
238.06343	1.3
239.07027	3.3
251.07086	1.0
252.07797	1.9
253.05124	1.4
267.06570	3.3
269.04544	3.2
279.06595	4.3
280.07193	2.3
281.04590	6.1
281.08163	22.1
282.05185	2.6
282.08499	2.3
283.06100	51.3
284.06430	4.8
291.06644	2.5
293.04590	2.9
293.08127	1.9
295.06158	8.3
296.06680	1.2
307.06168	2.9
308.06610	1.4
309.04263	1.4
309.07617	10.7
310.07950	2.0
311.05603	90.4
312.06006	12.6
314.04483	3.3
319.06290	1.3
321.07645	3.2
323.05576	8.3
325.07263	1.6
337.07175	42.4
338.07578	5.0
339.05060	1.4
340.05832	1.3
341.02704	1.8
341.06619	19.7
342.07080	2.4
349.07120	4.6
353.06680	2.9
367.08252	18.5
368.08502	2.1
379.08359	1.8
395.07660	2.7
397.09210	2.3
409.09409	1.1
415.10483	1.7
457.11517	22.6
458.11615	2.1
478.54410	1.1
487.12393	2.0
577.15613	100.0
578.16077	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	577.1561
Annotation	Unknow
Peak:m/z	Relative Intensity
55.46008	0.3
59.01237	0.3
67.91413	0.3
70.79161	0.3
70.79501	0.7
71.01264	0.6
75.66086	0.3
79.01774	0.4
87.00762	0.3
101.02314	0.4
119.04890	1.0
121.02847	0.3
126.58953	0.3
135.04340	0.4
145.02826	0.9
146.33394	0.3
149.02347	0.4
161.02364	0.6
163.03915	1.1
177.01730	0.4
191.03418	1.4
203.03383	0.7
208.08748	0.4
221.04457	0.8
252.07928	0.8
253.08313	0.4
267.06604	1.6
279.06677	1.5
280.07346	1.2
281.08173	11.7
282.08521	1.1
291.06625	1.2
293.08163	1.2
295.06042	2.1
307.06177	1.4
308.06760	1.3
309.04346	0.6
309.07660	6.0
310.07932	0.9
312.06564	1.8
319.06134	1.2
321.07642	1.5
326.66159	0.4
335.05484	0.6
337.07162	40.0
338.07559	4.3
339.08621	1.3
340.05847	1.0
341.06061	0.4
349.07068	4.3
350.07407	0.5
351.08868	0.4
352.29224	0.4
367.08206	21.0
368.08566	2.9
379.08188	2.3
380.08487	0.4
381.09811	0.4
397.09198	1.6
409.09409	0.9
457.11386	15.0
458.11707	1.6
464.12344	0.3
487.12332	3.9
488.12708	0.7
559.14551	1.0
577.15588	100.0
578.15936	15.8
582.95831	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1559
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81472	0.7
59.01245	7.8
61.98686	0.9
67.37550	0.7
69.41174	1.5
69.41582	3.6
71.01252	2.4
73.02780	0.7
76.68912	0.5
78.95721	0.6
81.03316	0.6
83.01270	0.8
85.02826	0.9
89.02316	1.3
101.02306	1.2
107.82700	0.7
109.02814	0.7
121.02807	0.7
132.02104	0.8
133.02840	9.1
134.03670	2.9
135.00745	0.6
137.02242	0.7
149.02306	0.8
153.09421	0.7
157.28017	0.7
161.02333	1.7
163.00272	2.5
163.03918	0.9
164.01045	0.6
165.01871	0.9
173.02307	1.4
175.00237	2.1
175.03931	1.9
177.01848	1.1
189.01935	0.7
191.03368	0.7
199.03922	0.8
201.01892	1.1
211.03770	0.7
211.07616	0.8
218.53906	0.6
225.05557	1.2
227.03487	1.2
239.07245	0.6
241.05019	1.8
253.05186	2.0
254.05418	0.7
255.06584	0.8
265.04861	0.8
267.03009	0.8
268.03647	1.0
269.04501	2.6
270.05151	1.4
281.04846	1.3
281.07944	1.0
282.05243	2.3
283.05984	1.4
284.03281	4.3
285.04050	8.6
286.04263	1.6
287.04321	0.9
295.06119	0.7
297.04037	16.2
298.04797	58.4
299.05283	10.0
300.05527	0.8
309.04022	18.1
310.04437	2.2
311.05588	15.1
312.05951	1.8
325.03406	2.3
326.04190	1.5
327.05057	21.2
328.05411	2.7
330.03738	3.8
337.03482	0.9
337.07169	1.5
338.04340	2.4
339.04999	6.6
341.06619	3.2
351.05017	1.2
353.02829	2.0
353.06760	1.0
355.04538	0.9
357.06171	11.1
358.06384	1.1
369.06158	1.9
385.06030	0.9
395.07663	1.8
397.08990	0.8
411.07086	0.7
413.08704	14.7
414.08954	1.9
415.10223	2.1
430.08762	0.8
431.09686	2.1
473.10861	20.1
474.11230	3.0
527.49139	0.7
559.14569	2.1
577.15582	100.0
578.15985	19.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1561
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01240	4.6
59.31021	0.8
61.98680	1.5
63.02264	0.9
70.79663	1.0
70.80009	1.9
71.01244	2.2
73.02808	2.0
75.11449	0.9
85.02805	1.2
89.02291	1.5
93.65177	0.9
96.95831	0.8
101.02264	1.2
105.03298	0.9
114.36115	0.8
117.03339	1.6
119.03411	0.9
125.02364	1.3
129.81163	0.8
133.02831	8.9
134.03619	6.3
135.00815	1.0
135.04454	1.1
149.02368	1.1
149.05954	1.1
151.00316	1.1
156.26836	0.9
161.02289	2.0
163.00284	2.7
163.03917	1.6
165.01836	1.6
173.02402	0.9
175.00211	1.4
175.03943	1.0
177.01904	1.5
178.02644	2.2
181.14223	0.8
193.04977	10.5
201.01897	1.8
213.05362	0.8
225.05470	1.7
227.03555	1.0
241.05022	2.3
253.05087	1.6
255.02777	1.3
265.04913	1.3
267.06589	3.0
269.04526	37.0
270.05185	4.2
281.04715	1.8
281.08069	1.3
282.05289	1.3
283.06265	1.3
284.03180	5.3
285.04053	10.0
295.06146	5.4
297.04016	20.4
298.04791	96.5
299.05316	12.8
309.04065	15.5
309.07410	1.8
309.28027	0.8
310.04327	1.9
311.05594	6.1
312.06265	1.4
314.04056	1.6
323.05588	1.9
324.02484	1.1
325.03427	5.0
326.04248	3.6
327.05035	24.5
328.05392	2.5
330.03668	5.8
337.03268	1.1
337.07040	2.1
338.04129	2.8
339.05051	6.4
341.06436	1.7
351.05191	1.0
353.02966	6.6
353.06619	1.4
355.11832	1.2
357.06082	11.3
358.06607	1.1
369.06079	2.1
373.12955	1.6
377.06689	1.4
395.07693	3.3
399.07059	0.9
413.08731	11.6
414.09003	1.4
415.10587	1.2
415.20197	0.9
430.08453	1.0
431.09723	3.8
457.11923	1.2
473.10849	33.8
474.11160	3.4
545.12787	2.0
559.14655	3.4
560.14636	0.9
577.15552	100.0
578.15894	18.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.156
Annotation	Unknow
Peak:m/z	Relative Intensity
55.22830	0.5
59.01254	7.4
71.01252	1.1
71.27999	1.1
85.02824	1.4
92.20105	0.5
96.13551	0.7
97.02792	0.6
109.02841	1.3
119.04925	0.8
121.02792	0.7
124.64011	0.5
124.85522	0.5
125.02346	1.2
127.25175	0.6
131.01260	1.3
133.02838	17.2
134.03148	1.0
135.04395	1.2
143.78052	0.6
149.02356	1.9
151.00301	0.7
153.57101	0.5
161.02336	2.3
163.00278	1.7
163.03883	2.6
165.01898	1.2
167.26491	0.5
173.02374	1.5
175.00278	5.3
175.03899	2.8
177.01907	1.1
191.03409	2.2
193.01392	1.5
199.03935	1.7
201.01897	1.8
203.03461	0.5
213.05550	0.7
225.05513	1.0
227.07065	0.7
231.06607	1.1
235.03767	0.7
236.28278	0.6
237.05569	1.1
240.04181	0.7
241.04898	0.9
253.05023	1.2
255.02864	0.7
255.06607	0.9
265.05051	1.9
267.02957	1.9
269.04456	1.8
281.04596	1.1
284.03235	8.0
285.04050	7.8
286.04385	0.7
297.04022	22.5
298.04776	17.4
299.05582	18.6
300.05957	1.8
309.04047	66.4
310.04391	7.9
311.05637	3.9
312.06128	0.8
327.05090	100.0
328.05457	11.6
337.06824	0.7
339.05106	5.2
341.06628	1.0
357.06137	38.8
358.06482	3.5
369.06232	2.7
370.06439	0.7
377.06613	1.2
395.07730	1.6
413.08759	23.6
414.09152	3.3
433.11380	1.4
473.10864	18.3
474.11377	3.6
545.13300	0.6
546.41797	0.8
560.77826	0.6
577.15588	49.7
578.15906	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	576.3306
Annotation	Unknow
Peak:m/z	Relative Intensity
55.10218	0.5
59.01250	30.6
61.98690	0.7
70.65085	1.5
71.01244	0.5
78.95775	29.2
80.96377	2.3
81.74887	0.5
94.97959	0.7
96.96799	0.5
122.98425	0.7
137.38596	0.4
152.99493	3.5
168.04187	4.3
212.38266	0.4
224.06871	11.6
225.07185	0.6
242.07948	2.8
249.72072	0.4
259.20615	0.7
277.21707	100.0
278.22043	11.0
285.82706	0.5
298.32486	0.4
337.07162	1.1
483.55466	0.5
488.78986	0.5
502.29379	75.4
503.29703	11.1
577.16736	2.4
577.26703	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	577.1563
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04977	0.3
56.33798	0.3
59.01244	2.8
61.98698	0.8
64.55180	0.4
71.01249	0.9
71.11530	0.7
85.02799	0.4
87.00772	0.4
89.02327	1.0
89.03864	0.6
101.02299	0.6
107.24925	0.3
109.02874	1.9
130.32347	0.4
131.04915	0.5
133.02847	10.9
134.03178	0.6
147.04407	1.0
161.02377	0.4
161.04399	0.4
163.00227	0.5
172.30347	0.4
175.02359	0.6
175.03900	6.8
176.04216	0.4
177.01862	5.6
191.03418	0.6
196.67163	0.4
199.03886	1.7
201.01831	2.2
224.04881	0.5
225.05470	1.7
239.07124	0.7
265.04843	0.5
267.06610	1.8
269.04556	1.3
280.62164	0.4
281.07941	0.4
282.05411	0.4
283.06290	0.6
284.03250	2.5
285.03961	1.2
287.04431	0.5
293.04706	0.7
297.04050	2.3
298.04675	1.8
299.05154	0.6
309.04031	13.0
310.04700	7.7
311.05588	100.0
312.05917	10.9
323.05582	0.6
325.07187	4.1
327.05081	1.2
337.07141	1.0
353.06628	17.4
354.06839	2.5
357.06293	0.5
379.08047	0.6
397.09296	1.6
411.07327	0.5
412.07642	0.8
413.08234	1.8
415.10312	88.7
416.10635	11.2
473.10855	10.0
474.11188	1.6
515.11829	0.6
517.30414	0.7
559.14459	1.0
577.15515	16.9
577.29779	2.2
578.15649	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	576.3022
Annotation	Unknow
Peak:m/z	Relative Intensity
54.49410	0.3
58.16410	0.3
59.01244	0.6
61.98699	100.0
65.37721	0.3
70.99742	0.9
71.01248	0.3
77.93980	0.3
78.95786	0.5
80.96395	1.1
88.32537	0.3
105.02409	0.3
109.24712	0.3
127.75230	0.3
137.83406	0.3
155.89003	0.3
196.89505	0.4
220.25554	0.3
277.21912	0.7
277.42990	0.3
278.22098	1.0
279.22546	0.9
280.22574	0.5
286.52530	0.3
352.93323	0.4
400.14023	0.3
577.26947	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	576.3308
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23670	0.4
59.01247	20.9
61.98683	0.9
66.92564	0.4
68.80126	0.4
71.01253	0.5
71.05221	0.8
78.95770	7.8
80.96380	0.4
152.99445	1.7
168.04201	1.6
177.25562	0.4
224.06900	1.0
233.22682	0.5
242.07896	3.2
259.20511	0.5
277.21704	100.0
278.22052	9.9
337.07303	0.5
367.07950	0.5
473.10559	0.5
502.29388	33.2
503.29733	5.5
577.15729	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	576.302
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98698	100.0
67.35957	0.4
69.38019	3.4
78.95773	0.4
79.78950	0.4
80.96390	0.7
82.57809	0.3
98.19777	0.6
118.73728	0.4
132.80467	0.4
165.82405	0.4
169.74417	0.4
179.46274	0.4
211.67401	0.4
213.08875	0.4
277.21506	0.4
278.22141	1.0
279.22491	0.6
313.69522	0.4
329.95447	0.4
377.92081	0.4
403.79291	0.4
566.70355	0.4
571.49261	0.4
577.26831	1.0
585.81262	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.3435
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27856	0.5
54.95906	0.6
59.01251	16.0
59.23438	0.5
69.30727	5.2
71.01244	4.1
73.02789	1.1
78.95787	3.0
85.02820	0.7
87.00742	0.9
89.02325	3.2
96.95882	0.8
101.02328	4.3
107.06811	0.4
113.02284	1.8
119.03390	1.1
136.63246	0.5
152.99524	1.0
161.04466	1.6
179.05603	0.7
198.18784	0.5
200.78992	0.5
230.99036	0.6
235.08147	1.3
253.09261	19.2
253.11906	1.2
254.09555	1.1
279.23282	100.0
280.23645	9.9
288.75702	0.5
575.29797	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	575.3434
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01746	0.4
59.01245	16.6
60.76276	0.3
64.75323	0.3
66.28323	0.3
69.26577	0.9
69.26990	2.1
71.01254	2.7
72.95937	0.3
73.02814	0.6
78.95764	0.8
83.01263	0.5
87.00747	0.5
89.02307	2.6
92.50468	0.3
96.95889	0.4
98.41576	0.3
98.54032	0.3
101.02325	3.0
102.85237	0.3
105.62075	0.3
113.02312	1.4
119.03362	0.6
143.03302	0.4
152.99542	0.3
161.04422	1.4
179.05505	0.6
184.35930	0.3
221.59586	0.4
235.08150	1.4
253.09253	14.5
254.09645	0.7
257.23807	0.5
279.23260	100.0
280.23624	10.7
280.26718	0.5
298.67261	0.3
299.29172	0.3
330.26163	0.3
348.98242	0.3
421.94315	0.3
442.01816	0.3
575.29614	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	576.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01260	0.6
61.98699	13.9
62.96267	1.1
71.01253	1.7
71.50067	0.9
75.04305	0.5
78.95772	100.0
78.98477	0.8
79.95616	1.4
80.96385	9.6
85.02835	0.7
87.00723	0.7
94.97975	2.3
96.95881	4.3
96.96832	6.9
98.95477	3.8
99.92454	4.6
100.93228	0.9
103.92797	0.7
106.97925	0.6
115.91953	21.5
116.91980	1.6
116.92735	14.1
121.02842	1.0
122.31229	0.5
125.92725	0.7
127.99766	0.6
134.27403	0.6
134.97493	0.6
138.97896	1.1
141.92313	0.6
141.95874	0.9
142.94351	0.6
152.98544	0.5
152.99524	5.8
163.89626	1.2
164.90366	0.9
164.98540	1.9
171.00552	4.5
172.95427	3.3
178.88315	3.2
179.89140	20.2
180.89958	12.9
181.90668	2.4
191.03368	1.0
194.87830	1.3
196.89413	32.2
197.89430	1.8
205.90765	0.8
205.93065	2.7
206.91470	1.7
208.89369	0.9
225.00790	1.7
234.90720	0.8
235.91766	1.4
236.92590	4.9
237.92224	0.7
252.92038	0.6
253.92834	0.9
278.93631	1.0
279.23187	1.6
299.94153	0.7
317.59833	0.6
325.23254	0.5
379.28494	3.0
384.22742	0.6
402.24048	4.4
467.15247	2.2
468.16010	6.0
469.16083	0.9
476.27765	5.2
484.15973	0.9
485.16382	6.6
486.16412	0.8
528.18048	2.5
540.18201	2.3
541.17767	0.6
558.19354	5.3
559.19519	1.5
572.17010	2.8
576.20306	38.9
577.20056	6.2
577.27032	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	575.1404
Annotation	Cassiaoccidentalin B
Peak:m/z	Relative Intensity
54.54245	1.0
59.01241	4.5
61.98690	1.5
65.00200	1.7
70.06007	5.1
71.01247	2.0
72.34502	1.0
76.21803	0.9
83.01239	1.0
87.02312	0.9
109.02827	4.6
111.67027	0.9
121.99617	1.1
125.02375	1.0
133.02837	24.6
134.03223	1.1
135.04454	1.9
147.04364	1.5
149.02316	3.5
151.00226	2.8
161.02356	4.7
163.00287	7.8
163.03853	2.7
165.01776	1.6
175.03947	7.9
177.01875	2.7
191.03377	1.8
193.01450	2.2
199.03883	2.7
200.01109	1.3
201.01810	6.6
202.99762	4.5
211.03937	1.6
213.05420	1.7
217.04999	1.4
218.99382	2.1
219.02885	2.4
225.05473	3.3
227.03372	1.9
229.04974	1.6
233.04433	4.9
240.04242	1.4
241.05054	1.8
245.01009	2.8
251.03418	1.4
253.05013	3.5
255.02914	2.8
257.04523	10.0
258.04752	1.5
259.02673	1.1
265.04868	1.2
267.02744	1.3
269.04510	4.1
275.05576	7.1
281.04294	1.3
284.03253	10.0
285.04044	83.2
286.04330	6.0
293.04483	3.1
297.04037	67.7
298.04672	21.9
299.05563	21.3
300.05930	1.3
301.03510	31.2
302.03802	2.0
309.03946	10.3
310.04291	2.8
311.02353	1.0
311.05588	23.1
312.05908	2.2
321.04044	1.1
325.03519	6.3
327.05081	100.0
328.05502	10.7
337.03516	34.0
337.07544	2.2
338.03839	5.2
339.04904	4.7
351.04947	2.6
355.04428	4.2
357.06247	1.2
365.06540	3.0
367.04221	1.2
367.08319	2.8
385.05820	1.4
393.06296	8.4
411.07187	91.0
412.07578	11.4
473.10852	30.5
474.11130	2.9
509.21423	1.9
527.16724	2.2
575.13995	17.5
575.22437	2.3
576.14166	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	575.1404
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01235	3.1
69.09595	1.0
71.01231	2.9
71.36970	1.5
73.02817	1.4
85.02805	2.2
87.00747	2.4
89.02304	2.7
93.03336	2.2
101.02293	1.5
109.02798	1.5
113.02327	1.3
117.03337	12.9
119.04877	1.7
121.02823	1.4
123.04391	1.3
133.02853	2.4
135.04372	2.9
137.02361	1.5
145.02835	1.7
147.04353	1.5
149.02344	1.5
150.03120	0.9
151.03755	1.2
159.04436	1.7
161.02359	8.7
161.05913	1.3
163.03914	2.6
165.01782	1.5
171.84731	0.8
173.02388	1.7
175.03903	5.0
176.01079	1.5
177.01840	5.1
179.03400	1.2
187.03944	1.3
189.01860	3.6
191.03397	3.6
201.01875	2.0
203.03374	4.7
205.01363	2.8
207.02998	1.9
213.05276	1.2
215.03444	1.1
217.01404	1.5
217.04984	1.9
219.02853	2.7
221.04369	1.8
223.07578	1.7
231.02902	3.2
233.00815	1.2
233.04485	1.5
235.07600	1.7
237.05635	1.1
239.07091	2.2
241.05234	1.1
245.04510	2.4
247.05992	2.3
250.06334	1.0
251.07121	3.5
253.04988	2.0
253.08630	1.4
257.04584	1.6
263.07129	2.8
267.06641	3.1
268.07272	1.5
269.04459	3.2
275.05560	13.7
278.05603	1.4
279.06570	2.6
281.04550	6.1
281.07944	1.4
282.05243	3.2
283.06104	15.4
287.05524	1.1
293.04688	2.4
293.08057	1.8
294.05249	3.0
295.06070	20.9
295.09067	0.9
296.06763	4.0
297.04172	2.7
297.07581	12.8
298.04770	1.0
298.08224	1.3
298.11710	1.1
299.05502	1.2
305.06763	4.1
307.06104	13.8
308.03195	1.8
308.06558	2.4
309.04007	3.4
309.07635	6.6
311.05573	22.3
314.04376	1.4
317.06628	1.6
319.06009	1.8
321.03983	4.5
321.07642	3.1
322.04736	5.3
323.05533	25.1
324.06076	3.1
325.07080	8.2
327.05042	1.3
328.05750	4.9
333.07758	1.2
335.05698	5.9
337.03439	1.7
337.07092	10.5
339.05170	6.1
339.08719	1.3
340.05948	1.2
341.06592	6.4
349.07147	3.4
350.04312	1.8
351.05087	34.3
352.05353	3.9
353.02271	1.2
353.06622	21.7
354.07019	1.6
355.08463	1.1
357.06329	1.0
363.05023	6.0
365.06622	7.2
367.04205	1.1
367.08331	2.3
369.06155	7.7
370.06656	1.3
381.06091	11.5
383.03122	1.9
383.07712	22.8
384.07822	2.4
391.08212	1.7
393.06131	1.5
395.09821	4.5
399.07300	2.0
409.09375	2.4
411.07077	3.2
413.08658	7.7
419.07886	1.3
425.08771	1.3
427.10294	3.3
431.10214	4.5
437.08804	3.6
441.08597	0.9
443.09970	4.8
444.10004	1.1
455.09845	4.8
457.11884	1.6
459.09329	6.8
467.10043	1.3
471.09290	57.6
472.09467	7.5
473.10745	9.3
474.11020	1.4
483.09393	2.1
485.10910	9.6
486.11368	1.4
487.08295	1.2
489.10422	6.1
501.10388	14.2
502.10522	1.9
503.11920	30.7
504.12225	3.8
531.11438	20.4
532.11865	2.2
557.13080	21.2
558.13184	3.6
575.14026	100.0
576.14386	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	575.1404
Annotation	Unknow
Peak:m/z	Relative Intensity
55.21033	0.8
59.01242	5.4
65.00181	1.4
69.57099	4.9
71.01258	1.5
73.02828	1.1
87.00771	0.8
89.02303	1.9
93.35287	0.9
98.20516	1.9
101.02332	1.1
103.03869	1.2
109.02822	2.1
117.03325	1.9
119.03394	1.1
125.01054	0.8
132.02258	0.9
133.02835	18.5
133.14938	0.8
134.03450	1.0
135.00755	1.3
141.86258	0.8
145.02861	0.9
149.02321	2.0
151.00311	1.5
161.02347	4.4
163.00246	6.0
163.03938	1.2
175.00307	2.1
175.03943	2.4
177.01830	3.1
187.03864	1.4
189.01831	1.4
197.06058	1.1
199.03960	2.3
201.01823	4.2
202.99747	1.8
203.03340	1.1
225.05473	2.1
226.02605	1.0
227.03609	1.2
229.01337	1.4
230.38351	1.0
231.02972	1.5
233.04605	1.0
241.05051	1.8
251.03503	2.0
253.05022	2.8
255.03026	2.6
257.04529	3.2
269.04575	4.0
270.05222	1.5
275.05826	1.6
279.02884	1.2
281.04712	1.2
282.05319	1.2
283.06021	1.1
284.03159	5.7
285.04013	47.6
286.04507	4.5
293.04480	1.1
295.06192	1.2
296.06931	1.3
297.04034	77.5
298.04773	70.2
299.05484	16.0
300.05722	1.2
301.03549	6.9
302.03638	1.2
308.03311	1.3
309.04016	20.1
310.04620	3.3
311.02322	1.1
311.05588	22.4
312.06024	3.4
313.03583	5.4
321.04144	5.3
323.05551	4.7
324.02820	4.4
325.03506	87.2
326.03952	8.3
327.05051	19.0
327.08954	0.7
328.05661	1.6
330.03830	4.1
337.03491	28.1
337.07449	1.9
338.04007	5.6
339.05087	14.3
340.05515	1.7
341.06564	1.1
343.04764	1.5
349.03476	1.7
351.05148	2.9
353.02902	6.8
353.06754	4.7
354.07358	1.1
355.04559	3.8
357.06125	10.9
358.06369	1.4
365.06686	2.5
366.03708	5.9
367.04523	47.2
367.08173	2.5
368.04913	5.5
369.06180	2.7
381.06155	1.2
383.07721	5.4
384.04770	1.7
385.05585	9.1
386.05777	1.1
393.06152	3.5
399.07666	1.2
400.07147	1.0
411.07187	71.6
412.07550	7.6
413.08694	1.9
428.07349	8.1
429.08209	20.0
430.08688	1.5
455.09741	1.3
462.51071	1.1
471.08679	2.0
472.09958	1.3
473.10901	15.4
474.11298	1.6
489.10141	3.0
513.10559	3.0
531.11353	12.3
532.12115	1.9
557.12640	1.5
575.14032	100.0
576.14307	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	575.1404
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21962	0.3
59.01258	3.3
71.01250	1.8
71.30456	0.7
73.02803	0.9
75.56544	0.3
79.01762	0.5
83.01235	0.5
85.02821	0.9
89.02321	1.0
93.03330	1.9
95.01284	0.5
96.95895	0.6
101.02330	0.8
105.03343	0.5
107.01176	0.4
107.04948	0.4
109.02785	0.5
113.02308	0.9
117.03339	6.1
118.03651	0.7
119.03419	0.4
119.04896	1.1
121.02762	0.7
133.02815	2.6
135.04425	2.5
140.46446	0.4
145.02878	0.6
147.04443	0.8
149.02335	1.3
149.06056	0.4
151.03873	0.9
159.04376	1.1
161.02354	3.9
161.04637	0.4
161.05980	0.4
163.00288	0.7
163.03851	1.9
165.01794	0.8
171.87012	0.4
173.02335	0.6
175.00290	0.4
175.03889	2.5
177.01834	2.0
177.05533	1.5
179.03426	1.5
183.04384	0.4
189.01797	1.7
189.05482	0.6
191.03444	1.7
197.06082	0.6
199.03920	0.6
201.01819	0.8
201.05467	0.4
203.03424	1.5
205.01389	1.0
205.05008	0.4
207.02879	3.1
210.06752	0.4
219.02892	0.9
221.04362	0.6
223.07593	0.4
225.05612	0.8
227.03540	0.4
231.02908	0.5
233.04356	0.7
235.02377	0.5
237.03972	1.2
238.06200	0.5
239.07124	0.8
241.05025	0.6
243.03012	0.6
249.03836	0.8
251.07176	1.8
253.04965	0.8
253.08696	0.8
254.05611	0.7
261.03830	0.4
265.04819	0.4
267.06339	1.7
268.07141	0.8
269.04523	1.4
270.04666	0.5
277.05130	0.5
279.06769	0.4
281.04550	2.7
282.05234	3.3
283.06104	10.3
284.03244	0.6
284.06473	1.0
285.04001	4.1
286.04257	0.5
293.04636	1.3
294.05469	0.6
295.02713	0.6
295.06091	9.0
296.06805	2.5
297.04077	6.0
297.07663	17.0
298.04767	3.7
298.08017	1.5
299.05322	0.5
307.05991	2.5
308.03268	0.9
308.06503	0.4
309.03998	4.7
309.07666	2.3
310.04572	1.2
311.05588	12.5
311.09219	0.6
312.05939	1.5
314.04257	0.9
321.03925	0.6
322.04791	1.0
323.05545	9.2
324.06079	1.2
325.03445	0.9
325.07074	7.0
326.07559	0.8
327.05157	2.4
328.05869	2.9
335.05685	2.5
337.03461	3.1
337.07242	2.7
338.03928	0.6
338.07733	0.5
339.05038	3.0
340.05585	0.8
341.06677	3.9
349.07410	0.6
351.05060	6.9
352.05597	0.8
353.06641	31.5
354.06970	3.9
355.08298	1.2
356.05350	1.1
357.05603	0.4
363.04980	0.8
365.06485	2.8
367.04425	2.3
367.08411	0.8
369.06113	18.4
370.06580	2.4
381.06158	4.0
383.07690	11.2
384.08112	1.9
393.06439	0.8
395.07767	1.5
397.05475	0.8
399.07147	8.1
400.07544	1.9
411.07132	7.0
412.07489	0.8
413.08685	4.6
415.64078	0.4
425.08548	0.5
431.09882	1.7
441.08362	0.8
455.09714	4.8
456.10037	0.7
459.09464	0.9
471.09323	2.2
472.10068	0.7
473.10822	20.9
474.11511	3.1
476.09326	0.6
485.10931	1.4
487.08936	3.1
488.09637	1.0
489.10330	26.4
490.10672	4.6
557.12811	2.3
575.14014	100.0
576.14355	16.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.1403
Annotation	Cassiaoccidentalin B
Peak:m/z	Relative Intensity
53.63541	0.9
54.19341	0.9
55.59409	1.0
57.01208	0.8
57.03303	1.2
59.01252	17.3
61.98695	1.3
62.75451	0.9
65.00190	1.0
65.40025	0.8
69.21806	10.4
71.01250	4.8
73.02811	2.1
78.42822	0.9
79.01791	1.1
83.01265	1.5
85.02841	2.8
89.02325	2.6
91.03331	0.9
93.55153	0.8
98.19787	1.9
101.02294	1.7
105.03356	1.6
107.01294	2.8
109.02828	7.5
116.63095	1.1
117.03461	1.0
120.99544	2.9
121.02823	1.4
125.02386	2.3
131.01251	1.6
133.02838	29.7
134.03212	1.3
147.04387	1.8
149.02328	2.7
151.00287	2.9
161.02359	5.5
163.00319	7.0
163.03915	2.7
165.01790	2.5
171.04503	1.0
173.02357	1.7
175.00246	3.0
175.02586	1.4
175.03879	7.0
176.04286	1.2
177.01785	3.2
191.03458	1.9
193.01382	1.7
197.05997	1.6
199.03926	3.5
200.01129	2.3
201.01816	5.3
202.99783	3.5
211.03934	1.8
213.05592	1.3
218.99243	1.5
219.02921	1.4
225.05515	2.4
227.03423	2.4
231.02898	1.0
233.04417	4.8
241.05069	2.6
242.80359	1.0
245.00879	3.9
253.05026	3.0
255.02936	2.5
257.04486	13.2
265.04974	1.5
267.02960	1.9
269.04449	2.1
275.05515	11.2
281.04553	1.7
284.03204	8.5
285.04013	100.0
286.04376	8.2
293.04681	1.6
297.04019	55.0
298.04678	17.2
299.05569	16.5
300.05780	1.1
301.03519	52.9
302.03903	4.0
309.04010	30.0
310.04529	2.7
311.02182	1.5
311.05524	20.4
312.06000	1.6
313.03741	1.8
321.03830	1.5
322.04724	1.3
323.05545	2.1
324.02664	2.3
325.03464	8.8
326.03561	1.4
327.05057	68.5
328.05420	7.0
337.03506	23.7
337.07501	1.4
338.03870	3.0
339.05081	8.3
340.05283	1.0
343.04633	1.0
351.05154	3.8
353.06454	1.1
355.04697	2.1
357.05984	2.7
367.04440	3.3
367.08362	3.5
369.05719	1.9
381.06100	1.2
382.73196	1.0
385.05667	4.1
393.06219	6.3
394.06439	1.3
411.07169	84.8
412.07608	10.6
413.08328	3.4
418.05643	1.0
429.08057	1.4
473.10910	18.5
474.11246	2.4
515.28558	2.2
531.11920	1.8
557.13208	1.3
575.13892	20.6
575.30609	3.1
576.14087	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.1409
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01767	1.4
59.01241	4.7
65.16026	1.1
69.71642	7.6
71.01247	3.9
73.02811	2.5
77.03857	1.8
83.01227	1.1
83.05190	1.3
85.02829	3.8
87.00744	2.2
89.02328	2.2
93.03326	4.0
101.02318	3.1
105.03348	1.3
113.02332	2.1
117.03345	19.2
119.04912	2.7
121.02838	2.7
125.02343	2.2
133.02850	2.9
135.04398	4.0
137.02303	2.1
147.04419	2.5
149.02359	3.4
151.04022	2.0
159.04375	2.2
161.02353	8.2
163.00294	1.9
163.03903	3.4
165.01839	2.4
173.02362	1.9
173.05962	2.2
175.03893	9.9
177.01878	6.7
177.05402	1.5
179.03484	1.7
183.04370	2.0
185.02435	1.8
187.03885	2.6
189.01816	4.3
190.02647	1.6
191.03429	7.4
199.03822	1.6
201.01877	2.8
203.03413	8.5
204.00706	2.4
205.01372	3.1
207.02930	4.8
215.03575	1.6
217.01358	2.2
217.04955	2.9
219.02927	5.4
221.04451	1.8
223.07625	1.5
224.04663	1.6
225.05353	2.3
227.03554	1.3
229.73262	1.2
231.02956	2.9
232.03339	1.5
233.04451	3.6
235.02386	2.1
237.05528	2.7
239.07130	3.2
240.24106	1.2
243.03120	1.6
245.04509	3.1
247.06049	2.0
251.07138	3.3
253.04919	1.9
254.05849	2.6
255.06699	1.5
257.04541	1.2
263.07150	2.6
265.05151	2.5
266.05765	2.1
267.06628	3.4
269.04507	2.5
275.05557	15.2
277.05087	2.1
278.05847	2.6
279.06805	2.6
281.04416	6.7
282.05261	8.4
283.06100	31.3
284.06445	3.2
287.05484	2.0
291.06558	2.3
293.04575	4.9
293.08093	3.2
294.05304	3.6
295.02716	1.7
295.06088	26.5
296.06696	4.9
297.04218	2.6
297.07599	16.5
298.08231	1.5
305.06729	5.6
306.05692	1.3
307.06177	13.8
308.03397	2.0
308.06604	3.2
309.04294	2.5
309.07663	8.3
310.04446	1.6
311.05600	32.5
312.05997	4.1
319.06195	2.2
321.04001	6.0
321.07739	4.5
322.04803	6.1
323.05576	30.6
324.05820	2.5
325.07202	13.1
327.05035	1.7
328.05850	4.7
333.04147	1.6
334.04749	2.4
335.05551	6.0
336.06104	1.8
337.03552	2.6
337.07199	17.9
338.07495	2.6
339.05081	20.8
340.05508	2.9
341.06656	8.6
349.07257	6.4
350.04080	2.2
351.05099	34.8
352.05469	3.1
353.06619	21.2
354.07196	2.3
355.08231	2.2
356.05316	1.6
363.05008	9.6
363.08859	1.8
364.05762	1.6
365.06699	13.9
367.08191	4.2
368.08405	1.5
369.06079	17.2
381.06128	19.0
382.06293	2.6
383.07703	23.6
384.08255	3.6
393.05917	2.7
395.09579	6.5
409.09354	1.5
411.07013	6.5
413.08963	9.8
414.09012	1.8
423.06763	1.7
427.10117	4.7
431.09973	9.6
432.10037	1.7
437.09198	4.6
441.08130	2.9
443.09872	5.8
453.07843	1.6
455.09933	4.0
457.11557	1.9
459.09366	35.6
460.09531	5.5
467.09915	2.1
471.09311	76.0
472.09552	10.0
473.11023	11.1
483.09274	5.7
485.10907	13.8
489.10428	5.4
501.10379	22.1
502.10596	3.8
503.11966	37.2
504.12381	5.6
531.11475	30.1
532.11743	4.0
539.11829	1.6
557.12964	25.4
558.13214	5.5
575.14038	100.0
576.14447	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	575.1402
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53713	1.2
52.69535	1.2
54.24588	1.1
59.01238	4.8
60.44021	1.3
65.00184	2.2
70.50420	2.0
71.01273	1.6
100.54647	1.3
107.01307	1.9
109.02814	5.8
109.66301	1.2
111.30899	1.2
133.02829	21.8
149.02335	2.2
151.00279	3.4
161.02330	4.5
163.00243	4.8
169.99341	1.3
173.02255	2.4
175.00340	2.2
175.03931	6.5
177.01872	2.9
192.90257	1.4
197.41141	1.3
201.01823	4.8
202.99701	2.2
203.03339	1.7
211.03941	2.1
213.05443	1.9
217.04991	2.0
218.99229	4.1
219.02893	2.6
225.05539	1.7
227.03497	1.6
229.04860	1.5
233.04480	6.9
240.04230	1.5
241.05057	2.3
245.00856	4.4
255.02968	1.7
257.04498	15.7
269.04645	2.4
275.05692	12.4
284.03241	3.7
285.04028	100.0
286.04385	10.0
297.04065	39.9
298.04691	14.7
299.05557	5.1
301.03506	49.9
301.06989	2.1
302.03802	4.8
309.03989	11.7
310.04611	1.3
311.02365	1.9
311.05627	10.7
312.05920	1.8
313.03516	3.3
324.02533	1.7
325.03479	5.0
326.03711	1.8
327.05075	23.8
328.05438	3.0
337.03500	14.8
338.03830	2.4
339.05069	8.4
351.05060	1.6
355.04572	2.9
367.04208	1.6
369.06061	3.6
385.05524	2.1
393.05890	1.9
411.07181	35.6
411.11475	1.2
412.07675	4.0
413.08575	4.3
447.08868	1.5
467.93088	1.3
473.10785	6.8
501.10760	1.4
531.11127	2.4
548.13953	1.9
575.13965	15.0
576.14856	1.7
595.92114	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.2189
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01735	0.4
57.03311	1.1
59.01248	100.0
59.85885	0.4
60.01595	0.9
61.98704	1.9
69.41346	0.4
71.00861	0.6
71.01248	9.8
71.50229	0.4
71.50650	0.5
72.99194	0.6
73.02824	2.8
75.00754	0.6
79.62890	0.4
80.96390	0.6
83.01273	1.0
85.02829	2.5
85.86580	0.5
87.00756	1.2
87.04379	1.0
89.02329	2.0
89.05975	1.1
96.95901	1.0
99.00768	1.3
101.02314	4.9
109.02863	1.3
113.02329	2.3
113.06059	0.4
115.00196	0.4
119.03365	0.6
121.02840	3.5
123.04401	0.4
133.02843	6.7
145.06439	0.5
147.04424	0.5
149.02353	0.5
159.02890	0.5
160.03961	0.9
161.02379	0.7
161.04427	2.8
163.00397	0.5
165.05496	0.4
175.04013	0.7
177.01909	1.1
179.05553	0.9
189.05513	4.1
190.05884	0.4
201.01907	1.2
202.99916	0.8
213.05630	1.0
215.03522	0.8
217.01414	1.0
225.05597	0.6
231.06691	0.8
233.10373	0.8
237.05498	0.5
237.07686	1.6
251.11322	5.2
251.13329	0.4
265.05035	0.5
275.05820	0.5
284.03232	0.7
285.04004	3.8
291.08716	2.2
293.12402	14.6
294.12894	1.1
297.04034	2.9
298.04800	0.5
299.05588	0.5
309.04129	2.7
311.05719	1.1
321.03949	0.5
323.05600	2.4
324.02863	1.3
325.03516	1.1
325.07324	2.7
326.07651	0.5
327.05124	0.9
337.03552	6.9
337.07498	0.5
338.04132	1.9
339.05188	1.1
351.05054	5.4
352.05615	0.8
367.08212	9.2
368.08658	0.8
373.26135	0.7
375.27527	3.1
381.11853	2.4
385.05731	0.6
389.30655	0.4
393.06073	2.0
400.46808	0.4
409.05954	1.0
411.07205	27.0
412.07510	3.7
423.13101	1.6
427.06848	0.8
441.14014	14.5
442.14154	1.9
453.08353	0.9
487.09042	1.6
488.09311	0.5
499.08682	0.8
513.27673	0.6
529.26678	0.7
546.13763	0.5
573.12518	6.7
573.30353	2.3
574.13281	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	573.1264
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01241	8.6
69.68221	3.7
69.68635	6.9
71.01236	2.0
77.03778	1.5
81.03331	2.3
83.01245	5.5
85.02815	2.2
93.03333	3.3
94.03789	1.6
96.95919	2.7
97.02821	1.8
100.98895	1.4
107.01220	2.9
108.76767	1.6
109.02835	28.3
110.03162	2.1
119.04915	1.5
121.02825	9.8
122.03634	4.5
123.04440	3.8
125.02325	5.2
133.02844	28.2
134.03600	2.7
135.04399	5.0
136.01501	2.0
137.02310	4.5
139.03883	1.7
145.02829	2.8
146.02542	2.1
146.03647	23.7
147.03922	13.0
148.01518	1.8
148.04123	1.9
149.02345	25.7
150.03148	30.9
151.00261	2.6
151.03502	13.0
152.03609	2.6
161.02310	5.6
161.05940	7.4
162.03070	3.5
162.06329	4.6
163.00282	2.2
163.03857	5.5
164.04697	19.6
165.01823	5.8
165.05473	34.4
166.02612	5.7
166.05878	17.0
167.03366	2.5
167.06049	5.7
173.02296	1.7
173.06003	2.2
175.03877	9.5
177.01863	4.6
179.03436	4.0
179.07040	30.4
180.04196	3.5
180.07370	16.7
181.04964	6.2
181.07587	6.0
187.04016	2.2
187.07553	1.4
188.04536	1.4
189.01854	2.6
189.05397	2.8
191.03363	4.8
195.02788	1.9
195.06590	16.3
196.06839	9.8
197.07146	2.8
199.03949	3.7
201.01802	5.2
201.05351	2.5
202.02554	2.4
203.03362	4.4
203.07082	3.9
204.04187	2.0
205.01398	2.7
205.04977	4.2
206.02072	2.1
207.02780	3.5
211.03966	3.0
213.05415	3.0
215.07074	2.1
217.04883	3.7
219.02882	2.7
219.06552	4.0
224.04695	2.2
225.05492	3.6
227.03490	3.0
229.04906	3.2
231.02846	3.1
231.06578	4.2
233.00896	2.2
233.04469	7.4
235.02377	3.0
241.05028	4.7
243.02843	1.7
245.04536	5.4
246.67343	1.5
247.06003	13.9
253.04889	2.8
255.06500	2.6
257.04462	5.2
259.06036	5.4
261.00311	1.9
261.07739	2.0
269.04572	5.7
270.05185	2.6
271.06055	5.4
273.04041	2.1
273.07684	2.5
275.05606	47.1
276.05862	3.0
277.07166	4.2
281.04669	3.2
281.54990	1.5
283.05981	2.2
284.03201	3.7
285.04004	12.6
285.06998	2.5
286.04657	2.5
287.05582	9.8
289.07166	19.2
290.07571	2.1
297.04156	18.4
297.07364	3.5
298.04773	15.3
299.05560	40.7
300.06003	3.8
301.03741	2.3
301.06989	3.4
305.06589	24.3
309.04239	2.2
311.02271	3.0
311.05634	10.9
312.06244	1.9
313.03662	2.7
313.06931	3.0
313.10416	2.1
314.10870	2.2
315.05020	3.7
317.06616	38.0
318.06958	3.2
319.08173	14.4
323.05594	2.8
325.03549	5.2
327.05051	38.5
327.12021	3.7
328.05487	5.9
328.12863	7.3
329.06622	12.2
329.12897	4.1
330.03561	5.6
330.07043	1.9
331.08398	2.0
337.03360	3.2
338.04208	1.9
339.05106	15.8
341.06757	1.7
343.04547	19.8
343.11823	5.8
344.04996	2.0
344.11966	8.7
345.06363	2.0
345.12524	10.1
347.07700	26.6
348.08221	2.2
351.04913	2.1
351.21719	27.9
353.03104	8.7
353.06717	3.2
355.04343	3.1
357.06152	25.8
358.06448	2.1
359.07715	2.2
367.04663	2.8
369.05988	3.8
373.05609	4.7
377.08673	2.8
379.08591	3.3
381.09912	2.7
383.03903	2.0
385.05420	2.7
395.09900	22.5
396.10327	1.9
397.09509	4.8
407.07434	3.3
409.09265	5.6
419.09790	3.5
425.08740	19.1
426.09091	1.9
427.10455	4.6
433.42966	1.7
437.10907	32.9
438.11111	3.8
439.10181	3.8
447.09351	14.1
448.09570	2.0
453.08246	15.7
454.08359	2.6
455.09827	14.2
456.10083	2.8
463.08759	38.5
464.09216	3.9
473.07358	3.2
483.09274	6.5
487.08749	4.1
505.10016	1.7
524.19470	3.0
525.20068	9.7
527.11951	4.4
529.13416	4.0
545.12970	53.1
546.13556	7.7
555.11499	10.2
573.12445	100.0
574.12805	20.8
598.75751	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	572.1408
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	5.4
61.98697	5.9
66.24010	0.4
69.64922	2.3
69.65329	0.9
71.01242	3.0
72.99152	0.5
73.02813	1.5
75.00726	0.6
83.01227	0.6
85.02814	1.9
87.00727	1.3
89.02296	1.6
93.03323	1.3
95.84253	0.4
96.95891	0.5
101.02330	1.6
107.01215	0.5
109.02824	1.3
113.02308	1.6
117.03344	5.5
119.04869	0.7
119.75906	0.4
125.02271	0.5
128.03447	0.5
130.45296	0.4
133.02826	1.7
133.06516	0.5
135.04411	2.5
137.02190	0.5
145.02841	0.5
149.02322	1.8
158.51118	0.6
159.04436	0.9
161.02344	3.1
161.05899	0.6
163.03931	2.3
173.06010	0.6
175.03877	2.2
177.01834	2.1
177.05421	0.8
179.03307	0.7
179.05525	1.0
185.02350	0.6
187.03835	0.9
189.01805	1.4
189.05452	0.8
191.03386	2.0
193.01338	0.6
197.05977	0.5
199.03935	0.5
201.01805	0.6
203.03429	2.6
205.01428	0.6
205.05099	0.9
207.02946	1.2
215.03481	0.6
219.02823	1.2
231.02895	0.8
237.05476	0.5
239.07164	0.6
251.07135	1.4
253.04951	0.8
267.06668	1.3
268.07153	0.8
269.04474	0.8
275.05453	0.7
279.06723	0.6
281.04471	1.8
282.05389	3.0
283.06079	9.4
284.03436	0.9
284.06540	0.9
285.03970	2.3
293.04553	0.9
293.07813	0.5
294.05350	1.1
295.06064	9.5
296.06790	5.5
297.04031	4.1
297.07623	17.8
298.04889	0.7
298.08035	1.6
307.06168	3.9
308.03223	0.9
308.06421	1.0
309.03989	1.9
309.07672	2.0
311.02237	0.6
311.05563	13.7
312.05957	1.8
314.04343	0.8
317.02881	0.6
321.03775	0.9
321.07520	0.6
322.04694	1.1
323.05542	9.1
324.06104	2.2
325.03555	1.1
325.07071	7.0
327.04953	1.4
328.05719	3.0
335.05469	1.7
337.03397	2.6
337.07239	2.5
339.05054	3.8
341.06497	2.1
349.07147	1.4
350.04102	0.7
351.05048	7.9
352.05585	1.1
353.06635	38.5
354.07086	4.4
355.08179	1.0
356.05353	1.9
363.04993	1.1
365.06595	4.4
366.06903	0.8
367.04407	0.9
367.08337	1.0
369.06137	9.1
370.06390	1.1
375.27374	1.2
379.08398	0.7
381.06110	3.3
383.07712	18.7
384.07916	2.2
393.06265	1.1
395.07458	1.5
397.05194	0.9
399.07147	4.6
400.07416	0.8
401.08624	1.0
407.07538	0.8
409.05515	1.4
411.07166	3.3
413.08716	2.0
414.09515	0.6
425.08759	2.5
431.09705	1.0
437.08838	0.7
441.08377	3.5
442.09079	2.3
443.09836	20.6
444.09973	3.7
446.08505	2.0
453.07983	1.1
455.09933	3.9
457.07483	0.8
459.09296	10.4
460.09506	1.6
471.09485	1.1
473.10611	0.7
485.11090	0.7
487.08841	1.2
499.08716	1.1
509.11282	0.6
527.11951	4.3
528.12250	0.9
545.12976	100.0
546.13306	16.7
554.10321	1.0
572.14069	35.8
573.13855	11.5
573.29614	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.1408
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	0.7
70.89617	0.8
71.01246	0.9
73.02789	0.5
75.83718	0.4
76.25278	0.3
93.03340	0.9
107.01264	0.5
117.03339	4.5
119.04930	0.9
135.04396	1.3
147.04314	0.5
147.53813	0.5
149.02362	0.7
159.04422	0.7
161.02396	2.7
161.03502	0.5
163.03951	1.2
165.01878	0.6
175.03893	2.0
177.01855	1.1
177.05434	1.1
179.03426	0.9
185.02464	0.4
189.01791	1.1
189.05432	0.4
191.03368	1.1
201.01768	0.6
203.03406	1.6
205.01343	0.5
205.05045	0.7
207.02913	2.2
217.04788	0.5
219.02870	0.9
223.07515	0.4
224.08516	0.6
231.02963	0.5
235.07413	0.5
238.06116	0.5
239.07166	0.6
242.45830	0.4
249.03864	0.8
251.07010	0.7
267.06567	1.3
268.07367	0.9
269.04453	0.6
279.06635	0.7
281.04517	1.6
281.14291	0.5
282.05264	2.4
283.06116	7.6
284.06583	0.5
293.04523	0.7
293.08154	0.5
294.05444	0.5
295.06058	7.4
296.06833	5.0
297.07648	14.3
297.11047	0.7
298.08121	1.6
307.06241	2.3
308.03275	0.5
309.04218	0.9
309.07672	2.7
311.05585	9.0
312.05914	0.7
314.04367	0.4
321.07639	0.6
322.04773	1.2
323.05594	6.9
324.06189	1.7
325.07156	5.5
328.05811	3.6
335.05701	2.0
337.07138	3.3
339.05063	1.8
340.05719	0.8
341.06653	3.4
345.98911	0.5
351.05109	4.6
353.06653	30.6
354.07089	3.4
355.08182	1.4
356.05392	1.4
356.21045	0.4
363.05292	0.7
365.06561	5.1
367.04395	0.9
369.06116	10.8
370.06635	1.3
379.08463	1.0
381.06097	3.8
382.06516	0.5
383.07687	25.1
384.08057	2.6
395.07697	1.5
397.05334	0.5
397.09811	0.5
399.07211	9.6
400.07584	1.2
401.08813	1.4
407.07651	1.2
411.07150	1.3
413.08618	1.2
425.08548	2.9
429.07977	1.1
441.08313	3.0
442.08856	1.2
443.03680	1.0
443.09818	19.4
444.10178	2.1
446.08685	0.6
455.09900	3.2
456.10477	0.5
457.07703	1.8
459.09344	10.2
460.09711	1.5
473.10608	0.5
527.11859	2.6
545.12976	100.0
546.13354	16.2
572.14008	7.3
573.14240	1.3
580.67505	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.1409
Annotation	Unknow
Peak:m/z	Relative Intensity
62.57061	0.5
71.01254	0.7
71.49229	0.7
76.96382	0.5
79.01802	0.6
82.52413	0.5
85.02811	0.8
89.02308	0.7
91.05390	0.5
93.03331	1.4
95.01228	0.6
109.09785	0.5
117.03340	6.7
119.04900	1.6
133.02809	0.5
135.04398	2.4
136.01608	0.5
142.30406	0.5
149.02332	1.0
149.05937	0.6
158.03551	0.5
159.04367	1.3
161.02386	3.2
161.05923	0.6
163.03909	1.4
175.03926	3.3
177.01866	1.5
177.05492	1.4
179.03372	1.0
187.03844	0.8
189.01810	1.2
189.05496	1.0
191.03394	2.2
201.01839	0.8
203.03369	2.3
205.01418	1.1
205.05081	0.7
207.02913	0.8
215.03336	0.6
217.04961	0.6
219.02847	0.6
221.04356	0.7
233.04387	0.6
235.02435	0.6
239.07240	0.6
251.07115	1.8
265.05045	0.6
267.06555	1.2
268.07230	1.3
269.04568	0.9
279.06589	0.8
281.04532	1.7
282.05386	3.9
283.06094	9.5
284.06339	0.7
293.04532	0.9
293.08212	0.6
294.05347	0.6
295.06104	10.1
296.06866	12.4
297.04303	0.7
297.07648	20.3
298.07962	2.0
307.06100	3.8
308.06412	0.9
309.04193	0.7
309.07462	4.1
311.05621	9.5
312.05997	1.3
314.04279	0.9
321.04095	0.5
321.07538	0.8
322.04721	1.6
323.05612	9.5
324.02777	0.7
324.06146	2.8
325.07114	8.1
326.07526	0.9
328.05774	3.9
335.05585	2.0
337.07111	5.7
339.05099	3.2
341.06506	3.2
349.07333	0.9
351.05008	4.5
351.08679	0.8
352.05597	1.2
353.06638	39.8
354.06992	6.1
355.08136	1.6
356.05280	2.0
363.04959	0.6
365.06610	7.6
366.07098	0.8
367.08167	1.4
369.06143	7.2
370.06622	1.1
379.08151	1.3
381.06168	3.8
383.07693	40.9
384.07977	4.7
389.06445	0.9
395.07718	2.6
397.09567	0.9
399.07144	4.7
401.08612	1.1
407.07672	1.4
411.07321	1.7
413.08829	2.1
425.08701	5.9
426.09116	1.0
429.08286	1.5
437.08850	0.6
441.08292	3.4
442.09171	2.6
443.09824	52.6
444.10129	9.6
446.08728	0.7
455.09744	5.1
456.10510	0.6
457.07764	0.9
459.09256	7.3
460.09558	1.3
461.97101	0.5
468.43997	0.6
473.10748	1.3
485.10751	1.6
519.82959	0.6
527.11786	6.1
528.12030	0.7
545.12970	100.0
546.13342	20.3
552.69104	0.5
573.13013	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	571.2886
Annotation	Unknow
Peak:m/z	Relative Intensity
62.96239	0.5
69.94610	2.2
72.31887	0.4
78.95774	71.1
96.43321	0.4
96.96841	16.5
150.97882	0.9
152.99489	66.2
153.99850	1.2
171.00557	0.7
223.00095	1.9
241.01152	33.6
242.01477	1.4
255.23264	74.1
256.23630	6.9
315.04889	11.5
391.22552	7.2
392.22964	0.7
409.23273	0.8
571.28876	100.0
572.29205	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	571.2884
Annotation	1-palmitoyl-sn--glycero-3-phospho-D-myo-inositol
Peak:m/z	Relative Intensity
59.58811	0.5
69.32055	3.9
78.95772	61.3
93.69044	0.4
94.13567	0.5
96.96836	14.5
117.05335	0.4
118.49618	0.5
139.68219	0.5
150.97935	0.9
152.99481	61.2
153.99838	0.9
223.00023	2.0
241.01132	33.3
242.01466	1.4
255.23253	74.9
256.23596	7.3
259.02203	0.5
315.04898	10.1
316.05396	0.6
391.22504	6.4
392.22409	0.7
571.28839	100.0
572.29187	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	571.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
53.83462	0.6
71.37761	1.3
93.03345	3.1
95.04914	0.9
105.03377	0.8
108.02055	2.1
121.02816	6.7
122.03632	10.5
123.04402	4.7
133.02834	1.0
134.03613	1.0
135.04454	2.1
136.01534	0.8
145.02863	2.2
146.03636	55.5
147.04230	2.4
149.02345	39.6
149.05962	0.8
150.03128	79.0
151.03555	2.7
161.05983	16.5
162.03067	3.1
162.06326	1.2
163.03902	1.9
164.04700	45.6
165.05478	100.0
166.05833	5.1
175.03905	2.6
177.05475	2.3
179.07053	86.8
180.04213	5.8
180.07446	5.3
195.06555	68.6
196.06895	4.1
225.05591	0.9
238.06113	1.1
241.04752	0.7
255.06528	0.9
267.06631	2.0
269.08133	2.0
270.08844	1.1
285.07739	1.6
298.08524	1.6
312.10056	2.0
313.10852	5.0
327.12375	7.8
328.09464	1.3
328.12946	1.0
343.11850	39.7
344.12265	5.3
391.13962	4.2
523.19739	24.3
524.19897	4.6
541.46118	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.2916
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01239	0.3
61.98700	100.0
69.77706	1.0
80.51727	0.2
98.75813	0.2
99.92420	0.2
116.92749	0.5
117.92730	0.2
130.39531	0.2
145.02899	0.5
152.51602	0.2
157.77834	0.2
174.01622	0.3
220.41905	0.2
295.22888	0.2
302.89569	0.2
396.17062	0.2
507.30066	0.8
508.30441	0.2
515.00946	0.2
571.28479	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.1095
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	24.0
61.66143	1.3
61.98698	12.6
65.32056	1.2
67.62589	1.2
71.01248	10.7
71.50517	2.6
73.02821	4.5
74.02355	2.1
75.00738	3.1
79.95596	1.5
80.96391	2.4
83.01256	3.1
83.04890	1.9
85.02810	4.5
87.00749	2.0
89.02308	4.0
93.03322	2.4
96.95888	10.5
97.27173	1.6
101.02315	5.8
105.03403	1.5
113.02343	3.9
117.03356	8.7
119.04891	2.2
120.32165	1.3
121.02798	2.6
127.00230	2.1
133.02846	2.6
141.06581	3.0
149.02321	5.7
150.03143	1.6
155.10689	4.0
159.04454	2.0
161.02342	5.1
161.04439	1.6
163.03903	2.2
164.04659	6.7
165.05423	3.0
175.02435	2.8
175.03912	4.0
177.01781	3.0
179.05724	1.5
179.06999	8.2
181.04759	1.7
189.01816	1.7
189.05504	1.8
191.03387	1.8
199.03822	2.6
199.09599	3.3
201.01901	2.1
201.05458	2.0
203.03412	4.4
215.03418	3.1
217.01483	1.6
217.05058	2.2
231.02916	1.9
233.04472	2.5
243.03024	2.0
245.04504	2.0
251.07094	3.1
267.06671	2.8
269.04880	1.4
278.05792	1.5
279.06717	2.2
281.04617	2.2
282.05231	2.4
283.06128	7.8
291.06760	1.6
293.04755	2.0
293.08115	1.6
295.06009	13.5
296.06857	6.2
297.07672	8.8
305.04706	1.9
305.08142	1.8
307.06210	12.7
308.03040	1.5
309.07715	3.6
309.13809	1.9
311.05630	6.5
319.06219	3.1
321.04196	2.9
321.07617	17.2
322.04761	4.0
322.08203	3.4
323.05588	13.1
323.09091	2.5
325.07172	5.3
328.05762	3.2
331.05859	1.7
333.07568	3.6
335.05795	7.8
337.03506	2.0
337.07169	5.5
341.06622	3.3
347.05560	2.9
349.07150	49.4
350.07642	5.9
351.05096	15.2
351.08682	2.1
353.06677	17.0
356.05261	1.7
361.07199	3.9
363.05096	4.0
365.06656	4.2
369.05957	6.9
373.26074	3.0
377.06583	12.3
379.08212	23.1
381.06140	6.9
383.07623	16.2
389.06470	1.7
395.07779	8.1
399.07205	5.0
405.06183	2.9
407.07755	9.8
425.08676	4.3
433.05734	5.4
435.07181	2.1
441.08145	2.4
443.09616	14.4
451.06412	2.7
453.08066	2.5
455.10184	1.8
457.07266	1.8
459.09375	6.1
469.11444	18.4
470.11438	3.0
471.09229	19.4
472.09558	2.7
497.11090	6.9
498.11310	1.7
499.08514	1.7
515.12103	2.7
525.10626	6.6
527.11969	3.6
543.11359	7.9
544.12061	2.0
545.12939	51.1
553.09802	55.5
554.10059	10.5
570.21143	2.4
570.31995	2.0
571.10986	100.0
571.21051	7.5
572.11200	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	569.3001
Annotation	LRRK2-IN-1
Peak:m/z	Relative Intensity
59.01234	1.3
60.38179	0.4
63.96112	1.2
69.03325	0.4
70.26115	1.8
71.01257	6.6
73.02815	1.4
78.98466	5.8
79.95605	9.7
80.96392	61.8
81.03344	0.5
85.02802	2.4
87.00745	2.7
94.97964	15.2
96.95900	1.1
97.02825	1.2
101.02309	2.5
106.97955	2.9
107.00867	0.5
113.02369	0.6
122.97475	2.9
124.34249	0.5
125.02332	3.6
127.03876	0.6
129.85771	0.5
134.97478	5.2
136.99013	1.5
146.97458	0.6
148.99051	6.5
152.98538	5.5
164.98538	11.7
174.49908	0.4
206.99695	2.2
225.00705	16.7
269.24844	2.6
288.24936	0.5
299.04495	3.0
353.00644	0.5
428.84589	0.5
429.36075	0.5
569.30011	100.0
570.30328	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	569.203
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07630	0.3
59.01250	0.8
61.98713	0.7
71.49584	0.2
71.50080	0.4
74.92921	0.3
78.95779	0.3
81.81888	0.3
93.03333	0.4
101.02361	0.3
108.02071	0.5
108.95770	0.3
120.02094	0.6
121.02846	0.7
122.03639	1.1
123.04417	0.6
133.02866	0.9
134.03629	3.1
136.01575	0.5
146.03574	0.3
149.02333	3.1
150.03130	7.2
151.03903	0.6
152.99530	0.3
161.02347	0.9
162.03128	89.4
163.03461	4.8
164.04668	0.7
165.05466	5.9
177.05484	100.0
178.05820	5.7
194.66782	0.3
195.06535	2.8
255.06606	0.6
271.06302	0.4
287.09167	0.6
343.11847	0.7
461.16296	0.4
521.18048	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.26
Annotation	Salviadienol A
Peak:m/z	Relative Intensity
51.69568	0.9
55.01749	2.1
57.03320	2.0
58.00467	1.9
59.01250	80.2
60.01601	0.8
69.03340	1.2
69.15539	6.2
71.01252	28.6
72.33448	0.6
72.99180	2.4
73.02821	13.4
75.00756	1.1
83.01266	5.5
83.04935	1.0
85.02818	13.9
85.91963	0.6
87.00757	3.2
89.02314	12.1
95.01273	3.5
96.95890	1.1
97.02824	0.9
98.19870	1.7
99.00768	3.5
101.02322	27.5
108.02060	1.5
109.02831	0.7
113.02323	14.4
113.05941	0.8
119.03398	4.0
123.04411	1.3
125.02370	2.0
131.03291	0.6
134.03688	0.7
136.01582	1.2
137.02269	0.8
141.58301	0.6
143.03358	2.0
146.03641	2.8
146.26108	0.7
149.02312	1.1
150.03137	3.5
151.03868	1.2
159.02936	1.1
161.04436	6.1
162.03111	1.8
163.03958	1.0
164.04686	2.0
165.01834	0.7
165.05484	3.1
177.05524	2.6
178.02594	2.7
179.03426	2.0
179.05515	1.5
179.07066	5.7
181.05067	0.7
193.04970	3.4
194.05356	1.0
195.06566	1.3
209.04396	0.9
257.15311	0.9
266.59283	0.7
273.18427	0.7
275.20218	2.5
285.18716	1.3
303.19644	3.2
304.20212	0.7
315.19724	1.1
319.19254	1.4
321.20822	1.8
347.18570	3.9
365.19614	2.1
373.12997	1.5
389.12402	1.8
430.88327	0.6
447.23883	1.0
465.24765	5.1
479.22934	0.9
481.24457	1.0
509.23892	34.3
510.24155	4.9
521.18176	8.0
522.18292	2.1
527.17090	1.4
527.24957	23.0
528.25134	3.3
539.18628	1.0
541.26312	0.9
543.11597	0.8
551.18848	1.2
569.26086	100.0
570.26447	16.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.1689
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01237	1.9
61.98699	7.0
71.01249	1.2
71.50590	1.5
72.99195	0.9
76.24020	0.7
78.95784	0.9
96.95881	8.2
96.96822	1.0
98.95462	6.1
98.96294	1.1
99.00762	0.9
99.92455	32.1
100.92481	1.6
100.93219	1.1
115.00247	1.4
115.91948	20.7
116.92740	100.0
117.92773	5.1
162.79117	0.8
174.01599	2.4
179.10777	0.9
181.08667	0.9
212.43771	0.8
293.05066	1.1
377.14032	4.0
378.14215	1.1
393.13824	1.1
395.15372	3.2
396.17111	4.6
433.13336	1.4
433.22241	2.1
461.12704	0.9
473.13187	1.0
491.14059	1.5
517.12018	0.9
533.14618	1.1
551.15936	0.9
569.16925	15.9
569.25641	1.2
570.17133	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	569.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
55.51854	0.2
60.14157	0.2
61.98693	0.3
71.51182	0.4
72.12222	0.2
78.95768	0.2
93.03336	0.6
106.04132	0.5
120.02073	0.4
121.02837	0.8
121.79279	0.2
122.03650	1.1
124.01532	0.3
133.02823	0.7
134.03616	3.2
136.01598	0.3
149.02333	3.1
150.03130	9.2
151.03734	0.8
161.02341	1.5
162.03128	94.7
163.03465	4.4
164.04634	0.8
165.05486	7.3
166.05844	0.3
177.05482	100.0
178.04346	0.4
178.05836	5.1
179.07027	0.3
179.48389	0.3
180.04213	0.4
192.04037	0.3
195.06564	3.1
207.06491	0.5
211.64424	0.2
226.06310	0.3
237.05318	0.2
239.03342	0.3
255.06549	0.5
256.07330	0.3
270.08881	0.5
271.06143	0.4
287.09274	0.6
318.43350	0.2
343.11774	1.0
379.28424	0.2
391.13736	0.3
443.11441	0.3
461.15784	0.4
473.15833	0.6
503.16687	0.3
521.18121	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.2759
Annotation	Unknow
Peak:m/z	Relative Intensity
55.65620	0.6
59.01234	0.9
61.98698	100.0
71.49963	0.9
78.95787	0.8
80.96400	1.0
120.99403	0.7
145.02875	0.9
151.33479	0.6
201.11148	0.5
220.83635	0.6
268.67340	0.6
470.77774	0.6
505.28122	1.2
512.10742	0.6
569.26813	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	568.3621
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	22.6
59.32674	0.3
61.98694	1.4
62.50302	0.3
69.18940	4.1
71.01242	0.7
72.50298	0.3
75.00744	0.7
78.95772	20.9
79.95627	0.6
80.96391	4.9
82.95966	0.5
98.19762	0.8
106.94740	0.4
110.64088	0.4
118.73060	0.4
134.97417	0.4
140.86536	0.4
152.98550	0.4
152.99498	3.3
164.98595	0.8
168.04239	2.5
224.06900	8.0
225.00699	0.9
242.07849	2.1
255.23260	0.9
269.24850	100.0
270.25220	9.8
483.27637	0.4
485.85461	0.4
494.32523	60.8
495.32855	9.3
568.28815	5.3
569.29242	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.0871
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	32.2
61.98700	9.2
65.00194	3.8
66.47436	1.8
71.01246	12.8
71.04903	2.1
72.99174	2.0
73.02816	7.0
73.69880	1.4
74.02340	5.8
75.00717	2.1
76.18965	1.5
77.91562	1.4
78.95761	7.4
83.01253	4.8
85.02829	5.1
87.00755	3.1
89.00206	2.0
89.02309	6.1
95.01250	2.5
96.95885	1.9
97.02772	1.9
98.00584	4.7
99.00734	1.6
99.05491	1.4
100.00286	6.0
101.02325	8.4
105.03355	2.8
107.01270	2.8
109.02839	6.5
109.06477	1.7
110.00578	2.9
111.05513	8.5
111.42900	1.6
113.02348	4.2
114.00110	2.0
119.03387	4.5
120.99485	2.8
121.02865	2.3
122.06008	3.1
123.98548	1.9
125.02348	2.0
133.02840	48.5
133.03842	3.1
135.04375	1.7
137.03439	4.5
139.07462	1.8
141.00175	2.4
141.01176	7.2
143.04643	1.6
149.02359	5.0
149.03468	3.5
151.00288	7.3
151.03938	2.4
152.05823	7.7
152.99492	5.6
155.02684	1.8
155.04503	3.9
161.02383	2.9
161.04413	2.4
163.03894	1.9
165.05522	1.6
167.08191	24.7
171.00426	1.8
171.04486	1.9
171.10072	1.7
173.05988	2.2
174.01660	2.1
175.00327	3.6
175.02563	2.1
175.03902	9.5
176.98143	2.7
177.01843	5.7
179.05592	3.0
179.08144	2.7
179.98787	3.9
180.99585	17.2
182.02739	1.8
191.03470	3.7
192.99782	2.0
193.01306	10.1
195.04584	1.8
197.03882	4.0
199.03905	8.5
201.01871	10.4
204.99573	4.3
205.06161	2.6
206.97545	4.7
207.10188	2.3
211.01913	1.5
211.04034	2.5
211.07184	54.5
212.07507	3.4
213.08784	3.1
217.05121	2.0
221.40752	1.6
221.99797	2.8
223.00465	2.1
241.02864	8.3
241.05080	3.6
241.37019	1.6
243.02928	3.5
248.98436	2.1
253.04817	2.3
255.03015	1.8
257.05780	1.9
267.03024	3.5
269.04678	2.2
271.03851	2.1
279.16156	4.6
282.04062	2.8
284.03201	8.4
285.04022	95.2
286.04352	9.5
290.04037	1.8
291.04324	2.8
297.04022	26.6
298.04300	3.7
299.06592	7.0
305.17477	2.2
309.03989	3.2
311.01993	35.4
311.05447	2.4
312.02158	4.3
313.03348	4.0
314.03766	2.1
317.02032	4.6
322.04834	2.2
324.02579	9.4
325.04156	2.9
327.05072	100.0
328.01633	1.7
328.05310	12.4
329.01187	6.5
329.06015	4.8
341.01395	3.0
354.99191	36.8
355.99475	2.7
357.00702	37.7
358.01254	6.4
359.03305	4.8
365.06909	1.7
371.07175	2.2
371.24454	2.4
395.07773	1.9
397.04822	5.7
405.25070	1.6
406.25494	2.3
415.05899	2.7
434.08936	7.9
450.06497	5.3
451.06430	2.3
461.06430	7.4
468.07495	3.7
473.09668	5.4
476.04404	3.1
479.07208	4.9
489.07556	5.1
494.05240	4.4
507.08554	4.8
513.06384	2.2
533.06659	7.5
535.10211	3.5
551.07806	3.7
551.22711	3.6
569.08917	4.8
569.23212	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	567.2082
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57845	1.8
53.27668	1.6
57.03316	5.4
58.00459	3.1
59.01252	55.6
61.21693	2.0
61.98683	2.4
62.35377	1.7
65.10125	1.7
67.75940	1.6
71.01253	52.2
71.50364	1.9
72.99173	4.9
73.02831	9.7
73.55701	1.7
75.00755	2.3
77.24995	1.7
80.29039	1.7
83.01251	5.4
85.02810	15.0
87.00736	5.8
87.04399	2.5
89.02323	48.5
93.03329	5.8
95.01270	4.6
97.02864	2.2
99.00758	3.9
101.02325	30.1
108.02084	2.3
113.02335	19.9
119.01354	1.6
119.03392	13.2
121.02830	6.8
122.03644	12.8
125.09572	3.1
133.02852	2.3
137.02396	2.5
139.00392	2.0
139.07570	2.1
143.03413	4.5
149.02356	41.8
150.03136	100.0
151.03793	4.1
161.04468	12.0
163.04007	3.0
164.04669	10.9
165.01732	2.1
165.05487	86.8
166.05792	5.2
171.10204	7.1
177.01958	2.2
179.03455	2.4
179.05507	15.1
180.04179	7.5
185.11841	1.7
195.06558	69.1
195.08337	4.0
196.06915	2.0
201.11261	21.7
209.04439	2.3
209.08142	8.4
225.11177	1.7
243.15981	4.7
261.72705	2.0
287.10275	2.0
291.33981	1.8
329.11179	3.7
331.09122	1.9
337.79901	1.8
342.11102	3.0
345.22711	6.3
357.13422	64.3
357.68179	2.0
358.13736	8.1
359.35629	1.7
387.23941	12.4
395.19089	9.8
405.15491	5.2
405.24875	17.7
463.17075	1.9
477.11823	2.6
519.19073	2.4
523.27777	10.6
523.34332	1.8
549.29150	12.3
567.13373	10.7
567.21307	8.2
567.30066	59.3
568.22198	3.2
568.30438	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	568.276
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98699	100.0
69.45684	2.4
73.74830	0.3
101.38761	0.4
113.58202	0.4
129.66696	0.3
145.02824	0.5
179.58263	0.3
208.57259	0.3
249.65378	0.3
291.59064	0.3
505.28293	0.9
517.01154	0.3
550.34113	0.4
569.12878	0.4
569.26379	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.1718
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01009	1.0
59.01252	8.6
59.07658	0.9
68.99686	1.8
70.87464	1.1
71.01246	3.8
72.86440	1.3
73.02812	4.4
75.00747	3.6
81.03328	8.8
83.00836	1.2
83.01238	6.8
85.02807	2.5
88.98669	1.7
89.02315	1.9
93.03342	6.7
95.01253	3.0
95.04903	3.7
97.02834	5.8
99.00755	1.4
99.04375	2.7
101.02322	1.9
107.04920	3.0
109.02837	3.8
111.04393	4.0
113.02311	2.6
117.03284	1.0
119.04922	8.2
121.02829	4.0
123.04419	16.3
124.40562	1.0
125.02360	13.0
135.04387	5.8
137.02330	8.0
137.05981	6.6
139.03912	11.1
145.06584	1.7
147.04449	2.7
149.02333	2.3
149.05928	1.8
151.03912	4.6
153.05464	2.5
161.05975	1.5
163.03918	6.0
163.07610	1.8
165.01848	2.4
165.05476	9.9
166.02609	2.2
167.03403	38.1
168.03693	2.7
177.01901	1.4
177.05466	4.3
179.03398	12.1
179.06960	1.8
181.04936	3.1
189.05521	10.5
191.03401	3.0
193.05042	6.1
195.06450	1.9
197.04474	8.6
205.05019	1.8
207.06479	1.9
209.04494	27.8
210.04910	2.3
219.02940	1.9
219.06412	1.1
221.04419	6.8
223.06053	2.8
231.06648	1.7
233.04466	1.9
235.06004	1.3
239.05577	17.3
251.05658	5.1
263.05573	3.1
269.06665	3.9
273.07639	6.4
281.06699	2.5
285.07660	2.3
299.09216	1.5
303.08588	1.3
315.08759	23.7
316.09067	3.5
327.08679	10.3
328.09027	1.2
341.10080	1.4
345.09769	9.3
346.10681	1.3
354.07413	1.6
357.09787	95.3
358.10187	11.0
369.09772	5.2
387.10861	100.0
388.11282	12.3
399.10803	4.2
411.10403	1.8
417.11954	36.4
418.12009	2.9
429.11981	11.4
430.12442	2.2
430.29132	1.1
441.11899	2.1
447.13000	18.4
448.13153	2.4
459.13074	8.6
470.37595	1.3
477.13956	13.3
478.13974	2.9
485.87369	1.2
489.14056	3.3
507.14856	1.7
517.41254	1.1
523.28198	1.4
549.16052	2.7
567.17059	16.2
567.30341	8.9
568.17004	3.3
568.30145	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.1538
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07361	0.4
59.01258	0.9
61.98703	4.4
68.99687	0.5
71.01256	1.8
72.99169	1.2
78.95786	0.6
79.95602	0.5
87.00755	0.7
96.95888	11.0
96.96512	0.6
98.95467	7.0
98.96234	1.1
99.00752	1.5
99.92458	50.5
100.92471	2.7
100.93221	1.2
103.91119	0.5
115.00239	1.1
115.90730	0.7
115.91961	24.0
116.92741	100.0
117.92764	5.0
117.93538	0.5
124.98677	0.7
129.52304	0.4
132.32526	0.4
140.98186	1.5
141.93539	4.0
142.87366	0.5
142.94275	0.5
142.99765	0.7
152.99539	1.0
174.01581	1.0
175.02377	1.9
200.94939	0.6
211.13335	0.6
229.59665	0.5
240.94453	2.7
255.93105	3.4
256.93393	0.6
273.94205	0.6
306.05603	1.3
307.06354	0.6
308.07208	0.4
334.08701	0.5
371.09671	0.7
373.11026	0.9
374.11749	0.6
375.12698	5.8
376.12836	0.8
389.10660	1.9
391.12076	2.5
392.12683	0.5
393.13715	3.5
394.15359	2.2
400.05933	0.5
431.11716	1.7
443.11395	0.5
445.13455	0.7
447.10959	0.7
455.11304	1.1
461.13263	0.6
471.11151	1.1
489.12360	1.8
499.10800	0.5
501.12225	0.8
515.10156	0.7
523.55969	0.5
531.13037	2.8
532.13599	0.6
567.15320	5.3
568.15247	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.3588
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	14.0
60.01572	0.6
69.00118	0.4
69.49348	3.3
71.01248	2.5
73.02824	0.7
74.54675	0.4
75.21709	0.4
81.33833	0.5
85.02779	0.9
88.80775	0.4
89.02303	2.4
98.19868	1.0
101.02320	3.5
113.02338	1.8
119.03416	0.6
161.04424	1.3
230.45470	0.5
235.08206	1.6
253.09258	13.9
254.09608	0.9
269.24841	100.0
270.25192	8.3
385.71881	0.5
398.58884	0.5
448.00797	0.5
497.26398	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.2493
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01753	1.0
57.03312	1.2
58.00463	0.8
59.01247	52.0
60.01586	0.8
69.03320	1.6
69.37156	3.6
71.01248	22.3
71.04877	0.8
72.99173	1.2
73.02813	7.9
75.00732	1.2
81.03333	0.7
83.01263	3.7
85.02818	8.6
87.00745	23.5
88.01087	0.5
89.02314	6.2
95.01254	1.3
97.02831	1.9
98.20537	0.8
99.00753	5.8
101.02319	10.1
113.02327	5.1
117.01819	4.5
119.03381	1.5
125.02333	3.8
129.01828	0.6
131.03339	0.4
136.56128	0.5
138.96002	0.4
141.01845	2.2
143.03381	1.0
153.12749	0.5
159.02907	1.7
161.04454	32.2
162.04802	0.7
177.03979	1.1
179.05522	100.0
180.05890	3.4
181.12241	4.6
199.13335	6.3
221.06599	4.9
225.41231	0.4
343.17581	11.6
343.20956	0.7
344.17984	0.9
361.18655	27.7
362.19046	2.7
403.19641	39.4
404.20010	5.4
547.13489	0.9
565.14966	0.6
565.27972	2.7
566.29132	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.2288
Annotation	Excavatolide C
Peak:m/z	Relative Intensity
51.77947	0.5
55.01740	1.0
57.03313	1.1
57.44283	0.4
58.00466	0.9
59.01247	29.5
60.01590	0.6
69.03339	1.2
70.42393	0.8
70.42777	0.7
71.01249	19.9
72.99166	1.9
73.02809	5.1
75.00706	0.5
78.95757	0.4
81.03326	0.6
83.01246	3.8
84.76494	0.5
85.02816	11.4
87.00745	2.5
89.02303	4.6
93.03321	1.1
95.01235	2.9
96.95886	0.9
97.02816	1.4
99.00764	2.3
101.02325	8.9
108.02062	0.9
109.02834	3.8
113.02327	9.2
114.02631	0.5
116.92747	0.9
119.03374	1.1
119.04921	0.5
121.02831	12.5
122.03643	9.9
123.04453	2.6
124.01541	1.7
125.02318	1.5
134.03662	0.7
135.04396	2.7
136.05165	1.5
137.02327	3.6
143.03360	0.8
146.03656	0.6
147.04420	5.9
148.05095	1.0
149.05972	1.1
150.03094	1.5
151.03743	0.6
154.02602	2.2
160.05156	0.9
161.02386	0.5
161.04558	1.0
161.05972	5.0
162.06728	1.6
163.03874	1.5
164.04675	0.7
165.05476	20.8
166.05873	0.9
168.04251	0.5
173.06013	1.1
174.06801	0.6
175.07532	1.6
177.05547	0.8
178.06226	0.5
179.07016	6.8
189.09183	0.5
190.06276	0.6
191.07074	2.8
192.04103	0.8
192.07718	0.7
193.05112	0.6
193.08618	0.8
207.02921	0.7
207.06728	0.5
223.06026	0.9
223.09792	1.0
297.11319	0.6
298.12155	2.2
299.12753	0.6
311.12814	0.6
313.10861	0.8
313.14444	7.0
315.12402	1.9
316.13037	1.0
325.10767	0.6
325.14264	0.5
328.13162	4.3
329.13733	1.6
331.15283	0.7
343.11447	1.0
343.15424	11.4
344.15753	1.6
346.14218	6.8
347.14755	2.4
349.20410	0.9
361.16531	57.0
362.16949	6.4
403.13721	0.9
417.19183	0.7
475.19641	1.4
505.20767	100.0
506.21051	16.6
508.97598	0.5
523.21796	47.8
524.22205	7.8
529.26428	1.0
555.18982	0.5
565.22852	2.7
566.23340	0.6
578.49286	0.6
591.59198	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.23
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82907	0.2
59.01252	1.4
63.51070	0.2
67.54410	0.2
69.17304	2.3
72.75775	0.2
85.02859	0.3
93.03344	1.5
94.03720	0.2
97.26307	0.2
98.20599	0.5
108.02077	0.4
109.02834	5.6
110.03139	0.2
111.04454	0.4
116.92730	0.4
119.04913	0.3
121.02833	13.0
122.03638	11.1
123.00806	0.4
123.04435	2.1
124.01550	1.6
129.03386	0.6
133.02870	0.8
134.03642	4.1
135.04434	2.6
136.01645	0.3
136.05261	1.2
137.02342	3.7
139.03931	0.2
146.03654	0.7
147.04410	5.8
148.05171	0.7
149.02463	0.4
149.04822	0.3
149.05962	2.1
150.03142	0.7
151.03839	0.3
153.01859	0.4
154.02603	2.4
160.05200	0.4
161.05968	2.2
162.06693	0.4
163.03877	1.4
164.01056	0.3
164.04732	0.7
165.05473	25.5
166.05824	0.9
168.04221	0.4
173.05998	0.5
175.07637	0.5
177.05525	0.3
178.02632	2.9
178.06290	0.6
179.03209	0.2
179.05579	0.5
179.07031	8.6
180.07431	0.6
190.06308	0.3
191.07089	0.8
193.04990	9.4
193.08629	0.3
194.05354	0.6
201.01784	0.3
207.02893	1.1
209.04480	0.5
209.08176	0.9
219.02728	0.2
223.09737	1.1
298.04697	0.6
298.12109	0.7
299.05078	0.6
300.05545	0.8
301.10751	0.5
311.05478	0.3
312.06149	0.9
313.06726	1.3
313.14490	1.2
314.07104	1.0
315.07687	0.5
315.12363	2.8
316.13113	0.9
317.14139	0.3
329.05795	0.3
329.13882	0.3
331.15198	0.6
339.04941	0.6
340.05496	0.7
341.05798	1.2
342.06747	0.4
343.07394	0.4
345.13324	0.3
346.09949	0.4
346.14191	8.5
347.14600	1.1
355.07297	0.2
361.16528	100.0
362.16870	9.9
369.06216	1.4
370.06491	1.5
371.06702	3.1
382.06360	0.4
383.06836	0.5
399.06873	1.2
400.07587	1.2
401.07764	3.6
403.13931	0.7
413.07855	0.5
430.08344	0.4
431.08768	0.6
443.09048	0.7
459.09451	0.5
460.09500	0.7
461.09937	3.8
462.10187	0.3
473.10367	0.3
475.11429	1.1
491.10852	0.6
505.13312	0.5
505.20392	0.4
547.13550	0.6
565.14496	11.8
566.15015	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1949
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60389	0.5
58.91297	0.4
59.01257	0.4
61.98700	1.2
64.82196	0.5
71.50309	0.6
74.40921	0.5
78.95786	2.2
79.95610	2.6
96.95889	100.0
97.93014	0.6
114.93305	3.4
125.23759	0.5
135.02885	1.4
152.59785	0.4
152.99538	0.4
167.05779	0.5
174.01712	0.6
204.11703	0.5
293.21213	0.8
331.19095	1.3
332.63708	0.5
345.20706	0.5
349.20380	0.7
371.18579	0.5
391.17871	1.0
445.15445	1.5
484.69592	0.5
565.27777	0.9
566.14868	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.3023
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	0.4
59.01248	8.6
61.98704	100.0
69.34811	1.7
69.35219	0.6
71.01260	2.3
72.99178	0.5
73.02828	1.1
75.00734	0.3
78.95770	0.4
83.01266	0.7
85.02838	1.2
87.00747	0.5
89.02316	0.8
90.10904	0.3
96.95880	0.3
97.02797	0.3
98.20287	1.0
101.02312	1.4
113.02335	1.2
119.03409	0.8
125.02301	0.3
128.03456	0.3
129.01874	0.3
143.04524	0.5
161.04491	0.4
169.06900	0.5
213.26851	0.3
249.56517	0.3
274.22202	0.3
354.07074	0.4
359.28189	0.5
360.28558	0.8
461.31213	1.9
479.32281	1.2
504.32727	0.9
521.33630	0.4
522.33905	1.1
563.34583	0.8
564.14240	1.9
564.35034	4.1
565.35620	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.0475
Annotation	Unknow
Peak:m/z	Relative Intensity
71.15850	2.1
71.26980	1.0
78.95774	100.0
96.96841	32.1
107.03751	1.1
108.54482	0.9
111.01890	7.9
119.14754	0.9
120.96722	1.1
138.97913	2.3
150.97865	2.5
158.92438	12.4
159.32466	0.9
166.33168	0.9
176.93568	1.3
211.00089	3.4
225.83739	1.2
241.01169	3.8
272.95712	3.6
280.01959	1.0
323.02829	23.3
384.98196	1.7
565.04742	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	565.1568
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	3.3
58.00494	1.5
59.01252	10.4
61.98690	2.4
69.03318	2.7
69.59106	4.0
69.59521	6.2
71.01260	9.6
73.02823	6.4
81.03330	14.3
83.01256	14.5
85.02818	5.1
89.02316	2.4
93.03333	2.9
95.01259	6.4
95.04904	8.9
96.63480	1.5
97.02840	10.9
98.19817	3.2
99.00747	2.4
99.04376	7.3
101.02312	3.7
107.04886	3.8
108.02000	1.7
109.02835	6.1
110.25898	1.4
110.48467	1.5
111.00835	1.8
111.04411	4.1
113.02325	7.7
119.04910	2.8
121.02820	6.1
121.44176	1.6
123.04400	31.7
125.02330	52.0
125.06003	1.9
133.02850	3.9
135.04411	7.4
137.02345	16.8
137.05956	4.2
138.03058	2.1
139.03899	6.5
141.70100	1.3
147.04382	2.5
149.02361	4.3
149.05960	3.2
151.02843	1.7
151.03929	11.4
153.05482	3.4
154.49431	1.6
155.03358	3.0
155.10574	1.6
161.02347	2.4
161.06039	1.6
163.00395	1.7
163.03888	3.7
164.01080	1.6
165.01874	3.3
165.05470	5.4
166.02635	3.0
167.03397	58.5
168.03731	2.8
168.09303	1.8
175.02388	3.0
175.03857	2.8
177.01775	3.6
177.05482	3.2
179.03423	17.9
179.05589	1.9
181.04926	4.4
191.03433	4.7
193.04915	4.6
197.04457	18.8
200.98657	1.6
201.11377	2.1
205.01620	1.5
209.04482	98.6
210.04803	3.0
221.04469	6.4
233.04584	2.0
235.02544	2.2
239.05562	100.0
240.05936	6.6
251.05614	4.3
263.05603	2.3
269.06641	44.1
270.06943	3.3
281.06616	8.3
283.10806	2.5
295.05817	1.6
298.04865	2.3
299.07843	18.2
309.08417	1.6
311.07715	6.0
312.06113	3.2
313.06882	3.3
314.07227	1.9
314.98499	1.6
327.05008	2.4
327.08945	2.0
328.05600	2.3
329.08734	17.8
339.04974	3.1
340.05487	2.5
341.05646	2.5
341.09161	2.9
343.07321	2.3
353.06342	2.9
355.08157	24.5
356.08456	3.8
367.08218	2.0
369.06091	12.5
370.06412	4.6
371.07111	6.2
374.90039	1.6
385.09277	23.9
386.09515	2.7
399.07159	9.6
400.07608	5.1
401.07974	6.9
403.11621	6.4
415.10205	6.8
419.11844	12.2
427.10281	2.7
429.08456	3.5
431.08936	3.2
443.09155	1.9
445.11429	12.2
457.11209	6.6
459.09329	14.7
460.09879	2.8
461.09833	4.9
475.11987	12.9
489.10403	6.8
505.12476	2.9
515.08057	2.6
521.25861	6.2
547.14258	3.8
565.14996	47.8
565.28558	6.0
566.15485	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	563.3584
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29639	1.1
53.03704	1.0
59.01250	1.5
69.86385	5.0
76.34766	0.9
77.47431	1.1
78.95782	1.2
92.66280	1.2
112.94226	0.9
117.03355	2.0
121.02823	1.3
132.02045	1.3
133.02846	28.5
134.03670	5.9
135.04413	17.9
137.02332	3.8
145.56606	1.0
146.89899	1.1
161.02344	100.0
162.02686	3.8
178.02660	1.3
179.03383	4.5
209.44861	1.0
327.28955	9.0
328.29480	1.5
403.32111	7.6
404.32709	1.9
471.24423	1.7
471.31131	34.5
472.31534	5.6
489.32129	13.2
490.32825	2.0
563.35864	76.6
564.36115	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	564.2812
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	7.4
61.98695	7.4
67.01756	8.2
68.99672	11.9
71.01274	6.9
71.49686	7.9
72.99198	3.9
80.96419	5.6
85.02793	4.0
93.03343	8.0
95.01263	6.3
96.95904	4.8
109.06441	8.2
109.99963	8.4
111.00743	13.6
111.04377	4.8
113.02343	7.8
113.99464	16.9
114.05499	65.9
115.00230	25.2
136.98743	5.7
137.02277	10.0
137.99501	8.0
139.00266	46.7
159.32332	4.1
165.01848	41.8
165.12773	5.2
171.11572	5.0
175.02333	4.5
177.01732	6.1
201.79933	4.7
205.01331	16.1
211.13478	4.3
235.13364	7.7
253.14391	11.7
263.12997	26.1
279.12338	15.6
281.13861	14.7
291.19641	6.6
307.11850	27.9
308.12354	7.2
321.13220	5.6
344.26013	6.5
353.06415	4.4
362.13705	14.4
373.07782	4.4
387.21985	6.6
389.22906	5.4
422.27179	6.4
431.20712	37.9
440.27979	27.1
458.29160	84.1
459.29291	13.5
460.10461	5.1
460.27222	7.6
484.26996	62.6
485.27274	12.6
502.27930	21.8
503.28458	6.5
504.26016	6.3
528.25885	37.3
529.26654	6.3
546.27057	100.0
547.27313	17.8
564.14526	21.0
564.28326	27.1
565.28278	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	563.3073
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75499	0.6
53.93854	0.6
55.01739	1.6
57.03309	2.1
58.00471	0.9
58.48308	0.6
59.01247	37.8
61.11323	0.6
61.98696	7.1
62.98232	0.8
68.96547	0.7
69.03306	1.4
69.61688	3.7
71.01251	19.3
72.99192	1.8
73.02813	6.6
81.03334	0.8
83.01260	2.3
83.04892	1.0
85.02815	12.0
87.00739	3.1
89.02316	15.3
95.01261	1.4
95.04892	1.2
96.95890	1.2
97.02807	1.1
97.06460	2.8
98.19874	1.4
99.00764	1.5
99.04404	1.1
101.02323	14.1
109.06458	0.7
110.46162	0.7
111.00778	0.9
111.04348	0.8
113.02326	10.1
119.03401	4.2
125.02308	2.4
125.09583	1.7
127.11133	1.2
133.02798	1.2
137.09604	2.1
143.03426	1.7
149.09529	0.8
155.10680	1.7
161.04471	6.1
165.12659	0.9
167.03384	2.4
167.14285	1.0
171.10176	20.2
175.02419	0.9
175.03880	0.8
177.12671	0.9
179.05534	3.0
183.13858	3.6
185.11703	1.7
191.05629	0.8
193.12286	0.8
199.13126	0.8
209.11778	1.1
211.13335	17.7
212.13654	1.2
221.11763	2.8
225.24968	0.8
229.14354	12.0
230.14752	1.7
239.12787	1.3
253.09250	52.8
254.09624	2.1
265.10794	1.5
290.74365	0.8
291.19711	2.5
295.06006	1.3
297.07230	1.6
309.20712	1.7
311.05753	1.3
315.04022	0.8
325.07104	0.8
327.21741	100.0
328.22018	10.0
335.68408	0.9
339.04892	1.1
353.06738	4.2
359.28055	1.4
369.06226	1.2
383.07761	2.7
397.23370	0.7
399.07220	1.7
413.08398	0.9
473.11090	1.0
503.32230	10.4
504.32782	1.7
521.33099	2.6
563.14063	9.9
563.30621	10.1
564.14526	1.7
564.30798	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32468	0.5
54.99072	0.4
59.01255	3.1
62.49778	0.4
69.76896	2.4
70.30311	0.5
71.01244	1.1
73.32366	0.4
75.55493	0.4
77.89320	0.5
85.02821	0.8
89.02322	0.8
101.02342	0.6
109.02855	0.8
121.02849	4.5
122.03605	1.6
123.00760	1.3
123.04380	0.8
124.01517	0.8
131.04910	0.5
133.02838	1.0
134.03191	0.5
135.04477	0.9
136.05238	0.8
137.02356	1.4
137.05896	0.6
144.36140	0.4
145.02792	0.5
145.06650	0.5
146.03641	1.0
147.04393	3.4
149.02350	2.2
150.03128	7.6
151.03856	1.2
153.05487	0.6
158.03680	3.0
159.04413	9.5
160.05205	28.7
161.05984	9.0
162.06374	0.6
163.03905	6.3
164.04706	6.2
168.04184	0.7
173.06056	3.9
175.07562	25.7
176.04648	1.3
176.07904	2.1
177.05502	5.6
178.06274	5.6
179.07060	2.4
191.07008	0.6
192.07890	1.0
193.08586	2.8
224.98198	0.5
269.04532	0.5
297.11227	0.5
299.05270	1.0
300.06003	0.6
301.06168	0.5
312.06046	0.7
313.06650	0.5
314.07135	0.9
314.11511	0.7
315.07458	0.6
315.12363	0.9
329.13934	100.0
330.14282	11.8
339.05197	1.0
340.05310	0.5
341.05603	0.6
358.06027	0.5
359.15027	1.8
361.95892	0.5
369.05823	1.0
370.06598	0.6
371.06641	1.8
387.05807	0.8
399.07123	1.5
401.08005	1.3
417.07574	0.8
419.08905	1.0
443.09473	0.7
459.08600	2.5
460.09479	0.5
461.09851	1.9
475.08850	0.7
476.09302	1.5
477.09332	5.9
478.09506	0.7
527.11676	0.6
545.12427	2.2
563.13184	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	563.2342
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01750	5.4
55.28907	2.9
57.00076	3.2
59.01251	100.0
59.87962	3.3
61.98696	3.1
63.16521	3.0
69.22348	10.5
69.22768	22.6
71.01250	65.9
73.02831	25.4
77.72023	2.7
83.01254	21.4
85.02834	28.6
87.00758	11.6
89.02321	11.9
92.37569	3.0
95.01276	9.1
97.02814	5.9
99.00771	9.4
101.02322	51.6
113.02332	27.7
119.03379	5.0
125.02339	10.8
127.43732	3.2
143.03381	9.7
159.02994	3.7
161.04448	27.6
228.24417	3.2
248.16504	3.3
285.66263	3.5
315.18097	23.8
316.18158	3.5
328.68591	3.3
357.19131	4.0
459.22470	13.5
477.23404	87.5
478.23465	11.6
519.24506	31.9
520.25006	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	563.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
54.63260	0.5
54.66014	0.5
58.00461	0.9
59.01247	65.2
60.01578	0.9
69.03346	1.5
69.20712	5.8
71.01252	26.9
72.01599	0.7
73.02816	27.6
74.03127	0.6
83.01250	6.7
85.02821	5.6
87.00726	1.2
89.02309	6.6
95.01281	0.9
97.02811	0.8
99.00768	1.3
101.02319	28.9
102.02604	0.5
113.02328	14.3
114.02635	0.7
119.03387	4.2
121.02853	1.2
123.04446	0.6
125.02415	0.7
131.03366	2.4
143.03407	4.2
146.03732	0.7
149.04462	4.6
149.25217	0.5
155.03419	0.7
161.04475	12.3
163.03728	0.6
164.04689	4.5
178.36812	0.5
179.07050	100.0
180.07402	5.8
180.08829	0.8
188.63800	0.6
203.05554	1.5
221.04752	0.6
221.06604	3.7
341.13712	0.8
359.14969	11.7
360.15234	1.0
503.19241	8.4
504.19324	1.9
521.20203	6.8
522.20636	1.4
563.21228	5.2
564.21350	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80055	0.6
55.81381	0.8
56.75239	0.7
59.01240	2.2
59.93397	0.7
65.03236	0.7
70.65308	1.8
89.02370	0.7
95.94878	0.7
109.02900	1.1
121.02826	3.9
122.03621	1.5
123.00746	1.4
123.04451	0.8
124.01634	0.9
133.02849	2.7
136.05276	0.8
137.02296	1.2
138.96579	0.7
145.02821	1.4
146.03687	0.8
147.04402	3.6
149.02303	1.3
149.05939	0.9
150.03117	6.3
158.03622	3.2
159.04427	8.9
160.03885	1.4
160.05215	26.6
161.05977	9.0
162.02219	2.3
162.06758	0.7
163.03925	9.5
164.04718	6.1
168.04169	1.0
172.05197	9.2
173.02419	0.7
173.05974	3.5
174.03159	1.2
175.03986	1.3
175.06038	1.5
175.07556	25.4
176.07916	1.7
177.05481	8.1
178.06265	6.9
179.03366	0.7
187.07559	10.9
189.05505	0.8
190.06306	3.7
191.07033	2.1
192.07791	0.8
193.05006	1.3
193.08607	2.1
205.08603	3.0
241.04944	0.8
255.02800	0.8
281.08023	1.0
282.05466	0.9
295.05963	0.8
296.10495	0.8
297.11084	0.8
298.04865	1.3
299.05725	0.9
299.12878	1.7
309.07632	1.7
310.04669	0.8
311.05582	3.0
311.09372	0.9
311.12936	1.8
312.06256	2.4
313.07166	2.6
323.12921	0.9
325.07047	0.7
327.05127	1.2
329.13928	100.0
330.14215	12.3
339.05087	3.4
340.05536	0.9
341.07031	1.2
341.13928	10.9
342.14447	1.0
353.06628	2.7
359.15015	19.5
360.15341	1.9
369.06180	10.2
370.06439	1.4
371.07413	1.1
381.06000	2.4
383.11349	2.9
399.07297	7.7
400.07547	1.2
429.08301	2.1
441.08212	1.4
443.09775	1.2
444.10800	0.8
459.09412	5.9
460.00208	0.9
460.09634	1.5
473.10895	2.9
473.17413	1.0
489.10229	0.9
503.12109	1.2
545.13202	3.5
563.14063	18.7
564.14520	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	563.2146
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01732	1.5
55.04183	0.9
58.00462	2.0
59.01247	100.0
61.04359	0.8
62.24690	0.8
69.03319	1.7
71.01253	53.3
71.49999	0.9
72.99171	2.6
73.02814	75.9
74.03175	1.0
75.00737	0.8
83.01257	23.0
85.02814	5.2
87.00772	1.1
89.02325	8.4
93.03340	2.7
96.95881	6.8
97.88570	0.9
99.00734	1.2
101.02319	66.4
102.02657	2.0
107.01284	0.9
113.02334	11.5
117.34203	0.9
119.03355	2.9
121.02839	45.7
122.03178	2.0
125.02308	2.2
127.21945	0.8
129.06769	0.9
131.03378	3.5
133.02803	2.5
143.03394	3.5
147.04349	1.2
149.04437	3.4
155.03426	1.5
161.04477	9.4
172.05168	4.6
187.07343	1.1
189.05533	1.0
190.06219	6.1
192.08786	0.8
205.08641	1.8
264.07443	1.0
293.08008	1.5
300.05493	1.4
308.10571	1.8
311.05386	1.0
311.12726	1.5
313.06793	1.8
323.12769	2.7
326.11523	7.5
327.11758	1.8
339.04922	1.7
340.05640	1.0
341.05722	2.5
341.13892	42.2
342.06839	0.9
342.14252	4.6
353.06561	1.0
354.06610	0.9
369.05688	3.0
370.06314	2.5
371.06720	2.9
383.07385	1.1
387.06131	1.7
399.06537	1.6
401.07608	0.9
415.06525	1.2
417.07129	2.9
423.06271	0.9
459.08887	2.7
461.09830	4.2
475.08701	2.7
476.08960	3.9
477.09283	18.4
478.09268	2.0
503.19141	1.4
526.21893	0.9
545.12640	2.2
563.13623	2.4
563.21631	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	563.177
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34655	0.2
56.51921	0.2
57.03344	0.2
59.01249	5.1
61.98705	0.9
63.02260	1.4
65.00188	3.3
67.01763	0.6
68.99699	0.6
69.18771	2.2
71.01250	2.8
73.02808	0.9
83.01255	3.2
85.02837	1.2
87.00755	0.8
89.02345	0.3
93.03385	0.3
95.01277	0.4
96.95848	0.2
97.02838	0.5
98.19843	0.4
99.00760	0.7
100.10740	0.2
101.02324	1.8
107.01259	3.6
108.02073	0.7
108.73737	0.2
109.02857	0.4
111.33612	0.2
111.34395	0.2
113.02336	0.9
117.01876	0.3
121.02873	0.2
123.00748	0.3
125.02329	0.9
131.01309	0.4
133.02863	0.8
135.00764	0.2
136.01598	0.3
137.02306	0.5
141.07028	0.5
143.03421	0.3
143.04951	0.2
145.06497	3.3
149.02390	0.2
151.00278	9.5
152.00685	0.4
155.08772	0.3
161.04462	2.4
164.01080	0.8
169.01376	0.3
169.06482	2.1
171.04422	5.5
172.05203	1.2
173.06012	0.4
175.00192	1.1
177.01862	0.3
179.05519	2.7
183.08072	1.2
185.05939	0.6
187.07578	1.9
188.01205	0.3
191.81989	0.2
211.07573	7.3
212.07841	0.4
213.05493	3.9
223.07631	0.2
225.05508	0.4
227.07228	0.4
239.07225	0.2
241.08730	0.3
247.04588	2.2
251.07117	0.4
254.05992	0.3
255.06606	100.0
256.06946	8.1
256.09695	0.3
268.07288	0.3
269.08173	1.6
279.06622	8.5
280.07013	0.7
297.04532	0.3
297.07709	4.2
309.07626	0.8
315.18054	1.5
321.07761	0.3
327.21722	0.2
383.17004	2.1
416.42068	0.3
545.16876	0.2
563.17596	12.2
564.17816	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	563.1402
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06569	1.0
50.69255	1.0
54.19057	1.2
59.01235	4.5
61.98714	1.8
71.01248	4.5
71.30224	2.2
73.02802	2.0
75.00735	1.9
81.94884	1.1
85.02817	1.7
87.00748	1.1
93.03335	1.8
101.02287	1.3
109.02827	2.9
113.02355	1.3
117.03323	5.5
121.02896	1.6
123.00779	1.2
123.04398	1.6
133.02838	10.6
135.04430	5.7
137.02344	2.0
145.02831	1.8
149.02298	2.8
151.03896	1.4
159.04414	1.4
161.02299	3.9
163.03862	2.2
165.01804	1.5
173.02342	1.5
174.03043	1.1
175.02458	1.7
175.03944	3.8
177.01807	3.7
177.05484	2.1
179.03401	3.0
187.03955	2.1
189.01846	2.8
191.03445	2.7
201.01797	2.2
203.03477	3.6
205.01324	2.6
207.02950	5.2
207.04930	1.6
213.05586	1.4
219.02843	2.1
221.04514	1.2
225.05498	1.5
231.02885	1.5
233.04536	1.6
238.06235	1.3
239.07269	1.4
241.05019	1.5
251.07329	1.5
265.05081	1.4
266.05627	2.1
267.06509	3.4
269.04523	4.6
279.06607	1.4
281.04367	2.4
282.05365	9.5
283.06006	11.7
285.03796	1.5
293.04459	2.2
295.06104	8.7
296.06674	3.5
297.04001	5.1
297.07657	11.6
298.04831	9.5
299.05331	4.2
307.06195	2.3
309.04092	2.6
309.07608	4.7
310.04736	4.6
311.05542	23.4
312.06271	9.8
313.06979	7.8
314.04083	1.8
321.04086	2.1
322.04761	1.7
323.05609	10.7
324.06015	2.9
325.07294	9.3
327.04895	7.4
328.05670	3.9
335.05704	2.5
337.07031	5.7
339.05051	22.6
340.05334	3.7
341.06604	14.1
342.06970	2.2
351.05161	8.2
352.05634	1.8
353.06613	31.9
354.06927	4.5
356.05087	2.7
357.05582	1.8
363.05212	2.1
365.06509	4.5
367.04489	2.4
369.06097	59.5
370.06485	9.3
371.06906	4.2
381.06039	13.1
383.07602	17.9
383.11499	1.4
384.07913	3.0
387.06104	2.3
395.07935	2.7
397.05157	2.0
399.07178	45.5
400.07733	7.3
401.08286	5.3
411.07159	7.0
413.08478	4.5
417.07526	1.6
423.07132	2.0
425.08914	1.6
429.08167	11.7
430.08804	2.3
441.08249	9.4
442.08618	2.5
443.09851	20.9
444.09930	2.2
455.09705	3.9
457.07819	3.8
459.09259	50.6
460.09628	9.4
461.09912	3.9
471.09283	2.2
473.10925	24.6
474.11026	3.4
475.08990	1.7
476.09180	1.8
477.09372	11.6
489.10309	4.6
503.11887	4.6
527.11987	5.2
545.12958	100.0
546.13385	18.7
563.13995	97.7
564.14392	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	563.1404
Annotation	Vicenin 1
Peak:m/z	Relative Intensity
50.30063	1.0
59.01243	21.6
61.98676	3.2
63.16267	1.2
69.31808	8.4
71.01260	10.5
72.99168	2.0
73.02788	4.8
73.84158	1.2
75.00724	1.4
80.96364	1.6
83.01231	1.3
85.02810	7.0
87.00716	2.1
89.02327	5.5
93.03322	1.3
95.18491	1.1
101.02318	7.7
113.02287	3.3
115.00254	2.3
117.03320	6.9
118.97916	1.2
119.03377	1.6
119.04874	1.7
123.00693	1.4
125.02338	1.7
133.02823	4.1
135.04364	4.0
149.02347	2.4
149.05879	3.5
151.03835	2.4
159.04332	1.5
161.02281	3.0
161.04477	1.6
161.05865	1.3
163.03860	1.4
169.02293	1.3
175.00262	2.6
175.02448	2.3
175.03870	3.1
177.01808	3.5
179.03360	1.7
179.05444	3.7
179.06961	1.5
189.01846	2.3
191.03384	2.4
197.01857	1.2
203.03381	2.4
205.04974	1.2
207.02815	3.1
215.03265	1.4
217.04800	1.2
219.02835	1.7
241.05020	1.1
251.07106	1.4
255.06424	2.0
255.10138	2.4
267.06503	1.7
268.07050	1.8
269.04355	2.0
269.07394	1.6
277.04941	3.7
278.05389	3.2
279.05511	1.7
281.04514	2.4
282.05203	3.7
283.06049	14.0
284.03137	2.1
284.06110	1.4
285.03976	2.8
293.04504	3.9
293.07901	1.2
294.04956	4.3
295.05960	11.0
296.06564	3.9
297.04318	1.5
297.07581	15.1
298.04663	2.6
298.07809	2.0
299.05231	2.2
307.06064	4.7
309.03937	1.3
311.05591	12.8
312.06061	3.2
313.06790	2.5
322.04724	1.3
323.05579	9.5
324.05920	2.1
325.07071	7.0
327.04843	2.6
328.05817	3.6
337.07074	5.9
339.05017	4.2
341.06705	5.4
351.05127	6.4
352.05453	1.3
353.06635	29.2
354.06882	5.0
356.05087	2.4
365.06418	5.3
367.04468	1.8
369.06076	24.1
370.06271	2.7
381.06320	6.4
383.07629	17.7
384.07962	3.3
395.07779	2.2
397.09549	1.7
398.09329	2.8
399.06699	16.9
400.07297	2.6
401.21341	2.5
401.25928	2.1
411.06717	2.0
413.08603	2.0
425.08508	1.9
429.08047	2.9
430.08771	1.1
441.08011	3.6
443.09277	12.2
444.09897	1.5
455.09464	3.2
457.07587	3.7
459.09293	32.1
460.09540	4.8
473.10519	2.8
485.10690	1.6
489.09897	1.2
527.11707	1.6
545.12921	100.0
546.13397	19.1
563.14093	45.3
563.31183	5.9
564.14514	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	563.1403
Annotation	Isomollupentin 2''-O-glucoside
Peak:m/z	Relative Intensity
59.01212	0.5
70.79322	1.0
71.01231	2.0
74.65047	0.5
77.84008	0.5
79.01774	1.0
83.01254	0.6
93.03313	3.2
95.01273	0.7
102.09327	0.6
107.01305	0.7
117.03340	11.0
119.04895	2.4
121.02847	0.8
133.06502	0.8
135.04425	4.4
145.02888	0.6
147.04427	1.7
148.81770	0.5
149.02296	1.7
149.05907	1.0
151.03825	0.8
159.04407	1.6
161.02359	4.6
162.03130	0.8
163.03943	2.7
173.05989	0.7
175.03947	3.5
177.01828	1.8
177.05431	2.7
179.03365	1.4
185.02382	0.9
187.03880	1.0
189.01820	1.8
189.05502	0.8
191.03391	3.0
203.03404	2.9
205.05029	1.4
209.05859	0.9
215.03468	0.7
217.04977	1.1
221.04530	0.8
224.08336	0.9
225.05447	0.6
227.03635	0.6
233.04422	0.7
238.06348	0.7
239.07054	0.7
241.05153	0.7
245.04561	0.9
251.07166	1.1
253.05029	0.7
253.08693	1.3
267.06577	1.5
268.07428	2.6
269.04492	0.7
279.06583	1.5
281.04431	1.8
282.05365	4.0
283.06061	7.8
294.05249	0.7
295.06104	9.9
296.06812	5.7
297.07642	39.1
298.08029	4.4
307.06119	5.3
308.06775	0.8
309.07724	4.0
311.05542	6.0
312.05905	0.8
321.03940	1.0
321.07498	1.1
323.05502	5.6
324.05933	1.7
325.07129	11.6
326.07538	1.2
328.05890	5.3
335.05576	2.4
337.07132	6.4
351.04895	0.8
353.06635	49.7
354.07010	5.6
355.08221	1.2
365.06592	7.7
366.06860	0.9
377.06622	0.7
381.06296	0.9
383.07672	30.5
384.08023	4.7
395.07639	3.8
413.08749	4.8
425.08722	1.3
443.09769	11.5
444.10278	1.3
455.09952	1.3
473.10678	7.0
474.11240	1.3
503.11835	0.9
545.13031	0.7
563.14014	100.0
564.05560	1.0
564.14374	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	563.1402
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51918	1.6
58.96483	1.4
59.01243	1.6
69.25278	14.3
71.01234	1.9
96.66206	1.7
98.20506	3.7
109.02873	3.7
115.19073	1.9
133.02827	16.6
134.03667	2.2
135.04367	4.2
149.02409	1.7
161.05957	2.2
163.03932	1.9
165.01857	1.8
175.03949	6.1
177.01874	3.6
177.05467	3.5
179.03316	1.9
189.01903	2.5
191.03366	2.0
201.01788	2.5
203.03520	2.4
205.04924	1.8
217.04922	1.7
218.02612	1.9
227.03297	1.6
233.04500	2.0
239.06921	2.2
241.05038	2.5
245.04430	2.2
253.04909	2.3
267.06631	3.0
282.05258	2.2
283.06119	4.3
285.04221	2.1
297.04071	6.6
297.07370	1.8
298.04773	15.0
299.05524	8.9
309.03970	2.2
310.04895	2.5
311.05640	15.6
312.06348	17.9
313.07230	16.2
314.07703	1.8
323.05566	3.2
325.07181	3.5
327.05145	13.8
339.05075	29.6
340.05579	4.0
341.06784	12.7
344.05417	2.9
351.04791	3.9
353.06671	8.9
355.04074	1.6
357.06085	4.8
367.04422	2.2
369.06110	71.1
370.06329	8.6
371.07687	3.4
381.06177	14.5
383.07413	1.8
399.01974	3.4
399.07199	67.1
400.07672	9.8
411.07166	8.6
423.07257	2.6
429.08304	10.2
441.08463	8.5
459.09320	35.5
460.09799	7.7
471.09351	2.0
473.10898	18.1
473.76459	1.8
474.11349	3.0
489.10416	6.8
490.10397	1.6
503.11774	8.9
545.13196	8.9
563.14014	100.0
564.14087	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	563.1402
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59587	0.4
61.49783	0.4
64.82279	0.5
70.52036	0.8
70.52363	0.8
71.01238	0.6
98.19936	0.5
103.28242	0.5
109.02840	2.1
126.78677	0.5
133.02829	6.5
134.03612	0.9
135.04347	0.8
149.02336	0.8
156.36734	0.5
175.03992	2.4
177.01837	2.1
177.05431	0.9
179.03429	0.6
191.03445	1.2
194.01904	0.6
201.01884	0.7
203.03372	1.2
205.01340	0.7
215.03317	0.5
217.05064	0.8
227.03445	0.7
233.04510	0.9
239.07185	0.5
241.04874	0.9
245.04457	1.0
255.06430	0.6
257.04581	0.5
267.06369	0.7
269.04529	0.6
279.06622	0.5
283.06110	0.8
284.06339	0.5
295.06311	0.5
297.03918	1.9
298.04810	6.3
299.05554	3.2
309.04041	0.6
311.05515	4.9
312.06305	7.8
313.07166	5.7
314.07364	0.8
323.05515	1.7
325.07153	1.1
327.05145	4.7
328.05554	0.8
335.05457	0.5
339.05051	13.0
340.05417	2.1
341.06610	5.9
344.05225	0.7
351.05054	0.8
353.06497	3.4
354.07208	0.6
357.06131	1.4
367.04309	0.8
369.06131	41.1
370.06458	4.2
371.07541	1.2
381.06192	6.3
382.06427	1.1
383.07730	1.0
395.07706	1.1
399.07187	38.5
400.07556	5.0
411.07068	3.6
412.07587	0.7
413.08679	0.9
423.07120	1.5
429.08200	7.8
430.08572	0.9
441.08276	7.6
442.08508	0.6
446.08347	0.7
459.09293	40.8
460.09561	5.4
471.09167	1.6
473.10797	11.3
474.11374	1.8
485.10858	1.2
489.10303	6.1
490.10638	1.1
503.11856	6.3
504.12399	0.8
527.11395	0.6
545.13074	5.9
546.13452	0.6
563.14020	100.0
564.14362	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	562.2652
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53984	0.6
52.48828	0.6
55.75069	0.7
59.01236	1.0
61.98699	3.6
66.03352	0.9
70.05451	3.0
72.99154	0.7
78.95774	1.9
83.01250	1.9
99.00734	0.7
109.06474	1.3
109.55770	0.7
111.00760	1.7
112.03899	0.9
113.37472	0.6
114.05494	48.6
114.39065	0.7
115.05845	1.1
118.95524	0.6
123.08020	1.0
141.09071	0.7
152.07037	0.9
159.92659	0.7
171.10185	0.7
174.01564	0.8
195.36040	0.7
197.15361	0.9
211.13319	1.1
223.13379	0.9
249.14851	3.5
251.16467	1.0
267.16068	2.1
295.06091	1.1
296.06686	0.9
297.07550	1.2
312.39264	0.7
319.22794	1.3
323.05472	0.8
353.06537	3.2
357.20825	1.0
369.06210	1.4
372.29242	0.7
375.21835	2.0
383.07755	1.8
399.07019	1.7
443.09738	1.0
447.24875	0.7
473.10626	0.7
518.27576	1.8
562.26532	100.0
563.14130	9.2
563.26910	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	563.1402
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01936	0.5
71.37056	0.7
81.94540	0.5
83.01279	0.5
95.01260	0.7
109.02820	0.9
116.75436	0.5
123.04311	0.5
124.28744	0.5
133.02840	5.6
134.03590	0.9
135.04431	0.6
149.02324	0.7
163.03809	0.8
175.03900	1.9
177.01877	1.7
177.05461	0.8
199.03873	0.7
203.03387	1.1
205.01384	0.8
213.05463	0.6
217.04968	0.7
236.07170	0.6
254.40051	0.5
282.05331	0.6
283.06079	0.7
284.06790	0.5
297.04086	1.4
298.04761	4.8
299.05331	2.4
311.05603	4.9
312.06305	5.7
313.07095	5.5
323.05530	1.3
325.07068	1.1
327.05078	2.8
339.05005	6.2
339.08643	0.8
340.05304	0.6
341.06537	3.1
344.05258	1.0
353.06805	2.6
357.06097	0.8
369.06104	25.3
370.06519	3.1
371.07703	0.7
374.70914	0.5
381.06213	3.2
383.07883	0.9
399.07175	20.3
400.07623	2.9
411.06985	2.4
423.07156	1.0
429.08194	4.8
430.08777	0.6
441.08234	1.1
453.07956	0.8
455.10034	3.9
456.10156	0.9
459.09271	9.3
460.09625	2.3
473.10837	37.5
474.11197	6.5
485.10925	1.4
489.10416	4.4
490.10394	0.7
503.11942	7.9
504.12390	1.2
527.11938	1.1
545.13007	6.4
546.13409	0.8
563.14001	100.0
564.14386	19.1
564.21545	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.3279
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	1.4
56.16082	1.2
57.03320	2.3
58.00460	3.1
59.01247	100.0
61.67060	1.4
61.98696	8.3
67.52463	1.5
70.26518	4.3
71.01251	38.9
72.99174	2.8
73.02821	3.3
79.63191	1.4
83.01255	3.5
85.02820	9.9
87.00755	3.1
89.02313	62.0
99.00755	2.0
101.02323	21.4
113.02333	19.3
119.03394	27.5
121.02812	2.1
131.03381	3.1
143.03427	5.3
145.02870	1.9
149.02254	1.4
149.04510	2.0
161.04507	8.9
171.10167	14.7
177.03365	2.4
179.05527	28.5
181.06366	1.8
185.11708	2.3
197.11739	2.1
209.11713	2.2
210.67818	1.8
213.11209	1.6
223.07693	3.6
227.12764	2.7
251.72815	1.4
253.04988	4.4
253.09288	8.8
265.05093	4.0
266.05652	2.5
267.06601	33.6
268.06946	2.2
275.08865	1.8
277.05020	1.7
277.18353	3.1
279.06604	3.5
289.18149	2.5
295.06100	54.1
296.06430	6.3
307.06046	4.6
307.19147	4.7
325.07147	11.4
325.20218	13.0
326.20486	2.2
339.25455	2.8
357.26431	2.4
379.08151	2.0
450.94678	1.6
501.30725	20.0
502.31192	2.8
519.31805	4.1
561.16113	43.1
561.33545	8.5
562.16199	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	561.3066
Annotation	Unknow
Peak:m/z	Relative Intensity
55.13235	1.9
59.01245	4.2
71.01245	10.5
71.51572	2.4
73.02833	3.4
83.01273	1.9
83.66451	1.5
85.02821	3.4
93.03321	2.5
95.04897	100.0
100.49056	1.5
101.02307	3.9
111.04431	2.5
113.02328	2.8
121.02844	53.4
121.57828	1.6
122.03204	3.5
139.03908	52.1
161.04424	5.3
211.13332	5.4
277.21713	89.4
278.21933	8.0
284.26788	2.6
561.30920	12.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.2916
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98620	1.2
55.01754	2.8
57.03309	5.6
57.41840	1.0
58.00462	2.3
59.01249	68.2
60.81579	1.2
61.47556	1.2
61.98703	20.5
67.16144	1.1
69.03322	3.4
69.26882	4.3
69.27321	6.5
71.01254	38.5
71.04890	5.6
72.99162	4.5
73.02838	8.7
74.98917	1.4
75.00766	1.5
80.02544	3.3
80.04941	1.1
80.10602	1.4
81.03324	1.6
83.01262	6.9
83.04880	4.9
85.02826	13.6
85.06491	1.3
87.00763	6.4
87.04348	1.6
89.02323	22.6
95.01234	2.3
95.04887	3.4
97.02836	3.4
97.06465	9.3
99.04393	2.5
101.01711	1.9
101.02328	25.6
102.02679	1.3
104.04961	1.7
107.04926	1.7
109.06472	20.0
111.00771	1.5
113.02330	15.1
115.07509	2.5
119.03357	8.3
120.99467	1.4
121.02834	1.7
122.06013	5.1
123.08054	2.1
124.07552	4.0
125.02290	1.9
125.09604	5.1
127.07511	5.0
133.02863	2.7
135.08054	2.5
136.03976	1.6
143.03383	2.9
143.04460	1.1
148.03931	9.5
149.04422	1.6
151.11125	1.9
153.09125	17.2
154.09450	1.2
155.10710	2.3
161.02263	1.7
161.04431	10.5
163.11182	2.8
165.01840	1.4
166.04994	2.4
168.06567	1.4
169.12260	3.9
171.10172	43.2
175.03847	1.8
178.09898	2.7
178.99805	1.3
179.05490	5.3
179.10747	1.6
181.06406	1.6
181.12236	3.6
183.13861	1.9
185.11734	5.1
191.10741	1.7
193.12468	1.2
194.01053	1.3
197.09993	1.9
197.11771	37.1
198.12123	2.7
199.13321	4.8
209.11781	38.4
210.12131	2.6
211.11485	2.5
211.13332	29.0
223.07683	2.4
227.12801	3.0
235.13354	9.1
237.14893	3.8
241.18094	3.7
245.19002	1.8
253.05074	2.4
253.09259	63.3
254.09604	2.2
265.04962	2.4
266.05637	1.7
267.06616	16.2
268.06940	1.8
273.12430	5.3
279.06528	1.7
285.04056	1.4
289.18115	11.1
291.13422	4.9
293.04660	1.3
295.06100	29.6
296.06406	4.4
297.20660	3.0
297.23941	1.5
307.06125	2.9
307.19113	55.2
308.19519	7.7
311.05408	2.4
312.09656	1.5
313.03610	14.2
314.04022	2.3
317.11273	1.6
321.24158	1.4
325.07208	7.4
325.20187	100.0
326.20584	11.7
334.11761	3.5
335.12448	28.3
336.12796	2.5
337.07260	1.8
339.25360	4.2
357.26553	9.0
369.05655	1.5
379.08105	1.4
411.06970	1.8
413.08817	1.5
474.20700	3.1
475.08890	1.9
501.30582	15.6
502.30594	1.6
519.31921	8.4
543.27960	14.2
544.28467	2.0
561.16290	17.7
561.33160	52.5
562.16040	4.4
562.33618	9.1
564.25415	1.4
588.82574	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	561.2558
Annotation	Unknow
Peak:m/z	Relative Intensity
57.92191	0.9
59.01240	1.2
61.98703	88.1
64.33758	0.8
67.23982	0.8
68.20430	0.8
71.51935	1.4
78.92932	0.8
78.95779	31.0
81.99395	0.8
85.12907	0.7
87.85411	0.7
93.51369	0.7
122.00026	1.5
122.96143	0.9
140.01086	6.9
140.57666	0.8
152.99522	4.0
160.90038	0.7
164.90729	1.0
171.00595	1.2
196.03749	11.7
214.04764	3.0
279.23294	100.0
280.23621	9.9
289.59082	0.9
364.20877	1.0
440.49191	1.0
476.27814	59.5
477.28259	9.0
509.01022	0.9
561.25659	22.4
562.25543	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	561.2914
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35541	1.2
55.01752	2.1
57.03314	4.7
58.00447	2.3
58.10896	1.4
59.01247	84.9
61.98702	52.0
69.03321	4.9
70.79601	3.4
71.01254	41.7
71.04884	4.8
72.99181	5.7
73.02814	10.2
74.02332	1.5
80.02524	2.2
81.03340	1.7
83.01242	8.1
83.04904	6.3
84.02074	2.0
85.02820	14.9
87.00759	5.4
87.04382	1.6
88.00649	1.4
89.02312	28.5
93.03311	2.4
95.01218	2.3
96.95900	1.5
97.02837	4.9
97.06464	6.4
99.00752	2.8
99.04314	1.9
101.02322	30.1
103.03915	1.5
109.06470	13.3
111.00761	2.9
113.02329	18.0
115.07475	2.3
119.03359	9.4
119.04907	1.4
121.02811	1.5
121.06494	1.5
125.02345	4.5
125.05970	1.8
125.09603	3.2
127.07514	5.3
131.03398	3.1
133.02812	2.3
143.03372	3.9
143.04523	2.0
145.02893	1.7
151.11134	1.7
153.09076	3.1
155.10645	1.5
161.04454	10.5
163.00327	1.4
163.05954	2.0
163.11215	3.7
165.12770	3.5
166.04938	1.5
169.12198	2.4
171.10178	20.4
178.00505	1.4
178.02576	2.2
178.09914	2.7
179.05527	5.2
179.10660	1.5
181.12328	2.9
185.11728	5.5
191.10690	2.8
193.04987	5.0
193.06517	62.9
194.06866	4.3
197.11751	33.3
199.13252	3.7
201.11092	1.4
209.11766	100.0
210.12012	6.7
211.13347	13.6
212.13705	1.9
227.12801	11.2
228.13173	1.7
232.48700	1.5
235.13356	3.9
237.14832	2.2
245.19101	1.8
253.05281	7.5
253.09241	53.5
254.09520	2.9
265.05017	10.5
266.05185	1.8
267.06631	11.6
283.06018	10.2
289.18060	9.5
295.06152	27.8
296.06247	2.0
298.04797	1.9
304.19095	1.4
307.10281	1.6
307.19135	56.3
308.19345	5.0
311.05490	2.6
325.07172	3.3
325.20187	85.0
326.20456	9.7
330.13675	1.4
335.12457	3.8
337.23691	2.1
339.05182	1.4
339.25052	1.7
357.26389	4.2
367.04642	1.8
369.06259	2.3
381.22864	3.7
399.23627	2.7
421.47229	1.6
474.20856	2.2
475.08914	4.1
483.29355	2.4
501.30743	30.5
502.30948	5.6
519.31818	9.4
543.28003	13.1
561.16351	10.8
561.29620	31.9
562.16187	1.9
562.29480	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.2555
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	0.5
61.98700	73.7
62.70113	0.5
69.24685	3.0
69.25110	2.4
78.95774	8.8
88.20838	0.5
98.20520	1.0
113.81580	0.5
133.34470	0.5
140.01085	2.1
152.99503	1.2
184.70818	0.5
196.03717	1.3
214.04785	3.1
279.23279	100.0
280.23621	11.4
312.46512	0.5
327.34616	0.6
364.20972	3.3
476.27811	27.8
477.28229	3.9
561.25525	16.9
562.25488	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82188	1.6
51.49143	1.7
52.13692	1.9
56.22638	1.8
56.57301	1.8
58.00451	2.4
59.01250	100.0
60.01593	2.0
61.98702	3.8
62.11452	1.9
69.40509	12.8
69.41177	2.0
71.01253	44.2
72.99174	3.1
73.02817	44.0
75.00721	2.9
79.86559	1.9
80.96403	7.6
81.03326	2.3
83.01250	13.7
84.66643	1.9
85.02831	11.6
87.00760	6.4
89.02307	16.1
89.55917	1.9
90.70005	1.9
95.01264	3.6
96.04572	1.6
96.95880	5.2
97.02838	3.0
101.02310	38.9
103.03887	2.0
108.40865	1.8
113.02335	14.2
115.00251	5.9
117.03362	7.9
119.03401	6.7
125.02333	8.2
128.03462	2.9
131.03334	4.3
133.02826	11.2
135.04489	3.2
143.03412	3.0
143.04535	2.4
145.02881	4.8
149.02325	2.7
149.04457	2.8
155.03459	2.6
159.04381	3.0
161.02356	4.5
161.04498	8.3
163.03925	4.3
165.03986	3.7
173.02394	1.8
175.00327	2.4
175.02412	12.7
175.03873	3.6
177.01883	3.2
182.31523	1.9
191.05501	3.8
203.03433	2.5
203.07114	2.4
225.00539	3.2
233.15410	2.1
235.07681	2.5
237.09308	2.0
239.07307	2.5
240.26089	2.1
255.06950	2.9
263.07117	8.1
265.05194	2.3
267.06631	2.9
269.04568	3.6
272.08975	2.9
280.07465	3.0
281.04611	4.9
281.08188	16.0
282.05405	7.0
282.08502	2.8
283.06119	15.0
285.03998	4.7
291.06668	5.1
292.07281	3.4
293.04587	15.4
293.08121	4.7
294.05072	3.1
295.06195	8.5
296.06540	2.9
297.04132	4.7
297.07700	11.8
298.04852	4.8
299.05563	5.6
306.07776	3.2
307.09973	3.9
308.10513	3.6
309.04416	3.8
309.07675	58.6
310.04745	2.5
310.08023	7.0
311.05588	24.8
312.06219	4.4
313.03455	2.2
313.07013	2.3
323.05618	7.7
323.09326	10.1
324.09955	29.3
325.03650	3.0
325.07175	8.0
325.10553	2.2
327.05057	4.7
337.03470	13.5
337.07208	5.2
339.05444	12.4
339.08832	3.4
339.12317	70.9
340.05408	3.2
340.12677	6.7
341.06766	8.8
351.05276	3.1
353.06650	19.6
354.07065	3.1
355.04584	4.0
357.06049	2.4
365.06760	5.5
366.92169	2.2
367.04596	4.5
369.06250	11.2
383.07703	13.9
385.05579	7.0
395.07687	4.2
397.04770	2.6
397.09494	12.4
399.07242	6.3
413.08768	5.0
415.06488	4.6
457.12482	10.8
459.09259	13.4
471.09753	3.9
475.08829	75.4
476.09125	11.2
487.12781	3.1
495.07068	2.0
543.11700	7.9
543.21466	5.0
561.15900	77.2
561.22754	8.0
562.16266	15.7
562.23541	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34629	2.0
59.01247	71.3
61.33489	2.3
65.67451	2.1
66.67245	1.9
71.01241	10.1
71.49335	2.6
73.02823	5.1
85.02829	8.3
89.02325	11.4
101.02301	7.7
102.65597	2.4
103.03870	8.8
109.02848	4.7
119.03372	5.9
121.02811	11.4
133.02852	12.7
145.02823	4.1
149.02332	3.3
159.04413	2.8
163.03909	4.2
163.06099	2.8
173.46698	2.4
175.00299	2.6
175.03972	7.6
177.01836	3.8
190.06252	3.3
211.67654	2.3
222.05229	5.4
223.07515	5.4
235.07553	4.6
239.07092	2.8
249.05696	2.4
251.07175	3.2
253.05019	8.7
253.08723	3.3
262.06396	2.6
263.07053	9.9
265.04968	6.3
266.05716	3.6
267.06583	39.2
268.07120	4.4
269.08163	8.3
275.05624	2.1
277.05011	19.6
277.13159	2.3
278.05240	3.1
279.06665	14.0
280.07166	2.4
281.08121	13.1
283.09668	4.4
292.20593	2.3
293.08087	5.1
294.08963	11.3
295.06091	65.4
295.09372	2.8
296.06519	7.3
296.10358	2.8
297.04166	6.0
297.07565	35.9
298.04776	7.7
299.05551	8.7
305.06549	2.6
307.05966	7.1
308.07147	2.3
308.10550	5.4
309.07623	54.2
309.11261	23.4
310.04843	4.0
310.08069	5.4
310.11447	2.8
311.05591	4.4
312.06424	4.3
312.09970	34.7
313.07196	4.9
323.05658	2.7
323.09332	5.9
324.10037	20.9
325.07053	16.8
327.05499	13.6
327.12329	100.0
328.12656	10.5
337.07144	4.8
338.67706	2.5
339.05527	11.5
339.12329	71.6
340.12506	7.7
341.06635	3.4
343.04422	3.5
353.06656	4.5
357.06265	11.5
365.08783	4.5
367.04535	4.1
369.06155	9.0
381.05920	4.3
385.05664	7.0
397.05331	6.2
397.09442	7.1
399.07159	4.1
407.09973	3.4
415.06598	3.8
417.08167	15.3
418.08139	2.9
427.06787	3.3
433.07654	4.1
457.07428	5.7
459.09189	6.0
471.09106	3.4
475.08640	26.1
476.09143	5.0
487.08801	9.2
517.09625	2.5
543.11273	21.2
544.11786	3.4
561.16315	63.7
562.16449	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	561.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63902	0.1
59.01253	1.0
61.98693	0.4
63.02263	2.7
65.00184	1.1
69.16984	1.5
69.87917	0.2
71.01251	0.5
79.01747	0.2
80.67517	0.2
85.02824	0.5
89.00208	0.4
89.02328	0.3
96.95922	0.2
101.02329	0.4
101.03802	0.2
107.01247	1.5
113.02329	0.2
119.04900	0.4
121.02825	0.2
127.15413	0.1
135.98199	0.2
143.04924	2.0
145.02873	0.9
151.00281	0.6
160.85188	0.2
165.06987	0.5
167.04912	0.3
180.05647	0.5
180.98808	0.2
181.06520	0.6
185.06033	0.6
209.06036	2.2
211.03961	0.5
225.05441	0.3
253.05025	100.0
254.05365	8.0
267.06598	1.5
268.06976	0.2
274.80991	0.2
293.04541	0.3
295.06058	3.0
296.06558	0.3
307.06326	0.3
325.07153	0.7
397.09244	0.4
406.09613	0.2
501.30756	0.3
561.16138	1.5
562.16309	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.1609
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	1.3
65.00207	1.0
71.01244	0.9
71.27470	0.6
71.57639	0.4
77.03827	3.7
79.01759	3.6
89.03905	0.5
93.03365	0.4
95.01280	0.8
98.65231	0.4
101.03826	0.5
103.01799	0.7
105.03333	1.1
110.85590	0.4
111.46378	0.4
117.03324	1.3
119.04920	1.3
121.02824	3.8
136.01581	0.4
143.04906	3.6
145.02861	4.7
149.02350	0.5
157.06407	0.7
161.02419	0.5
163.00250	0.7
165.01837	3.6
167.08543	1.7
175.00266	1.1
179.08652	0.6
180.05707	1.0
181.06516	3.6
193.06618	0.6
194.07249	0.9
195.08058	1.5
208.05310	0.7
209.06050	0.9
221.05945	0.5
222.06755	0.4
223.07596	8.1
224.07843	0.9
225.05714	0.4
235.07625	0.6
237.05453	2.1
238.06282	1.6
239.07118	2.2
246.12405	0.4
251.07196	0.5
253.05042	5.0
263.07101	1.0
265.05026	9.6
266.05753	5.4
267.06610	76.2
268.06964	5.9
277.05057	2.6
278.05420	0.5
279.06644	7.6
280.07004	1.3
289.04987	0.5
292.03885	0.7
293.04584	1.0
295.06100	100.0
296.06451	10.2
298.04825	3.7
305.04462	0.7
307.06110	8.3
308.06537	0.8
309.07666	0.5
323.05692	0.5
325.07141	23.8
326.07480	2.6
337.07190	2.0
361.07147	0.7
379.08182	3.3
380.08600	0.4
397.09317	0.5
561.16089	47.1
562.16461	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	561.1612
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01046	0.3
59.01252	3.5
70.45507	1.5
71.01253	2.9
73.02814	0.6
79.01772	0.7
80.96373	0.5
83.01267	1.2
85.02828	0.8
85.54795	0.4
87.00747	0.5
89.02309	0.5
91.05431	0.4
95.06927	0.4
96.95892	0.4
99.00803	0.4
101.02348	1.2
109.02835	1.1
113.02322	0.8
119.04909	2.0
121.02850	1.2
130.04140	0.4
131.04906	0.7
133.02869	4.0
135.04411	1.5
145.02853	1.9
147.04414	0.8
149.02351	1.5
151.03897	0.6
159.04395	0.6
161.02315	1.5
163.03845	2.0
173.02275	0.5
175.03973	2.2
177.01828	1.9
179.03453	1.0
181.06509	0.6
183.46750	0.4
187.03961	0.5
189.01897	0.7
191.03371	1.6
201.01891	0.7
203.03471	1.8
205.01387	0.6
208.08865	0.7
217.01416	0.5
221.04353	0.9
233.04501	0.6
235.07565	0.7
237.09152	0.8
238.06230	0.5
239.06966	0.5
242.79733	0.4
251.07161	1.0
252.07913	1.8
265.04919	0.6
266.05707	0.8
267.06537	3.3
269.04227	0.5
279.06647	4.9
280.07288	1.9
281.08182	18.4
282.08551	2.4
283.06281	1.2
291.06635	2.0
293.04572	3.8
293.08221	2.1
294.05246	1.9
295.06094	5.7
296.06400	1.0
297.04028	1.4
298.04709	2.2
299.05615	2.2
307.06082	2.8
308.06677	1.0
309.04144	1.1
309.07654	7.9
310.08066	0.7
311.05545	2.6
312.06424	3.9
313.06967	2.1
319.06149	1.6
321.07748	1.7
323.05588	0.5
325.07233	1.0
326.03961	0.5
327.05157	1.8
337.07169	29.0
338.04034	0.6
338.07507	3.6
339.05057	4.7
339.08746	0.8
340.05841	1.8
341.06644	1.7
349.07147	4.3
350.07581	0.6
351.05014	0.7
351.08887	0.9
353.06741	0.7
355.04562	1.2
357.06125	1.4
365.06586	0.6
367.04465	1.9
367.08340	14.9
368.08713	2.1
369.06149	4.1
370.06985	0.8
371.07782	0.5
379.08316	1.6
385.05624	3.9
386.06097	1.0
397.04953	2.1
397.09970	0.9
399.06982	1.2
409.09540	0.6
415.06668	4.1
417.08585	0.6
417.15656	0.7
423.10663	0.6
427.06583	0.6
434.75864	0.5
441.11926	16.7
442.12186	2.2
457.12192	3.6
459.09232	2.6
471.13141	6.6
472.13834	0.9
475.08795	31.1
476.09161	4.5
483.13126	1.2
543.14948	0.6
561.16125	100.0
562.16565	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	561.1611
Annotation	Unknow
Peak:m/z	Relative Intensity
58.28380	0.6
59.01246	8.7
61.98275	0.5
65.00193	0.9
65.22372	0.5
71.00890	1.2
71.01228	2.4
72.99167	0.9
73.02808	0.8
77.03822	2.2
79.01740	1.9
83.04810	0.6
85.02799	2.1
87.95257	0.6
89.02287	2.6
101.02296	2.2
103.03863	0.6
105.03336	0.8
106.61977	0.6
107.01370	0.7
108.02083	0.6
109.02122	0.6
109.02820	2.3
117.03303	1.2
119.04906	1.1
121.02819	2.1
133.02841	5.6
134.03638	1.0
136.01443	0.6
143.04884	2.7
144.34441	0.7
145.02849	3.0
149.02303	0.8
161.02397	0.7
163.00218	0.8
165.01750	2.0
175.00299	1.2
175.03889	1.4
177.01915	1.3
181.06474	2.0
189.01849	0.9
193.06583	0.7
195.08173	1.4
201.01814	0.8
203.03461	0.7
209.06033	1.1
223.07544	4.8
225.05402	0.7
229.05089	0.6
235.07782	0.6
236.53752	0.7
237.05440	1.1
238.06253	1.5
239.07040	1.3
243.02989	0.8
253.04985	5.3
265.05063	6.2
266.05795	3.7
267.06601	54.0
268.06958	4.7
275.05582	0.9
277.04996	5.0
278.05457	1.1
279.06668	4.9
280.06870	0.7
281.08231	0.9
285.04193	1.2
293.04449	1.4
295.06094	100.0
296.06400	11.5
297.04031	2.6
298.04828	6.4
299.05588	4.9
307.06104	9.7
308.06436	1.0
309.03961	1.6
309.07663	1.6
310.04727	1.0
311.05588	4.4
312.06363	3.0
312.09659	0.8
313.07190	2.7
317.06586	0.8
323.05759	1.3
324.10037	0.8
325.03531	1.0
325.07135	24.6
326.07370	2.9
327.05103	9.5
327.12476	2.5
329.06387	0.7
337.07205	4.3
338.04221	1.1
339.05032	5.7
339.12372	2.7
341.06671	1.6
343.04135	0.9
347.07813	1.1
353.06747	1.9
355.04587	1.0
357.06088	4.7
358.06702	1.0
365.08679	2.1
367.04681	2.7
369.06125	6.2
379.08191	2.8
381.05911	0.9
385.05533	3.0
386.06085	0.9
397.05539	2.8
399.07068	4.3
407.09689	2.3
415.06747	2.7
416.06726	0.8
417.08206	8.0
427.06854	1.4
433.07745	3.1
445.07617	1.3
453.08606	1.3
454.08722	0.7
457.07813	3.0
459.09430	6.9
459.39288	0.6
460.09506	1.0
469.07565	0.7
471.09381	1.7
475.08807	20.0
475.15320	1.2
476.09006	2.9
483.54379	0.7
487.08823	2.7
515.11713	1.1
517.10327	1.0
523.21973	0.7
525.10266	0.8
543.11157	7.3
544.11774	1.6
561.16180	50.3
562.16565	10.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.1606
Annotation	Unknow
Peak:m/z	Relative Intensity
58.53579	0.8
59.01236	1.9
62.50260	0.7
64.46668	0.7
69.70219	4.0
71.01246	2.2
77.68496	0.8
79.01742	0.8
85.02814	0.8
96.95862	1.1
101.02337	0.8
106.79691	0.6
107.04962	0.9
109.02810	1.3
110.13873	0.6
119.04901	2.8
120.35364	0.7
122.43303	0.7
123.04396	0.7
133.02882	4.3
135.04414	3.1
145.02846	1.9
147.04465	0.7
149.02361	1.5
159.04475	0.7
161.02356	1.7
163.03899	2.9
175.03888	3.0
176.04758	0.7
177.01810	2.3
191.03413	3.8
202.78731	0.7
203.03442	2.2
205.01410	0.8
207.02953	0.9
208.08952	1.0
215.03432	1.0
219.02913	1.0
233.04430	0.9
235.07607	0.9
237.09003	0.8
238.06183	0.8
251.07132	1.1
252.07997	1.1
253.05006	1.0
265.05286	0.7
266.05582	0.8
267.06598	3.9
279.06860	4.1
280.07404	3.7
281.08188	24.6
282.08493	2.8
283.06131	0.9
291.06583	2.4
293.04898	1.1
293.08261	2.5
295.06143	5.8
297.04056	2.4
298.04959	2.1
299.05536	3.5
307.06125	2.8
308.06836	1.0
309.07648	11.7
310.04852	1.6
310.08105	1.3
311.05508	3.6
312.06427	6.0
313.07132	3.3
319.06082	1.8
321.07645	3.0
322.08099	0.8
323.05777	0.9
325.07159	2.0
327.04831	3.4
337.07153	48.2
338.04166	1.1
338.07568	5.1
339.05057	8.1
339.08835	1.8
340.05582	2.0
341.06552	2.4
349.07120	6.6
353.06650	1.8
355.04645	1.3
357.06113	2.1
365.06604	1.5
367.04358	4.8
367.08234	26.4
368.08459	3.4
369.06091	8.7
379.08191	2.1
385.05692	6.8
397.05075	3.7
397.09778	1.7
399.07300	2.3
415.06686	7.3
420.52222	0.8
441.11865	19.7
442.12259	2.4
457.07425	2.1
459.09482	2.6
471.13098	8.2
472.13333	0.9
475.08789	49.3
476.09109	8.6
483.13086	1.3
561.16107	100.0
562.16425	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	561.1247
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03938	0.5
69.19250	4.9
71.01253	1.2
79.96648	0.5
98.20528	0.8
109.02797	2.4
116.11023	0.6
119.04936	0.6
130.04176	0.5
133.02820	8.2
134.03641	0.7
135.04404	1.0
137.02408	0.6
147.04373	0.6
149.02345	1.2
149.49600	0.5
161.02267	0.8
163.03935	0.7
175.03905	2.3
177.01878	2.7
179.03442	0.6
189.01805	0.8
189.05536	0.7
191.03354	0.8
199.03906	0.5
201.01826	1.4
203.03484	1.7
205.01387	0.9
207.03006	0.8
215.03571	0.6
216.99637	0.5
217.17834	0.5
219.02945	1.2
225.05591	0.9
227.03360	0.6
230.01964	0.7
231.02887	1.3
233.04480	0.8
233.51193	0.5
239.07120	1.1
245.04672	0.7
247.05957	0.7
253.04997	0.8
261.04108	1.0
265.04968	0.7
267.06696	2.7
268.03687	0.6
269.04587	1.0
275.05634	2.0
279.05161	0.9
281.04517	0.9
282.05365	0.6
283.05978	1.0
285.03900	1.0
287.96588	0.5
293.04556	1.4
294.05313	0.6
295.06088	3.8
297.04102	4.1
298.04700	4.7
299.05579	7.5
300.05789	0.6
303.84357	0.5
305.06778	1.4
309.03958	1.7
309.07388	0.9
310.04880	1.4
311.05582	7.7
312.06223	4.1
313.07190	5.4
317.06735	1.1
323.05533	1.5
325.03549	0.9
325.07123	1.8
327.05096	13.9
327.09039	0.7
328.05484	1.3
329.06528	1.3
330.03860	1.0
337.03436	1.5
337.07120	1.1
338.04187	1.6
339.05045	18.8
340.05429	2.1
341.06558	5.0
343.04483	1.5
344.05347	0.9
347.07730	1.7
351.05103	0.7
353.06537	4.1
355.04449	3.8
357.06161	8.4
358.06372	0.7
365.08627	2.1
367.04547	9.5
368.04883	1.2
369.06137	18.6
370.06522	1.7
371.07660	1.9
379.04407	0.8
381.06116	3.9
383.07739	1.4
385.05606	16.0
386.05997	1.4
395.03342	0.8
397.05493	9.9
398.05890	1.1
399.07184	8.7
400.07660	1.5
407.10104	2.5
409.05374	1.0
411.07169	1.8
415.06644	14.6
416.06989	1.5
417.08188	8.7
418.08652	1.5
427.06677	2.8
429.08374	1.2
433.07788	2.0
439.06726	0.7
441.08344	2.1
445.07645	1.5
453.08252	2.5
455.09576	0.6
457.07675	8.5
458.08118	2.1
459.09311	10.7
460.09839	1.4
469.08420	1.1
471.09250	2.2
475.08786	100.0
476.09055	13.3
483.09305	1.0
487.08542	4.1
488.09296	0.7
489.10681	0.7
501.09998	0.6
515.11743	0.9
517.09613	1.1
525.10205	0.8
543.03839	1.0
543.11426	10.9
544.11487	1.7
561.11932	8.5
562.13141	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	561.1247
Annotation	Unknow
Peak:m/z	Relative Intensity
53.72647	0.4
59.01246	3.1
61.98689	0.8
71.01252	1.9
73.02806	0.8
77.96326	0.4
79.01722	0.5
83.01229	0.6
85.02844	0.6
101.02313	0.7
101.52334	0.4
102.85931	0.4
109.02834	2.0
113.02313	0.8
121.02831	0.8
133.02841	10.5
134.03627	1.4
135.04399	1.7
136.01495	0.5
147.04398	0.9
149.02313	1.0
151.03940	0.7
160.01535	0.5
161.02382	1.0
161.04535	0.4
163.00279	0.5
163.03932	1.0
173.02286	0.5
175.03935	3.1
177.01901	2.1
177.05440	0.8
179.03389	0.9
189.01929	0.7
189.05655	0.5
191.03371	1.2
199.03943	0.5
201.01843	1.6
203.03371	2.2
204.03909	0.4
205.01312	1.1
207.02948	1.4
213.05556	0.6
215.03435	0.6
219.02914	0.8
223.07440	0.5
227.03549	0.8
231.02846	0.8
233.04500	0.9
239.07133	0.8
241.05167	0.7
243.03036	0.8
245.04381	0.6
249.03922	0.6
253.05046	0.4
254.05884	0.5
255.02936	0.8
265.05075	0.7
267.06531	1.2
269.04636	0.8
270.05014	0.5
275.05640	0.8
279.05096	0.6
281.04581	1.0
282.05203	0.5
283.06070	1.5
285.03973	1.2
293.04596	1.0
295.06113	1.0
297.04022	3.8
298.04810	4.0
299.05597	9.5
300.06061	1.3
309.04095	2.1
310.04697	2.1
311.05588	8.1
312.06345	3.6
313.07144	5.5
314.07504	0.7
323.05615	1.5
324.02536	0.8
325.03619	1.3
325.07162	1.2
327.05054	10.4
328.05420	1.1
330.03699	0.6
337.03577	0.9
338.04318	1.5
339.05063	14.6
340.05386	1.9
341.06638	4.3
343.04611	1.2
347.07755	0.6
351.05103	1.7
353.06708	3.5
355.04431	2.2
357.06067	3.8
365.08942	0.6
367.04532	9.0
367.08801	0.7
368.04959	1.1
369.06131	13.4
370.06537	1.3
371.07724	1.5
379.04672	0.9
381.06104	1.5
383.07959	0.5
385.05627	14.1
385.10587	0.8
386.05966	1.0
397.05667	7.2
398.05786	1.0
399.07138	3.5
400.07214	0.9
407.09778	1.0
409.05630	0.6
411.07175	0.9
415.06689	11.6
416.06967	1.3
417.08188	4.1
427.06693	0.7
429.08258	1.2
433.07773	1.6
441.08212	1.1
445.07800	1.0
453.08395	0.9
457.07755	4.2
458.08243	0.9
459.09369	6.6
460.09457	0.7
471.09363	0.6
473.86023	0.5
475.08801	100.0
476.09064	11.4
543.11420	6.1
544.11377	1.4
561.12378	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	561.1247
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03751	0.6
54.11780	0.6
56.63396	0.6
59.01250	6.9
69.53710	0.6
71.01246	4.6
71.30453	1.2
73.02818	2.1
79.01762	1.2
79.13148	0.7
80.96413	1.1
83.01247	1.2
85.02818	1.1
87.00755	3.4
89.02312	1.8
96.95883	0.6
98.61899	0.7
101.02309	1.4
108.24158	0.6
109.02850	4.3
113.02332	1.0
115.00248	5.6
119.04912	0.6
121.02834	1.1
123.04411	0.9
133.02837	16.9
134.03635	1.3
135.04410	2.4
136.01585	1.0
139.03928	0.6
147.04388	0.9
149.02350	1.8
151.03908	1.8
159.04311	0.6
161.02333	1.7
161.04446	0.8
163.00313	1.0
163.03951	1.2
165.01808	1.3
173.02327	0.9
173.05901	1.0
174.03004	0.8
175.02396	9.0
175.03935	5.8
177.01846	3.9
177.05534	1.4
187.03929	0.9
189.01903	0.9
191.03424	1.9
199.04021	1.2
201.01862	2.9
203.03456	2.6
205.01396	1.8
207.02919	0.9
213.05383	1.5
215.03481	0.8
217.04965	1.4
219.02957	1.0
225.05383	0.8
226.06192	1.0
227.03389	0.8
229.05020	0.9
231.03001	0.7
233.04541	1.1
239.07074	1.0
241.05063	0.7
251.06366	0.7
252.04318	1.0
253.05138	1.1
255.06590	1.0
257.04230	0.7
265.05017	1.5
266.05508	1.0
267.06543	1.7
269.04535	1.3
281.04465	1.6
281.08051	1.1
282.05243	0.9
283.06094	2.4
284.03253	0.8
284.06918	0.7
285.04108	2.0
293.04471	3.3
295.06174	3.4
297.04010	4.7
297.07346	1.2
298.04770	8.1
299.05560	8.5
307.06036	0.8
309.03983	2.5
309.07632	2.4
310.04877	3.1
311.05566	11.4
312.06314	8.9
313.07062	8.1
323.05585	3.3
324.06186	0.8
325.03610	1.1
325.07205	2.5
327.05124	11.3
328.05481	1.3
335.05734	0.8
337.03522	1.9
337.07190	1.4
338.04193	1.4
339.05054	20.4
339.09070	1.0
339.12112	1.1
340.05399	2.1
341.06546	6.1
344.05032	1.0
351.04980	1.5
353.06577	4.7
355.04550	3.0
357.05890	4.4
357.13263	0.9
365.06763	1.0
367.04575	10.8
367.08749	1.0
369.06113	22.8
370.06570	2.3
371.07922	1.3
379.04504	1.2
381.06061	3.6
383.03598	0.9
385.05640	16.0
386.06070	1.0
393.06021	0.9
395.07507	0.9
397.05563	6.9
399.07077	12.0
399.11493	0.9
400.07468	2.3
411.07199	2.1
415.06689	15.0
416.07013	1.9
417.08231	1.8
423.06848	0.9
427.07010	1.5
429.08075	1.9
439.07016	1.0
441.08463	2.0
453.08179	0.9
457.07501	7.0
458.08163	1.9
459.09323	25.1
460.09705	3.5
471.09476	2.9
475.08798	100.0
476.09116	13.0
543.11029	3.1
554.28912	1.0
561.12842	9.6
562.13599	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.1246
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	0.7
60.93521	0.2
67.68170	0.3
71.01249	0.6
73.02782	0.4
79.01752	0.5
83.01248	0.4
89.02343	0.3
91.05342	0.3
93.03358	0.3
95.01271	0.4
97.02827	0.3
97.48167	0.2
99.00826	0.3
107.01259	0.4
109.02849	3.0
117.03371	0.3
119.04921	0.3
121.02842	0.8
123.04382	0.4
124.81998	0.3
130.65421	0.3
132.02037	0.3
133.02840	12.1
134.03563	1.2
135.04422	2.2
137.02361	0.4
145.02823	0.6
147.04439	0.6
149.02342	1.0
149.05975	0.6
151.03908	0.8
159.04370	0.4
161.02344	1.4
161.05962	0.5
163.00276	0.3
163.03883	0.8
165.01772	0.7
173.02296	0.5
174.03146	0.4
175.03928	4.1
177.01852	3.4
177.05519	1.0
178.02313	0.4
179.03455	0.6
185.02208	0.4
187.03963	0.4
189.01915	0.9
189.05511	0.6
191.03430	1.0
193.01282	0.3
199.03928	0.4
201.01881	1.9
203.03487	1.9
205.01401	1.7
205.04897	0.7
207.02850	0.7
211.03906	0.3
213.01903	0.4
213.05423	0.9
214.02724	0.3
215.03400	0.7
217.04903	0.3
219.02963	0.9
221.04424	0.4
224.04724	0.3
225.05507	0.7
226.06270	0.3
227.03403	0.5
231.03038	0.6
233.04489	0.6
235.02475	0.5
237.05750	0.4
238.06198	0.3
239.07129	0.7
241.05028	0.8
242.02400	0.3
243.02887	0.6
245.04408	0.3
249.03992	0.8
249.86086	0.3
251.07083	0.4
252.04187	0.3
253.05009	0.6
254.05928	0.4
255.03008	0.7
255.06552	0.8
257.04575	0.4
261.03900	0.6
265.05096	1.1
266.05667	0.6
267.06616	1.1
269.04575	1.2
270.05099	0.3
279.05164	0.6
280.03812	0.4
281.04391	0.8
281.07877	0.3
282.05185	0.9
283.06052	1.7
284.06760	0.6
285.04025	1.1
293.04587	0.8
295.06049	0.8
297.04062	3.9
298.04785	5.3
299.05524	5.8
300.06113	0.4
307.06042	0.4
309.04028	1.6
309.07428	0.4
310.04810	2.1
311.05606	8.3
312.06357	5.9
313.07150	6.6
314.07483	0.5
323.05710	1.4
324.02710	0.5
325.03455	1.0
325.07233	1.4
327.05051	6.4
328.05353	0.8
335.05527	0.3
337.03485	0.8
337.07211	0.7
338.04102	1.3
339.05060	15.2
339.11859	0.5
340.05368	1.4
341.06555	4.5
342.07339	0.4
344.05304	1.2
349.07162	0.5
351.05035	1.1
353.06552	2.9
355.04529	1.6
357.06177	2.2
363.04675	0.4
367.04535	7.0
367.07996	0.4
368.04797	0.7
369.06137	19.0
370.06525	1.7
371.07861	1.3
379.04614	0.8
381.06076	2.7
383.07764	0.4
385.05630	16.9
386.05930	1.6
392.44995	0.3
397.05591	5.3
398.05978	1.1
399.07193	12.1
400.02805	0.3
400.07385	1.7
409.05487	0.4
411.07068	1.4
415.06680	13.4
416.07007	1.5
417.08261	0.4
427.01471	0.3
427.06931	0.8
429.08105	0.6
439.06790	0.9
441.08209	3.9
453.08115	0.3
457.07751	8.9
458.08212	1.9
459.09286	22.3
460.09570	2.6
471.09277	1.5
475.08789	100.0
476.09143	12.8
525.09796	0.4
543.11383	1.7
561.11890	5.5
562.12939	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.1247
Annotation	Unknow
Peak:m/z	Relative Intensity
58.39575	2.3
59.01243	7.2
60.54600	2.3
62.82917	2.6
63.02966	2.3
69.24579	24.6
71.01244	8.8
73.02802	2.7
85.02833	3.4
87.00749	2.5
96.69494	2.6
98.20551	6.3
109.02846	13.8
113.02287	2.9
121.02874	2.8
133.02835	41.0
134.03622	3.4
135.04376	4.4
137.02379	3.7
149.02415	4.4
149.05951	3.2
161.02309	5.2
163.03900	4.9
165.01907	3.1
175.02524	3.1
175.03896	10.3
177.01816	11.8
177.05304	3.6
178.02328	2.6
189.01904	4.7
189.05351	3.4
191.03519	4.7
199.04025	3.7
201.01854	7.5
203.03403	6.9
205.01382	5.3
205.05098	3.4
207.02898	3.4
217.05064	5.5
225.05492	2.9
229.04982	2.9
231.02991	4.7
233.04350	2.9
239.06909	3.1
241.04817	3.2
245.04370	5.6
247.05927	4.8
253.04956	6.4
255.03003	3.9
255.06505	3.8
259.06052	3.9
262.26590	2.9
265.05038	5.3
267.06683	4.3
269.04620	4.6
275.05560	13.0
281.04602	3.2
283.06024	7.6
285.04068	9.1
293.04535	5.9
295.06042	7.9
297.03931	19.1
298.04773	20.6
299.05594	35.3
300.05823	4.5
305.06802	6.1
309.03955	9.1
309.07452	3.6
310.04688	7.3
311.05530	28.4
312.06320	16.5
313.03772	2.9
313.07050	14.2
317.06583	9.9
323.05591	9.6
324.02713	3.1
325.03525	5.6
325.07227	5.0
326.04013	3.8
327.05078	67.1
328.05316	6.8
329.06293	3.6
330.03830	3.4
337.03433	6.2
337.07062	5.9
338.04175	6.9
338.35873	2.8
339.05060	55.8
340.05359	5.3
341.06531	13.4
343.04602	7.0
347.07510	7.1
351.05084	8.4
353.06631	12.4
355.04474	10.0
357.06122	33.1
365.08627	10.7
367.04541	40.0
367.08502	4.0
368.04785	3.6
369.06140	48.0
370.06647	4.2
371.07541	3.6
381.06216	13.5
382.06360	3.1
383.07742	4.6
385.05600	24.8
397.05511	20.2
399.07266	23.9
400.07306	3.1
407.09698	9.8
409.05322	6.7
411.06918	5.6
415.06555	14.1
417.08182	44.7
418.08932	4.8
427.06613	4.0
429.08319	9.1
433.07565	15.4
434.08105	3.8
441.08548	4.5
445.07678	12.0
453.08255	12.8
457.07385	33.2
458.08261	5.3
459.09326	37.0
460.09793	5.0
471.09262	29.7
472.09882	3.1
475.08826	100.0
476.09192	14.8
487.08774	9.3
489.10120	3.9
499.08624	20.4
501.10205	6.1
515.11975	9.5
517.10425	5.8
525.10425	6.2
543.11383	72.4
544.11920	13.4
561.12408	73.0
561.21118	3.5
562.12708	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	561.1249
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01157	1.5
59.01408	0.8
69.72340	4.0
69.72628	1.2
71.01155	1.5
71.75163	0.7
74.25468	0.6
77.03726	2.1
77.04145	0.9
78.68440	0.7
79.01647	2.0
79.02044	0.8
85.02739	1.3
86.68439	0.7
89.02247	1.3
93.03209	1.1
93.18328	0.7
105.03228	0.8
106.97822	0.8
109.02702	1.8
111.71593	0.7
117.03210	1.0
119.04816	0.9
121.02689	2.2
133.02850	9.8
134.03447	1.1
135.04254	1.9
143.04796	1.8
145.02875	3.5
146.54553	0.7
149.02145	0.9
161.02280	1.3
163.03802	1.5
165.01700	2.4
175.03790	3.0
177.01686	2.5
180.05608	0.9
181.06351	2.1
189.01836	1.3
189.05386	1.3
191.03375	1.3
195.07988	1.2
201.01746	2.0
203.03287	2.2
205.01353	1.4
207.02719	1.1
221.06157	0.8
223.07576	5.6
231.02797	1.4
238.06236	1.7
239.06934	2.1
249.03868	0.8
253.05063	5.0
265.05002	6.8
266.05865	3.8
267.06607	54.6
268.07004	4.9
275.05423	1.2
277.04980	2.6
279.06610	4.9
280.06918	1.0
281.04843	1.3
281.08078	3.9
283.06003	2.2
291.06696	0.9
293.04730	1.6
293.08054	1.1
295.06097	100.0
296.06381	8.4
297.04050	4.4
298.04776	8.6
299.05551	7.2
300.05704	1.1
307.06125	9.2
308.06525	0.9
309.04141	2.0
309.07703	2.0
310.04565	0.8
311.05569	6.1
312.06412	5.7
313.03787	0.9
313.06970	4.1
317.06720	1.5
323.05615	3.0
325.03503	1.1
325.07147	25.6
326.07547	3.1
327.05060	12.1
328.05334	0.8
329.06778	1.6
330.03735	1.0
337.03647	1.1
337.07224	7.7
339.05109	13.4
340.05374	1.7
341.06635	2.9
343.04669	1.3
347.07721	1.2
349.07196	1.0
353.06647	1.9
355.04565	4.3
357.05991	5.5
358.06909	1.0
360.19122	0.8
361.07034	0.8
365.08807	1.4
365.34637	0.7
367.04581	6.4
367.08395	2.3
368.04962	1.2
369.06076	14.1
370.06595	1.7
379.08603	3.5
381.06317	2.2
385.05548	6.4
397.05563	5.9
398.05844	0.9
399.07236	7.4
407.09885	1.7
409.05392	1.3
411.07138	1.6
415.06549	4.2
417.08240	7.2
427.06927	2.1
429.08435	3.9
433.07950	2.8
445.08084	1.5
453.08496	2.8
457.07330	5.7
458.08902	2.2
459.09290	6.0
460.10208	1.1
471.09354	5.6
475.08804	38.1
476.09174	5.3
483.09381	0.9
487.08234	3.6
495.88504	0.8
501.10498	1.9
517.10297	1.0
543.11243	10.6
544.12360	2.0
561.16498	55.4
562.16913	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	559.312
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21783	0.3
57.03312	1.5
59.01249	9.5
61.11655	0.3
61.98693	0.8
70.41518	0.7
70.41882	0.6
71.01252	6.5
72.99196	0.6
73.02828	1.1
83.01276	1.0
85.02823	1.8
86.21412	0.3
87.00755	0.8
88.98701	0.5
89.01439	0.3
89.02309	6.4
91.03874	0.4
93.03368	0.3
95.01263	0.6
95.04862	0.4
99.00819	0.3
101.02321	8.0
107.04878	0.5
109.06448	0.4
111.00790	0.9
111.08083	0.6
113.02322	3.2
119.03397	1.6
125.02323	0.3
125.09624	0.9
127.77833	0.4
131.03445	0.4
131.42384	0.4
141.01825	0.3
141.09155	0.6
143.03403	0.5
161.04471	2.3
163.11200	0.5
165.12747	4.2
179.05499	1.0
181.12271	1.2
183.13870	0.6
191.14377	0.4
193.12268	0.9
209.11862	0.4
217.15947	1.0
235.08104	0.5
244.98793	0.3
245.18961	0.4
247.20663	2.0
249.14911	0.5
253.09250	26.8
254.06908	0.3
254.09612	1.3
256.36661	0.3
263.19995	0.4
273.18597	2.7
291.19656	51.6
292.19998	5.4
307.19205	0.5
308.19983	1.7
323.22244	100.0
324.22577	11.3
335.88821	0.3
369.23462	0.3
504.05734	0.4
527.28180	0.7
559.31451	2.1
560.31549	0.4
578.85663	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.3119
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85290	0.2
57.03306	0.5
59.00956	0.5
59.01245	7.7
61.98683	0.6
66.09683	0.3
69.03311	0.5
70.24753	0.9
71.01251	5.7
71.75749	0.3
72.99167	0.4
73.02818	0.9
78.95782	0.4
79.29761	0.3
81.57246	0.3
81.87309	0.3
83.01265	0.4
85.02793	1.9
87.00752	0.8
88.98689	0.8
89.02307	5.1
91.03867	0.3
93.72356	0.3
95.01281	0.6
95.04864	0.3
96.95884	0.3
97.02806	0.5
97.06469	0.5
99.00750	0.7
101.02315	5.6
103.77420	0.3
107.04916	0.4
110.03664	0.3
111.08000	0.4
113.02336	2.3
113.09584	0.3
119.03389	1.5
123.08044	0.6
125.09571	1.9
127.07561	0.5
134.04626	0.7
141.43716	0.3
143.03381	0.6
146.04590	0.7
161.04428	2.4
163.11203	1.4
165.09088	0.9
165.12750	2.5
172.80583	0.3
179.05516	0.7
181.12270	1.2
183.13715	0.3
191.14375	0.4
193.12283	0.7
197.11754	1.1
209.11749	0.4
217.15887	0.6
221.11772	0.9
235.08069	0.4
239.12900	1.5
247.20593	1.5
253.09247	23.1
254.09677	1.1
273.18610	1.2
291.19650	30.2
292.19958	2.6
305.21054	0.4
307.19171	0.4
308.19888	2.3
323.22241	100.0
324.22568	10.4
362.29150	0.3
427.25241	1.0
527.29034	0.3
559.31226	1.8
560.31897	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.1458
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80704	1.4
56.35453	1.4
57.03302	6.5
58.27319	1.3
59.01246	83.9
59.83565	1.3
61.98704	11.8
69.03313	2.0
69.45537	12.5
71.01250	33.9
72.99160	5.2
73.02814	19.1
75.00726	6.1
78.95757	8.4
79.95613	7.5
80.96386	7.9
83.01231	6.1
85.02821	18.3
86.03144	1.9
87.00746	9.8
87.04388	3.2
89.02313	22.5
93.03309	4.4
94.97921	2.5
95.01238	4.1
95.04902	1.8
95.85766	1.4
96.95869	5.7
96.96800	2.6
97.02812	2.9
97.06437	1.6
99.00739	2.2
101.02314	22.7
109.06450	1.5
113.02325	16.6
115.03856	2.1
117.03343	5.7
119.03381	7.8
119.04897	7.1
123.00636	1.8
125.02345	3.6
131.01059	1.7
131.03362	3.3
133.02818	4.2
134.03563	1.6
143.03346	3.4
145.02859	4.9
147.04477	2.3
148.98837	1.9
149.02325	5.2
150.02957	1.9
151.00220	1.6
152.99503	9.5
154.99731	2.4
159.04350	2.7
161.02356	7.5
161.04427	7.7
163.00293	2.7
163.03917	9.5
164.04654	2.1
165.01839	2.6
171.10152	2.2
173.04497	14.7
175.00243	3.3
175.02475	2.3
175.03899	6.3
177.01862	3.5
179.05527	5.3
183.13841	2.0
189.01852	2.7
191.03386	3.0
194.61995	1.5
201.01888	2.4
202.99767	3.3
203.03387	6.0
207.02882	2.2
211.13313	13.7
217.01364	1.8
219.02824	1.6
223.05901	2.0
223.07834	1.9
225.00618	3.1
233.04451	4.4
235.07629	4.4
237.05447	2.1
241.01164	4.6
247.05879	2.6
251.06871	2.4
252.07732	1.6
253.04787	1.6
253.09187	2.5
263.07129	2.7
265.05005	3.4
266.05719	2.9
267.06641	19.6
268.03586	1.7
268.06943	2.2
269.04486	23.9
270.04895	3.8
275.05603	14.6
279.06528	13.9
279.15656	2.0
280.07132	2.3
281.04510	14.5
281.08057	10.7
282.05249	3.4
283.06009	4.5
285.04056	1.6
287.16541	6.8
291.06573	6.8
292.03680	1.8
293.04611	26.4
293.08066	4.3
294.05179	5.4
295.02777	3.2
295.06085	30.6
296.06488	4.6
297.04074	7.7
301.03140	1.4
303.06625	2.6
305.06818	5.2
305.17477	5.5
306.05145	3.2
307.06088	11.3
309.04413	1.9
309.07565	7.6
310.04752	5.8
311.05670	8.8
312.06277	4.4
319.06097	4.3
321.03925	9.8
321.07578	8.3
323.05658	7.7
325.07101	6.6
327.05298	1.9
333.07620	2.9
335.05594	23.7
337.07098	12.8
347.05457	5.5
349.07205	8.3
351.08960	1.8
353.06625	9.4
365.06546	14.3
367.08136	14.5
368.08478	1.8
377.06549	2.7
379.08289	3.2
383.07410	1.8
395.07480	23.8
396.08105	2.4
397.09512	6.1
411.11050	2.2
413.10397	2.5
415.10294	2.4
439.09943	2.3
443.09900	10.2
445.08063	2.1
455.03662	2.6
455.09857	39.6
456.10083	4.7
457.11371	10.9
458.11761	1.8
467.09689	2.2
469.11157	6.0
473.10785	4.3
474.10602	1.6
485.11026	10.6
487.12433	26.2
488.12747	2.2
499.29233	6.5
515.11877	18.0
516.12390	3.1
517.30060	2.2
541.13770	12.9
541.26025	2.3
559.14453	100.0
559.21326	6.5
560.14703	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	558.2809
Annotation	Unknow
Peak:m/z	Relative Intensity
65.85395	0.6
67.32416	0.6
69.22635	5.4
78.95770	30.1
121.99976	0.9
140.01067	5.7
150.51900	0.6
152.99449	3.9
167.12309	0.6
176.84555	0.6
195.16206	0.7
196.02058	1.2
196.03723	13.6
196.09804	0.6
214.04810	1.9
232.42186	0.6
274.34885	0.7
279.23267	100.0
280.23602	9.7
476.27789	58.5
476.37680	1.0
477.28064	7.4
558.27148	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.1457
Annotation	Cassiaoccidentalin A
Peak:m/z	Relative Intensity
55.01757	1.4
57.03310	4.1
58.00473	1.5
58.74089	1.3
59.01247	99.9
60.01586	2.0
61.98705	26.3
69.53989	9.3
70.54128	1.4
71.01253	40.1
72.99162	2.5
73.02816	16.6
75.00758	3.3
78.95768	2.7
79.01742	1.7
80.96400	1.6
81.03316	2.0
83.01254	4.9
83.04893	1.9
85.02822	14.6
87.00733	8.1
89.02312	26.1
93.03338	5.3
95.01263	3.5
97.06464	2.3
98.20588	2.6
99.00754	3.1
99.04413	2.2
101.02322	25.2
102.09239	1.4
109.02814	1.5
109.06480	3.4
111.00793	3.2
111.04472	1.9
111.08085	1.5
113.02321	16.3
115.00227	3.3
117.03343	20.4
119.03402	12.6
119.04939	2.3
121.02853	3.6
123.08017	1.6
125.02349	2.9
125.09567	1.8
128.03377	2.3
131.01271	2.6
133.02831	2.5
135.04387	2.6
135.07951	2.0
137.02278	1.9
137.09608	1.3
139.00151	1.3
143.03387	5.0
145.02773	1.8
149.02344	5.3
154.99805	1.4
159.04346	2.6
159.08101	2.4
161.02348	8.8
161.04453	11.2
163.00221	2.9
163.03911	3.1
164.04695	2.4
171.10162	7.7
173.02364	5.5
173.04489	17.1
175.00262	8.0
175.02354	4.8
175.03880	2.3
177.01927	1.7
179.03336	1.7
179.05545	7.5
189.01874	2.1
189.05516	2.1
190.77698	1.5
191.03497	1.9
191.14211	1.5
201.01860	2.4
201.05383	1.6
207.02864	3.2
207.10193	4.4
223.05957	3.7
225.11250	1.8
230.39507	1.4
233.04492	8.0
251.03427	2.2
251.16525	1.7
253.05153	3.3
253.09230	18.2
261.14951	2.9
265.05075	1.6
267.06705	5.0
269.04510	37.3
270.04803	4.5
277.17929	2.6
279.06577	2.3
279.16010	12.5
281.04553	18.9
281.07953	3.9
282.05246	3.4
283.06064	21.6
287.16501	38.1
288.16849	3.2
291.06714	2.5
293.04559	98.2
294.04813	9.1
295.06149	15.1
297.04367	1.8
297.07678	5.9
301.03516	3.0
305.17563	33.0
306.17819	1.7
307.06110	4.5
309.04059	3.1
309.07513	3.0
311.05609	35.1
312.05991	3.8
314.04330	2.7
321.04019	23.1
321.07687	1.9
322.04602	2.2
323.05615	6.8
325.07224	5.1
328.06000	1.6
335.05594	1.9
337.07190	8.7
339.05154	1.7
341.06546	1.9
343.04785	1.7
351.04999	5.2
351.08762	4.4
353.06592	17.0
365.06583	1.7
367.08209	4.3
369.06259	6.5
377.06799	1.9
378.43515	1.5
383.07822	7.4
395.07700	100.0
396.08148	11.7
397.11047	5.4
399.07294	2.5
415.09967	1.9
439.10126	2.2
455.09860	3.9
456.10318	1.8
457.11392	33.8
458.11636	4.6
461.20331	2.5
471.09314	2.5
473.10745	20.9
474.11557	2.2
499.29089	8.4
515.11835	1.7
517.30005	3.3
541.13367	2.4
541.26465	11.7
558.33630	2.5
559.14551	87.5
559.29651	6.3
560.14709	13.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.3204
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98702	100.0
62.98394	0.5
68.29080	0.3
68.32082	0.4
70.65488	0.6
76.37601	0.3
78.39338	0.4
78.95773	0.6
88.05521	0.3
110.70970	0.4
152.99519	0.8
157.91518	0.4
179.25024	0.3
252.62769	0.4
255.23322	2.1
256.23724	1.0
295.57407	0.4
480.31058	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.3247
Annotation	Unknow
Peak:m/z	Relative Intensity
68.21085	23.7
70.26349	100.0
77.03341	24.7
91.01881	28.1
111.12285	22.8
116.40983	21.7
236.06740	29.7
344.75256	26.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.1853
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	100.0
60.01587	1.2
61.98699	2.6
68.02412	2.3
69.03330	1.4
71.01249	20.7
71.50132	1.1
72.01573	0.6
72.99175	1.4
73.02817	23.1
74.49812	0.6
75.00727	1.0
78.95768	0.9
83.01257	8.4
85.02835	2.6
89.02306	5.3
95.01264	1.3
95.15055	0.6
99.00769	0.6
99.04436	0.7
101.02319	28.8
105.12418	0.5
106.33410	0.6
113.02327	10.2
113.03082	0.8
113.41257	0.5
117.01533	0.6
118.74394	0.6
119.03391	2.3
122.55401	0.5
125.02312	1.3
126.99433	4.0
131.03456	2.8
143.03435	2.4
149.04466	4.6
155.03407	1.5
161.04453	7.0
203.05602	1.4
221.06573	1.1
227.12737	0.7
253.09204	0.6
270.10199	0.6
305.17642	1.2
325.23874	0.8
337.23801	1.0
355.25067	2.2
499.29025	1.4
517.30255	1.3
558.30005	1.0
559.31476	10.3
576.65619	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.1857
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06021	0.6
57.03330	0.7
59.01249	77.3
60.01576	1.0
61.98693	3.7
68.02409	4.2
71.01250	15.1
71.04910	0.6
71.50228	0.9
72.99184	0.7
73.02819	15.1
73.95413	0.6
78.95779	0.6
81.02064	0.5
83.01250	4.2
83.04943	0.7
85.02838	3.3
86.59282	0.6
87.00739	0.9
89.02313	4.3
95.01265	0.9
101.02319	16.4
113.02315	6.2
119.03419	1.5
125.02334	1.1
126.99453	100.0
127.99815	3.5
131.03381	1.1
143.03395	1.7
147.02847	0.7
149.04456	1.6
161.04471	4.6
166.09763	10.0
169.12149	0.8
207.10094	0.8
221.06712	0.9
222.85042	0.6
253.09386	1.4
279.19821	0.9
287.16531	1.1
305.17474	1.9
450.09808	0.6
525.61328	0.7
535.33215	0.7
557.29852	1.0
558.30737	0.9
559.30896	2.0
563.77258	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.281
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11263	0.3
58.88581	0.4
59.01251	0.4
59.27962	0.4
61.98689	0.4
62.00035	0.4
67.89826	0.4
75.23759	0.4
76.73827	0.4
78.87590	0.4
78.95771	10.0
87.76295	0.3
104.75343	0.4
122.00031	0.4
140.01112	2.3
140.78453	0.4
150.58760	0.4
152.99487	1.4
158.51732	0.3
196.03716	2.4
196.33026	0.4
214.04822	3.3
219.26755	0.4
219.43582	0.4
230.05038	0.4
261.22214	0.7
279.23270	100.0
280.23611	11.8
331.74796	0.4
476.27798	27.4
477.28189	4.1
558.27081	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	557.3204
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49533	0.1
59.01250	0.3
61.98698	100.0
62.98406	0.1
69.32095	0.7
78.95773	0.9
84.20409	0.1
90.74173	0.1
97.83574	0.1
152.99519	0.2
165.34769	0.1
194.49605	0.1
195.21002	0.1
206.27568	0.1
224.06978	0.2
255.23286	1.7
256.23572	1.0
257.23904	0.5
258.24200	0.3
333.94525	0.1
409.23480	0.2
480.30966	1.1
481.31525	0.3
482.31848	0.4
483.31760	1.0
557.32172	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.2726
Annotation	Unknow
Peak:m/z	Relative Intensity
58.90767	0.6
59.01251	0.8
59.34192	0.4
60.59379	0.4
61.98687	1.9
71.50090	0.9
78.95770	65.9
96.96837	13.9
111.29054	0.5
126.94515	0.5
150.97961	0.8
152.99487	61.4
153.99818	1.6
171.00560	0.8
185.62932	0.6
223.00050	2.4
241.01143	31.1
241.21681	74.9
242.01469	1.3
242.22012	6.7
264.58081	0.6
277.21725	1.7
287.22180	0.7
315.04886	10.8
377.20987	5.4
384.38550	0.6
545.13190	0.6
557.27252	100.0
558.27612	16.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.2736
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43191	0.5
57.03306	2.4
59.01247	23.9
60.01570	0.6
60.33218	0.6
61.98693	5.0
66.94830	0.7
69.03310	0.8
71.01244	6.0
71.50304	0.6
72.99165	0.9
73.02824	4.6
75.00741	0.9
78.95769	30.2
80.96391	0.8
83.04903	0.9
85.02835	2.8
87.00742	2.5
87.04372	0.6
89.02315	3.7
95.44958	0.5
96.96826	2.7
97.06466	1.7
99.08039	4.9
100.28500	0.6
101.02314	3.8
113.02309	2.7
116.92716	1.8
119.03387	1.1
120.99547	0.7
125.09575	1.7
126.99460	0.8
127.11152	2.5
133.02841	4.7
135.04276	0.6
139.11183	1.0
152.99487	40.0
153.99844	1.2
155.14238	1.3
161.02350	1.1
161.04419	0.7
163.00250	1.7
165.12747	1.3
167.14282	1.1
171.00571	3.9
171.10162	5.6
175.02374	0.9
183.13835	6.2
185.11732	0.8
190.99730	0.9
193.12207	1.8
199.13321	1.0
209.11749	1.9
211.13336	36.8
212.13591	2.6
216.00494	0.9
227.03206	3.2
229.14403	20.7
230.14648	1.5
245.04222	1.7
253.05089	1.1
255.02750	1.2
269.04520	1.1
285.03934	2.2
287.24915	0.6
293.21155	1.5
297.04041	18.8
298.04584	4.8
307.05902	0.6
308.02972	0.7
309.04071	2.8
311.05731	0.6
311.22275	1.2
323.05435	0.7
324.02603	2.8
325.03528	23.9
326.03821	3.2
329.23325	36.4
330.23706	4.2
330.70752	0.6
335.22250	2.1
337.03461	2.1
353.02988	26.0
354.03421	3.4
354.07175	1.0
355.08011	1.3
365.06516	1.4
367.04175	0.8
383.07523	2.4
393.06223	3.3
410.06296	1.4
411.07233	9.3
412.07355	1.8
453.08292	0.9
455.09665	0.7
465.22495	1.8
483.09290	0.9
497.27774	1.0
515.28619	1.4
520.62799	0.7
539.11523	0.9
557.13623	30.9
557.27173	100.0
558.13812	7.0
558.27399	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	557.2284
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02843	15.6
59.01246	44.6
61.15594	3.0
61.98710	25.9
71.01257	28.6
73.02812	7.9
74.02345	32.2
80.96380	14.2
82.02872	4.5
85.02810	10.2
86.02357	17.4
87.00737	6.8
87.05504	8.9
89.02301	14.6
95.04823	3.4
96.95896	4.8
98.20579	11.1
99.05503	32.4
101.02323	11.1
101.07108	4.7
109.03946	6.3
110.00568	6.1
111.00729	3.8
111.08076	3.2
112.03873	4.8
113.02325	10.4
115.91929	3.6
116.92749	10.3
119.03418	3.3
125.03455	5.7
127.05069	4.6
128.03427	85.4
131.03412	3.7
133.02859	4.0
135.04379	9.3
135.05524	11.1
135.68393	3.3
137.07129	3.9
143.04524	100.0
146.04501	10.5
150.03098	5.7
153.06604	4.3
159.70146	4.2
160.63800	3.9
161.02333	8.3
166.09694	4.3
167.08145	6.1
170.03246	4.2
175.02525	4.6
179.03212	4.3
179.04590	26.9
185.05756	4.8
210.08841	23.4
227.90068	4.4
247.02058	3.9
254.07814	52.2
262.11057	4.2
266.11996	4.4
272.08905	93.1
273.09189	10.2
275.05576	4.8
283.06006	4.3
284.13269	18.2
295.06064	4.7
311.05652	3.9
339.05118	4.0
428.18781	10.3
539.21741	8.7
557.13287	11.3
557.22723	85.5
558.23212	11.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42932	0.6
56.63913	0.5
59.01252	1.7
61.98703	0.7
69.18048	6.0
71.01252	0.6
81.88337	0.5
89.02300	0.5
93.03330	5.4
95.01266	0.7
95.04900	0.8
98.20584	1.1
108.02057	2.5
109.02840	6.9
117.03333	0.7
119.04939	0.7
121.02841	23.7
122.03629	18.3
123.04429	5.8
124.01534	1.6
129.03355	1.4
132.02065	3.8
133.02852	15.8
134.03639	11.3
134.89590	0.6
135.04449	3.0
136.01541	1.4
136.05145	1.1
137.02333	2.4
139.03995	0.8
145.02853	8.2
146.03642	4.1
147.04411	13.9
148.04930	0.9
149.02344	32.9
149.05975	14.9
150.03127	70.7
151.03459	3.0
154.02580	2.6
160.05211	0.9
161.02325	2.0
161.06023	5.8
162.03163	3.0
162.06812	0.6
163.03931	1.1
164.04707	8.9
165.05476	83.1
166.05855	4.1
168.04074	0.5
175.07487	0.6
177.05513	3.9
178.06256	1.3
179.07039	11.8
180.04233	3.0
180.07430	0.7
181.05005	0.8
191.07042	0.9
195.06544	24.9
196.06908	1.4
206.10867	0.6
209.08063	0.9
223.09674	0.7
225.05405	0.6
241.08667	0.6
244.37875	0.5
247.42517	0.5
255.06369	0.6
270.08859	1.0
283.09668	0.8
285.11264	0.6
297.11307	1.4
298.11810	0.8
299.12726	0.6
306.07516	1.7
313.10895	1.3
313.14371	0.8
315.12445	2.3
317.13739	0.7
327.12396	0.7
329.13980	4.8
330.14563	0.7
332.33286	0.5
346.14203	6.5
347.14969	11.6
348.15234	1.4
359.14825	1.1
360.15561	0.8
361.16544	56.1
362.16782	6.1
375.18021	0.8
415.17630	8.0
416.17865	1.2
463.17590	1.4
509.21762	100.0
510.22089	19.6
510.29678	1.3
521.21777	8.4
522.22150	1.9
539.22833	6.8
540.23004	1.3
557.24036	6.7
558.24152	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	555.3532
Annotation	Unknow
Peak:m/z	Relative Intensity
58.74962	0.7
59.01248	100.0
60.01589	1.2
62.12597	0.6
70.79897	1.3
78.98425	0.5
80.96385	2.3
89.50061	0.6
133.14464	0.7
198.11879	0.5
240.95973	0.7
268.13470	0.6
277.21735	2.8
532.73712	0.7
547.44141	0.7
555.28290	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	557.13
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	8.7
61.63912	0.8
61.98701	2.6
64.16280	0.8
69.18848	1.2
69.19250	8.5
71.01244	3.3
73.02826	1.4
74.60551	0.9
75.00729	0.9
75.48330	0.8
80.96393	0.8
85.02825	1.6
87.00735	1.0
89.02305	2.2
93.03318	2.3
95.01260	1.4
95.04945	0.8
97.02817	1.4
101.02338	2.4
106.32615	0.8
109.02848	1.0
113.02311	1.2
114.11334	0.9
117.03321	4.8
118.03793	0.9
119.04919	1.7
121.02821	1.5
123.04346	1.1
125.02333	2.2
131.03418	1.0
133.02872	2.0
137.02348	1.7
138.52707	0.8
147.04401	1.4
149.02318	1.8
161.02341	2.9
163.00299	0.9
163.03854	0.9
165.01855	2.4
175.03906	1.5
177.05327	0.9
179.03439	1.3
189.05492	1.9
201.05553	1.2
203.03407	2.2
203.07053	2.1
205.01357	0.8
205.05009	1.5
207.03009	0.9
217.04965	1.5
219.06578	1.4
229.05099	1.2
231.06567	2.6
233.01007	1.1
233.04482	6.1
235.02501	1.2
237.05565	1.1
245.04573	2.7
247.06029	7.6
254.05774	0.9
257.04688	1.2
259.06100	3.2
268.03738	1.2
269.04578	4.0
275.05591	58.2
276.05914	5.3
277.07556	1.2
281.04568	6.9
282.05231	1.9
283.06131	13.0
285.04214	1.1
287.05652	5.7
288.05994	1.0
289.07224	2.3
293.04575	1.0
295.05988	4.8
297.04083	2.1
299.05585	2.3
304.41687	1.0
305.06647	28.6
306.07010	2.6
307.06100	1.1
309.04156	2.7
310.04797	1.2
311.05573	15.1
312.06143	1.2
314.04404	2.0
317.06650	10.1
321.04202	1.1
323.05630	6.1
329.06662	1.3
337.03537	1.8
337.07291	1.4
339.05014	1.8
340.05353	0.9
341.06570	5.7
343.04651	2.4
347.07587	4.7
348.08191	1.0
349.07507	1.3
351.05103	3.6
365.06656	1.4
367.04477	1.8
377.08737	1.7
381.06064	1.2
393.10110	1.6
395.10040	24.6
396.09854	2.9
409.09250	1.4
429.08182	1.1
431.09811	2.5
437.08820	11.5
438.09787	1.6
457.06946	1.2
463.08868	2.6
467.09906	4.3
512.36469	1.1
539.08936	3.4
557.13025	100.0
558.13257	17.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.284
Annotation	Chaetoglobosin M
Peak:m/z	Relative Intensity
57.50625	0.5
59.01234	0.6
63.96110	0.9
67.56317	0.4
69.03319	0.7
71.01254	5.5
71.30669	0.8
73.02808	1.6
78.98457	5.3
79.95599	8.7
79.96038	0.7
80.96387	58.4
81.03322	0.8
85.02810	2.2
87.00729	2.9
88.25280	0.5
92.23620	0.4
92.67710	0.5
94.97960	14.3
96.95864	1.0
97.02818	1.3
101.02312	3.1
106.97962	2.8
122.97499	5.2
125.02314	3.9
134.97491	3.8
136.99017	1.4
143.03424	0.5
148.99037	4.6
152.98543	7.7
159.50465	0.5
164.98532	11.2
167.00084	0.5
175.99554	0.5
180.29240	0.5
182.99664	2.5
190.20488	0.6
206.99644	3.0
225.00702	17.5
226.01083	0.5
243.01784	1.9
255.23232	3.2
258.35910	0.4
299.04355	2.6
391.93311	0.5
466.29303	0.5
555.28387	100.0
556.28778	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	555.2843
Annotation	Chaetoglobosin M
Peak:m/z	Relative Intensity
53.52936	4.0
70.53220	10.6
71.01238	5.2
71.72060	3.7
78.98489	4.3
79.95592	4.3
80.96393	47.8
91.79041	3.9
94.97958	14.3
106.97926	4.0
134.79362	3.0
134.97440	4.0
148.99091	6.3
152.98541	4.7
162.00883	3.6
163.89293	3.3
164.98573	17.3
225.00667	20.8
276.62607	4.0
299.04254	6.2
449.09378	4.2
555.28394	100.0
556.28699	17.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.3305
Annotation	Unknow
Peak:m/z	Relative Intensity
56.03175	21.9
69.67187	42.6
69.67597	100.0
87.55106	23.4
95.52416	22.8
289.22079	24.1
317.23572	22.2
319.46478	23.3
545.14355	26.6
555.28516	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	555.2579
Annotation	Roridin E acetate
Peak:m/z	Relative Intensity
54.89304	0.5
56.69297	0.5
57.03316	1.2
58.34082	0.5
59.00964	0.9
59.01249	14.6
60.92358	0.5
61.98705	4.4
71.01244	4.4
71.04889	0.7
71.50510	1.0
73.02811	1.7
78.51031	0.6
78.95774	33.8
80.02531	1.6
80.96397	0.7
81.03316	2.1
83.01247	1.3
83.04898	4.8
84.02045	1.1
84.41680	0.7
85.02818	1.7
87.00737	2.2
87.01259	0.7
89.02308	1.5
95.04962	0.7
96.95898	3.0
96.96837	2.6
97.06447	1.1
97.30670	0.6
99.00729	0.6
101.02300	3.5
109.06473	0.8
113.02308	1.4
122.03624	0.7
125.02391	1.0
125.09627	1.3
127.07519	1.2
129.09102	3.3
135.07953	0.8
137.09610	1.0
139.07596	0.8
141.09076	3.5
143.04486	0.6
146.17453	0.7
149.09583	0.7
152.99484	41.5
155.10678	0.8
155.76205	0.6
161.04465	1.0
163.11142	3.8
165.12793	2.9
171.00609	4.9
171.10179	1.1
175.02306	1.1
179.07210	0.7
185.11768	14.1
186.12088	0.7
187.09685	1.1
191.10699	1.4
197.11758	15.5
209.11760	48.4
210.12105	3.5
211.13385	1.4
227.03242	3.1
227.12843	2.4
245.04265	1.4
247.20663	0.7
281.08347	0.8
291.19586	3.5
309.20676	2.7
327.21753	18.3
328.22067	1.9
337.07269	1.5
367.07956	0.9
455.16864	2.0
463.20978	2.5
464.86630	0.6
481.22095	1.0
529.13385	2.3
555.25684	100.0
556.25940	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	555.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
70.84910	0.9
70.85252	0.6
73.69270	0.4
78.95769	0.5
93.03333	3.1
108.02048	0.5
109.02843	0.5
119.04948	0.6
121.02839	5.7
122.03635	13.2
123.00762	0.6
123.04448	1.2
124.01620	0.9
130.08640	2.3
133.02841	3.3
134.03625	1.3
135.04422	1.7
136.01581	1.7
137.02361	0.6
137.05963	0.6
146.03560	0.5
147.04417	4.6
148.05179	1.2
149.02347	20.5
149.06003	1.3
150.03131	96.4
151.03455	4.9
158.03632	2.2
159.04428	3.5
160.05212	9.7
161.05949	3.3
162.03166	0.6
163.03926	2.8
164.04703	7.2
165.05484	100.0
166.05826	5.1
173.06018	2.1
175.07553	7.5
176.04675	1.2
176.07945	0.5
177.01976	0.6
177.05522	2.8
178.06261	2.3
179.06963	1.0
180.04218	5.9
181.05049	2.1
193.08629	1.2
195.06564	65.5
196.06920	3.6
219.06624	0.6
267.06448	0.4
270.08948	0.6
285.11136	0.7
315.12134	0.9
329.13931	27.9
330.14340	2.6
341.13763	0.5
373.19504	0.6
383.15176	0.8
447.18057	1.5
459.18051	0.7
470.54114	0.5
477.19147	21.1
478.19547	3.3
492.66855	0.5
507.19540	2.7
525.21338	6.4
526.21356	0.9
555.25348	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	555.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
70.84910	0.9
70.85252	0.6
73.69270	0.4
78.95769	0.5
93.03333	3.1
108.02048	0.5
109.02843	0.5
119.04948	0.6
121.02839	5.7
122.03635	13.2
123.00762	0.6
123.04448	1.2
124.01620	0.9
130.08640	2.3
133.02841	3.3
134.03625	1.3
135.04422	1.7
136.01581	1.7
137.02361	0.6
137.05963	0.6
146.03560	0.5
147.04417	4.6
148.05179	1.2
149.02347	20.5
149.06003	1.3
150.03131	96.4
151.03455	4.9
158.03632	2.2
159.04428	3.5
160.05212	9.7
161.05949	3.3
162.03166	0.6
163.03926	2.8
164.04703	7.2
165.05484	100.0
166.05826	5.1
173.06018	2.1
175.07553	7.5
176.04675	1.2
176.07945	0.5
177.01976	0.6
177.05522	2.8
178.06261	2.3
179.06963	1.0
180.04218	5.9
181.05049	2.1
193.08629	1.2
195.06564	65.5
196.06920	3.6
219.06624	0.6
267.06448	0.4
270.08948	0.6
285.11136	0.7
315.12134	0.9
329.13931	27.9
330.14340	2.6
341.13763	0.5
373.19504	0.6
383.15176	0.8
447.18057	1.5
459.18051	0.7
470.54114	0.5
477.19147	21.1
478.19547	3.3
492.66855	0.5
507.19540	2.7
525.21338	6.4
526.21356	0.9
555.25348	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	554.3457
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	21.0
61.14191	0.4
69.20786	0.6
69.21041	2.0
69.21454	2.3
78.95773	14.4
99.81473	0.5
116.65067	0.4
149.68410	0.4
152.99500	3.2
168.04231	3.2
224.06871	6.7
232.29292	0.5
241.63060	0.4
242.08011	1.5
255.23257	100.0
256.23590	8.8
480.30936	54.2
481.31189	8.5
554.27045	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.346
Annotation	Unknow
Peak:m/z	Relative Intensity
54.78026	0.3
59.01249	17.8
61.98693	0.5
68.68490	0.3
71.51477	0.7
78.81281	0.3
78.95768	5.3
80.96403	1.0
121.97105	0.4
152.99474	1.3
167.80829	0.4
168.04237	1.5
178.27936	0.4
216.18774	0.4
224.06937	0.8
242.07913	2.2
255.23265	100.0
256.23605	9.4
344.06738	0.3
480.30930	28.1
481.31192	4.6
554.27319	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	555.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
69.21042	4.2
69.21462	3.2
71.41797	0.8
79.28789	0.7
80.91898	0.6
85.24462	0.8
91.05403	0.7
93.03325	1.7
95.01254	0.8
104.22749	0.7
105.03378	1.0
108.02046	0.9
109.02874	1.8
113.05867	0.8
114.96156	0.7
121.02848	7.7
122.03632	8.6
123.00735	1.5
123.04436	1.1
131.04922	1.2
132.02072	2.6
133.02859	9.4
134.03647	3.9
135.04395	2.1
136.01546	2.1
137.02292	1.9
146.03604	2.3
147.03325	1.2
147.04420	15.4
148.05168	3.1
149.02339	24.2
149.06012	4.4
150.03127	72.3
151.03580	3.5
158.03658	5.2
159.04434	4.8
160.05222	15.3
161.05983	6.9
162.03136	1.3
163.03862	4.2
164.04668	12.3
165.05478	48.6
166.05821	1.7
173.05983	5.6
175.03975	1.0
175.07565	15.3
176.04683	5.8
176.07877	0.8
177.05498	11.2
178.06277	5.7
179.06985	2.8
180.04210	3.0
181.04936	1.1
191.07072	2.4
192.07857	1.8
193.08572	1.8
195.06560	23.3
196.06863	1.5
222.85118	0.7
241.08707	0.9
255.06706	0.8
270.08932	2.0
284.10623	1.3
285.11346	2.0
297.11359	2.3
301.05069	0.9
314.11679	1.0
315.12302	1.8
329.13943	33.5
330.14136	3.7
372.15530	0.9
432.15784	2.4
447.18246	4.3
459.18002	3.1
477.19162	100.0
478.19461	19.7
489.19067	1.7
507.20450	3.8
525.21375	12.4
526.21442	2.0
555.22913	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.3012
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	0.4
61.98715	1.8
63.56460	0.4
69.94793	0.4
70.00185	1.6
71.01253	0.8
78.95776	23.9
78.98469	0.6
79.95621	1.0
80.96383	7.5
82.95973	0.6
87.00745	0.3
94.97965	1.5
98.20616	0.5
109.58900	0.4
115.60562	0.4
118.63740	0.4
122.98319	0.5
148.99002	0.5
152.98471	0.6
152.99506	2.6
164.98528	0.9
168.04208	4.0
180.86148	0.4
194.05850	0.5
199.71765	0.4
224.06879	8.1
225.00696	1.6
225.02750	0.4
242.07896	2.3
279.23273	100.0
280.23615	9.4
401.70929	0.4
418.85312	0.4
504.30948	64.5
505.31259	10.3
554.27100	12.4
555.26605	2.1
573.02509	0.3
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
59.01248	1.4
61.98690	0.6
69.32177	2.5
71.01250	0.9
78.95774	6.0
80.96375	0.7
89.02313	0.7
94.97914	0.3
98.19847	0.7
125.09605	1.0
152.99500	0.8
168.04185	1.4
169.79387	0.3
187.09711	0.5
224.06807	0.7
242.07916	2.8
279.23282	100.0
280.23621	9.8
291.19629	1.0
292.20044	1.0
309.20676	2.8
310.21027	3.1
311.22171	0.4
440.83426	0.3
477.87131	0.3
504.30960	30.8
505.31216	4.6
554.27081	1.3
554.34399	0.4
555.26666	0.4
555.35406	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.2214
Annotation	Unknow
Peak:m/z	Relative Intensity
58.42832	1.2
59.01247	2.7
61.98701	100.0
70.77711	2.7
72.99168	3.6
75.00743	3.7
78.95774	1.2
82.95293	1.8
87.00724	2.3
87.19879	1.4
88.63136	1.4
96.95934	1.6
99.00756	4.7
113.62844	1.2
115.00263	5.0
118.89911	1.1
135.02921	2.3
135.04434	1.7
138.03091	1.2
143.99031	3.9
163.11050	1.6
174.01624	21.4
175.02367	4.2
198.97137	1.8
201.99620	3.2
231.10007	9.6
233.11635	1.9
258.99454	22.4
273.22025	1.5
285.22263	1.6
289.21820	1.7
299.20209	2.0
315.19543	1.7
317.21008	16.8
319.22720	1.6
329.21097	4.7
331.22552	2.2
333.20801	6.7
341.20831	3.0
345.20471	8.4
347.22162	6.7
351.21774	3.0
355.19019	2.2
357.20416	3.7
363.21509	1.9
367.18646	1.7
369.20392	5.3
373.19989	8.3
380.19885	3.6
383.18085	2.6
385.19934	10.8
387.21844	1.5
389.23389	2.4
391.21127	5.3
395.18430	7.1
396.18463	1.6
399.21393	3.1
403.21252	5.5
409.19830	1.5
411.21274	1.4
413.19321	13.2
415.21130	5.9
425.19409	3.1
429.22357	1.6
431.20593	8.8
433.22235	12.3
434.22867	2.7
436.19443	5.9
437.19370	1.5
451.23471	6.8
455.20493	5.5
473.21530	19.2
474.21713	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	553.2685
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	3.0
61.98689	0.5
63.96104	0.9
69.03326	0.6
71.01250	7.2
73.02810	1.8
78.95765	0.8
78.98454	5.5
79.95603	9.3
79.96044	0.7
80.96383	66.7
81.03333	1.1
85.02818	2.6
87.00743	2.3
88.02032	0.3
94.97954	16.1
96.95882	1.4
97.02799	2.0
97.35213	0.3
99.00763	0.6
101.02325	2.2
106.97952	3.1
113.02341	0.5
122.97464	3.2
125.02329	3.3
126.02654	0.4
127.03900	0.4
134.97462	4.9
136.99011	1.4
143.03435	0.4
148.99043	5.4
152.98534	5.7
163.70042	0.3
164.98523	10.7
167.00113	0.5
198.84309	0.3
206.99661	1.9
225.00677	14.9
226.00826	0.3
229.57413	0.3
253.21591	2.2
254.21991	0.4
255.23254	14.1
299.04355	3.8
395.31952	0.3
480.30927	5.8
496.80118	0.4
553.26819	100.0
554.27106	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	553.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00460	2.2
59.01245	15.3
61.98698	4.8
71.01215	3.1
71.49380	2.8
73.02819	30.7
73.73373	1.5
83.04903	2.4
85.02776	1.8
88.98536	1.7
89.02332	1.7
101.02277	4.1
113.02316	5.6
119.03384	2.6
121.02805	3.5
129.01843	1.4
130.08601	3.4
135.04352	1.9
149.02362	9.2
150.03151	14.3
151.03896	2.7
161.05980	1.9
164.04604	2.7
165.05467	15.8
177.05507	3.0
195.06564	6.4
213.12764	6.5
221.31468	1.8
227.10814	2.6
243.13879	3.7
243.17490	8.6
245.15367	3.4
253.12370	1.9
257.11771	6.2
258.12018	2.0
269.15436	5.9
271.13440	3.0
287.16553	5.2
299.12894	1.7
301.18018	5.8
311.12775	2.9
313.14499	5.4
317.90491	1.6
331.15491	100.0
332.15878	9.0
345.17010	30.2
346.17325	5.7
348.94241	1.6
367.15463	2.2
373.16525	54.1
374.16873	6.6
383.99844	1.6
394.86575	2.1
403.17624	1.6
452.52249	1.7
475.17279	2.0
505.18723	19.9
506.18967	2.8
553.39996	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	553.2654
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	100.0
60.01580	1.4
61.98696	3.1
62.25068	0.8
63.79645	1.1
69.50809	4.2
69.51221	2.6
71.01245	1.4
75.00753	8.4
78.95775	1.5
86.08846	0.9
93.03322	1.6
96.95892	6.9
108.02021	1.1
109.59227	0.8
111.74178	0.9
119.04958	1.0
122.03625	1.1
123.04435	1.0
123.93534	0.9
130.08656	6.3
136.01534	2.1
149.02301	2.8
150.03117	6.9
151.03851	1.7
160.05182	1.1
163.03893	1.9
164.04698	1.0
165.05463	7.4
175.03908	1.5
175.07486	1.2
177.05411	1.8
179.07004	1.7
181.05002	1.7
188.04733	2.4
195.06551	4.8
203.07053	3.4
205.04936	1.7
311.09253	2.2
327.12250	2.3
331.19122	7.6
357.13416	1.1
372.19180	2.1
423.00467	1.1
475.17447	2.8
487.17578	1.7
493.24435	12.0
494.24823	2.2
505.18796	4.7
517.18359	1.2
553.20422	10.5
553.26666	0.7
554.24768	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	553.2668
Annotation	Unknow
Peak:m/z	Relative Intensity
53.69553	1.0
53.95923	0.9
59.01257	5.0
61.98686	1.4
66.03351	1.6
69.23767	5.1
69.24188	2.9
72.00773	3.6
74.02346	3.6
75.00759	1.0
82.06492	1.0
91.36692	1.0
93.03331	10.7
106.04140	1.5
107.04915	1.6
108.01947	0.9
112.03933	1.3
119.04929	10.0
123.04422	1.3
123.05505	2.2
130.08633	100.0
131.08966	2.7
135.04431	1.0
137.02284	0.9
146.03624	1.9
146.06010	1.4
147.04384	2.7
150.03137	1.3
150.04263	2.5
151.03912	1.7
163.03902	6.2
164.04706	1.7
164.07076	4.5
179.07048	1.8
180.04187	2.0
180.06587	24.4
181.04849	1.7
181.06873	1.1
181.13348	6.6
182.13548	0.9
195.06580	1.4
196.06836	1.1
201.49899	0.8
225.12343	2.9
241.09865	1.3
301.10785	2.2
313.10822	1.5
325.10718	1.8
343.11813	1.0
372.19287	46.5
373.19638	5.6
517.07941	1.0
553.26685	47.8
554.26971	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	553.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	27.1
61.98701	4.1
67.01774	1.5
68.83145	1.5
68.99670	4.1
69.78244	4.2
69.78632	3.1
89.04279	1.5
93.03338	4.2
98.19867	1.6
101.02325	1.9
105.03333	1.3
108.02052	16.9
109.02841	4.5
119.04850	2.1
121.02844	16.8
122.03626	17.9
123.00822	6.9
123.04410	11.9
132.02074	2.0
133.02908	2.4
134.03650	12.9
135.04434	12.0
136.01569	14.5
137.02339	29.5
138.03152	7.6
139.03915	2.2
145.02875	3.1
145.17676	1.4
146.03642	39.4
147.04254	5.9
149.02344	30.7
149.05972	7.5
150.03128	53.1
151.03922	18.3
153.05533	1.6
154.02623	3.1
159.04451	1.8
160.01552	1.9
160.05202	2.9
161.02341	5.1
161.04657	2.3
161.05983	14.3
162.03133	27.7
162.06258	1.6
163.03925	11.3
164.04688	32.0
165.01831	1.6
165.05486	47.4
166.05853	3.0
173.06012	2.7
174.03246	1.7
175.03917	5.8
175.07559	4.6
176.04532	1.8
177.05496	39.1
178.02638	16.0
178.05821	2.3
179.03400	2.1
179.07053	74.6
180.04120	3.2
180.07385	3.8
185.05862	3.9
189.05496	3.4
190.06255	5.2
193.04994	20.0
193.08563	4.1
195.04698	2.4
195.06544	23.7
196.07014	1.7
197.05994	17.5
198.06352	1.9
210.06668	1.5
213.05489	14.7
219.06644	1.8
223.03873	2.5
224.04660	4.6
225.05518	91.4
226.06177	21.0
227.06937	4.7
237.07645	16.9
240.04141	2.8
240.07861	68.9
241.05023	32.7
241.08438	7.9
242.05389	3.9
243.06505	4.3
243.17166	1.8
249.65073	1.4
255.06581	4.4
256.07394	33.9
257.07770	3.1
258.08911	2.2
270.08716	2.0
271.09753	100.0
272.10092	10.1
273.11292	8.5
274.11560	2.0
286.08536	1.7
288.10162	2.6
299.09467	3.7
301.10797	23.8
303.12363	95.0
304.12744	8.9
311.09259	2.7
323.08975	1.8
327.12454	3.6
328.09323	1.9
329.13922	2.0
343.11783	19.7
344.12082	2.0
344.72119	1.6
355.12024	2.3
357.13470	11.2
373.12903	5.0
381.13144	2.5
449.19336	1.9
460.05447	1.5
475.17450	5.0
493.18616	5.3
505.18655	51.2
506.19247	9.0
512.29425	1.7
517.18799	2.1
523.19733	27.1
524.19843	4.9
535.19110	1.5
553.20532	19.6
553.39471	4.7
554.21130	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	553.208
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98704	0.6
69.12325	0.7
75.73269	0.6
78.95752	0.8
85.46648	0.7
93.03345	4.9
95.01266	0.9
95.04920	0.9
108.02051	1.9
109.02814	1.7
119.04940	1.2
121.02843	10.9
122.03632	12.0
123.00730	0.8
123.04388	2.8
130.08604	6.5
132.02037	1.0
133.02821	2.0
134.03616	1.1
135.04416	3.1
136.01559	5.0
136.05154	0.8
137.02348	1.7
145.02838	1.5
146.03645	5.8
147.04387	1.9
148.01553	1.3
149.02345	58.7
150.03131	88.8
151.03700	5.0
159.04369	1.3
161.05998	2.3
162.03018	0.8
163.03923	8.7
164.04695	25.4
165.05481	87.5
166.05838	4.8
175.03932	3.1
176.04669	1.5
177.05487	5.7
178.06250	1.7
179.07053	8.7
180.04219	7.9
181.04855	1.7
190.06297	1.5
192.04219	2.9
192.07903	1.3
195.06557	45.4
196.06891	3.2
204.04317	1.1
207.06537	9.2
208.03629	0.6
209.06091	0.7
210.05276	1.3
211.07451	1.0
219.06520	3.5
220.07364	1.0
222.05219	1.3
223.07799	0.8
224.06842	1.9
236.26770	0.7
237.05455	1.5
237.07509	5.0
239.07092	1.8
240.04208	5.5
241.08568	1.1
249.09262	2.1
251.07007	1.4
253.05008	1.4
255.06609	1.2
263.07156	1.1
265.05151	0.7
265.08582	1.7
266.05905	0.9
267.06650	3.2
267.10028	3.4
268.07233	1.0
269.08200	2.8
270.08847	0.9
276.07733	0.8
277.08719	4.9
278.05930	1.1
278.09555	0.9
279.06638	2.7
280.07324	1.6
281.08081	2.6
282.08902	1.1
283.06253	1.8
283.09668	1.1
291.10199	0.8
293.08154	1.9
294.08951	3.0
295.06091	9.6
295.09735	7.1
296.06763	1.4
296.10416	1.8
297.07742	6.5
298.08423	6.9
300.09863	0.8
307.09830	1.0
308.10388	1.3
309.07666	8.9
309.11331	3.5
310.08340	6.2
311.09003	2.3
312.10010	5.8
313.10779	13.5
314.11163	1.5
323.09262	1.5
324.10010	5.2
325.07190	1.3
325.10782	11.3
326.11121	1.9
327.08746	1.4
327.12363	14.9
328.12787	1.7
339.12357	17.7
340.12711	1.8
343.11847	5.9
344.12170	1.1
372.19357	2.7
373.12842	6.1
395.07974	0.8
398.11136	0.7
399.12302	1.2
413.13916	1.7
427.11734	2.0
429.13193	1.2
431.14996	4.8
442.14417	3.7
443.14792	1.6
445.17209	1.0
457.16876	5.3
458.16745	1.1
459.14233	3.5
460.15054	3.4
461.15778	1.5
475.17621	21.4
475.24243	1.5
476.18079	3.3
487.17380	7.5
490.16504	2.2
505.18665	100.0
506.18982	18.7
517.18683	1.0
523.19470	1.9
535.19482	1.9
553.20593	3.0
554.25616	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	553.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
55.75907	0.4
56.26275	0.4
59.05847	0.4
61.76901	0.5
64.36269	0.5
70.91414	1.3
93.03355	3.7
96.95920	0.4
108.02084	0.6
119.04922	0.6
121.02829	4.8
122.03639	12.1
123.04353	0.8
130.08627	3.8
133.02853	1.6
134.03679	0.5
135.04430	0.9
136.01559	1.7
137.02310	0.8
147.04358	0.6
149.02348	20.0
150.03130	83.7
151.03479	3.7
159.04398	0.5
163.03917	1.6
164.04704	4.6
165.05481	100.0
166.05817	6.4
175.03879	1.4
177.05460	0.7
180.04207	5.7
181.04837	1.1
190.06287	0.6
195.06554	72.3
196.06895	3.9
222.05214	0.8
235.07716	0.5
251.07106	0.6
263.07129	1.0
267.10175	0.5
269.08130	1.3
277.08661	0.6
279.06580	1.2
281.08331	2.3
283.09723	0.6
291.06427	0.7
293.08041	0.9
294.08954	0.7
295.09705	0.8
296.10425	0.8
297.07733	4.6
298.07858	0.5
307.09641	0.4
308.10367	0.8
309.04358	0.8
309.07605	6.8
309.11215	1.7
310.08102	1.1
312.09995	3.6
313.10577	0.5
323.09109	1.6
324.10019	4.9
325.10501	0.8
327.12350	23.5
328.12589	3.2
339.12360	21.6
340.12582	1.8
372.19162	1.5
431.14816	0.7
442.14130	0.5
457.16599	1.0
475.17596	3.9
476.17520	0.7
482.43054	0.5
487.17068	0.7
493.18430	0.7
505.18677	9.3
506.18677	2.1
517.18298	0.5
523.19904	0.5
532.66681	0.5
554.25464	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	552.3305
Annotation	Unknow
Peak:m/z	Relative Intensity
56.81457	0.5
59.00956	1.1
59.01247	16.0
61.98692	0.9
70.79598	2.0
75.39039	0.7
78.95778	7.3
88.86488	0.7
152.99500	1.6
168.04233	1.4
224.06940	1.3
242.07916	2.3
251.39177	0.7
253.21713	100.0
254.22047	8.6
277.21729	8.5
478.29422	26.7
479.29681	2.7
502.29486	6.9
503.29877	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	553.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
58.51148	1.2
59.01237	2.9
61.98693	3.5
64.83767	1.3
67.38435	1.2
70.63330	4.3
78.67090	1.4
99.95002	1.5
108.02049	3.5
130.08609	4.4
136.01556	4.6
149.02344	2.0
150.03081	1.8
151.03903	5.0
159.34688	1.8
160.23105	1.5
165.05530	1.5
184.05165	1.8
186.44104	1.9
187.03862	2.6
195.04385	2.7
202.90294	1.4
207.00658	1.5
211.04027	2.1
212.04713	4.9
213.05455	5.0
225.05501	13.5
226.06166	3.0
227.07130	4.7
240.04271	34.7
240.07840	12.0
241.04935	14.1
241.07402	1.5
241.08359	1.7
255.06595	100.0
256.07199	16.3
270.08954	74.1
271.09692	45.3
272.10013	3.7
301.10812	55.8
302.11197	6.0
323.09000	1.5
333.96844	1.7
335.08994	1.5
366.76535	1.8
485.42932	1.6
517.18561	1.7
553.27582	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	551.3434
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	15.6
60.82706	0.8
71.01258	2.3
71.50861	1.0
72.52357	0.9
73.02813	1.0
85.02856	1.1
89.02319	3.0
101.02311	2.8
104.00878	0.7
113.02348	1.6
161.04417	1.4
184.51062	0.9
216.04767	0.9
235.08185	2.6
253.09262	15.8
255.23251	100.0
256.23618	10.0
345.25101	0.8
373.66562	1.0
397.87842	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.3434
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01844	0.9
57.16157	1.0
58.43647	1.0
59.01247	16.4
70.66335	3.0
71.01247	2.5
73.02796	1.0
78.95797	1.8
89.02316	3.4
101.02297	3.0
119.03442	1.0
152.99513	1.1
161.04486	1.3
167.13933	0.9
179.62587	1.1
179.98044	0.9
188.64056	0.9
194.77805	1.1
235.08188	2.8
253.09248	14.4
255.23259	100.0
256.23587	10.7
269.25104	1.3
402.61542	1.3
439.32043	4.4
469.32886	2.4
550.01312	1.1
551.33374	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	552.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
56.59998	0.9
59.09094	1.0
61.98709	6.1
61.98983	1.2
62.96267	1.6
65.88346	0.9
69.33392	3.6
69.33817	5.3
77.25593	1.1
78.95768	100.0
81.60160	1.1
96.95872	3.8
96.96825	4.6
98.95466	2.3
99.92433	13.4
101.91122	1.0
114.94795	9.1
115.91944	15.2
115.94815	1.2
116.91985	1.0
116.92732	6.0
117.92639	1.0
119.98434	1.2
137.99500	2.1
140.01053	3.9
141.95927	12.7
142.95943	1.4
150.97897	3.4
152.99481	46.6
178.88342	4.0
179.89120	20.1
180.89948	9.7
181.90627	2.9
192.00610	2.1
194.02187	2.2
196.03696	2.0
196.89404	37.9
197.89420	2.0
204.92249	2.3
205.93088	4.3
219.92226	1.3
222.93358	3.9
235.91724	4.6
236.92537	3.0
249.88168	1.1
255.23257	37.3
256.23468	2.5
259.94244	1.1
269.02118	1.2
277.95224	2.6
321.60767	1.2
409.23526	8.3
411.18173	2.3
450.26266	2.4
452.27789	7.9
475.15408	4.3
476.16281	1.7
491.15085	2.2
492.15753	6.9
493.16174	1.8
509.15894	1.8
516.18164	14.8
517.18250	3.2
534.19153	6.7
535.19202	1.5
552.20294	35.8
553.20593	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	551.3076
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17019	0.3
52.22953	0.4
52.81876	0.4
54.67081	0.4
55.01756	1.0
57.03310	1.5
58.00457	0.6
59.01253	37.6
60.01556	0.4
61.98704	0.7
66.19041	0.4
67.26698	0.4
71.01257	14.2
71.04882	0.6
71.06082	1.0
72.01594	0.4
72.99173	1.6
73.02823	15.0
75.00754	0.5
78.02990	0.4
83.01255	1.7
83.04910	0.8
85.02828	6.0
87.00735	1.5
87.04393	0.8
89.02316	8.0
95.01261	0.8
97.06465	1.0
99.00757	1.7
101.02324	11.1
109.06469	0.4
113.02343	5.2
119.03373	3.3
123.08035	0.9
125.09604	1.0
129.01779	0.7
137.09634	0.6
139.07579	0.9
139.11180	0.5
143.03432	0.7
157.08618	0.9
157.12231	1.0
161.04414	1.2
169.12276	0.8
171.10162	1.5
177.12749	0.5
179.05544	2.7
185.11775	0.5
201.11276	5.3
202.39455	0.4
215.12860	2.0
293.21323	0.7
301.20294	1.1
311.22324	1.4
315.21793	0.6
329.23355	3.9
330.23587	0.5
330.46255	0.4
341.23215	0.8
359.24191	1.0
371.24335	4.1
379.19647	0.9
385.17752	0.4
389.25500	8.0
390.25751	1.3
393.21320	0.8
473.27515	1.0
474.27750	0.5
477.27020	2.1
491.28625	2.3
507.27914	1.5
508.27673	0.6
521.30011	0.7
533.29449	3.9
534.30164	0.5
551.30725	100.0
552.31091	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	551.3071
Annotation	Lanceolitol B2
Peak:m/z	Relative Intensity
55.01743	1.0
57.03315	2.6
57.52633	0.6
59.01250	38.7
69.03332	0.8
70.81873	0.6
70.98535	1.1
71.01251	13.5
73.02821	15.4
76.81615	0.6
83.01250	2.6
85.02824	5.1
87.00772	1.8
89.02315	6.8
92.77282	0.6
97.06476	1.9
99.00764	1.6
101.02324	11.8
111.00754	0.7
111.08024	0.7
113.02325	5.8
115.07547	1.5
118.51733	0.6
119.03387	2.3
123.08024	0.7
137.28658	0.6
139.07538	0.8
139.11185	0.8
142.21759	0.7
155.10698	1.2
157.12251	0.8
159.02820	0.9
161.04442	1.5
176.02458	0.7
177.12709	0.8
179.05492	2.6
179.06992	1.5
185.11752	1.1
187.13333	1.3
215.12793	1.8
243.15955	1.8
275.19760	0.7
293.21140	1.5
301.20267	4.4
311.22037	1.2
327.25427	0.8
329.23340	5.3
371.24301	6.2
372.24814	0.9
389.25467	15.8
390.25784	2.3
455.26236	0.8
459.25943	0.8
491.28561	3.9
521.29816	1.1
533.29828	1.3
551.30731	100.0
552.31079	16.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2344
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	4.7
58.08135	1.5
59.01247	17.1
63.96101	4.7
69.03328	4.7
69.55132	1.6
70.37132	3.6
70.40694	1.5
71.01250	14.1
72.99159	3.0
73.02823	5.6
74.98982	1.8
76.00987	1.6
81.03376	1.7
83.01241	2.9
85.02824	10.0
87.00739	17.7
89.02306	5.5
89.30103	1.6
97.02835	3.7
97.06435	2.1
99.00767	6.4
101.02311	7.3
109.02843	2.1
111.08029	5.8
113.02278	2.5
117.01801	2.7
117.97183	3.2
125.02330	9.3
134.03600	10.1
135.98233	5.7
137.02376	2.6
141.01852	2.3
144.81517	1.7
149.05994	2.8
153.01796	2.0
161.03227	3.0
161.04471	38.0
162.03125	2.0
165.12752	76.6
166.13072	4.7
178.02602	2.2
179.05528	56.1
180.05827	2.3
183.13823	92.4
184.14168	7.6
191.10641	2.2
193.05019	12.4
209.11705	10.3
227.12849	48.4
228.13179	3.5
323.93698	1.9
371.17078	100.0
372.17575	11.1
389.18100	41.7
389.25436	4.0
390.18558	4.4
420.44122	1.6
451.86697	1.7
519.15894	3.8
551.17255	8.1
551.30493	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	551.2716
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03310	1.8
59.01248	71.1
61.98685	3.3
70.46971	2.8
71.01249	11.4
72.99173	1.6
73.02811	7.7
83.01224	1.9
85.02831	6.3
87.00735	2.6
88.98656	1.3
89.02306	4.2
96.95914	1.0
97.06444	2.0
97.31786	0.9
99.00727	1.4
101.02313	8.8
107.04925	2.3
113.02309	4.0
119.03425	1.1
119.08346	0.8
123.08034	2.2
125.02383	1.3
125.09630	0.9
130.08615	1.7
135.08018	1.1
139.11153	1.1
143.03404	1.1
157.12224	1.2
161.04472	2.3
169.12292	1.9
170.97220	1.0
174.79034	0.9
179.05513	2.1
185.11714	4.8
213.09129	1.6
215.12849	3.6
227.12686	1.2
243.15919	6.3
293.21179	1.1
311.22263	3.5
312.22672	1.2
327.21530	3.1
327.25375	9.0
328.22064	1.9
328.25595	1.3
329.23312	73.5
330.23679	7.7
347.18582	1.3
371.11322	1.7
371.24286	3.6
372.19281	1.3
389.25461	12.8
390.25934	1.8
405.24731	1.2
447.25809	1.0
489.26898	2.2
491.27963	1.3
507.28030	54.0
508.28476	6.0
533.29645	1.3
551.30670	100.0
552.31116	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	551.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98690	1.6
68.99680	8.8
70.45868	3.6
70.46199	2.7
89.22008	1.5
91.44449	1.5
93.03337	3.3
108.02048	22.8
109.02838	3.9
121.02848	8.8
122.03654	14.3
123.00774	4.4
123.04412	15.2
132.02049	4.3
133.02797	3.0
136.01491	2.3
138.03119	7.2
147.04402	4.6
148.01601	2.7
149.02328	33.4
150.03120	100.0
151.03584	4.9
152.11951	1.6
161.02344	3.2
162.03148	10.3
163.03854	4.0
164.04672	6.7
165.05476	79.8
165.06870	3.9
166.05858	3.5
168.65276	1.6
175.03896	29.2
176.04472	2.6
177.04271	1.7
177.05507	15.0
178.02617	23.6
179.03110	2.3
180.04164	5.3
188.04692	1.8
190.06310	5.3
193.04980	49.4
195.06580	40.5
200.81194	1.6
209.05910	1.9
218.05768	6.3
222.05254	12.4
235.07619	3.8
237.05527	3.9
249.05605	2.9
250.06300	2.3
251.06964	1.9
263.07190	2.7
265.05261	2.2
265.08600	6.0
267.06567	5.6
268.07159	2.2
269.08032	2.7
279.06659	9.1
281.08142	6.3
291.06598	5.1
292.07309	5.0
293.08188	20.2
294.05359	3.8
294.08817	4.7
295.06119	14.9
295.09424	3.0
296.06802	4.1
296.10208	1.8
297.07623	5.7
306.08960	2.2
307.06146	19.8
307.09744	4.2
308.06400	2.4
309.07776	18.0
309.11197	1.9
310.08429	11.8
311.09232	7.2
312.09912	7.3
313.10660	2.0
321.07669	2.6
322.08438	9.3
323.09296	5.3
324.09985	11.4
325.07114	1.8
325.10730	23.4
326.11462	3.1
327.12372	10.7
337.10800	35.1
338.11282	4.7
339.12213	9.1
341.10345	2.0
379.11771	6.9
405.68170	1.6
415.11859	5.0
429.13229	5.5
443.11316	4.0
457.12854	2.6
458.13809	8.2
459.14590	5.6
460.14777	3.0
473.09354	2.1
473.16046	43.9
474.16257	5.1
485.16235	7.8
503.17117	83.2
504.17581	12.1
521.18201	17.9
522.18658	2.5
533.18005	4.1
546.50751	1.7
550.17273	1.8
551.19159	71.4
552.19714	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	551.1934
Annotation	Unknow
Peak:m/z	Relative Intensity
53.65404	0.7
59.01247	2.8
61.98709	2.5
71.01247	1.0
78.95779	1.0
81.03332	1.4
83.01271	1.2
88.00306	1.1
88.98681	3.6
89.02320	10.4
93.03337	3.3
95.01293	1.3
95.55174	0.9
101.02328	1.1
108.02088	1.2
111.04408	1.1
121.02856	6.8
122.03625	16.7
123.00785	0.9
123.04480	1.4
124.01550	0.8
125.02396	1.4
133.02849	2.4
135.04437	1.5
136.01567	2.2
137.02339	1.3
147.04428	2.1
149.01462	0.5
149.02350	22.3
150.03131	100.0
151.03418	4.5
152.01082	1.0
163.03983	1.3
164.04698	5.2
165.05486	98.0
166.05850	3.8
167.03421	3.1
168.78522	0.8
173.05846	0.8
175.03931	7.3
176.04532	1.1
177.05479	2.3
180.04219	7.2
181.04900	0.9
190.06308	1.8
195.06566	48.0
196.06870	3.2
209.04486	2.8
218.05762	2.5
222.05247	4.2
223.07547	1.4
229.08647	1.3
235.07594	2.2
237.05502	2.2
239.05641	1.3
249.05768	0.9
251.07147	2.3
263.07321	1.4
265.05222	1.1
265.08734	1.0
266.05957	0.9
267.06592	5.7
270.08621	0.7
279.06570	15.0
280.07092	2.3
281.08179	1.0
291.06631	6.8
292.07309	2.8
293.08228	3.3
294.05658	1.3
294.08963	3.3
295.06152	15.1
295.09323	0.6
296.06638	1.9
299.09195	2.6
305.08047	1.3
306.08978	8.1
307.06119	21.7
307.09222	1.1
308.06522	1.7
309.07718	3.2
310.08469	12.2
311.09351	4.0
321.07684	3.1
322.08392	8.8
323.09067	2.9
324.09991	2.6
325.10812	34.4
326.11063	3.7
329.10202	1.1
337.10815	46.8
338.11118	5.6
339.08966	1.4
340.09488	1.5
341.10281	9.8
342.10681	1.7
355.11847	3.6
371.11346	10.1
372.11542	1.1
373.12769	1.1
401.12442	3.3
443.12299	1.2
458.13528	1.4
459.14145	1.1
473.15860	5.6
503.17090	8.3
504.17380	1.6
521.18353	6.0
551.19202	11.0
552.18982	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	551.1771
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06125	0.6
56.04758	0.6
59.01269	0.8
61.98692	0.8
71.29252	1.1
71.29580	0.7
87.00750	1.7
93.03331	1.5
101.02269	0.7
117.26682	0.7
121.02827	3.4
122.03629	5.4
132.02060	6.3
133.02859	1.1
134.03627	32.5
135.03975	1.2
137.02325	3.0
137.97528	0.7
139.03960	1.2
149.02342	12.7
149.05983	8.4
150.03131	51.2
151.03494	2.9
160.01564	30.1
161.01886	1.4
161.04485	3.0
164.04715	2.2
165.05478	52.9
166.05817	3.3
175.03928	31.5
176.04254	2.1
178.02638	11.6
179.03003	0.8
179.05460	1.5
180.04227	2.1
193.04994	100.0
194.05347	5.4
195.06557	56.6
196.06850	3.7
201.27650	0.6
232.26543	0.7
242.13791	0.8
267.11771	0.6
282.08923	0.7
338.67160	0.7
341.10327	4.4
355.10333	32.4
356.10602	3.1
389.12427	8.3
390.12772	1.7
394.96161	0.7
551.17419	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	551.1772
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	0.6
56.72652	0.3
57.03326	0.9
58.00472	0.5
59.01252	17.0
61.98701	1.5
63.96107	0.7
65.00195	0.7
65.03831	3.4
67.01372	0.3
67.01756	1.5
69.03326	0.5
71.01256	7.5
71.04921	0.5
71.50469	0.5
72.99178	1.1
73.02821	4.4
75.00746	0.5
76.18485	0.4
81.03347	0.4
81.05859	0.3
83.01278	1.2
83.35946	0.4
85.02836	3.6
87.00749	1.5
89.02310	3.9
91.01769	23.8
92.02101	1.0
93.03336	0.7
95.01247	0.8
97.02849	0.7
97.06459	0.7
99.00775	1.0
101.02327	4.2
103.03848	0.5
107.01286	0.4
108.02052	1.6
109.02838	26.5
110.03153	1.2
113.02342	2.3
113.16906	0.4
117.97215	2.2
119.03377	1.2
120.99603	0.5
123.08073	0.6
125.02342	0.8
125.09644	0.4
135.00778	78.7
136.01088	2.5
137.02321	2.5
137.13843	0.4
153.01839	100.0
154.02182	4.3
161.04475	1.6
165.12758	1.0
171.10196	1.1
177.01993	0.4
179.05539	1.6
183.13808	3.4
185.11790	1.2
197.06012	0.4
199.07591	0.8
201.11217	0.7
215.12852	0.7
227.12869	2.7
243.06580	4.3
244.06981	0.6
255.55612	0.4
257.17456	0.5
269.17532	0.4
285.20850	0.7
297.06308	0.5
298.03720	1.0
301.20279	1.3
311.21976	0.5
327.21799	0.9
327.25342	0.5
328.22125	0.8
329.23233	5.7
341.10822	0.4
347.24521	0.5
371.24286	2.7
388.24173	0.8
389.25430	6.7
390.25848	0.6
399.13062	0.4
412.66281	0.5
443.11890	3.5
444.12103	0.5
447.25830	2.3
465.26987	1.2
491.28290	0.7
507.28159	11.6
508.28497	1.5
533.29797	0.7
550.29150	2.0
551.23743	2.7
551.30756	40.6
552.23743	0.6
552.31213	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	551.1771
Annotation	Unknow
Peak:m/z	Relative Intensity
63.73005	0.8
67.84692	0.9
70.07771	1.1
71.00384	1.3
71.00730	1.7
80.33743	0.8
85.02837	1.4
87.00754	1.9
93.03343	2.3
121.02843	15.5
122.03629	8.8
132.02068	5.5
133.02818	2.8
134.03633	46.9
135.04343	3.1
136.01544	1.2
137.02318	4.7
139.03937	1.8
149.02354	23.7
149.05988	11.5
150.03133	64.0
151.03542	3.7
160.01570	27.3
160.02859	1.8
161.04408	3.0
164.04721	2.6
165.05479	59.5
166.05840	3.0
175.02528	2.0
175.03926	25.3
176.04362	1.4
178.02631	15.3
179.03226	1.0
179.05498	1.4
180.04172	3.2
193.04993	100.0
194.05327	4.2
195.06558	51.3
196.06892	3.0
215.63928	0.9
221.05994	1.6
224.61211	0.9
234.06709	1.4
239.07028	3.3
250.06361	1.4
254.09439	1.5
267.06537	2.1
282.08966	8.2
341.10263	57.9
342.10599	7.0
355.10336	24.6
356.10379	1.7
371.11432	1.4
389.12415	29.5
390.12790	3.9
551.17535	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	551.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44870	0.4
53.29034	0.4
54.73655	0.4
54.96034	0.4
58.41989	0.4
59.01244	0.4
66.92424	0.4
71.01262	0.5
71.50179	0.6
93.03329	2.2
106.04151	0.7
117.03392	1.0
117.39726	0.4
118.98413	0.5
119.04884	0.7
121.02850	8.5
122.03637	5.0
124.01510	0.6
133.02829	2.0
134.03629	56.4
135.04024	2.0
136.01492	0.7
137.02339	8.8
139.03911	3.0
147.04387	0.6
149.02348	15.1
149.05980	12.8
150.03128	39.6
151.03526	1.9
160.01582	1.0
164.04750	2.6
165.05482	35.7
166.05814	2.1
175.03865	0.6
178.02635	29.0
179.02957	1.4
180.04204	2.3
192.04225	0.7
193.04991	100.0
194.05344	5.8
195.06560	27.9
195.08083	0.6
196.06912	2.0
221.05887	0.5
239.06995	1.4
250.06517	0.9
253.08604	0.6
267.06509	0.6
270.13528	0.5
282.08994	4.2
297.11349	0.5
341.10242	18.5
342.10461	2.6
355.10327	0.7
365.96588	0.5
371.11200	0.5
389.12393	15.7
390.12845	1.3
551.17383	1.2
552.17450	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1773
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32988	0.5
53.23689	0.5
55.01770	0.6
57.03336	2.0
58.00463	0.6
58.11003	0.5
59.01252	16.6
59.01543	1.0
61.98705	2.8
62.92407	0.5
67.01782	0.8
68.99709	0.8
69.03326	4.0
71.01254	11.1
71.50625	0.6
72.99189	2.3
73.02817	5.4
75.00751	10.7
76.83730	0.5
78.95782	0.6
81.03334	11.0
83.01254	8.0
83.04916	0.7
85.02822	5.6
85.03204	0.4
87.00771	1.0
89.02316	3.9
91.05448	0.6
93.03353	2.5
95.01287	3.3
95.04910	6.6
97.02824	7.5
99.00774	0.9
99.04406	3.0
101.02319	6.2
101.12091	0.5
101.56190	0.5
103.03909	1.9
107.01289	1.7
107.04913	2.3
108.02065	6.4
109.02836	5.6
109.06512	1.4
110.20183	0.5
111.00762	1.2
111.04369	2.8
113.02332	4.8
119.03425	1.9
119.04916	3.2
121.02843	3.7
121.06541	0.6
122.03664	1.9
123.00784	1.3
123.04408	10.8
124.04781	0.7
124.07511	0.6
125.02340	17.6
125.03263	0.9
125.05959	0.6
126.02629	0.6
129.01804	0.5
131.04947	1.9
133.06487	0.7
134.03549	0.5
135.00743	3.0
135.04416	3.6
135.07990	0.5
136.05208	0.6
137.02356	8.1
137.05971	3.1
139.03908	6.0
145.06621	0.8
147.04445	2.2
147.08090	1.3
149.02376	1.7
149.05991	3.8
150.03189	2.6
151.00276	1.2
151.03922	3.6
152.01070	7.6
152.99515	0.8
153.01727	1.0
153.05486	1.2
155.03445	1.7
159.04442	0.8
161.04433	0.6
162.03169	1.0
162.05450	0.5
163.03889	3.6
163.06067	1.2
164.04729	1.4
165.01877	2.3
165.05479	4.4
166.02664	1.9
167.03412	25.0
168.03770	1.3
169.06514	0.6
169.54439	0.5
171.08084	1.7
173.05997	11.4
174.06377	0.9
175.03972	1.0
175.07611	1.1
177.01814	1.0
177.05557	1.7
178.02640	0.9
179.03455	3.8
179.05356	0.6
180.04144	1.5
181.04959	2.6
183.08093	1.4
185.09654	1.3
189.05519	0.7
189.09042	0.8
191.03477	1.7
193.04944	1.4
195.06548	0.8
197.04491	6.4
197.06081	0.5
205.01512	0.8
209.02486	1.1
209.04486	22.6
210.04691	0.9
211.07635	1.7
212.08397	0.6
213.09134	7.1
214.09590	0.9
215.07117	1.5
219.02980	1.1
221.04416	1.0
223.06041	0.9
225.09270	1.2
227.10681	2.8
229.08685	4.2
231.10277	0.9
235.06079	0.5
239.05513	11.5
241.08759	0.6
243.06615	3.4
247.08221	1.3
251.10847	0.9
253.08643	1.3
253.12279	0.8
255.06641	1.7
255.10292	2.7
256.07474	0.6
257.08173	10.7
258.08429	1.2
267.10312	1.1
269.06305	0.8
269.08163	4.8
269.11362	0.9
270.08902	1.1
271.09702	1.2
279.10107	0.7
281.08255	1.0
283.09702	3.6
284.10355	0.7
287.09384	1.0
295.09726	1.0
295.22681	1.4
297.07776	0.7
297.11441	0.8
299.09238	21.4
300.09549	2.2
307.10001	0.6
309.07785	1.4
311.09259	10.8
312.09564	1.5
313.23895	6.4
323.09106	1.1
325.10880	3.0
327.25418	1.2
329.10294	9.1
329.23285	1.1
338.07953	1.7
339.08630	0.9
341.10281	100.0
342.10632	11.1
342.14398	1.0
353.10300	6.0
355.11935	1.2
363.15671	0.7
369.10016	0.7
371.11334	92.9
372.11676	11.9
383.11282	2.9
389.25500	0.9
389.99899	0.6
395.11447	1.4
401.12418	31.5
402.12555	3.5
413.12360	12.0
414.12564	1.5
425.12436	1.0
431.07990	0.9
431.13455	10.9
432.13809	1.8
443.13089	11.2
444.13385	1.7
455.13489	0.7
457.28073	0.6
461.14612	11.0
462.14859	1.6
473.14572	4.2
475.29129	12.3
476.29382	1.1
489.30649	1.4
491.15396	1.7
515.15253	0.8
533.16663	1.4
551.17627	8.7
551.30676	44.9
552.18024	1.5
552.31012	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	549.2919
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23860	0.5
57.03310	1.4
59.01250	23.2
61.98690	1.0
66.07712	0.5
69.03346	0.5
71.01257	5.3
71.30516	0.8
73.02805	3.5
83.01265	1.1
85.02795	2.6
87.00767	2.2
87.04404	0.5
89.02319	2.8
95.04961	0.8
97.06482	2.9
101.02339	3.0
113.02338	1.9
113.09650	0.7
113.84568	0.5
114.49017	0.5
116.92719	0.8
119.03410	0.9
121.02842	0.7
123.08049	2.5
125.09644	0.7
127.07602	0.7
139.11185	3.5
152.08229	0.7
155.10699	0.8
157.12257	1.9
161.04469	1.4
167.10625	0.5
171.10178	1.0
179.05508	2.1
185.11755	16.6
186.12152	1.1
214.12053	1.8
215.12724	1.1
220.35114	0.6
243.16039	1.2
289.18060	1.1
291.19659	4.9
307.19208	0.7
309.20685	4.8
325.23804	9.8
326.24207	1.3
327.21765	88.5
328.18506	0.8
328.22092	8.9
369.22812	2.1
387.23849	16.9
388.24194	2.9
463.25415	0.8
489.26849	0.9
505.26337	3.7
517.14392	1.9
531.28070	1.0
549.29144	100.0
550.29510	18.1
550.38031	0.9
576.42346	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2555
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33936	1.1
55.01742	1.8
57.03316	2.0
59.01251	51.2
61.98665	1.1
69.62784	2.5
69.63191	3.7
71.01250	13.9
71.28445	1.0
72.99165	2.0
73.02817	11.2
75.00751	1.2
83.01247	2.9
85.02808	6.5
87.00737	2.8
88.98724	0.9
89.02324	2.6
95.01226	0.9
95.04864	1.0
97.06446	2.3
99.00748	1.2
101.02317	12.9
111.00739	1.3
113.02335	3.8
116.92710	2.2
125.02271	1.3
136.03903	1.6
161.04457	3.7
171.10146	1.5
179.05493	1.4
185.11774	6.2
187.78157	0.9
215.12778	1.4
243.16093	1.2
267.27835	1.0
281.17593	1.1
291.19608	1.6
301.20224	4.5
309.20724	1.8
310.41876	1.0
325.23886	5.0
327.21765	31.5
328.22037	2.1
369.22659	2.4
382.88367	1.1
387.23730	12.4
445.24469	5.5
446.24564	1.1
463.25372	18.1
464.25821	1.8
475.88406	1.2
489.69235	1.1
505.26550	100.0
506.26859	15.0
531.28168	1.2
549.14569	3.1
549.29114	54.6
550.29590	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	549.2915
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	0.6
59.00962	1.1
59.01249	21.2
69.49253	3.3
71.01263	3.1
71.36100	0.6
72.22269	0.6
72.99173	0.9
73.02817	8.6
75.88602	0.6
85.02810	2.0
85.50221	0.6
85.63390	0.6
87.00744	2.2
87.29160	0.5
89.02325	1.5
94.66472	0.5
95.04854	0.6
97.06465	1.6
98.19767	0.7
99.00740	0.8
101.02319	1.4
113.02309	1.6
116.81802	0.5
116.92738	0.9
123.08016	2.0
125.09621	1.0
139.11140	1.7
157.12256	1.8
161.04442	1.8
171.10156	1.3
179.05473	2.2
185.11746	12.9
187.33101	0.5
201.11267	1.3
213.11198	0.6
214.12006	1.3
221.83859	0.7
253.15096	0.6
289.18137	1.0
291.19608	3.8
299.04245	1.0
309.20609	2.9
313.20218	1.6
316.88016	0.7
325.23837	8.5
327.21753	68.1
328.22165	7.1
343.24698	1.2
369.22729	1.9
387.23859	12.7
388.23969	1.4
406.68335	0.7
505.26828	2.9
531.28156	1.3
549.29138	100.0
550.29468	17.3
560.52264	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2553
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	1.5
57.03303	2.4
59.01249	48.6
69.27495	10.8
69.99059	1.2
70.04169	1.1
71.01252	15.5
72.99178	1.6
73.02824	8.8
83.01260	5.2
85.02818	8.2
85.36199	0.9
87.00722	3.0
89.02312	3.1
96.00363	1.0
97.06464	3.3
98.19718	1.8
99.00791	1.4
99.04404	1.4
101.02324	10.4
110.93442	1.1
113.02345	5.3
119.03394	1.2
123.07960	1.1
123.37549	1.0
151.74564	1.0
161.04443	2.9
171.10159	1.2
175.02245	1.1
185.11774	5.0
202.03410	1.1
214.12218	1.2
283.18961	1.7
291.19553	1.4
301.20099	5.8
309.20706	2.1
325.23630	2.8
327.17899	1.3
327.21747	22.8
328.22195	1.7
345.22818	1.2
369.22641	2.4
387.23691	8.7
445.24442	3.8
463.25412	21.6
464.25638	3.0
505.26550	100.0
506.26801	13.0
549.15332	2.4
549.29114	47.7
550.29681	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2552
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07849	0.9
52.70997	0.9
53.84281	0.9
55.01748	1.0
57.03302	2.3
58.00469	5.0
59.01249	100.0
61.98709	4.4
67.01816	0.9
71.01250	80.6
71.12362	1.4
71.12697	1.6
72.01566	1.4
72.99178	8.2
73.02827	5.6
75.00718	1.5
82.10757	0.9
83.01231	4.1
85.02353	1.5
85.02820	18.2
87.00738	5.6
89.02316	88.9
90.02647	1.5
95.01241	5.7
99.00783	2.1
101.02322	48.4
102.02692	0.9
102.58915	0.8
103.20443	1.1
109.14691	0.9
113.02332	34.2
115.00260	2.1
117.56918	0.8
119.03388	43.3
120.03671	1.0
123.73959	0.9
125.02307	1.1
131.03403	4.2
137.09622	1.7
143.03406	7.5
149.04439	3.4
159.02904	1.5
160.64154	0.8
161.04457	15.5
175.02419	1.3
179.05516	19.1
180.05864	1.1
189.12708	1.5
271.09680	2.1
299.10117	1.3
369.19107	2.4
387.20264	9.3
419.69174	1.0
483.38873	1.2
549.16083	4.7
549.25439	62.5
550.17688	1.4
550.25854	9.9
560.49933	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2194
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01753	2.2
56.58498	1.6
57.01624	1.5
57.03310	2.5
59.01253	18.3
61.98697	1.8
65.56657	1.4
68.90095	1.4
68.99687	1.4
69.03345	1.7
70.14304	1.3
71.01250	20.8
71.49013	1.5
71.50336	1.8
73.02815	10.8
73.13509	1.5
75.00746	2.5
77.78513	1.6
83.01264	3.6
85.02831	13.0
87.00745	33.3
89.02312	9.1
95.01311	1.7
95.04891	5.5
97.02828	3.8
99.00758	7.3
101.02325	12.7
101.54194	1.5
107.04843	1.5
111.00735	1.8
113.02326	7.4
115.91946	1.4
117.01835	8.0
119.03384	5.5
125.02328	7.7
129.01830	1.9
141.01773	2.0
141.82123	1.4
159.02927	2.1
161.04454	40.8
162.04735	2.2
163.11218	15.4
177.03963	2.4
179.05527	100.0
179.10706	3.3
180.05833	3.5
181.12254	33.6
184.56786	1.4
207.10255	3.4
225.11278	66.9
226.11624	4.4
298.04767	1.6
327.05011	2.9
339.05161	2.4
369.06000	6.9
369.15503	78.7
370.15897	8.8
387.16580	36.7
387.21362	1.9
388.16885	4.1
399.07230	4.5
421.06915	1.7
429.08414	1.8
459.09525	8.2
459.97964	1.7
476.74173	1.8
489.09808	2.1
532.30414	1.7
549.12683	12.0
549.26038	3.4
550.12366	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	549.1614
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	11.2
61.98704	1.8
71.01240	6.3
81.03365	2.0
85.02826	3.9
87.50062	1.6
89.02299	4.3
91.05405	4.0
93.03336	5.2
100.52462	1.8
101.02296	2.1
107.04906	15.0
111.00788	3.9
113.02306	3.7
116.92716	7.9
119.01251	3.5
119.04915	2.4
121.02858	8.0
123.04412	4.7
125.02394	2.3
128.03444	1.9
133.02815	2.6
134.03638	32.9
135.04408	44.3
136.01566	10.3
137.02316	4.5
146.03648	16.4
147.00781	3.0
147.04437	8.0
148.01524	5.8
149.01210	2.3
149.02345	17.1
149.05907	2.8
150.03152	17.5
151.03925	11.3
152.01021	7.4
153.01892	2.5
153.05440	1.8
161.05980	7.8
162.03134	3.3
163.03920	68.3
164.04692	13.1
165.01877	4.1
165.05469	26.5
166.02631	10.4
169.04979	2.6
173.02396	2.2
175.00287	21.3
176.01070	26.8
177.01790	7.0
177.05484	3.0
179.07042	31.2
180.07420	2.2
181.05005	11.7
189.76833	2.1
190.02637	37.3
191.03430	37.5
192.03923	3.0
193.01326	8.5
194.02118	11.6
205.05023	2.0
207.02917	100.0
208.03696	22.3
209.04494	23.6
223.06076	7.3
264.55261	1.5
274.70230	1.6
303.63956	1.8
315.12442	2.3
325.10645	1.9
343.11969	9.0
357.09698	5.7
369.09818	26.3
370.09140	22.3
371.09439	5.5
387.10556	43.0
387.14777	11.2
388.11151	5.6
411.10696	2.4
549.16254	13.2
549.29095	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	549.1993
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00996	5.3
59.01253	67.2
59.59208	5.4
61.07711	4.5
64.27212	4.7
68.87755	4.1
71.01258	44.6
71.51506	4.2
71.51898	5.4
72.68694	4.1
72.99169	9.4
73.02815	13.8
77.50964	4.3
83.04900	5.4
85.02808	10.4
89.02312	45.9
96.83163	4.3
101.02361	34.5
113.02315	16.9
115.00217	5.7
115.78082	4.6
119.03396	13.7
137.02393	6.5
147.04443	11.7
151.03885	5.6
156.04465	4.7
160.01440	5.6
161.04521	5.2
165.05470	21.7
175.02405	12.4
179.05470	4.6
179.07002	7.2
203.06984	5.5
205.23941	4.8
215.25610	5.0
221.08226	5.3
268.07419	10.2
280.07413	9.4
283.09735	7.0
296.06662	5.7
297.07529	6.3
308.06918	7.1
309.07709	12.9
311.08932	4.9
323.09106	19.8
324.09927	9.2
327.12350	15.1
334.99728	5.2
338.11435	6.6
339.08676	68.4
339.12524	6.6
354.07144	7.1
354.11078	15.5
355.07227	12.9
369.09747	7.2
369.13474	100.0
370.13733	18.6
385.08749	6.3
400.56259	5.2
489.26932	10.0
549.15094	54.6
549.29224	64.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1615
Annotation	Unknow
Peak:m/z	Relative Intensity
56.84874	0.3
59.01246	0.7
69.24075	3.5
77.03845	0.5
85.02780	0.4
87.00735	0.9
89.03839	0.4
91.05422	3.6
93.03349	2.8
93.03829	0.4
94.42305	0.5
95.04900	0.7
96.95892	0.8
105.03334	2.6
106.04147	0.6
107.04905	9.7
108.02063	0.6
108.05209	0.6
111.00789	3.5
117.03315	0.8
119.04918	2.1
121.02818	1.5
123.04417	3.2
133.02859	2.3
134.02077	0.5
134.03635	21.7
135.04419	27.8
136.04784	1.2
137.02353	0.5
146.03610	1.6
147.04385	0.9
148.01523	1.7
149.02367	3.4
149.05962	1.2
150.03088	1.7
152.01054	1.6
161.06030	1.2
162.03186	0.8
163.03918	44.1
164.04382	2.3
165.01874	0.8
165.05441	2.1
169.05040	0.5
179.03435	0.5
179.07034	2.2
181.05017	1.2
191.01849	0.7
193.01355	4.6
194.02046	1.1
202.07446	0.5
207.02922	100.0
208.03514	11.0
209.04401	2.1
253.05145	0.4
274.61676	0.4
280.05096	0.4
296.06943	0.5
297.03992	1.6
297.07086	0.5
312.06384	0.9
315.12354	1.7
327.08759	4.0
328.09000	0.5
343.11523	0.5
345.13251	1.0
357.09790	3.6
369.09689	2.2
370.09656	0.6
387.10791	3.1
437.63727	0.3
446.64856	0.4
448.80420	0.4
462.46964	0.5
489.16779	0.5
549.15350	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1247
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01241	5.6
61.98672	2.3
69.01391	1.6
69.14766	18.1
71.01240	4.4
74.02341	1.6
87.00751	1.8
96.95885	1.9
98.40997	1.7
99.29588	1.7
101.02326	2.2
109.02816	2.2
113.02307	1.7
115.00271	3.9
117.03322	2.1
118.11382	1.8
122.89571	2.0
126.07896	1.4
133.02826	13.9
135.04385	2.9
150.16196	1.9
161.02348	1.8
175.02438	3.5
175.03871	3.8
177.01797	3.6
179.03374	1.9
186.90637	1.9
200.80003	1.9
201.01807	3.2
203.03439	2.1
205.04890	1.9
227.07068	2.9
242.05460	2.0
272.09064	2.0
281.04651	3.0
283.06253	2.7
293.04712	1.8
297.04077	5.5
298.04785	14.7
299.05521	6.8
306.07800	2.4
307.05972	1.8
309.04047	2.5
311.05795	11.9
312.06339	14.6
313.04041	2.3
313.07208	13.8
323.05545	3.0
324.06366	2.1
327.05099	10.1
339.05078	20.5
340.05542	3.2
341.06662	8.6
353.06689	7.0
357.06091	3.2
369.06122	56.1
370.06479	5.8
381.05954	9.0
383.07980	1.6
399.07175	40.4
400.07382	5.3
411.07349	3.6
423.07193	3.1
429.08405	11.7
441.08377	7.3
459.09277	51.4
459.15643	3.1
460.09695	7.5
471.09854	2.6
489.10049	14.7
531.11261	3.1
549.12469	100.0
550.12744	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	549.1039
Annotation	Unknow
Peak:m/z	Relative Intensity
55.35593	0.1
59.01226	0.3
61.98711	0.3
69.98245	0.4
69.98634	0.3
77.03832	1.8
78.34048	0.2
78.91718	0.2
92.99775	0.2
93.03337	0.4
96.95882	0.2
105.09965	0.2
121.02842	100.0
122.03177	3.7
130.52667	0.1
131.21263	0.2
137.02345	0.3
147.04384	0.3
149.42029	0.2
149.56451	0.2
165.01839	51.6
166.02170	3.3
176.22134	0.2
180.05717	0.3
181.06502	2.7
182.06647	0.2
186.22214	0.2
197.06021	2.5
207.04465	1.0
207.08170	0.3
223.03922	0.3
225.05508	1.6
226.05876	0.3
251.07071	0.2
257.09741	0.8
301.08670	0.2
313.07141	1.4
313.17923	0.8
314.07434	0.2
357.06348	0.9
358.06030	0.2
383.07700	0.6
402.87991	0.2
417.09702	2.4
418.10089	0.3
505.11526	1.9
506.11502	0.3
549.10376	25.8
550.10791	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	549.1249
Annotation	Kurilensin B
Peak:m/z	Relative Intensity
57.51721	1.5
59.01242	9.1
61.98700	3.4
65.00224	1.5
71.01244	8.1
71.30132	1.5
73.02827	2.5
79.01768	1.8
85.02804	2.0
87.00741	3.6
87.78503	1.9
89.02290	2.2
99.00716	1.6
101.02323	3.3
109.02837	5.1
110.80793	1.4
115.00245	4.3
122.99645	1.4
130.39662	1.5
133.02850	20.6
135.04398	3.3
137.02335	2.4
149.02397	2.1
161.02287	2.3
161.05875	1.9
163.03859	2.4
171.04277	1.7
175.02455	4.3
175.03931	5.3
177.01813	4.2
179.03476	2.1
179.05513	2.4
189.01770	2.0
191.03465	2.3
201.01891	2.9
203.03455	1.9
205.01395	2.1
209.04572	2.1
245.04517	1.8
267.06589	1.8
283.05939	2.1
284.06976	1.9
285.04160	1.6
289.39377	1.6
297.04037	6.4
298.04816	14.6
299.05496	5.9
309.04037	3.2
310.04733	2.2
311.05643	15.3
312.06378	20.1
313.07117	14.4
314.07605	1.9
323.05481	4.1
327.05127	10.3
339.05057	22.1
340.05145	2.3
341.06625	11.0
342.07367	2.3
351.04907	2.4
353.06561	9.2
357.05905	3.4
369.06110	68.8
370.06381	8.2
371.07773	3.1
381.06049	13.3
382.06714	1.9
399.07181	63.5
400.07526	9.2
411.07074	7.3
413.08740	2.2
423.07187	2.6
429.08383	11.2
430.08691	2.0
441.08383	13.8
459.09320	57.1
460.09579	8.4
471.09689	3.3
489.10355	14.0
490.10324	1.7
531.11206	4.7
544.39734	2.0
549.12500	100.0
550.12903	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	547.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
53.71109	1.3
55.95010	1.2
59.01252	5.4
61.98714	1.3
64.57266	1.2
69.03311	1.6
71.01250	4.9
71.29865	1.2
73.02825	3.5
79.01229	1.0
85.02812	3.9
87.00747	11.7
89.02344	2.5
97.02820	1.8
99.00760	3.4
101.02317	4.6
117.01814	2.4
125.02349	2.4
133.10114	4.1
135.11684	15.4
136.12030	1.5
143.08600	2.9
159.02936	1.5
161.04465	20.3
161.09622	20.4
162.09970	2.5
169.09480	1.2
179.05527	37.9
179.10684	100.0
180.11035	7.0
181.08688	2.3
187.07574	1.5
205.08641	7.9
223.09656	13.9
224.10030	1.3
229.40991	1.2
256.28876	1.2
325.13034	1.8
331.77267	1.5
341.16006	4.9
343.13928	6.1
367.13858	11.8
368.14453	1.5
385.15012	62.2
386.15283	6.3
547.19495	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.312
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01770	0.4
57.03300	0.3
59.00964	0.5
59.01245	7.2
61.98684	0.9
71.01244	4.7
71.50090	0.5
72.99180	0.4
73.02809	0.9
74.34769	0.3
75.00739	0.4
78.91756	1.0
78.95749	0.7
83.01221	0.5
85.02815	1.5
87.00737	0.8
89.02315	4.9
95.01250	0.4
96.95873	0.7
97.02795	0.4
97.06478	0.3
99.00743	0.3
99.08027	0.4
101.02321	6.0
110.54176	0.3
113.02324	2.8
113.09614	0.5
114.94093	0.3
115.07504	0.7
116.30367	0.3
118.02802	0.3
119.03379	1.8
119.41821	0.3
120.60281	0.3
127.07545	0.4
128.08257	0.3
141.09120	0.3
151.04083	0.3
161.04456	1.8
167.14337	2.5
179.05498	1.1
183.13744	1.8
195.13811	8.9
196.14160	1.0
211.13306	1.0
213.14885	1.1
228.64775	0.5
235.08286	0.4
242.15099	1.0
249.22208	0.6
253.09247	23.1
254.09601	0.7
265.21707	0.5
267.23367	0.7
275.19943	0.5
293.21222	7.4
293.24500	0.4
294.21561	0.9
311.22244	100.0
312.22592	11.4
312.25531	0.2
420.27731	0.4
461.93121	0.3
522.25824	0.3
547.31311	4.4
548.31671	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.203
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95045	0.7
55.01755	1.0
57.03321	2.1
59.01250	17.2
61.98683	2.4
62.76104	0.7
66.90691	0.8
67.39223	0.8
68.99674	1.2
69.03312	1.2
69.53612	5.1
71.01257	9.6
72.99204	1.3
73.02810	5.2
74.02325	1.0
75.00746	1.0
81.03322	7.9
83.01257	6.4
83.04910	0.7
85.02843	3.4
87.00743	2.4
88.98682	1.4
89.02309	3.0
91.52819	0.7
93.03347	1.2
95.01250	2.6
95.04902	4.9
96.95877	1.2
97.02827	4.4
97.06462	1.5
99.00765	1.1
99.04369	2.6
99.92446	1.2
101.02331	3.8
107.04899	2.2
108.01997	0.8
109.02829	2.6
109.06441	1.4
111.00793	1.1
111.04390	3.4
113.02319	4.3
113.09647	0.9
115.00269	1.5
115.07506	2.1
116.92744	3.3
119.03400	1.4
119.04901	1.7
121.02844	2.7
121.06403	0.8
123.00764	1.0
123.04406	7.3
125.02334	9.7
128.03407	1.1
133.02820	0.9
135.04442	3.5
135.05322	0.7
137.02359	3.9
137.05977	3.3
137.09651	1.5
139.03897	4.4
139.07523	10.2
140.07767	0.8
141.09067	1.5
143.04509	1.2
147.04381	1.2
149.02312	1.7
149.05978	1.0
149.09578	1.1
151.03903	2.9
151.11218	1.4
153.05466	1.2
155.10690	1.0
161.02354	0.8
161.04446	1.9
163.03915	1.9
164.04710	0.8
165.01825	2.0
165.05470	3.2
167.03419	20.6
168.03847	0.9
172.65770	0.7
179.03401	3.1
179.05603	1.1
179.10674	6.8
181.05031	1.6
181.08534	0.9
191.03506	0.8
191.10690	1.7
193.12311	3.9
195.10220	4.2
197.04478	2.7
197.11812	1.2
204.02940	0.8
207.10149	1.3
209.04510	20.7
219.10172	0.7
221.11873	1.1
223.09720	8.9
233.11778	1.7
235.09740	3.9
237.11304	1.3
239.05576	8.7
245.11757	1.0
247.09789	1.4
249.11360	2.7
253.04910	1.1
255.99316	0.8
263.12766	0.8
265.10791	18.7
266.11188	2.1
269.06680	1.9
275.09219	1.0
277.10812	7.7
279.12292	1.5
289.10791	1.0
291.12430	2.3
295.11783	5.8
296.12045	0.9
305.10205	0.9
307.11853	100.0
308.12167	9.6
319.11734	4.9
321.13495	1.0
325.20206	1.9
327.05167	1.8
337.12900	71.4
338.13318	7.3
341.23294	1.3
349.12830	2.8
357.06119	3.5
367.09152	1.2
367.13943	19.9
367.20972	1.5
368.14221	2.2
379.13916	2.1
385.22009	4.0
385.26367	1.5
386.22827	1.0
389.25204	1.0
391.13947	1.4
397.14520	0.8
409.14966	7.6
410.15521	1.0
427.10443	1.2
427.16064	14.2
428.16312	2.4
439.16031	5.1
457.17065	2.0
529.19073	1.5
547.13879	2.1
547.20007	7.2
547.27740	14.1
548.20850	1.6
548.28198	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1566
Annotation	Unknow
Peak:m/z	Relative Intensity
56.48545	0.6
57.03309	0.9
59.01248	9.2
69.43725	1.7
69.44141	3.5
71.01250	16.1
72.99193	1.4
73.02804	1.0
75.00706	0.8
83.01250	4.2
85.02831	2.4
87.00747	31.1
89.02333	1.0
99.83202	0.8
101.02345	0.8
111.00754	6.4
113.02331	1.4
115.00254	54.8
127.00251	2.0
133.02864	1.2
139.00258	16.4
152.99551	0.7
157.01328	27.2
158.01646	0.9
164.73743	0.7
175.02396	100.0
176.02763	2.3
214.94518	0.7
223.95044	0.8
239.16702	0.7
267.11465	0.8
275.26389	0.7
280.08557	1.9
295.10876	5.6
309.12573	1.6
311.05591	0.9
325.11890	1.8
327.13425	4.9
339.09744	2.5
353.11377	1.7
362.00012	0.7
369.10583	1.1
371.12488	10.0
372.12766	0.8
385.14551	0.8
391.12939	1.8
397.10376	1.8
399.12021	1.2
401.13525	1.5
415.33646	0.7
429.12967	4.3
430.13681	0.8
431.14526	1.5
435.11865	1.3
443.14542	1.0
453.12994	0.8
467.14594	4.1
485.15546	8.0
486.15967	1.4
487.13577	3.8
489.10159	1.1
499.13641	0.8
511.47861	0.8
529.15222	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1573
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13691	0.3
52.27290	0.3
54.80455	0.3
55.01744	0.3
57.03325	0.4
58.00478	0.6
58.77468	0.3
59.01247	9.7
61.98710	0.3
62.10128	0.3
67.01748	0.3
71.01252	14.4
71.50379	0.5
71.64018	0.3
72.99165	1.4
73.02821	1.5
75.00753	0.4
80.96386	0.6
83.01260	1.4
85.02820	2.1
85.05087	0.3
87.00748	26.7
88.01080	0.4
89.02323	1.0
91.35957	0.3
95.01257	0.3
96.95940	0.3
99.00777	0.6
101.02312	1.8
108.10540	0.3
111.00754	1.5
112.98688	0.7
113.02309	1.1
115.00254	43.6
116.00565	0.9
117.03366	0.4
118.76848	0.3
119.03386	0.3
122.06004	0.3
125.02320	0.8
127.00243	1.1
137.02472	0.3
139.00272	2.7
157.01337	6.2
161.04414	0.5
171.09995	0.4
174.01669	0.7
175.02393	100.0
176.02748	3.4
179.05490	0.8
179.10696	0.9
282.05084	0.4
295.10883	1.5
297.07764	0.9
311.05539	0.5
323.10208	0.4
325.07327	0.5
325.11789	0.7
327.13358	1.0
339.09946	0.7
353.06659	1.5
353.11380	1.1
367.21317	0.4
369.11029	0.4
371.12436	2.4
383.07623	1.3
397.10483	1.0
399.12091	0.4
401.13705	0.4
429.12997	1.2
431.14612	0.6
443.09387	0.4
457.11658	0.4
467.14624	0.5
473.10669	0.5
485.15671	1.0
487.13943	0.5
511.14420	0.4
547.14337	4.3
547.27606	1.2
548.14789	0.7
548.21887	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1454
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04767	0.5
53.69472	0.5
57.14613	0.5
62.73360	0.5
69.62932	2.9
70.53852	0.5
70.58015	0.5
71.01252	1.2
71.48822	0.6
79.01754	0.5
101.25089	0.6
107.04881	0.7
111.79453	0.5
119.04918	2.1
119.66598	0.6
121.02842	0.5
131.04868	0.7
135.04364	1.5
145.02892	3.1
147.04366	0.8
149.02296	1.1
149.73544	0.6
159.04372	0.7
161.02397	1.3
163.03917	2.0
175.03868	1.1
191.03488	1.2
203.03413	1.4
208.08897	1.0
235.07545	0.9
237.09151	0.8
251.07025	0.6
251.14381	0.6
252.07860	2.0
267.06650	3.9
277.08807	0.7
279.06607	4.2
280.07315	2.7
281.08182	17.0
282.08502	1.6
291.06665	1.2
293.08188	1.8
295.06082	2.3
297.07556	1.0
307.06195	2.0
309.07724	5.5
310.08160	0.6
312.06351	2.3
319.06079	1.2
321.07669	1.9
335.05716	0.8
337.07217	15.8
338.07498	2.3
339.08502	0.8
349.06900	3.2
353.06598	0.7
365.06491	0.7
367.08234	9.5
368.08511	1.2
379.08316	1.1
383.07440	0.6
397.09122	1.4
407.26825	0.6
427.10278	10.1
428.10730	1.2
457.11368	6.0
458.11746	0.8
529.13989	1.3
547.14539	100.0
548.14911	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	546.3201
Annotation	Unknow
Peak:m/z	Relative Intensity
71.50513	0.6
78.95782	6.0
111.29945	0.4
140.01067	2.1
156.02821	0.4
157.69685	0.4
193.98834	0.4
196.03706	1.5
214.04805	3.1
263.88950	0.4
349.27457	100.0
350.27802	14.0
350.32199	0.4
462.44257	0.5
546.32025	9.2
547.32245	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	547.1456
Annotation	Chrysin 6-C-alpha-L-arabinopyranoside-8-C-glucoside
Peak:m/z	Relative Intensity
54.34859	0.6
59.01250	3.2
61.98702	0.5
65.80585	0.5
69.69401	2.5
71.01246	1.9
73.02809	1.2
79.01772	0.6
83.01264	0.7
85.02821	1.6
89.02311	1.0
91.05423	0.7
93.03334	1.7
95.01239	0.6
99.63017	0.5
100.58871	0.5
101.02312	0.7
107.04852	0.5
111.00774	1.3
117.03338	5.7
119.04914	1.6
133.02888	0.6
135.04398	2.0
145.02881	0.9
147.04416	0.8
149.02336	1.6
159.04321	0.8
161.02347	2.3
162.03015	0.6
163.03888	1.8
165.01817	0.6
165.05528	0.5
173.06042	0.6
175.03868	1.9
177.01860	0.5
177.05502	1.5
179.03423	0.9
189.01854	0.9
189.05486	1.1
191.03459	2.4
193.05066	0.7
203.03407	1.4
205.05026	0.7
223.07567	0.6
225.05580	0.9
251.07088	0.6
253.08704	0.7
265.04965	0.8
267.06595	4.2
268.07144	1.2
279.06445	0.9
281.04532	1.6
281.08124	1.3
282.05176	1.4
283.06046	4.0
284.06348	0.7
293.08124	0.7
295.06085	11.7
296.06793	3.5
297.07666	18.7
298.07974	1.8
299.05667	0.6
306.05304	0.7
307.06161	3.1
308.06635	0.8
309.07581	3.4
311.05594	3.7
312.05963	0.5
321.04095	0.7
321.07483	1.1
323.05603	4.5
324.06195	1.5
325.07150	11.3
326.07492	0.8
327.04953	0.9
328.05814	3.5
330.63269	0.5
335.05701	1.2
337.07208	5.2
338.07785	0.7
341.06641	0.9
349.07068	1.0
353.06635	38.8
354.06921	4.0
355.08148	1.6
356.05402	1.4
365.06592	6.6
367.08179	1.5
369.06577	0.6
379.08267	1.1
383.07690	25.4
384.08069	3.3
395.07706	3.4
396.07199	0.5
397.09094	0.9
407.07700	1.4
413.08740	2.6
425.08701	1.6
428.10727	0.6
443.10016	1.3
457.11368	15.1
458.11600	2.2
461.07227	2.1
469.11551	1.9
487.12488	8.2
529.13477	2.6
547.14532	100.0
548.14807	16.9
548.23163	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1453
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01243	1.7
61.98711	0.8
69.48836	4.6
71.01254	1.7
119.04929	1.8
119.66366	0.7
121.02805	1.2
135.04396	2.1
145.02818	2.0
149.02325	1.8
161.02368	1.5
163.03918	2.3
173.02419	1.1
175.03877	1.6
179.03368	0.8
189.01884	1.1
191.03433	1.8
203.03445	2.6
208.08905	1.1
209.06015	0.9
230.06567	0.9
233.04402	1.0
237.09132	1.1
251.07158	1.2
252.07791	2.5
265.05005	1.2
266.05759	1.1
267.06622	4.2
279.06650	6.0
280.07385	3.1
281.08185	27.5
282.08530	2.5
291.06598	2.5
293.08145	3.7
295.06122	4.1
306.05194	0.9
307.06207	4.9
308.06873	1.6
309.07639	11.9
310.07858	1.1
312.06311	3.9
319.06091	2.0
321.07721	4.1
335.05640	1.0
337.07141	46.2
338.07544	5.0
339.08658	2.0
340.05777	2.0
349.07166	8.6
350.07568	1.0
351.08438	1.0
363.08752	0.8
367.08182	35.0
368.08548	4.0
379.08234	3.2
391.08264	2.2
397.09235	3.1
409.09317	3.5
427.10397	4.7
457.11371	12.5
458.11597	1.3
487.12534	5.1
529.13580	2.5
547.14539	100.0
548.14899	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	545.2965
Annotation	Unknow
Peak:m/z	Relative Intensity
54.41640	0.5
55.01740	1.1
57.03312	1.3
58.00465	1.4
58.17640	0.5
59.00963	1.2
59.01246	17.1
60.42392	0.6
61.98696	1.1
64.53392	0.5
69.03281	0.9
69.39738	4.0
69.40151	1.1
71.01249	12.3
73.02812	1.8
75.25435	0.5
75.83886	0.6
83.01267	1.4
83.04887	0.9
85.02802	3.2
87.00751	2.1
89.02309	10.9
95.01258	0.9
97.02814	0.8
97.06497	0.6
99.00709	0.7
101.02322	13.3
111.08040	14.5
113.02329	7.0
119.03374	3.3
127.07492	1.2
131.03365	0.7
131.59987	0.6
143.03371	1.5
149.09621	0.7
151.11188	1.8
153.12746	1.3
161.02357	0.7
161.04475	6.3
165.12666	0.9
169.12271	5.6
174.26025	0.7
179.05591	1.9
179.10582	0.8
181.12257	2.0
183.13861	1.1
193.12312	0.7
196.74048	0.6
197.11754	70.5
198.12148	4.2
199.13316	5.3
211.13350	9.9
227.12863	2.0
247.07457	0.8
247.20528	0.7
253.09247	59.4
254.09612	2.2
263.20102	5.9
265.18036	2.0
273.18652	1.3
291.19632	33.1
292.19983	2.2
309.20688	100.0
310.21039	9.5
545.29407	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	546.1133
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82862	1.5
70.65960	2.0
70.66308	3.0
96.95887	89.0
130.91466	1.7
168.54379	1.5
176.98564	20.1
191.01921	1.6
203.99652	100.0
204.99911	5.1
303.77365	1.7
333.24893	1.6
348.97424	1.6
468.93295	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2968
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	3.8
58.00470	1.9
59.01245	47.1
61.98708	21.8
69.03318	2.1
69.19125	1.5
69.73650	1.3
71.01257	19.8
73.02825	6.6
78.95784	7.0
83.01247	3.5
83.04893	1.6
85.02843	7.8
87.00756	3.5
89.02308	12.5
95.01265	1.9
95.04989	1.3
96.95886	10.4
101.02328	19.0
111.08035	8.4
113.02343	9.4
116.92804	1.3
119.03373	5.7
125.02365	2.9
125.09638	2.3
143.03389	1.8
161.04419	7.8
163.04030	1.3
169.12216	4.2
171.10181	11.2
179.05533	2.6
181.12250	2.4
195.13864	3.8
197.11772	38.3
199.13368	1.6
204.00386	1.2
204.02301	1.2
207.17416	1.8
211.13300	24.2
221.15341	4.1
223.16974	10.1
233.15488	6.5
235.16907	1.9
247.20601	1.6
251.16486	37.6
252.16832	2.5
253.09253	69.0
254.09619	3.3
263.34467	1.5
273.18604	2.5
291.19635	47.7
292.19974	5.5
309.20709	100.0
310.21082	12.7
468.01843	1.4
503.32397	3.3
508.26913	1.5
527.28217	2.3
545.29688	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	545.2967
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09721	0.4
54.34409	0.4
55.01777	0.8
57.03345	1.2
58.00486	0.7
59.01247	11.9
61.98743	1.2
64.03581	0.3
69.03358	0.4
70.78985	0.9
71.01248	8.3
71.04919	0.5
72.99186	0.8
73.02809	2.0
78.95788	0.6
81.03346	0.4
83.01285	1.1
83.04929	0.7
85.02811	2.7
87.00787	1.6
89.02316	9.4
91.55750	0.5
95.01294	0.9
95.04908	0.6
96.95930	0.8
97.02867	1.1
101.02321	9.0
101.02905	0.6
109.06487	0.5
111.08028	3.9
113.02322	4.7
113.02933	0.4
117.21089	0.4
119.03395	2.4
123.08085	0.5
125.06032	0.5
125.09633	0.8
131.03363	0.6
137.09616	0.6
142.02647	0.4
143.03490	0.8
153.12776	0.8
161.04471	4.4
163.11209	3.0
165.12729	5.3
166.13007	0.4
169.12302	1.2
179.05501	1.6
179.14352	1.4
181.12285	1.8
183.13940	0.5
193.15948	1.6
195.13797	0.6
197.11752	17.7
198.12115	0.9
199.13408	1.1
209.11774	1.1
211.13306	2.6
221.11809	0.7
223.13255	1.9
227.12874	0.6
235.08223	0.6
247.20653	5.2
253.09251	35.4
254.09572	1.7
261.32578	0.4
263.20267	1.4
265.18146	0.6
273.18570	1.4
274.18881	0.4
291.19650	62.8
292.19992	7.6
309.20691	100.0
310.21027	10.2
513.26544	0.4
519.22595	0.4
527.28302	0.4
545.29797	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2968
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01777	0.4
55.12170	0.3
57.03321	0.9
58.08441	0.3
59.00955	0.7
59.01249	10.7
61.98706	2.4
66.83646	0.4
71.01255	8.0
71.50134	0.4
72.99180	0.5
73.02811	1.2
83.01263	0.6
83.04892	0.5
85.02820	2.5
86.58566	0.4
87.00738	1.3
88.39211	0.4
89.02317	6.4
93.80948	0.4
95.01259	0.4
96.95891	1.1
97.02819	0.6
97.06488	0.4
99.00769	0.6
101.02324	6.8
106.92451	0.3
109.06480	0.6
111.00755	0.4
111.08015	1.5
113.02340	3.6
113.57067	0.4
114.02686	0.5
119.03416	2.0
125.09592	0.8
127.11179	1.1
143.03374	0.4
151.11188	0.7
153.09143	0.6
153.12726	3.9
154.86339	0.4
155.10664	1.3
161.04463	2.1
165.12766	0.9
167.10632	1.2
169.12253	0.9
174.01622	0.7
175.02177	0.6
179.05505	0.9
179.10670	0.8
179.14302	1.7
181.12260	2.8
181.33775	0.4
193.15929	0.5
197.11725	2.5
199.13342	1.1
202.11128	0.4
207.13840	2.3
211.13307	1.5
215.12889	1.2
226.12137	0.7
227.12810	1.1
228.13586	0.7
235.08287	0.5
247.20670	3.2
253.09270	24.3
254.09595	1.2
263.20160	0.5
265.21774	0.7
273.18567	2.1
281.21149	0.9
291.19662	28.0
292.20047	2.2
309.20694	100.0
310.21017	9.9
311.22284	0.5
341.24612	0.4
352.59277	0.4
545.12665	0.5
545.29492	12.1
546.29810	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	545.2967
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03312	0.7
59.00960	0.5
59.01248	10.3
70.64921	0.4
70.65244	0.7
71.01246	6.8
73.02808	1.5
83.01249	0.7
85.02831	2.3
87.00746	0.7
89.02316	7.1
93.95438	0.4
95.01269	1.0
97.02775	0.3
97.06466	1.6
99.00723	0.4
101.01717	0.6
101.02327	7.5
109.98584	0.4
112.32792	0.3
113.02314	3.8
113.09590	1.4
115.07562	0.8
119.03389	1.4
119.67980	0.4
123.04295	0.4
126.06710	0.5
131.03395	0.6
139.11162	0.6
141.09088	1.2
143.03371	0.5
161.04483	3.5
163.11118	0.4
163.18445	0.3
165.12761	2.5
167.10735	0.5
167.14314	1.5
179.05515	1.0
181.12308	2.4
183.13852	0.7
192.25317	0.4
193.12332	2.0
193.15953	0.6
195.13864	2.3
199.33441	0.4
211.13333	3.2
213.14812	0.4
217.15863	0.5
221.15413	2.1
221.77066	0.4
229.14429	0.6
240.13655	0.7
241.14488	0.6
247.20638	2.9
253.09256	28.3
254.09586	1.5
263.20114	0.6
273.18604	2.5
274.18866	0.4
281.21188	1.4
291.19656	29.1
292.20023	2.6
309.20691	100.0
310.21036	10.4
311.22217	0.8
545.29651	11.0
546.29993	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	545.2965
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01761	0.8
57.03324	1.2
59.01253	13.5
59.01546	0.8
59.63598	0.5
69.03345	0.9
71.01258	9.0
71.19173	1.1
72.60654	0.5
72.99200	0.6
73.02833	1.8
74.49184	0.5
83.01262	1.2
83.34262	0.5
85.02832	2.7
87.00747	1.2
89.02308	9.7
91.59203	0.5
95.01281	0.6
97.02858	1.5
97.06470	1.0
98.03606	0.5
99.00740	0.8
101.02315	11.0
101.02930	0.8
111.08052	1.6
112.45047	0.6
113.02341	4.4
119.03408	2.3
125.06064	0.6
125.09655	1.0
125.88046	0.5
131.03491	0.5
153.12808	0.6
161.04459	4.2
162.10448	0.7
163.11177	2.7
165.09160	0.7
165.12770	6.1
167.14368	0.6
169.07451	0.5
171.10197	1.2
177.12872	0.7
179.05505	1.6
179.14368	2.2
181.12253	1.6
185.11723	0.9
193.15965	1.8
197.11772	4.9
209.11858	0.9
211.13339	1.6
223.13391	2.2
233.35049	0.5
243.18773	0.5
247.20610	6.2
253.09259	33.6
254.09636	1.5
273.18610	1.9
291.19659	73.9
292.19980	8.4
309.20700	100.0
310.21033	10.5
330.21103	0.5
341.27094	0.6
545.29498	13.9
546.30280	3.1
546.85236	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.1776
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10989	14.7
56.56853	13.1
71.49737	21.8
71.53050	11.9
74.95203	13.4
77.04200	13.2
88.00335	16.3
116.92728	23.9
117.92690	23.8
147.04372	27.9
164.07104	79.9
206.08147	100.0
424.25931	15.8
495.82410	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	545.2966
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03311	1.1
59.00965	0.5
59.01247	10.1
63.93837	0.4
69.03301	0.6
69.39719	2.4
69.40134	1.4
71.01251	5.7
72.99162	0.6
73.02811	0.9
83.01232	0.6
85.02811	1.9
87.00743	0.8
89.02315	7.0
93.23371	0.4
97.02834	1.7
97.06462	1.0
99.00727	0.7
101.02324	6.9
102.02612	0.6
111.08044	1.3
113.02334	3.6
113.09586	1.2
115.07520	0.5
119.03394	1.3
126.06696	0.8
127.07502	0.5
137.09583	0.8
141.09122	1.1
143.03381	0.6
151.83253	0.4
153.12718	0.5
161.04436	2.8
163.11226	0.8
165.12805	2.5
165.14011	0.6
167.14304	1.5
171.10193	1.3
177.12854	0.6
179.05533	1.2
181.12225	2.3
183.13808	0.9
184.08949	0.5
193.12215	1.3
193.15948	0.6
195.13824	1.5
197.11711	3.1
209.11728	0.9
211.13338	4.9
217.07196	0.5
221.15503	2.2
235.08354	0.6
247.20679	3.5
248.20847	0.4
253.09258	22.4
254.09616	0.8
265.21686	0.9
273.18677	2.8
281.21188	1.1
291.19647	31.7
292.20013	4.0
309.20694	100.0
310.21057	10.6
322.82681	0.4
342.91879	0.5
476.22705	0.7
545.29468	9.1
546.29773	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	545.1298
Annotation	Dehydrogaertneroside
Peak:m/z	Relative Intensity
52.46600	1.4
57.03313	1.6
59.01234	5.9
61.98690	5.7
65.74986	1.5
69.30836	3.5
69.31236	10.6
71.01241	4.7
73.02789	2.2
80.96357	1.7
85.02835	3.0
85.35645	1.3
87.04379	2.8
93.03319	2.1
98.19835	3.1
101.02275	2.1
117.03355	12.3
117.85477	1.3
119.04917	2.3
120.04537	1.4
125.02305	1.6
135.04385	2.8
143.02809	1.5
145.02715	1.8
161.02339	5.2
163.03854	2.5
165.05374	1.4
175.03918	4.6
177.01817	6.0
179.03412	1.4
182.07539	1.3
189.01833	3.7
191.03365	4.1
201.01889	2.1
203.03403	4.9
206.90228	1.4
207.02924	4.6
215.03386	2.1
217.04849	2.0
219.02969	2.9
222.06700	1.4
223.07693	2.0
231.02980	2.7
233.04462	3.0
245.04367	2.0
247.06094	1.7
251.07054	2.4
267.06720	3.0
269.04523	4.2
275.05557	8.2
277.04953	1.4
278.05270	1.3
279.06546	3.9
281.04538	5.5
281.08133	1.4
282.05157	6.6
283.03055	2.5
283.06061	24.2
284.06497	2.3
287.05627	1.5
291.06793	1.7
293.04572	3.0
293.07928	3.7
294.05197	2.0
295.06070	19.7
296.06619	4.2
297.04312	2.5
297.07608	11.9
305.06808	4.7
307.06088	10.3
308.03336	2.5
308.06778	2.2
309.04269	2.7
309.07703	8.4
310.07806	1.8
311.05600	22.0
312.05972	3.9
321.04111	3.8
322.04666	5.2
323.05545	19.7
324.06076	3.4
325.07068	7.9
328.05780	4.0
334.04761	1.8
335.05563	6.3
337.03586	2.3
337.07166	17.8
338.07626	2.2
339.05109	14.4
340.05371	1.9
341.06494	11.9
349.07175	3.4
350.04099	2.6
351.05002	26.3
351.08948	3.1
352.05453	3.3
353.06610	16.5
354.06967	2.4
355.08173	2.7
363.04977	4.2
365.06036	10.0
366.06912	1.9
367.08167	4.6
369.06137	16.7
370.06448	2.6
381.06116	21.5
383.07703	23.9
384.08026	2.2
393.05859	3.7
395.07645	6.0
397.09189	2.1
399.06949	2.3
401.08746	9.2
402.09222	2.2
411.06995	10.0
413.08740	12.4
414.09174	2.1
423.06830	1.9
425.08774	2.7
427.10324	3.8
429.08243	46.8
430.08499	5.4
437.08722	4.1
439.10803	1.6
441.08231	57.7
442.08649	8.4
443.09668	9.3
444.10593	1.7
453.08328	5.2
455.09857	15.3
459.09207	5.6
471.09253	22.0
472.09567	5.4
473.10907	29.3
474.11191	3.5
501.10294	23.2
502.10849	2.6
509.10687	1.9
527.11890	28.1
528.12079	5.8
534.66638	1.8
545.12946	100.0
546.13196	18.2
553.82843	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.1295
Annotation	Unknow
Peak:m/z	Relative Intensity
57.46307	0.6
59.01255	2.0
61.98695	1.9
71.01250	1.9
71.50890	1.1
73.02818	0.7
79.01794	1.0
85.02843	1.8
93.03320	3.5
95.01265	1.0
101.02338	0.9
107.04856	0.7
117.03337	13.0
118.03694	1.3
119.04920	2.4
121.02843	0.8
131.04922	1.4
133.02800	0.7
135.04420	3.9
136.01561	0.6
137.02325	1.0
145.02853	1.2
147.04390	1.4
149.02359	2.5
150.03119	0.8
151.03899	0.8
159.04413	2.3
161.02344	6.5
161.06001	0.8
163.00244	0.7
163.03915	3.2
165.01842	1.2
165.05516	0.8
173.05927	1.5
175.03909	5.3
177.01854	3.2
177.05449	2.5
179.03415	2.2
182.03528	0.6
185.02386	0.8
189.01881	2.2
189.05371	1.0
191.03441	3.3
192.04079	0.7
197.06050	0.9
203.03342	3.2
204.00627	0.7
205.01390	0.7
205.04984	1.6
207.02934	2.2
211.07590	1.1
215.03401	1.3
216.25266	0.6
217.01341	0.8
217.05049	0.9
219.02911	0.8
221.04413	0.9
223.07565	1.8
224.08275	1.0
225.05515	0.9
230.05057	0.6
231.02963	1.3
233.04568	1.1
235.07620	0.7
237.03870	0.8
238.06339	1.0
239.07143	1.6
245.04559	1.0
249.03828	1.3
251.07071	1.9
253.04974	1.4
253.08775	1.0
263.07175	0.8
265.05011	1.3
266.05505	0.8
267.06506	3.1
268.07306	2.6
269.04523	1.7
277.05048	1.3
278.05573	0.9
279.06445	1.9
281.04556	4.0
281.07831	0.8
282.05215	6.0
283.06082	16.5
284.06412	0.8
293.04529	1.9
293.08112	1.8
294.05084	1.4
295.06113	19.2
296.06845	22.5
297.07617	34.2
298.08090	2.9
306.05310	0.8
307.06143	5.3
308.06491	1.0
309.04001	1.8
309.07635	4.5
310.04669	0.8
310.07922	1.1
311.05600	16.0
312.05963	2.5
314.04105	1.0
319.06433	0.6
321.04129	1.3
321.07697	1.8
322.04727	2.3
323.05582	17.6
323.09427	1.1
324.06155	4.1
325.07190	16.7
326.07672	1.4
328.05835	9.0
335.05630	3.7
337.07141	9.9
338.07449	1.5
339.05200	4.0
339.08755	1.1
341.06720	5.2
347.05685	1.2
349.06937	1.1
350.04318	1.0
351.05087	7.7
352.05582	1.8
353.06631	74.7
354.06943	8.4
355.08057	4.0
356.05304	3.5
361.07147	0.9
363.05072	2.0
365.06555	15.0
365.10822	1.2
366.07019	1.4
367.04498	1.5
367.08313	1.8
369.06085	14.1
370.06396	1.7
379.08188	1.5
381.06091	6.8
382.06412	1.1
383.07687	73.5
384.08035	7.5
389.06409	0.8
393.06390	1.0
395.07574	5.3
397.09222	1.9
399.07193	10.2
400.07312	1.1
401.08661	2.2
407.07507	2.9
411.07178	1.2
413.08746	4.2
414.09329	0.9
419.07739	0.7
423.07104	0.7
425.08716	14.1
426.09033	2.3
429.08014	1.9
437.08823	1.8
441.08231	6.5
442.08920	5.5
443.09784	100.0
444.10107	12.9
455.09769	10.8
456.10034	1.3
457.07706	2.4
458.08438	1.2
459.09314	23.3
460.09647	3.1
467.09872	1.8
471.09451	0.7
473.10751	2.1
474.10522	0.7
485.10895	2.5
509.10660	1.0
527.11926	7.7
528.12006	1.1
545.12958	88.6
546.13330	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	545.1297
Annotation	Dehydrogaertneroside
Peak:m/z	Relative Intensity
60.01030	0.8
70.37119	2.2
71.01279	1.0
80.58797	0.7
80.70957	0.7
82.71825	1.0
93.03324	1.6
94.30238	0.8
117.03343	5.2
119.04863	1.1
135.04326	1.8
161.02339	2.9
163.03889	0.9
165.01823	0.9
173.02357	0.9
175.03850	1.7
177.01765	1.6
177.05385	1.0
179.03423	1.5
191.03363	1.2
203.03352	1.7
205.05005	0.8
207.02934	3.3
219.02997	1.0
237.03796	1.0
249.04030	1.2
251.06998	0.9
253.08533	0.9
267.06573	1.7
268.07446	1.3
269.04517	1.5
279.05008	1.7
281.04459	2.6
282.05252	2.0
283.06119	12.3
294.05621	0.9
295.06122	8.2
296.06741	3.7
297.07666	18.3
298.07785	1.3
306.07614	1.3
307.05957	2.0
309.07626	2.9
311.05573	12.3
312.05969	2.0
322.04840	1.2
323.05542	13.0
324.06030	2.7
325.07184	10.1
326.07617	1.2
328.05890	4.4
335.05566	2.1
337.07196	4.2
339.05038	2.9
341.06784	4.8
342.07349	0.9
351.05008	7.7
352.05643	1.7
353.06619	35.0
354.07086	4.5
355.08112	1.5
356.05194	2.1
363.04752	1.5
365.06628	5.6
367.04434	2.2
369.06116	19.1
370.06540	2.0
381.05972	6.7
383.07687	20.8
384.07941	3.0
395.07727	1.9
397.05673	1.1
399.07135	13.8
400.07486	2.6
401.08783	2.7
402.08902	1.0
403.48431	1.1
407.07986	1.1
413.08783	1.5
425.08643	1.5
426.09329	1.1
429.08902	1.3
441.08218	5.2
442.08600	1.7
443.09805	23.5
444.10022	2.5
446.08801	1.5
455.09955	4.0
457.07733	4.1
458.08594	0.9
459.09329	30.8
460.09793	4.0
485.10825	1.4
520.81061	1.2
520.88898	0.9
527.12146	2.6
535.13123	0.9
545.12958	100.0
546.13348	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	545.1302
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34391	0.8
59.01238	3.2
61.98695	0.9
69.26901	0.7
69.27202	7.2
70.39650	0.8
71.01255	1.9
73.02785	1.1
79.01733	0.9
85.02792	0.7
87.00746	1.0
89.02324	1.1
90.49477	0.8
93.03353	2.0
96.95884	1.1
107.01246	0.8
109.02806	0.8
117.03358	6.7
119.04939	1.3
121.02908	0.9
125.02328	2.2
133.02878	0.9
135.04381	2.3
147.00769	0.9
147.04395	1.0
149.02364	1.4
151.04022	0.9
159.04393	0.9
161.02354	3.8
163.00258	0.8
163.03937	1.3
171.04474	0.9
173.02396	1.1
175.03915	2.5
177.01842	2.7
177.05498	1.4
179.03389	1.4
189.01837	2.1
189.05432	1.2
191.03441	2.3
197.05992	0.9
201.01701	0.9
203.03462	0.7
205.01363	0.8
207.02917	2.7
215.03476	0.9
221.04536	0.8
237.03822	1.1
239.07097	1.9
243.38831	0.8
261.03885	0.8
267.06516	1.5
268.03717	1.0
268.07410	1.1
269.04568	2.8
279.06607	0.9
281.04504	3.4
282.05307	2.7
283.06082	12.9
284.03284	1.7
284.06210	1.1
285.03931	4.0
293.04712	1.9
294.05212	1.3
295.06107	10.8
296.06744	3.6
297.04340	1.0
297.07605	13.8
298.07870	1.7
306.07956	1.2
307.06110	2.7
309.04263	1.3
309.07648	3.5
311.05609	13.1
312.05792	1.5
321.07565	1.4
322.04758	2.1
323.05612	10.4
324.06235	1.9
325.07217	7.5
326.07391	0.9
328.05859	2.3
335.05460	2.3
337.07220	5.9
339.05124	4.4
341.06760	4.3
349.07117	1.2
351.05118	8.6
352.05432	1.6
353.06662	26.7
354.07117	4.0
355.08224	1.8
356.05685	1.2
363.05109	1.5
365.06586	4.4
367.04407	1.1
369.01407	1.1
369.06055	16.0
370.06415	2.4
381.06238	5.8
382.06168	1.3
382.10632	1.0
383.07535	15.7
384.08017	1.6
395.07645	3.0
399.07162	7.9
401.08856	2.7
409.09314	1.2
411.07227	2.5
413.08856	3.2
423.07425	1.0
425.08923	1.6
427.10269	1.1
429.08337	5.7
437.08640	1.3
441.08255	10.5
442.08792	2.4
443.09827	21.9
444.10535	3.6
447.09195	2.6
455.10043	6.3
457.07343	3.6
459.09335	24.0
460.09540	3.2
471.09250	3.6
473.10864	3.1
485.10925	2.5
492.02429	0.8
501.10165	3.8
527.11816	7.7
545.12994	100.0
546.13470	19.5
561.16876	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.4628
Annotation	Unknow
Peak:m/z	Relative Intensity
58.54888	2.0
61.98687	5.2
69.57726	2.1
70.49373	8.2
88.88873	2.2
131.87642	2.3
202.29977	2.5
223.20619	3.4
225.20169	3.2
225.22202	36.4
271.22775	100.0
272.22931	8.8
312.99771	2.3
408.29437	2.6
535.09546	2.2
573.35004	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	543.3174
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95872	0.2
51.04764	0.2
54.12259	0.2
55.01752	0.5
57.03324	1.4
58.00468	1.0
59.01250	100.0
60.01576	1.3
61.98702	13.1
62.98410	0.2
69.03329	0.6
70.12582	0.2
71.01253	26.6
71.04905	0.4
71.50487	0.4
72.01611	0.6
72.99178	1.9
73.02402	0.4
73.02818	8.7
74.03150	0.3
75.00761	0.5
80.96405	0.9
83.01254	3.1
83.04914	0.3
85.02822	7.6
86.03156	0.2
87.00763	1.8
87.04406	1.1
89.02315	18.5
90.02671	0.5
95.01270	2.4
95.04964	0.3
96.95899	0.3
97.02849	0.6
97.06489	0.3
99.00765	1.1
99.04432	0.4
101.02321	16.3
102.02687	0.4
110.01830	0.5
111.07993	0.2
111.82127	0.2
113.02328	21.6
113.49122	0.2
114.02688	0.7
114.29900	0.2
115.03893	0.2
119.03382	7.7
121.06529	0.3
125.02351	1.1
131.03377	1.7
134.90640	0.3
135.08095	0.5
137.09692	0.3
139.07565	0.3
143.03410	2.4
149.04462	1.1
149.09630	0.3
153.12772	0.3
155.03363	0.3
161.04474	6.6
161.05836	0.3
162.04729	0.3
171.10181	2.1
179.05533	4.4
184.76274	0.3
209.11885	0.9
225.00679	0.3
253.09393	1.1
289.18091	1.1
305.17508	0.3
307.19098	3.0
379.08087	0.3
483.29504	7.7
484.30081	1.4
501.30704	4.7
502.31302	0.9
543.27545	2.8
544.27808	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.2958
Annotation	Unknow
Peak:m/z	Relative Intensity
57.44476	1.0
59.01248	100.0
60.01590	1.4
61.89429	1.1
70.71104	1.7
70.71469	1.9
78.07913	0.9
96.91011	0.9
134.46779	0.9
208.36369	0.9
299.34537	1.0
307.26489	1.6
340.80515	1.1
442.55081	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3173
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01761	0.5
57.03333	0.6
58.00462	1.2
59.01252	100.0
60.01592	1.3
61.98711	0.5
69.03335	0.7
69.19081	1.5
69.19502	1.0
70.84693	0.2
71.01256	29.2
72.01598	0.9
72.99179	1.4
73.02821	17.5
75.00751	0.8
81.03339	0.5
83.01263	5.0
85.02827	6.3
87.00764	1.5
87.04412	1.0
89.02320	16.7
90.02677	0.3
93.03355	0.6
95.01259	1.9
97.02852	0.7
98.19630	0.3
98.20171	1.2
99.00766	1.2
101.02325	19.6
102.02696	0.5
112.01678	0.2
113.02337	18.0
114.02677	0.5
117.07007	0.3
119.03394	6.9
119.08542	1.1
123.08117	0.3
125.02351	0.9
125.09696	0.4
131.03398	2.1
135.08060	1.9
143.03418	2.9
149.04453	1.7
155.03452	0.6
161.04466	6.4
162.04825	0.3
171.10208	5.4
172.10661	0.3
179.05542	6.3
209.11671	0.2
221.06657	0.3
253.09312	2.0
261.15131	0.7
267.19281	0.2
271.17331	0.3
273.14993	0.3
289.18048	2.7
307.15536	0.9
307.19287	2.7
339.25540	0.5
353.16193	0.8
354.59851	0.2
371.13660	0.2
381.15094	0.3
483.29712	2.5
501.30685	1.9
502.31155	0.3
511.54388	0.3
525.27399	0.8
538.57855	0.3
543.15955	0.3
543.28723	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.2812
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01723	1.0
56.13918	0.8
57.03329	2.3
58.03997	1.0
59.01247	45.2
61.98691	8.0
65.03838	1.4
68.33706	1.0
69.03327	0.9
71.01251	17.0
71.04873	1.3
72.99168	1.3
73.02834	4.1
75.00755	1.3
80.96375	2.0
83.01271	3.1
83.04887	3.2
85.02837	5.7
86.02345	4.3
87.00756	3.6
89.02311	10.7
93.03339	10.9
95.04948	1.2
96.95886	1.3
96.96897	0.9
97.06479	1.9
101.02322	13.6
109.06492	1.6
111.04379	1.1
113.02306	8.3
117.06993	9.6
117.85722	0.9
119.03381	3.8
119.04905	2.3
119.08560	18.1
120.05740	1.5
121.02809	1.5
121.06480	1.6
123.08086	1.5
125.02321	1.2
125.09615	8.1
127.08678	2.0
127.11171	1.6
128.03419	18.6
132.30843	0.9
133.06496	3.0
135.08054	50.7
136.08371	2.4
137.02336	1.0
143.03455	1.5
153.06638	1.7
161.04474	5.2
165.12761	1.2
171.07721	7.7
171.10173	100.0
172.10535	5.3
179.05618	1.5
209.11705	6.5
215.06691	2.9
225.00476	1.4
235.08189	1.5
245.19035	1.3
253.09253	36.6
254.09651	3.0
261.18558	2.3
271.17078	2.4
279.19598	2.9
289.18088	50.8
290.18411	4.2
293.21213	4.0
297.04080	1.2
307.19135	44.6
307.22678	2.2
308.19547	4.9
327.05075	2.0
327.19958	8.3
407.18906	2.2
414.23245	7.8
423.10666	2.4
444.95181	1.0
483.29367	2.2
501.30353	1.1
525.27032	16.2
526.27191	2.1
543.15070	1.8
543.27545	13.2
543.35797	1.9
544.27618	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.1753
Annotation	Unknow
Peak:m/z	Relative Intensity
53.19268	0.8
59.01242	2.4
61.98698	2.9
63.96111	1.6
69.03316	0.8
69.68530	1.5
69.68924	3.7
71.01260	7.0
73.02811	2.1
77.43226	0.9
78.95766	1.5
78.98468	4.6
79.95605	9.5
80.96389	60.7
81.03356	1.0
85.02840	2.4
87.00745	3.0
92.44984	0.7
94.97390	1.5
94.97961	17.4
96.95877	1.2
97.02824	1.2
98.19845	1.6
98.20495	1.7
101.02322	1.8
106.97977	3.5
113.02358	0.8
122.97450	3.2
125.02340	2.0
127.03925	0.9
134.97507	4.6
136.99004	1.8
148.99031	4.9
152.98476	5.4
152.99596	1.1
164.98541	10.7
181.12297	2.6
199.13295	4.0
206.99670	2.0
209.11751	1.7
225.00685	18.5
225.02783	1.5
226.01047	1.2
244.81075	1.0
293.84085	0.8
299.04474	2.6
374.79135	0.7
404.37939	0.8
481.17581	6.3
499.17853	0.8
525.16650	2.9
543.17535	100.0
544.17743	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	543.2447
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10475	1.2
53.49525	1.4
59.01249	11.9
61.79177	1.3
66.49828	1.2
70.26426	3.8
71.01248	9.7
83.01246	1.5
85.02821	3.3
89.02322	5.4
98.19858	1.7
101.02326	6.2
109.19509	1.5
113.02296	3.3
119.03391	1.9
125.07377	1.3
181.02435	1.3
307.30319	1.5
319.19077	8.3
320.19427	2.7
337.20117	7.8
363.18005	3.6
499.25446	6.0
543.24457	100.0
544.24805	17.8
558.76880	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	543.2584
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01233	3.1
61.98686	5.9
69.44808	2.5
69.45213	7.4
75.00726	2.2
78.95770	63.8
82.96702	1.5
87.00747	11.3
96.96841	14.0
98.19753	2.5
98.84086	1.4
105.01820	38.4
105.13828	1.4
109.99955	1.5
117.03344	13.1
119.04908	36.8
121.02856	1.8
145.02853	53.7
146.03200	2.7
147.04385	6.1
152.99486	58.0
163.03915	71.5
164.04250	3.1
166.86101	1.6
175.03891	4.3
203.03418	10.6
216.57303	1.4
227.20103	79.7
228.20425	5.7
233.04520	16.3
241.01154	30.9
251.05574	21.0
309.20670	1.7
315.04846	8.4
361.20096	2.6
363.19366	5.9
397.22137	2.7
529.56311	1.4
534.96991	1.6
543.25720	100.0
544.26031	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	542.2456
Annotation	Unknow
Peak:m/z	Relative Intensity
54.57068	0.2
55.94309	0.2
56.91048	0.2
57.03324	0.4
58.00474	0.2
59.01252	11.5
60.01577	0.2
61.98702	100.0
62.98410	0.2
63.96117	0.2
69.29552	1.0
69.29980	0.7
70.45905	0.2
71.01254	3.6
72.01579	0.2
72.99187	0.5
73.02818	1.5
75.00745	0.2
78.95776	0.4
80.96394	1.3
83.01259	0.7
85.02801	1.2
87.00763	0.4
87.04395	0.3
89.02317	1.6
94.97986	0.3
95.01278	0.2
96.95858	0.2
98.19814	0.3
101.02327	2.3
113.02320	2.0
114.71346	0.2
119.03411	0.5
125.02345	0.4
137.09668	0.3
143.03410	0.3
149.04417	0.3
159.10254	0.4
161.04504	0.8
164.98689	0.2
171.10223	0.7
177.00908	0.4
177.03424	0.2
179.05580	0.3
211.13441	0.4
212.13742	0.5
213.13997	0.2
225.00761	0.5
253.09351	0.3
287.16675	0.3
288.16876	0.3
305.17807	0.3
306.18091	0.6
325.03726	0.3
369.06277	0.2
375.15540	0.2
397.05829	0.7
455.71283	0.2
483.29340	1.2
501.30630	0.3
542.26630	0.9
542.34900	0.3
543.28156	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	541.3378
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65347	1.6
56.63683	1.6
58.44998	1.7
59.01246	100.0
74.39879	1.6
78.95763	2.0
83.82581	1.7
86.56352	2.0
100.77505	1.5
114.09686	1.7
129.65178	1.7
133.52356	2.0
143.62924	1.9
152.99435	2.3
210.12035	1.6
255.23177	3.7
257.29556	1.7
277.21756	3.7
483.27039	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	542.1514
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10310	12.1
59.01253	100.0
66.80133	11.0
68.62926	12.1
69.43387	11.5
70.54691	37.7
71.01255	78.6
71.69124	14.2
85.02835	43.0
88.98681	40.4
89.02321	42.5
93.96794	11.1
97.02814	11.9
99.00773	39.2
101.02320	44.5
113.02323	48.8
119.03412	25.2
125.02332	22.3
131.03595	13.8
133.02834	12.3
143.03372	35.2
161.04482	46.4
230.06641	18.3
315.37643	13.0
323.09845	38.8
363.22357	13.2
365.10736	31.4
394.76630	13.2
456.15088	48.1
498.16266	22.3
518.26282	13.3
543.11407	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	541.2685
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66643	0.2
57.03307	0.3
59.01238	0.5
61.98712	0.2
63.96100	0.6
65.34093	0.2
69.03324	0.4
70.51975	0.3
70.52312	0.4
71.01253	4.7
71.91281	0.2
72.99187	0.2
73.02825	1.0
78.98463	3.6
79.95130	0.3
79.95600	6.1
80.52117	0.2
80.96386	41.1
81.03359	0.5
83.01247	0.3
85.02831	1.8
87.00767	1.8
94.97958	9.7
94.98580	0.5
96.33900	0.2
96.95895	0.7
97.02813	1.0
101.02318	1.4
106.97971	2.2
113.02317	0.3
122.97485	2.0
125.02323	2.1
127.03893	0.6
134.97473	3.2
136.99019	0.7
148.99046	3.7
152.98529	4.2
164.98532	8.5
165.98830	0.2
167.00050	0.2
188.98567	0.2
206.99603	1.7
225.00697	11.1
241.21677	1.7
242.62500	0.2
273.89270	0.2
299.04425	2.3
300.04694	0.2
399.74570	0.2
541.26843	100.0
542.27191	13.9
551.94562	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.2655
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42669	0.4
57.03317	1.0
59.01249	19.7
61.98694	5.3
62.06854	0.5
70.23740	1.9
71.01250	8.6
72.99179	0.9
73.02819	2.9
78.08929	0.5
78.95783	0.9
83.01261	1.6
85.02831	2.7
87.00745	2.1
89.02310	6.1
97.06459	1.0
99.00715	0.8
101.02313	9.0
101.05941	0.7
112.10771	0.5
113.02326	4.3
116.92732	1.6
117.06961	1.3
119.03389	1.4
120.01136	0.7
121.02839	3.0
121.06435	0.6
123.08024	1.3
125.09611	7.5
127.11152	1.3
128.03423	3.8
128.69543	0.5
133.06441	1.0
135.08031	3.0
143.03368	0.8
143.10696	2.1
151.07533	0.7
158.07262	1.0
161.04462	3.3
162.06784	6.6
171.07791	0.9
171.10181	29.1
172.10590	1.0
179.05589	1.0
179.10637	0.6
185.11896	0.5
231.04416	0.7
231.17523	0.8
234.08965	0.6
238.33772	0.5
249.05501	1.5
253.09264	19.7
254.09671	0.6
261.18597	0.5
269.15472	0.6
275.16483	1.6
277.18106	8.9
278.18350	0.7
287.16510	16.2
288.16733	1.2
303.15991	1.1
305.17581	100.0
306.17899	10.6
317.08914	0.6
319.23016	0.6
375.71646	0.6
385.91776	0.7
456.58411	0.5
481.27225	0.6
499.29114	0.9
523.25592	2.7
541.26123	14.8
542.26660	2.8
544.21631	1.1
564.60309	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.2653
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59359	0.4
55.01780	0.4
57.03361	1.3
59.00968	1.5
59.01248	27.7
59.03105	0.4
61.98697	2.7
69.03355	0.6
71.00889	0.5
71.01248	11.7
71.04926	0.6
72.99211	0.6
73.02821	4.0
74.02345	0.4
78.95767	2.2
83.01326	2.0
83.04934	0.7
85.02815	3.2
87.00339	0.6
87.00820	2.0
89.02316	8.4
91.03966	0.6
91.05463	1.2
95.01307	1.0
96.96918	0.4
97.02846	0.8
97.06523	1.9
99.00799	1.1
101.02317	10.9
101.06043	0.5
105.03368	0.5
106.04192	1.2
113.02332	6.1
117.06984	4.9
119.03409	3.1
119.04971	1.3
119.39931	0.5
121.02840	3.4
123.08128	1.3
125.02425	0.6
125.09615	8.4
127.11207	0.7
131.03433	0.7
133.06467	0.6
135.08057	7.6
136.65720	0.4
143.03429	0.8
143.10745	1.8
147.04533	0.5
150.06873	0.4
161.04474	3.7
161.05620	0.4
162.06801	5.6
171.10184	30.5
172.10597	1.4
179.05614	1.0
185.11826	1.1
191.03481	0.6
207.10239	0.5
217.57422	0.4
231.13881	0.6
231.17503	1.0
233.06143	1.1
243.17526	1.1
247.13412	1.2
253.09250	22.2
254.09695	1.0
259.17004	0.8
261.14960	0.9
269.15515	1.5
275.16580	1.1
277.18103	7.5
278.18439	1.1
287.16516	14.6
288.16837	1.7
303.16013	1.3
305.17572	100.0
306.17935	10.0
452.52417	0.5
481.27673	0.8
499.28790	0.5
512.22601	0.6
523.25482	8.9
524.26263	0.9
541.26324	16.2
542.26379	2.7
544.21442	1.1
545.21814	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.265
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64208	6.2
59.01245	54.6
61.98692	27.2
66.54261	6.0
71.01247	35.0
71.50076	12.4
71.50478	7.6
73.02810	22.4
75.00716	9.3
85.02837	9.1
87.00719	8.4
89.02282	10.6
96.95882	42.4
101.02324	14.2
103.61970	7.1
113.02270	11.4
115.91965	7.3
171.48291	6.3
213.35196	6.2
232.97285	6.1
291.19693	7.7
293.21158	32.3
305.17267	6.8
367.13364	8.9
377.07309	7.9
455.26376	23.7
497.27545	100.0
498.27539	12.5
541.26447	12.9
542.26794	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	541.2655
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42669	0.4
57.03317	1.0
59.01249	19.7
61.98694	5.3
62.06854	0.5
70.23740	1.9
71.01250	8.6
72.99179	0.9
73.02819	2.9
78.08929	0.5
78.95783	0.9
83.01261	1.6
85.02831	2.7
87.00745	2.1
89.02310	6.1
97.06459	1.0
99.00715	0.8
101.02313	9.0
101.05941	0.7
112.10771	0.5
113.02326	4.3
116.92732	1.6
117.06961	1.3
119.03389	1.4
120.01136	0.7
121.02839	3.0
121.06435	0.6
123.08024	1.3
125.09611	7.5
127.11152	1.3
128.03423	3.8
128.69543	0.5
133.06441	1.0
135.08031	3.0
143.03368	0.8
143.10696	2.1
151.07533	0.7
158.07262	1.0
161.04462	3.3
162.06784	6.6
171.07791	0.9
171.10181	29.1
172.10590	1.0
179.05589	1.0
179.10637	0.6
185.11896	0.5
231.04416	0.7
231.17523	0.8
234.08965	0.6
238.33772	0.5
249.05501	1.5
253.09264	19.7
254.09671	0.6
261.18597	0.5
269.15472	0.6
275.16483	1.6
277.18106	8.9
278.18350	0.7
287.16510	16.2
288.16733	1.2
303.15991	1.1
305.17581	100.0
306.17899	10.6
317.08914	0.6
319.23016	0.6
375.71646	0.6
385.91776	0.7
456.58411	0.5
481.27225	0.6
499.29114	0.9
523.25592	2.7
541.26123	14.8
542.26660	2.8
544.21631	1.1
564.60309	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.2568
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01240	4.4
60.76683	2.1
61.98697	7.9
67.99066	2.3
69.81216	2.3
71.50227	3.0
71.50594	2.5
73.36715	1.9
75.99075	2.0
96.69415	1.8
96.95901	2.4
98.12080	2.1
117.03333	17.3
119.04913	25.5
119.45409	2.3
121.02846	4.6
139.71201	2.1
145.02847	100.0
146.03181	4.9
147.40398	1.9
163.03918	18.9
277.38046	2.6
285.20691	6.7
413.23392	13.4
414.23373	2.7
431.24338	9.6
432.24329	2.3
444.00818	2.1
505.28049	93.5
506.28256	19.8
540.35706	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	539.2706
Annotation	Unknow
Peak:m/z	Relative Intensity
57.30177	0.3
59.00961	0.7
59.01246	10.7
61.29483	0.3
61.98693	2.3
67.68248	0.4
69.03334	0.6
71.01250	2.9
71.30064	0.7
71.30465	0.3
73.02805	1.0
78.95776	1.6
79.75882	0.3
80.96366	0.4
84.33555	0.3
85.02812	1.4
87.00751	0.4
89.02319	2.1
101.02318	2.5
113.02317	1.3
119.03373	0.8
127.20728	0.3
161.04433	1.0
167.14325	0.4
171.10223	0.4
179.05466	0.4
183.13805	5.5
193.12296	1.7
211.13329	100.0
212.13658	7.0
235.08151	0.7
253.09244	11.6
254.09648	0.8
258.74942	0.3
327.21631	0.3
447.22360	8.2
448.22623	0.9
539.32648	0.6
540.29578	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2862
Annotation	Forskoditerpenoside E
Peak:m/z	Relative Intensity
59.01253	32.7
61.98708	1.3
71.01252	3.5
72.76580	0.8
73.02820	1.9
78.45715	0.7
83.01282	1.0
85.02839	1.4
89.02331	2.1
101.02311	4.2
103.43938	0.8
113.02344	1.9
115.12743	0.8
166.29764	0.7
191.45792	0.8
229.39613	0.8
317.21207	100.0
318.21561	12.2
322.84744	0.8
479.26361	1.4
497.27542	1.1
535.49023	1.0
539.28589	11.5
540.28748	2.0
569.02557	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.0986
Annotation	Muraxanthone
Peak:m/z	Relative Intensity
55.01741	2.0
56.97898	0.9
57.03315	2.2
58.00473	1.1
59.01247	48.8
61.98701	9.9
71.01255	15.3
71.50560	1.6
72.99178	2.0
73.02816	7.1
75.00731	1.3
78.91790	1.1
78.95756	1.6
80.96380	1.3
81.03294	1.0
83.01250	2.4
83.04866	1.2
85.02801	4.4
85.72817	1.0
87.00751	2.5
89.02312	7.1
93.03323	1.8
95.01254	1.3
99.00752	1.6
101.02314	10.9
102.39156	1.1
103.26712	1.0
105.03372	1.2
113.02318	9.7
114.02557	1.1
115.00171	1.5
117.03316	6.6
119.03394	3.8
119.04890	1.3
125.02333	1.7
125.09600	1.5
127.00253	2.2
129.01825	1.2
131.03365	1.1
133.02803	1.1
134.59074	1.1
135.04427	1.3
135.08070	1.4
139.00145	1.3
139.07512	1.2
139.13736	1.1
143.03374	1.5
143.10690	1.5
145.06456	1.1
147.04424	1.6
149.02359	1.8
149.09546	1.2
152.15932	0.9
159.04398	1.9
161.02336	3.1
161.04460	2.6
162.06744	1.1
163.03928	1.4
171.10184	6.4
173.02339	1.3
175.03929	1.8
179.05521	1.7
183.50989	1.0
187.03937	1.1
189.05357	1.8
191.03400	2.2
199.03941	1.7
201.05458	2.0
203.03407	2.6
204.00600	1.6
205.01352	1.5
211.13324	4.7
212.13594	2.7
215.03450	1.2
217.01366	1.2
217.04976	1.6
231.02898	1.9
239.06927	1.1
251.07042	2.4
253.09222	6.9
263.07489	1.5
267.06628	1.6
277.18079	2.7
279.06454	1.2
281.04349	1.3
282.04953	1.2
283.06128	3.4
287.16525	18.4
293.04718	1.7
293.08160	1.9
295.06015	11.1
296.06818	1.3
297.07571	1.4
305.04568	2.1
305.17545	26.2
306.17911	1.8
307.06082	9.3
308.06741	1.8
309.03949	1.4
309.07632	1.9
311.05554	2.9
319.06073	3.6
320.06879	2.0
321.04019	1.9
321.07571	13.9
322.04602	3.0
322.07956	1.6
323.05545	6.6
323.08884	1.5
333.07733	2.7
335.05643	4.5
337.07053	3.3
349.03000	2.1
349.07108	30.2
350.07532	3.6
351.04999	8.0
351.08838	2.4
352.05502	1.3
353.06561	1.4
361.07104	5.3
363.05081	1.9
367.08060	1.6
377.06567	8.2
379.08249	24.0
380.08505	3.1
381.06055	5.3
389.06647	1.6
391.08240	1.2
395.07483	4.1
397.09152	1.5
405.06110	2.2
407.07690	8.7
409.09097	2.1
413.08737	4.6
421.09149	3.2
423.07391	2.5
425.08521	3.6
433.05508	6.1
435.07327	1.5
439.10297	15.2
440.10907	1.8
441.08234	18.5
442.08618	1.8
451.06778	2.6
453.08255	3.4
463.06659	2.8
467.09579	7.3
469.07034	1.5
485.10959	2.1
495.09360	6.4
505.08267	1.4
513.10468	8.0
514.10364	2.1
523.00702	2.4
523.08765	60.7
524.09326	9.9
541.09833	100.0
541.26221	10.0
541.32477	2.0
542.10132	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	539.253
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37576	0.3
58.83073	0.3
59.01230	1.1
63.96100	1.3
69.03354	0.4
71.01247	6.6
73.02815	1.1
73.17612	0.3
78.98459	6.3
79.95124	0.4
79.95600	9.3
80.96383	67.2
81.03335	0.4
81.96313	0.3
83.01226	0.5
85.02821	2.6
87.00746	2.2
94.97957	14.1
96.95884	1.2
97.02828	1.4
99.00746	0.8
101.02332	2.2
105.01408	0.3
106.97961	2.8
113.55442	0.4
122.97456	3.0
125.02318	3.2
127.03902	0.7
134.97472	4.7
136.99042	1.6
148.99048	5.9
152.98531	5.0
164.98537	12.5
167.00137	0.4
172.53796	0.3
206.99600	3.0
225.00685	14.5
226.01068	0.5
239.20145	2.1
245.04381	0.3
299.04376	2.9
539.25256	100.0
540.25568	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	539.2627
Annotation	CHEBI:68152
Peak:m/z	Relative Intensity
56.51170	0.9
57.03314	1.4
57.69897	1.0
59.01242	1.9
65.62508	0.8
68.92916	1.1
70.92690	0.9
70.98552	2.0
77.86679	1.0
78.95317	1.8
78.95774	30.8
96.10605	1.1
96.96833	3.3
99.08042	1.1
101.18950	0.9
101.19657	1.0
115.07545	1.4
118.64708	1.2
128.08321	1.3
152.99492	42.6
167.14333	5.1
171.00560	4.5
183.13831	2.7
195.13835	17.2
213.14845	1.7
227.03307	2.9
245.04259	2.2
265.21735	1.2
293.21231	11.0
311.22275	85.6
312.22574	8.5
447.21429	2.0
539.26239	100.0
540.26544	16.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2528
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01259	0.9
61.98690	0.4
63.96096	1.3
69.03326	0.5
70.88290	0.6
71.01255	7.2
73.02820	1.3
76.85818	0.3
78.95787	0.4
78.98454	6.1
79.95605	9.6
80.96385	61.2
81.03345	0.9
85.02819	2.8
87.00743	3.5
92.67233	0.4
94.97956	16.3
95.01279	0.5
95.88655	0.4
96.95878	0.8
97.02823	1.9
97.62009	0.4
99.00780	0.5
101.02306	2.2
106.97969	3.1
122.97465	2.8
125.02344	2.9
134.97481	4.8
136.99010	1.7
148.99033	5.9
152.98537	4.7
158.59669	0.3
164.98532	11.3
168.57060	0.4
175.43546	0.4
188.98500	0.4
206.99619	1.8
225.00687	14.8
227.26976	0.4
239.20041	1.5
241.21698	0.4
299.04358	3.2
465.78897	0.4
466.28650	0.8
539.25287	100.0
540.25568	16.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2495
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03305	0.3
59.00965	0.5
59.01248	7.4
59.84175	0.2
61.40706	0.2
61.98707	1.0
67.41328	0.2
69.17815	1.9
71.01251	4.0
72.99148	0.2
73.02837	1.0
73.36875	0.2
75.00707	0.3
78.95776	1.9
83.01244	0.7
85.02831	1.1
87.00739	0.4
89.02307	3.0
91.52827	0.2
93.03387	0.2
95.01270	0.3
97.06444	0.6
98.20673	0.3
99.00772	0.4
100.31869	0.2
101.02319	4.2
104.55717	0.2
105.03376	0.4
108.77784	0.2
113.02328	2.4
119.03387	1.1
121.02841	8.5
123.04346	0.2
123.08022	0.6
125.09609	3.1
129.90977	0.2
133.06496	1.2
136.54208	0.2
138.24451	0.2
141.09067	0.2
143.03358	0.3
145.93150	0.2
147.08069	0.6
149.02287	0.4
152.99496	0.5
155.10579	0.2
161.04460	1.7
162.06755	0.7
162.55247	0.2
169.08488	0.2
171.10219	0.3
175.07590	1.9
177.05467	0.7
179.05524	0.6
188.08360	0.3
199.03952	0.2
211.13405	0.2
231.17487	0.5
253.09261	15.0
254.09578	0.8
259.16989	0.8
267.13831	0.2
275.16507	7.0
276.16895	1.1
285.15063	1.5
303.16000	100.0
304.16339	11.4
311.22156	0.4
397.67502	0.2
539.24579	2.2
540.27386	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	539.2283
Annotation	Sesquipinsapol B
Peak:m/z	Relative Intensity
59.01245	6.7
61.98701	3.0
69.30262	6.8
69.30669	2.0
71.01222	1.8
74.64400	0.9
75.00746	1.3
85.02839	1.2
88.81543	0.9
89.02272	1.1
93.03301	1.2
98.20563	1.8
108.02022	1.1
109.02798	3.1
121.02819	10.7
122.03588	2.3
123.04406	2.6
129.03305	1.3
135.04391	3.5
136.05150	1.4
141.01611	2.0
145.02838	1.9
146.03564	1.7
147.04384	7.4
149.05988	1.5
159.04453	1.7
161.05992	2.8
164.04611	1.3
165.05481	14.7
172.05118	1.6
175.07465	1.3
179.07042	4.4
209.06102	1.1
211.13338	1.9
225.05424	1.6
226.06314	1.1
227.07181	1.2
237.05492	2.3
238.06201	3.9
239.07034	3.7
243.06679	1.2
253.05121	1.4
253.08807	1.7
254.05756	5.3
255.06519	3.9
266.05762	5.7
267.06595	6.2
268.07312	3.5
269.05307	0.9
269.08170	6.2
270.08798	2.4
280.07239	2.3
281.08264	4.7
282.08847	7.6
283.09717	2.2
293.08282	3.4
294.08859	3.1
295.09744	11.5
296.10324	1.4
297.11273	1.8
309.11145	5.4
313.10739	2.7
314.08011	6.4
324.09903	2.1
325.10593	2.8
327.12439	2.9
335.22247	20.1
336.22812	2.0
339.12137	2.7
403.17493	2.3
443.14966	1.4
445.16394	2.8
449.16019	12.2
450.16241	2.5
463.17709	2.7
475.17868	2.8
479.17038	7.4
491.16971	11.2
492.17157	1.2
494.19373	8.3
495.19711	1.6
506.19427	7.8
507.19812	1.7
509.21756	89.9
510.22034	17.7
521.21765	100.0
522.22131	17.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.3067
Annotation	Integristerone A 25-acetate
Peak:m/z	Relative Intensity
56.36335	1.3
59.01249	100.0
60.01582	2.1
61.26092	1.3
61.98697	3.2
71.50233	1.2
72.72586	1.1
78.95778	2.0
96.95909	2.4
107.81223	1.5
109.06451	1.4
120.09332	1.2
128.44353	1.1
142.66858	1.3
171.10162	9.2
209.11707	2.1
211.13324	3.4
231.95615	1.4
242.42738	1.4
249.14899	4.9
275.26456	1.1
309.20538	2.2
403.24869	2.6
459.27335	8.9
460.27463	2.1
477.28595	12.4
478.28757	2.4
537.34161	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.3284
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	0.5
57.03318	3.1
57.94805	0.5
58.00448	0.6
59.01249	15.9
59.48954	0.4
61.98706	2.6
69.00011	0.5
69.03300	0.9
71.01250	6.9
71.50769	0.6
72.99131	1.2
73.02819	13.8
76.75108	0.5
79.19919	0.5
83.01224	1.1
85.02806	3.3
87.00758	3.8
87.04375	0.6
88.98627	1.1
89.02319	3.0
91.80947	0.5
95.01240	0.5
99.00712	1.2
101.02313	5.3
113.02334	2.9
115.00236	0.6
117.01722	0.5
119.03308	0.9
123.04344	0.6
125.02284	1.1
125.09588	0.9
127.11131	0.7
129.01788	0.7
135.04419	0.6
135.07977	0.6
137.02275	0.5
141.01752	0.6
143.03387	0.7
143.10619	0.6
161.04451	3.3
171.10112	0.7
175.02235	0.6
179.05533	23.8
180.05907	0.6
185.11794	1.0
199.13245	0.5
212.19467	0.5
269.21249	0.9
271.19098	0.7
275.66849	0.6
285.20798	0.9
311.22211	1.1
327.25247	1.0
329.23383	2.3
333.26334	1.0
357.26349	5.6
373.26035	1.8
374.26282	1.5
375.27478	100.0
376.27850	12.5
463.29037	1.3
474.20471	0.6
477.30707	3.6
495.31638	1.3
537.32813	25.7
538.33099	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	537.2704
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	100.0
61.98700	8.7
69.72842	1.1
71.51363	1.9
73.91957	1.1
74.17654	1.0
74.86037	1.1
78.95775	2.1
89.15562	1.1
107.02405	1.1
130.82715	1.0
184.88536	1.3
211.13403	2.0
215.66362	1.1
223.97597	1.1
315.19678	6.4
477.25037	8.7
478.25565	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	537.2469
Annotation	Kenusanone C
Peak:m/z	Relative Intensity
53.16005	0.6
59.01241	6.5
60.17501	0.6
61.98704	4.0
71.01254	1.8
73.02805	0.7
75.35520	0.6
78.95776	37.2
83.04890	0.5
85.02827	0.9
87.58745	0.6
88.44539	0.6
96.96844	2.9
97.06459	1.5
98.13384	0.6
99.05303	0.6
101.02322	1.1
110.88017	0.6
113.09606	2.4
115.07549	0.7
119.29456	0.5
126.06750	0.7
139.07547	3.7
141.09138	1.1
151.11069	0.8
152.99487	49.1
153.99794	1.3
165.12767	2.9
167.01068	0.5
167.10660	0.8
167.14310	1.9
171.00554	5.8
181.12270	4.4
183.13841	1.1
193.12256	2.1
195.13805	2.3
201.25069	0.7
209.11751	0.7
211.13306	4.1
221.15326	1.3
227.03220	4.8
240.13651	2.0
241.14253	0.8
245.04326	2.6
247.20619	4.4
263.20172	1.1
265.21732	1.4
273.18564	2.0
281.21170	1.6
291.19656	27.4
292.19864	2.8
309.20700	50.7
310.20984	4.2
445.19873	2.3
510.25919	1.9
537.24677	100.0
538.24969	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	537.2558
Annotation	Unknow
Peak:m/z	Relative Intensity
54.40096	0.9
55.35347	0.9
58.90331	0.9
59.01238	1.0
61.98702	73.4
64.72752	1.1
71.52023	1.3
78.95773	23.7
86.24526	0.9
96.96839	1.5
103.89748	0.9
140.01082	5.2
152.99477	6.0
196.03769	9.4
206.95245	0.9
214.04817	2.0
218.59465	0.9
255.23265	100.0
256.23593	13.2
279.23215	3.5
452.27811	46.9
453.28284	7.8
537.25507	20.0
538.25922	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	537.213
Annotation	Unknow
Peak:m/z	Relative Intensity
57.31321	1.1
59.00425	1.1
59.01254	2.4
60.11630	1.2
61.98702	2.8
63.48492	1.1
68.81468	1.1
71.51707	2.1
78.95744	1.5
81.03308	2.4
83.04907	7.4
93.03349	4.0
108.02062	2.0
109.02823	2.7
121.02848	15.9
122.03661	9.5
123.04416	4.0
133.02913	1.9
134.03642	5.8
135.04407	6.1
136.01552	3.8
137.02307	1.2
137.83929	1.4
141.00128	1.2
145.02817	1.7
146.03624	3.1
147.04401	4.6
149.02351	26.9
149.05989	3.6
150.03133	95.4
151.03934	10.7
159.04402	1.6
160.05212	1.5
161.05974	4.3
162.03104	3.4
163.03934	2.5
164.04701	6.9
165.05486	100.0
166.05836	6.4
171.04364	2.0
172.05283	11.3
173.05907	1.9
175.03940	1.5
175.07523	1.7
177.01944	2.0
177.05457	3.1
179.07021	2.9
180.04207	6.9
181.04993	6.2
187.07585	4.2
189.05545	4.6
190.06279	17.2
191.07135	1.7
195.06567	38.1
196.06863	3.9
199.18149	1.2
205.08659	19.6
243.17146	2.6
269.08072	1.4
270.09042	1.2
293.08200	2.6
295.09622	2.0
297.11349	1.9
305.08279	1.9
308.10410	1.8
309.11267	1.9
320.10178	1.7
323.09253	6.5
323.12671	1.6
326.11530	2.4
327.12430	9.5
337.10721	1.7
338.11609	2.8
341.13919	18.2
353.13751	2.4
359.14969	4.7
373.16519	6.6
458.93268	1.3
477.19022	3.7
489.19086	1.9
507.20230	50.1
508.20517	13.3
536.37042	8.6
537.21283	38.0
537.37286	11.2
538.21313	7.4
538.37610	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	537.2303
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15908	0.3
54.09813	0.3
59.01241	1.0
61.98700	100.0
62.98409	0.5
71.01270	0.6
71.50620	0.7
75.00761	0.5
78.95766	0.4
96.84228	0.3
107.04928	0.4
108.02057	1.2
109.02832	0.8
113.02338	0.6
119.04893	0.4
121.02834	2.0
122.03607	0.9
123.00756	0.8
123.04414	0.8
131.04982	0.4
131.76300	0.4
134.03615	0.4
135.04420	2.6
136.01540	0.8
137.02328	0.9
141.42276	0.4
141.43414	0.4
143.04953	0.4
145.02835	0.6
146.03633	1.5
147.04411	5.0
148.05150	0.9
149.02338	1.7
149.05991	0.4
150.03156	2.5
151.03889	0.7
158.03625	2.8
159.04416	6.3
160.05205	11.7
161.06000	6.3
162.03128	0.6
162.06618	0.5
163.03903	4.2
164.04659	3.8
165.05376	0.5
173.05995	3.3
175.04095	0.6
175.07552	9.0
176.04710	0.6
176.07933	0.8
177.05499	5.3
178.06300	2.4
179.03433	0.4
193.04915	0.5
209.06023	1.0
210.05086	0.6
211.07599	0.9
221.05981	0.8
222.06776	0.5
225.05522	1.1
225.09114	0.5
226.06194	1.2
237.05534	1.3
238.06357	3.0
239.07056	3.1
249.05524	0.8
250.06445	0.5
251.07025	0.9
253.05078	1.0
254.05894	2.8
255.06551	2.8
256.07233	0.5
264.08014	0.9
265.05157	0.8
265.08691	2.1
266.05856	6.4
267.06589	11.4
268.07272	1.4
269.08167	7.6
270.05560	0.4
270.08817	2.5
280.07434	0.5
281.05045	0.8
281.08170	14.5
282.08755	4.9
283.09741	1.2
284.10507	1.8
287.22177	0.7
295.05966	0.5
295.10034	0.4
296.07104	0.9
296.10367	0.6
298.04831	0.4
302.08011	1.5
305.08078	0.5
314.07922	2.9
315.08301	0.5
316.09579	1.1
328.09424	0.5
371.15176	1.4
372.16141	0.4
417.13251	0.8
429.13385	3.3
432.15732	1.0
443.14743	0.5
444.15924	2.8
445.16440	0.6
447.18335	2.0
448.17978	0.4
459.18591	3.5
462.16876	0.6
474.17078	2.6
477.12057	0.6
477.19153	39.1
478.19522	7.8
489.19177	57.8
490.19507	11.3
504.18094	0.4
507.20087	4.3
508.20526	1.0
519.20392	2.3
520.20514	0.5
537.29413	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01231	1.1
60.09120	1.1
61.12699	1.1
70.81341	2.0
82.63063	1.0
84.02018	1.2
85.02825	1.2
108.02038	4.4
109.02840	5.7
121.02822	3.9
122.03631	1.2
123.04421	4.9
134.03651	1.2
135.04390	4.3
136.01556	71.0
137.02229	3.7
137.03218	1.1
145.02818	2.0
145.06396	0.9
147.04419	2.1
148.05185	2.3
149.05971	1.4
150.03137	4.8
151.03915	57.8
152.04274	2.8
158.03653	1.4
159.04416	3.6
160.05171	2.7
161.05969	3.7
162.03088	3.4
163.03932	6.5
164.04550	1.3
165.01851	2.1
171.04359	1.4
172.05197	1.2
173.06006	2.1
175.03864	3.4
176.04659	3.5
177.05469	4.3
180.04173	1.8
180.98111	1.1
182.02089	2.9
185.05952	1.5
186.06793	1.0
187.03943	1.8
187.07529	1.7
188.04759	1.0
189.05504	5.7
190.06209	1.8
191.07155	2.2
193.05025	1.4
201.05533	1.5
203.07071	3.1
204.07883	1.2
212.03218	1.6
213.05588	1.1
215.07100	2.3
216.07849	1.0
217.08685	1.1
219.06773	1.5
264.07809	1.2
277.08652	1.5
278.05801	1.5
280.07339	1.5
281.08249	5.0
282.08774	1.0
283.06140	1.0
292.07254	2.2
293.08121	8.1
294.08798	2.1
295.09726	2.9
296.10544	4.2
301.10690	1.4
304.07278	1.1
307.09622	5.9
308.10489	8.8
309.07953	0.9
309.11179	5.2
310.08640	0.9
310.11942	3.6
311.09183	1.8
313.10583	1.5
321.11188	3.3
322.12015	4.1
323.09271	1.5
323.12769	2.2
325.10870	3.3
326.11484	2.7
328.09500	2.3
328.50009	1.0
331.11816	3.8
337.10696	2.7
338.11530	7.2
339.12070	2.6
340.09473	1.8
341.13974	2.2
353.13876	2.5
356.12643	1.5
368.12698	4.8
369.13364	4.0
371.15115	4.9
372.15594	1.1
383.15063	1.1
385.12680	1.3
386.13489	1.0
427.15573	1.5
429.13348	4.0
432.15677	2.8
443.14908	2.2
444.15686	6.8
445.16196	1.3
447.17914	5.2
459.18176	8.9
460.18433	2.0
471.18158	1.8
474.16702	1.8
477.19171	23.6
478.19449	4.4
489.19275	13.9
490.19583	2.6
491.21030	1.3
507.20221	100.0
508.20569	18.5
519.20300	5.4
520.20789	1.4
537.21277	97.6
538.21588	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	537.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01237	0.7
60.61145	0.8
61.98699	20.7
67.91108	0.9
69.87505	3.9
80.75371	0.8
95.04893	0.8
108.02083	1.2
109.02843	1.1
111.81478	0.7
121.02837	3.0
123.00752	1.0
123.04440	0.9
131.04921	0.8
135.04427	3.9
137.02319	0.9
143.04932	0.9
145.02855	1.1
146.03615	3.4
147.04436	6.6
149.02287	1.7
150.03157	3.7
158.03609	3.5
159.04417	8.5
160.05215	17.3
161.05984	10.0
162.06583	0.9
163.03920	7.6
164.04675	6.2
173.05984	5.1
175.03957	0.9
175.07553	13.8
177.05472	7.8
178.06190	3.5
179.03542	0.9
210.06882	1.1
211.07530	1.1
221.06065	0.9
223.07272	0.8
225.05400	1.6
226.06219	1.7
237.05548	1.8
238.06313	4.9
239.07008	4.3
249.05530	1.1
250.06195	0.8
251.07074	1.4
252.04550	0.9
253.05093	2.1
253.08626	1.1
254.05795	3.8
255.06493	3.8
264.07864	1.0
265.05096	0.8
265.08582	1.9
266.05792	9.4
267.06604	16.5
268.07132	3.8
269.08185	15.8
270.05566	0.7
270.08777	4.6
280.07281	0.8
281.05026	1.5
281.08170	29.0
282.08795	6.5
283.09598	1.9
284.10413	2.2
296.06995	1.2
296.10474	1.7
298.04651	0.8
302.08023	2.0
309.11069	1.3
314.08087	4.6
315.08054	1.0
316.09439	2.2
328.09528	1.4
371.14966	2.4
414.11020	0.9
417.13495	1.3
429.13217	4.8
430.13751	1.2
432.15646	2.6
444.15637	5.4
445.16321	1.0
447.01151	0.9
447.18521	4.0
459.18674	5.8
474.16641	3.2
477.19153	65.3
478.19492	12.9
489.19211	100.0
490.19540	17.8
507.20190	8.4
508.20575	1.3
519.20654	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	537.213
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04105	0.6
53.59900	0.6
54.30728	0.6
57.01530	0.6
59.01236	2.5
71.12710	1.4
98.74409	0.6
108.02064	0.8
109.02773	0.8
120.01141	6.8
121.02856	1.4
134.03613	1.0
135.04401	3.7
135.28105	0.7
145.02827	2.0
146.03616	1.4
147.04390	3.5
149.02344	1.0
149.05989	1.1
158.03682	3.9
159.04431	3.5
160.05202	5.0
161.05994	0.9
163.03915	3.7
165.05504	0.7
171.04311	1.5
173.05966	1.3
175.03926	3.3
176.04698	1.5
177.05525	2.8
178.06316	3.4
179.07030	0.8
187.03902	1.0
188.04608	1.0
189.05476	0.9
190.06364	1.4
197.05919	0.9
203.07123	1.6
206.05733	2.0
208.03641	0.9
221.08031	5.4
222.05229	2.5
231.07719	0.9
235.07520	1.2
235.69737	0.6
238.06308	1.0
247.07649	0.9
249.09157	1.0
251.07132	1.3
252.07715	0.8
253.08701	1.0
260.08685	0.9
261.05469	1.3
261.09152	0.8
262.06259	1.9
263.07208	1.5
264.07861	1.0
265.05170	0.8
265.08627	2.7
266.06036	1.3
266.09283	1.0
267.06680	1.3
267.10187	1.0
268.07446	0.9
273.05789	1.1
275.07117	2.3
276.07800	1.8
277.05292	0.7
277.08667	2.6
278.05701	1.1
278.09232	0.7
279.06628	1.5
279.10385	0.8
280.07367	6.8
281.08215	3.7
282.08984	0.8
283.09750	0.8
287.06934	1.3
287.22223	1.3
288.07898	1.6
289.05255	1.0
289.08676	2.7
290.06033	1.4
290.09537	1.9
291.06567	2.0
292.07297	2.6
293.08188	8.8
294.08902	4.5
295.09717	6.8
296.07010	0.9
296.10306	2.6
303.06570	1.0
304.07339	2.1
304.10818	1.3
305.08209	7.5
306.08899	5.3
307.09692	8.1
308.06857	8.3
308.10471	7.2
309.07593	2.3
309.11212	5.8
310.08578	1.5
310.12021	2.3
311.09253	4.2
312.09814	1.1
317.08145	1.6
318.08908	1.4
319.09723	2.5
320.10553	6.3
321.07770	1.1
321.11194	7.8
322.08405	3.7
322.12024	1.8
323.09225	35.8
323.12717	2.1
324.09711	5.7
325.10730	2.3
326.11414	2.0
334.08533	1.2
335.09250	8.5
335.12894	1.5
336.10022	4.1
337.10751	9.3
338.11548	20.5
339.12195	5.2
340.09445	0.9
349.10809	1.6
350.11551	12.1
351.12308	10.6
352.13004	2.1
353.10172	2.0
353.13956	2.8
355.11911	2.0
365.13864	2.1
367.11838	2.8
368.12317	1.0
370.10580	1.2
398.11835	0.8
400.11542	1.3
409.10663	1.0
412.13431	0.9
420.42560	0.7
424.13104	0.8
425.13715	1.0
427.11441	1.2
429.13455	2.2
432.16037	0.9
438.10556	0.7
441.13635	4.5
442.14194	1.3
443.14758	0.8
444.16037	3.2
446.17523	0.9
447.18549	1.4
453.13443	1.6
456.15857	2.5
457.16641	2.1
459.18011	3.0
471.14178	2.0
471.19043	1.3
474.16830	5.7
477.19226	13.4
477.34390	2.5
478.19431	2.3
486.16791	2.7
489.19199	43.8
490.19519	8.6
501.19156	8.6
502.19406	2.6
504.18008	4.4
505.18475	1.0
507.12466	1.1
507.20215	40.8
508.20526	7.7
519.20221	100.0
520.20526	19.3
537.20654	1.2
537.32629	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	33.3
61.98709	4.3
71.01257	27.3
71.49844	1.9
72.99183	3.6
73.02813	2.5
83.01257	2.1
85.02818	7.1
87.00748	3.1
89.02319	44.1
93.03329	3.4
96.95920	2.8
96.96838	1.3
99.00706	2.0
101.02336	18.9
108.02084	2.5
109.02843	2.2
113.02329	13.0
119.03390	20.9
119.04847	1.4
121.02840	4.7
122.03629	10.1
123.04416	2.9
129.01819	1.9
131.03389	3.0
133.02815	3.0
134.03622	1.6
135.04436	5.6
137.02316	1.6
139.03900	1.1
141.01862	1.3
143.03413	5.3
146.03636	1.7
149.02361	24.9
149.04308	2.5
150.03137	79.1
151.03754	2.1
161.04488	7.3
162.03105	4.6
163.03838	1.7
164.04688	5.6
165.05487	100.0
166.05856	6.2
166.46489	1.4
167.03375	1.3
175.02419	2.1
176.04749	9.6
177.01909	2.6
177.05486	4.9
179.03462	4.2
179.05525	18.5
179.07069	4.0
180.04282	7.4
191.07079	21.3
195.06563	82.4
196.06941	5.5
209.08189	3.9
212.52620	1.2
312.10046	3.7
325.70328	1.4
327.05234	1.4
327.08810	2.4
327.12402	24.7
328.12686	2.7
339.12473	2.8
345.13406	16.3
357.06039	1.6
375.14673	8.2
399.07263	1.3
447.09039	2.2
489.17538	2.3
537.19598	7.8
538.11310	1.5
538.19556	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91688	1.5
55.01743	2.4
57.03312	2.9
58.00469	2.6
59.01252	48.1
61.98719	2.9
71.01255	47.1
71.50427	2.6
72.01601	2.0
72.99178	4.7
73.02798	9.5
83.01269	4.1
85.02825	13.5
87.00755	6.1
88.87498	1.6
89.02316	41.6
93.03352	4.3
95.01259	4.1
99.00805	2.5
101.02336	23.1
104.16608	1.9
106.42503	1.5
113.02322	20.6
117.57402	1.7
119.03389	18.5
121.02848	7.4
122.03628	14.2
123.04436	1.8
125.02319	2.3
131.03471	2.9
136.01549	1.8
137.02415	3.0
143.03389	5.5
149.02354	77.4
150.03145	100.0
151.03596	4.2
159.02950	2.0
161.04430	13.9
164.04724	19.6
165.01758	2.1
165.05487	76.9
165.06880	3.8
166.05875	3.6
177.05537	2.2
177.22600	1.6
179.05586	20.8
179.07036	2.5
180.04221	3.4
191.37590	1.7
195.06569	40.1
283.09689	3.8
297.03671	2.4
312.10065	16.0
327.12381	83.4
328.12772	14.3
375.14444	2.6
415.11377	1.9
420.55594	1.8
447.08884	2.1
447.14386	3.0
489.17606	10.5
506.84891	1.8
537.20135	19.3
538.20654	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01236	5.7
61.31363	1.3
71.01244	6.4
75.00732	1.6
78.30656	1.6
85.02812	3.0
89.02306	5.4
93.03324	2.7
94.53832	1.4
98.20684	2.3
101.02314	4.0
101.31493	1.3
105.03292	1.7
108.02044	15.7
109.02865	8.7
112.65644	1.6
113.00515	1.6
113.02283	3.0
121.02852	8.2
121.03571	1.4
122.03635	10.3
123.04401	15.5
124.01525	1.7
133.02844	8.3
134.03616	5.7
135.04414	27.4
136.01567	9.0
137.02312	4.2
137.06091	1.4
145.02853	2.1
146.03607	8.3
147.04442	1.9
149.02332	21.2
150.03125	66.4
151.03911	17.5
153.01846	2.3
161.04582	1.9
161.05966	4.3
164.04668	11.3
165.05470	81.4
166.05844	4.0
174.03163	3.4
175.03943	7.8
176.04698	59.5
177.01820	4.5
177.05118	4.9
178.02611	4.9
179.03416	24.9
179.05511	3.0
179.07004	21.0
180.04041	5.3
181.04820	2.4
189.05510	2.5
190.06238	2.9
191.07050	100.0
192.07381	7.8
192.08968	1.5
193.05006	1.8
193.34822	1.4
195.06552	65.5
196.06879	3.4
205.08633	1.6
209.08110	13.3
229.67227	1.6
251.06958	3.0
267.06592	4.9
279.06573	4.5
281.07889	1.9
282.08908	4.5
293.08353	1.7
294.08768	2.5
297.07944	1.6
297.11169	6.7
298.33618	1.4
312.09937	9.2
315.12323	5.5
327.12335	69.0
328.12567	6.9
339.08768	12.6
345.13412	63.3
346.13828	8.4
357.13522	12.5
375.14441	26.2
376.14886	3.9
430.41772	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	535.3273
Annotation	Fungicide K 99-5278A
Peak:m/z	Relative Intensity
51.90929	2.0
51.92241	2.2
57.03329	4.3
59.01242	7.1
61.98717	2.5
71.04897	4.1
71.51620	3.6
75.45367	2.2
78.95759	2.8
80.96401	4.5
81.03315	2.5
94.97913	1.8
97.02806	7.0
97.06485	3.1
99.00750	23.3
105.48368	1.7
109.06464	4.4
125.09592	10.3
127.11177	4.6
128.03381	2.5
135.08131	2.0
142.02586	3.1
163.11168	9.2
165.12732	3.4
181.12262	30.0
183.10129	3.5
197.11739	2.8
199.13336	41.5
207.10193	51.4
208.10472	3.3
211.13152	2.0
215.75064	1.7
225.11263	93.3
226.11609	4.1
227.12708	2.7
243.12334	98.6
244.12642	5.5
291.19687	23.5
309.20676	42.5
310.21027	5.9
499.30951	3.1
517.31647	5.4
535.32678	100.0
536.32996	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	536.1041
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	37.7
65.00168	10.0
65.99705	7.6
69.03310	13.4
69.16007	52.0
69.16414	13.6
71.01254	34.1
72.99196	5.9
81.03332	8.2
83.01248	12.2
85.02824	15.1
89.02310	29.4
95.01258	14.3
97.02821	17.4
99.00765	17.6
101.02303	16.6
106.17249	6.6
107.01289	7.6
109.02831	35.6
111.00743	19.8
113.02309	13.1
113.29846	5.9
119.03413	7.0
121.02823	21.0
122.02357	9.6
123.00698	8.1
123.04369	13.3
125.02346	37.6
133.02802	24.3
135.00763	6.6
135.04352	10.2
137.02367	31.0
139.00241	16.4
139.03851	13.2
141.01843	15.7
147.02817	7.3
148.03935	11.4
149.02351	45.9
150.03134	53.6
151.00272	20.1
151.03894	21.0
153.01811	31.2
161.02339	10.9
161.04419	8.9
163.00299	13.8
163.03859	12.6
164.01006	6.4
164.03403	6.6
164.04710	11.0
165.01849	37.8
165.05482	52.9
166.02570	11.6
167.03354	21.1
173.02293	8.3
174.01839	8.3
175.03925	10.7
176.03441	13.3
177.01823	25.5
178.99802	14.9
179.03377	18.6
180.04298	8.2
181.01286	22.1
183.02896	21.5
188.03334	9.5
190.99663	7.0
191.03391	8.2
193.01309	41.9
195.06523	36.8
204.02963	7.6
205.01360	8.9
206.02029	7.5
206.04478	16.6
207.02911	12.1
209.00906	19.0
219.02876	8.9
221.00833	16.1
221.51318	6.1
223.02446	17.3
232.02425	20.6
235.02394	10.2
237.00194	7.4
238.07178	7.4
245.04300	5.9
247.02408	6.2
248.02144	8.1
251.01747	11.6
257.46393	6.5
267.01352	8.8
285.03894	14.4
297.03995	11.0
299.05591	10.1
300.02539	7.6
303.07214	11.8
312.09940	6.9
324.07001	8.7
326.08850	11.4
327.05084	17.0
327.12350	22.1
341.05020	8.6
343.04742	7.4
357.06210	14.1
358.11676	11.2
368.04187	7.7
384.07346	7.6
416.05936	17.1
447.09656	6.5
463.08710	17.9
490.09802	7.4
503.10526	6.6
504.16922	7.4
518.09338	17.9
536.10370	100.0
537.10754	14.3
537.18915	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	535.3125
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	0.7
56.44441	0.4
57.03320	0.8
58.00462	1.2
59.01254	21.0
61.98690	0.5
65.50503	0.4
70.76379	0.5
70.76696	0.5
70.92164	0.4
71.01256	11.4
72.99165	1.1
73.02829	2.0
78.95784	0.6
79.95579	0.3
83.01254	2.2
85.02818	2.9
87.00756	1.2
89.02324	6.3
95.01246	1.0
98.20264	0.6
99.00747	0.7
101.01700	0.6
101.02319	6.3
113.02321	3.1
119.03362	1.0
119.08553	0.4
152.99489	0.6
165.53012	0.5
171.10152	0.4
208.83183	0.4
293.25018	0.6
295.22775	6.7
296.23166	0.6
300.26920	0.4
311.22256	1.3
311.25909	4.0
312.26309	0.6
313.23853	36.3
314.24133	3.7
327.25430	0.5
355.24844	1.1
373.25864	0.9
455.30045	0.4
457.28009	1.9
473.31189	4.8
474.31824	0.6
475.29135	44.7
476.29538	6.3
517.30133	1.3
535.31219	100.0
536.31573	15.4
536.39764	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.3128
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03308	0.9
59.01250	14.0
61.98699	31.7
70.07381	2.7
71.01250	8.2
72.94330	0.5
72.99175	1.0
73.02811	2.0
78.95764	2.1
83.01224	1.0
85.02818	3.4
87.00741	0.9
89.02338	3.3
99.00774	1.2
101.02317	4.8
113.02303	2.2
114.05450	0.7
119.03390	0.8
125.09638	0.7
138.14308	0.5
152.99469	1.5
171.10138	0.8
227.31506	0.6
249.14958	0.9
293.24939	3.4
309.24362	5.7
311.25864	8.5
313.23767	1.0
327.25354	13.6
355.24863	4.2
373.25906	8.5
374.26486	1.1
415.26837	1.1
473.31244	2.9
475.28827	1.0
489.30688	6.0
490.30893	1.4
503.31360	0.9
517.30200	1.6
535.31189	100.0
536.23889	1.2
536.31555	14.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.3119
Annotation	Antibiotic BU 2867TG
Peak:m/z	Relative Intensity
57.03324	1.1
58.00452	0.8
59.01248	24.2
60.01597	0.5
61.98698	5.3
63.55730	0.5
69.29089	1.1
69.29492	3.6
71.01250	8.3
72.99170	0.7
73.02812	2.8
78.95781	0.5
83.01247	2.1
83.04881	0.9
85.02822	4.0
87.00738	1.4
87.50014	0.5
89.02326	3.5
96.95901	0.4
98.20525	0.8
99.00758	0.9
101.02318	6.1
113.01614	0.5
113.02339	2.4
117.97209	0.9
119.03382	1.2
125.02346	0.5
132.54364	0.5
161.04442	1.1
179.05481	0.7
212.99341	0.5
221.06656	0.5
293.24811	2.1
295.22702	1.5
309.24341	2.8
311.22437	1.1
311.25845	7.9
312.26318	0.5
313.23834	16.3
314.24197	2.2
327.25360	9.5
328.25797	1.2
331.24994	1.1
355.20825	0.6
355.24796	2.5
356.25323	0.6
373.25909	7.9
374.26324	1.0
387.73608	0.5
473.31232	2.2
475.29034	8.9
476.29462	0.9
489.30606	3.7
490.30984	0.8
493.30057	1.8
517.30005	2.2
530.72156	0.5
535.31195	100.0
536.31384	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	535.2787
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78839	1.0
55.01760	7.1
57.03320	6.9
58.00461	3.5
58.02854	1.3
59.01253	49.7
61.98720	1.5
63.26829	0.9
67.01775	0.9
69.03316	1.5
69.43051	7.0
71.01256	100.0
71.83091	0.9
72.01595	1.5
72.99183	5.0
73.02822	27.1
74.02349	4.9
75.00731	2.8
76.89901	0.8
83.01255	15.9
85.02825	47.6
86.02340	1.6
87.00741	5.9
87.05527	1.0
89.02314	22.4
95.01268	7.7
97.02824	3.9
99.00766	12.2
99.05502	2.8
101.02327	70.0
102.02645	2.2
102.59072	1.0
107.27641	0.9
109.02843	1.4
111.00764	2.9
113.02332	45.1
117.43931	0.9
119.03395	9.9
125.02338	5.6
128.03419	11.5
128.57581	1.0
129.01822	2.1
129.03764	3.1
131.03377	1.6
136.01566	2.0
136.04987	1.1
141.06609	1.1
143.03383	6.6
143.04509	13.3
144.04836	3.2
149.04436	1.2
151.03905	1.5
153.06592	1.5
159.02898	7.0
160.00650	3.0
161.04469	44.9
162.04799	1.0
163.04002	1.2
166.02623	1.2
177.03329	1.7
179.03229	1.1
179.05501	3.6
179.06989	1.7
181.05003	2.9
182.80655	1.0
204.86353	1.0
205.03357	2.0
210.08810	2.1
211.17055	1.5
221.06628	3.9
254.07870	2.5
255.08153	1.3
272.08713	4.6
273.09201	3.8
297.07523	1.1
304.06064	0.9
306.07687	18.0
307.07922	18.6
308.07333	3.7
343.11890	1.1
353.06503	1.7
355.07324	3.2
373.12711	4.3
373.22293	35.5
374.22510	4.0
385.08353	1.9
411.62827	1.1
417.21310	1.9
445.09949	2.0
502.14404	1.0
535.13586	13.1
535.27588	87.1
536.14246	1.4
536.27911	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	535.2758
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	5.6
55.68298	0.3
57.03325	5.9
58.00474	1.6
59.01250	38.4
67.01759	0.4
68.41155	0.3
68.99677	0.6
69.03329	1.1
69.16074	1.4
69.16502	2.0
71.01253	100.0
72.01596	1.5
72.99181	3.5
73.02817	29.8
73.80470	0.3
74.03165	0.3
75.00751	1.7
81.03337	0.6
83.01257	14.4
84.02055	0.5
85.02821	46.1
85.99978	1.6
86.03164	1.0
87.00749	4.6
89.02316	26.5
95.01263	8.0
97.02833	2.7
98.20609	0.7
99.00758	14.1
101.02321	71.1
102.02666	1.3
111.00755	2.2
113.02329	44.1
114.02688	1.4
119.03387	11.8
125.02351	2.2
129.01811	2.1
131.03375	1.5
131.71411	0.3
139.00253	0.5
141.01828	0.5
143.03412	5.0
149.04456	1.1
159.02892	10.3
161.04463	36.8
162.04808	1.3
179.05524	4.7
187.35281	0.3
205.03494	1.4
234.24292	0.4
240.03552	0.4
373.22299	26.1
374.22501	3.2
417.21515	0.7
443.10126	0.6
535.27582	93.1
536.27954	16.2
536.36273	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01749	1.1
57.03312	2.2
59.01252	19.1
61.98688	2.3
63.96113	2.0
66.89507	0.8
71.01249	13.3
72.99164	2.2
73.02811	4.1
74.98942	1.2
75.00776	0.8
78.95741	1.5
83.01258	2.4
83.04873	1.7
85.02818	4.5
87.00739	2.5
88.72408	0.8
89.02304	7.6
95.01255	1.0
95.04875	0.8
95.96717	0.9
97.02845	1.7
97.06455	1.1
99.00710	1.8
101.02319	11.5
113.02346	4.1
115.00250	1.0
117.97182	5.4
119.03372	3.6
120.99576	1.6
121.02764	0.9
123.00755	2.8
124.01509	2.3
125.02293	1.0
127.03883	1.2
135.98294	5.0
137.02335	1.7
143.03384	1.3
143.04431	1.0
144.69234	0.8
150.03055	1.0
150.28412	1.0
159.02927	0.8
161.04514	4.5
165.12755	1.0
167.14331	1.3
171.10194	1.4
172.60417	0.8
179.05496	1.9
183.13826	33.4
184.14084	1.8
211.13329	83.8
212.13692	6.3
253.09213	5.5
255.12349	4.5
285.04172	1.4
298.03494	2.3
309.03958	0.9
355.11838	1.1
373.13077	6.1
373.21918	1.4
373.25833	2.5
374.13654	1.2
415.22787	1.2
445.16257	1.8
491.21317	100.0
492.21701	12.7
494.28247	0.9
535.19989	1.2
535.27441	3.4
535.30444	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	535.1974
Annotation	Lappaol A
Peak:m/z	Relative Intensity
52.57061	1.3
59.01235	4.2
61.98710	1.7
64.58720	1.4
91.35978	1.6
98.19763	2.6
108.02056	14.8
109.02828	4.2
111.00745	1.6
121.02823	5.7
123.00771	2.4
123.04401	13.8
135.04405	6.6
136.01550	59.8
137.02295	6.0
138.03084	2.2
145.02751	2.8
146.03532	2.2
147.04395	1.9
149.02292	4.3
150.03108	6.6
151.03908	57.5
152.04181	3.2
159.04440	3.1
160.05135	2.5
161.05974	5.1
163.03825	4.3
164.04691	2.1
165.05498	3.1
172.05246	2.8
173.05949	4.4
174.03099	1.5
175.03899	7.0
176.04590	4.4
177.05418	5.4
187.03891	2.1
189.05441	7.2
190.06284	6.5
191.07043	2.9
193.04953	5.9
201.05513	1.8
205.04919	1.6
205.08644	3.1
225.05553	2.6
237.05472	1.7
241.05151	2.3
251.07327	1.9
253.05058	4.2
255.06717	1.5
265.05063	2.0
267.06705	1.7
268.07269	1.4
269.04565	6.7
279.06534	3.3
280.07352	4.1
281.04507	16.9
281.07965	5.0
282.05173	1.8
284.06821	5.7
293.08173	2.1
295.09601	2.5
296.06790	13.5
296.10184	2.5
297.07416	2.7
299.09229	7.8
309.07523	2.0
311.09225	16.2
313.10834	1.9
321.07748	3.0
323.09109	2.0
324.10004	3.2
335.09171	2.3
336.09842	5.3
337.10416	1.7
338.11368	2.2
339.12296	6.8
355.11874	4.0
356.12448	3.7
396.08978	2.0
399.14380	16.7
400.14493	2.9
427.11780	4.0
430.14481	2.1
442.13943	3.0
445.12189	1.7
457.12451	4.7
459.13885	2.7
460.15060	1.7
469.16946	1.9
471.14215	2.4
472.14856	4.7
472.20972	1.7
475.17889	25.0
476.17621	3.3
485.16275	1.8
487.18423	23.1
488.17981	2.9
499.17242	3.7
502.16229	11.6
503.16223	1.7
505.18640	56.0
506.19174	9.6
517.18555	100.0
518.18994	16.6
535.19257	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	535.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
54.13176	10.4
59.01247	27.6
60.17772	10.2
61.98690	17.2
71.51409	11.3
71.51849	10.3
71.74957	10.1
75.00712	12.8
76.59230	12.2
78.74064	10.1
98.33521	9.2
101.02290	16.2
108.02035	30.1
121.02792	14.3
177.01877	15.0
177.05460	18.9
178.06250	14.8
181.74918	12.3
191.07054	15.2
203.07092	39.5
221.08107	43.6
222.89883	10.1
229.42905	10.6
248.04884	11.5
279.42087	10.4
290.05576	15.1
313.23700	13.2
322.08511	21.5
323.09302	39.7
337.10785	29.8
338.11578	17.0
381.13419	71.6
382.13342	14.7
391.64890	12.9
392.40784	14.2
427.11731	37.9
439.11987	24.3
442.13840	18.5
445.16693	23.5
455.14404	13.4
457.17175	74.7
469.17105	53.0
475.17529	47.2
475.28964	27.2
487.17807	54.6
488.18237	16.7
499.17609	39.8
500.17780	12.3
505.18668	42.1
509.83990	11.0
517.18719	100.0
518.18738	22.3
535.31549	73.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
54.91073	2.4
58.16995	2.2
63.71878	2.6
69.31329	8.2
69.31744	15.0
101.44264	2.7
108.02071	15.0
117.97157	2.7
121.02835	12.4
123.04417	9.4
134.03621	3.9
135.04442	5.0
145.02838	8.5
146.03693	6.3
147.04472	5.8
148.05200	4.3
149.02415	3.6
149.05977	6.1
154.12343	2.6
158.03613	3.2
159.04443	10.0
160.05183	21.3
161.05954	4.9
163.03928	5.2
164.04683	4.0
174.03146	4.4
175.03934	7.1
176.04645	8.8
177.05493	11.7
178.06241	20.8
185.02271	3.1
187.03978	4.2
188.04677	11.6
191.07071	22.0
194.92653	2.5
203.07065	21.9
206.05725	14.9
210.05287	9.0
221.06119	5.6
221.08124	43.1
222.34015	2.9
236.04622	3.0
237.05467	3.9
238.06102	3.6
240.04372	3.5
249.05495	5.7
261.05545	7.0
262.06461	4.5
262.22604	2.5
263.07047	3.6
264.04153	3.4
265.05029	4.2
265.08829	3.8
266.05811	4.4
275.07120	3.5
276.08133	3.4
277.05066	9.4
277.08371	3.6
278.05768	7.3
279.06473	6.1
280.07285	9.0
281.08234	5.8
283.09882	6.4
287.07043	3.4
288.08182	3.3
289.05057	7.7
289.08524	3.2
290.05911	4.3
292.07419	4.3
293.08203	13.0
294.09106	8.5
295.09622	4.8
304.07343	5.5
305.08215	10.7
307.09680	3.9
308.06903	6.1
308.10318	2.7
310.08279	3.5
311.09225	8.4
319.09680	4.2
321.07626	5.2
321.11258	2.8
322.08359	12.8
323.09232	35.8
324.09659	5.0
337.10770	25.9
338.11636	15.2
351.08862	3.9
354.10928	3.3
363.12506	4.9
365.10245	3.2
366.10959	9.9
367.10355	3.9
379.09836	4.1
380.10245	3.4
381.13440	68.8
382.13669	9.0
393.13687	2.8
394.08469	3.0
395.09320	4.0
396.09970	6.3
397.10751	3.3
398.04373	2.7
398.11349	2.6
399.12341	4.1
407.09274	4.2
409.10919	5.1
411.12646	5.2
412.09387	5.7
413.10114	6.1
415.11673	7.2
423.12460	4.0
424.09363	6.2
425.10034	5.5
427.11819	23.7
430.14301	5.2
436.09647	3.5
439.11826	27.8
440.12384	11.0
441.13416	10.2
442.14999	14.0
443.14761	4.9
445.16998	20.5
446.16803	4.7
454.14749	13.4
456.15515	4.2
457.17136	74.3
458.17514	14.0
459.18161	4.8
460.15573	3.1
469.16794	71.2
470.17313	12.4
471.18463	13.3
472.15094	8.3
475.17697	25.7
476.18268	5.7
481.16629	10.1
484.15384	9.9
487.17673	72.8
488.18045	12.8
499.17642	63.6
500.17917	10.2
505.18497	18.7
517.18652	100.0
518.18988	20.6
538.20612	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	535.1935
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64772	0.6
55.01744	0.9
57.03312	1.2
58.00451	2.4
58.02838	2.0
59.01253	46.0
61.98705	1.2
68.99696	0.8
69.20537	6.9
71.01257	31.3
72.99191	3.6
73.02832	3.2
74.02342	3.6
74.98977	0.8
75.00758	1.0
79.51778	0.6
83.01247	2.8
85.02833	8.1
86.02353	1.4
87.00755	2.5
89.02319	35.0
95.01265	2.7
95.35620	0.7
97.02853	0.9
99.00728	1.6
99.05547	3.5
100.05878	0.9
101.02327	19.9
104.04954	3.2
106.06493	3.3
108.03763	0.7
108.04430	4.3
109.02898	0.6
113.02337	12.4
119.03405	12.7
122.06034	1.4
124.67171	0.6
125.02362	1.3
127.03914	1.6
127.05005	0.8
128.03426	10.6
129.03767	2.7
131.03337	1.4
132.04456	36.0
133.02864	0.8
133.04755	1.4
134.06018	24.7
135.04402	0.7
135.06355	0.8
141.06604	1.1
143.03450	1.1
143.04518	13.4
143.05585	1.2
144.04767	2.3
146.04517	2.5
148.03917	2.2
149.04384	1.1
151.04042	0.7
152.07074	2.3
152.38695	0.6
158.02370	1.1
158.06046	3.6
160.00648	3.5
160.03957	1.5
161.00999	1.4
161.04483	2.4
163.06013	0.6
167.04555	0.6
175.02515	1.1
176.03462	8.2
177.03569	0.6
179.04346	1.4
179.05571	2.2
180.04875	1.2
185.05569	0.7
188.03429	3.3
190.04956	5.9
208.06154	1.0
210.08792	2.9
211.08968	1.1
227.12117	0.7
236.09262	0.7
251.11797	5.0
254.07822	2.5
255.08275	1.3
255.11349	2.8
267.11496	0.8
272.08893	4.0
273.09174	2.5
279.11383	17.6
280.11694	1.6
284.18204	0.6
288.06573	1.0
288.12265	0.6
289.06836	1.2
295.10828	3.4
299.08307	0.8
306.07678	16.6
307.07944	16.0
308.07309	4.0
311.05396	0.9
314.12421	2.8
323.10336	9.5
324.10822	1.4
325.06812	0.8
337.11935	1.8
353.06607	1.9
354.06961	0.9
355.07294	1.4
373.22528	0.9
385.08188	1.1
431.17984	0.9
435.17664	4.9
436.17719	0.8
459.17780	18.0
460.18134	3.0
473.10931	0.7
475.17072	3.8
475.37079	0.6
503.16736	100.0
504.17099	15.0
517.18323	7.6
518.19104	1.3
535.12872	6.2
535.19604	8.8
535.27728	6.1
536.19800	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.182
Annotation	Phellavin
Peak:m/z	Relative Intensity
51.82597	3.0
52.78373	2.6
58.99480	3.3
59.01245	40.9
59.58541	2.8
71.01253	22.4
71.50993	4.2
85.02825	5.0
87.00778	3.4
89.02314	26.6
96.95894	23.2
101.02328	14.1
102.98457	24.1
109.02844	4.4
113.02314	10.3
119.03368	12.2
121.02873	8.2
134.03636	11.7
135.04352	2.9
136.01566	26.1
137.02322	9.7
138.03116	4.0
146.03621	10.7
147.04460	3.5
149.02377	4.6
149.06021	5.1
151.03932	37.8
152.01031	6.9
160.01585	3.7
160.05136	4.3
161.04535	5.1
161.05904	6.5
162.03133	3.7
163.03908	3.3
164.04674	16.3
167.03464	4.7
174.12807	3.1
175.03868	8.6
177.05489	3.7
178.02603	8.9
179.03352	4.0
179.05499	5.7
179.07004	28.5
192.04256	4.5
193.04965	29.4
207.06572	8.0
235.05974	4.0
239.72983	3.6
283.04996	3.3
297.22943	2.8
325.10922	6.6
355.11844	33.7
358.10449	17.1
373.12915	100.0
374.13098	7.2
493.23209	4.5
535.18176	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	534.2554
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38366	0.3
51.61951	0.3
59.01253	2.6
61.98701	100.0
62.52597	0.3
62.98407	0.3
69.70795	0.8
69.71230	1.2
71.01266	0.7
73.02818	0.3
78.95792	0.5
85.02838	0.5
96.95887	0.4
101.02341	0.5
113.02386	0.3
119.04903	0.5
185.44142	0.3
201.69456	0.3
276.81772	0.3
276.91135	0.3
292.02832	0.3
302.91269	0.3
485.06863	0.4
534.34180	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.281
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98692	1.7
70.79257	0.7
70.79566	1.0
78.05209	0.6
78.95770	30.9
94.76197	0.6
100.62801	0.6
121.99973	0.9
140.01065	6.0
152.99466	6.0
176.15744	0.7
180.01257	0.6
180.90060	0.9
196.03711	11.8
196.89436	8.4
197.04204	0.6
197.89444	5.3
198.89426	1.0
214.04800	2.1
215.37244	0.6
240.76437	0.6
255.23264	100.0
256.23575	9.4
256.26059	0.7
275.77808	0.6
297.76544	0.6
324.94940	0.7
452.27811	55.0
453.28296	6.1
534.15680	1.3
534.27399	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	534.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80361	0.4
57.03300	0.8
58.00455	0.9
58.02845	6.2
59.01247	19.7
61.98686	0.7
64.21988	0.4
66.03323	0.8
67.56778	0.4
70.02832	0.5
70.51005	0.4
71.01249	14.6
72.00750	1.1
72.99147	1.6
73.02787	1.6
74.01936	0.7
74.02339	11.9
81.04430	0.7
82.02826	1.9
83.01252	1.1
83.02377	0.4
83.36646	0.4
83.41106	0.3
84.04418	0.5
85.02826	3.7
86.02343	4.9
86.05985	0.8
86.98944	1.2
87.00716	1.1
87.05501	2.5
89.02313	12.5
90.00046	1.4
95.01245	1.2
95.02314	0.5
96.04363	0.4
97.03930	1.6
98.02319	0.6
98.19799	0.9
99.00755	0.7
99.05519	10.1
100.00216	0.4
101.02319	8.8
101.07076	2.2
102.05452	1.4
104.04919	1.1
106.06491	1.1
107.06021	0.6
108.04405	1.8
109.03933	1.8
109.07585	0.6
111.00750	0.5
111.05469	1.0
112.03894	1.5
113.02336	4.9
113.03445	0.6
116.01603	0.9
117.03294	0.9
119.02596	0.5
119.03385	5.4
119.04816	0.4
120.01131	0.8
122.05941	0.5
123.05517	0.9
124.03905	1.1
124.07523	0.4
125.02483	0.4
125.03415	1.3
127.03835	0.5
127.04977	1.8
128.03429	31.5
129.03764	0.8
131.04510	0.5
132.04451	15.5
133.02873	0.7
134.06007	11.3
135.04547	0.7
135.05505	3.4
137.07066	0.5
141.06625	2.5
143.04526	43.7
144.04704	0.8
145.06064	1.7
146.04491	4.0
147.04515	0.5
148.03905	0.6
149.04480	0.9
152.07068	1.3
153.06599	2.7
158.02382	0.8
158.06015	1.7
160.00650	11.9
161.00883	0.4
161.02383	0.8
161.04451	1.4
163.03822	0.7
166.09711	1.9
167.04544	3.0
167.08173	1.9
170.03275	0.5
171.04028	0.5
175.02434	0.4
175.03928	0.6
176.03412	3.7
177.03310	4.7
177.05449	0.4
179.04472	7.3
181.06039	1.2
184.10847	0.5
185.05626	1.4
188.03398	0.7
190.05057	2.6
192.07793	0.7
197.05557	1.2
198.08609	0.7
199.07161	0.4
202.05013	0.5
209.11717	1.4
210.08784	8.5
211.09052	0.6
217.05008	0.5
228.09744	0.5
236.06676	0.6
242.07765	0.9
251.11858	2.3
254.07790	10.1
255.08205	0.8
255.11272	1.1
267.11465	0.6
272.08871	19.7
273.09207	1.1
279.11343	7.4
284.06613	0.8
288.06592	6.9
289.06943	0.6
295.06015	0.6
295.10855	1.5
296.06573	0.9
297.07578	2.4
298.08011	3.1
306.07635	100.0
307.07968	7.6
310.08276	0.5
311.05753	0.5
311.10248	0.8
314.12393	1.2
323.06607	0.7
323.10342	4.2
324.05896	1.5
325.07162	0.9
326.07578	1.1
328.05945	0.8
329.06183	0.7
336.05774	0.5
338.07327	0.5
353.06516	2.9
354.06992	6.9
355.07553	0.8
366.07101	1.4
383.07736	1.9
384.08072	5.4
385.08258	0.6
396.07928	0.8
414.09198	0.8
426.09494	0.5
435.17886	2.2
438.09811	0.4
444.10159	3.8
456.10571	0.5
457.26358	0.5
459.17697	7.4
473.10675	0.7
474.11121	1.6
475.16772	0.8
503.16690	49.3
516.12476	0.5
517.18054	3.3
534.13422	27.7
534.21252	3.9
535.12799	3.5
535.19806	4.6
535.27686	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2969
Annotation	fatsicarpain B
Peak:m/z	Relative Intensity
55.01751	0.8
56.62337	0.3
57.03307	0.8
58.00449	1.0
59.01252	18.3
60.01590	0.5
61.98711	0.5
66.92706	0.3
68.28311	0.3
68.80564	0.3
70.98666	0.7
71.01257	10.5
71.04887	0.5
72.99192	1.1
73.02816	3.4
83.01247	1.3
85.02825	3.4
87.00748	0.9
89.02319	5.6
95.01266	1.3
97.06511	0.8
99.00765	0.7
101.02328	5.6
113.02330	3.0
119.03410	1.8
123.07994	0.6
125.02296	0.4
125.09605	2.0
129.46404	0.4
133.14908	0.3
137.09612	0.5
141.09129	0.4
141.12691	0.3
153.09128	0.5
155.10690	0.6
161.04424	0.6
171.10176	4.6
180.58374	0.3
185.11691	1.1
197.11723	0.9
200.10486	0.4
215.12758	0.3
265.17969	0.7
281.17609	0.5
291.23389	0.4
309.24304	0.6
311.22189	1.5
323.22113	0.4
335.22235	0.5
341.23355	2.4
353.23364	5.8
354.23456	0.6
364.34930	0.3
371.24353	13.8
372.24744	2.3
390.18951	0.4
471.29666	0.4
473.27664	1.5
515.28711	2.2
516.29022	0.5
533.29669	100.0
534.29974	17.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2597
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21003	12.0
54.95872	14.2
55.84839	12.4
59.01242	58.8
61.06174	12.1
61.98700	31.2
71.01249	15.5
75.95158	13.6
191.05585	23.6
195.06581	12.4
447.25851	36.1
489.27084	100.0
490.27579	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	533.1877
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01768	0.8
57.03305	1.7
58.00473	0.9
59.01249	13.7
61.98691	1.6
65.03816	0.6
67.01777	0.9
68.99686	1.2
69.03318	1.9
69.16371	5.3
69.16779	1.5
71.01250	6.6
72.99186	0.7
73.02827	3.6
75.00716	1.1
81.03326	8.6
83.01262	6.6
83.04899	1.4
85.02802	3.0
87.00724	0.9
89.02300	3.2
93.03328	1.8
95.01255	2.1
95.04905	6.0
97.02837	4.4
98.19843	1.3
99.00751	1.0
99.04420	3.2
99.08071	0.8
101.02327	3.9
101.05949	1.9
102.98484	3.5
107.04907	1.8
108.02063	1.0
109.02861	3.2
109.06484	1.4
111.00782	0.8
111.04370	2.3
113.02321	3.8
119.03361	1.2
119.04893	1.3
121.02845	3.4
121.05064	0.5
122.03600	0.7
123.00764	1.3
123.04411	10.3
123.08021	1.4
125.02341	11.4
125.05978	11.1
127.07579	0.7
129.01862	0.8
134.03618	0.8
135.04451	3.2
135.08040	1.1
136.05232	0.8
137.02339	4.7
137.05977	2.9
137.09647	0.9
139.03941	4.3
141.09106	1.1
145.02777	0.8
147.04428	2.3
149.09654	0.8
151.03925	3.5
153.05501	1.6
155.03368	1.1
161.04492	1.5
163.03859	2.3
163.07596	1.4
164.04593	0.7
165.01880	1.5
165.05484	2.8
165.09116	9.2
166.02518	1.3
167.03410	19.3
167.06963	0.8
171.17456	0.7
174.84090	0.6
177.05577	0.6
177.09126	1.9
179.03476	3.2
179.05531	2.5
179.10681	3.8
180.11021	0.8
181.04979	1.9
181.06427	0.7
181.08604	3.5
183.10295	1.1
185.40579	0.6
189.01924	0.8
191.03496	1.0
191.10637	1.2
193.01286	0.7
193.05032	1.1
193.08603	1.1
193.12215	0.6
197.04449	3.2
203.10782	1.0
205.05275	0.7
205.08629	2.1
207.06563	2.7
207.10214	2.0
209.04507	20.8
209.08060	10.1
209.11795	0.7
209.15527	1.8
210.04834	0.7
210.08531	0.9
212.44792	0.7
219.10167	0.9
221.08136	6.2
221.11655	0.8
222.01628	0.8
222.08675	0.8
223.06059	0.7
223.09639	0.7
225.05513	4.7
231.10246	1.6
235.09718	3.9
239.05573	8.6
239.09241	0.9
247.09900	1.0
249.11386	1.3
251.09235	20.7
252.09560	1.3
263.09235	10.7
264.09686	0.8
265.10840	1.1
269.06787	1.4
275.09238	1.8
277.10815	2.9
281.10260	6.1
290.07944	1.2
291.08606	0.8
293.10306	100.0
294.10681	9.0
297.13470	0.8
305.10281	4.9
307.11908	0.7
323.11343	68.1
324.11746	5.9
335.11465	3.6
353.12387	19.5
354.12753	1.3
365.12427	1.4
371.24301	2.2
395.13492	6.1
396.13733	0.7
413.14474	12.5
414.14529	1.0
425.14606	5.7
443.15704	2.4
444.16873	0.7
489.23260	1.5
515.17627	0.8
523.90466	0.8
533.11938	1.4
533.18878	7.3
533.29895	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	533.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93723	1.5
55.60191	1.6
59.01247	12.4
61.98692	1.8
63.33303	1.6
70.35923	6.2
71.01231	2.0
75.37282	1.7
85.02808	2.5
101.02305	3.2
108.02046	5.8
108.64899	1.8
117.65104	1.7
119.04893	3.2
123.04405	1.8
132.40659	1.6
145.02805	1.8
147.04433	8.1
157.07007	1.7
162.03143	4.8
163.03871	7.6
168.08244	2.1
168.43002	1.8
175.02525	3.2
175.03926	39.7
176.04695	51.0
177.05409	4.3
189.05556	2.6
190.06236	6.0
204.04210	20.3
208.03679	14.3
218.05730	4.1
219.06564	59.0
220.06955	3.3
222.05272	11.7
241.04739	1.6
249.05533	3.3
250.06244	1.7
251.03468	2.3
251.07234	1.9
253.05090	3.2
261.05502	2.3
263.07303	2.0
264.07928	2.0
265.05069	3.0
275.06689	2.3
276.04211	2.4
277.05069	7.1
278.05804	7.3
278.16614	2.0
279.06467	3.2
280.07117	2.2
281.08008	2.3
289.04922	5.0
290.05240	1.9
291.06677	2.4
292.07364	7.3
293.08322	4.0
303.06674	3.4
305.08041	3.0
306.05298	4.4
308.06775	2.0
309.07611	2.8
319.06064	2.2
319.09680	1.8
320.06870	9.1
321.07620	20.9
322.07990	2.5
333.20801	2.4
335.09305	10.9
336.09909	7.2
339.10056	2.4
348.06842	2.2
349.07361	3.0
363.08640	5.3
364.09445	6.9
367.09476	2.4
379.12009	17.8
380.12143	3.1
383.09180	2.4
391.11807	5.0
395.09097	4.7
407.09274	2.9
412.09024	4.0
423.09106	3.2
424.09268	3.6
425.10065	4.5
426.11023	2.2
429.24768	4.8
436.09363	2.1
437.09500	2.4
438.10837	2.9
439.11774	6.4
440.08957	6.6
441.08832	2.2
443.11346	9.6
447.25821	12.2
452.08786	4.7
455.11322	28.6
456.11603	3.9
457.12732	4.4
458.13654	10.3
459.14297	2.4
467.11279	11.9
470.13654	15.0
471.14078	5.7
472.15128	2.2
473.16147	27.5
474.16248	5.1
482.13745	9.8
483.14151	2.9
485.16055	57.1
486.16486	9.6
487.17749	2.7
489.27060	13.6
497.16083	25.9
498.16559	5.2
500.14630	6.0
503.17123	42.4
504.17398	7.9
515.17084	100.0
516.17426	21.0
533.18042	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	533.1664
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75757	1.2
59.01254	6.7
61.98669	1.4
70.73209	3.2
71.01242	3.8
79.41948	1.2
80.93906	1.4
85.02796	1.4
93.99480	1.3
94.79129	1.3
101.02293	2.0
116.25047	1.3
118.98014	1.2
119.04932	1.3
121.02860	10.9
123.04425	1.9
135.04427	1.2
145.02838	4.5
147.03290	1.1
147.04393	7.2
148.05226	6.4
162.03119	1.8
176.04678	2.9
180.04086	1.6
191.03421	10.2
191.07056	15.5
192.04138	4.4
193.04997	1.6
194.05707	3.2
206.05728	2.3
207.08141	1.9
209.06113	2.0
209.08009	1.8
219.08101	1.6
220.03682	4.3
221.05960	2.0
222.06660	2.4
223.07562	4.2
224.03027	2.0
224.08102	1.5
234.06917	2.0
235.05974	3.9
237.05450	2.9
237.08957	1.7
238.04407	6.1
238.06705	2.3
239.07088	7.8
248.04761	2.0
249.05563	4.4
250.06247	5.6
251.07117	18.0
252.07593	2.5
253.08673	1.7
261.05594	2.5
262.06335	2.9
263.07019	7.9
264.07809	6.7
265.04929	2.4
265.08728	2.6
266.05844	12.6
267.06604	38.9
267.09515	1.9
268.07043	5.6
277.05023	3.2
277.08536	1.7
278.05951	3.5
279.06589	26.1
280.07092	2.9
281.08176	10.3
282.08969	21.1
283.09326	2.6
293.04651	2.0
293.08060	2.9
294.05310	23.9
294.08948	9.6
295.05991	9.3
296.06705	2.4
296.10501	2.8
297.11252	4.5
299.12891	1.5
307.06140	3.8
308.06799	2.5
309.07675	32.2
310.04898	2.4
310.08286	9.0
311.05557	1.9
321.07687	3.9
322.08423	7.4
323.05634	23.7
323.09128	3.5
324.05865	2.3
325.07001	4.1
326.07950	15.4
327.08691	3.0
327.12329	4.7
337.07172	4.0
338.07950	42.2
339.08231	5.4
340.09467	5.1
341.10284	81.1
342.10608	9.7
353.10291	100.0
354.10718	10.7
354.14484	2.1
355.07346	1.4
371.11319	74.3
372.11560	11.7
503.15500	2.1
533.16687	17.2
534.16693	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	533.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
58.21378	0.6
59.01240	1.2
71.01228	0.6
71.04255	0.6
71.04600	1.1
85.02821	0.7
87.00738	1.4
103.43354	0.6
108.02030	1.2
119.04859	0.6
121.02830	2.9
135.04463	0.6
145.02832	1.4
146.03650	0.6
147.04430	0.6
158.87921	0.6
160.05139	1.4
163.70786	0.5
173.02325	1.2
174.03131	4.1
179.05441	0.5
192.04176	1.4
195.08047	1.4
202.02664	0.8
206.07393	0.8
207.08061	2.9
209.05974	2.1
211.07465	1.8
214.02643	0.8
215.03467	0.9
217.04865	0.6
221.06027	2.4
223.07610	2.7
224.04654	1.0
225.05624	0.9
232.05258	0.6
233.06001	1.8
234.06694	1.0
235.07585	3.4
237.05519	2.1
238.06142	1.0
239.07097	7.0
248.04855	0.7
249.05511	4.6
250.06346	3.9
251.07115	18.1
252.07605	2.2
253.08488	0.8
261.05594	1.2
262.06326	2.7
263.07059	9.7
264.07864	3.8
265.05005	2.0
265.08560	1.4
266.05841	3.6
267.06592	28.9
268.06995	3.3
277.05029	2.1
278.05838	1.6
278.09308	1.1
279.06619	23.3
279.09631	0.8
280.06863	2.6
281.08130	2.2
282.08951	12.5
283.09323	1.4
289.05090	0.9
293.04886	1.0
293.08276	1.9
294.05310	6.8
294.08966	7.9
295.06085	8.5
295.09229	1.2
296.06494	1.3
297.08020	0.9
297.11334	5.5
304.07608	0.8
305.04620	1.0
306.05264	0.8
307.06104	4.5
308.06747	2.9
309.07611	9.3
310.08450	4.2
311.05603	2.6
320.06931	1.0
321.07639	2.2
322.08414	9.4
323.05591	23.5
323.09131	3.5
324.05856	2.6
326.07877	9.0
327.08368	0.7
327.12106	0.7
329.13864	0.7
335.09305	0.9
337.07050	1.8
338.07913	19.1
339.08279	2.0
341.07007	0.8
341.10239	56.5
342.10562	5.6
353.10266	100.0
354.10632	12.4
371.11224	1.2
409.86365	0.8
425.06583	0.7
503.15625	1.9
515.15656	1.2
533.17212	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1297
Annotation	LLP3
Peak:m/z	Relative Intensity
59.01237	1.6
69.94685	2.2
71.01241	1.2
72.57680	0.4
72.79919	0.5
73.02805	0.4
73.76424	0.5
83.46474	0.5
87.00759	0.6
90.09514	0.5
93.03337	0.9
101.02332	0.6
117.03361	4.9
119.04896	1.1
122.95249	0.5
128.03403	0.8
131.04951	0.6
133.06511	0.6
135.04414	1.7
143.04488	0.8
145.02864	0.6
149.02313	1.2
151.03905	0.8
153.22720	0.5
159.04515	0.7
161.02335	1.5
163.03906	1.4
174.01566	1.1
175.02466	1.0
175.03905	1.9
177.01820	1.0
177.05490	1.0
179.03331	0.8
189.01808	0.7
191.03358	1.3
197.05997	0.6
203.03394	1.3
217.04913	0.7
223.07639	0.5
233.04553	1.5
238.06303	0.5
245.04552	0.6
251.07231	0.7
267.06760	0.6
268.07370	1.4
281.04474	0.5
282.05319	2.0
283.06146	4.4
295.06107	4.8
296.06766	2.3
297.07660	16.0
298.07999	1.2
306.07623	2.1
307.06052	1.6
309.07578	2.5
311.05539	3.5
318.83792	0.7
321.07428	0.6
322.04944	0.6
323.05545	3.7
324.06223	1.0
325.07138	6.8
326.07733	0.9
328.05853	3.5
335.05466	1.3
337.07132	3.2
341.06433	0.7
351.05292	0.6
353.06644	30.7
354.07028	3.6
355.08093	1.2
356.05411	1.0
365.06622	5.8
379.08176	0.8
383.07709	22.2
384.07956	2.7
395.07834	2.5
407.07687	1.1
413.08759	3.8
414.08923	0.5
425.08716	2.1
443.09796	16.0
444.09946	2.2
455.09619	1.3
459.10104	0.5
473.10800	6.8
474.11041	0.9
515.11646	2.5
525.06995	0.6
533.12964	100.0
534.13281	14.5
536.33228	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1302
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98616	0.5
59.01252	3.5
59.46193	0.7
63.62416	0.5
65.09781	0.5
69.23212	5.1
71.01257	2.1
73.02830	0.9
75.38435	0.5
75.88589	0.6
76.81152	0.5
78.98851	0.5
83.01257	0.7
89.02312	0.9
93.03326	2.1
101.02296	0.9
102.98497	0.7
109.02817	0.6
113.02353	1.1
117.03348	5.5
119.03400	0.7
119.04938	1.7
121.02839	0.5
123.04391	0.8
135.04417	2.7
147.04390	0.7
149.02377	1.2
159.04442	1.2
161.02357	2.3
163.03911	1.5
168.13370	0.5
173.02385	0.6
175.03928	2.7
177.01904	1.0
177.05450	1.7
189.01819	1.0
191.03439	1.1
197.06059	0.7
203.03481	2.0
205.01331	0.6
205.05028	0.8
217.05139	0.7
221.04521	1.0
224.77266	0.5
245.04475	0.7
251.07201	0.8
253.08847	0.9
267.06659	0.9
268.07474	1.2
281.04529	1.2
282.05283	2.1
283.06100	5.0
295.06085	6.0
296.06842	3.1
297.07672	20.2
298.08023	2.1
307.06107	2.4
309.07626	2.7
311.05530	4.3
314.04153	0.7
322.04669	1.0
323.05594	5.2
324.06247	1.3
325.07147	8.2
326.07419	0.8
328.05814	3.8
335.05634	1.9
337.07104	3.7
341.06522	0.8
351.05258	0.8
353.06656	36.6
354.06992	4.2
355.08188	1.5
356.05270	1.7
361.06790	0.6
365.06635	7.0
379.08414	1.0
383.07715	28.5
384.08041	3.1
393.60916	0.6
395.07483	2.7
407.07660	1.3
413.08932	3.4
425.08713	2.1
443.09821	14.1
444.10214	1.9
455.09726	1.3
463.78506	0.6
472.18430	0.6
473.10889	7.4
474.11133	1.0
515.11902	3.0
533.12970	100.0
534.05505	1.2
534.13245	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	533.1298
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	3.5
60.43708	0.5
69.03313	0.8
69.15533	5.2
71.01261	3.0
79.01794	0.7
79.31463	0.6
85.02812	1.5
89.02317	1.5
91.05390	0.6
93.03331	1.4
95.01260	0.5
98.19770	0.9
101.02303	1.0
107.32159	0.5
111.00842	0.5
113.99447	0.8
117.03329	5.8
119.03405	0.7
119.04925	0.6
125.02366	0.6
133.02852	1.1
133.06534	0.7
135.04407	2.6
136.81163	0.5
143.04546	1.0
145.02817	0.5
149.02318	1.9
156.00563	0.9
158.03548	0.6
159.04387	0.8
161.02414	3.0
163.03868	1.0
173.02296	0.6
174.01657	1.0
175.03989	1.2
177.01796	1.4
177.05510	1.5
179.03328	0.8
187.03801	0.9
189.01897	0.8
189.05560	0.7
191.03441	2.3
203.03407	1.4
205.05019	1.0
221.04601	0.7
222.66380	0.6
229.81152	0.5
233.04541	1.1
245.04245	0.6
251.07161	0.7
253.08820	0.6
267.06552	0.7
268.07520	1.6
281.04767	0.9
282.05255	2.3
283.06100	4.6
284.06207	0.6
294.05298	0.7
295.06137	4.6
296.06714	3.0
297.07663	20.2
298.08035	1.6
299.05655	1.6
306.07635	2.2
307.06055	2.6
309.07800	2.0
311.05652	3.7
312.05963	0.8
323.05634	5.3
324.06293	1.5
325.07108	8.7
326.07587	1.0
327.04941	1.8
328.05731	3.5
335.05557	1.5
337.07098	3.7
341.06256	1.1
351.04953	1.1
353.06635	37.4
354.07043	3.7
355.08340	1.0
356.05170	1.2
361.07495	0.5
365.06601	7.5
366.06931	1.1
367.08188	0.8
369.06082	0.8
371.04404	0.6
379.07993	0.7
383.07697	30.4
384.08173	3.1
389.06543	0.6
395.07825	3.0
407.07584	1.6
413.08820	4.3
425.08795	2.7
443.09753	17.3
444.10144	1.9
455.09793	1.2
473.10895	6.6
474.11334	1.0
515.11926	2.5
533.12982	100.0
534.13293	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	532.2396
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53186	0.3
59.01237	0.7
61.98698	100.0
70.61340	0.5
70.61731	0.5
75.00749	0.4
78.95763	2.5
92.01913	0.3
109.35439	0.2
149.00023	0.8
152.99550	0.6
164.56737	0.2
173.00883	0.3
174.01619	1.2
189.09888	0.3
274.53833	0.3
334.07529	0.4
349.10403	0.3
357.77838	0.3
447.13440	7.6
448.13843	1.1
532.11530	0.5
537.65454	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.2394
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01739	0.6
59.01245	1.2
60.12384	0.5
61.98699	100.0
70.26610	1.9
71.01273	0.8
77.31271	0.4
78.95776	4.1
83.01266	1.1
85.65007	0.4
87.00740	2.4
96.95891	1.3
99.00800	0.7
106.67429	0.4
111.00758	0.6
112.98692	13.6
140.68143	0.5
142.99788	0.9
145.01291	0.6
147.94341	0.4
152.99481	3.5
154.99757	6.6
180.90028	0.7
191.05479	0.5
196.89409	7.4
277.21771	3.3
278.22015	0.4
289.21890	0.6
333.54373	0.6
344.33487	0.5
361.23944	0.6
433.22198	2.2
513.00110	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.2397
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98701	100.0
69.75596	5.8
107.41901	1.2
140.09723	1.3
271.27271	1.1
287.25031	1.3
310.36203	1.3
348.06677	1.2
371.26559	1.3
380.18234	1.1
515.97137	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.0939
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	7.0
64.67848	1.1
69.53068	3.0
69.53501	3.9
71.01241	5.5
75.00745	1.6
79.01762	2.4
82.91499	0.9
85.02834	1.1
87.00768	1.2
87.51690	1.0
89.02287	2.5
98.20126	3.9
101.02340	2.2
109.02842	5.4
111.04450	1.5
113.02328	1.7
115.00272	1.0
115.18530	0.9
119.03321	1.5
119.04896	1.2
121.02848	1.0
123.04425	1.8
133.02850	17.3
133.06439	2.5
135.04414	8.0
147.98602	1.0
149.02356	1.7
149.05946	4.6
151.03859	1.2
159.04358	1.7
162.03140	1.0
175.02411	2.1
175.03893	3.0
177.01842	2.9
177.05516	6.2
179.03418	2.4
189.05627	1.2
191.03343	1.2
203.03308	1.2
205.04817	1.2
213.05505	3.0
214.33318	0.9
226.06374	1.2
239.07195	2.4
267.06656	2.3
269.04709	1.6
283.06104	1.8
297.04071	1.5
297.07501	1.1
298.04733	4.7
299.05573	5.1
307.06085	1.4
311.05640	14.5
312.06400	7.9
313.07166	63.2
314.07480	6.7
323.05502	4.8
325.06970	6.9
327.05048	1.5
339.04993	4.0
341.06631	100.0
342.06976	10.8
344.05316	4.2
353.06622	14.3
354.06891	1.2
369.06079	11.9
370.06631	1.8
371.07672	28.6
372.08130	3.4
381.06030	1.8
383.07703	2.3
399.07220	5.0
413.04974	4.0
460.68057	1.2
461.10883	27.1
462.11310	3.4
489.10355	10.6
490.10605	1.8
515.08453	1.3
522.40942	1.3
523.44647	1.0
533.09314	60.8
534.09515	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	531.208
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77437	0.9
57.03311	2.0
58.00457	1.0
58.02831	1.0
59.01249	100.0
60.01576	0.8
61.98688	3.6
69.03346	0.8
70.79205	0.7
70.79711	0.7
71.01253	27.2
71.04893	1.1
71.50581	1.4
72.99174	2.1
73.02818	10.1
74.02351	2.0
83.01241	3.4
83.04888	1.5
85.02814	9.4
86.02323	1.2
87.00747	2.1
87.04373	2.2
89.02311	13.1
89.05949	2.9
95.01284	1.6
96.95887	1.9
97.71227	0.8
99.00727	2.2
99.04394	1.2
99.05516	1.2
101.02319	12.7
109.06510	1.0
113.02325	8.5
114.05504	1.4
119.03381	3.6
120.99614	1.1
121.02882	3.9
123.08093	1.1
123.85257	0.9
125.02364	1.2
127.03865	1.1
128.03423	3.4
129.01811	1.2
131.03400	1.1
132.08899	0.7
133.02821	0.9
134.22333	0.8
135.04398	0.9
141.09059	0.8
141.98199	1.3
143.03470	1.8
143.04532	3.0
159.02898	1.0
161.04420	6.8
165.01836	1.0
165.04036	1.1
175.02548	1.0
179.05621	1.4
197.05978	3.4
205.03371	0.9
223.04472	0.9
223.06310	5.3
233.10172	1.0
237.07671	5.1
251.11308	20.8
252.11618	1.0
254.07837	2.1
267.05331	8.0
272.08835	2.4
291.08896	1.5
297.04120	1.4
304.68921	0.8
306.07565	1.8
309.03973	1.1
310.09424	1.2
325.03455	2.1
325.23798	1.3
339.05069	1.9
351.21719	2.0
367.04407	0.9
369.22650	5.0
381.11893	22.2
382.12195	2.4
385.05820	1.7
399.12576	1.5
405.43597	0.7
471.25623	1.3
531.02124	0.9
531.28137	26.8
532.14734	15.7
532.22046	1.6
532.28564	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	531.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33497	0.8
55.01761	1.2
56.92518	1.0
57.03321	2.6
59.01247	100.0
60.01596	1.7
60.97670	1.0
61.98705	5.3
71.01250	29.0
71.50941	2.0
72.99168	1.6
73.02812	10.3
80.70215	0.9
80.96384	2.5
82.95972	7.4
82.96822	1.0
83.01262	4.5
83.31540	0.9
85.02824	14.1
87.00748	2.5
87.04384	1.9
89.02308	4.7
89.05955	4.7
95.01231	1.2
96.95882	2.5
96.97545	1.7
97.02838	1.7
98.95435	1.1
99.00762	3.3
101.02316	19.7
101.02934	1.5
111.00743	1.0
113.02322	10.8
119.03403	2.5
121.02821	6.5
125.02301	1.6
128.03430	2.2
129.01814	1.4
141.98183	1.5
143.03453	1.7
143.04514	2.1
149.02388	1.2
159.02895	2.0
161.04462	14.3
163.00275	1.2
175.02350	1.0
179.05528	2.6
183.13916	1.1
218.54208	1.0
227.00285	1.0
229.00848	1.3
237.07755	5.9
251.11319	53.6
252.11636	3.0
259.07288	1.7
267.06476	1.1
279.06732	1.1
283.06061	2.7
291.08841	5.3
295.06027	2.2
297.03833	1.1
311.05698	2.9
320.09064	1.3
323.05255	1.0
325.03387	1.2
325.23819	1.4
337.07138	2.6
340.01944	1.2
341.02930	2.3
342.03259	1.1
351.21786	3.1
367.08099	1.8
369.02438	5.9
369.22751	2.8
381.11823	12.8
399.12946	30.0
400.13074	2.5
445.07870	4.0
531.07483	1.7
531.18085	17.8
531.28076	17.8
532.15991	2.0
532.28345	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	531.151
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	1.3
57.03310	1.9
59.00969	2.1
59.01254	40.4
61.98693	5.1
68.02405	1.0
69.77888	5.8
71.01254	16.9
72.99181	1.5
73.02821	9.6
80.96354	1.1
83.01252	2.0
83.04887	1.6
85.02831	7.2
87.00726	3.0
88.50507	0.9
89.02325	7.3
95.01264	1.9
96.95849	1.3
97.06461	1.7
99.00755	1.8
101.02318	9.2
101.05943	1.1
108.02061	17.6
109.06432	1.4
111.00783	1.0
111.04414	1.2
113.02345	5.7
116.04957	9.5
119.03394	2.2
119.04890	3.5
120.29575	1.0
121.02831	2.1
123.08002	1.5
125.02299	1.5
125.03448	1.2
127.03891	2.7
127.05024	1.1
128.03413	1.7
129.01831	1.6
133.02870	1.3
135.04390	1.6
145.02840	2.4
152.01131	1.1
153.05490	1.0
159.02870	1.1
161.02269	1.6
161.04498	2.5
163.03961	1.2
175.02425	1.6
175.03911	1.8
179.05522	1.8
190.59856	1.0
191.03441	2.3
193.59056	1.0
250.05037	2.7
251.07166	1.2
251.11253	1.0
252.07910	1.8
267.06610	3.2
279.06598	3.4
280.07370	2.3
281.08194	17.5
282.08511	1.9
283.06357	1.3
291.06558	2.5
293.08228	2.1
295.06134	4.9
307.06064	2.9
308.06726	1.5
309.07693	9.0
309.20493	1.5
312.06357	3.3
312.90778	1.0
319.06158	1.4
320.09250	1.1
321.07678	3.2
337.03101	1.9
337.07169	30.0
338.07449	4.1
339.08594	1.6
340.05957	1.7
341.06812	1.2
349.07040	4.7
367.08170	21.6
368.08438	3.5
369.22824	5.8
372.10583	1.4
379.08160	2.1
386.09219	1.1
397.09079	2.5
409.09018	2.3
419.43036	1.3
427.10193	1.1
441.11838	13.4
445.07352	1.3
471.13000	9.2
472.12988	1.8
513.14441	2.7
530.26642	1.3
531.15070	100.0
531.27704	39.9
532.15247	15.4
532.28345	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.1143
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	0.8
56.16669	0.5
57.03314	1.8
59.01249	26.5
61.98698	3.0
71.01255	11.6
71.50326	1.0
71.50721	1.0
72.99184	0.9
73.02802	3.9
74.02319	0.8
75.00750	0.9
77.03854	1.3
79.01766	1.3
83.01268	1.4
84.13963	0.6
85.02816	4.7
87.00735	1.3
87.04385	1.4
89.02321	5.0
89.05956	3.3
90.02662	0.6
93.03335	1.6
95.01255	0.8
95.04906	0.7
96.95886	1.3
97.02833	0.9
97.06441	0.6
99.00733	1.1
101.02318	4.7
105.03329	0.8
107.01223	0.6
109.02881	0.5
111.00754	0.6
113.02333	3.4
115.03960	0.6
117.03362	5.8
118.03711	0.7
118.97926	0.7
119.03337	1.8
119.04926	0.8
121.02830	3.9
125.02309	0.8
128.00938	0.6
128.03401	2.0
135.04442	1.5
137.06895	0.6
143.04555	1.6
148.05148	0.8
149.02313	1.6
153.11621	0.6
159.04407	1.2
161.02351	3.3
161.04472	1.5
163.00282	1.9
163.03880	0.8
165.01817	1.9
175.02484	0.9
177.01816	0.8
179.05534	1.5
182.03641	0.6
183.04341	0.9
183.08125	0.8
189.98895	0.8
197.05937	1.5
197.11725	0.6
211.07509	1.1
224.04683	0.9
233.10234	0.7
237.07600	4.9
239.07080	2.0
251.11240	3.7
253.04964	1.4
269.04532	5.9
279.06729	1.0
281.04639	7.8
281.07968	1.5
282.05130	2.0
283.06094	50.5
284.06342	5.3
293.04703	1.2
295.06052	6.4
296.06558	0.9
297.04080	0.9
298.04886	0.7
308.03293	1.2
309.04041	2.0
309.07568	1.2
309.20966	0.6
311.05591	66.0
312.06012	7.7
314.04367	3.2
323.05588	13.6
324.05936	2.2
325.03036	0.6
337.07172	2.5
339.05310	1.4
341.06622	25.8
342.07077	2.9
347.05591	1.1
351.21924	0.8
353.06567	1.4
365.06564	1.4
367.08142	0.9
369.02316	4.4
369.22763	1.9
381.11929	5.1
383.07828	1.2
385.05313	0.8
401.08701	9.4
402.08911	1.1
445.07724	100.0
446.08005	16.7
457.11252	0.7
513.26666	0.8
531.15381	4.4
531.27911	13.6
532.15643	1.1
532.28766	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	530.2241
Annotation	Unknow
Peak:m/z	Relative Intensity
56.35752	2.1
58.32401	2.0
61.98701	100.0
63.02029	1.9
71.50365	2.5
75.06850	1.9
79.66104	1.8
80.74178	2.0
86.83459	1.9
90.25670	2.0
91.97321	1.9
96.76831	1.6
115.86863	1.7
118.96275	1.7
173.21719	1.9
490.30072	2.0
494.59039	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	530.3025
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	0.6
59.01244	2.3
69.03316	0.6
70.52307	0.9
71.01249	3.7
72.01584	0.5
72.99151	0.8
73.02811	0.5
75.00745	3.2
78.95776	17.3
83.01276	0.8
85.02816	3.9
86.03152	1.1
87.00739	1.6
89.02316	1.0
91.03870	0.5
95.01269	1.6
96.01599	0.6
99.00749	3.2
100.01031	0.7
113.02324	4.5
114.02665	1.2
138.73770	0.5
152.99487	3.1
168.04210	3.3
180.74454	0.6
224.06871	8.0
242.07928	1.9
249.06161	3.0
250.06461	2.1
255.23270	100.0
256.23605	9.9
267.07150	0.9
274.21652	0.5
279.23260	6.5
280.23615	12.3
281.23969	1.0
304.40863	0.5
414.72745	0.5
480.30920	62.3
481.31232	9.9
530.30475	17.6
531.30792	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	529.3015
Annotation	Kukoamine A
Peak:m/z	Relative Intensity
57.03313	3.5
59.01250	14.1
66.50355	0.6
67.01744	1.1
68.99676	2.6
70.79518	1.9
71.01251	14.9
72.99188	7.3
73.02827	1.4
75.00743	19.2
83.01263	1.2
85.02820	20.7
87.00747	6.0
89.02314	3.7
95.01264	5.0
99.00754	10.8
101.02306	0.7
103.00240	1.5
111.00783	0.9
113.02328	29.1
115.00277	1.9
117.01813	3.0
120.36005	0.8
129.01820	2.1
129.41693	0.7
147.61879	0.9
175.02417	4.6
205.07126	1.8
227.75404	0.8
231.04997	2.3
249.06114	18.7
249.08595	1.4
250.06685	1.0
260.79877	0.7
267.07187	3.3
279.23279	88.9
280.23596	9.9
310.85889	0.8
338.16678	0.8
405.87827	0.8
427.20258	0.7
469.28223	1.0
511.28796	4.2
529.30170	100.0
530.30518	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	529.3014
Annotation	Kukoamine A
Peak:m/z	Relative Intensity
55.01744	1.1
57.03319	3.1
58.00460	1.2
59.01242	14.5
67.62849	0.7
69.03306	1.8
69.31194	0.7
70.07381	1.7
70.07790	1.2
71.00852	1.2
71.01245	22.7
72.99170	6.2
73.02814	1.8
75.00739	22.0
76.08918	0.8
78.95766	11.6
83.01255	2.7
83.64088	0.6
85.02818	27.1
86.03156	1.0
87.00747	9.1
87.44273	0.6
88.98643	1.4
89.02310	6.6
91.03880	1.2
95.01263	6.2
99.00750	12.6
101.02309	0.8
103.00237	2.8
111.00758	1.9
112.01515	0.8
113.02323	37.7
114.02657	1.0
115.00235	1.6
117.01839	2.4
124.83389	0.7
129.01822	2.0
131.03467	1.0
152.99460	1.9
157.01323	2.6
168.04193	1.6
175.02414	3.8
182.83313	0.7
205.06960	3.7
222.51131	0.7
223.08109	1.4
224.06841	5.5
231.05032	1.2
242.07744	0.9
249.06117	13.9
255.23247	67.4
267.04385	1.2
267.07172	10.1
279.23267	81.1
280.23596	8.0
404.56961	0.7
480.30908	46.1
511.29028	2.4
529.30133	100.0
530.30542	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	530.224
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01260	0.8
61.98700	100.0
71.08072	1.0
75.00723	0.5
75.45486	0.6
78.77314	0.5
104.38973	0.5
114.66792	0.5
159.20432	0.6
174.01669	1.5
180.29253	0.6
267.86942	0.6
526.16052	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3012
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19308	0.2
55.01744	0.4
57.03309	0.5
58.00464	0.6
59.01244	11.4
61.98701	2.8
68.01240	0.2
69.03319	0.5
71.01247	8.4
71.50127	0.3
72.99184	0.5
73.02811	1.2
73.03741	0.2
83.01238	0.9
85.02821	1.9
85.28715	0.2
87.00741	1.1
89.02312	8.8
91.03863	0.3
95.01260	0.3
95.63088	0.2
99.00739	0.6
100.27696	0.3
101.02322	9.1
102.02642	0.3
111.08018	0.4
113.02326	4.5
113.09565	0.5
119.03387	2.8
125.02330	0.4
127.01811	0.3
131.03397	0.4
135.02873	0.3
143.03397	1.2
161.04446	5.5
167.10649	0.3
167.82466	0.3
169.12257	0.5
174.01611	0.7
179.05518	1.9
179.14314	0.7
183.40709	0.3
195.13818	9.5
196.14368	0.8
203.53589	0.3
205.12238	0.8
205.15906	0.6
211.13338	0.4
222.44502	0.2
223.13330	6.3
224.13730	0.7
228.13611	0.8
231.21184	0.4
245.40665	0.3
249.22208	0.4
253.09244	40.4
254.09543	2.0
256.13126	1.1
265.21628	0.4
275.20135	5.1
276.20508	0.5
292.20047	0.3
293.21194	100.0
294.21524	10.1
303.31415	0.3
492.22156	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3013
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	100.0
60.01587	0.7
61.02917	0.5
61.98700	2.3
64.10561	0.4
65.44643	0.5
69.40469	0.4
70.70836	0.9
70.71188	0.9
71.01253	8.7
73.02831	2.0
78.25031	0.5
78.95757	0.5
83.01267	0.9
85.02819	3.1
87.00749	0.7
89.02330	1.7
99.00751	0.7
101.02312	5.3
109.06526	0.7
113.02335	3.5
113.09642	0.7
118.58028	0.5
122.12594	0.5
123.28895	0.5
141.86937	0.5
142.52090	0.6
143.03387	0.6
152.99597	0.6
161.04448	5.1
163.11295	0.8
195.13847	0.6
207.10303	1.4
211.13309	6.6
242.16664	0.5
253.09317	4.8
265.21710	2.6
275.20358	1.6
293.21213	26.3
294.21603	1.6
469.28076	0.9
529.30603	1.1
556.45483	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.3221
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	100.0
59.90756	0.5
60.01592	0.8
64.67377	0.4
69.15758	1.1
69.16171	3.1
98.20561	1.1
117.88369	0.4
165.89293	0.4
214.28773	0.4
269.17996	0.5
277.21686	4.0
278.22025	0.5
283.86459	0.5
284.95117	0.5
343.41632	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3014
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	0.5
58.00488	0.4
59.01249	11.9
61.98689	0.8
69.03310	0.5
69.73848	0.6
69.74257	1.6
71.01251	7.1
72.99183	0.8
73.02806	1.1
83.01260	0.8
85.02820	1.4
87.00753	0.9
87.18546	0.3
89.02309	7.9
89.02847	0.7
91.03865	0.4
92.19165	0.3
93.85091	0.3
95.01251	0.7
97.02818	0.4
98.19907	0.7
101.02325	8.3
105.32901	0.3
111.08042	0.4
113.02328	4.4
119.03371	2.6
131.03357	0.6
143.03410	0.9
153.61923	0.4
161.04472	3.9
167.10681	0.4
169.83534	0.3
179.05507	1.5
179.14304	1.0
195.13846	9.4
196.14432	1.1
205.12152	0.5
205.15935	0.5
211.13354	0.6
219.97681	0.3
223.13335	6.0
224.13840	0.9
228.13672	0.5
253.09247	36.6
254.09486	2.3
256.13086	1.1
275.20105	5.6
276.20520	1.0
291.19656	0.4
292.20178	0.5
293.21210	100.0
294.21548	9.7
337.18155	0.3
492.22171	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2854
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01755	0.2
59.00962	0.4
59.01243	5.3
60.43480	0.2
61.98680	0.5
69.53004	0.2
71.01247	4.2
71.49916	0.2
72.91674	0.2
72.99165	0.4
73.02807	0.6
83.01263	0.3
85.02821	1.1
87.00729	0.7
89.02311	3.7
90.02644	0.2
95.01260	0.3
95.04857	0.3
97.06456	0.3
101.02318	3.7
111.00708	0.2
113.02320	1.9
119.03399	1.0
119.04908	0.2
121.02808	0.2
125.02383	0.2
125.05926	0.5
126.92758	0.2
141.09091	0.2
143.03374	0.4
148.08807	0.6
150.10362	0.6
151.11151	0.4
161.04463	1.6
163.11174	0.6
165.12750	14.7
166.13080	0.7
175.11159	0.4
176.11884	0.3
177.12682	0.2
179.05479	0.5
191.14319	0.4
211.13300	0.3
217.15926	0.3
247.20625	8.4
248.20946	0.7
253.09244	18.2
254.09592	1.0
273.18585	4.7
274.18921	0.5
291.19635	100.0
292.19955	10.3
292.24854	0.2
406.47498	0.2
412.31049	0.2
425.66907	0.2
527.28717	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2857
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32587	0.3
55.01743	0.5
57.03320	1.3
58.00458	0.3
59.00960	0.5
59.01247	8.0
61.98705	0.6
63.06478	0.2
69.78011	1.3
71.01251	5.5
71.04870	0.3
72.99171	0.3
73.02803	1.0
83.01243	0.5
83.04887	0.5
85.02810	1.5
86.89995	0.2
87.00729	0.8
89.02312	3.8
95.01295	0.4
95.04904	0.5
97.02845	0.3
97.06454	0.9
99.00751	0.6
99.08043	0.6
101.02325	5.0
109.06441	0.4
111.07302	0.4
111.08036	4.9
113.02315	2.5
119.03398	1.1
119.04835	0.3
125.02278	0.3
125.09599	1.1
127.11171	0.6
137.09621	0.4
143.03438	0.3
149.09581	0.3
161.04460	1.7
165.12715	0.5
167.10689	1.0
176.43700	0.3
177.12775	0.8
179.05435	0.5
179.10725	1.0
179.14392	0.3
181.12247	0.4
183.06763	0.3
193.12260	0.3
193.15816	0.3
195.13846	3.2
196.14154	0.3
203.14467	0.5
229.19489	0.6
231.97546	0.3
235.08168	0.6
235.16869	0.3
247.20592	2.6
248.20883	0.4
253.09244	19.8
254.09557	0.9
263.20145	4.1
264.20300	0.5
273.18604	5.9
274.18887	0.6
275.16440	0.3
291.19641	100.0
292.20001	11.3
317.20862	0.5
382.57013	0.3
527.28516	5.7
528.28992	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2856
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	1.1
58.00452	0.2
59.01247	5.7
61.98695	0.8
65.89922	0.1
69.03320	0.4
71.01247	3.9
71.04874	0.2
71.50419	0.2
72.99184	0.4
73.02810	0.8
81.03310	0.2
83.01262	0.6
83.04897	0.6
85.02814	0.9
85.06478	0.2
87.00744	0.8
89.02312	3.5
93.03340	0.2
95.01250	0.2
95.04879	0.2
96.95914	0.2
97.02836	0.2
97.06470	0.3
99.00762	0.3
101.01709	0.3
101.02322	4.0
102.02705	0.2
107.04913	0.7
107.08530	0.3
109.06465	0.2
111.08039	1.1
113.02324	2.2
119.03384	0.8
119.04850	0.2
123.08071	0.4
125.09595	2.2
127.07524	0.2
127.11178	0.7
131.03323	0.1
133.04971	0.2
135.08038	0.3
141.09117	0.2
143.03435	0.3
151.11165	0.3
153.09041	0.4
153.12766	1.0
155.10614	0.2
161.04449	1.7
163.11172	0.3
165.09085	0.2
165.12756	3.8
167.10629	0.2
174.01610	0.5
179.05499	0.7
179.14310	0.3
181.12256	0.8
183.13832	0.4
186.10811	0.2
191.14339	0.7
193.15950	0.2
195.13779	0.3
199.18581	0.2
209.11739	0.6
211.13399	0.2
217.15938	0.9
225.11320	0.2
229.19615	0.4
231.97577	0.4
235.08229	0.3
247.20633	2.5
248.20929	0.2
253.09247	17.9
254.09500	1.1
263.20160	1.7
273.18570	3.9
274.18924	0.4
291.19641	100.0
292.19986	11.3
296.04700	0.2
317.20917	0.3
439.04929	0.2
464.03088	0.2
527.20337	0.3
527.28461	3.1
528.29132	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2859
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	0.9
57.03309	3.7
58.00460	1.0
58.90874	0.8
59.01247	17.1
61.98704	0.8
67.01746	1.0
69.03298	1.5
69.79670	0.7
70.16071	2.2
70.16479	1.7
71.01252	27.2
72.99180	9.1
73.02811	2.0
75.00743	24.8
76.30268	0.7
78.95750	1.7
80.96378	0.9
82.95697	0.8
83.01246	0.8
85.02821	32.0
85.33646	0.8
86.03175	0.9
87.00755	9.6
89.02317	6.5
95.01260	7.1
96.35857	0.8
99.00762	10.7
101.02344	1.2
103.00236	3.1
107.83723	0.8
113.02327	41.4
115.00231	2.0
117.01839	4.3
129.01816	2.0
143.36642	0.7
152.99522	6.6
157.01355	1.4
175.02359	5.4
205.07140	3.0
223.08214	1.7
231.05038	1.6
233.22557	0.9
249.06128	11.5
267.07224	9.9
276.37100	0.8
277.21710	67.9
278.22089	6.6
279.23239	1.3
467.26630	1.1
482.20599	0.9
509.27283	3.7
527.28595	100.0
528.28931	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	527.2856
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01744	0.9
55.21647	0.8
57.03323	3.3
59.00965	0.8
59.01247	15.1
61.98682	1.1
68.99688	1.1
69.03323	0.7
71.01248	17.1
71.50788	0.7
72.99174	6.3
73.02823	1.6
75.00743	20.1
85.02817	19.5
87.00757	8.2
89.02302	3.4
95.01254	5.1
99.00750	9.3
103.00227	1.5
113.02328	26.4
114.02666	0.9
115.00235	2.7
117.01811	3.1
129.01811	1.1
157.01291	1.6
175.02380	4.6
205.07039	1.5
208.19524	0.7
231.05005	2.5
233.22725	1.1
249.06145	22.4
250.06462	1.5
267.04630	0.7
267.07095	3.8
267.90570	0.8
277.21716	75.1
278.22131	6.7
291.19855	0.8
382.22141	0.7
443.78436	0.8
467.26367	1.5
509.27335	3.3
527.28601	100.0
528.28809	18.5
528.36249	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.253
Annotation	Chaetoglobosin C
Peak:m/z	Relative Intensity
50.20517	0.4
59.01248	0.5
63.96111	1.1
69.03322	0.4
70.10738	1.8
71.01247	6.7
73.02811	1.5
78.95767	1.2
78.98454	5.7
79.95600	7.8
80.96387	59.1
81.03310	0.9
83.01240	0.4
84.86227	0.4
85.02827	2.7
87.00749	2.7
94.97955	15.1
96.95876	1.2
97.02820	1.3
99.00705	0.5
101.02307	1.4
106.97960	3.1
113.02330	0.7
122.97467	2.2
125.02344	2.9
127.03876	0.9
134.97472	5.2
136.99048	1.6
148.99062	5.8
152.98535	5.3
164.98549	11.8
167.00150	0.5
188.98570	0.6
206.99701	2.3
225.00685	14.3
226.01027	0.4
227.20062	2.5
249.06252	0.5
277.21710	1.0
299.04428	3.3
527.25269	100.0
528.25574	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	527.2495
Annotation	Parvifoliside
Peak:m/z	Relative Intensity
54.68744	0.4
55.01752	1.3
57.03316	1.6
58.00465	1.7
59.01251	23.8
60.99167	0.5
61.98693	0.5
69.03333	0.5
71.01256	27.9
71.51785	0.5
72.99162	1.8
73.02818	7.2
75.00739	0.6
83.01254	5.2
85.02829	11.4
87.00748	2.0
89.02319	11.7
95.01279	2.2
96.95895	0.5
98.96310	0.4
99.00765	3.0
101.02325	21.6
102.02652	0.5
109.50116	0.4
113.02332	10.8
119.03375	5.2
125.02341	0.5
129.01843	0.5
134.03664	0.5
143.03406	0.9
159.02869	1.5
161.04477	5.0
179.05528	0.8
193.04988	1.6
273.18756	0.8
275.20157	1.3
303.19601	1.6
319.18991	0.7
337.20276	0.6
347.18597	2.3
357.12097	0.5
365.19415	2.4
431.92081	0.5
465.24872	0.9
497.23938	1.5
499.25385	0.9
527.24976	100.0
528.25323	17.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.18
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01249	0.5
59.01267	0.6
69.24851	4.2
71.00893	0.6
71.01242	4.3
73.02821	1.1
75.54804	0.4
78.08674	0.4
78.98448	3.3
79.95596	6.5
80.96385	38.5
85.02821	1.7
87.00735	1.6
94.97958	10.2
96.95918	0.4
97.02812	0.5
101.02326	1.8
105.88374	0.5
106.97959	2.4
122.97461	3.8
125.02312	1.3
127.03902	0.6
134.97478	2.1
139.71140	0.5
143.34351	0.5
147.54784	0.5
148.99072	3.3
152.98555	3.8
164.98531	5.6
165.12881	0.5
182.99637	1.2
183.13805	2.8
194.57838	0.4
206.99611	1.7
225.00685	13.5
243.01721	1.2
299.04346	1.8
353.55634	0.5
462.15994	0.5
483.19498	0.6
511.66580	0.5
527.17999	100.0
528.18317	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	527.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03324	1.6
58.02846	1.7
59.01249	20.0
61.98702	8.9
62.56444	1.1
64.09737	1.1
66.58128	1.0
69.19849	12.2
71.01241	8.3
72.99187	1.8
73.02822	3.4
74.02339	18.1
75.00733	1.1
80.96394	2.3
82.02850	5.5
84.04411	9.7
85.02827	2.3
86.02361	8.6
87.00739	1.6
87.05528	1.7
88.03899	1.8
89.02333	2.7
90.00078	1.9
90.85446	1.1
97.03941	2.8
99.05511	7.3
100.00306	1.7
101.02338	2.6
111.00758	1.2
111.05560	1.4
113.02330	2.4
113.03468	1.4
125.02574	1.8
125.03459	13.1
137.06013	1.5
143.04517	10.1
151.07555	1.2
153.06613	2.1
160.00674	1.3
161.04527	1.5
170.03217	2.2
193.12279	5.5
195.13841	2.2
201.09505	1.2
210.14937	4.3
211.13402	1.6
212.16370	5.7
219.06560	1.4
229.14485	1.5
246.15288	2.7
252.19714	2.4
253.09634	1.3
260.16568	5.2
264.19519	1.4
278.17657	12.0
279.17892	1.4
291.19620	2.0
296.18692	11.0
303.20691	3.1
305.22253	5.0
307.15530	2.5
323.18594	3.4
329.23254	4.1
330.17386	4.1
347.19659	2.2
360.22922	1.6
378.24057	1.4
381.18658	1.9
404.21939	2.6
408.16440	1.8
422.22925	20.6
423.23093	3.0
433.15790	3.0
438.20776	2.1
456.21750	100.0
457.22025	16.5
477.14761	1.9
482.19699	2.3
483.33243	1.8
485.34998	3.2
495.16226	1.4
500.20541	5.6
509.17593	3.8
527.20740	7.0
527.36475	12.8
528.22034	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	527.1804
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07644	0.5
57.03304	0.5
59.01236	1.2
63.96101	1.1
69.20777	5.4
71.01252	6.1
73.02815	1.0
78.95760	0.6
78.98470	5.2
79.95604	9.4
80.96386	59.5
81.03321	1.0
81.22705	0.5
85.02809	2.3
87.00750	2.7
92.64292	0.5
94.97955	15.1
96.95888	0.8
97.02850	1.3
101.02320	2.0
106.97963	2.8
113.02351	0.5
122.97437	2.8
125.02367	2.6
127.03875	0.7
134.97485	4.8
136.99083	1.2
148.99033	5.5
152.98508	4.0
164.98535	13.4
165.12669	0.9
183.13838	5.1
206.99628	2.6
225.00685	20.8
237.94484	0.5
293.29657	0.5
299.04425	1.8
483.19034	0.8
509.17087	1.0
527.18005	100.0
528.18323	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	527.1191
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03311	1.0
59.01248	11.8
61.98697	4.0
65.42542	0.7
67.01749	0.9
70.84209	2.1
71.01254	7.8
72.28455	0.7
72.99180	1.1
73.02815	2.0
75.00753	0.9
78.95756	5.4
78.98492	1.8
79.95621	4.4
80.95916	1.6
80.96391	29.3
81.03335	0.9
83.01254	2.6
85.02829	4.5
87.00745	2.4
89.02319	2.3
93.03338	2.7
94.97953	6.1
95.01270	1.6
96.95882	10.0
97.02831	3.0
99.00761	1.6
99.04384	0.8
101.02312	3.9
106.98006	1.4
107.01272	0.9
109.02866	1.0
113.02311	2.1
117.03330	5.0
119.04877	1.2
121.02830	2.5
123.04411	1.2
125.02365	3.6
133.02846	1.1
133.06450	1.5
134.97424	1.1
135.04404	1.6
137.02414	1.6
137.05957	0.8
147.04428	2.2
148.99013	3.2
149.02341	3.1
151.00375	0.8
152.98503	2.1
152.99538	1.4
159.04373	1.8
161.02335	3.2
161.04434	1.1
161.05928	0.9
163.00241	1.5
163.03883	1.5
164.01111	1.0
164.98569	6.1
165.01833	2.8
173.05923	1.3
175.04008	1.8
175.07542	1.0
176.01112	0.9
177.01888	2.2
179.03380	1.5
183.04366	0.9
183.13834	2.1
189.01970	0.8
189.05466	1.8
191.03403	2.1
193.01303	1.0
197.05943	0.9
201.01981	1.0
201.05504	1.8
202.02811	0.7
203.03467	3.7
203.07060	2.1
204.04085	0.9
205.01286	1.1
205.05045	1.8
206.99628	1.1
207.02895	0.7
209.11859	0.7
217.05025	3.2
219.03058	0.8
219.06531	2.1
225.00734	7.2
229.05066	0.8
231.02892	1.7
231.06587	1.8
233.04507	7.6
233.08141	1.4
243.06610	1.3
245.04417	2.8
246.05212	1.1
247.06123	7.1
248.06526	0.8
254.05774	1.1
259.06122	2.7
265.05240	0.9
267.06500	1.0
269.04587	4.9
273.03882	1.2
275.05588	50.4
276.05890	4.5
277.07202	1.4
281.04550	5.8
282.05292	4.2
283.06125	16.2
284.06357	1.6
287.05676	6.8
288.05948	1.2
289.07108	1.8
293.04553	1.7
294.05618	0.8
295.06079	6.3
296.06708	0.9
297.04050	1.9
299.05225	2.5
301.07260	0.8
305.06668	32.1
306.06976	3.3
307.05942	0.7
309.04156	2.3
311.05609	14.9
312.05933	1.5
313.03510	0.9
314.04333	2.7
317.06622	8.6
318.07068	1.3
321.03891	1.1
322.04745	1.2
323.05658	5.1
324.06024	1.2
325.07175	1.0
328.06021	0.9
329.06699	4.7
337.03430	1.7
337.07056	1.8
339.05096	1.0
341.06470	7.8
343.04657	1.4
347.07697	10.4
348.08051	0.9
351.05145	2.1
353.06750	1.3
365.08771	30.9
366.09067	2.4
369.06195	1.2
381.05969	1.0
389.08600	1.6
393.09802	2.6
401.08707	3.2
407.09906	6.9
423.10739	1.1
433.07758	1.8
437.08768	12.6
438.09131	2.2
439.10718	1.1
457.08151	1.3
465.32489	1.2
467.09671	8.0
499.12549	2.0
504.76926	0.8
509.10928	4.1
526.27557	1.6
527.11810	100.0
527.18274	43.3
528.12128	13.7
528.18701	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	527.1193
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03313	5.3
59.01246	17.2
61.98698	7.7
69.82438	1.1
71.01257	8.7
71.04896	1.4
71.50953	2.0
73.02817	2.5
74.02342	1.4
75.00713	1.6
78.81025	1.1
78.95779	6.8
79.00345	1.0
80.96359	2.2
83.01266	1.5
83.04881	1.7
85.02829	2.5
85.78302	1.2
87.00736	2.1
87.04311	1.3
89.02286	3.2
95.01263	1.5
96.95873	6.4
96.96844	2.0
99.00745	1.3
101.02303	4.3
110.80455	1.1
111.00752	1.2
111.07965	1.3
113.02294	2.7
117.03356	12.6
119.04925	1.2
121.06456	4.1
125.02330	2.5
133.02766	2.1
133.06384	1.5
135.07976	1.6
137.05940	1.8
139.07532	1.7
143.04718	1.2
149.02248	1.8
152.99487	3.4
156.77187	1.2
159.04401	2.5
161.02335	4.3
163.00249	1.6
175.02463	1.5
175.03897	4.2
177.01799	2.9
182.46547	1.1
187.03937	1.9
189.01813	3.4
191.03470	1.7
191.10732	1.5
195.12938	1.2
201.01845	6.7
203.03447	3.9
205.01352	1.6
211.13333	8.1
213.01839	1.4
213.05693	1.3
215.03558	1.5
231.02908	4.3
231.06570	1.5
233.04361	1.2
239.07022	1.8
241.01157	2.0
243.02988	1.6
251.06955	1.3
253.05171	1.4
259.07239	1.4
269.04449	2.7
272.08926	1.6
275.00424	1.2
275.05582	2.2
279.06717	2.0
281.04663	5.5
282.05176	1.7
283.06107	17.1
291.19626	3.1
293.04529	3.3
294.05289	4.8
295.06079	12.9
296.06509	2.0
297.04095	1.7
297.07574	1.3
305.07080	1.7
307.06113	7.4
309.07614	10.5
311.05594	28.3
312.05884	3.5
314.04382	1.3
315.05234	1.4
321.07535	2.3
323.05591	22.1
324.05930	2.3
326.04285	1.7
329.23407	3.5
335.05524	4.1
337.03381	2.1
337.07092	15.8
338.07666	2.3
339.05261	3.0
341.06555	13.6
349.07324	4.5
351.05038	2.5
351.14371	2.1
353.06683	9.6
363.05066	7.9
364.05768	1.8
365.06378	2.1
367.08139	9.7
383.07742	1.9
393.05917	3.7
393.09818	3.5
401.08749	19.0
402.09064	1.5
409.09503	1.6
413.08841	11.1
423.10898	1.8
427.10458	18.7
428.10504	2.3
437.08713	10.7
438.08994	3.0
447.31433	1.7
452.18515	1.5
453.08215	37.2
454.08676	5.7
457.07681	1.4
465.32062	3.0
467.09564	6.0
483.12857	3.2
483.33295	3.1
495.15970	1.8
509.10791	4.3
509.17630	2.0
527.11847	100.0
527.18768	11.3
527.29669	1.9
527.35406	7.1
528.12244	17.5
528.19226	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	526.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09085	3.3
56.10620	3.4
57.03319	4.9
59.01245	31.2
61.98695	100.0
69.17268	42.3
71.01245	16.7
73.02810	5.0
78.95763	11.2
80.96375	7.4
85.02801	7.0
89.02333	6.4
89.96383	3.8
96.95875	4.2
96.96785	4.4
98.20649	4.0
99.00750	11.3
101.02304	10.8
113.02312	8.7
117.03323	11.8
119.03340	4.3
121.06525	5.2
152.99513	5.6
153.30592	3.3
161.04468	4.1
175.03818	3.3
177.01776	4.1
183.13818	28.3
201.01872	6.4
211.13335	7.6
231.02689	4.6
253.06418	4.1
275.05466	4.1
280.08527	4.3
281.09213	4.3
283.06180	17.6
294.05255	5.6
295.06088	10.0
307.06082	4.7
309.07776	10.1
311.05643	27.8
311.09116	4.2
311.09787	3.5
320.18997	4.0
323.05435	21.3
329.23355	4.6
336.09845	7.5
337.07016	22.1
341.06653	14.0
353.06747	9.7
363.04987	8.5
367.08072	10.2
401.08698	14.9
407.16229	4.2
413.08594	11.6
419.24118	3.9
427.10300	19.1
432.15631	16.3
437.08899	11.0
450.16501	18.8
453.08203	40.1
463.21863	52.5
465.69257	4.1
467.09711	10.3
476.14697	9.8
494.15610	29.6
508.17120	45.1
509.17657	7.7
520.23602	4.0
526.18195	71.5
526.25854	6.1
527.11816	86.0
527.18683	19.0
527.30981	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	527.1193
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03294	0.6
59.01246	9.3
61.98701	4.3
67.01801	0.7
69.30836	6.0
71.01255	4.5
73.02830	2.8
78.95775	9.8
78.98468	1.8
79.01788	1.0
79.95611	3.2
80.96385	18.2
81.03326	0.8
83.01259	1.5
83.04888	0.8
85.02821	2.8
87.00747	1.1
89.02325	1.5
93.03349	2.9
94.97969	4.2
95.01258	1.6
95.04889	0.9
96.95885	2.8
97.02814	2.0
101.02327	2.7
106.97962	1.2
107.01258	0.7
109.02805	1.5
113.02336	1.6
117.03339	7.3
117.04117	0.9
118.03648	0.7
119.03441	0.6
119.04897	1.9
121.02846	1.7
121.06514	1.2
122.97460	0.9
123.04424	2.1
125.02333	3.8
133.02869	1.0
134.97450	1.5
135.04405	1.4
136.01538	1.0
137.02332	2.7
139.03937	1.0
139.07500	0.6
140.50262	0.6
145.02849	1.3
147.04430	1.4
148.99046	2.1
149.02341	2.2
151.00320	0.7
151.03889	1.4
152.98477	2.1
152.99565	1.2
154.60851	0.7
157.06474	1.4
159.04401	0.9
161.02341	2.5
161.05965	1.4
163.00200	1.5
163.03893	2.6
164.01147	0.8
164.98529	3.3
165.01857	2.9
166.02583	0.7
167.03459	1.4
171.00528	1.9
173.06068	1.0
175.03880	0.9
175.07568	1.7
177.01849	2.0
179.03387	2.2
179.06956	0.9
183.13805	1.1
185.06017	1.0
187.03769	1.3
187.07576	0.7
189.01846	1.4
189.05470	2.7
191.03419	2.1
192.00612	0.8
193.01373	1.2
197.05992	1.1
201.05482	2.2
202.02623	0.6
203.03410	4.0
203.07101	1.7
204.00623	1.1
204.04141	1.1
205.01366	1.5
205.05037	1.9
207.02919	1.4
209.05856	0.7
211.13313	0.8
215.03403	0.6
215.07091	1.9
217.04970	2.1
219.02863	0.7
219.06537	3.0
219.13843	0.7
225.00638	5.6
225.05389	0.8
229.04959	1.3
231.02951	1.7
231.06618	2.2
233.04492	8.6
239.07037	0.9
243.06589	1.3
245.04448	4.5
247.06012	8.2
248.06592	0.8
253.05135	1.4
254.05930	1.0
257.04486	1.4
259.05936	3.3
265.04962	1.1
267.06656	1.1
269.04547	6.7
270.05154	0.7
273.04056	1.1
275.05579	63.8
275.98849	0.7
276.06009	4.1
277.07166	1.0
281.04544	6.5
282.05142	3.4
283.06055	17.7
283.10675	0.7
284.06601	0.9
287.05576	9.8
288.06076	1.0
289.07217	1.6
293.04413	1.8
295.06024	6.6
296.06613	1.8
297.04056	2.4
299.05518	3.0
301.07199	1.0
305.06656	41.8
306.07071	3.7
307.05978	1.0
308.03351	0.9
309.04047	2.0
309.07626	1.0
311.05597	19.2
312.06036	2.2
314.01157	0.7
314.04196	3.0
317.06601	9.1
319.08395	1.4
321.04010	1.1
321.07742	0.9
322.04767	1.8
323.05499	6.1
325.06955	0.8
329.06702	4.1
330.07291	0.8
335.05371	0.9
337.03445	1.4
337.07068	1.0
339.05215	1.6
341.06604	9.2
342.07098	1.0
343.04517	2.3
347.07742	12.3
348.08087	1.0
349.07297	0.8
351.04962	3.0
353.06592	1.3
363.08832	1.0
365.08737	33.3
366.09055	2.6
367.04498	0.9
369.06158	1.4
381.06061	1.9
383.07852	1.0
389.08521	0.9
393.09927	2.7
399.07291	0.8
401.08563	3.9
407.09839	8.0
416.07520	1.0
421.09076	0.9
423.10803	2.0
427.06635	0.8
433.07791	2.9
437.08731	12.1
438.09207	1.4
439.10620	1.0
441.08203	0.9
457.08072	1.0
466.17545	0.8
467.09885	7.9
468.10504	1.2
499.12460	1.3
509.10797	3.6
510.11432	1.5
526.27826	2.6
527.11859	100.0
527.18347	23.0
528.12201	14.9
528.18860	2.4
535.22015	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.1564
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15335	2.6
58.15036	2.5
59.01249	33.1
69.56897	18.5
71.01250	27.1
71.34791	2.4
72.99179	16.6
75.00743	61.9
85.02819	12.4
87.00762	6.2
89.02310	16.9
95.01228	2.7
98.20291	7.7
101.02293	17.6
108.16495	2.4
113.02323	13.1
115.00237	5.9
115.28042	2.5
116.04159	5.0
116.04940	68.2
117.05276	4.0
119.03394	5.7
128.04941	15.5
130.06503	10.3
135.02881	44.4
144.04486	3.9
154.06444	4.0
156.08026	6.6
157.05237	5.0
158.06006	98.2
159.06310	4.5
161.04465	17.8
166.06506	6.3
175.02446	5.2
182.06114	3.1
184.07625	17.6
203.10716	2.7
210.05540	100.0
211.05856	6.2
226.05058	6.5
246.07602	2.6
320.11252	5.0
364.14023	12.2
390.11877	5.5
406.11368	4.4
408.12979	72.8
409.13297	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	526.1565
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00059	1.8
52.14944	1.9
59.01250	24.3
59.34455	1.9
61.98683	5.8
66.82458	2.0
71.01258	23.9
71.50002	1.9
71.50424	3.1
72.99181	6.2
73.02810	3.7
73.86671	2.0
75.00751	62.3
83.01249	4.4
83.22880	1.9
85.02821	6.3
87.00754	30.4
89.02312	16.0
96.95879	4.2
98.02316	2.5
99.00755	8.1
101.02311	10.7
111.00762	7.3
113.02319	6.6
115.00263	76.6
116.04953	36.9
117.01843	12.0
119.03378	3.6
128.04922	7.5
130.06497	5.4
130.08611	7.0
135.02911	28.3
137.02284	3.2
139.00281	6.5
142.06549	2.3
146.35027	2.1
149.02287	2.3
156.08112	3.6
157.01295	4.0
158.06026	39.3
161.04434	6.1
170.06075	2.9
172.03973	5.1
174.01593	8.8
175.02406	100.0
182.06061	2.7
184.07594	5.8
188.07144	5.2
200.07076	6.3
209.09328	3.4
210.05533	6.4
221.06619	2.2
226.05006	2.9
242.08076	2.3
243.17235	2.7
340.18793	3.9
364.13919	2.3
408.13025	48.5
409.13226	7.2
428.55286	2.3
465.24863	5.6
466.13568	15.5
476.70880	2.2
482.27386	4.7
515.24078	2.4
526.26477	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	526.1565
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00434	1.6
58.49739	0.8
59.00963	1.1
59.01252	20.3
66.36519	0.8
70.25596	2.3
70.25939	1.3
71.01248	14.2
72.99168	2.0
73.02812	2.3
75.00729	2.7
83.01244	1.7
85.02829	4.4
87.00746	35.8
89.02321	11.5
95.01241	2.9
97.02827	1.1
99.00729	2.8
101.02316	8.6
112.98642	1.6
113.02315	5.6
116.04943	16.9
117.05235	1.1
119.03397	6.0
125.02346	1.2
128.04977	2.3
130.06491	2.8
135.02899	1.5
140.04948	1.4
142.06532	3.1
143.03343	0.9
144.04144	0.8
150.95061	0.8
153.05734	1.4
154.06541	7.2
156.04430	0.9
156.08086	5.6
158.06029	9.0
161.04471	1.7
166.06537	2.9
168.08057	3.6
170.06018	3.3
172.07661	1.0
179.05527	3.6
180.08136	1.2
181.05208	0.9
182.06039	6.6
184.07579	5.7
186.05531	1.2
188.07040	3.6
194.06050	6.1
196.07608	6.6
200.07037	1.6
210.05511	6.1
211.06047	1.4
212.07104	13.1
213.07419	1.6
216.06586	2.5
222.05594	1.1
224.07120	10.8
225.01282	1.0
240.06598	10.5
241.06970	1.3
242.08202	1.9
250.05037	2.1
266.08246	2.3
276.08408	1.1
300.08963	1.1
320.11276	1.3
399.41162	0.9
408.12903	2.4
420.12820	3.6
430.11371	2.1
480.14926	1.4
482.16531	3.4
526.15625	100.0
527.15991	16.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.1563
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80484	3.6
59.01250	37.1
61.98691	4.2
65.29507	4.3
65.97846	3.6
71.01246	32.2
71.37056	6.4
72.99191	19.8
73.02795	3.9
75.00745	48.9
85.02809	11.5
87.00748	7.8
89.02306	21.7
101.02302	17.6
104.06619	4.3
113.02319	12.6
115.00247	7.2
116.04944	73.5
119.03333	4.6
128.04953	13.6
130.06523	12.5
132.55499	4.1
135.02881	60.2
140.04947	5.1
154.06593	5.8
157.05305	4.6
158.06023	93.7
161.04459	20.1
165.45609	3.6
166.06461	4.4
175.02390	7.8
179.05571	6.3
184.07593	15.1
185.08022	5.1
185.57721	4.4
210.05550	100.0
211.05870	4.7
226.05009	9.1
235.19751	3.8
246.07654	5.2
320.11331	8.3
364.14084	10.0
390.11893	9.4
408.12973	71.9
409.13419	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	524.2351
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01241	1.2
61.98701	100.0
69.32882	1.3
69.33295	0.3
71.01244	0.9
73.02826	0.3
78.95789	0.2
84.33304	0.2
84.61522	0.1
85.02820	0.3
89.02286	0.2
97.00793	0.2
98.50089	0.2
101.02343	0.4
113.02334	0.3
168.46779	0.2
169.36972	0.2
232.38017	0.2
255.17615	0.4
256.17896	0.5
317.18823	0.2
343.15451	0.4
344.15863	1.7
453.26431	0.2
464.24490	1.6
525.17426	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.2702
Annotation	Unknow
Peak:m/z	Relative Intensity
54.31306	13.0
59.01237	24.5
59.34062	13.2
61.98695	23.7
67.22324	14.6
71.48917	18.9
72.87533	14.8
99.00746	50.0
113.05155	13.4
130.20486	14.5
133.06670	14.3
152.99417	16.9
178.39467	14.4
245.20992	14.3
317.21188	32.8
319.22604	18.8
345.20587	32.4
419.24396	34.4
437.25427	93.9
447.23773	54.3
465.24603	35.8
472.85495	14.3
477.25055	25.7
525.26965	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	525.2701
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	7.4
61.98696	1.8
66.77256	1.4
69.15929	3.6
69.16344	10.0
69.74812	1.1
71.01249	4.3
81.35851	1.2
89.87326	1.5
91.03908	1.7
94.87832	1.6
95.04864	1.5
98.03616	1.2
99.00749	47.1
100.01096	2.1
100.11771	1.3
111.08027	1.5
111.47137	1.4
116.08346	1.3
121.02830	7.7
123.00797	1.4
125.02322	2.2
135.04424	5.0
147.04425	4.1
149.02335	5.9
149.05940	2.4
151.03914	16.0
151.11194	2.2
153.66936	1.3
159.04385	2.6
161.02432	1.5
161.05894	3.2
163.03882	3.1
163.11151	1.6
165.09102	2.7
165.12840	3.0
167.10606	1.7
173.06021	1.9
174.01566	2.0
175.03964	1.8
175.07603	2.6
177.05426	1.7
177.12749	1.5
178.09901	2.3
179.10738	1.6
180.07837	1.7
187.03813	1.7
191.03415	1.8
191.10670	3.8
192.11430	5.2
193.12285	4.9
194.09430	2.7
205.12201	2.2
206.12929	1.6
215.10645	2.8
217.12135	1.6
220.11012	10.2
223.13353	1.5
233.15553	1.6
249.11168	1.8
251.05600	1.3
273.22195	2.7
277.14597	1.6
285.22101	2.8
291.23270	2.1
299.20160	1.8
301.21698	12.4
302.22006	2.1
303.23450	1.7
305.21207	1.9
315.19617	6.1
315.23343	1.7
317.21240	21.5
318.21448	2.9
319.22699	12.9
327.19617	5.9
329.21240	11.9
331.22852	4.5
333.20828	8.6
333.24268	2.8
335.22287	16.7
336.22552	3.2
341.21167	2.5
343.22803	2.3
345.20645	19.1
346.21042	3.5
347.22235	13.3
348.22647	2.7
359.22360	2.8
361.20193	3.3
363.21680	6.7
371.22473	2.1
373.20215	6.5
391.21255	7.8
403.24841	1.8
407.24377	4.1
409.26230	3.3
419.24396	24.0
420.24615	1.6
421.25824	9.5
433.25967	1.6
435.18509	1.6
435.23779	9.8
437.25409	72.2
438.25763	10.8
445.26022	1.8
447.23804	35.4
448.24167	6.8
451.27014	2.5
459.24130	2.2
461.25278	1.9
463.27042	2.2
465.24899	39.0
465.31067	2.7
466.25281	4.6
477.24884	23.8
478.25195	4.4
481.27588	3.0
489.25064	8.6
507.25879	12.5
508.26059	3.0
525.27032	100.0
526.27344	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	523.291
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01257	1.3
70.65779	1.1
70.82155	2.2
70.82478	2.0
71.01250	2.2
72.99175	6.7
83.01243	1.6
86.14209	1.1
99.00755	10.5
100.01512	1.5
111.00739	3.5
113.99472	27.8
115.00282	1.7
124.75883	1.2
128.01039	2.5
130.35277	1.2
146.65433	1.3
156.00542	48.6
157.01009	1.2
159.68629	1.3
174.01611	100.0
175.02083	3.9
188.71442	1.4
207.82497	1.2
229.14359	1.7
289.46756	1.3
331.26349	2.4
349.27502	2.9
361.27353	6.1
363.29095	2.9
391.28003	1.7
405.26492	3.4
423.27509	35.5
424.27701	4.8
456.12180	1.3
461.28918	3.8
463.26996	23.1
464.27057	3.5
475.27048	1.9
487.27487	1.7
498.32700	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2907
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	31.2
59.37194	0.5
71.49656	0.5
78.21881	0.5
110.81632	0.5
113.02376	0.5
197.47215	0.5
207.52826	0.5
301.21707	100.0
302.22046	12.3
463.27005	2.1
523.29041	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2907
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	1.0
69.18181	7.5
69.18587	1.0
71.01279	1.0
71.73949	0.8
72.99179	3.3
78.95811	0.9
83.01260	2.2
91.83188	0.7
99.00766	5.9
104.67283	0.7
111.00764	1.9
113.99481	15.8
116.27533	0.7
128.01036	1.5
145.22566	0.8
156.00539	15.7
156.37392	0.8
174.01613	100.0
175.02022	4.1
213.14830	0.8
227.20053	2.0
325.98615	0.9
361.27240	1.3
363.29135	1.3
391.28763	0.8
405.26410	1.4
423.27457	11.8
424.27740	2.0
463.26950	8.6
464.27124	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	523.2674
Annotation	Unknow
Peak:m/z	Relative Intensity
55.25276	0.4
57.03320	0.9
57.89961	0.4
59.01244	2.1
69.18367	4.7
78.95774	27.2
96.96844	1.8
98.19836	1.1
113.09623	2.7
150.09460	0.5
150.97925	0.7
152.99486	44.0
153.99878	0.7
171.00584	2.1
179.14334	1.9
195.13832	24.3
196.14191	1.6
217.17645	0.5
227.03252	5.0
245.04288	2.2
277.21713	19.4
278.22070	2.2
295.22766	82.9
296.23087	8.7
335.06857	0.6
431.22141	1.8
523.26746	100.0
524.19043	0.7
524.27045	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	523.2546
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	18.4
60.06313	2.4
61.98695	8.2
71.01225	8.2
71.50368	3.9
78.95758	5.9
85.02827	3.5
95.01304	3.0
99.00751	11.4
99.36502	2.4
105.03250	2.9
117.06984	36.1
119.04901	5.8
121.02837	5.3
123.00752	3.0
125.09618	5.1
130.51736	3.2
135.04391	5.7
145.02858	7.9
147.04372	7.9
149.02336	14.3
149.05891	2.5
152.99533	2.8
155.90945	2.8
159.04362	2.9
161.02339	3.3
161.05972	5.0
163.03900	10.6
173.05998	3.2
175.03854	4.6
175.07486	3.4
187.07614	3.1
191.03477	2.6
192.07849	2.9
213.09059	3.2
218.09406	3.9
277.14590	3.1
287.16473	17.4
288.17047	3.1
299.20132	9.7
303.24823	2.6
315.19522	7.5
317.21198	7.7
325.17923	4.9
327.19434	7.2
331.19165	7.7
333.20807	14.5
341.17413	3.9
343.19229	14.1
345.20493	10.9
359.18527	4.3
361.20276	8.8
401.22900	3.9
406.16006	4.2
417.22830	24.4
418.16833	2.9
418.22897	4.1
419.24292	7.2
433.22455	13.0
435.23825	85.5
436.17926	2.9
436.24448	12.7
445.22205	30.4
446.23090	3.8
454.18146	4.4
456.86038	2.9
463.23184	22.0
464.23407	3.1
475.23294	22.4
476.23380	5.5
487.23468	8.3
505.24377	9.6
523.25409	100.0
524.25739	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	523.2398
Annotation	Unknow
Peak:m/z	Relative Intensity
53.91230	0.9
57.03319	1.8
59.01248	23.3
69.03311	1.5
71.01254	25.8
72.99172	1.6
73.02808	4.5
74.98984	1.6
75.00741	1.1
77.54137	0.8
78.82220	0.8
81.49361	0.8
83.01264	3.5
85.02831	9.4
87.00750	21.1
89.02321	8.5
95.01276	1.5
97.02828	1.9
99.00769	4.9
99.24703	0.9
101.02312	9.0
109.65865	0.8
113.02355	4.3
117.01819	2.8
118.97978	1.1
119.03372	2.1
125.02327	2.4
141.01810	2.1
150.03108	2.4
159.02899	1.8
161.04475	16.5
165.14409	1.0
179.05534	100.0
180.05887	3.3
181.12248	4.6
199.13348	5.3
209.04488	5.5
209.11690	1.2
239.05533	1.5
243.12329	0.9
308.88940	0.8
343.17548	8.1
343.21335	1.9
361.18674	59.5
362.18915	6.0
419.13611	2.3
460.18768	0.9
463.25571	1.3
523.27979	14.3
524.28070	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	523.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00453	0.5
59.01250	6.6
71.01251	4.0
71.32439	0.3
72.99161	0.4
75.00736	0.5
75.75462	0.2
80.96378	0.8
83.01251	0.2
85.02808	0.9
85.91187	0.2
87.00752	0.3
89.02314	3.2
95.01206	0.2
101.02319	1.8
109.06470	0.8
111.08001	1.1
113.02327	1.1
117.06970	0.8
119.03402	1.1
122.03626	0.3
128.87399	0.2
131.08539	2.4
137.02328	0.3
163.11147	0.4
175.07608	0.3
175.11172	0.4
179.07005	0.4
185.13269	1.5
187.11176	0.8
213.12823	0.6
227.14366	0.3
237.16446	0.4
245.80170	0.2
253.15988	1.2
255.17509	43.3
256.17847	3.7
271.17017	0.2
285.93466	0.2
299.16507	4.9
300.16772	0.5
317.45758	0.2
343.15472	100.0
344.15799	10.8
361.17072	0.2
523.21350	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	523.2186
Annotation	Mascaroside
Peak:m/z	Relative Intensity
55.01754	1.8
57.03318	1.1
58.00456	0.8
59.01251	24.0
59.32198	0.5
59.95463	0.5
65.60597	0.4
66.42970	0.5
69.90800	0.4
71.01254	18.3
71.50996	0.8
72.99174	1.3
73.02818	4.3
73.16670	0.4
83.01249	3.6
85.02831	8.2
85.99973	0.7
87.00759	1.9
89.02319	7.5
93.03333	1.4
95.01251	2.2
99.00748	2.2
101.02322	14.5
108.02093	0.8
109.02850	5.1
111.00764	0.7
111.04366	0.6
113.02334	5.9
119.03378	4.1
121.02843	11.7
122.03635	10.3
123.04422	3.5
124.01542	1.8
129.03308	0.7
134.03635	1.0
135.04431	2.8
136.05211	1.7
137.02333	2.3
145.89868	0.5
146.03654	4.5
147.04439	6.8
149.02322	2.7
149.06017	1.0
149.92229	0.5
150.03102	1.1
151.03876	0.5
154.02594	1.7
161.04483	1.1
161.05981	3.5
162.06729	0.7
163.03911	1.0
164.04692	4.3
165.05489	24.4
166.05804	1.6
173.05975	0.9
174.06763	0.6
175.03999	0.6
175.07507	1.0
178.06229	1.0
178.63252	0.5
179.05609	1.0
179.07057	13.9
181.72940	0.5
191.07047	1.4
209.08070	0.7
223.09676	0.9
270.09079	0.5
298.08755	0.6
298.12140	1.2
313.10870	1.6
313.14413	1.7
315.12335	2.0
327.12210	0.5
328.13065	2.1
343.11801	2.7
343.15488	6.1
344.15714	0.9
346.14252	10.3
347.14847	3.7
361.16553	94.8
362.16888	11.7
508.19424	0.6
523.21808	100.0
524.22180	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	523.203
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01743	0.4
57.03328	0.4
59.01251	2.0
59.94465	0.3
67.36191	0.3
69.03314	0.5
70.97674	0.8
71.01242	4.8
72.99171	0.8
73.02814	3.1
75.00739	0.7
83.01261	0.8
85.02817	3.5
87.00746	11.4
89.02322	1.0
89.76144	0.4
91.00224	0.5
93.83509	0.4
95.01279	0.6
97.02831	1.3
99.00748	3.0
101.02319	2.0
107.64121	0.3
113.02299	0.5
117.01829	2.1
125.02333	3.0
135.08043	1.6
137.09625	8.2
141.01822	1.6
155.10684	100.0
156.11024	5.5
161.04469	9.9
177.03964	0.6
179.05530	39.7
180.05876	1.1
181.08612	1.0
199.09691	42.4
200.09984	2.3
226.12494	0.4
269.12759	0.5
272.12744	0.4
331.13062	0.8
343.13962	16.0
344.14517	1.8
361.15024	42.0
362.15393	4.1
523.14600	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03336	0.5
57.66185	0.6
59.01245	2.2
71.01254	6.5
73.02818	3.8
75.00751	1.0
83.01270	1.4
85.02821	4.9
87.00750	13.1
89.02294	0.8
97.02816	1.1
99.00755	3.4
101.02299	1.3
113.02345	0.7
117.01815	2.8
125.02287	3.3
135.08067	1.7
137.09610	7.8
141.01826	1.0
146.31171	0.6
155.10674	100.0
156.11005	5.0
159.02902	1.1
161.04459	13.8
175.02403	1.0
179.05525	72.2
180.05885	2.2
181.08646	1.7
199.09683	48.0
200.10031	3.0
343.09677	0.9
343.13953	24.9
344.14325	3.4
361.15005	58.3
362.15356	5.7
437.78989	0.7
492.85489	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01226	1.2
61.98700	4.1
62.92205	0.5
63.91140	0.4
71.01251	0.6
71.50702	0.9
71.51091	0.7
80.71225	0.5
87.04239	0.5
89.02293	0.6
108.02071	0.5
109.02823	2.1
121.02845	1.9
135.04407	2.3
139.66722	0.5
145.02824	1.2
146.03625	22.7
147.04237	1.5
161.02316	0.8
161.05981	6.5
162.06264	0.5
163.03917	1.0
164.04706	16.1
165.05333	1.9
179.07045	33.7
180.07372	1.4
181.06602	0.5
185.06024	0.7
199.07457	0.8
209.06039	1.6
210.06752	0.6
211.03938	1.4
212.04678	3.2
213.05527	0.8
224.04527	0.8
225.05486	1.5
226.06293	0.9
227.07028	2.0
237.05508	4.6
238.06299	0.9
239.03476	2.8
239.07112	1.0
240.04219	41.2
241.04541	4.0
248.04616	0.9
253.05031	1.6
254.05734	3.6
255.06577	10.2
256.06979	0.6
264.04230	0.7
265.05042	6.8
266.05588	1.3
267.06586	1.0
268.07465	0.8
269.08163	3.3
270.08948	4.0
271.09506	0.5
280.07260	0.5
282.05286	1.0
283.06107	17.3
284.06546	1.7
295.06116	1.6
297.07678	3.1
298.08435	37.4
299.08752	4.3
310.08450	1.2
311.12677	0.7
313.10794	100.0
314.11172	10.8
325.10822	1.2
328.09467	1.7
341.88531	0.5
343.11844	17.6
343.16003	1.1
344.12228	3.0
460.14609	0.6
475.17682	2.4
523.19916	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	522.2192
Annotation	Unknow
Peak:m/z	Relative Intensity
56.30838	0.6
59.01254	21.9
61.71949	0.8
61.98705	100.0
69.71407	1.5
69.71821	2.7
71.01257	2.4
72.09863	0.8
75.00761	0.7
85.02837	1.6
87.00726	0.7
101.02353	2.4
135.03456	0.6
140.61951	0.6
308.07245	0.8
309.07010	0.7
373.22397	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	522.2469
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	0.7
59.01248	5.5
60.39564	0.4
61.98690	0.5
71.01243	1.5
78.95774	13.3
81.03307	0.4
83.01186	0.5
85.02812	1.0
97.06467	0.8
100.43506	0.4
101.02330	1.0
101.80695	0.4
113.02327	0.7
119.04854	0.5
121.02812	2.3
122.03629	3.2
123.04408	0.5
131.43242	0.4
132.49037	0.4
135.04457	0.9
136.05186	1.5
140.01073	5.0
149.05946	0.5
152.99486	1.9
161.04543	0.4
163.03844	0.7
164.08313	1.5
165.12767	0.6
167.14333	4.4
168.04179	1.2
171.00526	1.2
179.14236	0.7
193.15895	3.8
196.03815	2.4
207.17480	3.5
208.53194	0.4
214.04784	6.7
216.19379	0.5
231.17500	1.9
233.15466	1.4
247.16971	1.1
249.18559	32.9
250.18918	2.5
256.62289	0.5
265.17953	0.6
275.16525	22.2
276.16830	2.0
281.21249	4.7
282.21542	0.8
293.17578	64.4
294.17908	6.7
307.19186	2.1
325.20169	100.0
326.20511	10.7
435.23819	1.0
445.22287	0.8
462.31720	0.9
471.33743	0.4
522.24744	25.7
522.31036	0.9
523.25037	5.2
523.32159	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.1853
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	1.0
59.01251	9.2
61.98704	6.5
63.45795	0.6
63.96104	1.3
69.03328	1.0
71.01252	11.3
71.50751	0.8
72.99187	1.7
73.02816	3.2
78.01868	0.6
78.95771	18.3
78.96227	1.1
78.98457	5.8
79.95605	10.3
80.96388	60.9
81.03312	1.1
83.01228	1.3
83.04900	1.3
83.96991	0.6
85.02820	5.5
87.00735	3.1
89.02313	1.4
94.97954	14.6
95.01254	1.3
96.95883	0.9
96.96825	1.5
97.02818	1.5
97.83897	0.7
99.00751	1.4
101.02328	6.1
106.97961	3.7
107.04898	0.8
109.02766	1.0
113.02303	2.2
121.06409	0.7
122.59779	0.6
122.97456	5.3
125.02298	4.2
127.03908	0.8
133.02824	1.2
134.97470	5.0
136.99037	1.8
139.07538	0.8
148.99026	5.5
152.98508	7.5
152.99524	2.5
164.98541	13.2
166.99983	1.0
171.00520	2.4
180.14590	0.7
182.99623	2.8
206.99638	2.8
218.05489	0.7
223.13280	2.8
225.00691	19.0
226.00865	0.7
237.52206	0.7
243.01736	2.0
245.15417	0.7
255.77669	0.6
285.04080	3.9
287.16547	3.2
297.04022	2.7
299.04709	3.2
301.03436	1.3
325.03427	1.2
327.05148	0.9
337.03708	0.7
343.04626	4.2
411.07007	3.8
429.08167	1.7
431.26410	0.7
449.27637	1.3
453.62158	0.7
522.33466	2.5
523.18420	100.0
523.34753	5.4
524.18719	15.5
524.26270	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	521.3329
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01750	0.9
57.03307	1.1
57.68732	0.4
58.00470	0.4
58.59513	0.3
59.01247	32.0
60.01572	0.4
61.98688	1.5
68.99641	0.3
70.00554	0.4
71.01251	12.2
71.50530	0.4
72.99161	1.0
73.02812	3.5
78.95775	1.0
83.01235	2.4
85.02814	4.7
87.00746	1.0
89.02328	2.6
95.01257	0.9
97.02798	0.4
99.00753	1.3
101.01707	0.6
101.02321	7.4
111.00758	0.6
113.02331	4.3
113.97310	0.4
119.03419	0.9
121.02857	0.4
125.02374	0.4
143.03419	0.4
161.04468	1.7
161.15547	0.4
169.12292	0.4
211.07643	1.2
221.06462	0.4
237.72533	0.3
284.85330	0.4
313.23776	2.0
317.11835	1.1
317.26935	0.9
341.26981	2.9
358.61371	0.4
359.27994	18.2
360.28372	2.1
461.31079	3.9
462.31281	0.6
473.18723	0.4
479.32050	1.7
490.20267	0.5
502.74091	0.4
503.32050	1.4
521.33264	100.0
522.33582	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	521.3331
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01765	0.8
57.03316	1.2
58.00476	0.6
59.01250	31.0
60.01565	0.4
61.98694	0.3
69.03320	0.4
70.61813	0.5
71.01253	11.0
71.04865	0.4
72.62937	0.2
72.99178	0.7
73.02819	3.2
78.95780	0.3
80.19221	0.3
83.01251	1.5
85.02827	5.0
85.06462	0.4
87.00756	0.9
89.02316	3.7
95.01241	1.2
97.02808	0.3
98.20342	0.3
99.00745	1.1
101.02325	6.2
109.78960	0.2
111.00764	0.5
113.02339	4.5
119.03387	1.2
125.02303	0.7
141.01785	0.3
143.03368	0.7
161.04477	1.0
171.13849	0.2
187.21915	0.2
290.11075	0.3
295.22748	0.7
311.25714	0.5
313.23892	2.7
314.24152	0.3
317.26996	2.6
318.27478	0.3
337.76569	0.3
341.26941	5.7
342.27252	0.7
357.26443	0.4
359.28024	22.9
360.28333	3.2
461.31216	10.7
462.31601	1.8
479.32208	6.3
479.38571	0.5
480.32629	1.0
503.32327	1.1
521.33319	100.0
522.33636	16.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
55.64421	0.5
59.01250	35.4
61.98700	100.0
69.24317	3.0
69.24741	2.2
71.01257	3.5
73.02811	1.2
75.00744	0.6
75.36343	0.5
85.02825	1.5
88.13587	0.6
101.02301	1.1
113.02339	1.4
130.42934	0.5
143.59874	0.7
161.04475	1.1
161.14366	0.6
207.31461	0.6
231.27231	0.6
338.45493	0.6
373.22226	2.8
415.23566	0.9
450.50818	0.6
458.05136	0.6
474.08386	0.6
522.26385	0.9
523.27954	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2753
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29601	0.5
310.68234	0.5
317.21179	100.0
318.21500	13.4
325.20291	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.3329
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01699	0.3
57.03247	0.9
59.01171	7.8
59.01498	0.9
61.98626	0.6
69.03277	0.4
69.24728	1.0
69.25153	1.4
71.01170	5.1
71.04819	0.4
72.99100	0.6
73.02735	1.3
78.95708	0.2
81.47252	0.2
83.01172	0.7
84.92936	0.3
85.02815	2.7
87.00742	3.8
89.02303	1.6
95.01181	0.3
97.02770	0.4
99.00644	1.1
101.02315	3.1
111.07945	0.2
113.02334	2.0
117.01727	0.5
119.03326	0.4
125.02232	0.7
127.07479	0.4
127.11074	0.3
129.01779	0.3
135.04283	0.3
141.01776	0.4
141.12685	0.5
159.02815	0.5
161.04445	3.6
162.04660	0.3
179.05521	20.6
180.05737	0.7
185.11676	0.3
273.13171	0.4
285.20499	0.5
295.22806	0.5
311.22314	0.5
311.25836	0.7
313.23840	5.9
314.24234	0.5
341.26859	2.1
342.27121	0.3
357.26398	1.2
359.27997	100.0
360.28351	11.9
386.28751	0.3
424.14850	0.5
448.53238	0.2
461.31281	1.1
479.32068	0.6
503.31775	0.5
521.18311	1.8
521.33356	27.0
522.17438	0.6
522.33655	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	521.2029
Annotation	(2S,3R)-Dihydrodehydrodiconiferyl alcohol beta-D-glucoside
Peak:m/z	Relative Intensity
59.01248	2.4
62.63828	1.5
68.62457	1.5
70.85650	3.5
72.99178	1.9
84.09142	1.3
91.00302	1.8
121.02808	1.4
135.04413	2.5
137.02332	1.5
145.02843	1.5
147.04457	2.6
148.05171	3.5
149.06021	2.5
150.03094	2.0
159.04398	4.2
160.05173	7.2
161.05998	9.8
162.03105	3.6
162.06746	4.0
163.03868	4.9
171.10205	1.9
172.05214	51.8
172.06744	2.9
173.05797	3.3
174.03162	4.7
175.07533	5.3
177.05473	7.0
178.06259	6.1
178.44527	1.5
180.04111	1.7
187.05913	2.9
187.07561	45.6
188.07849	2.2
189.05466	3.4
190.06273	20.3
191.07082	12.6
192.04166	2.0
193.04930	5.9
204.07950	2.5
205.08632	10.8
207.06621	1.8
210.05344	3.2
240.06462	1.8
242.88217	1.3
284.10446	2.0
293.08231	2.7
296.10623	2.0
298.21487	1.6
299.12778	3.0
304.42703	1.6
308.10580	2.7
311.09595	1.8
311.12790	7.7
315.12231	2.6
323.13052	2.4
329.10120	2.1
329.13943	26.6
330.14096	2.1
341.13916	52.8
342.14139	6.5
359.15009	100.0
360.15375	10.7
521.26434	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	521.2515
Annotation	Unknow
Peak:m/z	Relative Intensity
54.30358	0.6
59.01235	2.2
59.49220	0.6
61.98674	1.2
66.13183	0.7
70.70705	1.6
71.01270	1.1
78.95770	72.6
82.59286	0.6
87.00745	0.8
94.36044	0.6
96.95884	1.0
96.96828	5.8
99.92448	1.0
111.08054	0.8
116.92716	0.9
117.86751	0.7
119.45133	0.7
135.04402	1.3
152.99484	60.9
153.99811	0.9
161.02370	1.7
171.00560	10.4
171.10173	0.8
172.79391	0.7
174.01585	1.4
175.02362	2.2
179.10652	0.9
179.14357	1.1
195.13815	14.9
196.14258	0.7
205.12271	1.6
211.13292	0.9
214.49966	0.7
223.13333	8.6
224.13806	0.9
227.03189	5.4
228.13692	0.9
231.21030	0.8
245.04245	2.3
256.13171	1.1
261.42270	0.6
265.21805	1.0
275.20093	5.5
293.21204	69.5
294.21548	6.4
325.23712	2.4
347.13184	0.8
349.14822	1.2
404.30002	0.7
409.16391	0.9
429.20691	1.4
433.13211	0.8
452.18286	1.1
461.12918	1.0
521.25153	100.0
522.27838	26.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2603
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01750	3.7
56.60565	0.8
56.99768	0.7
57.03318	3.2
58.00447	1.5
59.01249	77.0
65.64742	0.7
69.03320	1.3
70.44022	2.8
71.01252	56.0
72.01585	1.2
72.99170	3.4
73.02818	22.7
79.40802	0.7
83.01263	11.3
85.02818	24.4
87.00757	3.3
87.04411	0.9
89.02318	9.4
95.01276	3.7
97.02807	1.7
99.00753	8.7
101.02322	37.7
102.02621	0.9
103.03867	4.7
113.02320	17.8
115.03840	1.3
119.03352	5.0
125.02321	5.1
127.03830	0.8
129.01865	0.7
131.03389	1.3
143.03404	3.8
145.04961	1.5
159.02852	3.6
161.04466	31.8
162.04774	1.2
163.06027	5.2
165.05457	0.8
205.03508	1.1
205.07141	2.8
229.07126	1.6
247.08232	2.6
307.10178	1.8
315.18106	50.1
316.18433	4.8
339.50809	0.8
461.23904	100.0
462.24243	15.0
521.21869	5.3
522.22687	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84294	0.5
70.83309	1.3
71.01263	2.4
75.06759	0.4
85.02817	1.2
101.02291	1.1
113.02307	1.4
121.02825	3.0
122.03614	1.6
123.00741	1.2
123.04333	0.9
124.01528	0.9
135.04294	0.5
136.05185	1.3
137.02336	1.3
137.05997	0.5
143.04901	0.8
146.03650	0.8
147.04434	1.9
149.02365	1.7
150.03123	5.4
158.03658	2.8
159.04413	7.9
160.05200	25.3
161.04501	0.7
161.05966	8.0
163.02661	0.5
163.03914	5.9
164.04689	5.2
173.06013	3.1
175.07550	23.8
176.07867	1.0
177.05479	7.1
178.06271	8.4
179.06912	1.3
192.07870	1.1
193.08661	3.1
197.11806	0.5
205.03482	0.5
314.11511	0.8
315.12347	4.0
316.12854	0.5
329.13919	100.0
330.14240	12.3
359.15002	2.8
392.04608	0.5
432.29465	0.5
477.17639	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2028
Annotation	Lariciresinol-9-O-beta-D-glucoside
Peak:m/z	Relative Intensity
53.63382	1.1
55.01757	1.8
57.49951	1.2
58.00453	4.7
59.01249	100.0
60.01575	1.4
61.31762	0.9
66.46222	1.0
69.51822	6.2
71.01251	68.4
72.99171	4.0
81.76230	0.9
83.01252	2.1
85.02833	9.1
87.00742	4.5
89.02315	85.3
90.02624	1.5
95.01259	3.3
101.02320	40.9
102.98463	6.6
108.02061	2.0
109.02854	1.6
113.02328	30.1
117.44210	0.9
119.03390	43.8
119.05663	1.4
121.02859	2.6
123.04434	1.6
123.86421	1.2
131.03365	4.6
137.02313	1.7
143.03397	9.6
149.04459	3.0
159.04401	3.5
160.05193	6.7
161.04448	8.0
161.05919	3.0
172.05138	4.0
173.05986	3.0
175.07545	4.5
179.05537	16.9
189.05450	5.5
190.06210	7.4
197.85687	1.1
205.08600	5.8
263.57993	1.1
281.08264	1.8
296.10443	2.8
311.12863	6.7
326.11282	1.2
329.13818	3.4
341.13919	30.5
342.14255	3.0
371.62827	1.4
503.19385	1.3
521.19958	7.6
522.19641	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.1875
Annotation	Unknow
Peak:m/z	Relative Intensity
58.48254	6.0
59.01251	100.0
62.79766	5.6
63.36625	6.4
69.03318	10.3
71.01252	76.0
71.52581	6.7
71.52943	7.7
72.99191	10.8
73.02812	26.5
78.16279	5.9
81.03304	9.5
85.02826	22.5
87.00697	7.1
88.81890	6.2
89.02322	35.7
95.10829	5.4
97.02810	15.2
101.02335	48.1
103.03900	23.2
119.03374	19.5
123.00769	18.3
125.02351	50.2
138.03096	26.5
145.04948	6.6
152.03056	6.4
163.06029	54.4
247.08092	13.2
248.82573	6.6
307.10294	30.2
380.50494	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	521.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01730	0.9
57.03306	1.0
58.00465	1.9
59.01249	40.9
61.98686	3.5
62.68053	0.6
69.58977	1.4
69.59386	3.8
71.01252	35.4
72.99163	3.1
73.02797	3.3
75.00711	0.8
77.69342	0.8
83.01244	1.3
85.02823	7.5
87.00729	1.6
89.02316	29.5
91.39918	0.7
95.01238	2.4
99.00732	1.2
101.02320	16.0
113.02335	11.6
113.54538	0.7
119.03400	8.4
121.02819	1.5
131.03375	1.4
135.04424	1.0
143.03375	3.5
146.03636	4.9
149.04459	0.9
161.04492	4.7
161.05746	0.9
163.03900	0.9
164.04684	7.9
179.05545	11.6
179.07034	100.0
180.07422	4.3
257.08298	0.9
300.10257	0.8
359.14987	12.7
360.15173	1.5
373.12607	0.8
521.20178	7.4
522.20398	1.4
549.59888	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.1777
Annotation	Unknow
Peak:m/z	Relative Intensity
55.64548	0.5
57.03291	0.5
58.00449	1.0
59.01249	2.9
60.29344	0.6
70.98999	1.4
71.01248	3.7
73.02818	1.5
77.84065	0.5
78.23367	0.5
83.43857	0.5
85.02811	1.7
91.46899	0.6
97.34688	0.5
101.02315	1.0
111.00747	0.6
113.02386	0.9
122.05959	3.5
124.07565	1.1
129.01776	0.7
132.04428	1.2
144.04413	2.1
145.05191	0.8
146.05948	2.2
147.03197	1.0
148.03851	0.8
150.05505	1.5
160.03920	3.0
161.04663	0.5
162.05472	1.1
172.03918	4.2
173.04659	0.8
174.05548	2.7
176.03459	0.7
176.07076	1.9
188.03574	0.6
188.07022	0.7
189.04164	0.8
190.05006	2.8
192.06581	0.8
200.03563	0.7
202.04958	1.7
203.05785	1.2
204.06580	11.1
205.03413	1.0
205.07161	1.8
210.05602	0.6
214.04996	0.7
215.11714	0.6
216.06563	1.0
218.04449	0.8
227.08086	0.9
229.13205	0.7
230.04453	1.0
231.05249	1.3
232.06100	1.9
237.10289	1.2
238.10979	1.9
239.08165	0.6
239.11778	1.3
240.08907	1.3
241.09750	2.3
248.05614	4.6
251.11839	1.3
253.06062	1.3
253.09834	1.1
253.13438	8.2
254.11676	1.3
255.11308	1.5
262.07202	2.2
263.07968	1.9
265.05896	0.6
267.07727	2.4
267.11346	0.8
268.08392	2.0
269.09326	1.0
269.12949	2.1
270.09982	0.9
274.07147	1.0
279.07645	0.7
280.08481	1.1
281.09268	3.9
281.12363	0.6
282.09921	2.0
283.10919	3.4
285.12634	0.8
287.13940	1.2
295.07559	0.9
295.10840	4.4
296.11475	4.2
297.08984	1.2
297.12439	25.2
298.12793	3.2
309.08871	0.8
311.14032	2.5
313.12042	0.8
314.35977	0.6
323.10358	2.4
323.13919	1.0
325.11917	6.5
326.12213	1.0
327.09714	0.9
327.13318	1.2
328.10739	1.5
329.15100	1.6
337.11859	1.3
339.13364	1.0
341.11389	1.3
349.11890	0.8
353.11499	2.7
355.12979	37.1
356.13373	4.6
359.12521	0.7
359.17023	0.8
361.00049	0.6
363.09964	1.3
365.11432	1.1
367.12778	3.7
368.13422	0.8
369.10666	1.0
371.12631	0.7
381.10855	2.3
387.15643	2.8
391.13010	1.1
399.11908	15.9
399.16818	1.1
400.12192	1.8
401.13489	8.6
402.13754	1.6
411.11905	1.8
413.13458	1.5
431.14548	100.0
432.14816	15.3
443.14609	8.6
444.14764	1.5
453.12823	0.7
461.15588	12.7
462.15924	2.1
467.14322	2.2
473.15369	0.7
485.15616	5.6
486.15503	0.9
503.16696	2.6
521.17767	33.9
521.25653	2.2
522.18268	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	521.1299
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01767	1.5
57.03323	2.2
59.01252	25.3
61.98711	2.6
69.03307	1.0
69.17976	5.7
69.18402	3.9
69.74816	0.8
71.01249	16.5
72.99178	2.5
73.02824	5.0
74.98994	1.1
75.00756	1.8
78.95795	1.5
83.01265	3.3
83.04886	1.0
85.02819	11.5
85.03219	0.9
87.00769	2.3
89.02329	7.1
93.03362	3.3
95.01300	1.7
95.96380	0.8
98.19755	1.7
98.63696	1.1
99.00750	1.2
101.02319	9.6
107.04907	50.1
108.05227	2.0
109.02836	1.7
111.00769	1.3
113.02342	5.4
119.03432	2.8
121.02839	22.8
122.03636	29.5
124.01571	2.8
125.02334	1.7
129.01884	1.8
133.02882	0.9
134.17627	0.9
136.98950	0.8
137.02335	6.4
150.03139	1.8
150.58719	1.0
151.03899	2.0
153.01910	1.6
154.02596	5.4
159.02933	0.9
161.04546	1.9
182.02151	4.8
191.01939	1.3
199.42950	1.0
211.07608	5.1
212.08008	2.7
213.08275	1.6
229.08655	73.1
230.08940	5.8
230.66132	1.1
255.06612	1.4
273.07672	41.1
274.08124	2.5
286.58115	1.0
297.12601	2.6
313.23917	3.0
337.70483	1.1
341.26953	2.3
355.13150	1.6
359.27988	23.6
359.32166	1.4
408.34698	0.9
435.12854	12.1
436.13611	2.3
477.13998	100.0
478.14456	15.0
480.28372	1.0
503.33209	1.4
520.32367	2.8
521.33484	93.4
522.34326	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	520.2334
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07018	1.1
56.54227	1.0
58.02846	14.7
59.01248	10.9
61.05798	1.1
61.93207	1.1
61.98684	3.4
66.03336	1.7
71.01247	4.3
72.00780	2.7
72.99178	1.5
73.02807	1.8
74.01930	1.9
74.02342	30.3
81.04410	1.6
82.02834	4.0
84.04375	1.7
85.02814	1.8
85.04346	1.1
86.02348	11.0
86.05932	1.5
87.05501	5.2
89.02287	2.2
95.02391	1.4
95.52203	1.0
96.04404	1.1
97.03952	2.6
99.05519	28.0
100.05866	1.8
101.02290	1.8
101.07066	6.6
102.05477	4.2
109.03944	5.0
109.07600	1.5
111.05515	2.8
112.03905	3.8
113.02359	1.8
113.79659	1.3
123.05553	2.8
124.07584	1.5
125.03466	6.9
125.07121	1.2
127.04992	5.1
128.03426	72.0
129.03729	2.8
135.05524	9.3
141.06557	3.9
143.04524	100.0
144.04900	2.7
145.06078	3.9
146.04497	9.5
153.06595	7.1
155.08269	1.1
160.00642	1.6
166.09734	4.1
167.04507	5.6
167.08212	7.5
170.03221	3.5
170.85233	1.3
171.04036	1.5
177.93793	1.2
179.02991	1.8
179.04526	25.9
180.04750	1.7
181.06076	2.8
185.05577	3.4
192.07698	4.1
195.13779	2.3
197.05525	4.4
210.08783	21.1
211.09105	1.4
213.14844	8.2
229.32019	1.6
236.06898	1.3
247.13751	10.2
254.07803	48.2
255.08177	2.4
269.38791	1.1
272.08868	65.9
273.09070	5.7
274.09293	1.9
307.07996	3.3
308.07419	9.7
335.87628	1.3
359.20111	1.5
391.19153	9.8
502.22318	13.5
520.23267	87.5
521.23352	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	520.2678
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	0.5
61.98701	0.6
71.51491	0.7
78.95770	47.0
96.96832	5.7
97.84132	0.3
108.70454	0.3
150.97955	1.6
152.78725	0.3
152.99481	100.0
153.79578	0.3
153.99837	1.7
171.00539	4.8
196.62476	0.4
211.13301	0.8
245.62291	0.4
279.23373	1.1
291.19601	0.4
302.10016	0.3
309.20667	2.5
344.60760	0.3
378.91153	0.3
433.23541	21.4
434.24008	2.9
492.20905	0.4
503.25912	0.3
503.33478	1.1
520.26825	4.4
520.33643	0.6
521.27460	0.7
521.34875	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2676
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01233	0.6
69.19860	1.8
78.95768	45.3
83.22449	0.2
88.76109	0.2
96.96836	5.5
130.64128	0.2
139.48965	0.2
150.97910	1.7
152.99478	100.0
153.99800	1.8
165.81209	0.2
171.00549	4.6
171.06033	0.2
279.23233	1.3
280.23550	0.3
433.23566	22.1
434.23837	3.3
520.26666	3.7
521.27112	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.1094
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03307	5.0
59.01239	15.3
64.68738	4.0
65.99725	5.2
69.03329	7.4
69.34110	39.9
71.01252	9.6
81.03320	6.2
83.01254	6.5
85.02835	9.9
93.03325	6.0
95.01283	9.3
97.02818	15.1
98.19857	8.4
99.00751	8.2
101.02304	7.6
107.04912	4.0
109.02843	20.6
109.80157	3.7
111.00737	10.6
113.02338	5.5
121.02811	8.5
122.06073	7.7
123.00777	7.6
123.04382	13.9
124.01487	5.2
124.07486	4.9
125.02335	29.9
132.04480	6.3
133.02827	17.7
135.04425	5.3
136.95268	4.3
137.02354	29.5
139.03841	8.9
141.01807	11.8
144.04471	5.2
146.06059	5.4
146.73080	4.2
147.04449	5.7
148.03923	8.4
149.02350	21.4
150.03056	4.6
151.00240	13.1
151.03885	11.7
152.01059	5.4
152.03391	5.0
152.07069	43.5
153.01849	21.2
160.03937	7.0
161.02394	10.0
162.01845	8.5
163.00203	7.3
163.03911	9.1
164.01001	4.3
165.01828	24.8
166.02617	8.1
167.03407	34.2
172.03871	5.1
174.05493	7.0
176.03419	15.7
177.01810	17.3
178.99805	8.6
179.03375	19.1
181.01308	9.3
183.02881	13.1
189.01900	8.3
190.02660	4.3
190.05029	5.3
191.03438	6.6
193.01366	35.3
195.02895	17.0
197.04399	4.9
204.03085	4.7
204.06509	6.0
205.01390	10.3
206.02148	3.9
206.04535	24.2
207.02904	7.3
209.00815	9.0
213.05461	5.8
216.02913	6.3
219.03014	5.7
221.00850	10.6
222.03957	4.8
223.02403	13.2
232.02419	13.7
235.02354	9.1
236.05644	6.8
243.03014	6.9
251.01848	15.4
253.13425	11.4
269.04453	7.1
271.02524	5.6
281.09042	5.4
285.03922	9.9
297.04132	8.6
297.12399	26.3
298.04791	5.0
299.01929	11.3
299.05188	6.2
301.03516	6.8
313.03546	12.3
314.04156	11.9
315.04712	6.0
315.84143	4.9
324.07245	9.5
325.11765	7.5
326.08972	25.7
329.02728	7.5
342.03882	5.8
343.04636	14.2
345.45282	5.6
355.04230	5.2
355.12851	29.1
357.05627	9.1
367.12830	5.1
371.06281	5.0
382.05612	18.8
399.11908	30.0
400.06665	48.3
401.07074	7.7
401.13260	6.5
430.07758	11.2
431.14597	90.9
443.14517	6.6
461.15604	11.3
462.08002	12.8
463.08661	7.3
480.08704	8.7
493.09488	4.8
502.09979	42.0
503.10556	5.2
520.10907	100.0
521.10663	15.3
521.17798	27.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.3323
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	2.1
59.01246	2.7
69.80286	2.2
69.80694	4.6
78.20744	1.3
78.95785	1.3
85.46625	1.3
96.95898	2.3
98.20596	1.1
108.82494	1.1
111.08041	3.6
152.99535	2.2
165.12756	22.0
166.13075	1.9
181.12343	1.8
183.13826	100.0
184.14221	6.7
185.11737	2.6
199.13338	1.5
209.11772	3.0
227.12852	66.3
228.13200	6.4
247.20636	4.1
273.18597	2.1
290.78952	1.3
291.19644	38.2
292.20004	4.8
309.20703	71.3
310.20920	7.3
349.27435	3.7
457.33365	5.0
458.33212	1.5
475.34183	2.3
501.32263	12.2
502.32767	2.7
519.26093	2.1
519.33191	25.3
520.33484	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	519.3319
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67275	1.2
53.16150	1.2
56.61481	1.3
59.01230	2.0
62.12145	1.1
66.93980	1.2
71.01247	1.4
71.50485	2.3
73.37460	1.4
78.95786	1.5
111.08037	2.0
113.09609	1.5
116.29558	1.1
124.14703	1.2
152.99507	2.6
157.04198	1.0
165.12764	15.6
169.12218	1.5
172.17740	1.2
181.12245	3.6
183.13835	34.4
184.14128	2.7
185.11720	6.6
189.09366	1.5
193.12350	2.2
195.13766	1.5
199.13332	3.7
209.11769	2.4
211.13283	1.7
227.12831	27.2
228.13200	2.3
240.13591	1.6
247.20621	3.4
265.21829	1.7
273.18668	2.9
281.21136	2.0
291.19662	27.4
292.20004	3.9
309.20697	100.0
310.20981	11.1
321.37161	1.4
380.64670	1.4
457.33438	2.6
483.31177	2.6
501.32217	26.1
502.32507	5.1
519.20184	1.5
519.33105	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	519.3686
Annotation	Cordianol C
Peak:m/z	Relative Intensity
57.03336	0.3
58.00459	1.1
59.01248	7.8
60.99186	0.5
61.98698	4.4
62.36879	0.2
66.17814	0.2
71.01247	2.4
71.04893	1.9
71.50050	0.3
73.02833	1.1
78.95794	0.2
83.01267	0.4
85.02808	1.3
88.18370	0.2
89.02333	0.8
99.04404	0.5
101.02323	1.2
101.05954	7.5
113.02332	0.9
128.99168	1.1
129.99533	0.4
152.99542	0.3
159.02983	0.2
161.04535	0.3
163.53470	0.3
171.00713	0.2
177.16524	0.2
199.13411	0.3
283.19183	0.3
311.29575	0.2
325.25320	0.4
339.25546	0.7
351.27051	0.2
353.28650	0.9
357.26398	1.9
369.28091	0.4
371.29489	0.5
383.29623	0.3
399.29047	1.5
413.30762	0.3
459.29758	0.8
460.83481	0.2
473.36346	0.3
477.30331	0.3
501.35956	6.3
502.36523	1.0
505.35489	0.3
506.35504	0.3
519.37128	100.0
520.37427	19.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.3174
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01136	0.6
55.01753	0.6
55.24882	0.5
59.01250	11.8
61.98712	0.7
64.83616	0.4
70.64996	1.2
71.01252	7.9
72.99166	1.1
73.02827	1.4
76.19672	0.5
83.01244	0.9
85.02829	3.0
87.00722	0.7
89.02315	3.5
91.60461	0.4
95.01245	0.9
99.00718	0.6
101.02306	5.8
109.72936	0.5
113.02328	3.0
117.97102	0.4
119.03400	1.1
161.04416	0.5
167.72482	0.5
174.98091	0.5
185.11768	2.0
195.13811	0.8
205.12314	0.7
223.13358	9.3
224.13736	0.6
253.09239	2.7
297.24533	0.6
309.24377	3.5
327.25366	7.6
328.25928	0.6
339.25330	8.2
340.25549	0.8
357.26440	18.9
358.26663	2.4
396.87955	0.6
459.22525	1.1
477.23859	0.7
489.30582	2.9
501.30801	0.8
519.31738	100.0
520.32007	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	519.281
Annotation	Unknow
Peak:m/z	Relative Intensity
54.77371	0.4
59.01251	100.0
60.01588	1.5
71.01255	6.4
71.52476	0.7
72.67407	0.4
73.02837	2.1
76.60500	0.4
83.01263	1.0
85.02807	2.4
85.98383	0.4
87.04368	0.4
89.02332	1.8
95.01302	0.6
97.02866	0.5
101.02335	4.7
113.02306	2.1
117.97201	0.8
119.03360	0.5
125.02342	0.7
126.97225	0.4
143.03439	0.6
159.02879	0.4
159.04398	0.7
161.04478	1.8
180.10216	0.4
211.07625	0.7
218.79971	0.4
280.07330	1.1
285.04306	0.6
286.22797	0.5
305.08429	1.3
306.09143	0.6
307.09845	0.6
308.07196	0.7
308.10608	0.6
309.07541	0.6
320.10526	0.9
321.11310	1.0
323.09253	3.4
324.09689	1.0
335.09317	1.1
336.10245	0.5
337.10883	1.0
338.11609	1.0
343.04715	0.8
350.11661	1.8
351.12393	1.5
357.26489	0.5
381.23325	0.7
399.23828	5.2
400.24149	0.8
411.07138	0.8
417.24982	3.2
459.26212	2.0
474.17603	0.5
477.23398	1.4
489.19296	2.5
501.18954	0.9
502.20993	0.5
504.17920	0.8
511.56915	0.5
519.20264	9.9
520.20581	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.3173
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47054	0.3
55.01722	0.6
55.20885	0.3
57.03320	1.9
59.01247	17.0
61.98661	1.2
69.03299	0.5
71.01250	7.7
71.04869	0.5
72.99142	0.8
73.02819	2.6
83.01212	1.2
83.04870	0.4
85.02818	4.5
87.00748	3.4
89.02316	3.2
95.01221	0.7
97.02789	0.9
97.06446	0.5
98.19813	0.5
99.00702	1.0
99.04287	0.3
101.01718	0.4
101.02316	5.0
113.02334	2.2
117.01772	0.6
117.97189	0.5
119.03419	1.5
123.08002	0.5
125.02283	0.8
125.09563	0.4
139.11197	1.4
143.03354	0.6
155.14262	0.6
161.04456	3.6
171.10100	0.4
179.05528	15.6
180.05844	0.6
191.01878	0.5
211.16942	0.3
227.16499	0.9
267.23270	0.6
269.21271	0.4
285.20776	1.2
293.21185	0.4
297.04144	0.6
298.04251	0.3
309.24429	1.4
311.05579	0.4
311.22217	4.3
312.22668	0.4
327.21890	0.6
327.25391	1.4
339.25342	3.9
357.26428	100.0
358.26752	12.3
417.24756	0.3
431.36026	0.3
459.29639	1.1
461.27640	0.5
501.30499	0.8
519.31775	37.8
520.32135	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	519.2445
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	5.0
57.03320	4.0
58.00466	2.1
59.01249	100.0
60.01585	1.0
65.51935	0.2
67.01755	0.6
68.99699	0.9
69.03320	3.3
70.55103	0.6
71.01250	76.9
71.04868	0.3
72.01594	1.2
72.99179	4.2
73.02815	30.2
75.00749	1.6
77.79308	0.2
81.03313	1.4
83.01254	23.4
84.01585	0.6
84.02048	0.9
85.02820	37.4
85.99961	0.4
86.03164	0.8
87.00746	11.4
87.04349	0.3
89.02312	12.6
90.02643	0.3
93.03350	0.5
95.00637	0.5
95.01258	11.0
97.02825	5.8
98.10692	0.3
99.00755	12.7
99.04364	0.8
101.02318	64.8
102.02650	1.5
107.04923	0.3
109.02863	0.3
110.87224	0.2
111.00763	2.7
111.04375	0.5
112.01577	0.9
113.02325	39.0
114.02669	1.1
114.73164	0.3
115.03897	1.1
119.03390	5.4
121.02845	0.5
123.00756	0.4
124.01574	0.6
125.02328	8.3
126.02710	0.3
127.03893	0.7
129.01820	1.3
131.03394	0.9
137.02328	0.8
139.00311	0.4
141.01836	1.0
142.02596	0.3
143.03398	12.4
144.03737	0.3
149.04448	1.0
151.03893	0.4
159.02896	4.8
161.04459	28.2
162.04800	1.1
167.03383	0.5
167.24207	0.2
179.03484	0.5
179.05510	1.8
203.05522	1.2
205.03445	1.2
221.06615	0.4
234.78006	0.2
275.58115	0.2
305.08807	0.4
315.18082	25.8
316.18448	2.5
323.09674	0.8
357.19165	7.9
358.19449	1.0
381.19107	3.4
382.19586	0.4
385.18912	0.4
411.20273	2.3
412.20563	0.5
427.19815	0.3
459.22284	13.4
460.22745	1.7
477.23367	78.3
478.23706	11.9
489.19064	0.8
493.58981	0.3
519.24438	15.6
520.24902	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	0.6
57.03313	0.8
58.00459	0.9
59.01245	19.3
60.01552	0.3
61.98712	0.5
69.03341	0.5
71.01248	12.0
71.04903	0.5
71.50388	0.4
72.01574	0.3
72.99172	1.1
73.02810	2.4
78.95756	0.3
80.53860	0.2
80.96378	0.3
83.01249	1.8
85.02342	0.5
85.02812	4.0
86.51945	0.2
87.00741	1.9
89.02311	4.6
95.01260	1.1
97.02833	0.3
97.06461	0.7
99.00749	0.8
101.02315	7.4
107.04893	0.4
107.16056	0.2
111.00777	0.4
113.02331	3.5
116.92740	0.5
119.03375	1.3
125.02326	0.3
131.03519	0.3
141.12752	0.5
141.45284	0.3
145.53539	0.3
161.04459	1.0
167.10732	0.6
169.12184	0.2
179.05478	0.5
179.14320	0.8
181.12347	0.3
185.11774	2.0
195.13840	3.1
196.14221	0.4
205.12242	2.6
208.18114	0.2
213.09142	0.8
223.13335	30.3
224.13626	2.0
241.18092	1.0
253.09229	5.5
265.17905	0.3
267.19846	0.3
285.20795	0.5
295.22421	0.3
297.24301	0.7
303.23291	0.2
309.24356	3.1
313.23889	0.3
321.24246	0.8
325.23755	0.6
327.25397	8.2
328.25537	0.6
339.25357	7.0
340.25800	0.6
355.24869	0.6
357.26434	22.7
358.26807	2.2
375.27292	0.3
399.27505	0.4
459.22339	2.9
459.29581	1.1
475.29349	1.8
476.29370	0.5
489.30716	2.3
490.31369	0.4
501.31183	1.2
519.31708	100.0
520.32043	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	519.2362
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15107	0.6
53.06205	0.7
58.18782	0.7
59.01251	4.9
61.98682	1.7
71.01261	3.6
71.50725	1.1
74.02421	0.7
77.08869	0.7
78.95776	36.3
86.85839	0.8
87.00750	3.7
96.96836	3.7
97.06458	1.0
109.06490	0.7
115.00249	6.9
117.42741	1.0
132.98166	0.6
148.08891	0.7
150.10402	1.2
150.97891	0.6
152.99487	49.0
163.11192	1.6
165.12761	32.3
166.13049	1.8
171.00514	4.2
174.01634	1.2
175.02391	18.0
175.11076	0.7
176.11935	1.2
177.78352	0.9
227.03232	5.8
240.86952	0.7
245.04291	2.9
247.20639	16.8
248.21024	1.1
264.24728	0.7
273.18613	9.0
274.18991	0.7
291.19659	100.0
292.19931	8.7
359.06186	0.8
427.19052	2.0
519.23645	93.0
520.23834	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	519.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42870	0.4
50.48645	0.4
53.17566	0.4
55.01757	5.2
57.03321	3.5
58.00470	1.7
59.01247	100.0
60.01582	1.4
68.99704	0.5
69.03324	3.0
69.22823	4.2
71.01250	63.7
72.01568	0.9
72.99172	3.2
73.02812	27.2
75.00753	0.9
81.03342	2.1
82.82014	0.5
83.01254	20.7
84.02045	0.7
85.02815	29.2
86.03145	0.5
87.00747	10.6
89.02312	13.9
90.31763	0.4
95.01256	9.2
97.02821	6.2
99.00757	9.9
99.04388	0.8
101.02316	60.0
102.02663	1.1
111.00761	1.9
113.02322	34.4
114.02676	0.6
115.03876	1.1
117.04826	0.4
119.03396	3.7
124.01477	0.7
125.02330	8.7
127.03865	0.7
129.01845	1.3
131.03384	0.8
133.19295	0.4
141.01802	1.0
143.03403	12.0
149.04472	0.5
159.02892	3.1
161.04449	28.4
162.04778	1.0
179.05585	2.1
190.51434	0.4
203.05548	1.1
205.03491	0.6
227.05569	0.5
288.72443	0.4
315.18076	23.7
316.18341	2.6
323.09662	0.6
357.19122	6.9
358.19629	0.8
381.19189	3.0
411.20309	2.4
427.20187	0.5
459.22287	12.0
460.22601	1.3
477.23364	75.7
478.23672	11.1
519.24414	15.7
519.32245	0.9
520.24963	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	519.187
Annotation	Pinoresinol O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
50.93241	0.4
55.59160	0.4
57.03331	0.4
58.00467	0.6
59.01249	13.3
71.01252	14.2
71.49943	0.9
72.99187	0.7
73.02820	1.1
83.01263	1.0
85.02821	3.5
85.28074	0.4
87.00753	0.9
89.02312	11.6
93.03282	0.5
95.01261	1.1
101.02315	6.2
105.66175	0.4
108.02047	2.7
113.02321	5.0
119.03370	4.3
121.02847	5.5
122.03633	2.9
123.00749	0.7
123.04404	1.8
131.03429	0.6
134.03616	0.9
136.01552	75.7
137.02226	2.8
143.03378	1.6
147.04352	0.6
149.05951	0.9
151.03909	95.5
152.04257	4.3
154.02628	0.8
159.04398	0.6
160.05200	1.9
161.02324	0.5
161.04413	2.3
162.03152	1.3
163.03891	1.3
175.03949	0.6
175.07570	1.1
177.05476	1.9
179.05542	2.9
187.03932	0.7
188.04697	0.9
188.07152	1.5
189.05515	0.5
199.28502	0.5
203.07088	1.7
294.08862	0.7
309.11368	1.3
311.12897	1.4
329.13950	0.6
339.12463	3.1
340.12634	0.6
342.11136	5.4
343.11417	0.7
357.13416	100.0
358.09485	0.9
358.13770	13.5
449.81494	0.5
519.16174	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.187
Annotation	Unknow
Peak:m/z	Relative Intensity
56.02412	2.6
57.69527	3.3
58.00445	7.0
58.02837	5.6
59.01248	100.0
61.98686	3.4
71.01251	60.7
71.50504	3.0
72.99170	5.3
73.02817	8.3
74.02338	13.1
78.95789	5.4
83.01247	3.2
83.19771	2.4
85.02813	14.7
86.02339	4.3
87.00751	7.5
89.02313	61.0
95.01271	3.8
96.96854	3.3
99.05546	8.3
101.02317	30.9
113.02321	20.5
119.03395	24.2
128.03421	23.0
129.03761	5.8
133.02841	8.4
137.02280	3.2
143.03427	3.0
143.04501	33.2
144.04912	6.3
155.10674	3.3
160.00653	8.5
161.02382	3.5
161.04428	6.7
169.94577	2.5
177.05449	3.8
179.05557	7.9
180.04901	4.0
195.13786	3.8
197.05719	2.5
210.08847	5.3
235.07573	4.5
237.14941	5.0
239.12927	12.1
247.13327	4.9
253.08792	3.7
254.07774	6.9
255.07880	4.0
255.15935	6.2
263.07169	8.2
265.14322	7.3
272.08893	8.3
273.09183	6.1
281.08215	12.3
283.15582	4.7
285.04031	6.5
291.06653	3.8
293.08191	3.5
294.08795	3.1
297.04083	25.9
298.04526	4.4
306.07648	36.2
307.07883	30.6
308.07205	7.0
308.10526	3.5
309.04279	2.3
309.07675	51.4
310.08026	6.0
311.05728	3.2
313.03760	3.7
313.07132	42.8
314.07513	3.5
321.74640	2.6
323.09149	7.7
324.09952	22.3
339.05362	16.7
339.08749	5.2
339.12314	50.0
340.05374	4.9
340.12854	5.1
357.06158	98.8
358.06396	11.0
519.10956	9.0
519.24567	17.8
519.31903	7.6
520.24805	6.1
520.32733	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	519.0892
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43187	0.6
59.00961	1.0
59.01250	17.3
60.01589	0.8
61.98691	1.6
63.96129	1.1
69.78407	3.2
71.01255	4.2
72.99176	1.6
73.02821	2.1
74.98926	0.6
83.01272	0.9
85.02824	2.7
87.00749	0.7
89.02313	3.7
95.01241	0.9
98.19859	0.9
101.02328	3.6
105.45628	0.7
109.02843	1.6
113.02316	2.4
117.97189	1.4
119.03382	1.3
119.04880	0.6
125.02353	0.9
133.02838	7.7
135.04364	1.2
135.98241	4.9
149.02376	1.0
161.02339	3.3
161.04482	0.8
163.00288	3.7
163.03961	1.5
165.01826	1.2
175.03918	1.0
189.01913	0.8
190.99817	0.8
199.03932	0.6
201.01854	1.1
202.88966	0.5
205.84505	0.6
207.02942	1.9
211.03951	0.6
212.04610	0.9
213.05382	0.6
225.05540	1.4
227.03479	0.7
253.05051	2.4
255.02911	1.7
269.04575	1.9
284.03223	1.9
285.04013	9.7
286.04544	0.9
297.04025	32.0
298.04639	5.5
299.05576	19.2
300.05991	1.5
301.03494	1.7
306.07486	0.8
313.03616	0.8
318.09430	0.7
325.03513	26.2
326.03729	3.3
327.05078	14.0
328.05331	1.4
339.25232	0.8
343.04559	100.0
344.04852	9.3
357.26501	3.7
411.07230	2.6
429.08240	20.3
429.14017	1.4
430.08548	2.2
518.30341	1.3
519.32141	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	519.1023
Annotation	Unknow
Peak:m/z	Relative Intensity
62.74530	0.9
69.75121	5.1
78.95765	0.8
96.95889	100.0
100.63492	0.9
141.09677	0.8
152.91623	1.3
176.98550	75.7
177.98801	2.2
239.49048	1.0
272.98883	0.9
468.92325	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1019
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16551	0.9
70.97279	2.3
76.84399	0.8
78.82143	0.9
79.95589	1.0
81.84422	0.7
82.28284	0.8
96.95883	100.0
154.72522	1.0
176.98547	68.1
177.98848	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	519.1463
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01237	0.7
61.98699	100.0
66.20549	0.3
69.74222	1.9
200.31259	0.4
213.84908	0.3
310.53354	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.172
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	1.2
59.01253	9.1
67.01761	0.5
71.01250	7.0
71.50651	0.7
72.99186	1.2
73.02820	2.8
75.00763	0.8
81.03361	0.5
81.34252	0.5
81.97552	0.5
83.01243	2.6
85.02821	5.0
87.00748	15.6
87.04404	1.3
89.02324	1.1
95.01239	0.7
98.19752	0.4
99.00786	0.7
101.02321	1.9
111.00768	2.9
113.02329	5.2
115.00256	40.4
116.00601	1.1
122.73647	0.5
125.02349	1.2
126.63697	0.5
131.71579	0.5
135.08026	1.3
136.03195	0.5
137.09628	9.6
139.00266	4.2
151.11215	0.6
152.03436	5.2
155.10686	100.0
156.11026	5.2
157.01337	4.7
161.04494	1.4
175.02397	4.2
179.05508	0.8
181.08585	1.6
193.12151	0.6
195.13837	1.4
199.09694	43.7
200.10094	2.9
211.13405	1.2
213.11176	0.5
221.11813	0.7
233.42503	0.5
239.12907	4.9
241.10806	5.0
253.09193	0.7
297.04120	0.6
298.04932	0.6
313.12881	2.3
339.04727	0.7
339.10910	2.4
343.13986	1.2
347.55524	0.6
357.06235	1.9
357.11768	1.4
361.15039	28.6
362.15323	4.2
459.13760	0.8
519.17126	70.8
520.10254	0.8
520.17371	9.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.0889
Annotation	Unknow
Peak:m/z	Relative Intensity
58.58594	0.4
59.00965	0.6
59.01250	11.6
60.01581	0.7
61.01657	0.4
61.98700	7.2
63.96111	4.0
69.32860	0.7
69.33262	3.3
71.01253	4.5
72.99176	3.7
73.02806	1.5
73.98177	0.9
74.02315	0.6
74.98972	1.0
77.03852	0.4
78.81242	0.4
78.95781	0.5
79.01773	0.6
83.01263	0.5
85.02812	1.7
86.04789	0.5
87.00713	1.3
88.98699	0.6
89.02303	2.4
99.00720	0.4
101.02332	2.8
102.98466	0.5
109.02829	2.3
113.02313	1.4
115.00289	0.5
116.92711	0.9
117.97190	2.9
119.03400	0.5
119.04879	0.8
121.02818	1.5
125.02321	0.5
127.04970	0.4
128.03401	0.5
133.02834	9.5
133.03825	0.5
134.03201	0.5
135.04437	0.9
135.98259	15.0
137.02313	0.5
143.04530	0.7
147.04388	0.6
149.02315	1.8
161.02347	3.9
161.04465	0.7
163.00264	4.7
163.03865	1.3
165.01836	2.4
171.12126	0.4
175.03874	2.0
177.01822	0.4
179.05562	0.8
187.03964	0.4
189.01884	0.7
190.99779	1.1
191.03418	0.5
193.01268	0.5
197.06018	0.7
198.03189	0.4
199.03961	1.4
201.01859	1.4
207.02905	1.4
211.03867	0.4
213.05363	0.8
225.05450	1.7
227.03450	1.4
227.07059	0.7
229.05034	0.6
231.06648	0.5
233.00746	0.5
237.05569	0.4
241.04977	1.1
243.02689	0.4
253.05009	2.4
255.02954	2.1
255.06667	0.5
256.03195	0.4
257.04501	0.5
265.08960	0.4
269.04614	2.3
270.90619	0.5
281.04587	0.7
284.03262	2.9
285.04010	9.5
286.04343	0.9
297.04019	37.4
297.24338	0.4
298.04645	7.0
299.05594	25.1
300.06052	2.0
306.07642	0.9
311.05615	0.6
313.03372	1.3
325.03500	30.1
326.03809	3.7
327.05063	31.7
328.05420	2.8
339.05093	0.4
343.04553	100.0
344.04874	8.9
356.24896	0.4
357.06094	0.4
357.26407	1.5
368.84204	0.4
411.07248	1.1
429.08218	52.1
430.08621	6.3
458.90585	0.4
518.31104	0.7
519.07544	0.5
519.22302	2.6
519.31757	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.2955
Annotation	Sampsonione B
Peak:m/z	Relative Intensity
58.04688	0.6
71.35565	1.4
81.28608	0.6
119.04916	1.7
121.02785	1.2
136.01491	0.9
145.01694	1.1
145.02846	21.1
145.06422	0.6
146.03168	1.4
154.58527	0.6
157.06494	1.0
163.00238	1.0
163.07564	0.9
173.06007	0.9
177.01906	0.7
185.05965	1.1
187.07530	1.1
189.01895	3.0
195.08092	0.9
199.03860	0.8
203.07002	0.9
204.29468	0.6
211.07527	0.7
212.04721	2.4
213.05461	0.8
217.04900	1.0
227.03358	0.8
228.04109	1.1
231.06569	5.4
238.06161	1.0
239.06973	1.9
240.04201	1.0
241.04990	12.6
242.05765	6.3
245.08153	1.3
253.05130	3.7
253.08765	0.8
255.06581	4.3
265.05026	2.6
265.12119	0.8
266.05780	2.0
266.62216	0.7
267.06592	19.3
268.06778	1.6
279.06683	0.9
281.11777	4.7
283.09341	0.7
295.09729	3.6
307.09467	0.7
309.11304	43.0
310.11700	6.5
321.11273	1.9
323.12820	2.4
327.12433	1.7
329.45270	0.7
349.27524	5.0
379.15497	1.0
380.16025	1.0
387.16205	1.0
393.17001	4.9
405.17017	26.0
406.17450	4.8
431.22238	1.2
433.20190	1.4
447.21848	1.4
448.22491	2.3
459.18335	5.7
517.29578	100.0
518.19653	3.3
518.29877	19.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3375
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01758	0.2
58.00459	0.2
59.01245	4.9
61.98687	0.4
71.01248	4.4
71.50953	0.2
72.99171	0.4
73.02811	0.9
83.01257	0.6
85.02814	0.9
87.00747	0.5
89.02314	3.0
91.03877	0.1
95.01265	0.4
96.95930	0.1
97.02788	0.2
99.00756	0.2
99.24018	0.1
101.02320	4.3
103.03928	0.1
113.02319	2.0
119.03397	0.9
121.02904	0.1
125.02296	0.2
131.03407	0.1
133.04924	0.3
140.01993	0.1
143.03391	0.4
161.04465	1.5
179.05559	0.5
235.08168	1.1
253.09253	14.0
254.09586	0.8
255.92130	0.1
281.24838	100.0
282.25186	11.8
293.75000	0.1
528.22522	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02850	6.6
59.01248	5.0
61.98699	5.0
66.03357	0.6
67.99708	0.5
70.02854	1.2
71.01245	1.9
71.05109	1.2
72.00768	1.2
74.02338	14.9
81.04452	0.7
81.50128	0.6
82.02852	1.8
83.01252	0.7
84.04406	0.8
86.02354	6.2
86.98984	1.5
87.05500	4.4
88.03925	0.6
88.98681	1.1
89.02318	0.8
90.00066	2.0
96.04425	0.9
97.03967	1.3
99.05521	13.4
101.02318	1.3
101.07071	1.9
102.05496	1.2
107.06059	0.7
109.03949	2.1
111.05529	1.2
112.03915	1.7
116.01685	1.5
119.03437	0.6
120.01161	0.6
123.05543	1.6
124.03945	1.3
125.03415	1.3
127.05004	2.5
128.03424	36.2
129.03726	0.9
131.04564	0.9
135.05542	5.0
141.06619	4.4
143.04521	51.9
144.04846	1.7
145.06085	2.0
146.04504	4.1
149.07091	0.9
153.06610	3.7
160.00647	15.1
161.00862	0.5
161.04427	0.6
166.09781	1.8
167.04546	3.8
167.08128	2.0
170.03302	0.8
171.03885	0.8
171.07686	0.9
177.03288	6.0
179.04506	9.5
180.04889	0.5
181.06096	1.6
184.10774	0.8
185.05583	1.5
192.07698	1.4
197.05579	2.4
199.95953	0.5
210.08768	9.6
213.03334	0.6
228.09808	0.9
231.04370	1.0
242.07722	1.0
254.07780	13.5
255.08226	0.8
272.05942	1.3
272.08871	24.7
273.09137	1.3
288.06625	9.3
306.07632	100.0
307.07947	6.9
351.27643	0.5
394.29117	0.5
468.43930	0.5
518.21393	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	517.2652
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57780	0.3
52.62993	0.3
52.83759	0.3
59.01249	100.0
60.01586	1.0
61.98701	1.5
67.37279	0.4
70.77084	1.1
71.01252	4.0
73.02827	1.4
85.02373	0.4
85.02810	1.8
87.00775	0.6
89.02329	1.1
101.02320	2.2
103.21970	0.4
113.02322	1.8
119.03419	0.6
119.95940	0.4
121.02879	0.9
130.08655	0.9
130.73759	0.4
161.04501	1.0
215.76801	0.4
259.04291	0.3
281.17645	1.3
313.07510	0.4
355.24976	1.0
398.22467	0.4
415.23282	0.6
517.30292	7.4
518.30743	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.1454
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10682	5.2
58.02845	21.3
61.74051	4.2
69.24734	21.7
69.25158	26.5
70.02855	4.8
72.58044	4.6
72.62138	4.2
97.60076	5.3
107.04919	10.5
118.06510	5.8
119.04898	13.6
120.76231	4.4
138.68254	4.8
147.04396	16.2
148.09601	5.2
163.03917	12.9
164.07047	31.9
164.39218	5.3
171.03041	5.1
178.08662	10.2
180.06549	43.8
188.23332	5.3
206.08153	63.8
222.07655	100.0
222.09805	5.9
223.07925	6.2
364.91357	5.7
407.14612	5.6
428.01791	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	517.2651
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01749	0.3
55.66491	0.3
57.03303	0.4
57.20940	0.3
59.01248	100.0
60.01596	0.8
61.98696	1.1
64.18198	0.3
70.83868	0.8
71.01251	5.0
71.04864	0.3
72.17455	0.3
72.99170	0.5
73.02812	1.8
74.02397	0.3
75.00754	0.4
83.01266	0.6
84.67364	0.3
85.02833	1.8
87.00774	0.6
88.98698	0.4
89.02305	2.4
95.79089	0.3
96.95898	0.4
99.00721	0.4
100.95756	0.3
101.02318	3.3
111.00793	0.4
113.02312	2.1
115.00282	0.7
119.03389	0.8
125.09621	0.4
128.03488	0.5
143.03476	0.5
143.04500	0.6
161.04462	0.9
175.02344	0.5
179.05544	0.4
203.36661	0.3
216.00082	0.3
251.07086	0.3
306.07681	0.6
311.22342	0.3
313.23828	0.4
321.69806	0.3
327.21863	0.5
337.23889	0.9
355.24875	2.7
373.25821	0.5
409.05774	0.5
415.23560	0.5
427.06601	0.5
473.23639	0.4
475.29016	0.5
495.21539	0.3
499.21362	0.3
517.30255	14.3
518.23407	0.4
518.30225	1.9
540.62128	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.1409
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04942	2.9
57.03321	7.9
59.01244	15.4
69.20727	2.7
69.67498	11.4
69.67908	7.8
71.01251	25.2
72.99182	3.6
75.00747	7.4
75.74535	2.9
83.01254	4.5
85.02821	57.5
87.00753	29.5
88.03929	10.1
96.95912	6.9
99.00761	4.3
101.02312	3.7
111.00761	4.5
113.02275	3.2
115.00261	46.9
116.14583	3.1
119.04886	4.1
129.01805	8.0
130.04993	9.5
131.05295	3.3
147.02893	9.5
163.03929	3.9
165.04085	8.0
175.02406	100.0
175.03931	6.5
191.01924	24.2
213.05334	3.1
215.03458	5.7
233.57834	3.1
361.29736	3.1
481.19016	3.6
517.12341	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	517.0986
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03317	3.9
59.01249	100.0
61.98686	9.5
69.35371	5.6
69.35778	22.0
71.01252	33.7
72.99159	5.8
73.02800	9.0
75.00729	3.4
78.95747	3.8
83.01247	5.5
85.02827	24.4
87.00771	6.6
89.02293	20.8
96.96798	4.9
99.00764	4.9
99.04382	5.1
101.02319	22.8
102.05478	10.6
103.00231	10.2
109.02786	4.3
111.00759	4.4
111.23173	3.1
113.02319	14.2
115.00196	3.3
117.03335	8.3
119.03397	10.8
119.04905	3.1
124.08088	3.2
128.03432	17.6
131.01251	5.3
133.02873	3.1
135.04387	4.4
143.04518	6.0
146.04472	10.4
147.02930	5.9
147.04391	4.3
149.09683	3.3
163.06064	4.2
166.43590	3.5
175.00252	11.2
177.00896	4.9
179.05527	5.3
191.01875	7.7
191.03395	5.4
209.02878	4.2
225.11151	3.7
241.95490	3.3
246.87566	3.3
269.04562	4.8
283.06168	5.7
293.01416	6.6
293.04550	89.8
294.04764	10.3
298.04660	4.6
299.05600	6.2
306.07602	7.6
311.05511	15.7
323.05627	6.4
327.05478	5.0
341.06552	4.4
353.06622	10.0
355.04483	5.5
371.09717	7.7
383.07907	6.5
397.09305	5.1
413.08701	25.1
427.10437	7.0
431.09818	14.6
443.09628	10.8
473.10788	7.3
517.12866	15.1
517.30591	6.5
518.22156	16.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.0988
Annotation	Unknow
Peak:m/z	Relative Intensity
53.45834	1.6
53.52016	1.8
58.02851	8.2
59.01252	42.3
67.13640	1.6
69.54408	9.5
71.01265	9.2
74.02354	12.0
82.02862	1.6
85.02831	3.6
86.02353	6.0
87.05502	2.6
89.02296	8.3
98.20589	2.0
99.05521	13.0
101.02340	5.5
102.05514	2.2
103.00255	6.8
109.02898	1.6
109.03960	2.6
112.03942	2.1
113.02330	3.4
116.01673	1.8
119.03419	4.1
128.03435	30.1
131.01289	3.0
133.02843	17.3
135.05530	4.1
141.06583	4.5
143.03397	3.0
143.04521	47.3
145.06171	1.6
146.04510	3.7
149.07285	1.5
153.06628	2.2
160.00662	10.2
165.01813	2.3
166.09689	1.9
167.04576	3.2
167.08150	2.3
170.03185	1.7
173.02379	3.2
175.00249	10.5
177.03217	2.8
179.04401	7.6
190.04941	2.1
197.05589	2.1
210.08810	10.0
237.05495	2.2
254.07822	16.0
265.05042	4.2
267.02826	2.8
272.08887	24.3
288.06546	6.9
297.04031	5.6
298.04999	1.9
298.16501	1.7
299.05505	12.6
306.07657	98.6
309.04041	100.0
310.04346	9.3
311.05640	7.3
327.05087	20.8
328.05466	1.7
339.05029	4.0
352.53876	1.8
357.06030	7.1
413.08762	79.2
414.09033	10.1
431.09799	24.5
432.10190	2.4
516.28369	2.6
517.09851	3.4
517.30157	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.0986
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03317	3.9
59.01249	100.0
61.98686	9.5
69.35371	5.6
69.35778	22.0
71.01252	33.7
72.99159	5.8
73.02800	9.0
75.00729	3.4
78.95747	3.8
83.01247	5.5
85.02827	24.4
87.00771	6.6
89.02293	20.8
96.96798	4.9
99.00764	4.9
99.04382	5.1
101.02319	22.8
102.05478	10.6
103.00231	10.2
109.02786	4.3
111.00759	4.4
111.23173	3.1
113.02319	14.2
115.00196	3.3
117.03335	8.3
119.03397	10.8
119.04905	3.1
124.08088	3.2
128.03432	17.6
131.01251	5.3
133.02873	3.1
135.04387	4.4
143.04518	6.0
146.04472	10.4
147.02930	5.9
147.04391	4.3
149.09683	3.3
163.06064	4.2
166.43590	3.5
175.00252	11.2
177.00896	4.9
179.05527	5.3
191.01875	7.7
191.03395	5.4
209.02878	4.2
225.11151	3.7
241.95490	3.3
246.87566	3.3
269.04562	4.8
283.06168	5.7
293.01416	6.6
293.04550	89.8
294.04764	10.3
298.04660	4.6
299.05600	6.2
306.07602	7.6
311.05511	15.7
323.05627	6.4
327.05478	5.0
341.06552	4.4
353.06622	10.0
355.04483	5.5
371.09717	7.7
383.07907	6.5
397.09305	5.1
413.08701	25.1
427.10437	7.0
431.09818	14.6
443.09628	10.8
473.10788	7.3
517.12866	15.1
517.30591	6.5
518.22156	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	515.3219
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06288	0.1
55.01762	0.3
57.03336	0.1
58.00477	0.2
59.01247	4.9
71.01250	4.4
71.14832	0.1
71.15173	0.1
72.52288	0.1
72.99178	0.2
73.02817	1.1
78.95780	0.4
83.01247	0.5
85.02823	1.1
87.00751	0.6
89.02312	3.2
89.02849	0.2
91.03896	0.2
95.01260	0.3
97.02839	0.2
99.00761	0.3
101.02321	4.2
102.02688	0.1
113.02321	1.8
115.03903	0.1
119.03380	0.9
133.04953	0.3
143.03401	0.4
152.99500	0.8
153.87675	0.1
157.36169	0.1
161.04462	1.6
179.05563	0.5
235.08199	1.0
248.36348	0.1
253.09251	14.2
254.09537	0.7
254.52026	0.1
261.22250	0.3
279.23267	100.0
280.23611	10.9
433.23615	0.2
502.46411	0.1
511.55142	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	516.172
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23778	0.3
59.01246	0.7
61.98710	1.5
71.01257	0.7
71.51505	0.3
72.99179	1.8
75.00745	100.0
76.01079	0.9
85.02828	0.3
89.02311	0.3
101.02319	0.5
117.80891	0.3
125.02338	0.3
141.48665	0.3
150.03175	0.4
163.06081	0.5
165.05528	0.4
264.74216	0.3
265.46573	0.3
307.10464	0.6
327.09720	0.3
380.80222	0.3
472.08649	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.2858
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	39.8
61.98699	10.8
62.58422	1.1
69.35010	3.4
69.35413	10.7
71.01248	2.0
75.99926	1.3
111.00786	2.5
121.10126	13.8
156.52583	1.4
171.08774	2.2
171.10175	30.4
176.22145	1.5
179.05533	3.5
185.11757	2.3
231.21115	3.7
272.06644	1.2
275.20142	48.5
276.20450	6.6
293.21216	100.0
294.21552	10.0
458.47818	1.2
463.87543	1.4
515.27783	2.4
515.34149	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3222
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01744	0.3
58.00459	0.4
59.01247	4.7
61.98713	0.3
71.01257	4.2
72.99169	0.3
73.02808	0.8
75.00764	0.3
76.40012	0.2
78.95789	0.5
79.67049	0.2
83.01246	0.7
84.43938	0.3
85.02810	1.0
85.03319	0.3
87.00739	0.6
89.02311	2.8
98.19880	0.3
101.02316	3.7
113.02316	1.6
119.03367	0.8
133.04948	0.6
144.25430	0.3
152.99503	1.3
161.04456	1.9
179.05482	0.5
235.08183	0.9
253.09251	13.5
254.09599	0.7
261.22101	0.3
279.23279	100.0
280.23633	11.3
289.34042	0.4
529.10059	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.2267
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42077	2.7
55.01773	3.4
56.95047	2.2
57.03335	4.2
59.01254	100.0
61.98705	38.6
69.29440	15.3
69.29842	6.0
71.01252	31.7
72.01997	2.3
72.99179	3.8
73.02818	8.7
76.48205	2.4
78.95792	3.7
83.01261	2.9
83.04914	3.4
85.02829	11.2
87.00764	3.3
89.02308	15.2
95.01269	2.9
96.95893	2.6
97.02820	3.0
99.00755	4.0
99.04382	3.2
101.02336	20.9
113.02355	16.0
119.03396	5.8
125.02355	2.6
137.09555	2.4
139.07515	3.9
143.04547	3.1
161.04425	4.2
175.02452	4.4
200.87668	2.3
207.08221	3.2
209.29114	2.4
211.13403	3.0
215.45406	2.3
236.16678	3.2
242.91003	2.7
253.09294	3.4
279.06750	5.6
279.16068	6.0
291.06339	3.2
307.05988	2.8
335.05646	16.1
353.02765	4.5
353.23303	9.5
365.06723	7.1
395.07611	6.3
425.09015	3.0
430.94400	2.7
515.12531	27.6
515.20801	4.7
515.28491	72.5
516.11914	5.2
516.23676	4.2
516.29602	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	515.0834
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	2.8
61.98690	1.5
65.99812	0.5
69.70709	0.5
71.01254	2.5
71.04124	1.0
80.96403	0.5
84.66497	0.5
85.02822	1.1
87.00743	0.9
89.02312	0.7
101.02299	0.7
108.02019	0.4
109.02810	3.2
113.02327	0.6
131.04938	0.5
133.02852	11.5
134.03543	0.4
135.04382	0.9
136.01523	0.8
145.02863	0.5
149.02403	0.5
153.09085	0.7
155.10678	0.5
159.04405	0.6
161.02364	1.3
173.02380	1.5
174.03136	0.8
175.02611	0.7
175.03908	2.9
177.01852	3.5
187.03966	0.6
188.00864	0.4
189.01834	1.8
199.03914	0.8
201.01894	2.6
202.02638	1.2
203.03464	2.4
204.00584	1.6
205.01401	2.4
211.07599	0.6
215.03365	0.9
217.01353	1.6
221.05984	0.8
229.01436	0.8
230.02072	0.5
231.02872	0.7
233.00812	0.7
237.05478	1.2
238.06306	0.8
239.03362	0.5
239.07085	0.7
239.82101	0.4
240.04160	0.9
241.05008	0.6
249.05695	0.6
251.03526	0.6
251.07062	0.8
252.04254	0.6
253.05069	0.9
255.06601	1.1
258.01602	0.7
259.02441	0.8
261.05713	0.5
264.04163	0.7
265.05048	1.7
266.05875	0.9
267.06635	1.8
269.04446	0.5
277.04932	0.6
278.05673	0.6
279.03049	0.7
280.03647	1.1
281.04523	0.9
282.05212	1.3
283.06161	2.2
289.05054	0.5
291.06686	0.5
293.04510	2.9
295.02533	0.5
295.05997	1.0
296.03247	0.5
297.03967	0.9
309.04126	2.1
310.04819	1.9
311.05536	5.6
312.06067	0.7
313.06918	0.5
320.03415	0.5
321.04013	1.0
323.05453	3.1
324.02542	0.9
325.07190	1.9
335.05688	1.3
337.03500	2.1
337.07166	0.9
338.04321	5.6
339.05090	14.3
340.05423	1.4
349.03137	0.7
350.04211	0.9
351.05017	4.5
352.05579	0.6
353.06830	3.0
365.06760	0.9
366.03882	1.5
367.04559	19.7
368.05002	2.2
369.06082	1.5
379.04550	7.6
380.04965	0.8
397.05698	5.9
434.11694	0.5
448.06625	0.5
487.08829	39.5
488.09253	6.1
515.08301	100.0
516.08691	13.4
516.16602	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.0828
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	5.5
61.98670	1.2
63.26777	0.3
69.73473	1.7
71.01250	2.3
73.02799	0.8
80.18334	0.3
84.65070	0.3
85.02809	1.0
89.02302	1.0
101.02296	1.1
113.02354	0.7
119.03453	0.4
121.02798	0.3
133.02815	4.3
135.04376	0.4
135.77817	0.3
160.01526	0.3
161.02336	2.1
161.04416	0.5
161.99451	0.5
163.00256	3.2
164.00470	0.4
188.00999	0.7
189.01801	0.9
189.98984	1.5
190.99706	1.4
201.01834	0.5
211.03865	0.9
213.05461	0.4
216.00557	1.4
217.01465	0.4
218.99292	0.3
224.04672	0.9
225.05464	1.1
227.03340	0.8
235.03822	0.6
240.04112	0.7
241.05017	0.9
251.03366	0.9
252.04257	0.7
253.05031	2.4
255.02966	1.7
266.02283	0.4
268.03745	0.9
269.04510	2.1
279.02982	1.6
279.16006	0.5
280.03769	0.5
281.04883	0.3
295.02466	0.6
296.03119	0.7
297.04025	24.4
298.04443	2.5
308.02997	0.3
323.02042	0.6
324.02731	9.7
325.03494	51.0
326.03918	4.2
352.02048	1.7
353.02994	100.0
354.03336	10.2
515.08167	5.9
515.28314	2.5
516.08527	0.5
543.88739	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.3244
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	0.6
61.98700	100.0
62.98390	0.2
69.36279	1.3
98.19849	0.3
98.20494	0.3
102.03204	0.2
164.19524	0.1
180.28314	0.1
234.26366	0.1
394.27762	0.2
454.33798	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.0826
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33015	0.1
55.08573	0.1
57.03317	0.3
59.01247	6.6
61.98699	1.9
70.37550	0.1
70.52398	0.5
71.01246	2.5
72.99177	0.3
73.02814	1.0
79.95630	0.2
80.96405	0.3
82.95980	0.2
83.01265	0.6
85.02811	1.2
87.00739	0.4
87.04375	0.4
89.02309	1.1
89.94907	0.2
91.01755	0.3
94.97961	0.2
95.01305	0.2
96.95885	0.3
97.02887	0.1
98.15718	0.2
99.00779	0.3
101.02301	1.3
101.05952	0.2
109.02824	0.4
111.00761	0.4
112.35487	0.1
113.02352	0.9
115.00266	0.2
116.92724	0.4
117.03371	0.3
119.01247	0.2
119.03389	0.6
121.02838	0.2
129.01875	0.3
133.02818	5.5
133.03809	0.3
135.00795	0.3
135.04405	0.2
137.02304	0.3
143.03397	0.2
145.02849	0.2
147.00734	0.2
160.01614	0.4
161.02336	2.6
161.04474	0.6
161.99420	0.3
163.00266	4.4
166.44742	0.2
172.01459	0.3
175.02432	0.2
175.03799	0.2
179.05563	0.2
180.05659	0.2
183.04459	0.3
187.00272	0.4
188.01054	1.4
189.01859	0.9
189.98996	2.1
190.99763	1.9
195.04427	0.2
196.05142	0.2
197.06003	0.3
199.03970	0.4
201.01837	0.5
202.99725	0.2
205.03514	0.2
207.04460	0.2
209.06024	0.4
211.03957	0.7
212.04691	0.3
213.05388	0.2
214.99817	0.3
216.00584	2.5
217.01288	0.4
218.99274	0.6
223.04268	0.6
224.04677	0.8
225.00656	0.2
225.05450	1.7
226.02603	0.3
227.03452	1.0
229.04953	0.4
235.03874	0.9
236.04713	0.4
239.03410	0.3
240.04305	0.6
241.04950	1.1
251.03453	1.1
252.04185	0.8
253.05034	2.3
255.02914	1.9
263.03458	0.4
264.04138	0.2
266.02121	0.6
267.03036	0.4
268.03766	0.9
269.04556	2.7
270.04932	0.2
279.02939	1.8
279.15900	0.3
280.03702	0.6
281.04578	0.5
283.02469	0.3
287.63342	0.2
295.02438	0.6
296.03326	0.9
297.04019	27.0
298.04361	2.2
307.02457	0.2
323.02039	0.4
324.02728	10.7
325.03494	49.6
326.03876	4.9
335.22406	0.2
352.02158	1.5
353.02988	100.0
354.03320	10.5
514.20905	0.7
514.27545	0.3
515.08160	5.0
515.20532	0.8
515.28467	3.2
516.08575	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.0833
Annotation	Unknow
Peak:m/z	Relative Intensity
54.10185	0.6
57.03324	1.0
59.01250	21.3
60.73722	0.5
61.98681	1.6
63.75911	0.5
69.45094	4.7
69.46405	0.6
71.01254	6.6
72.99188	0.9
73.02806	1.2
75.00739	0.6
75.76524	0.5
82.49138	0.6
83.01247	1.3
85.02811	1.8
87.00760	1.0
89.02322	4.8
97.06479	0.6
98.20516	1.3
100.11033	0.6
101.02301	2.1
110.02359	0.7
113.02325	1.9
119.03424	1.5
127.05100	0.6
128.03398	1.4
133.02873	3.3
134.03622	0.9
135.04420	1.1
143.04494	1.4
161.02348	1.2
161.04448	1.1
161.99434	0.9
163.00285	3.6
173.04427	0.8
176.07068	0.9
177.00752	0.7
179.03395	0.9
179.05602	0.8
188.01047	1.8
189.99014	6.8
190.99692	2.0
208.05130	0.7
211.03917	1.3
216.00705	0.9
224.04797	3.4
225.05310	1.0
227.03491	0.8
235.04036	1.2
239.03377	1.3
240.04199	1.8
251.03505	2.5
252.04295	3.3
253.05109	1.4
255.02864	0.7
267.02875	0.9
268.03854	3.3
269.04410	1.5
279.02969	2.2
280.03653	1.8
281.04132	0.6
281.67105	0.6
295.02457	0.7
296.03271	1.9
297.04010	11.4
306.07623	2.4
318.82742	0.6
323.01996	1.5
324.02734	56.8
325.03473	30.0
326.03833	2.1
352.02264	13.5
353.03000	17.7
353.07483	1.2
353.08893	0.9
354.03473	1.5
359.16852	0.7
424.16208	1.4
515.08264	100.0
515.27985	3.0
516.08704	14.0
529.06531	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3067
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14932	0.1
55.01741	0.3
58.00454	0.2
59.01248	6.6
64.68117	0.1
70.26707	0.4
71.01253	4.8
72.89510	0.1
72.99152	0.2
73.02819	0.8
78.95754	0.2
80.74948	0.1
83.01266	0.6
83.04880	0.1
85.02820	1.2
87.00770	0.5
89.01761	0.2
89.02312	3.6
91.03863	0.2
95.01285	0.5
97.02805	0.2
99.00741	0.3
99.04378	0.1
101.02320	4.5
101.51839	0.1
102.02661	0.1
103.03885	0.2
113.02328	2.2
119.03407	1.0
125.02343	0.2
127.07542	0.3
131.03438	0.1
133.04965	0.4
142.05664	0.1
143.03404	0.4
152.99503	0.3
157.04968	0.2
161.04465	1.6
172.27873	0.1
179.05513	0.3
233.22687	0.4
235.08192	1.1
253.09250	16.1
254.09621	0.9
259.20703	0.4
275.20139	0.3
277.21704	100.0
278.22049	11.0
305.48834	0.1
318.00018	0.1
484.51999	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3067
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01738	0.3
57.03312	0.2
58.00470	0.3
59.01252	5.8
61.10154	0.1
62.56635	0.1
70.68269	0.1
70.68620	0.4
71.01254	5.2
72.99165	0.4
73.02824	0.8
78.95779	2.7
83.01255	0.7
83.04865	0.2
85.02812	1.2
87.00742	0.8
89.02318	3.8
91.03870	0.4
95.01223	0.3
96.96822	0.2
97.02838	0.3
99.00770	0.2
101.02324	4.9
102.02673	0.1
103.03858	0.2
108.94004	0.1
113.02338	2.7
115.03903	0.2
119.03397	1.0
119.68597	0.1
125.02291	0.2
131.03371	0.3
133.04948	0.3
143.03395	0.5
152.98335	0.2
152.99498	3.5
158.92386	0.1
161.04485	1.5
171.00542	0.2
179.05548	0.6
233.22816	0.3
235.08194	0.9
253.09259	17.2
254.09625	1.0
255.76814	0.1
259.20706	0.4
265.63821	0.1
275.20129	0.4
277.21716	100.0
278.22058	11.3
304.78036	0.1
390.35220	0.1
431.21875	0.8
538.80347	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.2704
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	37.7
61.98686	1.3
68.03691	0.6
71.01238	2.5
71.50192	1.1
72.99161	1.3
73.02826	1.2
78.95734	0.8
85.02835	1.0
87.00753	1.0
115.00295	0.7
128.03426	1.3
148.08800	0.9
161.04446	1.5
163.11197	0.9
165.12755	10.9
166.13094	0.9
171.10138	3.6
173.00931	0.7
174.01613	4.0
175.02159	2.0
197.11845	1.1
205.02924	0.9
209.11723	0.9
211.13287	2.4
233.11577	0.8
247.20636	6.2
249.15051	0.7
273.18573	4.4
291.19638	100.0
292.19922	10.2
341.16321	0.6
446.36203	0.7
513.26825	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	513.2008
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00474	0.4
59.00960	0.6
59.01248	11.5
61.98686	1.3
63.96095	1.4
69.03313	0.7
69.20676	0.7
69.21078	2.9
71.01253	12.8
72.99169	0.9
73.02807	2.6
73.92487	0.3
74.02333	0.5
75.00754	0.5
75.72192	0.3
78.98454	5.3
79.36456	0.3
79.95602	7.4
79.96045	0.7
80.96385	55.1
81.03307	0.8
83.01257	0.9
85.02808	3.7
87.00737	3.1
89.02311	2.3
89.05933	0.5
94.97954	12.1
95.01266	0.6
96.95879	2.3
97.01054	0.4
97.02823	1.9
98.01838	1.6
98.20652	0.4
99.00713	0.4
99.04398	0.6
99.05589	0.4
101.02303	4.3
106.97964	3.1
109.02821	0.9
109.06484	0.5
113.02333	1.5
119.03399	0.9
120.01168	0.4
121.02834	0.9
122.97453	2.9
125.02333	1.6
126.98432	0.4
127.03873	0.7
128.03448	0.6
130.47459	0.3
134.97482	3.9
135.08047	1.0
136.99020	1.4
143.03432	0.5
143.04518	0.9
146.97481	0.4
148.99034	5.3
149.99478	0.4
152.98518	5.3
161.04507	0.7
163.11163	0.3
164.98535	10.7
165.01776	0.5
166.99998	0.5
172.01802	0.4
176.07056	0.7
177.00946	0.4
178.54924	0.3
183.13808	0.5
187.09698	0.4
188.98560	0.5
192.16360	0.3
194.05173	0.3
195.13799	0.7
206.99658	2.6
210.08708	0.4
213.14931	2.5
214.15141	0.3
217.10712	0.5
225.00684	14.6
226.00833	0.5
245.06296	0.7
254.07668	0.7
259.15515	1.2
263.07455	9.5
264.07690	0.5
291.08817	0.8
299.04318	2.7
300.04956	0.4
330.36499	0.4
332.56702	0.4
338.12521	0.4
351.21521	0.5
381.11935	0.6
384.61285	0.4
409.15417	0.5
425.12607	2.0
495.18704	0.5
513.20081	100.0
514.20380	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	512.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77424	0.5
57.57919	0.4
61.98700	100.0
69.84998	1.9
69.85417	0.9
71.21648	0.4
95.58334	0.5
98.19927	0.6
108.83682	0.5
145.02840	0.5
211.13243	0.5
240.35367	0.5
251.62624	0.6
317.21274	0.6
327.20004	1.0
331.19080	0.7
332.12894	0.9
333.20789	1.2
345.20712	6.0
346.21216	0.8
361.20145	1.2
369.20804	1.0
371.18674	8.5
372.19257	1.1
386.00351	0.5
387.21817	1.2
389.19794	2.0
401.19846	2.0
405.22546	0.6
413.19806	3.4
431.20737	6.6
432.20972	1.1
449.21719	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	512.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01271	0.4
61.98700	100.0
70.79160	0.7
74.04626	0.3
75.87523	0.3
81.04264	0.2
82.86649	0.3
107.69606	0.3
159.04463	0.3
163.84091	0.4
211.13554	0.3
218.39485	0.3
276.20663	0.3
332.12796	0.4
333.21100	0.3
345.20731	1.0
371.18546	1.4
389.19977	0.6
401.19684	0.5
413.19730	0.7
431.20752	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.3426
Annotation	11-OXOURSOLIC ACID ACETATE
Peak:m/z	Relative Intensity
50.15609	0.5
53.24942	0.5
59.01260	3.4
59.48133	0.5
70.11152	1.9
70.96405	0.6
77.89868	0.5
83.00797	0.5
85.88268	0.6
98.14117	0.5
104.39512	0.5
202.16489	0.5
297.43921	0.6
316.31433	0.6
325.25424	1.1
511.34271	100.0
512.34570	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	511.182
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	2.5
59.01252	100.0
60.01598	1.1
61.98701	3.1
63.02262	0.6
71.01252	7.8
71.50433	0.6
72.99187	1.0
73.02838	2.0
74.99007	0.6
75.00756	1.5
81.03326	10.7
83.01285	2.2
84.16279	0.7
85.02831	2.9
87.00741	1.7
89.02332	2.5
89.03845	0.9
95.01308	0.9
99.00743	0.9
101.02331	4.6
111.00778	0.6
113.02348	2.0
119.03408	1.5
124.01553	13.1
125.02364	6.0
139.03906	21.6
140.04274	0.7
149.05986	16.9
150.03125	3.9
150.06296	0.9
161.04480	5.9
163.07608	1.0
165.05475	13.0
166.05801	0.9
179.52615	0.6
196.75536	0.6
221.36926	0.6
245.11662	0.7
271.09769	8.0
289.10815	52.6
290.11124	5.2
311.11539	1.1
328.05557	0.9
349.26160	1.8
382.89484	0.6
384.23593	0.6
448.09732	1.2
451.25589	2.7
511.24615	1.0
511.31464	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.1855
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33203	0.3
57.03322	0.8
59.01251	11.9
61.98700	2.5
63.96108	0.9
69.03311	0.5
71.01256	10.8
71.50481	0.4
72.99179	1.2
73.02815	2.9
74.02385	0.3
78.98465	5.8
79.95603	10.6
80.96390	62.6
81.03344	1.0
83.01260	1.0
83.04939	0.4
85.02815	4.5
87.00751	3.3
89.02311	1.4
94.97964	14.7
95.01256	0.7
96.95888	3.0
97.02839	1.6
99.00771	0.9
99.04439	0.4
99.05487	0.3
101.02318	4.4
106.97971	3.3
113.02322	1.5
118.52960	0.3
119.03433	0.4
120.99545	0.7
122.97489	2.9
125.02347	2.4
127.03889	0.9
128.63574	0.4
134.05998	0.4
134.97479	5.1
136.99028	1.2
143.03432	0.4
148.99039	5.4
149.33162	0.3
150.06775	1.5
151.07573	0.3
152.98535	6.1
153.09151	0.5
154.27167	0.4
159.02954	0.3
161.04532	0.7
164.08170	0.4
164.58188	0.4
164.98549	11.0
179.10666	0.7
183.13832	0.4
188.98582	0.4
206.99602	2.8
209.24811	0.4
211.13388	3.9
212.13615	0.5
225.00696	14.1
226.00954	0.5
271.17062	0.8
289.18073	0.5
299.04401	2.9
418.17722	0.4
433.22528	0.4
435.17471	1.1
451.22858	1.0
479.16910	1.6
511.18555	100.0
512.11072	0.8
512.18860	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	510.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91756	0.4
59.01253	6.3
61.98702	100.0
71.01254	1.5
71.50109	0.8
83.04896	0.5
87.00763	0.6
89.02331	0.9
96.33635	0.5
101.02340	0.8
111.77030	0.5
113.02348	0.8
113.94842	0.4
122.06045	0.9
149.05902	0.5
175.83769	0.4
210.05640	0.4
211.13400	0.8
212.13742	0.7
213.03049	0.4
253.06204	1.5
253.09361	0.5
254.06885	1.2
255.11427	1.1
274.13324	0.5
281.05792	1.3
282.06506	1.1
282.10187	0.5
283.10922	4.3
296.08014	0.7
311.10449	3.9
312.10699	0.6
314.73700	0.4
327.05099	0.5
327.09940	0.8
336.09973	0.8
341.11456	1.6
342.12213	4.1
343.12912	0.8
347.10330	0.9
361.11426	0.5
362.12097	0.9
365.73972	0.5
376.13196	1.1
377.13892	1.1
390.15036	0.6
391.16614	1.3
392.16644	0.9
398.19748	0.5
404.12268	1.1
405.13266	7.0
406.13684	1.4
406.18283	0.9
418.14380	0.7
419.14786	3.2
419.19897	0.5
420.15445	0.7
424.56934	0.4
432.15765	0.9
434.17184	27.1
435.17529	4.7
447.09430	0.5
460.15466	2.4
461.15585	0.6
478.16162	22.1
479.16440	3.7
510.18695	6.1
510.25211	0.7
510.35626	0.7
511.18430	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.1276
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28404	0.7
54.66313	0.7
57.82956	0.7
58.99466	1.5
59.01249	17.3
61.91997	0.8
61.98693	6.2
70.65537	2.1
71.01257	6.3
72.99175	1.1
73.02800	1.4
75.00728	1.4
80.96375	1.8
81.03327	1.5
83.04887	1.5
85.02820	2.1
87.00754	7.1
89.02314	2.4
99.00765	1.4
101.02319	2.9
102.59949	0.9
102.98453	4.2
111.00746	1.0
111.04428	0.9
113.02298	1.5
115.00250	1.2
125.02324	1.3
128.03320	0.8
133.02786	0.9
146.01842	2.1
147.02634	8.0
151.00320	1.3
153.01782	1.0
154.08374	0.7
156.00519	1.8
159.02649	5.0
161.00516	1.1
161.04224	9.8
167.03365	1.5
172.03455	7.6
173.04121	1.3
175.02327	2.2
183.02603	1.6
185.04239	4.6
186.04942	2.4
187.02144	1.2
187.05783	26.0
188.06198	2.3
197.04265	1.3
199.05782	19.7
200.06161	1.6
204.02419	1.7
205.01329	1.1
217.06860	100.0
218.07159	8.5
222.00496	0.7
225.16089	1.4
249.06120	6.3
284.03259	3.5
285.03836	10.8
286.04379	9.9
287.04544	1.2
287.07642	1.2
297.03894	1.3
298.04782	1.3
299.05460	0.9
327.05154	2.9
341.06702	1.8
349.25821	1.3
357.05972	2.1
358.06348	0.9
379.12253	2.5
431.09650	3.9
433.31897	0.8
448.03995	0.6
448.09610	15.6
448.22415	1.0
449.09930	2.2
451.32825	25.9
461.10971	2.1
467.13739	9.8
511.12079	3.0
511.18515	2.3
511.24667	1.4
511.31104	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	510.089
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	13.5
61.98698	21.9
67.73383	1.1
68.26751	1.2
69.22665	8.3
69.23093	3.5
71.01259	4.8
72.99194	1.3
73.02827	6.3
74.57166	1.1
75.00762	1.5
80.96380	1.5
82.60310	1.1
85.02821	4.4
87.00751	1.2
89.02326	3.5
93.09579	1.1
97.02802	1.1
101.02328	5.0
107.01244	1.5
109.02836	4.7
111.00748	1.2
113.02325	1.8
113.99451	1.1
115.19183	1.2
121.02821	2.2
133.02829	15.1
135.04550	1.2
137.02226	1.4
149.02301	3.1
151.00270	2.4
151.03926	1.4
161.02367	3.4
163.00288	5.3
163.03957	1.8
165.01830	2.2
175.03961	3.4
193.01350	1.9
199.03868	2.4
201.01776	2.3
205.03639	1.3
207.02832	2.7
213.05502	1.5
217.05022	1.5
225.05458	2.4
229.05168	1.5
233.04567	2.3
241.05069	1.7
253.05011	2.7
255.02966	2.2
257.04474	6.3
275.05603	3.9
284.03217	3.6
285.03998	47.0
286.04260	3.6
297.03998	44.5
298.04596	8.0
299.05566	21.3
300.05960	2.3
301.03540	16.7
302.03824	1.5
309.03900	1.8
311.05432	2.2
313.03534	4.4
325.03485	26.4
325.07022	1.9
326.03851	2.2
327.05081	32.4
328.05435	3.8
337.03387	2.1
343.04544	100.0
344.04904	9.1
347.24188	2.9
355.04465	2.4
411.07193	36.0
412.07385	5.1
429.08197	46.0
430.08377	6.2
447.09308	5.7
472.10388	1.3
509.29553	19.2
510.21713	2.1
510.29855	10.3
511.18658	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	510.0886
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01237	1.7
61.98705	5.9
69.24699	5.0
69.25130	5.4
79.20046	0.9
97.02843	1.2
98.20565	2.6
109.02853	2.3
112.01342	0.9
121.02832	1.0
125.02332	1.7
133.02824	11.3
149.02313	1.9
149.27794	1.0
151.00188	1.1
161.02394	1.9
163.00259	2.2
163.03909	3.7
165.01816	1.4
175.03908	2.9
178.31816	1.0
191.03360	2.0
193.01320	1.4
233.47740	1.3
269.04565	1.2
284.03119	7.7
285.04041	5.8
297.03976	15.8
298.04782	8.7
299.05573	19.4
311.05600	2.2
327.05066	100.0
328.05408	9.0
339.05130	4.6
357.06128	27.8
358.06277	2.4
369.05969	3.7
408.75348	1.2
447.09280	84.3
448.09711	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	510.0887
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	3.6
59.72751	0.3
61.98702	10.5
65.00182	0.4
71.01266	2.1
71.50395	0.6
72.99151	0.4
73.02788	1.5
75.00732	0.4
77.03819	0.4
85.02803	1.5
87.00755	0.4
89.02309	1.0
95.04842	0.4
97.02804	0.4
99.00725	1.4
101.02297	1.3
105.03358	0.4
108.18774	0.4
109.02790	2.0
113.02309	0.7
119.04876	0.8
121.02810	1.5
125.00500	1.3
125.02336	0.4
129.01758	0.4
133.02827	12.2
135.04384	1.6
137.02307	0.6
140.56320	0.4
145.02763	0.5
149.02332	1.7
151.00261	0.5
151.03894	0.4
161.02356	3.4
161.04405	0.5
163.00273	4.9
163.03873	2.3
165.01830	1.4
175.03883	1.9
189.01828	0.7
190.99745	1.3
191.03421	0.7
193.01329	0.7
199.03969	1.5
201.01846	1.1
207.02914	1.5
212.04500	0.5
213.05534	0.8
224.04739	0.5
225.05492	1.7
227.03435	1.1
229.05170	0.5
240.04103	0.6
241.05042	0.8
250.28667	0.4
251.03403	0.7
253.05049	2.4
254.05653	0.4
255.02995	1.6
255.06607	0.5
257.04538	0.5
269.04535	2.5
271.06079	0.5
281.04483	0.8
283.02383	0.6
284.03314	3.5
285.04022	10.6
286.04321	1.2
297.04019	35.1
298.04614	8.8
299.05585	20.4
300.05923	2.3
301.03464	0.6
309.03995	0.5
311.01904	0.5
311.05463	1.0
313.03592	3.6
324.02515	0.7
325.03510	24.5
326.03952	2.7
327.05072	36.9
328.05344	3.9
330.06430	0.6
339.05106	1.3
341.02972	0.9
343.04550	100.0
344.04895	10.5
347.24207	0.9
348.24820	0.5
355.04474	0.7
357.06079	3.1
393.06329	0.6
411.07315	1.5
429.08237	49.3
430.08569	6.8
434.17099	0.6
447.09351	1.3
466.16595	0.5
509.29611	5.8
510.16238	2.7
510.30029	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	510.0887
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09896	0.6
57.50152	0.6
59.01242	5.6
61.98700	11.0
68.36053	0.5
71.01250	4.2
71.50322	1.2
72.42695	0.6
72.99175	1.0
73.02808	0.7
74.90524	0.6
74.98977	0.7
75.00729	2.0
80.96346	0.7
83.01258	0.7
83.70743	0.5
85.02822	2.7
87.00734	2.4
88.09062	0.5
88.80118	0.6
89.02297	2.1
94.45015	0.6
97.62872	0.6
101.02293	2.1
102.98424	0.8
107.01292	0.7
109.02760	0.6
111.00721	0.7
113.02309	1.5
115.00248	0.8
119.03352	1.4
121.02821	0.7
121.83282	0.6
123.04308	0.6
125.02328	1.2
129.01767	0.8
133.02867	2.0
149.02333	1.1
151.00258	2.7
156.00600	0.8
159.02690	1.3
161.04242	0.9
165.01816	0.7
172.03340	0.6
175.02370	1.5
175.03851	1.1
175.46724	0.5
179.05518	0.9
187.05795	3.3
193.01280	0.7
199.03987	1.3
199.05779	4.1
205.03456	1.0
217.06836	12.1
249.03883	0.7
249.06245	0.7
256.03738	0.8
269.04471	0.6
284.00040	1.2
284.03247	33.6
285.04004	66.5
286.04382	6.5
297.03989	1.5
298.04678	1.2
299.05316	1.2
327.05011	4.6
341.06589	0.8
343.06586	0.7
347.24698	1.3
357.06223	2.7
365.79758	0.6
379.12201	2.3
431.09747	5.6
447.09277	100.0
448.09586	14.3
449.27457	0.6
461.10898	0.7
467.13626	3.2
509.29501	1.2
510.29840	1.1
511.05643	0.8
511.12186	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2881
Annotation	Unknow
Peak:m/z	Relative Intensity
53.98318	1.2
61.98710	7.4
66.66290	1.4
69.34372	2.6
69.34778	7.8
78.95772	27.8
96.96827	1.2
98.19811	2.5
102.05507	1.5
122.61790	1.2
126.78786	1.2
128.03430	1.6
152.99486	32.6
171.00598	2.4
186.81624	1.3
196.89375	15.7
227.03235	5.8
245.04079	1.5
260.44312	1.2
281.24841	100.0
282.25183	10.0
474.59811	1.3
509.28876	56.2
509.35614	3.0
510.29163	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	510.0888
Annotation	Unknow
Peak:m/z	Relative Intensity
56.97922	2.0
59.01250	39.1
61.98699	37.9
65.00192	1.6
71.01257	17.5
71.50314	2.1
71.50701	2.2
72.99178	2.8
73.02814	7.5
74.47778	1.4
75.00750	2.5
76.89722	1.5
78.03762	1.4
78.98450	2.4
79.95630	6.1
80.96387	49.1
81.03376	2.6
83.01267	3.3
85.02821	8.5
87.00750	4.8
89.02322	6.3
93.03367	1.5
94.97958	11.3
96.95866	1.8
99.00742	2.9
101.02327	10.9
109.02837	3.3
113.02350	4.2
117.01842	2.9
119.03385	2.9
119.04928	8.1
122.97471	2.1
125.02288	3.6
126.99445	2.1
133.02824	20.6
134.97452	2.8
136.99078	3.7
145.02878	2.4
148.99036	4.3
151.00291	2.1
152.98526	4.3
161.02299	7.7
161.04485	2.8
163.00298	11.4
163.03914	17.6
164.98532	9.4
175.03882	3.6
177.01852	3.3
182.99632	1.8
188.30005	1.6
201.01781	5.2
202.99759	3.7
206.99591	3.2
211.13419	3.8
217.06870	9.8
219.13824	1.9
225.00714	17.2
225.05559	4.0
227.03516	3.3
243.01617	1.9
249.06047	1.8
253.05020	3.2
255.02876	4.3
261.05865	3.5
269.04526	3.8
283.79163	1.8
285.01514	1.2
285.04019	57.9
286.04379	6.1
297.04019	100.0
298.04385	11.1
299.04379	1.9
309.03986	2.4
311.05579	60.9
311.09329	3.0
312.06006	6.6
313.03659	2.5
313.07147	3.8
321.04022	1.7
323.05576	2.0
327.04984	2.4
337.03448	18.0
338.03857	3.1
341.06479	4.7
347.23715	4.8
349.07104	5.0
351.05191	3.4
367.08191	6.0
385.05273	27.5
385.09485	9.0
386.06012	3.6
387.23892	2.5
393.06100	9.1
405.13263	2.3
411.07196	63.6
412.07422	7.8
416.16031	3.4
421.22870	2.2
429.08209	69.5
430.08502	11.6
434.17194	14.8
447.09634	2.0
451.23145	1.9
478.16129	10.7
509.29724	15.3
510.17938	10.4
510.29639	5.4
511.18515	92.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.239
Annotation	Tricalysioside A
Peak:m/z	Relative Intensity
59.01252	10.0
70.95040	1.7
71.01257	6.5
72.99170	0.8
83.64924	0.8
85.02820	1.0
89.02311	3.5
101.02333	4.0
113.02341	1.9
120.34689	0.8
241.15884	4.4
257.19086	8.1
258.19458	1.1
259.20572	2.7
275.20142	23.4
275.22952	1.8
276.20514	1.9
289.21613	1.7
301.18103	1.8
303.19638	91.1
304.19901	11.4
308.93213	1.1
317.21140	2.0
319.19016	1.3
347.18616	32.7
348.18771	4.3
406.09451	0.9
479.13287	1.1
509.23895	100.0
510.24222	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	509.26
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03335	1.6
59.01245	35.4
59.98522	1.6
61.98697	7.6
71.01249	15.3
71.50853	2.3
72.99173	2.5
73.02804	6.0
80.96401	1.5
83.01263	1.8
85.02837	3.4
87.00744	1.9
89.02335	8.5
101.02314	10.0
113.02337	3.2
115.29450	1.8
118.47968	1.6
119.03407	2.5
130.12093	1.8
150.06802	1.8
155.07112	1.6
161.04456	3.6
183.13809	10.1
195.13829	13.1
198.04265	1.9
211.13300	2.0
213.14893	100.0
214.15227	6.8
239.07985	1.9
253.06531	2.6
253.09248	31.8
267.07785	2.8
283.10931	4.2
285.03879	2.2
287.16461	3.8
297.04132	2.4
308.53900	1.6
395.69055	2.1
434.17172	12.4
463.56744	1.7
465.22244	2.7
478.16000	18.6
495.31897	2.0
509.30322	6.9
510.18732	28.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.1695
Annotation	Marikarin
Peak:m/z	Relative Intensity
52.95184	0.6
53.11613	0.7
59.00965	1.0
59.01250	14.5
61.98702	3.1
63.96101	1.1
69.03275	0.6
71.01250	8.3
71.50158	1.0
71.50544	0.7
73.02811	2.4
78.95786	1.3
78.98463	5.1
79.95598	8.3
80.96389	61.6
83.01200	1.0
85.02821	2.8
87.00751	2.2
89.02319	0.8
93.26113	0.6
94.97960	14.4
95.01250	0.7
96.95902	1.6
97.02811	1.1
101.02298	3.2
106.97966	2.7
113.02312	1.6
122.97480	4.5
125.02379	3.8
125.03146	0.6
134.97498	4.7
136.99039	1.4
146.97350	0.7
148.99046	6.9
152.98521	6.7
152.99570	0.9
164.98547	11.7
167.00119	0.8
182.99622	2.2
206.99635	2.7
209.11708	3.6
213.14893	4.2
225.00697	17.5
243.01772	2.0
254.16895	0.7
258.21658	0.6
299.04419	2.6
343.59482	0.6
434.17465	0.7
447.09207	0.8
478.15912	0.7
509.16965	100.0
510.17203	14.7
510.23984	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	509.2024
Annotation	Hypochoeroside G
Peak:m/z	Relative Intensity
55.01749	0.8
57.03317	1.7
58.00461	1.7
59.00958	1.3
59.01249	24.9
60.33571	0.6
69.98122	1.5
69.98517	1.5
71.01250	30.9
71.04877	1.0
72.99175	1.5
73.02817	11.6
83.01252	4.4
85.02817	11.3
87.00757	1.6
89.02308	12.0
95.01263	2.3
97.02806	0.7
99.00740	2.8
101.02321	20.8
106.59550	0.7
106.60329	0.6
113.02322	11.1
113.05726	0.7
119.03401	5.1
129.12955	0.6
130.13019	0.7
142.43361	0.6
143.03342	1.2
155.08562	2.0
159.02939	1.4
161.03255	0.7
161.04478	9.6
173.09615	2.8
183.08102	0.7
183.11734	1.5
185.13246	3.8
199.11238	1.7
199.14862	1.2
211.11206	13.5
212.11502	1.0
221.13278	1.5
223.11311	1.2
223.14862	19.8
223.50586	0.7
224.15227	1.3
227.07053	1.0
237.12798	5.6
238.13127	1.0
239.14366	4.6
241.15944	32.4
242.16251	2.7
255.10217	9.1
259.17227	0.8
267.13855	5.6
285.14917	4.1
303.16016	1.2
311.12857	1.8
329.13922	23.6
330.14301	2.7
347.14987	1.3
403.21191	2.4
421.22308	1.9
465.21259	10.6
466.21603	1.7
509.20245	100.0
510.20578	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	508.2677
Annotation	Unknow
Peak:m/z	Relative Intensity
58.26814	0.3
61.89645	0.3
69.14567	3.6
78.95773	100.0
82.39040	0.3
96.96841	7.7
98.19698	0.6
108.18839	0.3
140.01131	0.4
152.99486	17.9
153.99794	0.5
171.00555	20.6
327.12527	0.3
425.64813	0.3
434.23050	1.9
508.26773	67.4
509.27124	9.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.1066
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09817	2.7
59.01253	2.6
69.27777	2.5
69.47553	17.4
71.01239	5.3
80.97598	3.0
85.02818	4.9
89.02321	4.9
89.84101	2.7
92.92677	92.3
92.95892	2.8
96.95883	2.6
97.02843	5.8
98.20544	5.1
102.21061	2.4
103.30932	2.6
108.90065	3.1
109.02137	3.9
109.02829	34.4
110.03171	3.6
135.03430	5.5
135.04410	72.2
143.04900	4.9
146.03653	2.7
148.05191	3.8
149.05978	44.6
151.71335	2.5
159.04469	3.1
161.02344	16.0
161.05949	23.7
163.07509	3.6
165.05423	3.5
166.86006	14.3
168.06509	3.3
171.04456	4.3
173.06116	3.1
174.03174	4.2
175.03941	4.1
177.05502	15.9
179.03416	6.9
188.04599	2.8
189.05495	100.0
190.05823	5.7
191.06940	2.7
207.06563	65.8
219.06573	4.1
221.04462	12.8
231.06610	11.2
235.06129	8.8
239.05617	7.5
251.05655	3.3
275.02469	3.1
275.05524	4.9
297.95810	3.1
311.08017	13.6
311.10999	2.8
320.32266	2.7
351.10840	3.0
369.11911	10.8
383.09586	3.7
393.11984	4.2
401.10947	6.4
413.10861	56.0
414.11163	4.7
443.11859	8.8
461.49979	2.9
473.13025	29.0
474.13297	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	508.2677
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01259	0.4
59.22028	0.3
59.66264	0.3
62.67860	0.3
69.14326	0.7
69.14728	2.8
78.95770	100.0
96.96838	7.6
98.19759	0.6
99.72301	0.3
112.77196	0.3
122.98428	0.3
137.84607	0.3
140.01094	0.5
141.36858	0.3
150.97929	0.4
152.99489	17.4
171.00554	18.9
172.00926	0.4
207.47316	0.3
214.04755	0.6
216.61299	0.3
293.21140	0.4
311.22491	0.3
434.23160	1.6
508.26746	69.4
509.27072	9.8
530.04010	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.296
Annotation	Unknow
Peak:m/z	Relative Intensity
56.95662	0.2
59.01254	1.5
61.98687	0.6
69.28601	1.7
69.29018	0.4
71.01206	0.3
72.41516	0.2
75.00733	0.2
78.95752	0.6
83.49588	0.2
83.97189	0.2
89.02305	0.6
91.03867	0.6
93.03358	0.5
96.95880	0.4
98.20563	0.4
111.00756	0.6
117.03340	21.8
118.03613	1.0
119.04907	32.9
120.05264	1.1
120.94244	0.2
121.02827	4.0
123.04408	1.2
133.02837	0.9
134.03583	0.3
145.02844	100.0
146.03180	5.6
152.99518	0.6
162.03122	1.0
163.03906	23.2
164.04214	1.4
199.87617	0.2
221.67705	0.2
237.07573	0.4
269.21231	1.6
285.20789	0.3
287.22266	8.3
288.22607	0.9
333.18283	0.5
347.25894	0.6
386.65970	0.3
415.24857	14.7
416.25305	2.1
433.25885	17.2
434.26166	2.9
507.29572	65.6
508.29916	11.7
508.37662	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.2677
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01243	0.9
61.98697	0.8
62.96283	0.4
71.42307	0.3
71.42640	0.5
78.95776	100.0
85.02844	0.3
96.96835	7.4
96.97431	0.5
97.08133	0.3
97.48364	0.3
111.43099	0.2
124.99941	0.5
140.01112	0.8
148.28017	0.3
150.97934	0.3
152.99489	18.1
171.00549	18.5
172.00806	0.3
173.88890	0.3
211.72433	0.3
214.04865	0.3
311.22256	1.4
434.22726	1.6
437.66589	0.3
444.29181	0.3
468.75925	0.3
478.25046	1.8
490.25287	1.8
508.26752	67.0
509.27094	8.3
509.34665	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2724
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31061	0.3
59.01247	0.6
70.37696	1.1
72.79232	0.3
76.92777	0.3
77.99255	0.3
78.95773	21.9
96.96825	1.9
98.20418	0.3
150.97911	0.5
152.99487	33.4
161.42419	0.3
169.12355	0.4
171.00552	1.5
180.85329	0.4
227.03203	5.0
240.54755	0.3
245.04195	1.5
271.23969	0.4
279.01917	0.3
279.23279	100.0
280.23618	10.6
281.24915	3.8
282.25165	3.9
293.21201	0.6
415.22409	0.9
426.47385	0.5
507.27197	54.8
508.27603	9.0
508.33115	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.296
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	1.5
69.77378	0.7
69.77787	0.6
71.01232	0.3
71.73585	0.2
79.50671	0.2
89.02324	0.6
91.03905	1.1
98.20580	0.4
117.03347	21.0
118.03679	0.9
119.04913	32.5
120.05228	1.4
120.34520	0.2
121.02842	3.5
123.04387	1.1
133.02834	0.9
134.03577	0.3
145.02852	100.0
146.03186	5.1
162.03127	0.9
163.03912	21.4
164.04245	1.2
237.07623	0.3
247.61818	0.3
258.44980	0.2
269.21173	2.2
287.22281	7.8
288.22504	0.7
347.25842	0.7
409.67877	0.2
415.24869	15.5
416.25140	2.7
433.25909	18.0
434.26224	2.6
507.29608	66.4
508.29944	12.2
508.37750	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2597
Annotation	(+)-N(6)-Hydroxyaphelandrine
Peak:m/z	Relative Intensity
56.55677	0.7
57.03323	0.9
57.59380	0.7
59.01252	6.6
61.98698	7.1
67.86391	0.7
68.99645	0.7
71.01241	2.9
71.51156	0.8
73.03905	0.8
75.00740	0.8
78.95770	4.4
79.91547	0.7
86.92692	0.7
87.00767	0.7
89.02309	0.8
91.03860	2.2
93.03348	1.7
99.01851	1.1
106.04110	0.9
107.04881	2.0
107.08490	1.0
111.00742	0.8
111.08048	0.8
115.08628	1.0
119.04914	3.2
121.02851	2.0
121.10084	1.3
125.07082	1.0
125.80402	0.8
134.03592	1.0
135.04413	1.7
135.08054	0.7
137.07129	1.5
145.02852	2.9
146.06018	1.3
147.04391	2.0
149.05930	1.0
151.11137	2.1
152.99423	0.9
153.12701	1.0
155.08229	0.9
159.04459	4.3
161.02368	3.4
161.05957	1.5
162.05495	1.1
163.00269	2.4
163.11224	1.1
165.09109	0.8
165.12769	2.2
170.09248	1.7
171.04367	2.4
172.10765	4.5
173.02356	3.7
173.05978	2.3
174.02994	1.8
175.00276	1.3
175.03873	2.4
175.11108	1.0
177.01764	1.5
178.09879	2.1
179.14323	1.3
185.02318	1.2
185.06071	0.9
187.03946	8.0
187.07549	1.6
188.04741	0.7
189.01855	11.9
189.05400	1.4
189.09172	0.8
189.12663	0.9
190.02467	1.1
190.09836	0.8
191.10683	1.0
191.14255	0.8
192.11447	2.1
193.08591	1.1
195.10014	1.6
199.03931	1.6
200.10587	1.2
201.01886	1.1
201.05510	2.2
201.09135	1.2
203.03418	4.8
213.05493	1.4
213.09070	0.9
214.15582	2.4
215.03432	5.0
215.10732	3.2
216.03923	0.9
216.11430	1.3
217.05003	1.4
217.08717	0.8
217.12285	1.3
218.09404	1.1
219.17278	0.8
227.07051	1.1
229.05026	2.1
230.09549	1.1
230.12823	1.0
231.10199	1.3
231.13843	1.1
232.10913	1.3
234.08968	4.1
243.17401	1.0
244.10941	2.2
245.12926	1.4
245.15341	0.9
246.08942	2.6
259.13141	0.9
260.10538	3.4
262.12021	0.8
262.15454	2.5
269.11588	1.2
272.04388	1.0
272.10413	1.9
273.11017	0.9
273.22269	3.5
277.13748	0.8
285.22113	2.1
287.23795	1.9
297.22125	2.0
301.21628	2.3
313.21783	2.2
315.19507	1.9
315.23282	6.5
316.23477	1.6
317.21222	11.4
318.21518	1.5
319.22809	7.9
323.20099	1.0
327.19543	1.1
327.23196	0.8
329.21307	4.2
330.21613	1.1
331.22723	10.0
332.22876	0.9
333.20529	1.0
339.19431	1.2
341.21204	7.2
342.21713	1.1
343.19000	1.1
343.22742	3.9
345.20636	2.3
345.24490	1.0
347.22229	2.3
353.21426	1.0
357.20566	1.8
358.21036	0.8
359.22220	8.3
369.20575	1.9
371.22281	4.3
373.20261	1.3
385.20145	7.0
386.20477	0.9
387.21811	2.0
394.15451	1.1
397.20367	2.0
401.21890	9.1
402.21884	1.7
403.21170	2.4
406.16217	3.1
408.16888	1.1
415.21259	2.9
418.16171	1.1
432.18021	1.0
433.25974	4.2
435.23767	12.0
436.18048	0.8
436.24310	1.9
445.26028	1.7
447.23865	21.9
448.24432	4.0
449.25351	2.3
459.23694	6.4
460.24185	1.4
461.25378	6.0
462.25662	1.1
463.26996	2.3
477.24918	79.9
478.25266	13.7
489.24915	69.1
490.25284	12.8
507.25961	100.0
508.26440	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	507.2594
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66566	1.1
56.67151	1.3
57.03307	1.3
57.91273	1.1
59.01240	8.7
61.98692	4.6
62.86404	1.1
65.70372	1.1
71.01252	2.9
71.50658	1.9
78.95762	7.9
83.04920	1.8
89.02319	2.5
91.03857	1.7
97.06474	1.4
107.04949	1.3
108.71439	1.1
119.04941	1.3
121.02873	2.3
121.10145	1.6
122.03622	1.4
133.02837	1.6
133.17284	1.3
134.03714	1.2
143.04976	1.2
145.02859	3.0
147.04460	2.9
151.11156	4.0
152.99522	2.2
153.12706	2.6
158.03653	1.9
159.04390	5.6
161.02371	7.0
161.05945	3.0
162.03119	1.7
163.00270	2.3
163.11160	2.3
165.12715	2.5
168.11510	1.1
171.04407	2.1
173.02345	2.7
173.05907	1.7
174.01616	1.3
175.00285	1.3
175.02422	1.4
175.03957	3.0
175.07527	1.2
176.08347	1.1
177.01772	1.1
177.12764	2.1
178.09894	2.7
179.10701	1.4
185.02318	1.7
185.04018	1.1
185.05977	2.4
187.03952	10.2
187.07571	1.2
189.01846	18.4
189.05460	1.9
192.11436	3.0
193.08612	2.0
195.10184	1.8
199.04013	2.2
201.01921	1.9
201.05557	2.4
202.10045	1.3
203.03432	5.1
203.14325	1.5
205.15817	1.2
209.11751	1.6
215.03421	7.1
215.10762	4.4
216.11507	1.3
217.04921	1.8
219.13849	1.2
219.17415	1.6
227.07169	1.8
228.11401	2.4
229.04930	4.1
230.09535	1.4
231.10204	2.2
232.11024	2.1
234.08896	5.0
244.11053	1.9
246.08943	6.7
260.10577	3.2
271.20963	1.5
271.24173	1.7
272.10577	4.1
273.22241	2.6
285.22232	1.9
287.23849	3.5
289.21451	1.4
297.21967	1.6
299.19904	2.2
301.21698	3.2
303.23337	2.2
311.20093	1.8
313.21747	3.1
315.19769	2.8
315.23230	9.0
317.21207	14.9
318.21326	2.1
319.22729	9.9
323.20346	1.5
327.19583	1.7
327.23184	1.7
329.21262	6.2
331.22757	12.2
332.23041	1.9
333.16748	1.4
333.20624	1.6
341.21149	11.0
342.21573	1.5
343.22708	4.8
345.20639	3.7
345.24597	1.6
347.22122	3.3
353.21216	2.0
355.18860	1.6
357.20657	2.2
359.22198	7.4
361.19800	1.4
367.19040	1.3
369.20383	1.8
371.22250	5.8
373.20325	2.2
375.21899	1.9
385.20190	9.2
387.21677	2.1
397.20163	3.3
403.21176	3.1
406.16376	4.6
415.21078	5.2
418.16452	2.3
418.49802	1.4
433.26270	5.7
435.23734	11.9
436.24374	1.9
445.25702	2.5
447.23883	24.9
448.24158	4.4
449.25452	2.6
459.24005	7.5
460.23892	1.6
461.25510	5.9
463.26816	2.5
477.24918	100.0
478.25140	15.2
489.24933	95.1
490.25266	13.7
507.25931	94.2
508.26239	16.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2445
Annotation	Unknow
Peak:m/z	Relative Intensity
55.58695	1.2
57.03324	4.2
59.01254	100.0
60.01602	2.1
60.49734	1.2
61.98723	2.3
63.76651	1.2
71.01251	20.6
71.37603	2.6
72.99175	2.7
73.02821	10.2
73.18469	1.3
74.98960	2.6
75.00742	4.2
75.87137	1.4
83.01252	5.1
85.02821	19.2
87.00771	4.0
89.02317	5.5
95.01264	2.3
99.04444	1.5
101.02328	13.6
111.00765	6.0
113.02341	5.9
114.53883	1.4
118.97962	3.1
119.03390	2.3
125.02342	2.9
129.01840	8.9
135.04497	1.4
136.99084	1.3
141.01901	1.2
161.04454	3.3
175.02466	1.3
179.05482	1.4
199.07489	1.5
205.03413	6.6
252.84474	1.5
265.13644	1.7
285.20715	3.4
303.21802	4.7
327.13538	2.9
345.10416	1.4
345.22845	4.9
372.07327	1.5
447.26456	8.6
465.27036	12.3
466.27328	1.8
507.28156	56.8
508.28891	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	507.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20583	0.5
56.18991	0.6
59.01249	9.9
61.98695	0.6
69.03280	0.6
71.01253	2.4
73.02822	0.8
78.95782	0.5
85.02804	1.3
87.00751	0.5
88.98652	1.0
89.02306	2.3
97.02869	0.4
101.02321	2.8
111.64201	0.4
113.02325	1.4
119.03383	0.8
161.04497	1.0
167.14154	0.5
179.05518	0.6
183.13828	6.1
190.92618	0.5
193.12280	1.6
211.13329	100.0
212.13657	6.4
227.08150	0.4
229.35881	0.5
235.08180	0.8
253.09261	10.8
254.09579	0.5
267.19604	0.9
285.14648	0.5
343.19730	0.4
345.26419	0.8
447.22122	3.7
448.22766	0.9
507.32889	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03296	0.4
59.01248	16.7
61.98693	1.2
71.01254	3.9
71.50333	0.4
72.99187	0.6
73.02815	1.3
75.00735	0.4
78.95758	0.6
83.01254	0.7
83.04883	0.7
85.02813	1.3
87.00751	0.8
89.02315	2.7
95.04856	0.4
101.02319	3.4
113.02339	1.5
119.03396	0.9
123.75896	0.4
128.75172	0.4
136.05205	0.4
139.80568	0.3
149.05972	0.5
161.04446	1.4
165.12740	0.4
167.14304	0.5
179.05548	0.8
183.13838	5.8
184.14102	0.5
193.12404	1.8
193.13936	0.4
211.13336	100.0
212.13666	6.6
235.08093	0.7
253.09267	13.1
254.09563	0.7
259.16928	0.5
265.21545	0.4
281.21426	0.4
283.22690	0.8
299.22357	1.1
303.16125	0.9
327.21930	0.6
345.22800	3.0
345.26321	0.5
346.23346	0.5
376.94113	0.3
447.22195	3.3
448.23026	0.5
507.28189	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1902
Annotation	Unknow
Peak:m/z	Relative Intensity
54.58080	0.4
55.01754	0.4
58.99477	7.9
59.00960	0.7
59.01248	8.2
61.98702	1.2
65.62649	0.4
71.01251	7.7
71.49850	0.4
72.99191	3.3
73.02821	1.7
75.00771	0.7
82.55493	0.5
83.01260	0.7
85.02817	3.3
87.00750	10.0
87.04425	0.6
89.02317	2.5
99.00738	0.7
101.02319	3.9
102.98476	47.7
103.98827	0.9
113.02328	2.9
119.03374	1.4
120.99488	0.9
135.98267	0.7
145.77335	0.4
149.02356	0.8
150.03136	1.7
161.04469	3.9
165.05475	1.2
167.03484	0.5
175.02235	0.7
179.05510	1.0
195.06548	1.3
195.08174	0.7
209.09735	0.7
221.09695	7.0
222.10042	0.5
237.09271	1.6
249.06137	7.3
250.89709	0.4
257.12173	7.7
258.12640	0.6
265.08667	1.9
281.08325	1.2
283.04926	100.0
284.05219	4.9
309.07776	1.3
327.08710	7.8
328.08823	0.7
345.09802	2.0
369.13470	0.9
452.68417	0.5
503.64993	0.4
507.14633	11.8
508.15396	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	507.1905
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	6.7
59.75245	0.3
61.98689	0.7
62.11113	0.3
63.96113	0.3
69.52637	2.3
71.01247	1.6
72.99184	3.0
73.02785	0.5
75.00739	0.4
80.52279	0.3
85.02857	0.6
87.00765	0.4
89.02315	0.9
98.05579	0.3
101.02328	1.4
104.08369	0.3
108.02016	0.5
113.02313	0.8
115.00209	0.3
119.03413	0.3
120.99536	100.0
121.99875	1.4
125.61701	0.3
136.54085	0.3
138.01866	5.1
139.02216	1.7
149.09581	0.5
161.04457	0.4
167.10684	0.9
169.01369	0.3
175.02371	1.1
179.05518	0.7
181.01373	0.3
199.06252	0.4
209.04430	0.8
209.09525	0.3
221.09775	2.4
237.09114	0.9
238.03545	0.3
265.08728	0.6
309.07697	0.9
327.08792	2.9
345.09781	7.7
345.15451	1.3
346.10184	0.8
373.14069	0.6
382.45395	0.4
387.20218	0.4
447.22549	0.9
485.86105	0.4
507.15332	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3016
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01750	1.4
57.03325	3.4
57.03609	0.6
59.01248	10.9
61.98387	1.4
61.98699	26.0
62.03704	0.6
68.99673	1.7
69.03312	3.3
71.00854	1.2
71.01250	21.3
71.08588	1.6
72.99172	3.0
73.02814	1.0
74.71004	0.6
75.00738	15.7
83.01257	5.4
85.02819	21.6
87.00755	6.8
89.02324	4.8
91.03858	1.6
95.01259	7.8
97.33171	0.7
99.00747	16.1
103.00236	1.5
111.00758	3.7
112.01511	1.2
113.01527	1.6
113.02327	31.4
114.02672	0.7
115.00267	1.1
117.01860	0.7
129.01837	1.1
131.03400	2.6
139.00272	1.3
157.01280	3.3
175.02408	1.7
187.06110	0.7
191.75558	0.7
205.07091	2.8
223.08228	0.9
249.06107	23.0
250.06465	1.6
255.23253	100.0
256.23584	9.2
267.07205	6.7
305.69553	0.8
335.31592	0.7
380.63980	0.7
396.32434	0.7
487.29135	1.1
505.30164	95.5
506.30460	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	506.1512
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	7.1
61.98703	0.8
71.01241	2.1
71.15229	0.5
71.49860	0.7
73.02809	0.9
87.00742	0.8
89.02300	0.8
101.02357	1.2
106.97060	0.5
108.02043	6.6
113.02332	0.9
118.97965	0.6
119.59460	0.6
120.99509	1.2
121.02861	0.6
122.81306	0.5
138.01863	100.0
139.02217	3.8
167.10741	0.8
175.02437	0.7
209.08179	0.6
210.08463	0.6
279.00586	0.5
373.14069	0.9
443.05405	0.6
506.10376	1.5
506.29813	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	506.2523
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01258	2.8
69.31240	3.6
71.01286	0.4
78.95776	100.0
82.14778	0.4
96.96838	7.3
101.02329	1.1
124.99976	0.9
140.01067	0.7
152.99489	17.5
154.90144	0.4
161.36015	0.4
167.01138	0.4
171.00551	19.2
197.02148	0.9
206.73363	0.4
264.03412	0.5
268.05869	0.6
291.19678	0.6
295.93137	0.4
296.80786	0.5
309.20816	0.4
378.16592	0.7
432.21585	1.4
436.17267	0.5
471.25836	0.7
506.25238	67.6
507.25458	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	505.2806
Annotation	Mucronine A
Peak:m/z	Relative Intensity
55.92296	0.3
59.01247	1.8
60.80542	0.3
70.83158	0.4
70.83477	0.5
71.01265	0.4
91.03895	1.0
93.03347	0.4
117.03345	23.8
118.03584	0.4
119.04910	34.3
120.05221	1.5
121.02843	3.7
123.04399	0.9
133.02818	0.6
145.02849	100.0
146.03177	4.9
162.03194	0.7
163.03917	24.0
163.38683	0.3
164.04254	1.2
174.11034	0.3
237.07770	0.4
267.19604	1.8
285.20700	8.4
286.20963	1.1
345.24252	0.5
413.23306	15.3
414.23608	2.4
417.77277	0.3
431.24344	15.8
432.24603	2.4
505.28043	65.5
506.28409	12.2
506.35980	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2805
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	1.7
66.18742	0.4
67.54784	0.3
70.51803	0.6
70.52135	0.8
71.01231	0.3
79.34435	0.4
82.73963	0.3
85.63323	0.4
89.02302	0.7
91.03907	0.5
117.03345	22.7
119.04911	31.4
120.05242	1.2
121.02824	3.7
123.04408	0.7
133.02847	1.0
133.93053	0.3
145.02847	100.0
146.03183	5.9
162.03117	0.6
163.03906	23.2
164.04181	1.1
189.11536	0.4
267.19614	1.5
285.20721	7.7
286.21033	0.7
306.08707	0.4
345.24353	0.7
413.23331	13.5
414.23618	2.3
416.20590	0.4
431.24332	18.0
432.24973	2.6
473.42612	0.5
505.28049	63.0
506.28354	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	505.3019
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03310	1.7
59.01252	13.3
64.13654	0.8
67.01764	1.5
68.99679	1.3
69.03323	1.1
70.99511	1.3
70.99850	2.0
71.01250	15.9
72.99202	5.3
73.02827	1.1
75.00748	19.4
78.95767	2.4
85.02827	19.9
87.00751	6.4
89.02310	3.3
95.01260	4.9
97.02802	1.3
99.00760	8.2
103.00234	2.4
113.02332	23.4
115.00245	2.3
117.01848	2.7
129.01840	2.0
145.09508	1.1
157.01318	1.2
168.71419	1.0
169.12173	1.7
175.02406	2.3
213.11229	2.1
213.14804	1.1
231.05060	1.8
249.06146	18.5
255.23257	100.0
256.23669	10.0
267.07117	3.1
309.20743	1.8
487.29050	2.6
488.29550	1.5
505.30176	89.7
506.30447	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	505.257
Annotation	Amoritin
Peak:m/z	Relative Intensity
59.01240	1.8
62.72467	0.5
70.98911	1.1
78.95773	25.8
83.04884	0.6
96.96834	2.2
134.98404	0.6
152.99489	40.3
153.99773	0.7
171.00539	1.8
227.03175	6.6
228.03392	0.5
245.04297	2.2
275.20181	0.8
277.21707	100.0
278.22043	11.2
360.95883	0.5
413.21054	0.8
505.25708	63.7
506.26007	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	505.2656
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	1.0
55.93848	0.3
56.54552	0.3
57.03316	1.8
58.00466	0.7
59.01252	33.9
60.01593	0.6
61.98697	0.7
68.03156	0.3
69.03339	0.8
69.41515	2.5
71.01255	11.6
71.04903	0.6
72.99182	2.0
73.02824	6.0
74.97077	0.3
74.98972	0.5
75.00753	1.0
77.75928	0.3
83.01259	3.4
83.04903	0.8
84.02058	0.5
85.02828	6.6
85.99953	0.8
87.00749	2.8
89.02311	2.3
95.01283	1.2
96.43270	0.3
97.02837	0.7
97.06485	1.1
99.00753	1.8
99.04440	0.3
101.02329	10.4
110.03681	0.3
111.00758	1.5
111.08065	0.5
113.02325	3.9
115.00264	1.4
118.97981	2.7
119.03373	0.6
121.49789	0.3
125.02349	1.1
125.06026	0.4
125.09673	0.3
129.01860	0.6
129.05478	0.4
133.02847	0.4
134.06119	0.4
136.03949	1.4
136.07634	0.4
143.03407	0.6
146.08148	1.4
149.02414	0.5
151.00294	0.7
157.12265	0.5
159.02890	0.6
161.04448	1.4
171.10280	0.4
175.02402	2.8
179.05525	0.6
193.01352	5.1
197.15294	0.4
209.11627	0.4
223.13373	0.5
225.15053	0.5
237.18585	0.7
241.14426	2.5
251.12785	0.3
269.14014	0.4
277.12326	1.6
283.19156	1.6
299.22318	4.8
300.22699	0.4
301.03586	3.6
301.07019	0.6
301.20209	3.9
302.20486	0.5
325.19815	0.4
329.11429	0.4
343.21198	3.2
385.22226	0.6
399.23920	0.6
445.24380	6.2
446.24612	0.5
463.25476	17.9
464.25769	3.0
487.08484	0.6
487.25687	0.9
505.26605	100.0
506.26947	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	505.2291
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03519	0.5
59.01251	21.3
61.98697	1.7
69.15144	2.3
69.15575	3.4
71.01255	5.3
73.02803	0.7
75.17498	0.6
77.19042	0.6
78.95781	3.5
85.02814	1.3
86.60964	0.5
87.00756	0.8
89.02319	2.8
93.03252	0.6
98.09673	0.6
98.19714	0.6
99.00722	0.6
101.02316	2.8
113.02317	2.2
119.03429	0.9
130.08685	0.7
134.84528	0.6
152.99461	0.9
161.04491	1.1
189.01866	1.5
209.11765	100.0
210.12122	7.3
215.03510	0.9
235.08165	2.5
253.09248	9.6
254.09392	0.7
307.22711	2.5
325.23776	2.5
343.24747	2.6
418.16266	0.9
445.21292	1.2
475.23209	2.8
476.23227	0.7
487.23239	2.2
505.23633	1.4
505.30185	12.9
506.24893	1.6
506.31165	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.257
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	0.5
56.04726	0.4
57.62662	0.4
59.01250	1.6
70.68771	0.4
71.01256	0.6
71.49565	0.8
78.95773	29.8
96.95881	0.7
96.96860	2.6
99.00779	1.8
100.01518	0.4
111.00780	1.2
120.37921	0.4
124.13594	0.5
127.07567	0.7
145.67218	0.5
150.97952	0.6
152.99489	42.0
153.99768	1.0
156.00560	6.1
171.00566	2.0
227.03204	5.9
245.04279	1.7
246.04143	0.5
248.08003	0.6
277.21713	100.0
278.22058	10.9
279.23172	3.2
280.23599	6.2
413.20898	1.2
431.22101	0.5
462.20755	0.4
487.27145	0.6
505.25656	63.4
506.26019	11.0
506.32965	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2203
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05700	2.0
59.01244	9.4
61.98693	9.5
65.33127	2.2
70.19218	2.1
71.01242	5.4
71.50739	3.6
71.51117	3.2
72.99170	6.6
75.00732	6.8
78.95741	4.9
83.01237	2.3
87.00732	3.5
99.00729	5.7
105.15163	2.1
105.45908	2.0
111.00748	5.5
112.98672	9.1
113.99506	4.1
114.05483	3.3
115.00273	4.8
121.02808	8.8
135.02873	10.8
142.99741	17.8
145.02803	3.3
156.00529	14.1
165.12758	3.6
173.00809	24.3
174.01608	100.0
175.02380	11.5
191.14491	2.2
279.23291	4.0
295.22748	13.2
307.22684	4.4
319.22766	3.2
333.20667	7.3
347.22220	9.3
351.21692	16.8
360.06055	2.5
373.20483	4.0
389.23358	2.4
391.21307	4.4
409.22311	17.1
415.21155	2.9
433.22183	8.2
451.23264	11.6
469.24496	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	505.2293
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00958	1.3
59.01254	23.6
61.53136	0.6
61.98695	1.0
71.01250	5.2
71.02429	0.6
71.50100	1.4
72.99169	0.7
73.02820	2.1
78.95770	9.8
85.02818	2.9
87.00791	0.9
89.02320	2.7
101.02309	3.3
111.37355	0.7
113.02276	1.2
119.03404	1.2
128.73567	0.8
138.96771	0.7
152.99471	1.8
161.04424	1.9
171.00603	1.8
175.02414	1.4
185.26152	0.7
191.57506	0.8
209.11771	100.0
210.12119	7.5
235.08197	3.0
253.09267	12.3
254.09550	0.9
343.28580	1.0
452.95966	1.0
455.96548	0.7
505.30182	2.3
505.33298	2.1
506.25476	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	505.1136
Annotation	Unknow
Peak:m/z	Relative Intensity
57.25036	0.2
57.34215	0.2
59.01242	0.5
69.82346	0.5
69.82757	0.7
77.03845	0.3
78.95763	0.4
93.03321	0.5
103.33517	0.2
112.17513	0.3
117.88387	0.2
119.04945	0.3
121.02843	100.0
122.03175	4.1
145.02855	1.1
163.03900	0.2
179.05086	0.3
180.05739	0.8
181.06537	3.4
197.06030	2.8
206.07191	0.2
207.04427	1.1
207.08080	0.3
223.03867	0.3
225.05554	1.8
244.64647	0.3
251.07191	0.5
257.09680	0.9
285.09225	0.3
285.20737	0.3
301.08615	0.4
313.07172	5.4
314.07474	0.5
357.06107	1.2
373.10419	0.5
383.07645	1.1
385.85983	0.3
417.09805	10.2
418.10043	1.2
433.09253	0.3
461.12851	0.4
505.11377	7.3
505.28323	0.8
506.11557	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	505.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01240	1.0
63.26340	0.7
69.41998	2.8
69.42434	3.2
85.02843	0.8
93.03323	2.5
98.19784	1.0
108.02054	6.5
109.02838	2.3
111.71391	0.8
121.02844	19.9
123.04408	1.9
131.04958	1.1
134.03612	2.7
135.04411	3.9
145.02831	2.9
146.03647	4.6
147.04428	4.1
148.05223	12.0
149.02341	1.6
149.06013	4.5
150.03122	1.3
158.03661	3.8
159.04427	7.2
160.05214	28.9
161.02368	1.3
161.05992	5.6
162.03156	3.0
163.03899	2.7
163.07458	1.7
164.04678	1.0
165.05443	1.5
171.04401	1.5
173.06015	1.0
174.03117	4.1
175.02582	0.9
175.03880	5.5
175.07553	5.0
176.04749	8.2
177.05495	16.2
178.06265	20.1
179.06815	2.4
180.04176	0.9
187.03944	9.7
188.04716	14.6
188.19144	0.8
189.05365	2.9
190.06244	2.8
191.07066	43.7
192.04185	2.5
192.07547	2.5
193.04947	1.0
193.08612	2.6
195.04431	1.0
196.05173	1.4
197.06046	1.8
197.71834	0.9
203.07082	49.4
204.07446	3.0
206.05782	15.0
208.03731	1.4
209.06004	2.4
210.05238	6.2
211.03908	1.9
211.07455	0.8
212.04646	1.0
213.05473	1.5
221.06325	2.4
221.08130	56.0
222.05275	2.3
222.08478	3.1
223.03992	1.2
223.07532	1.4
224.04684	2.6
224.06824	1.2
225.05481	2.9
226.06090	1.2
233.06036	1.6
235.03987	3.1
235.07591	1.1
236.04736	1.4
237.05516	4.2
238.06288	2.1
239.03497	1.7
239.07033	1.1
240.04292	4.0
241.04990	4.7
245.06187	0.8
246.06816	0.7
247.04137	1.1
247.07327	1.1
248.04787	4.5
249.05504	5.5
250.06305	2.7
251.03474	9.2
251.06883	2.0
252.04161	3.5
253.05052	7.1
254.05742	2.3
255.06471	1.7
256.07407	3.8
261.05502	4.0
262.06311	3.2
263.03494	2.3
263.06906	2.6
264.04245	7.6
264.07355	1.7
265.05075	11.2
265.08188	1.2
266.05737	3.4
267.06540	1.9
268.07349	2.6
269.08139	6.3
271.09708	6.9
272.10028	0.8
274.06241	1.7
275.07169	2.2
276.04221	1.7
277.05032	11.6
278.05841	9.2
279.06580	3.8
280.07315	3.3
281.08185	3.4
282.08810	1.5
283.09790	6.6
284.09860	0.8
287.07022	0.9
289.05038	1.3
290.05753	3.5
291.06613	4.1
292.07294	2.4
293.05240	1.1
293.08090	4.7
294.08771	1.4
295.06262	0.9
295.09717	2.3
296.06961	1.2
302.06006	1.5
303.06693	2.2
304.07172	1.2
305.08105	2.7
307.09769	1.2
308.06967	1.6
309.07776	2.6
310.08435	3.0
311.09125	3.9
319.09448	1.0
321.07629	2.3
323.09198	2.7
325.10699	3.0
326.11533	1.4
327.10214	1.1
335.09244	1.8
336.10110	1.8
338.09399	1.2
339.09958	1.6
340.10718	0.9
343.10297	1.2
351.12106	2.9
355.09756	2.9
356.10184	1.6
357.11148	1.2
365.08032	1.5
366.08850	1.8
367.09625	5.3
368.10440	2.3
369.13336	2.7
370.13550	1.0
371.09253	1.3
372.09756	1.0
373.10999	1.7
377.07956	1.5
378.08740	1.5
379.09726	3.8
381.13065	1.2
383.09174	3.5
383.13373	1.4
384.09863	3.0
385.10712	3.1
386.11499	1.3
394.08426	2.8
395.08954	7.3
396.10010	7.0
397.10950	3.7
399.12793	4.3
400.09378	3.3
401.10144	2.1
402.10724	1.2
405.07666	1.2
406.08032	1.5
406.49103	0.8
407.08871	4.1
408.09644	1.8
409.11038	5.4
410.11441	1.5
411.12714	5.3
412.09290	10.8
412.13348	0.8
413.09946	5.2
414.10941	2.3
415.06628	1.1
415.11847	13.4
416.12341	4.0
417.13132	1.1
421.10809	1.8
423.08087	1.4
423.13177	1.6
424.09238	8.5
425.09662	3.6
426.10526	1.6
426.15533	1.0
427.11804	31.3
428.12091	6.5
429.13467	3.1
430.09518	2.6
430.14987	9.5
431.14740	3.1
439.11841	21.3
440.12271	3.4
441.13992	1.9
442.14798	19.0
443.14935	5.6
444.15778	2.7
445.16885	58.6
446.17590	8.1
453.13718	1.3
454.14145	12.1
455.14713	3.5
457.16962	100.0
458.17389	16.4
459.18271	10.3
460.15201	3.2
469.16544	68.7
470.16846	13.5
471.14578	1.3
472.15201	18.6
473.15494	2.4
475.17599	41.3
476.18124	5.3
487.17603	89.1
488.17969	15.0
505.19034	8.0
505.26114	1.3
506.19290	1.1
510.43097	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.3089
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01239	0.4
62.55601	0.1
62.96281	0.2
70.12081	0.2
71.01256	0.1
73.38613	0.1
78.95771	23.5
83.04898	0.1
96.96831	0.4
104.97347	0.1
121.02942	0.1
122.98425	0.2
134.98392	0.1
152.99481	3.0
168.04219	3.6
169.04550	0.1
171.00542	0.1
194.05843	0.2
224.06880	9.7
225.07219	0.4
242.07948	2.4
259.20782	0.1
261.22250	0.4
277.21594	0.1
279.23270	100.0
279.73111	0.1
280.23611	11.0
415.22510	0.2
504.30930	22.4
505.31302	4.0
505.38904	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	504.3089
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51841	0.1
59.01245	0.5
71.01239	0.1
71.50044	0.1
77.80099	0.0
78.02188	0.1
78.76695	0.0
78.95770	6.6
83.04894	0.1
94.29990	0.0
96.96834	0.2
97.06495	0.1
99.00754	0.1
99.39516	0.0
100.01507	0.1
111.00763	0.1
152.99478	1.7
156.00539	0.3
168.04218	1.7
171.00476	0.2
211.59386	0.1
224.06851	1.1
227.03178	0.2
242.07936	2.8
243.08281	0.1
261.22153	0.4
277.21716	3.5
279.23260	100.0
280.23596	10.7
417.91763	0.1
504.30930	6.5
505.25592	1.7
505.31549	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.0988
Annotation	3,3',4-tri-O-Methylellagic acid 4'-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
55.01759	0.8
57.03317	1.6
59.01258	10.9
60.33081	0.6
61.98701	2.5
71.01250	4.6
71.03834	0.7
71.04179	1.4
72.99197	1.1
73.02830	1.7
74.27029	0.6
75.00753	1.6
79.01773	1.9
83.01276	1.5
85.02388	0.9
85.02829	4.0
87.00749	1.6
89.02335	2.2
93.03386	0.9
95.01293	1.2
97.02819	1.0
99.00757	1.0
101.02320	3.0
102.98478	1.2
109.02856	6.7
111.00762	1.3
111.04353	0.7
113.02380	1.5
118.97943	1.1
119.04913	1.0
121.02785	1.0
129.01822	1.8
131.04979	0.7
133.02855	17.6
133.03842	1.1
133.06468	1.5
134.03627	0.8
135.04431	6.3
135.05373	1.1
137.02325	0.7
147.04340	0.7
149.02380	2.2
149.05931	3.2
151.03960	1.3
155.10760	0.7
159.04419	0.7
161.02361	2.5
161.04526	1.0
162.03072	0.8
163.03896	1.5
165.01819	0.8
175.03917	3.0
177.01880	4.2
177.05417	3.2
179.03441	2.8
179.05634	0.8
185.06128	0.9
189.01852	1.2
189.05540	1.1
191.03397	1.4
199.03949	0.7
201.01884	1.7
203.03474	1.2
205.01405	1.7
205.03511	1.7
207.02985	1.5
211.04062	0.8
211.07727	0.7
213.05553	2.0
223.07593	0.8
225.05589	1.0
226.06247	0.9
231.03029	0.8
239.07220	1.0
241.08507	0.9
243.02855	0.9
253.05080	0.8
254.05786	1.0
265.05066	0.8
267.06589	1.7
269.04596	2.3
270.05396	0.8
281.04572	1.1
283.05945	1.8
284.06857	1.0
285.04279	1.2
285.07547	0.9
295.06171	1.5
296.03741	0.7
297.04214	2.9
298.04822	2.8
299.05548	10.4
300.05963	1.4
309.04147	1.4
310.04776	1.8
311.05618	16.2
311.09232	0.9
312.06381	5.7
313.07178	52.4
314.07645	5.5
323.05499	3.1
325.03445	2.4
325.07217	6.4
327.05118	2.8
337.03717	1.1
338.04105	1.3
339.05048	11.3
340.05380	1.1
341.06656	85.0
342.07077	10.0
343.04633	2.0
344.05450	3.7
353.06653	14.0
353.10742	1.1
354.07040	2.4
355.04688	0.7
355.08603	0.7
357.06271	1.6
367.04547	5.1
368.05136	0.7
369.06024	3.7
371.07730	29.5
372.08060	4.7
383.07840	3.2
385.05545	13.1
385.09872	1.0
386.06100	1.7
397.05444	3.3
413.08871	1.2
415.06616	7.8
416.06793	1.6
427.06467	0.9
443.09875	1.8
445.07709	1.2
461.10901	21.1
462.11310	2.2
487.08844	4.9
505.09888	100.0
505.26077	2.7
506.10226	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	504.2814
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91346	0.4
52.46047	0.5
55.01733	0.8
57.03321	1.1
59.01252	3.8
61.98702	100.0
69.03340	0.9
69.25597	1.1
69.26012	4.3
71.01258	6.8
72.99203	1.1
73.02802	0.6
75.00745	3.6
79.00659	0.5
79.86440	0.7
82.78123	0.5
83.01275	1.0
85.02816	7.8
87.00774	2.1
89.02325	1.5
91.03910	0.5
95.01260	1.8
99.00766	5.3
101.02341	0.6
105.07497	0.5
113.02335	9.3
131.03374	0.8
133.98827	0.4
157.01309	1.1
158.07449	0.5
172.06947	0.5
249.06166	5.9
255.23274	31.5
267.07285	1.9
307.26382	1.1
382.47028	0.6
487.28955	0.8
505.30191	32.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.2811
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23419	0.6
52.42501	0.7
59.01236	0.8
61.98700	100.0
69.39149	2.4
69.39568	2.8
92.30285	0.7
99.78558	0.6
110.02373	2.6
112.98695	2.6
118.17195	0.6
169.32500	0.6
198.19756	0.8
277.21646	0.8
480.58417	0.7
524.13892	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.2816
Annotation	Unknow
Peak:m/z	Relative Intensity
56.14638	0.4
59.01265	0.7
60.69448	0.4
61.98702	100.0
66.00663	0.5
71.01254	0.6
71.52193	0.5
75.00755	0.7
85.02782	0.6
99.00759	1.0
113.02373	0.6
121.67340	0.5
142.71172	0.4
165.36833	0.5
219.99274	0.4
255.23158	2.3
331.28845	0.4
340.33469	0.4
457.71326	0.4
505.30377	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	504.1511
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15923	2.7
59.01243	3.6
61.98697	2.6
71.01254	19.0
71.50941	4.7
74.59812	2.0
83.88209	2.1
86.44589	2.4
93.03333	3.8
98.40460	2.4
114.01865	23.0
115.00253	23.7
121.02840	87.3
122.03589	11.1
123.04359	3.8
126.57422	2.7
132.02919	3.1
134.03621	33.5
136.01524	2.8
149.02356	32.3
149.05998	27.4
150.03137	100.0
151.03557	4.7
160.01549	4.8
161.05984	5.4
164.04718	7.0
165.05482	94.7
174.05557	3.1
175.03958	3.4
176.03424	3.1
177.04289	6.3
177.07629	2.3
178.02716	2.2
180.04219	8.2
181.04953	3.9
192.06596	16.2
193.05031	20.5
195.06570	32.8
196.06950	2.9
209.04501	49.2
210.04829	4.4
213.85847	2.5
246.07620	3.8
261.00952	2.4
263.08035	3.2
264.08682	15.5
296.62750	2.4
302.63278	2.3
325.09583	3.3
340.11945	4.1
389.12350	4.6
412.13980	3.3
504.15161	83.8
505.09241	3.8
505.15720	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	504.1511
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15923	2.7
59.01243	3.6
61.98697	2.6
71.01254	19.0
71.50941	4.7
74.59812	2.0
83.88209	2.1
86.44589	2.4
93.03333	3.8
98.40460	2.4
114.01865	23.0
115.00253	23.7
121.02840	87.3
122.03589	11.1
123.04359	3.8
126.57422	2.7
132.02919	3.1
134.03621	33.5
136.01524	2.8
149.02356	32.3
149.05998	27.4
150.03137	100.0
151.03557	4.7
160.01549	4.8
161.05984	5.4
164.04718	7.0
165.05482	94.7
174.05557	3.1
175.03958	3.4
176.03424	3.1
177.04289	6.3
177.07629	2.3
178.02716	2.2
180.04219	8.2
181.04953	3.9
192.06596	16.2
193.05031	20.5
195.06570	32.8
196.06950	2.9
209.04501	49.2
210.04829	4.4
213.85847	2.5
246.07620	3.8
261.00952	2.4
263.08035	3.2
264.08682	15.5
296.62750	2.4
302.63278	2.3
325.09583	3.3
340.11945	4.1
389.12350	4.6
412.13980	3.3
504.15161	83.8
505.09241	3.8
505.15720	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	504.1145
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05353	2.2
59.01225	6.9
60.01203	2.5
61.98672	5.6
65.00152	2.8
65.99696	2.7
66.60497	2.3
71.01215	6.3
71.37052	3.3
81.03309	2.6
83.01204	3.9
85.02785	3.9
95.01214	3.5
95.04858	2.9
97.02793	4.4
107.01214	4.1
107.04819	2.7
109.02785	10.1
115.00201	6.7
118.02842	5.8
119.04796	3.7
121.02831	12.3
122.02287	7.8
123.04394	13.8
125.02339	11.9
132.04385	4.2
133.02879	20.5
134.02299	10.3
134.03546	7.7
135.04326	10.0
136.01515	3.8
137.02365	16.5
138.03067	5.9
148.03864	4.1
149.02272	8.1
149.05901	3.2
150.03127	12.0
151.00221	5.1
151.03906	24.5
153.01797	3.5
159.04359	2.7
160.03871	8.1
161.02335	5.4
162.01921	14.3
162.02960	3.7
162.05449	4.3
163.00214	4.1
163.02547	17.9
163.03825	5.2
164.03317	10.4
165.01860	13.0
165.05489	11.5
166.02501	9.9
166.09189	2.4
167.03291	9.9
172.03859	4.9
174.05386	4.6
176.03435	26.5
177.01907	14.5
177.04111	4.8
178.04939	3.5
179.03458	23.2
179.04907	4.0
188.03319	4.2
189.01721	4.6
190.04861	10.5
191.03381	4.7
192.06496	6.4
193.01357	13.8
197.04395	4.4
200.03310	5.4
203.03348	4.3
205.01237	5.3
206.04535	100.0
207.04724	7.9
209.04312	8.6
216.02736	3.2
218.04340	8.3
219.02905	3.2
221.00745	3.8
223.02327	3.2
230.04395	4.2
231.02650	2.3
235.02443	3.3
236.05615	36.3
237.05739	3.1
241.04935	5.4
248.05414	6.8
255.02780	10.5
256.03503	2.5
257.04401	4.4
269.04364	9.3
270.05023	5.0
271.05991	5.0
283.02356	2.9
283.05875	5.0
284.03070	4.4
285.03830	7.5
290.06448	3.3
297.03799	9.6
298.04785	36.5
299.05594	23.2
300.02356	5.1
300.05542	3.7
301.03244	2.5
308.07538	4.1
311.05539	10.7
313.03427	14.8
313.06369	2.5
315.04840	3.2
316.05600	4.3
325.03198	4.6
326.04111	14.8
326.08530	79.4
327.04727	19.0
327.08728	6.5
328.05362	3.7
329.06314	7.3
330.03568	3.8
337.05722	3.2
339.04730	10.7
343.04166	7.3
344.05029	3.0
356.05124	14.1
357.05759	10.5
358.06219	2.7
366.06180	24.9
369.05881	5.3
373.05264	3.2
384.07272	67.9
385.07339	6.5
396.07117	19.7
414.08383	23.3
419.09488	6.8
428.07410	3.0
446.08640	10.9
447.08585	10.1
463.08179	9.7
464.09006	2.9
468.09238	3.9
486.10370	39.4
487.10321	5.7
504.10974	94.1
505.11047	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	503.2497
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55770	0.4
57.03318	1.5
59.01241	2.6
59.46924	0.5
61.98689	2.5
67.01757	1.9
71.51113	0.5
87.00753	7.2
99.92458	0.5
107.60592	0.4
111.00763	100.0
112.01105	3.4
121.02839	1.4
154.99739	0.6
173.00839	8.7
209.11798	0.7
211.13234	0.7
219.06615	0.8
267.13190	0.5
284.79495	0.4
297.54620	0.6
311.05627	0.5
311.22293	0.5
329.23422	0.9
365.50687	0.5
402.09091	0.6
422.68179	0.5
503.17883	0.6
503.25015	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	503.2498
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52981	2.5
57.31774	2.3
59.01250	100.0
61.98716	3.5
63.60116	2.2
70.99297	6.1
71.01247	25.2
71.50117	2.5
72.99177	3.5
73.02812	7.9
75.00765	5.8
75.06470	2.3
78.95765	6.2
83.01275	2.9
85.02816	14.1
85.05640	2.4
87.00745	4.3
88.90527	2.2
89.02302	10.5
97.18568	2.4
101.02325	13.9
113.02351	15.9
119.03371	4.9
143.04546	4.2
177.03328	4.3
274.99887	4.2
281.17429	2.7
286.69165	2.6
305.18005	2.8
310.84070	2.8
315.07733	3.4
341.23087	3.7
351.16455	4.1
367.19348	3.0
374.28961	8.1
385.20715	5.0
413.08707	4.6
417.24857	3.8
458.46783	2.7
503.24927	4.1
503.32437	18.9
504.31671	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	504.1144
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76271	0.6
54.34501	0.6
59.01245	5.3
64.02459	0.6
65.00188	1.3
71.01246	3.9
71.50367	0.6
71.50782	0.9
71.70684	0.5
73.02794	1.0
75.00719	1.3
78.32154	0.5
79.01746	1.1
81.03333	1.0
83.01251	1.5
85.02813	1.6
87.00721	1.2
89.02320	1.2
93.03320	1.7
95.01261	1.7
97.02817	1.5
98.02364	0.6
99.00745	1.6
101.02305	2.1
101.64263	0.5
105.03307	0.9
107.01254	1.1
107.04874	1.0
108.02057	1.0
109.02824	4.9
111.00753	2.2
113.02349	1.1
117.03325	1.8
119.04850	0.9
121.02837	2.9
122.02310	0.6
123.00770	1.0
123.04387	1.6
125.02328	3.5
127.23703	0.5
129.01810	1.2
132.04437	1.1
133.01874	0.9
133.02855	14.2
134.02299	0.8
134.03564	1.3
135.04367	3.0
137.02350	4.8
139.00276	1.0
139.03891	1.0
141.01802	1.8
145.02750	1.2
147.04362	1.9
148.01648	0.6
149.02333	3.6
151.00252	2.7
151.03918	3.2
152.00999	1.2
153.01810	2.5
159.04395	0.9
161.02348	3.3
161.04558	0.9
162.01834	0.9
163.00253	2.5
163.03905	1.5
164.00946	0.8
165.01834	4.8
165.05490	0.7
166.99792	0.9
167.03406	4.0
171.04329	0.7
173.02257	1.0
175.03891	5.1
176.03474	1.5
177.01857	6.5
177.05467	1.5
178.99767	1.1
179.03448	2.9
181.01244	0.8
181.04868	0.7
182.02118	0.8
183.02895	0.8
185.06046	0.7
186.83791	0.6
187.03816	0.7
189.01810	1.7
191.03383	2.4
192.02974	0.7
193.01334	4.2
195.02870	1.7
199.03897	1.3
201.01872	2.8
201.05547	0.8
202.02657	0.6
203.03400	2.6
204.02931	1.0
205.01445	2.8
205.03087	0.7
206.02158	0.8
206.04459	3.1
207.02888	3.1
213.05533	1.7
215.03433	1.1
217.01418	0.8
217.05011	0.8
219.02921	2.1
221.00829	1.1
222.03893	0.8
223.02406	2.1
225.05678	0.7
227.07072	1.0
229.05063	1.0
231.02896	1.6
233.00786	1.3
233.04501	1.7
235.02348	1.3
237.05693	1.1
239.07170	1.3
241.04977	1.5
243.02853	0.9
243.06493	0.6
249.03999	2.1
253.05016	1.9
255.02939	2.1
255.06586	1.4
256.06171	0.7
257.04465	0.9
261.03955	0.9
264.04962	0.9
265.04971	1.1
266.05640	0.7
267.06641	2.1
269.04379	2.7
270.04807	0.7
273.04074	1.0
279.05322	1.2
281.04443	2.1
282.05347	1.4
283.02982	0.8
283.06070	3.4
284.03165	1.3
285.03973	3.3
293.04575	1.3
295.06177	1.4
297.04031	8.1
298.04831	5.0
299.05539	12.6
300.02866	0.8
301.03482	2.5
301.06711	0.7
309.03967	2.5
310.04694	2.6
311.05591	10.7
312.06198	0.9
313.03479	1.7
313.07083	6.6
315.07535	1.0
323.05417	2.4
324.07196	2.0
325.03467	2.0
325.07098	1.3
326.04199	1.4
326.08701	3.0
327.05020	12.3
328.05728	0.8
329.06580	1.0
337.03345	0.8
338.04260	2.4
339.05035	21.9
341.06439	5.6
342.08347	0.8
343.04474	3.4
351.05002	1.1
353.06537	2.2
355.04538	2.6
356.08063	1.0
357.06143	6.1
366.06210	1.4
367.04483	12.5
369.06104	9.9
371.07541	1.8
371.38358	0.7
379.04584	0.9
381.06271	1.1
384.07166	11.0
385.05542	23.7
387.07104	1.2
396.07227	1.0
397.05606	8.2
409.17609	0.6
414.08224	5.2
415.06613	19.7
427.06720	1.9
430.08737	0.6
445.07776	2.6
446.08682	1.0
447.09177	3.4
463.08823	1.6
469.07745	0.8
477.10220	3.2
486.10474	2.7
487.08835	7.5
504.11520	27.2
504.27802	0.9
505.09857	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	503.2049
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	2.1
59.01262	8.6
61.98695	5.9
71.01256	5.8
71.49958	2.1
71.50361	1.5
72.99192	6.6
75.00739	4.3
76.58327	1.6
83.01255	2.3
85.02822	4.4
87.00765	4.3
99.00747	5.6
107.07021	1.5
111.00768	2.0
112.98704	11.5
113.99454	3.4
115.00272	4.3
135.02892	9.4
142.99763	22.6
156.00542	13.0
173.00845	22.8
174.01605	100.0
175.02380	11.4
185.40842	1.5
191.01898	2.8
237.11378	2.5
293.21185	15.5
294.21591	2.2
305.21228	5.2
319.22784	2.7
331.19095	2.0
345.20654	5.1
349.20181	13.7
363.21838	2.5
367.21460	3.0
368.21872	1.9
387.21704	2.4
389.19595	2.5
407.20679	11.1
449.21863	6.2
459.18250	1.9
467.22885	9.8
468.22742	2.3
503.33890	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	503.205
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	100.0
61.98698	43.4
70.42580	25.9
71.50144	42.3
72.89200	22.5
72.99230	27.1
75.00752	46.3
75.02283	23.5
85.02827	40.3
129.24817	26.1
135.02907	69.0
171.54060	26.5
171.55591	30.5
174.01643	47.7
191.01816	42.7
191.48880	25.9
212.35667	25.4
331.19186	47.4
345.20651	41.6
362.72128	27.9
371.18469	69.4
413.20145	27.3
431.20697	51.5
503.34152	32.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2052
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01239	6.0
61.98690	3.8
71.01241	4.3
72.99184	7.6
75.00736	4.9
79.57061	1.7
85.02834	3.7
87.00747	3.0
89.02292	2.0
99.00743	4.7
107.73884	1.9
111.00779	3.8
112.98676	10.4
113.99485	3.4
115.00235	3.0
117.01811	2.6
129.56226	2.1
135.02898	9.3
142.99762	20.6
143.42503	2.2
156.00558	14.2
173.00816	29.9
174.01608	100.0
175.02391	12.5
237.11284	2.8
293.21271	17.9
298.27628	1.7
305.21289	5.6
307.22562	2.2
319.22937	2.3
345.20673	4.7
349.20175	13.8
363.21661	2.6
367.21130	3.4
389.19891	2.3
407.20721	12.0
410.50928	1.8
438.93335	1.7
449.21692	7.3
467.22833	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	503.1516
Annotation	Unknow
Peak:m/z	Relative Intensity
56.16717	0.2
59.01237	1.2
61.98697	100.0
65.55351	0.2
71.01259	1.1
73.02820	0.3
73.54687	0.2
85.02808	0.4
89.02324	0.3
97.02838	0.2
101.02338	0.4
102.01012	0.2
102.49024	0.2
103.03910	0.3
103.18292	0.2
111.22840	0.2
121.02820	0.4
125.02341	0.3
178.32971	0.2
209.04471	0.2
229.52798	0.2
231.20549	0.2
249.13953	0.2
285.93427	0.2
298.04623	0.2
299.97983	0.2
308.10944	0.2
309.11072	0.4
310.11380	0.3
326.09024	0.2
366.06363	0.2
384.07056	0.5
486.10886	0.4
504.11417	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1714
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	3.5
71.01222	2.2
71.52288	3.0
106.63465	1.7
111.00770	2.9
119.04917	94.2
120.05244	4.4
144.97823	1.9
145.02826	2.3
150.44522	1.6
163.03915	100.0
164.04266	6.7
173.03040	1.8
212.65222	1.9
235.07632	3.1
251.68622	1.6
263.07050	5.1
281.08112	10.7
282.08572	2.0
291.06677	3.2
293.08167	5.7
296.10422	2.2
308.10507	2.5
309.07687	43.1
310.08026	6.4
323.09351	5.9
324.10098	14.3
325.10513	2.1
339.12372	46.6
340.12674	7.1
396.93140	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	502.2654
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01243	1.2
61.98700	100.0
71.42728	0.7
71.43063	0.7
78.95785	1.6
94.71024	0.5
96.95925	0.6
105.21909	0.6
106.67349	0.5
133.43689	0.5
211.19539	0.6
250.07712	0.5
291.19708	1.0
320.37479	0.6
459.31241	0.8
485.32858	1.5
503.34198	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	502.2657
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32586	0.8
59.01239	1.5
61.98698	100.0
67.89084	0.9
69.26907	4.7
69.27338	3.4
78.95783	0.9
98.20513	1.8
98.75835	0.7
110.32745	0.8
198.83266	0.9
211.13322	1.4
291.19846	1.5
342.60904	1.0
384.46960	0.9
441.30133	1.4
459.31049	7.6
483.25302	0.9
485.32678	2.4
502.31012	1.4
503.33789	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	502.2659
Annotation	Unknow
Peak:m/z	Relative Intensity
58.12659	0.6
61.98703	100.0
67.92369	0.6
69.41322	3.8
69.41727	1.5
78.95798	0.8
84.93729	0.6
117.47973	0.7
137.77562	0.6
158.04883	0.7
177.21204	0.6
212.84406	0.6
217.65364	0.6
240.00360	0.6
414.45749	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1407
Annotation	Unknow
Peak:m/z	Relative Intensity
63.89840	1.1
70.59780	1.2
71.49314	1.5
71.49666	1.3
85.02805	1.2
92.12780	1.2
95.05962	1.2
123.00716	1.2
131.67435	1.1
134.03595	1.6
135.04411	100.0
136.04752	4.9
147.89580	1.3
178.34811	1.1
179.03421	74.2
180.03743	4.0
217.34056	1.2
257.84799	1.1
281.13864	1.4
341.08755	39.9
342.09079	3.3
503.14124	3.5
510.17816	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	501.3068
Annotation	Unknow
Peak:m/z	Relative Intensity
56.65453	8.0
59.01251	31.8
68.83755	8.1
70.03147	44.7
71.01258	16.0
73.02818	14.9
78.95779	23.2
82.73455	7.8
90.34139	7.1
118.17924	7.8
152.99458	9.7
253.54449	8.5
279.23254	100.0
293.24731	53.2
293.47089	9.4
321.24152	9.3
325.50302	9.5
389.81763	9.2
463.13052	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	501.2705
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	100.0
61.98698	2.3
62.77627	1.1
65.08605	1.0
71.01244	4.4
71.51501	1.7
79.50535	1.0
85.02819	1.7
89.02297	1.2
91.40692	1.0
96.14866	0.9
101.02313	2.5
112.47927	0.9
113.02258	1.1
118.39401	0.9
161.04468	2.1
174.01663	1.0
192.99409	1.1
381.22800	1.7
399.23895	5.1
400.24268	1.3
445.44049	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2705
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42321	0.4
57.03319	0.8
59.01247	100.0
60.01591	1.0
62.57325	0.5
67.01741	0.7
69.25303	1.1
69.25688	4.3
71.01250	1.7
85.02816	0.5
85.56593	0.5
87.00748	4.2
89.02312	0.7
98.20633	0.9
101.02322	0.9
111.00757	37.8
111.99221	0.5
112.01104	1.3
114.74495	0.4
130.00591	0.5
145.32318	0.4
173.00827	3.3
174.01003	0.5
217.30124	0.5
298.19421	0.5
365.46014	0.5
476.37372	0.6
501.23114	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	501.3073
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44998	0.3
53.99816	0.3
55.01769	1.2
56.87389	0.3
57.03325	1.5
58.00471	4.6
59.01250	100.0
60.01583	1.5
61.98692	1.0
62.30145	0.3
69.22344	3.8
71.01253	68.9
72.01585	1.0
72.99181	7.3
73.02814	2.5
74.02362	0.7
75.00757	0.6
78.95793	0.9
81.03334	0.4
83.01249	2.7
83.04882	0.3
85.02822	11.1
87.00751	5.0
87.04387	1.2
89.02318	81.9
90.02663	1.4
95.01261	4.6
97.02832	1.1
98.20427	1.5
99.00747	1.2
99.05526	0.4
101.02322	39.4
102.02612	0.8
108.08057	0.4
111.00761	0.6
113.02332	27.6
114.02647	0.6
115.00281	0.7
119.03391	34.4
120.03711	0.8
125.02335	1.4
126.30166	0.4
131.03397	4.5
139.11160	0.4
143.03421	6.8
143.04506	1.0
149.04477	3.3
159.02867	0.4
161.03244	0.5
161.04466	7.2
175.02321	1.2
177.03273	1.3
179.05527	15.5
180.05833	0.4
209.11610	0.7
225.70860	0.3
301.93018	0.4
305.17538	0.5
339.25394	2.1
395.72916	0.4
411.06815	0.4
459.29831	0.4
501.24362	0.7
501.31049	6.8
502.30969	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.104
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01746	1.1
57.03325	2.8
58.00452	2.4
59.01247	100.0
59.83362	1.2
61.98690	1.5
67.92200	1.1
70.06735	3.5
71.01250	40.3
72.01579	1.2
72.61903	1.3
72.70178	1.2
72.99192	4.1
73.02821	4.8
75.00714	1.1
76.73006	1.1
78.95796	2.4
81.03313	1.0
83.01276	3.0
83.04845	1.7
84.03697	1.2
85.02826	9.8
87.00770	3.6
87.04408	1.7
88.64509	1.2
89.02314	35.5
89.15354	1.3
95.01272	2.1
96.55038	1.1
97.06480	2.3
99.00774	2.3
101.02320	19.3
113.02313	16.3
115.00214	1.6
119.03402	17.3
125.02393	1.2
131.03389	1.8
133.02829	1.2
142.11205	1.2
143.03398	3.0
143.04549	3.0
149.09560	1.3
151.00333	1.1
159.03008	1.1
161.04433	5.3
161.85410	1.1
175.00305	2.9
175.02394	2.0
177.00870	1.2
177.03337	2.1
179.05562	5.4
191.03433	3.3
201.26595	1.0
267.06607	2.5
277.05078	17.2
295.06094	3.9
297.07654	1.5
306.07739	2.1
311.52286	1.2
325.07092	2.0
339.25287	3.7
355.04578	2.6
357.26428	3.3
390.78177	1.2
415.10336	2.1
445.17599	1.2
454.14883	1.3
500.27869	1.9
501.15085	1.3
501.30850	30.7
502.30661	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	501.1614
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22618	4.6
59.00967	5.7
59.01251	100.0
64.91506	5.2
68.95138	4.4
69.14158	57.0
71.01248	28.5
71.12582	5.5
73.02826	6.6
78.95795	8.6
85.02805	4.7
86.32488	5.5
96.95855	6.7
101.02325	13.4
113.02362	7.9
116.92729	6.8
118.21695	4.6
123.04374	7.7
127.54626	5.5
161.04393	10.4
271.73932	5.3
301.76111	5.1
365.71933	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	501.2707
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55780	1.0
51.68531	1.1
56.81054	1.0
59.01250	100.0
61.40193	1.0
61.98700	1.8
71.01256	4.0
71.51923	1.4
73.02819	2.0
85.02831	1.9
89.02291	1.3
101.02325	4.4
111.00783	1.5
113.02337	2.7
115.00195	1.0
133.61702	1.0
161.04404	2.0
185.03217	1.0
240.61525	1.1
243.99510	0.9
349.45093	1.0
381.22842	1.8
399.23871	7.7
441.24887	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	501.1039
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03328	5.8
59.01253	100.0
60.01573	4.5
61.98715	6.8
71.01258	30.6
71.50607	4.8
72.99172	5.7
73.02820	10.7
78.95789	6.0
83.01278	3.6
85.02824	14.2
87.00761	6.1
88.03909	3.7
89.02322	17.5
96.95879	27.0
96.96844	4.4
97.51820	3.0
99.04427	3.6
101.02321	14.9
111.00827	3.1
113.02335	11.9
117.03362	6.6
119.03423	7.3
128.03503	4.1
135.08046	3.5
137.02274	3.0
141.14456	3.0
143.04529	4.1
156.03221	3.4
161.04492	5.2
175.00298	3.9
175.68953	3.8
181.81442	3.2
201.69423	3.0
251.05222	3.4
283.06113	9.1
293.04535	49.6
311.05585	14.8
337.03494	5.7
341.06583	5.4
353.06619	3.9
367.08130	7.8
397.09323	28.8
415.10165	9.7
457.11411	3.4
500.25247	7.8
501.14795	5.8
501.25342	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	499.2912
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	94.7
61.98693	2.1
66.34705	2.1
69.47234	17.3
71.01250	9.8
73.02825	4.8
81.47668	2.5
82.58024	1.9
85.02825	3.0
89.02323	2.6
99.61075	2.0
99.95759	2.1
101.02319	8.6
109.22980	2.4
113.02318	7.1
164.30988	2.0
270.27640	2.2
273.22311	2.3
277.21716	100.0
278.22131	11.2
291.23172	19.9
292.23560	4.2
301.21857	2.3
319.22668	4.8
481.30145	2.5
499.34552	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	500.1773
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37043	1.4
55.01751	1.4
55.19088	1.5
55.80569	1.3
58.00456	4.7
59.01253	100.0
65.41090	1.5
69.03335	7.4
69.56750	10.7
71.01257	66.7
72.99178	4.1
73.02822	28.4
73.03204	2.2
81.03330	6.0
81.73264	1.5
83.01269	8.2
85.02827	29.6
87.00737	3.6
89.02321	35.5
95.01258	4.9
97.02831	11.2
99.00766	3.2
101.02332	49.8
103.03896	35.9
113.02331	7.0
115.03918	1.7
118.95630	1.5
119.03397	18.9
125.02342	47.7
126.02732	1.8
127.03922	3.6
131.03630	4.2
135.02341	1.5
143.03389	3.2
145.04950	6.0
161.04469	4.7
163.06049	46.6
175.03951	2.8
193.01355	2.1
205.07104	3.5
210.07372	1.5
247.08257	6.4
289.09436	2.1
307.10352	79.2
308.10669	6.7
387.22137	1.7
440.15628	9.3
500.08002	2.1
519.12347	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	499.2678
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65688	0.4
52.06311	0.4
53.57846	0.4
58.74517	0.4
59.01248	66.5
60.01594	1.1
60.55061	0.4
61.98713	1.4
65.26971	0.4
65.70373	0.4
70.98314	1.3
78.95773	9.2
89.87933	0.5
95.24096	0.5
96.96835	0.7
143.17796	0.5
152.99490	10.8
171.00565	2.3
203.24626	0.4
213.46858	0.5
227.03239	1.4
245.04283	6.8
271.22766	100.0
272.23132	10.1
310.28888	0.5
499.26779	28.8
500.27057	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	499.2797
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	32.9
59.39970	0.9
65.69476	0.9
98.17019	1.1
102.20152	1.1
110.72724	0.9
145.57014	1.1
148.74150	1.0
164.87747	1.2
165.12810	5.3
199.13080	1.0
211.13400	5.0
233.11560	100.0
234.11903	7.4
499.17395	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.2549
Annotation	Unknow
Peak:m/z	Relative Intensity
54.23419	2.7
59.01242	9.9
61.98703	7.2
71.01254	10.2
72.99172	8.8
75.00743	9.1
83.01254	4.7
85.02821	5.1
87.00759	7.3
94.83864	2.9
96.95895	3.9
99.00764	9.4
111.00744	6.1
112.98669	15.0
115.00272	6.2
135.02882	10.5
142.99739	18.9
143.49179	2.4
145.01289	3.6
152.99445	3.0
156.00545	8.1
173.00775	15.9
174.01613	100.0
175.02313	11.3
237.11269	5.0
293.21207	55.8
294.21460	5.4
305.21286	3.7
307.22696	2.6
309.20526	3.3
345.20801	5.3
349.20093	6.3
367.21396	3.0
371.22662	3.3
387.22113	3.3
407.20432	3.7
449.21695	5.3
499.09332	3.3
499.21808	3.9
499.32745	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	499.255
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26194	0.4
57.03313	0.7
59.01251	100.0
60.01587	1.0
61.98704	1.0
67.96450	0.4
71.01260	5.7
72.01635	0.4
72.99181	1.2
73.02829	1.6
75.00742	0.5
78.95780	0.4
80.66897	0.4
81.03354	0.9
83.01260	0.6
83.04913	0.5
85.02853	1.2
87.00771	1.2
89.02333	3.3
89.59625	0.4
95.01286	0.5
95.04933	0.5
96.33647	0.4
96.95887	0.7
98.20586	1.1
99.00752	0.4
101.02338	3.4
111.04436	1.0
113.02313	2.8
114.05448	0.4
115.00239	1.0
119.03420	1.6
123.04439	0.9
123.08033	0.5
125.02319	0.4
125.09601	0.5
131.34332	0.4
133.02916	0.6
155.03423	1.4
161.04448	1.0
163.63316	0.5
175.02461	1.3
202.99788	0.6
279.03067	0.5
297.04150	1.2
324.02740	0.6
325.03473	3.1
337.03473	3.5
337.23944	0.7
353.02960	5.6
354.03311	0.5
371.91821	0.5
499.09122	1.5
499.21085	0.9
499.28894	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.2678
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19044	0.5
59.01247	67.8
60.01590	0.9
60.99181	0.7
62.87253	0.5
70.88454	1.4
77.54388	0.6
78.95773	9.9
78.96216	0.8
83.11714	0.6
96.61394	0.5
96.96868	1.1
105.09441	0.5
106.53365	0.6
125.86922	0.6
152.99484	11.5
171.00534	2.8
185.75552	0.5
227.03249	2.2
245.04221	6.2
261.19113	0.6
271.22772	100.0
272.23080	8.4
499.26727	30.3
500.27109	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	499.2549
Annotation	Unknow
Peak:m/z	Relative Intensity
54.93757	2.0
57.03318	3.5
59.01235	13.0
61.98709	6.1
71.01260	11.1
71.50923	3.0
72.99186	12.2
75.00730	15.6
78.95776	2.4
83.01259	4.8
83.04880	2.8
87.00742	5.4
89.02323	2.9
95.04930	3.0
97.02835	3.3
98.36348	2.5
99.00748	8.0
109.06463	2.1
110.71407	2.1
111.00799	4.0
111.07932	2.2
112.98678	18.1
113.99465	7.4
115.00253	8.4
129.01787	2.6
135.02885	14.4
142.99733	16.1
145.01332	6.6
155.10637	3.8
156.00526	8.5
165.12810	3.4
173.00816	18.6
174.01608	100.0
175.02316	11.1
183.13829	2.4
197.11786	10.2
211.13295	3.3
235.13437	3.9
237.11319	7.1
249.11284	2.8
281.60373	2.3
291.19687	10.5
293.21222	74.0
294.21591	6.8
295.08704	2.3
305.21225	7.6
307.22885	3.8
309.20618	18.9
319.22797	3.0
331.19193	4.9
345.20752	8.1
347.18567	3.7
349.20245	17.5
363.21811	3.5
379.13525	2.3
379.17682	11.1
387.21530	2.9
389.19571	4.5
405.22516	2.9
407.20587	8.3
408.20892	2.6
419.20877	2.8
426.66644	2.1
439.20163	3.3
449.21863	6.2
467.22742	4.6
499.08875	3.1
499.29770	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	499.2549
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03310	3.3
57.14780	1.4
59.01261	6.8
63.42973	1.1
67.01767	2.1
69.03320	2.8
70.00584	3.0
70.00983	2.1
71.01260	6.3
72.99171	1.6
73.02822	2.2
75.00761	2.5
78.95797	2.3
81.03349	1.5
83.04889	3.6
85.02834	1.6
86.68780	1.3
87.00749	9.7
95.04900	5.1
96.40102	1.3
98.19943	1.7
98.96413	1.2
99.00761	2.1
107.04905	1.4
108.02058	2.8
109.06496	3.4
111.00717	1.4
112.98715	1.5
119.91640	1.3
123.00748	2.8
123.04441	1.6
123.30199	1.4
127.00279	1.9
127.07542	4.4
129.54109	1.3
135.02922	1.5
137.02367	2.1
142.99760	1.9
145.83527	1.5
146.81876	1.3
152.99493	2.5
154.41690	1.5
155.10684	1.6
165.12746	5.3
174.01613	5.4
175.02406	1.7
177.12799	4.9
183.13860	2.9
193.12393	1.6
195.13873	3.5
203.10669	1.9
205.12334	2.9
207.13817	2.7
211.13376	7.9
213.14906	6.5
215.10860	1.3
221.11775	19.4
223.13358	10.7
231.13908	1.5
233.15501	1.6
235.13342	3.6
237.11168	2.1
237.14920	1.4
239.12863	16.4
241.14453	4.8
247.13411	2.4
249.15018	3.7
253.14563	2.6
259.13504	2.8
262.70575	1.2
277.14392	8.4
277.21725	42.4
278.14722	1.5
278.22092	4.8
279.12378	4.2
287.20114	2.7
293.21280	16.9
294.21643	1.8
295.15436	8.3
305.21143	2.7
313.18219	2.3
317.20804	1.4
331.19144	30.4
332.19611	3.5
333.20639	7.9
345.20624	4.1
347.18698	3.1
349.20172	58.6
350.20419	6.5
353.16354	1.3
375.22049	1.5
403.21198	2.3
405.22839	2.3
407.28021	1.5
421.22305	30.0
422.22803	4.0
425.29114	3.4
449.21994	6.5
463.23315	5.8
465.21844	1.3
481.24374	45.2
482.24658	8.6
499.25522	100.0
499.32352	5.5
500.25742	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	499.2547
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76049	2.3
52.77760	2.8
57.03326	4.3
59.01238	8.0
61.98709	3.2
69.03321	5.7
71.01250	24.7
71.50195	4.2
72.99187	6.5
73.02804	8.1
75.00755	4.2
76.59869	2.4
78.95767	5.0
83.01255	3.3
83.04902	2.6
84.90456	2.5
85.02821	5.3
87.00748	9.9
96.95914	3.4
99.00748	4.8
100.45211	2.4
102.06467	2.7
109.06436	6.5
111.08034	9.9
112.98723	5.0
113.99470	2.7
115.00214	4.5
117.01782	3.1
119.01954	2.7
121.02811	3.2
122.56123	2.7
123.08031	4.4
125.09612	4.9
128.00555	2.8
129.01915	3.2
135.02870	6.2
139.07535	9.5
141.09155	7.1
142.99707	5.6
155.10643	4.7
156.00552	3.1
165.12761	49.7
173.00827	7.2
174.01591	36.0
175.02415	5.4
177.09085	12.3
193.63148	2.8
195.10136	3.3
195.13795	9.5
209.11745	4.6
211.13319	10.8
213.14990	3.7
225.55975	3.2
227.12863	7.1
234.26401	2.4
259.80145	2.9
261.22021	3.0
275.64957	2.5
277.21759	31.0
287.20071	5.0
293.21317	29.9
294.21457	4.6
305.21201	10.7
309.20621	4.8
313.17935	8.2
315.19672	4.4
321.20496	2.9
331.19080	58.1
332.19318	5.6
333.20740	15.1
345.20618	11.2
349.20129	19.1
351.21417	3.1
361.20206	8.7
405.22629	2.6
407.20712	6.0
421.22311	48.5
422.03015	3.0
422.22418	5.9
425.28879	10.4
449.21628	7.0
463.19464	7.8
467.22324	3.7
481.24420	100.0
482.24698	18.6
499.09436	4.9
499.25388	87.2
499.32614	19.3
500.25784	12.7
500.32764	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	499.2547
Annotation	Unknow
Peak:m/z	Relative Intensity
54.45945	1.8
57.03316	2.2
59.01231	5.9
61.98699	7.3
69.76786	1.9
71.01228	5.9
72.99181	30.6
75.00751	25.3
78.95778	2.6
80.96390	6.0
83.01263	3.5
87.00720	3.5
98.19682	3.8
99.00755	7.4
107.66397	2.1
112.98705	14.7
113.99471	3.2
114.05448	2.9
115.00245	5.6
117.86775	2.0
119.90983	1.8
135.02905	15.5
142.99757	27.3
156.00536	6.6
173.00859	24.3
174.01611	100.0
175.02235	8.6
195.13887	2.4
211.13324	4.0
221.12068	2.1
262.57947	2.3
274.16476	2.2
277.21570	3.1
293.21201	21.2
301.79480	2.4
305.21185	5.5
312.07843	2.8
315.19943	2.3
331.19205	3.3
337.03339	3.3
345.20602	7.1
347.18695	6.7
349.20267	12.6
381.22757	12.7
407.20935	3.9
410.15402	1.9
449.21527	11.3
466.97876	2.4
467.22699	3.4
499.21988	9.5
500.22183	3.7
501.98264	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	499.1683
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04827	0.7
54.94563	0.7
59.01241	2.7
61.98695	1.3
62.40010	0.9
71.01250	1.5
71.51049	1.5
73.02787	0.8
80.96368	1.1
80.97987	0.8
85.02813	1.6
101.02363	0.8
108.01928	6.9
122.03497	1.9
126.02941	0.8
133.02856	0.9
135.03023	0.8
149.61307	0.8
150.01723	6.4
150.02988	2.2
151.02518	91.2
152.02841	2.8
165.04152	5.3
193.03604	8.2
197.67751	0.8
219.08818	9.9
228.92622	0.9
247.08334	2.5
263.11484	100.0
264.11780	5.3
267.06647	1.4
283.06818	16.8
284.07239	1.0
291.10989	9.4
295.06165	1.2
325.07645	4.4
380.45242	1.1
395.15604	2.1
415.10440	1.7
499.08572	1.2
499.11835	1.1
499.18857	3.4
500.25089	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.0915
Annotation	Unknow
Peak:m/z	Relative Intensity
58.85501	0.8
59.01247	9.7
61.98688	2.4
71.01261	4.5
71.19298	1.4
73.02807	1.1
74.30997	0.8
79.95618	2.6
80.96388	4.1
85.02825	2.8
89.02328	2.2
93.03345	2.2
93.59586	1.0
94.97989	1.0
96.95830	2.2
101.02329	1.9
106.04145	3.2
107.04913	6.0
108.02005	1.2
113.02328	2.2
114.94104	0.8
119.03375	1.0
121.02856	1.0
123.22539	1.0
131.15259	0.9
133.02841	61.4
134.03191	2.5
171.08173	1.0
179.05586	2.0
211.07559	10.4
212.07851	1.2
213.09135	13.6
225.00491	1.4
239.07079	51.8
240.07278	4.7
245.01019	1.0
257.08154	52.3
258.08511	4.6
301.16730	1.6
319.02789	29.6
320.03183	3.3
337.03845	100.0
338.04160	11.0
379.04050	1.5
419.13437	1.0
472.30737	1.1
499.08533	12.1
499.18347	9.4
499.29364	1.5
500.09488	1.9
500.19186	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	499.0918
Annotation	Unknow
Peak:m/z	Relative Intensity
55.87800	0.3
59.01247	2.1
59.01502	0.4
61.98691	1.0
71.01244	1.6
71.50317	0.5
79.95605	4.0
80.96380	0.5
81.03338	0.5
83.01220	0.4
83.04903	0.4
85.02828	1.0
93.03345	2.5
96.95879	0.5
101.02344	0.4
106.04118	5.5
107.04910	11.5
108.02035	1.4
109.02824	0.6
113.02334	0.5
119.04938	0.4
121.02838	2.0
121.06455	0.5
133.02843	41.5
134.03195	2.0
134.23428	0.4
138.03052	0.6
147.04361	0.5
165.01891	0.4
175.03929	0.6
209.05980	0.4
211.07581	9.1
212.07921	1.0
213.09137	22.3
214.09503	1.4
227.10783	0.6
230.55664	0.3
239.07092	44.1
240.07443	4.0
249.02611	0.4
255.10278	0.6
257.08163	55.0
258.08542	5.0
277.07172	0.4
299.50186	0.3
319.02786	24.2
320.03000	1.9
337.03854	100.0
338.04163	9.7
411.40955	0.4
419.13211	3.0
420.13705	0.4
499.08942	7.7
499.15628	0.5
499.22476	0.7
500.09354	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.0882
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80828	0.2
59.01244	1.4
61.98682	0.7
69.65313	0.6
69.65726	0.9
71.01248	1.4
71.57988	0.2
72.99181	0.2
73.02796	0.7
73.13795	0.3
73.61693	0.2
79.95615	0.3
83.01244	0.5
85.02811	0.6
87.04360	0.3
88.03933	0.4
89.02311	0.2
95.01244	0.4
101.02296	0.6
107.04917	0.3
109.02828	1.8
111.00735	0.3
113.02312	0.3
117.03320	0.5
119.03344	0.3
119.04879	0.6
121.02843	0.3
122.03592	0.4
123.04374	0.5
129.03392	0.3
132.02031	0.4
133.02849	13.6
134.03571	1.0
135.04437	1.5
145.02824	1.1
147.04382	0.5
149.02335	0.5
151.03879	0.5
157.01314	0.3
157.02832	0.4
159.04430	0.4
161.02286	0.7
163.03844	0.4
167.44139	0.2
171.04416	0.3
173.02344	1.7
175.03952	1.2
176.01231	0.3
177.01855	0.4
187.03934	0.9
189.01828	2.0
191.03423	0.5
198.03081	0.3
199.03931	0.7
201.01871	6.6
202.02170	0.3
202.99731	0.3
203.03372	0.3
205.12268	0.6
213.01852	0.9
214.02608	0.5
215.03447	3.5
215.06932	0.5
216.00473	0.7
217.01375	3.4
217.04782	0.6
221.06152	0.2
225.01909	1.6
226.02408	0.2
227.03476	0.3
229.01544	0.3
231.02953	0.6
235.03802	0.3
239.03667	0.2
239.06987	0.4
243.02950	8.5
244.03313	0.5
245.00877	11.7
246.01265	0.9
247.06071	0.7
247.99631	0.3
249.05571	0.5
255.02931	0.5
257.00653	0.3
257.08118	0.5
257.15182	0.3
261.05389	0.4
263.75897	0.3
264.04291	0.4
265.04987	0.8
269.00854	1.1
271.02487	0.4
273.04050	0.8
275.02005	0.5
277.04590	0.4
277.07480	1.2
278.05438	0.3
279.03265	0.3
279.06619	0.8
285.04019	2.6
292.03870	0.4
292.16943	0.4
293.04645	1.7
293.17603	2.8
294.05145	0.5
295.02493	0.3
295.06064	0.5
299.01917	0.8
305.04422	0.7
306.05087	0.5
307.06076	0.5
309.04065	0.4
321.04126	0.6
322.04761	0.8
323.05423	0.7
333.03937	0.5
335.05640	1.2
336.05917	0.3
337.03604	1.8
338.04031	0.3
338.12454	0.3
349.03482	1.6
350.04172	2.7
351.04944	1.9
361.03537	0.7
365.06442	0.7
379.04538	18.5
380.04907	2.2
382.03223	0.7
389.04993	0.2
391.04752	0.5
409.05695	1.0
466.78320	0.2
499.08792	100.0
500.09128	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	499.0883
Annotation	Unknow
Peak:m/z	Relative Intensity
55.93842	0.1
58.73874	0.1
59.00956	0.2
59.01249	3.4
61.98702	0.2
69.38445	0.2
69.38840	0.8
71.01252	0.7
73.02818	0.2
85.02821	0.3
88.78642	0.1
89.02331	0.7
97.06416	0.2
101.02331	0.5
113.02350	0.3
115.01754	0.3
117.03300	0.3
118.10012	0.1
118.63086	0.1
119.03405	0.3
132.02081	0.2
133.02843	6.8
134.03218	0.3
135.00781	0.3
135.08054	0.3
145.02817	0.3
158.27136	0.1
159.00775	1.8
161.04489	0.1
173.02342	0.6
175.02382	0.2
175.03839	0.2
176.01091	0.6
177.01942	0.8
179.98775	0.1
193.06525	0.2
200.01277	0.1
201.01855	8.1
202.02206	0.5
202.99788	17.8
204.00139	0.9
209.05956	0.3
219.04594	0.1
221.05965	0.4
235.03880	0.3
237.05573	0.7
247.03976	0.2
248.04706	0.3
249.05527	0.6
250.02724	0.3
251.03513	1.4
252.03893	0.2
253.04720	0.2
263.03461	0.6
264.04248	0.6
265.02640	0.2
265.05038	1.7
266.02246	0.4
267.02948	0.3
275.03760	0.2
279.02951	1.4
280.03534	0.2
281.04486	0.8
291.02975	0.6
292.03671	0.4
293.04565	1.9
294.01895	0.1
294.05002	0.2
295.02448	1.7
307.02713	0.2
308.03229	4.1
308.06598	0.3
309.03955	1.7
310.04221	0.2
319.02631	0.6
336.02750	5.0
337.03513	100.0
338.03851	11.2
379.04413	0.2
499.08810	21.1
499.33432	0.7
500.09137	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	498.234
Annotation	Unknow
Peak:m/z	Relative Intensity
56.98758	6.5
57.00019	6.2
59.01245	13.6
59.24363	5.9
61.98703	9.1
66.60685	6.0
66.86403	6.7
67.06614	6.0
71.05669	9.1
71.06020	14.6
72.40600	7.2
85.02821	21.3
87.00764	19.9
115.00249	21.9
120.48570	6.6
131.96313	6.3
157.01341	29.6
175.02551	7.1
277.21759	35.6
278.22037	6.8
396.47385	7.2
410.16226	7.7
435.23834	100.0
436.24194	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	499.0882
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23801	0.3
55.36569	0.4
57.03303	0.8
57.80896	0.3
58.00463	0.3
59.01249	17.6
59.63337	0.3
60.01585	0.4
61.98692	1.3
64.57977	0.3
65.00187	0.3
65.69962	0.3
69.49904	0.5
69.50320	1.6
71.01254	7.4
72.01607	0.3
72.99168	0.8
73.02815	1.3
83.01259	0.8
83.04890	0.3
85.02821	2.3
87.00742	0.9
89.02315	5.6
95.01257	0.3
95.04915	0.4
96.76729	0.3
99.00738	0.4
101.02324	4.5
113.02328	2.4
113.05969	0.5
115.00256	0.8
119.03365	2.1
120.05701	0.4
125.09573	0.3
130.06529	0.3
133.02832	6.8
133.70416	0.3
134.03194	0.4
135.08031	1.3
143.03415	0.7
144.89925	0.3
149.04437	0.6
149.09550	0.3
153.28357	0.3
159.00845	1.7
161.04446	0.8
173.02321	0.4
175.02399	1.0
176.01166	0.5
177.01845	0.8
179.05466	0.4
194.74129	0.3
201.00104	0.6
201.01852	7.9
202.02303	0.3
202.99791	18.1
204.00163	1.2
221.05775	0.4
237.05634	0.6
251.03523	1.0
263.03311	0.7
264.04282	0.5
265.05042	1.2
266.02432	0.3
267.02863	0.5
279.03030	2.1
280.03650	0.4
281.04428	1.4
291.03043	0.6
293.04489	1.9
295.02451	1.7
308.03256	6.8
309.03867	1.6
319.02368	0.7
336.02707	6.7
336.06772	0.4
337.03516	100.0
338.03867	11.1
370.26160	0.4
381.18790	0.3
400.57318	0.3
437.98740	0.4
487.58124	0.3
498.27380	1.7
499.08813	35.8
499.27316	2.3
499.33041	1.6
500.09198	5.9
500.28333	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	498.1618
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	2.8
57.03321	2.7
58.00459	4.2
59.01250	100.0
68.01273	2.3
70.27535	7.8
71.01252	69.8
71.90617	2.0
72.99174	6.6
73.02813	8.0
83.01263	5.9
85.02822	13.8
87.00751	6.2
89.02323	48.5
95.01270	4.9
97.02824	4.4
99.00751	4.0
101.02316	48.9
102.02638	1.9
110.02420	1.9
112.01458	1.7
113.02329	41.2
119.03390	23.7
125.02350	4.5
131.03638	25.2
136.74805	1.8
143.03456	9.1
147.04433	4.2
149.04471	2.9
161.04466	22.2
175.04031	1.7
179.05518	7.0
188.05588	4.8
203.05591	2.1
221.06529	6.4
230.06624	12.6
273.72864	1.9
276.09039	2.1
301.32895	1.7
306.07663	2.5
336.10995	3.9
359.13275	2.0
456.15082	30.1
457.15433	5.9
498.16037	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	498.0924
Annotation	Unknow
Peak:m/z	Relative Intensity
56.12808	0.6
59.01249	8.5
65.75267	0.7
70.84953	1.3
70.85326	1.4
71.01255	9.2
71.08097	0.7
72.99181	0.7
73.02818	2.0
75.00748	1.6
77.73640	0.7
79.95602	2.5
80.96391	19.4
85.02814	2.6
85.16476	0.7
87.00739	2.3
89.02321	8.0
95.01279	0.8
95.95098	0.8
96.95892	100.0
97.02827	1.6
97.38859	0.6
101.02324	4.1
106.02874	19.1
113.02319	2.1
122.20941	0.8
128.76016	0.6
131.03407	4.3
149.04442	2.4
152.71001	0.8
154.38474	0.7
175.97968	0.8
176.98561	5.3
185.98602	8.3
188.00136	5.0
191.05539	20.0
203.00185	0.7
246.87157	0.7
321.28189	0.7
477.89948	0.8
498.09244	82.5
499.09604	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	498.1615
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	5.6
57.03328	2.0
58.00465	1.1
59.01249	100.0
61.98698	3.8
62.97879	1.0
68.01295	2.5
69.03345	2.1
71.01252	64.4
72.99174	3.5
73.02821	9.4
81.03336	3.0
81.12728	0.9
81.83895	1.1
83.01257	7.8
85.02821	28.6
85.03296	2.1
87.00729	5.9
89.02315	38.7
93.03336	2.2
95.01270	5.4
97.02834	9.8
99.00751	28.8
101.02322	48.1
102.02668	1.5
108.22379	1.0
109.02865	3.7
110.02377	2.8
113.02329	49.1
116.04968	1.5
119.03385	18.5
121.02851	3.6
125.02331	14.7
127.03929	1.1
129.01892	1.4
131.03630	8.6
135.04391	1.3
137.02357	8.6
143.03400	35.6
147.04405	5.9
149.04355	1.2
155.03392	7.1
158.06073	1.2
159.02928	2.3
161.04457	37.0
162.04868	1.2
167.03397	1.2
179.03468	1.2
179.03999	1.5
179.05525	13.8
185.04430	1.6
188.05585	4.6
189.05452	1.1
203.05537	12.4
205.03490	1.1
213.05469	3.3
221.06610	4.9
227.05626	1.8
230.06638	16.5
231.06586	2.6
245.06673	1.6
256.54898	1.0
273.07666	3.1
276.08777	2.6
287.07883	1.3
294.09674	2.5
305.08911	1.4
308.44022	1.0
323.09805	35.6
324.09952	2.4
336.10776	4.4
365.10867	17.7
366.11176	1.4
424.60019	1.1
456.15131	38.9
457.15381	3.6
498.16180	8.3
498.54712	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.2755
Annotation	Simplexin I
Peak:m/z	Relative Intensity
55.01753	0.8
57.03307	0.7
58.00461	1.1
59.01250	41.2
61.98683	0.8
69.03323	0.9
69.78018	2.5
70.23048	0.5
71.01252	24.4
72.01620	0.5
72.99171	1.2
73.02820	21.9
74.03152	0.6
75.00764	0.6
78.95782	0.6
83.01260	4.9
85.02818	4.0
87.00741	2.7
89.02318	4.9
95.01281	1.1
97.37611	0.4
99.00790	0.9
101.02322	17.9
113.02336	5.2
113.09575	0.6
115.96543	0.4
119.03355	2.0
125.02315	1.0
131.03383	0.6
161.04446	1.4
179.14397	1.0
195.13875	0.6
205.15880	1.0
211.13316	1.0
223.13350	2.3
231.21144	0.6
275.20111	8.3
276.20499	0.7
277.21701	2.2
293.21216	29.4
294.21609	2.6
437.25427	6.3
455.26468	15.1
456.26703	2.1
497.27530	100.0
498.27902	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	497.2886
Annotation	Sodwanone G
Peak:m/z	Relative Intensity
59.32837	1.0
59.62031	1.0
72.36412	1.2
78.95769	21.9
87.48270	1.1
96.96801	1.9
152.99489	34.4
153.99878	1.4
171.00557	1.5
176.46533	1.0
196.95468	1.1
227.03131	3.8
245.04143	1.4
269.24838	100.0
270.25208	10.7
289.14410	2.3
337.95068	1.4
341.34442	1.3
405.24243	1.6
497.28732	54.4
498.29062	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	498.0921
Annotation	Unknow
Peak:m/z	Relative Intensity
57.48063	1.2
59.01252	7.5
61.73177	1.1
70.69971	2.4
70.70294	1.8
71.01252	12.6
73.02833	3.0
79.95607	2.7
80.96383	22.3
85.02782	2.2
86.55600	1.4
87.00754	2.4
89.02312	10.1
96.95886	100.0
97.02845	1.8
101.02309	4.9
106.02864	20.4
113.02318	3.6
123.32291	1.2
125.05769	1.3
126.29038	1.3
131.03381	6.9
149.04387	2.2
173.74135	1.2
176.98528	8.7
185.97069	1.5
185.98581	7.7
188.00150	4.2
191.05537	21.5
398.22498	1.3
410.96710	1.4
412.95065	1.5
498.09186	53.9
499.09381	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	498.0919
Annotation	Unknow
Peak:m/z	Relative Intensity
54.59478	0.2
56.16280	0.2
58.00457	0.5
59.01243	7.2
69.73110	0.5
69.73528	0.7
71.01248	8.3
72.99171	0.3
73.02805	2.3
75.00742	0.9
79.95595	1.9
80.96384	17.0
83.01255	0.7
85.02825	2.2
85.95001	0.2
85.99969	0.3
87.00759	1.3
89.02309	8.1
89.35460	0.2
90.02641	0.3
95.01265	0.4
95.95103	0.8
96.95882	77.0
97.02821	1.3
98.20603	0.3
101.02320	3.6
106.02861	15.2
107.03188	0.8
108.79401	0.2
111.00705	0.2
113.02329	2.5
119.03358	0.4
131.03386	4.5
149.04439	2.7
176.98534	5.4
181.01959	0.3
185.98590	7.4
186.44308	0.2
186.98889	0.4
188.00150	4.9
188.01778	0.4
188.37852	0.2
191.05527	16.5
192.05881	0.7
297.51569	0.2
319.06870	0.2
367.37003	0.2
367.41690	0.3
498.09183	100.0
499.09518	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	497.1664
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	100.0
60.01583	1.0
61.98698	0.6
62.44603	0.3
70.99000	0.4
70.99335	0.4
71.01257	1.1
73.02814	0.9
76.99592	0.3
83.01310	0.4
87.00755	0.3
89.02336	0.4
101.02335	1.6
113.02351	0.5
119.03392	0.8
126.87354	0.3
134.03636	1.0
149.05986	0.3
187.98100	0.3
201.08197	0.3
222.37836	0.3
222.76961	0.3
237.05504	0.4
238.44946	0.3
275.09363	0.9
281.04779	0.4
281.08304	0.5
283.06171	0.3
287.09381	0.5
288.10159	0.3
293.37500	0.3
296.06885	0.3
299.09369	0.3
311.09494	0.5
317.10483	0.5
366.71112	0.3
374.08005	0.5
389.10355	1.3
392.64148	0.4
401.10397	0.9
404.12906	0.9
416.12762	0.4
419.14951	2.4
420.15454	0.3
431.15042	0.8
467.17126	0.4
479.17490	0.8
516.68652	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.216
Annotation	Angeloylisogomisin O
Peak:m/z	Relative Intensity
50.50516	11.6
51.24601	15.4
57.60815	12.2
59.01240	56.2
61.98689	29.6
69.40550	44.7
69.40977	58.1
71.01250	25.0
223.31284	14.7
259.37988	14.4
461.23856	17.0
497.21185	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	497.2521
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03308	1.2
59.01247	11.6
61.98697	1.8
69.19099	0.8
71.04898	7.0
71.51084	1.7
72.77581	0.8
72.99194	4.7
78.95766	8.1
83.04883	1.2
110.74185	0.9
128.87018	1.0
152.99472	9.2
171.00519	1.8
181.37854	0.9
194.73880	1.0
195.17464	1.3
197.19064	14.4
223.20616	5.8
225.22198	19.7
225.24255	1.7
226.22772	0.9
227.03224	2.1
237.72235	0.9
245.04236	1.5
251.20134	3.5
269.21210	100.0
270.21518	9.6
349.27408	1.4
361.27319	1.7
423.27496	4.6
497.25165	21.4
497.31430	6.7
498.25421	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	497.0936
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03334	7.0
59.01244	31.1
61.76537	4.7
65.00201	5.4
66.62844	5.0
69.03323	19.3
69.32202	50.5
71.01256	16.7
73.02805	4.7
75.00744	9.7
81.03326	21.6
83.01276	23.3
83.04958	5.6
85.02834	20.5
87.00773	5.7
89.02313	6.4
93.03346	18.2
95.01262	17.4
95.04918	12.3
97.02835	54.6
97.79388	5.1
99.00759	50.3
99.04405	9.5
101.02317	14.3
107.01289	11.1
107.04883	7.8
108.02010	9.5
109.02836	64.9
111.00753	41.6
111.04375	9.2
113.02318	14.9
119.04924	5.8
121.02831	25.1
123.00775	20.2
123.04409	21.3
124.01575	7.7
125.02338	88.6
127.11154	6.9
133.02831	23.3
135.00790	7.7
135.04408	83.9
136.04845	5.3
137.02332	66.9
139.00272	23.4
139.03889	23.6
140.00935	5.4
141.01848	32.8
145.02760	8.3
147.04466	9.4
148.01511	11.2
149.02336	48.5
150.02834	9.2
151.00301	27.7
151.03880	17.3
152.01051	6.8
153.01825	67.6
155.03397	8.3
161.02373	29.2
163.00270	27.1
163.03918	11.7
164.00986	8.9
165.01849	56.7
166.02545	15.5
167.03401	83.5
168.00456	7.2
169.01331	12.4
176.01003	8.1
176.08379	5.5
177.01881	35.2
177.09132	18.1
178.99789	15.9
179.03406	73.2
181.01324	31.2
183.02907	52.1
189.01855	20.8
190.02771	6.2
190.99706	27.3
191.03409	17.5
192.00453	6.2
193.01350	71.1
194.01935	7.5
195.02892	22.5
197.04445	12.6
201.01880	6.6
201.11203	30.6
203.03375	14.0
205.01299	31.3
205.05191	6.2
206.02051	10.3
207.02928	27.6
207.99947	9.3
209.00880	59.6
211.02370	19.9
211.07669	5.5
213.03929	9.1
215.03558	6.9
217.01344	12.2
217.04938	8.1
219.02950	20.4
221.00903	30.6
222.01462	5.8
223.02385	34.8
225.03900	6.2
231.02950	14.9
235.02446	93.1
236.02654	6.7
239.01997	15.0
241.03471	22.9
245.04541	15.7
249.03973	10.0
251.01877	29.9
253.03441	12.5
257.04428	15.3
259.02484	10.4
259.06195	8.6
261.06198	18.2
265.03531	5.2
267.01425	32.3
271.02325	8.1
271.05963	7.3
273.03986	8.2
273.14929	7.2
285.03778	13.0
287.05396	33.1
287.08203	5.5
288.06100	8.1
291.15952	22.4
298.04807	11.0
299.05331	12.8
301.05786	11.0
303.07291	41.2
313.03333	29.7
314.03839	7.7
315.05209	17.9
316.02032	7.0
317.03201	8.1
327.05124	15.5
331.04663	16.8
335.02289	6.1
335.07669	33.7
335.11581	7.0
341.02835	11.0
343.04559	11.5
357.06168	7.3
359.03860	51.1
360.04538	8.8
361.07483	22.3
371.06186	15.9
377.05035	83.4
378.05652	18.1
389.04895	15.4
407.06110	9.5
433.07901	12.6
435.09155	12.7
446.08450	15.3
447.09183	13.6
451.08603	14.8
461.07150	9.3
463.08865	10.8
464.09698	6.0
478.58258	5.5
479.08243	58.3
480.08667	12.8
497.08914	100.0
497.21716	42.1
498.10086	21.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.1285
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01258	0.7
71.01251	1.1
71.31506	0.7
85.01053	2.5
85.02821	0.5
107.04935	1.3
113.00555	100.0
114.00945	2.8
120.01147	2.0
137.64384	0.4
151.03906	0.9
176.07092	61.5
177.07448	3.9
218.67761	0.5
338.09125	0.5
338.12442	31.6
339.12628	2.9
382.11581	2.3
416.10187	36.2
417.10474	4.2
444.81012	0.5
496.12735	1.5
497.13135	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.1757
Annotation	Unknow
Peak:m/z	Relative Intensity
55.95905	1.0
57.97415	1.2
58.02848	5.9
59.01252	7.0
61.98703	5.3
67.16053	1.0
67.28165	0.9
70.02847	7.9
70.84377	1.9
71.01257	4.9
72.00795	1.4
72.04427	6.7
72.99199	1.4
74.02347	20.7
80.96372	1.5
84.04414	1.7
85.02820	2.7
86.02350	4.2
87.00749	2.2
96.99783	3.4
97.03962	1.9
98.02343	1.7
99.00752	1.2
99.05529	13.1
100.81651	1.3
101.02290	2.4
102.98460	3.2
109.02832	1.5
110.00602	1.3
111.01398	1.1
112.03947	2.1
113.99483	1.2
115.00231	4.2
123.01379	2.7
123.05503	2.1
125.02795	1.6
125.03487	3.2
135.02892	1.4
138.03764	1.1
141.06602	43.3
142.06934	2.4
143.04532	13.8
153.01862	1.6
156.95840	1.0
167.04550	1.4
175.02426	8.8
185.05608	24.7
194.10043	2.2
206.11734	1.5
209.11710	1.7
222.09622	5.0
222.13062	1.8
240.10597	15.1
248.11061	1.4
249.14296	1.5
252.10637	1.3
264.14145	1.8
266.12134	7.2
290.12140	1.5
298.55881	1.1
299.05469	1.1
308.13239	13.7
309.13553	1.8
326.14288	7.7
327.04861	1.3
328.05237	1.2
329.05661	2.9
352.12283	1.2
408.19446	1.3
409.14331	2.6
433.10358	3.4
434.17548	4.2
452.18661	7.0
478.16559	4.1
496.17590	100.0
497.17923	16.3
497.26553	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	497.0934
Annotation	Unknow
Peak:m/z	Relative Intensity
57.42597	13.1
59.01246	35.1
61.98689	45.2
67.22990	12.1
68.99677	13.2
71.01238	42.8
71.50405	22.4
71.51052	13.9
72.99176	15.7
75.00727	17.8
81.03325	24.4
81.35760	13.7
83.01234	30.3
85.02807	37.4
87.00715	17.5
93.03342	48.5
95.01265	14.1
97.02806	40.2
101.02318	28.6
105.26770	13.2
107.01245	13.3
107.69136	15.3
109.02811	47.6
111.00753	62.4
113.02332	18.1
117.03329	18.1
118.68639	12.8
121.02840	43.2
123.00745	29.9
123.04404	33.7
124.01497	20.3
125.02332	96.4
127.00235	23.8
133.02846	24.6
135.02925	16.6
135.04399	36.4
137.02322	60.5
139.00256	39.3
139.03835	23.6
140.01123	13.3
141.01872	33.7
149.02304	49.1
151.00238	34.4
151.03908	17.6
152.01041	25.2
153.01855	100.0
154.19052	12.4
161.02299	19.3
163.00285	24.7
165.01849	80.0
166.02615	22.8
167.03375	53.7
169.01297	20.5
177.01872	25.3
178.99780	52.0
179.03438	42.1
181.01288	73.2
183.02927	43.3
191.40709	15.0
193.01332	64.7
203.03459	22.2
204.09013	13.1
205.01248	19.5
207.02832	34.5
209.00816	53.7
211.02409	18.0
215.03496	19.4
219.02844	26.7
221.00909	23.7
223.02419	19.4
235.02272	24.4
251.01886	27.2
257.04489	14.6
264.47226	13.5
269.04581	17.7
285.03979	27.0
297.04114	15.2
298.04626	21.1
317.27145	15.6
359.03799	17.0
361.50992	13.6
377.04752	19.7
446.08420	14.6
447.09402	25.9
451.08820	34.5
463.08823	36.8
479.08356	22.9
480.09332	17.5
496.31439	16.7
497.09195	86.9
497.25671	45.3
498.09683	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	496.128
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99719	0.7
59.01250	0.9
71.01271	1.1
71.09624	1.8
85.01035	3.2
101.02328	0.9
107.04888	1.2
113.00549	100.0
114.00878	2.4
120.01160	2.1
121.02869	1.1
151.03868	0.7
151.50003	0.9
176.07072	57.5
177.07404	3.2
193.01230	0.9
193.39185	0.8
217.16702	0.7
320.11081	0.8
338.12430	30.9
339.12833	3.1
382.11417	3.0
396.82770	0.7
416.10190	32.1
417.10602	4.4
417.15588	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2964
Annotation	Turkesterone
Peak:m/z	Relative Intensity
52.37083	3.1
57.03319	5.4
59.01241	16.6
61.93458	3.5
61.98695	7.2
69.03340	3.4
71.50346	3.3
74.02347	2.9
78.53043	3.3
78.95767	7.4
79.14394	3.5
83.04905	6.8
87.00712	4.7
88.58395	3.5
95.04913	4.2
96.95907	3.8
97.06478	5.8
98.97764	3.0
99.00751	3.8
111.08012	4.9
119.82079	2.9
121.07790	2.9
123.08046	3.9
125.09599	22.5
139.88536	3.1
151.15501	3.5
152.99406	7.4
171.10168	34.1
185.11720	12.8
187.14803	4.2
189.16368	4.2
205.15932	7.4
207.13811	15.6
209.11736	10.5
211.13364	21.7
215.14374	12.8
218.98402	3.2
231.13766	3.9
233.15402	99.0
234.15814	6.4
235.13307	7.1
249.14891	18.6
251.16357	6.2
331.26349	4.9
375.25409	4.6
385.23630	29.4
393.26340	3.5
403.24881	87.2
404.25168	8.8
407.26529	4.1
421.25879	74.3
422.26505	7.3
477.28564	91.1
478.28970	13.0
495.29422	100.0
496.29697	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	495.296
Annotation	Turkesterone
Peak:m/z	Relative Intensity
57.03304	4.3
58.21500	1.6
59.01249	14.1
61.98684	3.3
69.03313	2.3
71.01254	4.1
71.04902	2.8
78.95764	4.4
81.03327	2.0
83.04874	10.7
85.06459	3.3
91.03897	2.4
93.03290	1.7
95.04868	2.2
96.95909	2.9
97.06457	6.6
99.20073	1.6
105.06908	1.9
109.06480	2.0
110.70938	1.5
111.08053	6.0
119.04892	1.7
119.08570	1.9
123.08067	3.9
125.09603	22.0
135.08047	1.8
137.09639	2.0
145.06435	2.0
152.99461	5.3
163.11221	2.3
171.10159	34.8
172.10532	2.6
174.13712	1.7
182.81886	1.4
183.13818	2.2
185.11823	3.4
187.14810	2.4
189.12886	2.1
189.16420	3.8
203.10576	1.7
205.15895	8.2
207.13892	5.6
209.11743	5.3
211.13310	21.5
213.14818	2.6
215.14412	7.3
221.15468	4.7
229.37746	1.7
231.13867	6.9
233.15414	91.5
234.15819	6.1
235.13319	3.6
239.16489	1.9
249.14902	27.4
251.16498	4.5
257.17529	3.7
313.25183	2.1
323.23825	2.0
331.26416	6.3
341.24832	9.8
357.24234	2.6
359.25909	3.2
367.22720	5.5
375.25378	3.8
385.23822	30.8
386.24081	3.5
393.26352	4.0
403.24854	76.6
404.25162	10.2
407.26111	3.3
421.25943	60.3
422.26187	7.6
463.13931	1.6
477.28528	95.7
478.28937	15.4
495.29599	100.0
496.29932	16.5
520.71875	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2602
Annotation	Melissoidesin D
Peak:m/z	Relative Intensity
57.03326	1.1
58.00473	1.3
59.01249	100.0
60.01586	1.5
61.98704	1.7
69.03329	0.9
69.15318	0.7
69.15723	4.4
71.01252	30.1
72.99170	1.9
73.02817	16.4
75.00739	1.0
76.54955	0.5
78.95785	1.8
80.08551	0.4
83.01258	6.1
85.02825	6.9
87.00758	3.1
89.02319	10.8
93.45539	0.5
95.01253	1.8
97.31296	0.4
99.00747	1.2
101.02319	20.0
102.02674	0.5
106.17113	0.4
113.02326	13.0
113.60658	0.5
114.02644	0.6
119.03388	4.2
124.77493	0.5
125.02367	1.1
125.05965	0.7
131.03386	1.2
135.02872	1.0
136.05148	1.7
137.20677	0.5
143.03387	2.2
149.04395	0.9
149.05992	1.4
150.06703	0.5
151.07538	7.7
152.08334	9.6
152.99457	2.0
161.04477	4.6
165.09129	1.4
166.06329	0.4
179.05482	2.0
179.06949	0.8
203.10760	3.2
217.12328	2.6
217.14171	0.5
218.12970	1.5
227.18100	0.7
227.48360	0.5
255.17383	0.7
273.18619	4.2
274.19110	0.7
291.19659	4.9
292.19919	1.0
333.20557	1.0
333.26132	0.6
417.22449	1.6
435.23840	22.7
436.24014	3.7
438.22308	0.8
453.24915	20.2
454.25284	2.7
495.25830	22.5
496.26352	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.26
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01237	0.8
61.98684	1.4
71.01276	0.7
71.08027	1.3
72.43260	0.5
72.99172	2.2
83.01271	1.9
85.02818	0.6
93.87649	0.5
99.00762	4.8
100.01585	0.7
106.34351	0.6
111.00764	2.3
113.99472	10.0
128.00986	1.0
156.00548	16.3
156.01819	0.9
174.01616	100.0
175.01985	4.6
185.11566	0.7
209.11800	1.0
211.13411	1.1
293.17429	0.6
321.24347	0.9
333.24243	1.0
335.26245	0.9
377.23209	1.4
379.24960	1.3
395.24368	7.7
396.24673	1.6
433.26041	1.1
435.23874	8.7
436.24243	1.0
459.23444	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2599
Annotation	Unknow
Peak:m/z	Relative Intensity
55.07218	0.9
58.00459	1.0
59.01243	1.4
61.98692	1.4
62.11729	0.9
68.16738	1.1
71.01231	1.7
71.43241	1.7
72.99171	10.9
78.95751	1.3
83.01253	1.9
85.99942	1.6
99.00750	11.2
99.08025	1.3
111.00760	3.8
113.99473	28.3
128.01041	2.4
139.11119	2.4
152.99486	1.3
156.00554	41.9
174.01611	100.0
175.02022	3.2
193.12387	1.1
223.17589	1.0
303.23260	2.0
321.24280	4.4
333.24380	5.5
335.25812	2.3
349.23682	2.7
363.25189	2.6
377.23077	5.2
391.24741	1.5
391.73615	1.1
395.24368	40.4
396.24799	7.1
433.26196	1.5
435.23874	23.4
436.24130	3.2
478.91998	1.0
519.56396	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	495.2449
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03328	3.8
58.81174	0.7
59.01249	100.0
60.01578	0.9
61.98696	3.9
63.27354	0.7
63.72644	0.7
63.76079	0.7
66.60329	0.7
69.22845	8.0
71.01250	7.2
71.04861	0.7
72.99180	0.9
73.02814	7.3
78.95790	1.2
83.01309	0.8
85.02827	3.9
87.00789	1.3
87.04408	1.2
89.02322	3.0
93.00362	0.7
94.65773	0.8
96.78666	0.8
97.02841	1.1
99.00765	1.5
101.02316	4.3
103.03890	50.5
104.04250	1.3
113.02331	1.9
115.00266	1.0
119.03353	0.8
121.70011	0.7
125.02339	0.9
125.09634	0.9
129.54568	0.8
135.04482	0.9
152.99507	1.3
161.04475	1.3
165.12773	1.2
171.10211	2.0
175.02458	1.9
183.13795	4.1
197.11711	7.3
199.09659	0.9
199.13431	1.2
201.07437	2.0
215.12830	17.4
227.13055	0.8
249.98444	0.7
253.09317	2.3
298.04385	4.0
346.12131	1.1
414.09119	3.4
445.37112	0.9
463.21823	1.0
495.20950	1.2
495.25729	1.4
495.31625	3.5
496.20636	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	495.2449
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03328	3.8
58.81174	0.7
59.01249	100.0
60.01578	0.9
61.98696	3.9
63.27354	0.7
63.72644	0.7
63.76079	0.7
66.60329	0.7
69.22845	8.0
71.01250	7.2
71.04861	0.7
72.99180	0.9
73.02814	7.3
78.95790	1.2
83.01309	0.8
85.02827	3.9
87.00789	1.3
87.04408	1.2
89.02322	3.0
93.00362	0.7
94.65773	0.8
96.78666	0.8
97.02841	1.1
99.00765	1.5
101.02316	4.3
103.03890	50.5
104.04250	1.3
113.02331	1.9
115.00266	1.0
119.03353	0.8
121.70011	0.7
125.02339	0.9
125.09634	0.9
129.54568	0.8
135.04482	0.9
152.99507	1.3
161.04475	1.3
165.12773	1.2
171.10211	2.0
175.02458	1.9
183.13795	4.1
197.11711	7.3
199.09659	0.9
199.13431	1.2
201.07437	2.0
215.12830	17.4
227.13055	0.8
249.98444	0.7
253.09317	2.3
298.04385	4.0
346.12131	1.1
414.09119	3.4
445.37112	0.9
463.21823	1.0
495.20950	1.2
495.25729	1.4
495.31625	3.5
496.20636	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	495.2447
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03310	1.1
58.00465	1.0
59.01249	22.1
69.77998	3.4
69.78402	1.3
71.01257	14.0
72.99184	3.1
73.02822	12.5
75.00753	1.5
78.95756	2.3
83.01259	1.6
85.02811	5.0
87.00765	5.3
87.04388	1.8
89.02312	2.2
99.00709	1.6
101.02314	11.7
103.03888	3.5
113.02306	2.6
115.03881	3.0
119.03346	1.6
131.03401	6.4
141.11766	1.7
141.12750	21.8
142.13084	1.4
143.03391	7.1
145.04948	2.0
152.99493	2.3
154.41763	0.9
163.05963	2.5
169.12282	2.3
170.48427	0.8
171.13774	1.0
183.13870	1.3
187.13312	39.0
188.13646	2.4
200.97098	0.8
205.07108	7.0
240.54774	1.0
344.43616	1.0
495.24448	100.0
496.24881	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	494.2157
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01237	2.1
61.25636	1.7
61.98685	5.7
71.50126	3.1
78.95767	43.6
80.70168	2.0
93.17150	2.0
96.96834	4.2
138.75131	1.9
147.47305	2.9
152.99477	100.0
171.00522	5.0
234.22217	1.9
339.79883	2.1
411.18182	2.3
431.22000	21.0
432.22238	2.7
470.96671	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.0779
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65474	9.7
59.01226	13.2
61.45613	10.2
65.00179	9.2
67.38654	9.4
69.75789	38.4
69.76192	19.9
71.01220	16.9
73.41953	9.0
81.03326	17.2
83.01246	20.6
88.75700	8.6
93.03311	19.8
95.01254	13.0
97.02829	19.9
98.19918	13.4
99.00741	12.8
101.02348	10.4
107.01254	28.5
107.04917	10.3
109.02823	35.7
111.00758	34.1
113.02277	10.2
116.68498	8.5
121.02822	37.1
123.00739	25.1
123.04422	18.8
125.02335	76.1
129.79587	8.2
133.02823	78.6
135.04398	11.3
137.02312	39.4
139.00201	10.5
139.03853	18.8
141.01807	25.0
149.02324	41.4
151.00285	54.4
151.03893	19.2
153.01862	68.1
161.02304	20.4
163.00278	31.9
164.00998	10.3
165.01860	67.0
166.02594	18.6
166.99628	11.0
167.03444	50.5
169.01265	26.4
175.03877	15.7
176.01024	10.0
177.01823	72.3
178.98239	11.2
178.99767	36.6
179.03397	33.4
181.01279	56.8
183.02904	15.9
187.03928	16.9
189.01768	18.0
190.99748	39.1
191.03441	13.3
193.01405	75.6
193.05080	9.8
195.02875	18.6
197.04404	28.8
202.99692	10.0
203.03339	11.8
205.01346	55.7
206.01831	12.1
206.99306	63.5
207.02843	10.8
209.00748	13.5
215.03445	9.5
217.01323	14.2
219.02898	11.9
221.00932	48.0
223.02409	38.6
227.05629	11.1
231.03006	13.4
233.00810	21.4
235.02435	20.5
245.04530	13.3
249.00366	25.1
251.01831	17.3
257.04431	11.9
259.02490	12.9
271.02338	11.6
273.04013	11.4
285.03970	24.5
289.03445	13.4
301.03436	29.5
303.04871	17.2
313.03299	22.6
317.08780	28.3
327.04977	27.5
329.02808	11.7
331.04431	28.6
332.01782	11.1
333.06128	14.0
341.05057	16.0
343.04449	26.5
347.03735	14.6
357.02411	28.8
357.06290	20.8
369.04727	17.2
375.03348	61.9
375.07504	14.4
387.03699	12.3
405.04343	14.3
421.07599	12.3
423.09558	13.7
449.07303	17.5
451.09036	13.0
477.06036	18.1
478.07486	14.4
495.07370	100.0
496.08307	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	494.1932
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03304	1.3
59.01245	35.4
60.01591	1.4
61.98690	1.7
64.27561	1.0
69.03387	1.0
71.01256	10.0
71.50084	2.1
73.02805	7.3
74.14896	1.2
78.95770	1.7
83.01259	3.0
83.47031	1.0
85.02816	3.3
87.00751	1.1
89.02324	2.4
95.04910	1.1
96.96827	1.0
97.22644	1.3
99.00746	2.1
99.56908	1.0
101.02313	8.6
113.02325	4.9
119.03385	1.6
122.06004	2.5
136.07556	1.3
150.05544	1.5
150.06691	1.3
158.11101	1.2
161.04559	1.3
165.09087	1.3
203.10695	3.3
215.11861	3.3
217.09724	3.1
226.14633	1.0
239.11868	1.6
251.08156	3.4
254.10616	5.7
267.08707	1.4
267.11386	12.1
268.11780	1.3
273.18619	1.6
282.10046	5.7
291.19745	2.4
295.10956	2.7
311.10556	3.3
316.14313	2.3
330.12360	3.2
330.16104	1.8
331.09705	1.5
344.14020	4.1
346.12027	3.0
346.19409	2.1
347.12787	2.2
350.18826	2.3
358.15747	1.2
359.16168	1.5
360.13571	3.2
361.14429	1.4
362.15143	2.2
374.18875	5.8
376.16614	4.4
388.12814	2.5
390.18427	3.9
400.16663	2.1
402.14621	3.1
403.15320	1.9
416.16183	5.5
418.17697	100.0
419.17981	15.2
435.23889	7.5
444.15363	5.5
453.24905	9.3
462.16669	86.8
463.17105	12.8
494.20016	18.6
494.30313	4.2
495.19894	2.8
495.26166	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	494.1517
Annotation	Unknow
Peak:m/z	Relative Intensity
55.55697	0.7
58.27315	0.8
59.01258	1.6
61.98705	100.0
63.11818	0.8
69.44302	5.7
71.01281	1.2
101.02267	1.0
153.11108	1.0
306.39313	0.9
407.13269	0.9
415.65860	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.0938
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	9.1
61.98702	15.5
71.01245	2.6
72.57256	0.6
73.02804	0.8
75.00724	0.9
75.92413	0.6
83.01251	0.8
85.02838	0.8
87.00771	0.7
98.20641	1.3
101.02329	2.2
102.98488	2.8
109.02840	2.3
113.02316	1.1
115.00241	0.9
121.02831	1.1
125.02320	1.1
133.02820	10.0
133.03703	0.9
135.04405	1.6
147.04376	1.2
149.02333	1.2
157.01292	0.8
161.02422	1.5
163.00244	1.7
163.03931	3.2
165.01891	1.4
175.02383	1.9
175.03937	3.6
177.01666	0.7
191.03360	1.4
193.01328	2.3
199.03957	1.2
201.01910	1.4
203.03433	0.9
208.13214	0.7
211.03818	0.8
213.05487	0.9
239.06921	0.8
240.04138	1.0
241.05009	0.8
253.05095	0.7
257.04449	0.7
269.04532	1.2
283.04816	1.6
284.03186	8.3
285.03995	9.0
286.04016	0.9
297.04013	13.3
298.04758	11.7
299.05591	18.9
300.06070	1.2
311.05634	2.4
327.05084	75.6
328.05521	6.4
339.05289	3.7
339.08658	0.8
341.06577	1.2
357.06140	20.3
358.06540	2.4
369.06195	2.2
377.06985	1.0
431.09818	100.0
432.10162	12.7
433.28040	1.2
493.23514	0.8
493.30157	2.5
495.19946	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	494.0938
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	9.1
61.98702	15.5
71.01245	2.6
72.57256	0.6
73.02804	0.8
75.00724	0.9
75.92413	0.6
83.01251	0.8
85.02838	0.8
87.00771	0.7
98.20641	1.3
101.02329	2.2
102.98488	2.8
109.02840	2.3
113.02316	1.1
115.00241	0.9
121.02831	1.1
125.02320	1.1
133.02820	10.0
133.03703	0.9
135.04405	1.6
147.04376	1.2
149.02333	1.2
157.01292	0.8
161.02422	1.5
163.00244	1.7
163.03931	3.2
165.01891	1.4
175.02383	1.9
175.03937	3.6
177.01666	0.7
191.03360	1.4
193.01328	2.3
199.03957	1.2
201.01910	1.4
203.03433	0.9
208.13214	0.7
211.03818	0.8
213.05487	0.9
239.06921	0.8
240.04138	1.0
241.05009	0.8
253.05095	0.7
257.04449	0.7
269.04532	1.2
283.04816	1.6
284.03186	8.3
285.03995	9.0
286.04016	0.9
297.04013	13.3
298.04758	11.7
299.05591	18.9
300.06070	1.2
311.05634	2.4
327.05084	75.6
328.05521	6.4
339.05289	3.7
339.08658	0.8
341.06577	1.2
357.06140	20.3
358.06540	2.4
369.06195	2.2
377.06985	1.0
431.09818	100.0
432.10162	12.7
433.28040	1.2
493.23514	0.8
493.30157	2.5
495.19946	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	494.0941
Annotation	Unknow
Peak:m/z	Relative Intensity
55.78020	0.6
59.01249	17.9
61.98701	19.5
65.34031	0.6
67.48357	0.6
71.01249	4.0
71.50500	1.0
72.79235	0.5
73.02818	5.2
73.86432	0.6
74.50338	0.6
78.95759	1.1
83.01270	1.1
85.02828	2.5
87.00752	0.8
89.02290	1.1
101.02319	3.5
106.62817	0.6
107.94135	0.6
108.40855	0.6
109.02831	2.2
113.02357	1.0
119.04920	0.6
121.02865	1.6
123.05695	0.8
125.02341	1.3
133.02846	9.7
135.04402	1.4
147.04405	1.3
149.02361	1.6
152.99570	0.7
161.02379	1.5
161.04483	1.3
163.00310	1.5
163.03951	2.5
165.01814	1.5
171.91745	0.6
173.02461	0.6
175.03918	3.7
175.99121	0.7
177.01814	0.8
191.03458	1.5
193.01395	1.0
199.03961	1.5
201.01826	1.3
211.82950	0.6
213.05515	1.1
225.05644	0.7
227.03479	1.1
241.05074	0.8
253.05194	1.3
255.02777	0.9
255.06480	0.7
269.04504	1.5
271.06192	0.7
284.03217	7.5
285.04050	9.6
297.04028	21.6
298.04712	10.0
299.05573	16.7
300.06067	1.4
309.04108	1.4
311.05609	9.9
312.06061	1.0
313.03409	1.0
318.94971	0.8
325.03458	1.8
327.05084	69.3
328.05380	7.3
331.24841	3.3
339.05014	4.4
343.04660	4.7
357.06128	22.3
358.06314	2.5
369.05835	1.5
377.06750	1.1
395.07697	1.5
413.08472	4.7
417.21365	0.8
429.08145	1.0
431.09802	100.0
431.22574	2.2
432.10187	12.9
433.27985	0.8
493.30261	11.2
494.30637	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	494.094
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93069	0.6
55.01762	0.7
59.01000	0.7
59.01252	8.5
61.98706	12.1
71.01228	2.4
71.46809	0.6
72.82888	0.7
72.99165	1.1
73.02808	1.1
75.00738	0.6
75.26360	0.6
84.42176	0.6
85.02815	1.6
89.02326	1.5
101.02313	0.9
105.03347	0.7
109.02817	2.1
113.02333	0.9
121.02856	1.8
125.02335	1.3
133.02844	11.7
135.04376	1.8
137.37030	0.6
147.04443	1.2
149.02278	1.6
161.02338	1.1
161.04501	0.8
163.00230	1.5
163.03911	2.7
165.01883	1.5
166.36638	0.7
175.02528	0.9
175.03929	3.4
177.01817	0.6
189.01819	0.8
191.03409	3.0
193.01369	2.0
199.03954	1.7
201.01801	2.5
203.03467	0.9
213.05476	1.0
225.05498	1.2
229.55956	0.8
240.04344	1.1
241.04855	0.7
253.04956	1.3
269.04446	1.1
281.04462	0.8
284.03268	10.3
285.04019	7.7
297.04062	15.9
298.04761	8.6
299.05600	19.0
300.05978	2.3
309.04037	1.2
311.05527	2.6
327.05096	100.0
328.05511	9.4
339.05133	4.1
341.06610	1.3
357.06158	17.8
358.06552	2.2
369.05988	1.2
377.06659	0.8
431.09836	92.7
432.10135	11.7
493.30133	1.1
494.30515	1.2
511.28525	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2729
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01231	0.4
61.98691	0.3
62.63350	0.2
68.48659	0.3
70.37137	1.0
78.95772	100.0
79.85007	0.3
82.29113	0.2
88.13116	0.3
94.40146	0.2
96.96837	8.4
114.56709	0.3
121.12792	0.3
147.56718	0.3
150.97910	0.5
152.99483	18.2
153.99867	0.4
171.00551	18.5
205.09749	0.3
214.04680	0.3
222.34204	0.3
245.34155	0.3
254.87422	0.3
293.17493	0.4
325.20364	0.4
401.23322	0.7
418.23526	2.2
419.24326	0.5
475.27106	0.6
492.27292	63.4
493.27585	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	493.2442
Annotation	Ephemeroside
Peak:m/z	Relative Intensity
58.00447	1.1
59.01249	23.2
61.98692	0.5
70.01004	1.8
71.01253	16.7
72.01593	0.3
72.99171	1.2
83.01232	0.4
85.02818	3.0
87.00737	0.8
87.01533	0.4
89.02313	18.2
95.01254	1.3
98.19855	0.4
101.02326	9.5
113.02322	6.4
119.03385	8.6
131.03366	1.3
143.03368	1.6
147.41669	0.4
149.04443	0.9
149.74210	0.4
161.04456	1.9
167.70262	0.4
179.05527	7.7
179.07001	0.7
201.12749	1.5
201.71843	0.5
265.43820	0.5
269.19095	5.1
270.19458	0.9
287.20169	6.4
288.20300	0.6
313.18094	15.3
314.18427	1.2
331.19119	100.0
332.19467	11.3
332.23392	0.7
345.20645	1.1
373.20181	6.1
374.20370	1.0
493.24417	45.4
494.24655	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	493.302
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01744	0.6
57.03302	0.7
58.00462	0.5
59.01251	16.2
60.01568	0.5
61.98704	1.9
68.90395	0.3
71.01256	10.9
72.99176	1.4
73.02824	3.6
75.00758	0.6
78.93364	0.3
83.01247	1.7
83.04874	0.5
85.02833	3.3
87.00745	1.4
89.02326	3.3
95.01250	1.3
98.20631	1.0
99.00752	0.9
101.02328	6.2
111.00759	0.6
113.02338	3.3
113.86652	0.3
119.03394	1.1
123.08052	0.3
125.02341	0.4
137.09572	0.3
159.02914	0.4
161.04449	0.4
184.31146	0.3
185.11809	0.4
211.13303	1.0
289.18079	0.5
289.80005	0.4
295.22748	0.7
297.04086	0.6
311.22372	0.7
313.23865	8.9
314.24045	0.8
319.14975	0.3
327.05115	0.4
329.23328	2.7
331.24893	26.6
332.25235	3.4
373.26266	0.4
393.20755	0.4
413.08731	0.7
433.28110	0.5
461.20490	0.9
475.29001	1.2
493.30191	100.0
494.30539	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	492.2729
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59290	0.5
61.98705	0.7
62.96274	0.5
71.07607	0.5
73.30573	0.4
78.95776	100.0
95.14155	0.4
96.96843	6.9
111.99966	0.4
112.27682	0.4
152.99490	16.8
171.00557	20.1
201.17020	0.4
241.37018	0.4
249.18784	0.6
293.11612	0.5
311.22177	0.6
325.20255	0.9
401.23361	1.3
418.23935	1.9
419.24490	0.8
475.27231	0.5
492.27304	61.9
493.20975	0.9
493.27689	11.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2729
Annotation	Unknow
Peak:m/z	Relative Intensity
53.83644	0.3
57.03301	0.4
59.01247	0.9
61.98685	0.7
69.61127	0.7
69.61535	1.7
73.01556	0.3
78.95770	100.0
80.10040	0.3
96.96836	7.0
113.09555	0.9
120.15829	0.4
140.01088	2.0
152.99481	17.6
171.00540	16.8
195.13832	6.2
196.03802	0.6
196.14304	0.4
214.04779	2.3
238.36914	0.4
277.21732	7.2
277.24585	0.7
278.21985	1.1
295.22760	42.3
296.23062	5.5
302.66290	0.4
303.64853	0.4
325.20135	0.6
369.21680	0.5
378.89929	0.4
401.23355	1.3
418.23633	1.6
419.24319	1.4
492.27292	62.4
493.27600	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	492.172
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40420	0.6
59.01250	8.6
61.98700	100.0
64.42252	0.5
71.01250	1.4
71.50986	0.6
73.02811	1.1
85.02804	0.8
89.02306	0.9
101.02346	2.2
102.02693	0.7
103.03854	1.1
110.48466	0.5
111.57637	0.5
163.06076	2.6
164.06480	0.8
165.06508	1.3
167.03343	0.7
220.17184	0.7
256.95932	0.6
269.39648	0.5
492.11288	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	492.0788
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03311	1.3
57.99155	0.5
59.01252	16.9
60.01559	0.6
61.98708	10.0
65.00192	0.8
65.04765	0.5
71.01256	5.1
71.50727	0.7
72.99178	1.2
73.02815	2.2
75.00731	1.4
75.06001	0.7
77.03838	1.1
79.01778	0.8
83.01264	1.6
85.02831	4.8
87.00779	1.6
88.95405	0.6
89.02320	2.9
93.03326	0.6
95.01257	1.0
99.00728	0.7
101.02329	3.1
107.01273	1.0
109.02865	3.4
109.14112	0.5
113.02326	1.5
115.00281	0.6
118.97904	0.8
119.04853	1.0
120.01102	0.9
121.02822	2.1
125.02332	0.9
129.01837	5.2
129.77429	0.6
133.02844	14.4
135.02896	1.1
135.04428	2.8
135.98238	1.3
143.03546	0.7
143.16797	0.6
145.66841	0.7
147.04503	0.8
149.02327	2.1
151.00279	1.7
151.03961	0.7
161.02348	3.6
161.04507	0.7
163.00272	6.1
163.02621	0.6
163.03897	2.9
165.01854	2.0
175.03932	1.7
177.01862	0.9
189.01884	0.8
190.99794	2.0
191.01785	0.7
191.03404	0.8
193.01379	0.7
195.10184	0.7
197.06033	0.9
198.94630	0.5
199.03896	1.2
201.01868	2.0
207.02969	2.3
209.02966	1.9
211.03973	1.2
213.05551	1.0
224.04753	1.1
225.05467	1.3
227.03474	1.7
229.04913	0.8
240.04155	0.9
241.05180	1.1
247.06013	0.8
253.05078	2.4
255.02940	3.0
257.04526	1.3
269.04660	2.9
279.03113	1.0
284.03394	4.6
285.04047	14.9
286.04413	1.4
297.04050	40.0
298.04703	9.5
299.02179	1.4
299.05609	24.7
300.05905	2.6
301.03555	3.4
311.01990	0.8
311.05325	1.3
313.03543	1.8
324.03049	0.8
325.03537	28.9
326.04019	3.2
326.07495	0.7
327.05096	40.8
328.05490	3.5
329.23233	1.8
330.23434	0.6
331.24780	1.1
339.04962	1.4
343.04578	100.0
344.04874	11.0
355.04712	3.4
357.06052	1.1
383.07840	1.3
393.06033	1.0
411.07254	4.3
429.08221	19.4
430.08603	2.1
431.22266	0.7
491.29074	1.6
492.29239	0.9
493.24457	1.0
493.30093	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	491.3224
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	0.2
55.05349	0.0
57.03316	0.2
57.15147	0.1
58.00464	0.2
59.01247	5.0
60.01555	0.1
60.19316	0.1
61.82127	0.1
68.80911	0.1
68.99687	0.1
69.03325	0.1
71.01252	4.4
72.01592	0.1
72.99199	0.3
73.02442	0.1
73.02819	1.1
73.53419	0.1
75.00709	0.1
78.95777	0.2
81.03323	0.1
83.01252	0.6
85.02824	1.1
85.99976	0.1
87.00748	0.6
89.02313	3.7
91.03877	0.2
95.01260	0.4
97.02817	0.1
99.00751	0.3
101.02321	4.3
102.02682	0.1
103.03904	0.2
111.00720	0.1
113.02330	2.0
114.02661	0.1
115.03866	0.1
117.52216	0.1
119.03391	1.1
122.38225	0.1
125.02316	0.3
125.92978	0.1
131.03413	0.1
133.04959	0.4
143.03378	0.4
149.04576	0.1
157.04977	0.1
161.04466	1.6
166.94353	0.1
175.33264	0.1
179.05493	0.5
199.13344	0.1
201.54515	0.1
235.08217	1.4
237.22141	0.2
253.09273	14.4
254.09578	0.7
255.23268	100.0
256.23605	9.7
269.24731	0.1
309.20508	0.1
311.22025	0.1
492.30927	0.1
516.49738	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	491.3222
Annotation	Unknow
Peak:m/z	Relative Intensity
54.77346	0.3
59.01244	4.1
61.98693	0.3
70.68954	0.9
71.01247	3.9
73.02811	0.9
78.95766	1.0
81.06127	0.3
85.02803	0.8
87.00709	0.5
89.02307	2.7
89.30083	0.2
101.02320	3.4
108.73680	0.2
113.02354	1.5
116.00336	0.3
119.03385	0.9
131.03366	0.3
133.04932	0.3
134.30389	0.3
143.03386	0.5
152.99451	1.1
161.04431	1.3
179.05482	0.5
209.66476	0.3
210.51167	0.3
235.08293	1.3
253.09250	11.7
254.09622	0.6
255.23256	100.0
256.23615	8.5
301.80112	0.3
334.89389	0.3
491.33414	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.0701
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09707	0.6
57.03314	0.8
57.35445	0.5
59.01251	11.3
61.98691	2.8
63.87306	0.6
65.50690	0.6
71.01239	3.8
72.99182	0.8
73.02804	2.5
75.00753	0.8
78.95770	2.2
85.02818	2.7
85.43832	0.6
86.03167	0.9
87.00747	1.5
89.02325	1.6
97.06510	0.6
101.02300	2.2
109.02817	1.6
113.02289	0.6
121.02838	1.1
121.34982	0.5
125.02335	0.8
133.02852	9.7
133.70934	0.6
134.03250	0.6
135.04343	0.9
137.02361	1.5
149.02380	1.1
161.02338	3.4
161.04462	1.2
163.00316	4.1
163.03897	1.2
165.01805	1.7
175.03893	1.7
177.12953	0.6
179.05542	2.6
189.01843	1.6
190.99753	1.0
191.03477	0.7
199.04012	0.8
201.01801	1.2
207.02968	1.4
211.03917	0.9
225.05493	1.8
227.03395	1.4
229.05099	0.8
253.05057	2.7
255.02972	2.4
257.04718	0.9
269.04553	2.4
284.03134	1.9
285.04016	14.2
286.04288	1.0
297.04007	36.1
298.04532	6.1
299.05582	16.1
300.05917	1.3
301.03638	1.6
309.04187	0.8
311.05603	2.1
313.03452	1.9
325.03497	24.1
326.03842	1.9
327.05106	14.9
328.05417	1.3
329.23245	11.0
330.23755	4.3
337.03482	0.8
341.03140	0.7
343.04556	100.0
344.04877	10.6
385.05475	0.9
411.07230	7.2
412.07779	1.0
429.08191	24.6
430.08658	3.4
432.12125	1.0
491.28564	3.9
492.28564	3.1
493.29959	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	491.2498
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90458	0.2
57.51257	0.2
57.71129	0.2
57.96058	0.2
59.01247	100.0
60.01583	1.1
61.98698	0.3
69.38878	1.2
71.01248	1.1
73.02806	0.3
83.01268	0.2
85.02839	0.3
89.02287	0.2
101.02311	0.7
113.02340	0.3
120.99532	0.4
151.00316	0.2
161.04590	0.2
195.10173	0.4
227.16475	0.3
299.05734	0.3
300.38797	0.2
355.04465	0.8
365.14240	0.2
389.21970	0.7
431.22971	0.6
455.20065	0.2
491.24814	2.0
492.24811	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2861
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	0.8
57.03315	1.4
58.00467	0.5
59.01248	23.7
61.98698	1.2
69.59377	0.5
71.01250	9.7
71.50284	0.8
72.54336	0.5
72.99168	0.8
73.02808	5.3
75.00760	0.8
78.95782	0.9
81.03291	0.5
83.01237	3.0
83.04887	4.0
84.02037	0.6
85.02812	5.5
87.00751	1.8
89.02331	2.5
93.91699	0.4
95.01254	0.9
97.02850	0.7
99.00784	1.0
99.04388	1.7
99.08030	1.6
101.02318	6.7
101.60677	0.5
104.26194	0.5
109.06477	0.6
111.00754	0.6
113.02315	3.5
119.03362	1.2
125.02352	0.8
125.09619	2.0
127.11130	2.5
129.01799	0.6
129.09050	0.6
135.08055	1.0
139.11176	2.2
153.09064	3.3
155.10641	0.6
157.12230	0.5
161.04501	0.6
165.09094	0.5
167.14276	1.1
171.10173	10.0
177.66367	0.5
180.64400	0.5
183.13844	1.6
185.11792	0.6
187.07549	0.6
187.11185	3.8
193.12132	0.6
201.14902	0.6
203.10719	2.0
205.03593	0.6
209.11752	1.4
211.13319	9.6
212.13707	0.8
217.41637	0.6
229.12125	1.1
229.14381	19.6
230.14760	1.2
269.15341	2.1
287.13904	0.9
287.16605	6.3
288.17047	0.9
293.21173	6.6
311.22272	7.0
313.23828	2.1
329.23297	25.8
330.23697	2.7
391.19565	1.4
419.97974	0.6
431.20752	1.6
431.44675	0.6
449.21765	1.2
473.27734	0.8
491.28604	100.0
492.28900	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	491.25
Annotation	Unknow
Peak:m/z	Relative Intensity
54.06526	0.2
59.01252	100.0
60.01593	0.9
70.33685	0.2
71.01254	0.6
71.09225	0.5
85.02850	0.3
101.02341	0.3
113.02296	0.3
132.11995	0.3
152.98642	0.2
161.04549	0.5
195.10036	0.3
248.44968	0.3
389.21796	0.6
424.53345	0.3
431.23038	0.4
491.25055	0.4
518.90295	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2492
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99475	1.0
59.01247	100.0
60.01585	0.9
61.98697	0.4
63.96105	1.6
69.93801	1.4
71.01241	2.9
72.99182	1.6
73.02841	0.4
78.29478	0.4
81.03337	0.5
83.01283	0.4
85.02834	1.3
87.00766	1.4
89.02319	0.8
95.01260	0.4
98.36383	0.3
99.00750	0.5
99.04413	0.6
101.02316	2.0
102.98474	5.0
113.02321	1.2
115.00253	0.6
115.84449	0.4
117.97197	0.8
119.03439	0.5
120.99533	15.0
124.00150	0.3
125.02336	0.6
127.92454	0.4
129.01869	0.4
129.58005	0.4
133.02881	0.6
135.40817	0.3
135.98260	5.7
136.99062	0.5
149.02385	1.4
161.04466	0.9
167.03424	0.8
169.01178	0.4
175.00714	0.3
175.02429	1.6
177.01936	0.4
179.05542	0.5
206.02063	0.5
234.30167	0.3
271.14877	0.4
283.04868	5.1
311.02075	0.4
313.09454	1.6
371.20758	1.2
372.06967	0.5
381.08426	0.6
389.21619	2.3
403.69308	0.4
431.22949	1.6
473.09619	0.7
491.10498	1.4
491.23450	1.7
491.30472	0.8
492.11597	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2497
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14815	0.6
58.69371	0.7
59.01249	100.0
60.01584	1.5
61.98711	1.3
62.53854	0.5
69.03338	0.6
70.33780	1.3
70.34170	1.2
71.01253	13.7
72.99156	0.9
73.02817	12.7
73.03204	1.0
80.36954	0.6
83.01261	3.2
85.02821	3.5
85.55804	0.6
87.00775	1.4
89.02312	4.8
95.01292	0.7
96.80886	0.6
97.02837	1.1
97.06501	0.7
99.00796	0.7
99.30224	0.6
101.02325	14.4
101.62032	0.5
102.02661	0.7
111.08076	0.9
112.86221	0.8
113.02332	7.0
118.97999	0.8
119.03417	1.9
125.02375	0.9
131.03433	0.9
143.03448	2.4
149.04474	2.4
153.09114	4.4
161.04448	6.0
203.05508	0.9
209.15387	4.7
221.06648	1.0
297.04047	0.8
299.05573	0.9
325.03540	0.7
327.05176	1.5
329.23471	1.5
343.04633	3.5
371.20734	6.7
371.24619	0.7
389.22003	2.7
429.08112	3.0
431.23004	6.5
431.27515	2.7
449.27856	2.4
491.17725	0.8
491.29309	3.4
492.08807	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2493
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	100.0
60.01582	1.3
60.37842	0.2
63.96117	0.3
67.81293	0.2
69.61391	1.0
69.61800	0.6
69.90679	0.3
71.01250	1.5
72.99175	0.4
73.02828	0.5
82.96009	0.3
85.02820	0.5
87.00793	0.3
89.02299	0.6
101.02313	1.2
113.02339	0.7
117.97205	0.3
119.03396	0.4
126.09876	0.3
128.03499	0.3
133.02838	0.4
135.98288	1.0
143.04491	0.4
149.02383	0.3
152.07082	0.9
155.10698	0.4
161.04417	0.4
177.03864	0.3
192.06583	1.1
227.16502	0.8
297.04202	0.3
299.05563	0.3
306.07736	0.4
308.01166	0.2
321.78116	0.3
327.05045	0.3
327.13419	0.4
339.04965	0.3
357.06357	0.3
357.14413	2.0
361.34845	0.3
371.20474	0.4
379.96582	0.3
389.21921	0.9
431.22824	2.1
491.10205	1.1
491.23752	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2497
Annotation	Unknow
Peak:m/z	Relative Intensity
54.35056	0.4
57.03328	0.8
59.01250	100.0
60.01587	1.4
61.98705	3.1
67.19586	0.4
69.03324	0.6
71.01253	10.8
71.50497	0.5
72.99193	1.6
73.02819	10.1
75.00761	1.8
81.03326	0.5
83.01248	2.3
85.02801	2.4
87.00764	1.4
87.04391	0.5
89.02318	3.3
95.01275	0.6
99.00750	0.5
101.02315	10.2
109.02819	1.0
111.00771	0.5
113.02325	5.0
115.00275	0.9
115.57348	0.5
119.03403	1.4
121.02872	0.6
123.08065	0.5
125.02321	1.6
131.03391	1.0
133.02840	3.1
135.04387	0.9
135.98248	1.5
143.03432	0.8
143.04482	0.8
149.02370	0.9
149.04478	1.9
153.09105	3.5
155.03546	0.7
161.02394	0.9
161.04474	4.6
163.00391	0.9
175.02443	0.8
175.03900	0.7
177.01907	0.8
199.03867	0.5
209.15390	3.0
213.97899	0.5
221.06667	0.6
227.03384	0.9
241.12704	0.9
253.23003	0.5
255.03004	0.6
257.04489	0.8
269.17673	1.1
275.05618	0.5
284.03287	1.0
285.03979	3.1
297.04041	7.0
298.04910	0.9
299.05612	5.1
301.03473	1.1
313.03534	0.8
325.03485	4.6
327.05106	7.5
329.23361	0.5
343.04568	19.0
355.04602	0.6
371.20615	4.4
372.21246	0.6
389.21854	0.9
411.07394	2.0
429.08243	4.8
431.22760	7.0
432.23206	0.7
491.10657	0.6
491.24133	0.8
491.30261	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2497
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	100.0
60.01589	1.2
61.98711	1.0
63.96095	0.4
69.41806	1.8
69.42221	0.8
71.01255	3.9
72.99194	0.8
73.02821	1.0
74.97771	0.3
83.01241	0.5
85.02840	1.3
87.00770	0.8
89.02306	2.9
94.50954	0.4
99.00825	0.4
101.02328	2.4
111.00750	0.6
113.02344	1.9
117.97240	0.4
119.03432	0.9
120.99556	0.8
122.03707	0.4
125.02355	0.6
128.03476	0.8
131.18092	0.4
133.02783	0.5
135.04465	0.5
135.98280	1.6
137.02354	0.5
143.03429	0.5
143.04524	0.6
149.02357	1.1
150.03073	0.5
161.04491	1.2
165.05569	0.4
167.03511	0.6
177.01685	0.4
179.05571	1.3
203.73630	0.4
272.08942	0.4
277.29764	0.4
306.07559	0.7
310.04449	0.9
311.04807	1.2
313.09323	0.5
371.06973	0.5
371.20880	1.2
381.08405	0.5
389.21954	1.4
431.08978	0.7
431.22986	3.0
491.10098	1.4
491.17252	0.6
491.23587	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2497
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28901	0.6
56.88651	0.6
59.01250	100.0
60.01583	1.0
62.72519	0.6
69.14394	5.7
71.01251	8.2
72.99172	0.7
73.02814	5.3
79.02708	0.7
83.01283	2.3
85.02847	2.7
85.43761	0.6
87.00771	0.9
89.02314	5.9
97.02841	0.7
101.02319	8.7
113.02306	3.4
119.03382	2.8
131.03415	0.8
132.46844	0.7
133.02864	1.4
135.98299	1.4
137.02394	0.7
143.03406	1.0
149.02377	2.5
161.04527	2.0
167.03409	1.2
175.02434	0.8
177.01860	0.8
179.05623	0.9
192.06702	0.8
203.05693	0.7
263.97180	0.7
299.05432	0.8
306.07736	0.6
313.09546	1.3
315.08063	0.8
357.14764	1.0
371.06857	1.8
371.20883	1.2
381.08249	0.8
389.21802	5.5
390.22028	0.8
431.22897	4.9
432.23132	0.7
491.10785	4.2
492.11530	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01738	2.8
57.03320	7.2
59.01249	100.0
60.01576	2.3
61.98696	3.7
65.11382	1.3
69.03333	2.6
71.01250	38.3
71.50343	2.3
72.99156	2.3
73.02814	34.3
75.00699	1.5
78.95789	2.1
79.05427	1.3
81.03342	1.6
83.01260	11.0
83.04892	37.4
85.02821	12.2
87.00745	8.9
89.02338	7.5
95.01238	2.0
97.02810	2.7
97.06464	2.7
99.00742	3.5
99.04388	2.7
101.02320	35.7
109.02798	1.4
111.00721	1.9
113.02330	10.1
116.00725	1.4
118.97971	2.9
119.03401	2.8
121.06454	8.5
123.08049	3.3
125.02330	2.1
125.09599	3.2
133.06516	1.5
135.08017	5.7
137.05983	1.8
137.09549	2.1
143.03467	3.1
146.04572	1.6
149.04446	2.5
149.05826	1.5
151.07553	2.3
153.09099	16.9
161.04466	6.2
161.09564	1.5
165.07765	2.1
165.09120	29.0
171.10172	3.1
175.02475	1.4
177.09081	2.6
187.07532	5.5
187.11188	3.7
191.10631	1.7
201.12772	2.1
203.10760	12.5
211.13307	2.8
215.03334	1.4
215.10744	1.8
227.14360	2.0
229.12326	18.9
229.14375	2.1
230.12617	2.0
245.15349	4.8
257.11728	2.7
259.17172	1.6
269.15457	20.0
271.13483	1.7
272.14172	5.9
285.14917	4.5
286.15646	3.5
287.16513	75.1
287.21793	3.0
288.16824	7.5
311.22192	1.8
329.23358	14.9
407.17316	1.6
431.20575	7.7
431.26538	4.3
449.21619	8.3
449.27634	6.0
491.22574	18.3
491.28665	46.5
492.22705	3.7
492.28830	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	491.2388
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59882	0.4
59.01231	1.0
59.19128	0.4
59.27033	0.4
70.58255	0.5
70.58597	1.4
72.79353	0.4
78.95773	70.1
82.60931	0.4
96.96844	5.8
98.39905	0.4
101.36058	0.4
104.43059	0.4
113.22956	0.4
149.84419	0.5
150.97923	2.0
152.99483	100.0
153.99792	1.8
171.00610	2.5
192.98779	0.5
202.69714	0.4
241.25026	0.4
255.23245	2.2
272.29636	0.4
350.87900	0.4
376.69061	0.5
409.23587	36.1
410.23975	4.6
450.38382	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.226
Annotation	Unknow
Peak:m/z	Relative Intensity
56.28753	1.2
59.01250	6.8
61.98695	6.4
71.01247	8.8
71.37461	3.0
72.99165	4.6
78.62612	1.2
78.95773	53.6
80.02556	1.5
83.01239	2.0
87.00763	7.0
93.34592	1.3
95.04924	1.4
96.96825	4.6
99.00761	7.5
109.18921	1.4
112.98694	9.3
115.00262	24.4
119.41917	1.2
129.01816	2.1
139.34085	1.5
142.99721	6.9
145.01350	4.2
147.04453	1.3
152.99475	11.7
163.11186	2.7
171.00519	7.8
174.01601	12.6
175.02396	19.9
203.10500	1.8
203.63414	1.4
223.13121	3.9
231.09950	31.3
232.10321	2.1
233.11479	8.5
235.09518	1.6
249.22235	4.8
265.10419	1.7
267.12198	3.1
275.12860	1.7
295.22852	1.6
299.19699	2.5
315.19641	1.5
317.20944	100.0
318.21271	11.0
331.22418	8.5
341.20978	2.1
345.20520	7.4
346.20599	2.0
355.18674	3.6
359.21881	3.6
369.20285	10.1
371.18192	3.8
373.19867	6.4
374.20633	1.6
376.20639	1.4
383.18253	2.0
385.19775	4.0
387.21478	9.1
391.70407	1.7
399.21506	2.2
401.19489	2.3
403.21262	2.6
413.19418	6.0
423.92139	1.4
431.20554	14.2
432.20581	2.0
473.21225	2.0
491.25616	1.6
492.27237	35.5
502.23984	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	491.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	9.7
61.98689	2.3
67.01727	1.5
69.53766	6.2
71.01247	13.2
72.99178	2.0
73.02803	1.2
75.00748	2.2
78.95772	81.0
83.01247	16.4
83.63654	1.1
85.02855	2.3
85.36516	0.9
87.00741	17.9
96.96835	7.3
98.19846	2.2
101.02317	2.2
111.00766	18.1
114.99490	1.9
115.00250	31.4
135.02873	1.8
138.99261	1.9
139.00266	26.3
141.09671	1.1
142.99736	3.0
152.99506	15.4
157.01324	41.3
158.01688	1.5
171.00542	13.2
175.02386	71.3
176.02716	1.9
197.98892	1.0
215.10678	1.4
227.71884	0.9
241.12241	1.6
253.12312	1.4
265.12366	1.5
267.10245	2.5
285.18390	1.2
293.15387	2.0
297.14920	1.4
299.20099	15.4
300.20590	2.7
301.21777	1.3
307.17007	2.7
308.17554	1.5
311.19870	1.6
313.21677	9.4
314.18707	1.4
314.21979	1.9
315.19418	3.7
316.19806	1.1
323.20142	48.7
324.20456	7.4
326.15213	1.3
327.19705	5.7
328.20255	3.1
329.21027	3.9
336.16904	1.6
339.19519	6.1
340.19925	1.5
341.21204	16.6
342.21481	2.4
351.19678	2.4
355.19077	4.0
357.20709	6.3
367.19104	16.7
368.19540	3.4
369.20694	51.6
370.21118	5.9
371.18597	2.2
372.19382	1.6
373.20120	2.1
385.20313	11.5
386.20374	1.3
387.21521	3.0
401.19604	28.7
402.20041	5.3
403.20773	2.5
413.19656	100.0
414.20032	17.0
418.23315	1.2
431.20514	4.8
473.21719	2.9
491.22217	16.5
492.27438	48.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.2571
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01239	0.6
61.98686	0.4
62.96274	0.3
65.88390	0.2
71.01234	0.5
71.50064	0.2
78.95769	100.0
87.00720	0.4
95.04900	0.4
96.96836	8.1
99.00745	0.3
101.81988	0.2
104.29305	0.2
106.31878	0.2
112.98692	0.4
115.00257	0.8
116.00587	0.3
121.23151	0.2
140.01097	0.4
145.83675	0.2
150.97913	0.2
152.99478	16.7
171.00540	17.7
172.00702	0.3
174.01692	0.6
175.02359	1.1
176.02733	0.3
214.04828	0.4
231.09900	0.8
232.10274	0.6
293.21072	1.1
315.19397	1.6
316.19672	4.2
330.21295	0.5
330.34546	0.3
368.19055	0.3
412.18417	0.3
416.22144	1.5
430.19083	0.6
490.25717	58.7
491.18936	0.4
491.26105	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	491.0834
Annotation	Carmine
Peak:m/z	Relative Intensity
51.97538	1.0
59.01251	12.9
59.48722	1.3
61.98705	1.5
71.01262	3.2
71.05508	2.4
77.03838	2.2
79.01753	1.3
85.02866	1.1
87.00755	1.2
89.02326	2.1
97.02845	1.3
97.27145	1.3
101.02319	1.5
104.86543	1.2
106.80624	1.0
109.02856	4.9
110.96405	1.1
113.02260	1.4
119.04829	2.1
120.54523	1.6
121.02845	4.2
128.03419	1.4
133.02840	19.6
135.04420	5.4
138.01855	2.7
143.04594	1.3
147.04410	1.2
149.07095	1.1
161.02425	1.5
161.04361	1.2
163.00258	1.7
163.03889	3.8
165.01863	5.0
166.45103	1.1
174.03180	1.2
175.03932	2.7
177.01860	2.1
199.03999	3.3
201.01935	1.4
213.05547	1.7
215.03357	1.1
219.81683	1.2
225.05586	2.9
226.06184	1.3
227.07120	1.4
229.05067	1.1
240.04387	1.2
241.04985	1.4
243.06630	1.3
253.05098	1.4
254.05458	1.3
255.06660	2.7
257.04523	1.9
269.04523	1.6
285.04056	6.6
297.04065	12.2
298.04727	5.2
299.05603	59.5
300.05899	6.2
306.07571	1.6
309.04001	2.3
311.05566	6.2
325.03595	1.8
327.05093	100.0
328.05518	10.7
330.03937	3.2
339.05112	12.2
353.02963	4.1
357.06134	29.9
358.06525	4.0
369.06192	3.3
447.09308	27.3
447.62427	1.1
448.09717	2.5
473.07248	14.6
474.07516	2.0
491.08340	99.8
491.16144	4.1
492.08658	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	490.1202
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	32.4
61.98704	100.0
71.01237	8.3
71.52650	4.1
80.82095	4.3
93.36714	4.0
101.02329	10.3
165.05496	4.1
166.88644	4.2
204.48254	4.1
386.20676	4.1
438.26764	5.1
490.10550	6.4
517.81189	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	490.2574
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86532	0.3
57.03329	0.7
59.01254	2.3
61.98696	0.5
62.96281	0.4
69.88985	0.4
70.73110	0.3
71.01241	0.7
78.95773	100.0
87.00770	0.8
91.25467	0.4
96.96836	8.4
99.00765	0.5
112.98675	0.8
113.09584	3.4
115.00262	1.4
116.00580	0.4
134.04648	0.6
140.01068	0.6
152.99490	17.7
162.05946	0.4
167.10739	0.6
171.00549	18.5
174.01608	1.3
175.02357	1.9
176.02800	0.7
195.13765	0.5
214.04781	1.2
231.09895	0.4
249.22226	0.4
275.20145	0.4
293.21201	20.8
294.21503	2.3
315.19376	3.2
316.19717	8.5
317.19995	0.8
330.21204	0.6
344.19394	0.4
386.20557	0.6
402.20041	0.6
416.21942	1.6
430.19019	1.0
470.12509	0.4
490.25726	66.8
491.26050	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	489.2701
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	52.6
61.98690	1.5
63.65297	1.8
66.04160	1.5
69.34776	2.7
69.35179	10.9
71.01247	18.5
73.02808	5.1
83.01243	4.3
85.02828	9.6
89.02321	1.5
98.19814	3.3
101.02312	16.4
111.00763	2.5
113.02322	5.0
127.55342	1.5
132.71721	1.7
267.19580	2.1
285.20767	5.2
294.17944	1.8
315.35394	2.1
389.94421	1.6
429.24893	23.0
430.24969	2.1
443.81604	2.0
447.25970	54.5
448.26300	5.9
489.27032	100.0
490.27451	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	489.2706
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03312	2.1
58.00459	0.6
59.01253	20.8
60.01610	0.5
61.98695	0.8
66.26542	0.5
69.03320	0.8
71.01250	11.5
72.15011	0.5
72.99175	1.4
73.02820	3.5
83.01260	1.3
83.04881	0.6
85.02820	9.3
87.00766	1.0
89.02331	4.7
95.01258	1.2
95.90637	0.6
97.02811	0.7
97.06477	1.6
98.19800	1.7
99.00776	1.1
101.02332	6.7
111.00756	1.3
113.02319	4.9
118.97990	0.9
119.03385	1.5
123.08012	1.0
125.09586	1.7
127.11154	1.4
129.01837	2.6
135.10284	0.6
137.09639	1.4
141.09201	0.5
155.10699	5.6
159.78369	0.5
161.04439	1.8
163.11180	0.8
163.96503	0.6
165.12773	1.0
167.14354	0.6
171.10188	13.4
172.10588	0.8
178.59145	0.7
183.13850	1.4
185.11734	1.4
197.11751	2.1
201.11218	1.2
205.03467	1.6
209.11786	1.4
211.13344	8.1
212.13818	0.7
221.11813	0.7
227.12860	0.8
229.14378	17.2
229.16519	1.1
230.14790	1.2
239.12787	0.8
257.13821	0.9
267.07800	0.9
273.18723	0.9
291.19702	5.9
292.19992	0.7
309.20636	5.2
311.22302	1.4
315.50183	0.6
327.21765	14.1
391.19489	1.5
429.25052	1.4
478.31717	0.6
489.27045	100.0
490.27371	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	489.2702
Annotation	Unknow
Peak:m/z	Relative Intensity
54.66735	0.7
55.01754	3.0
57.03317	2.3
58.00475	1.0
59.01251	58.6
60.17914	0.8
71.00854	1.0
71.01250	18.7
72.99193	2.0
73.02823	8.4
81.76840	0.7
83.01244	7.1
85.02819	11.0
85.99954	1.8
87.00732	1.4
89.02309	2.6
95.01263	2.5
99.00762	3.8
101.02319	19.2
111.00798	0.9
113.02319	6.8
119.03340	1.0
121.02818	3.8
144.72035	0.7
161.04323	1.0
181.06538	1.5
225.05386	1.2
258.11539	0.7
267.19553	2.0
285.20615	4.8
291.19461	1.7
309.20724	2.1
401.25476	1.5
411.92480	0.9
429.24881	34.2
430.25195	4.7
447.25958	74.3
448.26266	10.4
489.14664	2.7
489.27020	100.0
490.27307	16.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2341
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	3.7
55.83017	0.6
57.03324	18.6
59.01256	7.2
59.42421	0.5
60.01586	0.7
60.28768	0.5
61.98703	0.9
67.01749	1.8
68.99710	1.0
70.51679	2.0
71.01247	7.3
72.99161	0.9
73.02821	1.8
75.00754	1.0
79.96134	0.6
80.83076	0.5
83.01257	10.3
84.02032	2.4
85.02823	100.0
86.03169	2.1
87.00735	0.9
99.00739	1.1
101.02328	5.3
111.00759	32.5
112.01078	1.3
129.01826	58.4
130.02159	1.6
132.01993	0.7
160.40987	0.6
161.04462	3.5
166.06226	0.8
168.37813	0.6
173.00787	0.7
181.12175	1.5
187.02397	2.7
197.57555	0.8
205.03474	45.6
206.03793	1.4
221.15538	1.0
223.04530	6.0
265.17990	1.3
283.19238	3.7
489.23108	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	489.2343
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03327	0.3
59.01252	100.0
59.29211	0.3
59.67287	0.3
60.01585	1.4
61.98694	0.4
69.18702	2.6
71.01259	2.1
72.99181	0.3
73.02818	1.2
75.98575	0.3
85.02829	1.1
87.00778	0.3
89.02311	0.7
95.01228	0.3
101.02335	1.3
113.02353	0.8
117.03335	0.5
119.04992	0.3
133.02890	0.4
135.98302	0.5
138.24307	0.3
139.23116	0.3
151.03923	0.4
161.04488	0.5
283.06131	0.4
284.03192	3.0
285.04080	3.4
286.04208	0.6
297.07623	0.5
307.06207	0.5
309.07755	0.5
325.06918	0.9
327.21765	0.8
337.06931	0.4
367.07956	0.4
369.06161	0.8
372.99048	0.3
387.20285	0.8
399.07138	1.1
429.21057	0.8
489.10214	9.8
489.22617	0.9
490.10294	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	489.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
55.34923	0.4
59.01249	100.0
60.01600	1.1
60.28603	0.4
61.98685	0.6
63.96107	0.4
64.56185	0.3
69.03329	0.4
69.69706	2.4
71.01253	5.4
73.02813	2.9
75.00739	0.6
80.96401	1.2
83.01267	1.4
85.02841	1.5
86.87439	0.4
87.00751	3.6
89.02321	1.2
94.97978	0.6
95.01276	0.5
97.02875	0.3
98.20456	0.6
99.00771	0.5
101.02327	4.5
113.02337	2.3
115.00278	4.6
118.98007	1.3
119.03417	0.4
125.02333	0.7
127.60863	0.4
131.03407	0.7
133.02827	1.7
135.04402	0.4
137.02417	0.4
139.00215	0.4
143.03452	0.5
143.89050	0.4
147.58888	0.3
149.02286	0.4
149.04518	1.0
157.01407	0.6
161.04437	2.1
161.09604	0.4
175.02397	9.3
177.01886	0.6
177.05511	0.4
198.03691	0.4
205.01370	0.6
206.05826	0.4
207.13922	0.4
221.06630	0.6
221.10168	0.5
225.00601	0.4
253.14575	0.7
267.06509	0.4
283.05368	0.4
297.04041	0.6
298.04803	2.3
311.05759	1.0
312.06378	0.8
313.07193	1.7
313.12003	0.4
327.05176	1.5
339.05231	1.1
341.06726	1.2
353.06647	0.5
369.06146	7.0
369.18964	0.5
370.06454	1.0
381.06393	0.5
399.07248	3.0
400.07272	0.5
429.21707	0.9
471.09869	0.5
471.15817	0.6
489.10352	10.2
489.16757	1.4
489.69589	0.4
490.10355	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	489.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03853	1.1
55.01742	3.2
57.03311	3.2
59.01247	100.0
61.98696	6.4
67.65842	1.2
69.03333	1.3
69.52831	8.9
71.01249	44.5
72.01614	1.1
72.99162	3.1
73.02820	15.0
78.95736	1.3
80.67578	1.0
83.01246	12.3
85.02819	22.8
85.76038	1.1
87.00751	4.4
89.02295	5.9
94.13763	1.2
95.01251	4.9
97.02816	2.5
99.00761	8.0
101.02319	37.6
111.00730	1.4
113.02328	17.1
119.03326	2.8
125.02319	5.9
131.03416	7.5
135.34488	1.3
143.03395	6.1
159.02919	1.8
161.04463	9.8
168.87263	1.1
179.05472	1.1
204.61674	1.2
272.04602	3.1
285.17102	4.9
285.20398	1.7
327.18051	3.4
336.89545	1.4
399.05545	1.2
429.21158	5.3
430.17261	1.7
443.53113	1.2
447.22101	37.2
448.22546	4.5
489.27344	15.4
490.27170	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46656	0.9
57.03299	1.4
58.00466	1.0
59.01249	100.0
61.35323	0.8
66.76089	0.7
69.03329	2.0
71.01250	13.5
72.99168	1.9
73.02812	10.8
81.03323	1.1
83.01239	2.3
85.02812	6.0
85.05994	0.9
85.06490	0.8
87.00727	3.9
87.04357	1.1
89.02319	10.4
93.03318	1.8
93.91199	0.8
95.01263	1.1
97.02767	1.5
101.02314	21.1
103.03882	8.6
109.02815	2.4
113.02310	3.9
115.03880	2.7
117.03358	0.9
119.03392	5.2
119.04882	1.3
123.04397	1.4
125.02306	1.9
127.03795	1.0
131.03339	3.4
132.02022	1.2
133.02829	7.3
135.04405	2.9
137.02303	1.1
137.09560	2.3
143.03348	4.0
145.04930	2.1
145.90456	0.9
149.02312	2.4
151.03896	1.7
157.65375	0.9
161.02184	1.6
161.04399	2.3
163.02577	1.3
163.03868	1.7
163.06020	30.2
164.06317	1.5
165.01808	2.3
166.02536	1.1
175.03859	2.4
177.01776	2.8
177.05434	1.1
179.03419	2.1
193.01314	1.6
195.08313	1.4
203.03362	1.2
205.07092	9.2
206.04443	3.5
207.02921	1.3
207.04759	3.0
207.13811	4.4
213.05341	1.0
225.14832	3.9
233.77222	1.1
239.06931	1.1
239.10950	2.2
241.04924	1.6
265.09164	2.4
267.06628	1.2
282.04761	1.3
283.05829	2.2
284.03107	1.2
284.06467	2.2
285.03824	2.4
297.03848	3.4
298.04816	9.4
299.05319	3.7
300.05923	1.2
309.03870	1.5
311.05518	5.4
312.06116	9.1
313.07129	7.4
314.07565	1.1
323.05457	1.3
324.05585	1.0
325.07117	1.3
326.08698	2.7
327.04916	8.4
327.09058	4.9
328.05341	3.1
339.05121	6.5
341.06552	7.8
342.06897	3.5
353.06589	2.7
357.06027	1.8
358.06400	2.1
367.04620	1.2
368.07794	1.6
369.05902	33.7
369.19077	11.7
370.05978	4.3
370.19437	1.1
381.06033	2.0
383.07254	1.0
385.05264	1.4
387.20374	1.5
398.08774	1.5
399.07062	19.3
400.07193	2.2
411.07251	1.8
415.06607	1.5
429.07990	2.8
429.17245	3.2
429.22000	1.6
430.07999	1.0
432.10034	3.2
471.09897	2.8
489.10522	50.6
489.22083	4.7
490.10742	9.9
490.23804	1.0
490.30225	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	489.1513
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27135	0.4
57.03311	0.8
58.00467	0.5
59.01249	14.7
61.98699	3.7
67.01765	0.4
71.01249	15.9
72.99183	2.0
73.02816	1.5
75.00764	0.4
76.15250	0.3
80.96402	0.9
83.01254	4.8
85.02814	2.5
87.00745	29.6
88.01080	0.5
89.02297	0.7
95.01277	0.5
98.20586	0.9
99.00757	0.9
101.02316	1.3
109.02823	0.5
111.00760	6.0
112.98701	1.1
113.02312	2.8
115.00254	56.5
116.00597	1.3
117.03359	0.4
125.02303	0.6
127.00269	1.2
133.02815	0.8
135.84856	0.3
139.00269	14.1
140.00624	0.4
146.06015	1.1
148.05913	0.4
149.02315	0.4
157.01328	25.3
158.01669	1.2
172.04025	0.4
174.01541	0.4
174.05493	1.5
175.02391	100.0
176.02693	3.4
177.01888	0.5
182.02205	0.4
207.05260	1.2
225.00580	0.5
226.12303	3.1
229.74370	0.5
240.09047	0.7
241.07416	1.8
241.09636	0.4
261.28345	0.4
269.12930	13.3
270.13217	1.4
271.14575	0.6
273.06543	0.4
281.04669	0.5
283.14346	0.7
285.03961	0.4
293.55194	0.4
295.10748	0.4
297.04181	0.6
297.12387	1.2
298.04807	1.5
299.05380	0.5
299.13947	1.2
313.07947	0.7
313.11929	10.4
314.12143	1.0
327.05045	1.2
327.13269	1.3
339.05188	0.5
341.11386	0.8
343.12958	2.8
353.11197	0.5
357.05975	0.5
365.14581	0.5
369.06137	2.3
370.06003	0.8
371.12479	4.9
372.12375	0.8
373.14063	1.4
381.14542	0.4
385.14127	2.1
391.12772	1.2
399.07217	0.8
399.15662	0.9
400.06854	0.8
409.14044	7.7
410.14304	1.2
427.15033	8.1
428.15225	1.6
429.12949	3.8
430.12897	0.5
453.12933	1.3
471.14792	1.7
489.09680	4.5
489.16736	2.6
490.10104	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1359
Annotation	Unknow
Peak:m/z	Relative Intensity
56.15081	0.3
59.01253	3.1
61.28357	0.4
61.98702	100.0
66.31237	0.4
68.90955	0.4
71.01258	2.4
71.52679	0.4
85.02834	0.7
87.00766	1.4
89.02329	0.8
96.95901	0.7
97.25035	0.4
101.02354	0.6
113.02363	0.6
115.00260	1.7
118.06499	0.6
121.02858	1.1
149.02367	2.0
157.01375	0.9
162.05492	0.5
164.04697	0.5
175.02423	2.1
177.50964	0.4
197.35928	0.3
202.45410	0.4
274.91046	0.4
327.12274	2.6
369.06085	0.5
391.64279	0.5
489.10419	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1037
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	0.7
59.01249	41.3
59.54597	0.7
61.13531	0.6
61.98701	1.1
69.67163	2.9
69.67577	1.0
71.01248	5.1
72.99161	0.7
73.02818	1.4
73.30867	0.6
75.00731	0.9
79.01768	3.0
83.01273	1.2
85.02827	1.8
87.00734	1.0
89.02305	1.8
91.05417	1.2
93.03331	3.4
95.01228	0.9
97.03858	0.6
101.02328	3.6
107.01280	0.6
109.02827	1.3
113.02288	1.7
114.05492	11.2
115.03895	0.7
115.05923	1.0
117.03347	9.4
119.03445	0.9
119.04922	3.1
121.02809	0.7
123.00788	0.6
131.04912	1.0
133.02852	4.3
133.06474	2.0
135.04417	7.3
135.98212	0.8
147.04420	1.2
149.02324	2.9
149.05975	2.7
151.03902	0.7
159.04465	2.1
161.02313	3.7
161.04485	1.3
163.03903	2.5
173.05998	1.5
175.02461	1.3
175.03835	3.2
177.01845	2.2
177.05481	4.5
179.03418	2.0
186.84482	0.7
189.01859	2.4
189.05487	1.1
191.03325	1.1
196.05222	0.8
197.05972	1.7
203.03403	1.4
207.02925	1.0
207.13667	0.9
210.06763	0.8
211.07524	0.9
223.07610	0.7
225.05618	1.0
225.09062	1.3
225.14857	1.8
233.04256	0.7
237.05423	1.2
238.06316	0.7
239.07108	0.9
251.07117	1.8
253.04919	1.1
253.08643	2.6
255.06664	1.2
267.06650	2.0
267.16034	1.1
268.07281	1.3
269.08005	0.8
281.04514	0.8
283.06039	5.1
293.08316	0.9
295.06094	10.7
296.06750	3.1
297.07654	77.2
298.04727	3.5
298.08017	8.1
307.06024	4.5
309.03983	3.8
309.07635	6.8
311.05600	2.6
312.06256	1.9
313.07040	3.9
322.04877	1.2
323.05487	2.8
325.07153	100.0
326.07486	10.4
326.71545	0.7
327.05084	1.9
328.05807	3.7
337.07156	13.2
338.07419	1.2
339.05048	1.5
341.06708	2.4
343.04486	1.9
351.05103	1.0
353.06717	1.3
355.08212	26.5
356.08444	2.5
367.07959	1.8
369.06100	14.6
369.10306	1.4
369.19107	2.4
370.06387	1.9
381.05969	1.9
383.07584	0.8
387.20197	0.9
399.07147	6.3
427.10004	1.0
429.08191	1.9
429.21661	1.5
445.11383	27.1
446.11963	5.0
447.88501	0.7
471.09381	2.6
489.10355	77.2
489.22644	2.5
490.10669	13.4
490.30103	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	488.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01240	3.3
68.01270	1.6
69.45903	4.3
71.01244	5.2
73.02826	1.7
73.84660	0.7
79.41640	0.7
85.02816	1.6
87.00738	0.8
94.50319	0.6
99.00802	1.0
101.02311	2.7
110.02364	0.9
113.02314	2.1
115.00252	0.8
147.04372	0.9
161.04443	3.1
167.14369	0.8
183.13811	5.3
184.14186	0.8
193.12305	1.2
211.13329	100.0
212.13683	7.5
225.14629	0.7
231.09874	1.4
235.13333	1.5
247.76373	0.7
253.14325	4.2
277.14395	0.8
289.99689	0.7
295.15393	1.7
306.09357	0.8
315.19312	2.9
355.17581	0.9
388.02118	0.8
438.43222	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.2867
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03336	3.6
58.00445	0.6
59.01255	13.6
60.01587	0.9
60.94506	0.5
61.98688	0.7
69.03344	0.7
70.02850	0.8
71.01256	27.4
71.50791	0.6
72.04404	0.8
72.99172	0.7
73.02827	2.6
83.04899	0.7
85.02818	5.1
87.00767	1.6
88.03918	20.3
89.02313	1.3
96.95892	2.2
97.06475	0.6
99.00745	0.8
99.92472	2.4
100.07507	0.8
101.02325	2.0
111.00786	1.1
111.08045	0.7
113.02323	1.6
115.00261	16.7
115.91976	2.8
116.92752	5.6
118.97994	0.6
119.03447	0.8
123.07999	0.6
125.02333	0.6
125.09653	1.4
127.11185	1.2
129.01807	1.5
132.02910	2.2
136.07556	0.6
137.09601	1.4
142.12291	3.5
152.10698	5.0
155.10709	2.8
157.97670	1.1
161.04494	1.1
165.12778	0.7
170.11774	15.0
170.15469	0.9
171.10190	2.2
171.12126	1.0
179.05540	3.4
183.13713	1.1
184.13329	1.1
198.14897	1.5
201.14909	2.4
205.03455	0.6
211.13356	4.5
221.11749	0.7
229.14426	3.0
230.15213	2.8
260.96960	0.9
281.04907	0.9
291.19739	0.8
309.04050	0.8
309.20798	0.8
327.21744	17.4
354.26514	2.7
369.06339	0.7
371.24362	0.7
372.27545	12.1
373.25876	22.8
374.26251	4.0
409.09665	0.8
412.65329	0.5
444.29770	6.6
445.29938	0.8
453.08578	1.5
470.27640	2.5
488.28662	100.0
489.10336	4.3
489.21515	1.1
489.28958	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	488.2862
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83146	0.7
55.01757	1.5
55.54798	0.8
57.02208	0.9
57.03323	6.3
59.00965	1.5
59.01246	27.3
60.01567	1.6
65.34363	0.7
69.03310	1.5
70.02827	0.9
70.83911	2.1
71.01249	31.7
71.04897	0.9
72.99165	0.9
73.02808	2.4
73.24785	0.7
75.00739	0.8
78.95773	1.7
79.90131	0.9
83.01258	2.4
83.04869	1.1
85.02820	14.3
86.03172	1.2
87.00737	2.9
87.04353	1.2
88.03912	20.3
89.02313	2.0
96.95895	3.6
97.02835	1.4
97.06435	2.2
99.00749	1.7
99.92442	3.0
101.02321	4.8
109.06461	0.8
111.00744	2.8
113.02324	3.4
114.99494	1.6
115.00262	19.4
115.91959	4.9
116.92737	6.6
117.49026	0.8
121.02827	0.7
123.08007	1.1
125.02399	1.1
125.09618	2.4
127.11184	2.2
128.03372	1.0
129.01834	5.4
132.02913	1.4
133.02818	1.9
137.09615	2.3
140.10719	0.8
142.12251	2.7
144.87930	0.9
152.10707	5.5
153.12770	1.5
155.10634	2.7
161.04478	1.8
165.12857	1.1
168.06511	1.6
168.83072	0.8
170.11800	16.8
171.10217	3.8
179.05522	8.1
183.13824	1.9
185.11661	0.9
198.14885	1.9
201.14891	2.9
205.03473	3.2
211.13327	9.1
221.11717	1.8
226.68898	0.8
229.14357	8.0
230.15182	3.2
232.44380	0.8
255.43517	0.7
291.19702	1.5
297.12238	1.1
309.04193	1.4
309.20718	1.3
311.05911	1.2
326.09540	1.0
327.17844	1.9
327.21750	38.8
339.05121	1.4
354.26401	2.9
354.50348	0.9
363.02551	1.0
369.06335	1.9
372.27542	14.5
373.25873	23.8
374.26282	2.9
384.08188	1.0
408.09909	1.8
409.09869	1.4
429.25104	0.9
444.29636	5.8
445.30545	1.0
453.08408	1.7
470.27243	1.9
471.20074	1.7
488.28629	100.0
489.10489	6.5
489.21082	1.5
489.28668	19.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.1204
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65700	1.2
59.01250	53.0
65.00198	2.8
65.99721	3.1
70.84164	3.7
71.01248	7.2
72.99192	1.8
73.02805	3.4
81.03330	2.7
83.01242	3.3
85.02839	3.3
86.76015	1.3
89.02319	4.4
93.03345	2.5
95.01270	2.8
97.02843	4.0
99.04404	2.0
101.02339	6.2
101.74849	1.5
106.02832	1.3
107.01277	3.2
109.02854	8.4
112.85142	1.3
113.02348	3.1
115.00260	1.4
117.03390	1.5
118.02903	2.8
119.03493	1.7
119.04927	1.6
121.02843	5.4
123.00749	2.3
123.04380	6.6
125.02325	12.4
130.24544	1.6
133.02855	18.4
134.02390	5.4
135.04436	5.3
136.01573	1.9
137.02348	12.4
138.03149	3.7
145.02884	3.1
147.03203	2.1
147.04431	3.7
148.03992	2.4
149.02373	7.2
150.03088	1.7
151.00288	6.8
151.03923	9.7
153.01888	2.1
159.04451	1.7
160.03989	4.3
161.02350	7.0
161.04527	1.6
162.01906	7.9
163.00327	7.3
163.02647	9.8
163.03963	6.1
164.03464	4.2
165.01762	6.9
166.02635	3.6
167.03409	10.6
172.04034	1.8
175.02628	2.5
175.03879	2.7
176.01021	1.8
176.03401	10.5
177.01906	9.3
178.05031	3.7
179.03455	10.5
187.04027	2.2
188.03383	2.6
189.01929	3.9
190.02664	1.5
190.05095	7.7
191.03427	3.5
193.01355	12.8
195.02968	1.6
197.04561	2.9
199.03999	1.7
200.03439	2.8
201.02002	1.6
203.03400	3.4
205.01353	3.5
206.04524	45.7
207.03006	2.3
207.04843	3.6
209.04509	2.4
213.05466	2.1
215.03320	1.9
216.02997	5.7
218.04538	5.6
219.03061	1.5
221.00815	3.3
223.02452	5.0
225.05551	2.7
227.03522	1.9
229.05170	1.9
230.04654	2.2
235.02473	3.1
236.05637	15.1
241.05092	4.1
248.05670	2.4
253.04961	2.9
255.02852	8.8
256.03574	3.3
257.04547	4.2
267.15884	2.2
269.04440	7.6
270.05310	5.5
271.06027	1.9
274.03580	2.9
283.02866	2.5
283.06177	5.5
284.03317	4.5
285.04047	8.3
292.08276	5.1
295.05850	1.5
297.03970	13.8
298.04779	27.9
299.05551	15.6
300.02768	1.7
301.03513	3.1
310.05594	2.7
310.09348	55.4
311.02380	2.3
311.05618	10.2
311.09613	5.9
312.06024	1.7
313.03516	14.5
313.06561	1.9
314.03851	2.7
316.05923	4.6
317.06900	1.8
323.05069	2.3
325.03375	2.4
326.04303	10.7
327.05032	14.7
328.05307	1.8
329.06445	3.6
331.04440	1.7
336.05640	2.1
339.04974	7.7
341.06516	3.9
342.06473	2.9
343.04581	6.2
343.10208	1.9
344.05292	2.6
356.04822	12.1
357.06174	5.6
366.06229	23.6
367.07202	1.8
369.06332	5.0
373.05676	3.1
384.07297	55.6
385.07614	7.2
386.09140	3.1
396.07199	15.6
403.10495	8.7
412.07959	1.8
414.08472	24.3
415.08475	2.3
429.08423	4.3
430.08994	17.5
431.09750	7.2
447.09250	9.0
448.09857	4.5
452.09985	3.8
470.10925	50.2
471.11246	7.6
488.12054	100.0
489.11935	15.3
489.23270	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	488.1199
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	83.9
60.66898	2.1
65.00211	3.4
69.70625	4.6
69.71035	9.3
71.01261	21.0
72.99188	1.8
73.02825	15.9
81.03341	2.4
83.01253	6.4
85.02833	7.8
87.00759	5.6
87.04406	2.7
89.02316	12.2
90.82944	1.9
93.24852	2.0
95.01264	5.7
97.02810	3.3
101.02322	29.2
103.03891	8.3
107.04871	3.5
109.02831	3.7
111.72705	2.2
115.03886	4.0
117.03332	9.5
118.02870	6.3
119.03435	5.4
119.04895	3.8
120.16466	2.3
121.02853	5.7
122.02363	19.0
123.00767	3.3
123.04411	4.0
125.02360	14.3
131.03392	4.2
132.04430	3.0
133.02856	10.1
134.02405	3.4
135.04419	5.6
136.01543	2.4
136.29721	2.0
137.02347	12.7
138.03120	7.3
139.03943	2.9
143.03426	6.2
145.04974	4.0
147.04352	2.5
149.02345	5.9
151.00258	4.7
151.03915	11.0
153.01836	3.9
158.02473	2.2
160.03883	4.9
161.02345	7.7
161.04417	3.0
162.01930	5.8
162.05536	3.2
163.00299	4.0
163.02637	9.1
163.03893	4.0
163.06015	42.1
164.03461	3.5
165.01843	13.6
166.02673	12.1
167.03419	10.8
167.42279	2.0
171.78197	2.4
175.03975	3.4
176.03458	17.3
177.01776	4.3
178.05048	3.4
178.99699	2.4
179.03427	12.9
188.03465	4.4
191.03418	3.5
193.01387	10.7
197.04504	3.3
205.01430	5.3
205.07092	10.5
206.02570	3.6
206.04514	59.8
207.04810	5.0
216.06598	3.3
236.05553	4.5
239.07405	2.5
241.05046	4.4
248.05557	5.3
253.05074	2.8
257.04562	3.6
269.04480	5.9
271.06107	6.6
281.04468	7.6
282.05191	11.2
283.06097	21.8
284.02942	2.9
284.05841	6.2
285.04031	9.7
295.06140	6.2
297.04044	20.2
298.04770	11.2
299.05469	21.4
311.05588	39.8
312.06186	4.8
313.07162	7.2
321.06567	2.8
322.07297	5.0
323.05624	9.0
326.09003	47.0
327.05118	42.0
327.09070	5.5
328.05426	4.0
338.06747	5.1
339.05154	6.6
340.08322	15.9
341.06491	20.8
350.06653	14.6
353.06720	4.0
357.06079	27.8
368.07733	96.8
369.05988	13.0
369.18903	3.1
370.09296	7.6
380.07709	9.3
398.08765	48.3
399.08282	9.0
429.17496	6.5
431.09808	24.1
447.09375	8.7
470.10721	18.4
488.12009	100.0
489.10556	26.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
55.27426	0.6
57.03322	1.1
58.33354	0.6
59.01233	0.8
61.98709	0.7
67.01762	2.7
69.86061	2.4
69.86470	1.2
78.95779	1.2
84.02499	0.7
85.02823	1.5
87.00749	8.6
111.00758	100.0
112.01099	2.4
144.37006	0.8
147.09869	0.6
173.00818	8.2
175.79524	0.8
178.50426	0.7
293.21228	0.8
304.20578	0.8
311.22244	1.9
406.21143	0.7
485.24359	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.2682
Annotation	Unknow
Peak:m/z	Relative Intensity
55.39790	1.1
59.01228	1.4
59.96880	1.1
69.30840	1.3
71.52484	1.7
72.59751	1.3
85.99781	1.2
88.03916	55.4
147.07993	2.9
149.09641	1.5
163.11195	3.1
187.11308	3.0
290.09171	1.2
300.22125	1.1
309.22449	1.5
337.21719	100.0
338.22092	14.3
344.01855	1.1
426.50839	1.3
486.27124	12.7
487.27414	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	487.1249
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71445	0.8
55.01763	0.9
57.01657	0.9
57.03326	6.9
59.01250	71.2
60.01592	0.9
61.98681	1.1
68.90015	0.9
69.03331	0.9
69.76762	2.4
69.77179	2.7
71.01254	11.4
72.99193	1.3
73.02833	2.8
74.67951	0.9
75.00706	1.4
75.57609	0.8
75.80317	0.8
78.95768	4.1
81.03344	1.0
83.01255	4.1
83.04880	1.3
85.02826	25.5
87.00768	1.6
88.03910	2.3
89.02308	5.0
93.99160	0.9
95.01244	0.9
96.95919	2.3
99.92469	3.2
101.02334	6.1
111.00756	8.1
113.02340	3.7
115.00262	2.7
115.91950	3.1
116.92747	14.6
121.02824	1.2
123.08037	1.1
125.02322	1.1
129.01854	13.7
131.01355	1.0
132.02100	1.2
133.02837	5.2
134.03651	1.4
135.98274	1.9
138.51947	0.9
147.86647	0.8
149.02298	2.1
152.99477	1.9
161.04443	2.6
166.02670	0.9
171.00542	2.1
174.29454	0.9
175.00272	7.3
177.01767	1.0
193.01413	1.8
197.11909	1.1
205.01578	1.6
205.03453	10.4
223.04395	2.9
224.04836	0.8
225.05295	1.0
251.03455	4.6
252.04088	2.0
255.03043	1.7
266.21201	1.1
267.03174	0.9
269.04489	1.4
271.02563	1.3
279.02908	2.1
280.03781	26.1
281.04193	3.7
282.05350	1.4
283.15530	1.3
284.03268	3.2
284.22324	1.7
285.03885	1.2
294.05313	2.1
297.04099	7.9
298.04831	17.8
299.05374	2.6
303.67075	1.0
307.02466	9.7
307.18893	1.4
308.03256	75.2
309.03867	11.8
309.07486	1.2
310.04642	2.9
311.05499	1.8
313.03513	1.7
313.07071	1.7
322.05042	2.1
323.05591	98.4
324.02692	5.9
324.06039	10.9
325.03445	3.4
325.07190	3.7
325.20117	1.6
326.04242	2.0
327.05011	2.2
337.03632	1.5
337.07309	1.1
338.04193	1.4
339.05081	1.2
341.06598	12.5
342.07306	1.0
350.04266	2.0
353.06754	5.1
359.03882	1.2
365.06668	4.3
373.25955	1.8
383.07657	2.4
409.09851	1.1
412.07968	15.1
413.08270	2.0
427.10336	100.0
428.10782	12.0
486.26999	1.6
487.08795	5.2
487.12344	9.7
487.25687	10.4
488.28928	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	485.2392
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03310	12.1
57.17807	4.9
59.01250	40.1
61.98710	8.7
66.38531	4.0
68.16848	4.0
69.37288	4.4
69.85696	22.4
71.01244	19.5
72.99176	100.0
73.02821	4.6
73.75653	3.8
75.00738	79.9
78.95783	13.2
83.01258	4.8
85.02824	8.5
87.00749	25.0
89.02322	6.9
91.27045	4.5
91.49387	4.0
97.02851	5.0
99.00767	6.0
100.76722	4.1
101.02298	8.8
111.04404	5.0
111.08019	5.1
113.99505	5.4
115.00252	9.9
121.10118	7.1
123.08083	4.7
123.32705	3.7
127.07533	6.8
129.01859	4.8
135.02873	14.7
135.04395	4.9
143.04541	10.5
147.02890	4.9
153.09120	8.9
161.05890	5.2
165.12784	16.0
171.10199	11.2
174.01636	35.8
175.02376	12.7
177.03282	13.7
179.10661	4.8
196.90823	5.0
210.42863	4.6
227.12906	4.9
241.14420	11.9
251.12805	5.1
253.14407	6.3
275.20187	19.6
293.21225	61.1
305.21158	24.0
315.19733	7.8
331.19113	7.6
333.20721	60.2
334.21274	7.6
345.20779	32.0
346.20938	5.5
347.18616	35.2
349.20276	29.8
351.21774	7.6
356.28098	13.0
365.19614	12.4
367.21216	58.0
368.21365	8.5
369.20447	5.3
371.18329	4.7
375.21570	5.5
387.21857	11.3
393.94968	4.7
405.22791	6.1
407.20728	6.0
423.24002	9.8
425.21884	20.7
443.22849	5.1
454.28342	5.1
485.23682	22.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	40.0
60.75455	5.7
69.85509	21.8
71.01258	16.8
71.04876	5.2
72.99179	100.0
75.00739	58.9
81.74741	5.4
83.04876	7.3
85.02794	7.4
87.00743	31.2
93.03297	6.4
98.20539	12.0
99.00714	9.1
108.02160	5.9
111.04366	9.2
111.07999	7.1
113.99470	11.1
129.01801	10.1
135.02844	8.7
141.09027	5.3
151.77943	5.2
153.09114	9.8
156.00603	5.5
165.12822	26.2
171.10109	7.2
174.01601	54.8
177.03287	5.9
195.13928	6.0
209.11697	8.3
221.11937	7.7
235.13510	9.8
236.54004	5.5
241.14377	15.9
249.14848	17.5
251.12811	5.6
267.12445	7.0
293.21219	82.6
294.21399	7.7
305.21112	29.6
306.21478	6.4
333.20599	29.4
345.20654	17.2
347.18695	11.0
349.20041	16.5
351.21719	15.7
367.21289	81.4
368.21512	8.9
405.22800	8.0
425.21722	23.8
485.23853	26.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.1776
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01764	2.7
59.01251	25.2
61.98690	2.4
71.01261	19.8
71.50167	3.0
71.83907	2.1
72.99171	4.1
73.02806	5.3
77.16150	2.4
85.02825	17.5
87.00742	4.3
89.02319	17.6
98.02355	3.0
101.02319	25.0
102.45798	2.2
112.58131	2.2
113.02365	5.0
119.03401	7.9
131.03360	3.4
141.16658	2.0
160.06319	7.3
161.04448	6.7
161.07111	46.4
175.08684	18.9
187.08678	4.3
189.05006	3.9
189.06638	75.8
190.06868	4.4
191.01878	7.1
199.80077	2.1
203.08203	17.8
203.11862	3.5
208.41273	2.3
209.02960	5.7
218.75638	2.6
221.06589	3.3
229.09871	5.7
305.11380	32.0
306.11707	3.1
392.84351	2.9
397.09576	2.7
485.17703	100.0
486.18152	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	485.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31765	1.6
53.48527	1.6
57.03325	7.6
59.01243	8.0
59.52641	1.9
61.98700	2.8
64.38705	1.6
70.03543	3.2
70.03944	5.6
71.01247	9.1
72.99177	82.8
75.00752	16.3
87.00751	14.5
89.02330	3.3
89.13131	1.8
95.04863	2.1
96.95863	2.3
97.06467	4.7
99.00757	3.0
101.02361	4.6
113.99455	1.9
115.00228	9.5
122.03719	1.8
123.08073	2.3
125.09586	4.3
127.07546	3.3
129.01862	1.8
135.02888	24.5
136.05190	1.8
139.07500	2.5
142.99719	2.2
149.09538	2.4
157.01334	2.3
165.12700	4.0
167.10812	2.4
173.00798	2.5
174.01631	10.9
175.02383	18.5
177.12697	3.0
179.10556	2.2
185.11717	4.4
191.14177	2.9
197.11807	1.8
205.12259	5.0
213.11235	2.8
213.14996	2.7
223.13338	23.4
224.13647	2.2
225.11249	9.3
233.69781	2.0
235.13383	14.3
237.11298	4.3
237.14850	2.1
239.12938	2.4
241.14410	4.1
245.56323	1.9
254.42741	1.7
279.12305	4.3
293.21201	100.0
294.21695	10.0
305.21191	24.0
306.21463	3.8
315.19595	15.9
321.20645	4.0
333.20645	39.0
333.24609	2.1
334.21188	2.7
345.20682	30.7
346.20792	2.8
349.20166	31.4
350.20386	4.1
351.21661	23.1
365.19662	14.7
366.19839	2.6
367.21243	31.4
368.21582	3.5
381.22815	5.5
387.21512	2.5
412.84528	2.0
425.21490	4.4
441.24838	4.7
449.78833	2.0
485.23572	3.3
485.33069	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	485.1713
Annotation	Haplodimerine
Peak:m/z	Relative Intensity
58.02841	16.9
59.01242	17.3
60.81293	2.2
63.66163	1.9
64.98226	2.0
66.02611	1.8
66.03347	3.3
69.67541	6.1
69.67955	5.1
71.01247	10.2
72.99155	2.4
73.02818	2.7
74.02345	30.7
78.95748	2.2
82.02872	4.1
83.01231	1.7
85.02816	14.0
86.02329	11.9
86.06000	2.6
86.12460	1.8
87.00746	3.5
87.05516	6.4
88.03941	2.0
89.02319	4.7
90.80823	1.8
92.35641	1.7
94.06487	2.0
96.99799	5.5
97.03941	2.2
99.05510	29.6
101.02328	4.8
101.07081	6.9
102.05485	4.5
108.87291	2.1
109.03937	6.0
109.07605	2.1
111.05547	3.7
112.03929	1.9
113.02303	5.4
117.03350	3.3
117.48560	1.7
123.05533	3.4
125.03580	3.0
126.03718	38.2
127.05016	4.8
128.03426	78.8
129.01910	2.5
129.03740	2.0
133.02846	4.9
135.05515	11.4
137.02382	2.3
137.07060	2.3
141.06584	5.3
143.04524	100.0
144.04866	3.0
145.06108	4.7
146.04503	7.4
153.06606	6.3
161.02441	2.4
161.04521	3.6
163.24628	1.9
166.09763	6.2
167.04535	4.4
167.08188	5.9
179.04523	28.4
184.10829	2.3
185.05621	4.8
192.07594	2.5
197.05569	3.7
206.02138	3.6
209.02991	2.1
210.08789	28.3
210.10587	3.4
211.09225	2.0
212.07465	8.6
214.12726	2.3
215.97256	2.6
217.01350	3.7
236.06845	2.0
254.07797	52.0
255.08273	3.0
272.08878	66.0
273.09372	2.7
295.10983	2.7
297.04123	3.1
299.05453	2.1
327.05078	14.8
356.12808	10.1
357.06195	2.9
391.12811	8.5
435.12085	3.7
447.09235	11.3
467.15762	22.7
468.15591	3.9
485.11096	6.2
485.17056	87.2
486.10925	4.1
486.17520	13.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49430	0.8
58.02851	10.8
59.01246	3.9
66.03361	1.7
70.99043	2.1
71.01256	1.2
72.00786	1.6
72.99198	0.9
74.02343	27.7
78.95783	2.3
81.04453	1.7
82.02856	2.9
85.02821	1.7
86.02338	8.9
86.05988	1.8
86.98981	2.5
87.05511	8.4
90.00073	1.2
92.45415	0.8
93.43700	0.9
97.03922	4.2
98.02343	0.9
99.05518	21.8
101.02316	1.5
101.07094	4.1
102.05482	4.3
105.10625	0.9
107.06032	1.7
109.03953	4.2
109.07609	1.1
111.05524	2.3
112.03926	3.0
113.03458	1.2
115.00135	0.8
116.01654	2.4
120.01147	1.4
123.05573	2.3
123.08037	2.9
124.03939	2.1
125.03448	3.3
126.01876	1.0
127.05019	5.5
128.03418	65.9
129.03798	2.4
131.04527	1.3
135.05539	6.9
137.07088	1.8
141.06569	6.0
143.04518	86.5
144.04878	1.8
145.06104	4.1
146.04482	8.8
150.04227	0.9
152.07040	1.1
152.99474	2.4
153.06535	6.5
155.08131	1.2
156.40025	0.9
160.00638	26.2
166.09731	5.6
167.04515	5.2
167.08188	3.3
170.03218	2.0
171.04004	1.5
177.03317	11.6
179.04532	20.1
180.04921	0.9
181.06133	2.2
184.10808	1.2
185.05606	3.6
192.07773	2.2
197.05598	4.7
198.08771	1.3
210.08766	18.0
211.09096	1.0
215.22758	0.9
220.40823	0.8
220.64441	0.9
228.10060	0.8
242.07648	1.9
243.81104	0.8
254.07806	33.5
255.08005	1.4
272.08868	46.1
273.09177	2.8
288.06546	13.6
289.06946	1.3
306.07629	100.0
307.08002	7.7
452.85944	1.0
475.87372	1.1
484.21613	3.0
485.23755	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34695	1.2
51.93158	0.9
58.02851	13.2
59.01250	19.0
59.18946	1.1
60.01585	1.7
66.03370	1.4
69.12079	1.2
70.02869	2.1
71.01254	4.0
72.00790	1.5
72.99163	1.7
73.02813	1.8
74.02348	28.5
78.95782	4.9
80.03630	1.2
81.04475	2.0
82.02846	3.4
85.02821	3.6
86.02351	10.3
86.05979	2.4
86.98940	2.2
87.05486	8.4
88.03901	1.3
89.02323	1.9
90.00069	3.2
96.04412	1.9
96.95868	1.3
97.03946	3.5
98.20592	2.9
99.05521	23.2
101.02331	2.6
101.07092	3.7
102.05479	1.7
107.06040	2.3
109.03957	3.7
111.05509	1.6
112.03929	3.1
113.02338	3.3
116.01656	1.6
122.05984	1.5
123.05523	2.4
123.08046	2.6
124.03938	1.5
125.03432	2.8
127.05025	4.6
128.03430	73.7
129.03754	2.7
135.05536	6.8
135.08066	2.5
139.05000	1.2
140.17140	1.2
141.06598	6.2
143.04524	91.5
144.04871	1.7
145.06085	3.4
146.04495	8.2
152.07028	2.0
152.99501	1.7
153.06548	5.9
155.08112	1.8
160.00650	27.2
166.09781	4.0
167.04512	5.4
167.08206	4.7
177.03323	11.9
179.04518	19.4
181.06149	1.8
184.10918	1.5
185.05635	2.8
197.05588	3.6
198.05583	1.1
210.08763	18.0
228.10091	1.7
229.21791	1.2
242.07791	1.7
254.07800	30.9
255.08028	1.9
272.08896	46.7
273.09161	2.9
288.06558	16.5
306.07642	100.0
307.07846	7.0
484.17535	1.5
485.23380	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63731	0.8
57.11750	0.8
58.02846	12.6
59.01247	12.6
61.98684	1.2
68.35088	0.8
69.42785	7.8
70.02864	1.2
71.01256	7.4
72.00768	2.5
72.99178	14.3
73.02814	2.5
74.02339	28.3
75.00745	12.6
77.41133	0.7
81.04408	1.2
82.02859	2.9
83.01257	2.7
84.04442	1.3
85.02828	3.4
86.02348	7.2
86.06014	1.1
86.98970	2.0
87.00743	2.9
87.05505	4.7
88.03919	1.9
89.02310	1.9
90.00049	2.0
94.06050	0.8
96.04452	1.0
96.95902	3.5
97.03942	3.0
98.20634	1.5
99.05514	20.8
101.02322	3.2
101.07068	2.5
102.05507	2.8
107.06014	1.5
109.03946	2.3
111.04390	1.0
112.03938	3.1
113.02310	3.7
113.03471	1.0
113.99472	2.7
115.00225	2.0
116.01675	1.7
120.01156	1.7
123.05511	2.1
123.08023	2.1
125.03454	2.1
127.05005	4.6
128.03421	62.0
129.01915	1.5
129.03758	1.3
129.99570	1.2
131.04495	1.0
135.02898	3.4
135.05516	4.7
137.07114	1.6
139.03883	1.4
141.06569	6.3
143.04521	83.9
144.04909	1.1
145.06114	3.2
146.04489	8.2
153.06607	5.5
155.08138	1.1
160.00638	26.0
163.11127	1.2
166.09804	3.5
167.04570	4.5
167.08183	3.1
171.04036	1.2
171.07664	1.4
171.10208	2.2
174.01604	45.8
175.02335	1.5
177.03310	11.3
179.04533	15.1
181.06076	1.3
182.05791	4.6
184.10942	1.5
185.05573	3.5
192.07744	1.2
197.05614	2.0
198.08772	1.9
199.07199	1.0
210.08774	17.7
213.03380	1.0
231.04463	1.1
242.07443	1.8
254.07794	27.0
255.08017	1.2
267.12247	1.9
272.08868	45.0
273.09177	2.5
275.20068	1.9
288.06601	12.3
305.21295	9.0
306.07626	100.0
307.07980	6.6
331.19119	1.1
347.18619	3.3
349.20139	5.0
367.21378	12.9
425.21423	3.6
484.21378	1.5
485.23566	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	483.3115
Annotation	Sodwanone B
Peak:m/z	Relative Intensity
56.06134	1.0
70.71850	1.6
70.72215	2.0
79.05446	0.9
80.71806	1.0
111.04388	9.9
114.95992	0.9
115.16516	0.9
123.08035	1.6
131.84773	0.9
152.99506	1.1
163.03851	2.1
166.02643	1.9
177.09157	1.4
194.05757	1.3
205.05147	1.3
205.08675	5.9
205.35358	1.2
207.06526	9.3
208.07289	8.0
213.20732	1.0
215.06929	1.0
219.06534	4.2
221.08209	5.4
229.12239	1.6
231.06561	3.1
231.13719	1.4
233.08145	35.8
234.08479	3.0
245.08231	1.5
247.13292	3.0
255.23174	1.9
257.11795	2.5
261.11282	1.9
275.12878	90.6
276.13336	12.7
287.12857	2.2
289.14508	4.0
359.18549	3.1
371.18604	28.8
372.18762	3.6
399.21701	1.5
414.24179	6.6
466.92639	1.0
483.31149	100.0
484.31552	17.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	100.0
61.98712	12.6
79.40936	2.1
99.99531	2.0
107.59554	2.1
110.02382	2.5
111.00765	2.3
140.79094	2.1
147.04408	85.7
148.04781	4.7
174.22427	2.0
176.77094	2.3
482.48956	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	484.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
55.53151	1.5
58.02841	11.7
59.01246	17.4
61.98684	2.5
63.85777	1.4
66.91316	1.6
68.24072	1.3
69.22771	8.9
69.23195	6.3
71.01253	7.9
72.00748	2.1
72.99185	23.2
73.02802	2.1
74.02341	31.0
75.00746	12.2
78.95773	3.2
82.02841	2.4
83.01271	2.5
85.02814	5.9
86.02336	10.5
86.05974	2.3
87.05501	6.6
89.02310	3.0
90.00025	3.9
95.01276	1.6
96.95881	4.5
97.03957	2.6
99.00768	2.2
99.05518	24.0
101.02322	3.4
101.07103	2.5
102.05472	3.6
107.06010	1.8
109.03966	4.6
111.05518	1.9
112.03870	3.4
113.02322	4.5
113.99510	2.0
115.00252	2.9
116.01646	1.5
123.05523	3.7
123.08054	3.3
125.03477	2.8
127.05017	5.4
128.03426	66.8
135.02884	3.3
135.05486	5.5
137.07117	2.1
141.06558	6.1
143.04521	94.8
144.04849	2.2
145.06076	2.6
146.04488	8.6
153.06573	4.9
160.00641	26.5
166.09711	2.9
167.04536	6.5
167.08141	3.2
171.07645	2.0
171.10184	3.8
172.05930	1.5
174.01601	36.1
175.02155	2.3
177.03316	18.5
179.04504	17.0
181.06018	1.8
182.05688	3.2
185.05629	3.4
192.07654	2.5
197.05583	3.9
210.08780	13.9
242.07730	2.7
254.07782	29.9
255.08073	2.8
267.12323	2.2
272.08865	42.7
288.06610	13.5
305.21317	10.2
306.07626	100.0
307.07901	6.6
331.37503	1.6
347.18909	3.3
349.20044	3.8
367.21210	14.4
425.21744	4.5
484.21494	2.4
485.23703	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2727
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00121	0.4
70.80306	0.6
70.80648	0.9
78.95770	16.4
81.43446	0.4
81.75809	0.4
96.96849	1.2
104.53384	0.3
150.97910	0.7
152.99481	27.6
153.99854	0.6
166.40855	0.4
166.69920	0.4
167.68611	0.4
171.00481	1.2
173.29146	0.4
227.03207	3.6
237.22433	0.4
245.04169	0.9
255.23256	100.0
256.23615	8.3
335.81839	0.4
391.22372	0.9
483.27243	55.7
484.27634	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	483.2729
Annotation	Unknow
Peak:m/z	Relative Intensity
66.08649	0.3
68.78529	0.3
70.42635	0.3
71.23663	0.5
78.95776	7.5
96.96851	0.5
120.51337	0.3
149.96024	0.3
150.97906	0.3
152.99489	16.2
171.00537	1.5
227.03259	3.3
245.04254	1.0
255.23268	100.0
256.23596	10.9
264.67581	0.3
283.97180	0.3
356.93320	0.3
372.18961	0.3
475.50998	0.3
483.27264	30.1
484.27640	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.3113
Annotation	Sodwanone B
Peak:m/z	Relative Intensity
52.83184	0.8
61.84521	0.7
69.04194	0.7
70.13467	0.7
70.42687	0.7
71.57118	0.7
77.97288	0.7
79.78039	0.7
91.42883	0.8
101.05727	0.8
111.04424	6.3
128.84448	0.9
153.02473	0.8
194.05608	1.0
205.08592	2.6
207.06548	6.9
208.07310	4.2
219.06496	2.7
221.08040	2.7
229.12093	0.9
229.20193	0.9
231.06610	1.9
231.13731	1.0
233.08118	21.9
234.08530	1.3
247.13371	1.4
257.11771	1.2
259.97287	0.8
261.11221	4.4
275.12869	50.2
276.13501	7.5
287.12885	1.7
289.14539	2.7
359.18570	1.9
371.18564	18.4
372.18945	2.6
414.24194	1.2
483.31125	100.0
484.31546	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	483.2726
Annotation	Unknow
Peak:m/z	Relative Intensity
58.65564	0.4
59.01246	0.4
65.97193	0.4
67.80116	0.4
70.79943	1.0
78.95770	18.9
79.09030	0.3
96.96835	1.7
115.77943	0.4
134.06026	0.3
148.67511	0.4
152.99490	33.6
153.99811	0.6
171.00476	1.0
181.49364	0.4
225.30963	0.4
227.03215	4.9
245.04318	1.2
255.23259	100.0
256.23611	10.5
296.52161	0.4
365.32224	0.4
391.22729	0.9
401.66861	0.4
483.27252	56.1
484.27628	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	483.2599
Annotation	Unknow
Peak:m/z	Relative Intensity
56.60899	3.1
57.41111	3.2
59.01244	15.7
61.98702	14.6
66.90796	3.1
71.01255	6.7
71.50042	4.7
71.50705	3.4
72.99181	3.1
75.00745	12.4
77.87906	3.0
78.95786	4.3
83.04883	3.7
85.02825	6.1
87.00743	10.4
95.04934	3.5
103.00247	11.5
111.00756	9.7
111.08016	5.2
112.98676	4.3
113.99473	11.5
115.00260	21.1
121.02801	7.5
131.70241	3.6
135.04445	3.4
142.99789	4.4
147.04391	4.7
151.11188	5.9
152.99484	3.7
154.99831	3.9
165.12759	3.7
167.32091	4.2
173.00822	4.9
174.42339	3.5
175.02420	25.6
177.12688	5.2
178.09927	11.8
191.05525	23.7
204.11516	3.6
207.13930	4.6
223.13243	3.3
225.11276	6.4
230.13142	4.6
264.06799	3.1
285.22314	3.6
291.19470	3.5
293.21213	4.0
295.22452	3.7
301.21719	100.0
302.22086	11.5
309.20688	7.9
309.24393	12.5
317.21201	14.0
319.19327	6.2
319.22760	34.3
320.23053	4.6
321.20944	4.1
321.24411	10.1
329.21268	50.0
330.21582	5.8
335.22330	10.7
345.20700	13.1
347.18274	6.7
347.22220	55.0
348.22629	5.1
361.19827	5.9
361.23947	6.9
363.21765	10.0
365.19406	5.5
365.23422	6.1
369.21878	5.7
373.20120	62.6
374.20599	10.2
377.22992	4.0
379.24878	7.2
391.21252	18.1
403.21295	8.8
405.22784	73.5
406.23065	9.6
415.21289	7.0
421.25778	6.4
433.22156	10.8
439.26990	7.1
465.20944	6.7
483.25772	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	483.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
56.93259	0.9
59.01250	11.4
71.01243	13.7
71.49621	1.5
72.99173	2.0
73.02808	1.6
75.00753	2.8
78.95798	1.8
83.01253	3.2
85.02846	2.4
87.00745	23.9
87.01282	1.3
91.14221	1.0
95.04894	1.6
99.00761	3.0
100.00254	1.2
111.00755	3.7
113.02374	1.3
115.00253	55.9
116.00638	1.3
125.09637	1.2
129.20934	1.3
139.00276	6.1
152.99484	1.9
157.01305	7.8
174.01605	1.2
175.02400	100.0
176.02711	3.0
176.04204	1.2
176.06018	1.2
185.11823	2.5
199.73221	1.2
209.11783	1.4
211.13495	1.2
221.11766	2.5
223.13316	2.5
225.90532	1.1
235.13194	1.4
239.12939	2.4
249.11211	1.2
267.12375	3.8
303.19662	1.3
319.19208	1.6
319.22656	1.3
343.18726	1.2
347.22311	2.1
365.19574	3.3
373.24768	1.1
383.20624	2.0
423.20090	2.4
447.19986	1.7
483.09106	1.4
483.21939	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	483.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37210	0.2
55.76426	0.2
57.03321	1.9
59.01238	1.1
61.98700	1.2
67.01749	2.6
71.01260	0.4
71.05546	0.6
72.73820	0.2
72.99190	0.2
75.00747	0.3
85.02826	1.2
87.00750	6.4
96.28340	0.2
101.02358	0.3
111.00764	100.0
112.01101	3.3
112.98685	0.3
115.00217	0.3
122.51294	0.2
129.01860	0.6
132.97878	0.2
135.02888	0.7
136.09845	0.2
154.99806	0.5
159.82018	0.2
173.00824	7.6
174.01315	0.3
175.02396	0.5
211.13446	0.3
227.12970	0.3
249.75836	0.2
291.19687	0.5
293.21268	0.7
309.20697	1.2
321.20618	0.3
323.64212	0.2
324.60391	0.2
347.22342	0.2
347.91269	0.2
358.37738	0.2
483.22076	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.0698
Annotation	Unknow
Peak:m/z	Relative Intensity
57.21251	2.0
59.01244	22.5
61.98692	6.6
71.01264	14.7
71.50397	1.9
72.99168	2.6
73.02815	7.6
78.40587	1.8
78.95776	2.5
83.01252	3.2
85.02824	5.8
89.02318	11.3
96.95809	2.6
96.96831	2.3
101.02331	8.6
109.02831	2.1
113.02330	3.3
115.00225	2.7
119.03345	1.9
133.02834	13.4
135.04422	2.3
135.27779	2.3
150.03081	3.0
161.02339	2.7
161.04475	3.2
163.00266	4.6
163.03917	3.2
165.01839	3.1
175.03935	3.8
199.03964	3.0
201.01865	3.3
239.27213	1.8
253.04912	3.5
269.04395	3.0
281.04868	2.2
284.03223	2.4
285.03989	26.6
297.04016	50.8
298.04614	9.4
299.05560	25.4
301.03531	3.8
313.03333	4.8
325.03513	35.7
326.03983	3.7
327.05087	41.3
328.05252	2.4
343.04578	100.0
344.04944	8.9
355.04431	2.8
357.06046	3.5
411.07098	8.1
420.15573	2.5
429.08249	45.5
430.08545	8.9
447.09393	4.0
483.09521	7.1
483.22891	4.7
484.09830	2.5
484.18274	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	483.0698
Annotation	Unknow
Peak:m/z	Relative Intensity
57.21251	2.0
59.01244	22.5
61.98692	6.6
71.01264	14.7
71.50397	1.9
72.99168	2.6
73.02815	7.6
78.40587	1.8
78.95776	2.5
83.01252	3.2
85.02824	5.8
89.02318	11.3
96.95809	2.6
96.96831	2.3
101.02331	8.6
109.02831	2.1
113.02330	3.3
115.00225	2.7
119.03345	1.9
133.02834	13.4
135.04422	2.3
135.27779	2.3
150.03081	3.0
161.02339	2.7
161.04475	3.2
163.00266	4.6
163.03917	3.2
165.01839	3.1
175.03935	3.8
199.03964	3.0
201.01865	3.3
239.27213	1.8
253.04912	3.5
269.04395	3.0
281.04868	2.2
284.03223	2.4
285.03989	26.6
297.04016	50.8
298.04614	9.4
299.05560	25.4
301.03531	3.8
313.03333	4.8
325.03513	35.7
326.03983	3.7
327.05087	41.3
328.05252	2.4
343.04578	100.0
344.04944	8.9
355.04431	2.8
357.06046	3.5
411.07098	8.1
420.15573	2.5
429.08249	45.5
430.08545	8.9
447.09393	4.0
483.09521	7.1
483.22891	4.7
484.09830	2.5
484.18274	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	483.0702
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	2.4
63.07438	0.4
63.37047	0.4
65.78362	0.5
69.41013	2.0
69.41454	2.0
70.37117	0.5
71.01250	2.0
73.01983	0.5
73.02821	0.8
83.01263	1.0
85.02824	1.6
87.00775	0.7
89.02306	0.7
93.03300	0.6
94.66638	0.5
97.02801	0.6
98.56676	0.4
101.02361	1.2
106.93478	0.4
109.02846	2.1
111.55402	0.5
113.02317	0.9
119.04900	0.8
121.02835	1.6
125.02354	1.6
133.02835	11.6
134.03584	0.7
135.04422	1.2
137.02361	0.7
139.03944	0.5
142.83206	0.5
145.02782	0.5
145.86340	0.5
147.04414	1.3
148.01555	0.7
149.02324	2.1
151.03947	1.0
160.48650	0.5
161.02356	1.6
163.00278	2.1
163.03857	3.2
165.01889	2.6
175.03926	4.0
177.01891	1.2
179.03445	0.6
190.02594	0.6
191.03459	2.2
193.01375	2.1
199.03955	1.7
201.01939	0.8
203.03494	0.5
213.05476	1.2
215.03491	0.6
224.04654	0.6
225.05515	1.3
227.03499	0.8
227.07138	0.6
229.05132	0.6
231.06514	0.6
240.04214	1.1
241.04976	0.8
253.05032	1.2
255.02843	0.7
255.06625	1.1
257.04446	0.6
269.04547	1.1
270.05167	1.0
281.04559	0.9
284.03287	10.7
285.03998	7.6
297.04022	18.1
298.04767	10.8
299.05600	19.8
300.06033	1.5
309.04059	1.1
311.05533	2.9
324.03012	0.6
325.03476	1.3
327.05099	100.0
328.05463	10.5
339.05093	3.6
341.06863	0.7
357.06183	26.8
358.06577	2.4
369.06119	2.2
393.05994	1.2
447.09317	70.1
448.09576	9.0
482.26804	5.9
483.11462	0.5
483.27286	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	481.257
Annotation	Unknow
Peak:m/z	Relative Intensity
69.24471	7.7
78.95776	47.5
96.96828	3.1
97.83987	0.8
146.84370	0.7
152.99493	66.6
153.99857	1.1
171.00565	19.7
205.12968	0.8
227.03218	3.0
245.04289	100.0
246.04523	4.5
253.21703	57.7
254.22031	6.9
255.23268	1.5
256.23672	1.4
420.28781	0.9
481.25674	33.5
482.26089	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	481.2569
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71181	0.7
57.02073	0.6
57.98062	0.6
62.58787	0.6
71.20559	0.8
78.95767	40.4
79.26321	0.7
83.89566	0.8
95.71445	0.6
96.96815	3.4
152.99484	59.9
153.99812	1.0
164.43130	0.7
171.00563	17.6
227.03194	2.7
245.04263	100.0
246.04623	3.5
253.21690	65.8
254.22107	6.4
369.83148	0.7
481.25702	39.4
482.26083	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	481.259
Annotation	Strychnofoline
Peak:m/z	Relative Intensity
57.03314	0.5
57.22834	0.4
57.30850	0.4
69.24900	4.6
71.01255	0.5
74.13354	0.4
77.41544	0.5
78.30778	0.5
78.95792	0.7
98.20548	1.2
101.97492	0.4
107.43774	0.4
109.02903	0.5
112.97208	0.4
119.04909	1.0
121.02866	0.6
123.04369	0.7
145.02867	8.5
149.02328	1.3
150.03157	0.9
152.99480	0.8
157.06454	0.8
177.01846	10.9
178.02515	1.6
183.08041	0.6
191.03416	0.9
197.09637	0.5
211.07596	1.8
214.06189	0.6
215.07036	0.5
219.06543	1.3
227.07080	8.2
228.07732	0.5
241.05042	3.1
242.05775	2.2
243.06470	1.6
253.21744	1.7
255.06596	87.8
256.07123	12.7
257.07571	0.7
267.06555	0.6
269.08139	4.2
269.15475	0.9
275.09225	1.0
309.20587	0.6
316.22980	0.5
321.18604	1.1
335.12912	0.7
342.14294	0.6
353.13916	9.4
354.14377	0.9
355.15509	0.7
358.29434	0.5
384.19077	0.5
395.18753	0.6
397.16351	0.7
403.21408	0.5
411.18100	3.2
412.18826	5.2
413.19321	0.8
437.26874	0.6
481.25916	100.0
482.26260	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	481.2591
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03309	0.7
57.21547	0.4
61.98709	0.5
67.31312	0.4
69.24319	1.2
69.24725	3.0
79.01767	0.8
86.25134	0.4
105.01997	0.4
107.06820	0.4
110.18429	0.5
119.04913	1.2
121.02829	1.2
123.04308	0.5
130.57060	0.4
145.02847	10.1
146.03162	0.6
149.02339	1.5
150.03104	1.3
152.99428	0.7
157.06366	0.7
177.01840	11.3
178.02554	1.6
191.03409	1.1
211.07602	1.6
213.05382	0.5
214.06314	0.5
219.06519	1.1
227.07095	7.7
228.07712	0.5
241.05051	3.3
242.05737	2.3
243.06509	0.7
253.21773	1.0
255.06590	82.9
256.07120	12.9
269.08182	4.3
269.15613	1.1
270.78073	0.5
275.09171	1.1
291.19443	0.7
321.18555	0.8
353.13919	9.0
354.14191	1.2
355.15424	1.3
395.18878	0.6
411.18066	2.3
412.18906	4.0
413.18967	0.6
437.27026	0.8
480.38400	0.5
481.25928	100.0
481.99353	0.5
482.26279	18.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2439
Annotation	Unknow
Peak:m/z	Relative Intensity
56.21657	1.2
59.01251	7.4
60.08358	1.1
67.01136	1.2
71.01244	2.5
72.99197	2.2
73.02831	1.6
75.00739	14.0
80.02565	1.3
89.02317	1.8
93.03336	2.4
93.06965	1.7
103.00243	10.5
108.02078	1.7
109.02869	1.9
109.06495	1.9
111.07999	1.7
119.04908	1.8
121.02856	5.3
123.00794	3.1
123.08084	1.6
135.04440	4.0
137.02339	2.4
145.02823	4.6
145.06454	1.7
147.04431	8.5
148.05269	2.2
149.02322	4.3
149.06004	2.4
151.11221	1.7
159.04424	2.0
161.02444	2.2
161.05968	5.5
163.03836	1.7
163.07526	1.7
171.04425	4.5
172.05145	3.1
173.02324	2.6
173.05919	3.1
175.02405	4.2
175.03828	1.9
175.07590	5.2
176.08311	5.1
177.05402	1.7
177.12611	1.5
179.03397	5.4
179.14268	1.6
184.69688	1.4
186.06706	1.9
187.03964	3.8
187.07591	3.4
191.07077	2.3
192.07851	3.1
200.08327	2.2
203.14339	2.0
205.05005	4.5
215.10753	2.0
219.06561	8.2
219.10191	3.2
229.15961	1.7
230.13081	23.7
231.13651	4.5
257.11548	1.8
258.12582	5.0
271.17200	1.6
271.20444	2.8
273.22217	1.9
275.12891	3.7
276.13733	3.9
283.20618	4.7
290.15250	2.2
297.18536	3.8
299.20117	53.8
300.20560	7.3
302.11505	2.3
309.18613	2.6
315.19632	7.4
317.17648	2.6
317.21185	16.2
318.21555	1.7
319.11780	1.8
325.18082	9.9
327.19638	50.0
328.20102	5.0
332.12512	4.2
333.20709	7.4
334.14215	9.9
343.19009	18.6
344.19357	2.9
345.16672	2.6
345.20685	33.2
346.20981	3.5
353.17429	2.7
359.18436	4.1
359.22311	8.1
361.20346	9.4
371.18597	58.4
372.18881	5.5
375.21677	2.9
377.23282	4.1
387.21780	2.6
389.19629	15.5
390.19913	1.8
401.19519	9.6
403.21210	100.0
404.21527	18.2
413.19705	7.4
421.22202	5.7
431.20709	10.5
464.30569	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1349
Annotation	Catalposide
Peak:m/z	Relative Intensity
52.79965	1.1
65.03815	1.4
70.24883	2.4
70.25277	4.3
71.37249	1.2
72.72178	1.1
76.30337	1.0
81.03299	2.3
83.04895	4.0
85.02840	1.7
93.03332	34.3
94.03645	1.2
96.14034	1.0
102.55435	1.1
111.04386	11.3
117.03383	1.2
119.04914	94.1
120.05238	4.5
137.01266	1.6
137.02328	28.6
138.02692	1.4
145.02866	7.6
146.98714	1.0
155.03416	20.0
156.95256	1.2
163.03914	100.0
164.04208	5.1
286.78818	1.1
319.08212	70.0
320.08536	6.8
325.09232	2.1
361.09213	2.2
481.13550	26.4
482.13770	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	481.0989
Annotation	Unknow
Peak:m/z	Relative Intensity
55.87312	11.7
57.43327	9.2
59.01241	52.6
61.72629	9.3
61.98703	9.5
62.64848	9.7
65.00196	10.6
66.80486	9.5
69.03323	17.5
69.72032	41.7
69.72446	20.5
71.01246	25.5
75.00788	11.3
81.03319	23.5
83.01259	25.1
85.02826	27.5
93.03350	18.6
95.01260	33.8
95.04918	11.5
97.02852	41.5
98.19897	16.0
99.00751	61.8
99.04417	21.0
102.98486	15.9
107.01260	18.6
109.02832	73.0
111.00774	44.7
113.02318	21.7
121.02853	34.9
123.04411	31.3
125.02340	95.2
133.02803	16.6
135.04396	14.1
137.01373	10.0
137.02324	67.0
139.00287	17.5
139.03888	22.2
141.01799	27.4
147.00731	13.5
147.04440	13.3
149.02374	47.7
151.00273	27.9
151.03868	26.6
153.01851	57.5
161.02287	18.5
163.00278	36.7
163.03938	21.9
164.00978	12.9
165.01855	82.1
166.02544	19.6
167.03407	100.0
169.01349	16.0
175.03931	18.9
177.01852	54.0
177.23036	10.2
181.01350	37.9
183.02898	31.1
189.01857	22.5
190.99857	16.0
191.03355	29.7
193.01355	97.2
195.02893	32.0
197.04468	16.6
203.03448	13.8
205.01361	38.7
207.02917	29.5
209.00893	85.8
211.02383	12.1
217.01376	20.0
217.05077	13.4
219.02789	24.3
221.00807	29.1
223.02417	49.4
223.04373	14.2
231.02962	22.3
235.02483	96.6
239.01935	32.0
241.03430	17.3
245.04482	20.7
245.06813	18.6
246.95256	13.4
247.02325	13.4
251.01929	58.2
257.04459	14.3
259.06033	13.9
267.01434	27.5
273.04019	15.9
283.04767	11.8
287.05188	22.5
287.07996	21.5
288.06439	11.9
313.03342	19.2
314.04324	13.1
315.04935	16.1
317.03317	13.2
331.04449	32.0
339.07571	12.0
341.02930	13.7
343.04791	16.0
345.08319	26.2
355.06699	20.0
359.04028	40.4
377.05209	69.4
389.04919	20.8
407.05759	22.1
436.09830	13.0
463.08722	33.4
481.09866	71.4
482.10483	34.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2812
Annotation	Unknow
Peak:m/z	Relative Intensity
58.33019	0.4
61.98701	100.0
70.72328	1.3
78.95774	2.5
82.50786	0.5
124.75497	0.5
138.54562	0.5
160.65256	0.5
283.26410	5.2
284.26776	0.9
480.31271	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	480.3094
Annotation	LPE(18:0/0:0)
Peak:m/z	Relative Intensity
55.51324	0.4
58.49189	0.4
61.98700	9.2
71.15184	1.2
71.79237	0.4
78.95771	20.1
83.88470	0.4
91.70248	0.4
121.99965	0.9
140.01114	4.7
152.99519	2.7
196.03719	9.9
206.14436	0.4
214.04788	2.2
223.71207	0.4
255.23111	0.4
283.26398	100.0
284.26758	11.2
335.30426	0.5
480.30920	28.7
481.31223	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	480.3094
Annotation	Unknow
Peak:m/z	Relative Intensity
62.96278	0.1
69.94180	0.1
69.94566	0.1
71.01289	0.1
74.17680	0.1
78.95775	20.4
96.96826	0.4
97.10735	0.1
104.97346	0.1
111.41409	0.1
121.42293	0.1
122.98425	0.1
134.98405	0.2
150.97935	0.1
152.99493	2.4
153.99953	0.1
168.04222	3.2
169.04483	0.1
171.00562	0.1
175.65425	0.0
194.05815	0.1
200.36433	0.1
224.06883	8.6
225.07312	0.3
237.22174	0.2
242.07941	2.1
253.21750	0.1
255.23260	100.0
256.23599	9.8
281.24557	0.1
282.25195	0.2
283.25674	0.2
323.61469	0.1
380.15268	0.1
391.22290	0.1
480.30920	21.7
481.31281	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	481.0987
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01775	2.9
57.03305	3.7
59.01249	25.5
60.74853	2.7
64.59771	2.5
65.00187	3.8
68.88895	2.2
68.99686	3.0
69.03321	12.4
69.32536	19.4
71.01241	17.0
73.02812	5.7
80.55643	2.6
81.03311	15.7
83.01269	12.9
85.02805	10.7
89.02298	5.0
93.03323	17.7
95.01253	7.0
95.04908	7.3
97.02821	25.8
99.00744	17.0
99.04388	10.1
101.02305	11.6
105.03401	2.5
107.01273	4.9
107.04897	3.2
108.02036	4.4
109.02835	20.2
111.00751	21.2
111.04418	5.0
113.02317	10.8
117.03304	8.1
119.04890	4.5
121.02835	12.8
122.03577	2.6
123.00746	8.3
123.04419	12.2
125.02331	49.8
133.02841	8.0
133.90955	2.9
135.00803	5.1
135.04402	11.4
137.02321	36.2
138.03166	3.9
139.00250	10.5
139.03891	14.3
141.01819	25.8
145.02855	2.6
147.04388	6.1
148.01566	2.8
149.02315	20.4
151.00276	13.1
151.02863	2.7
151.03888	17.7
152.01024	7.7
153.01822	29.0
155.03377	3.9
158.92699	2.3
159.04393	4.6
161.02338	4.9
163.00293	15.0
163.03888	8.0
164.01056	7.7
165.01823	41.5
166.02615	28.6
167.03407	63.1
167.04858	2.3
168.97638	2.5
169.01292	4.4
173.05850	2.5
173.08313	2.9
175.03857	3.8
176.01125	3.5
177.01822	18.9
178.99806	14.2
179.03442	13.5
181.01346	22.0
182.02000	5.8
183.02917	26.5
187.03853	3.2
189.01895	4.5
190.99680	3.2
191.03415	11.3
192.00426	5.0
193.01350	40.5
194.01884	5.4
195.02870	17.3
197.04465	10.6
203.03392	3.0
205.01381	15.1
206.02078	6.8
207.02921	16.0
209.00826	8.4
211.02321	5.3
213.03906	3.4
215.03357	6.2
217.04820	3.9
219.02914	41.6
220.03302	4.0
221.00818	19.7
222.01486	3.5
223.02411	25.9
224.03123	18.1
225.03702	5.8
231.02853	3.0
234.01913	3.0
235.02525	13.7
241.05190	4.6
243.06654	4.1
245.04520	8.2
251.01888	10.6
255.02940	2.7
256.03671	3.2
257.04520	6.5
259.06113	2.5
261.06134	10.2
265.03516	3.1
269.04526	10.1
271.06097	9.3
273.03952	6.4
281.04453	4.0
283.06097	18.1
285.03998	7.5
287.05389	7.4
287.07791	8.7
290.01062	2.6
297.03925	8.5
298.04620	5.9
299.05527	14.1
301.03250	3.3
303.04642	4.8
303.07364	7.9
309.03778	3.3
311.05664	30.8
313.03241	6.7
315.04956	13.0
316.05725	3.5
317.06631	5.9
318.03745	3.4
319.21198	10.2
323.05576	4.3
327.04987	16.2
329.06277	5.2
331.04608	8.8
341.05081	12.1
343.04105	28.6
344.04736	24.1
345.06018	5.8
356.05130	2.7
361.05447	54.3
362.05835	3.2
373.05536	19.9
391.06659	12.7
431.09766	45.0
432.09949	6.4
435.09076	5.1
445.07349	3.5
445.24362	5.2
447.09268	23.4
448.09753	5.3
463.08829	13.9
463.25140	4.8
464.09326	14.6
481.09824	68.0
481.26440	100.0
482.10217	11.1
482.26712	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	479.2047
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	0.6
59.03223	0.1
61.61739	0.1
61.98695	0.5
62.96273	0.3
65.24259	0.1
69.25155	0.1
71.01253	0.2
71.50047	0.3
78.95773	54.6
80.04656	0.2
80.28018	0.1
87.00755	0.2
96.96841	6.2
99.00780	0.2
113.02382	0.2
123.04404	0.2
150.97934	2.1
152.99487	100.0
153.99825	1.9
155.28197	0.2
169.17638	0.2
171.00552	5.1
211.13361	0.2
213.00937	0.1
225.98549	0.2
249.18637	0.2
258.79846	0.2
275.16733	0.2
293.17645	0.5
325.20029	0.4
349.25882	0.2
479.20490	11.2
480.20673	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01772	1.0
59.01247	100.0
60.01589	1.0
61.98710	4.3
68.70816	0.8
71.01251	24.7
72.99187	2.3
73.02818	19.9
75.00739	4.6
78.95798	1.4
83.01252	8.1
83.01646	0.7
85.02823	4.6
87.00737	3.9
89.02312	8.1
95.01283	2.6
97.06441	1.1
98.19804	1.7
99.00755	1.5
101.02322	23.3
102.33247	0.8
110.44820	0.7
112.30385	0.7
113.02313	8.0
115.00298	1.0
119.03371	3.8
123.04416	0.9
125.02349	1.7
129.01811	0.8
131.03403	2.6
132.04480	3.0
137.02338	0.8
143.03444	2.2
149.04475	3.1
151.02509	5.0
155.03476	0.8
158.06047	8.1
161.02438	0.7
161.04449	4.7
163.03979	1.0
175.02434	1.7
176.02863	1.1
179.05542	1.0
181.01460	0.8
184.02737	0.8
199.13380	2.7
202.05121	2.6
211.38258	0.8
220.06129	0.8
221.06622	0.9
225.11398	0.8
239.16640	2.1
249.06085	1.1
255.19704	3.1
257.17578	8.7
283.06815	3.7
317.19873	1.1
345.15707	1.5
361.17862	0.8
369.20535	0.8
382.11307	8.5
387.16531	4.4
417.25067	1.3
419.22775	6.7
479.08768	1.2
479.25204	28.9
480.25607	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	480.2812
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98699	100.0
66.08359	1.5
67.43748	1.5
71.52689	3.1
108.46776	1.6
152.97227	1.4
163.24623	1.4
165.33141	1.5
347.92633	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	480.2814
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32294	1.3
57.65224	1.2
59.01199	1.2
61.98700	100.0
71.53738	2.3
78.95760	3.6
103.76066	1.2
112.14177	1.3
119.50239	1.1
126.93520	1.5
129.10204	1.6
220.16872	1.4
283.26401	12.2
384.99329	1.4
480.30795	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.0826
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83833	2.4
53.31552	2.9
54.26558	2.5
59.01244	27.9
61.82533	2.3
63.01678	2.5
65.03838	2.5
69.03268	4.8
71.01218	10.8
71.50407	2.8
72.99156	3.8
73.02787	4.5
74.02323	2.7
75.00709	6.4
81.03269	4.8
83.01216	9.3
83.01673	2.5
85.02780	10.7
87.00739	3.4
89.02276	4.2
93.03266	3.8
95.01235	6.4
97.02782	8.9
99.00768	21.3
99.04329	3.5
101.02257	7.9
107.01220	6.8
107.04854	5.7
109.02847	13.8
111.00694	7.5
113.02299	5.8
120.99480	11.7
121.02883	12.5
123.00701	7.0
123.04352	4.6
125.02348	35.9
125.09575	3.4
133.02846	22.1
135.00671	4.2
135.04280	2.7
136.98633	2.6
137.02322	19.9
139.00177	7.3
139.03783	3.9
141.01720	8.4
141.74223	2.9
149.02312	13.4
151.00275	21.9
151.03789	7.3
152.91153	2.5
153.01735	12.4
161.02280	4.5
162.43243	2.6
163.00249	13.8
163.03778	3.8
163.11136	6.4
164.00784	4.3
165.01842	19.0
165.05406	3.6
166.02493	9.7
166.99623	3.2
167.03418	20.2
169.01230	12.1
173.05800	4.8
175.03838	7.3
177.01826	22.1
178.99631	11.7
179.03258	11.5
181.01346	21.4
181.12119	10.2
182.01917	5.8
183.02811	3.8
189.01793	5.6
190.99625	11.6
191.03348	5.7
192.00430	6.5
193.01329	25.6
194.01945	3.3
195.02762	8.5
197.04295	8.2
197.11678	5.9
198.11974	3.4
199.13153	10.3
203.03282	4.2
205.01360	24.5
206.99323	28.9
207.02591	3.0
207.10175	24.9
209.00658	6.0
217.01360	4.7
219.02759	5.5
221.00899	16.5
222.01260	3.3
223.02208	11.1
225.11278	41.3
231.02774	5.2
233.00645	7.5
233.31001	2.8
235.02199	7.7
243.12349	35.5
244.03447	3.0
245.04379	4.8
245.06636	5.0
247.02214	5.4
249.00389	13.5
251.01711	12.0
257.04297	4.9
259.06131	3.5
261.03986	4.0
264.99606	5.1
269.04630	3.5
271.08551	3.2
273.03787	3.6
275.05539	3.1
285.03821	10.8
287.01956	5.0
287.05090	4.7
289.03366	3.6
301.03265	9.5
301.09045	8.2
303.04776	7.6
309.05936	11.1
311.01837	5.7
313.03452	13.8
315.04596	3.2
325.05328	10.1
327.04837	15.4
329.02661	6.4
331.04254	11.4
332.01401	6.1
333.06024	3.7
343.04355	16.2
347.03821	3.3
353.04721	9.5
355.06528	3.5
357.02243	8.3
357.06049	6.5
361.05322	4.0
375.03506	29.5
375.07480	5.7
379.09998	3.8
387.03363	3.5
405.04318	8.6
405.08713	3.7
407.09473	6.3
427.59412	3.0
431.09808	3.4
433.07376	4.2
435.09378	5.6
446.08075	7.6
451.08176	4.4
461.07086	18.3
478.19446	4.0
479.08047	42.0
479.20810	100.0
480.07980	4.6
491.50021	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	479.1383
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01259	3.1
61.98699	4.9
69.30673	4.8
71.01257	1.1
77.52478	0.6
100.73555	0.6
120.99545	100.0
121.99893	1.9
145.02882	1.6
147.04347	0.8
166.00949	0.8
181.03244	0.7
193.03258	1.1
211.04327	2.1
247.58675	0.6
479.24951	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	479.1771
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	5.4
61.32634	0.5
61.98703	1.0
70.51884	0.9
70.52210	0.6
71.01250	4.5
72.99163	0.8
73.02817	2.6
75.00729	1.3
82.65697	0.4
83.01252	1.1
85.02827	2.3
87.00761	1.4
88.05675	0.5
89.02317	1.9
95.01240	0.8
97.02847	0.6
99.05497	0.7
101.02320	3.4
111.00780	1.0
113.02319	1.5
119.03368	0.7
125.02386	0.7
129.01796	0.9
135.08008	1.2
137.09619	5.7
143.04492	0.9
155.10678	100.0
155.65936	0.5
156.11044	5.0
177.01904	0.6
177.03261	3.0
179.05527	0.8
181.08568	1.1
192.97392	0.5
199.09689	54.9
200.10046	3.2
205.01378	0.6
225.11272	1.0
264.54706	0.5
309.95450	0.6
315.47342	0.5
317.19693	3.1
359.04019	0.8
361.15015	42.0
362.15253	4.4
461.23828	0.8
479.17709	33.9
479.25018	33.4
480.18103	5.1
480.25369	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.0831
Annotation	Telephioidin
Peak:m/z	Relative Intensity
59.01239	9.3
62.87100	1.8
65.00169	3.0
70.53353	4.1
70.53738	4.4
71.01249	10.8
73.02801	1.9
81.03321	5.3
83.01253	6.7
85.02810	5.7
86.06537	2.1
89.02289	2.4
89.58316	1.7
93.03335	5.7
95.01241	6.3
95.75421	2.0
97.02825	9.7
99.04396	2.5
101.02307	4.1
103.66372	1.8
105.03349	4.6
107.01241	6.3
108.02033	2.5
109.02155	2.7
109.02844	31.9
111.00752	7.8
113.02310	2.2
113.60069	1.7
121.02861	10.8
123.00728	6.8
123.04365	5.7
124.98669	3.3
125.02329	24.8
133.02863	12.1
135.00732	6.4
135.04413	2.9
137.02336	24.6
139.00264	4.8
139.03885	5.4
141.01810	5.1
143.03441	2.3
147.00699	2.4
147.04388	4.0
149.02353	15.5
150.03116	3.2
151.00287	13.1
151.03911	6.7
152.01033	3.0
153.01846	17.5
158.03735	2.3
159.04416	4.2
161.02341	7.6
163.00291	14.1
163.03929	5.0
164.01057	4.0
165.01852	28.7
166.02573	8.8
167.03381	19.1
168.81410	2.0
169.01311	2.4
169.71373	2.2
175.03888	4.5
176.01041	2.5
177.01855	29.7
178.99818	13.5
179.03282	9.8
180.00461	2.5
181.01309	11.3
183.02907	5.1
187.03860	2.8
189.01952	6.6
190.99759	19.5
191.03455	5.2
192.00549	4.5
192.99768	3.0
193.01372	29.9
194.01865	5.6
195.02914	7.4
197.04362	2.5
201.05450	2.9
202.99808	6.1
203.03459	7.4
205.01384	33.2
205.04985	2.1
206.02028	2.9
206.99265	2.3
207.02896	8.3
209.01022	3.7
213.05548	3.1
215.03357	6.3
216.03963	2.5
217.01398	2.5
217.04993	2.3
219.02773	2.8
221.00887	12.9
222.01501	6.3
223.02412	38.5
223.04318	1.5
224.02838	4.0
225.05566	2.5
227.03465	3.0
229.01280	2.9
231.02956	10.9
233.04570	2.8
235.02422	8.9
241.04959	4.7
241.11819	2.5
242.02380	2.2
243.02924	2.9
243.06534	2.5
245.04504	4.7
249.00365	17.2
250.01152	4.1
251.01892	5.6
253.03386	2.8
255.02950	4.2
257.04596	5.0
258.05057	3.1
259.06238	3.8
261.04111	2.6
265.03656	2.6
267.02893	2.5
269.04507	9.1
270.04965	3.1
271.02463	4.3
271.05972	3.2
273.03998	4.6
285.03912	13.1
286.04465	2.5
287.05606	15.8
297.04111	5.5
298.04681	6.6
299.02258	2.8
299.05466	5.5
301.03345	3.7
309.03940	2.9
311.02087	3.2
313.03510	30.5
314.03867	4.7
315.05038	20.7
316.02231	20.5
317.02921	7.3
317.06543	5.2
317.19659	4.0
327.04950	14.0
329.03009	6.7
330.03604	3.4
331.04489	4.6
341.02704	12.6
343.06531	9.1
345.06140	7.4
357.06036	2.9
359.04071	100.0
360.00238	2.1
360.04279	11.5
361.05685	2.9
369.04297	2.7
371.03955	4.7
389.05118	39.2
390.05640	5.0
407.09970	4.7
433.07397	3.6
435.09256	2.5
446.08514	8.4
461.07172	14.2
462.07327	4.0
479.08237	89.6
479.25012	18.0
480.08649	14.8
500.68781	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	478.2937
Annotation	Unknow
Peak:m/z	Relative Intensity
71.49706	0.7
75.37410	0.4
78.95775	100.0
96.96846	7.8
96.97466	0.3
120.89069	0.3
136.22644	0.4
140.01062	1.4
152.99495	18.8
165.16183	0.4
171.00555	17.7
196.03760	0.7
196.48853	0.4
210.96425	0.5
214.04787	1.7
251.20180	1.3
281.24844	50.6
282.25180	5.5
404.25729	1.3
440.28375	0.5
478.29355	65.1
479.29666	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	478.2937
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08089	0.3
70.43047	1.2
77.88654	0.4
78.95774	100.0
96.96837	8.2
96.97370	0.2
140.01080	1.8
145.13721	0.3
152.99484	17.5
153.99847	0.4
171.00549	19.7
196.03673	1.9
205.18477	0.3
214.04749	0.8
249.64375	0.4
281.24847	21.3
282.25278	2.5
371.15469	0.4
404.25613	1.5
478.29340	60.5
479.29654	8.4
494.01779	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.3067
Annotation	Unknow
Peak:m/z	Relative Intensity
57.97412	1.0
59.01249	100.0
61.98385	1.8
61.98701	27.7
63.58779	0.8
71.01246	1.3
71.51074	1.2
71.51442	0.9
72.17740	0.8
78.95789	1.6
89.02320	2.1
91.03874	5.2
99.07995	1.4
111.07996	1.0
134.63190	0.9
139.27556	0.9
141.01141	3.2
158.22978	0.9
171.10188	7.3
183.16010	1.0
193.12140	1.5
197.11713	1.1
204.65221	0.8
225.14882	1.8
225.48647	0.9
242.28528	1.1
243.15802	1.6
305.21539	0.9
318.51968	0.9
343.24838	39.3
344.25278	6.3
477.24582	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	478.0991
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03342	0.8
59.01249	10.0
61.98700	13.7
71.01250	3.7
71.50302	0.7
72.99187	0.8
73.02816	1.0
80.96336	0.5
83.01243	0.7
85.02827	2.9
87.00769	0.4
89.02312	1.8
89.03851	1.1
91.01738	0.5
96.95863	0.6
99.00742	0.7
101.02299	2.9
107.52990	0.5
108.73800	0.5
109.02835	2.1
113.02306	1.7
121.06454	0.5
122.18858	0.5
131.04942	0.6
133.02838	9.4
135.55196	0.4
142.50597	0.4
145.64256	0.4
147.04395	0.8
147.05518	0.5
149.02196	0.5
155.80460	0.4
161.04460	0.9
161.38693	0.5
175.03912	5.4
177.01826	6.5
178.02452	0.5
191.03438	0.7
197.54375	0.4
197.94499	0.6
199.03935	1.2
201.01897	1.6
209.05862	0.4
211.13353	0.6
215.12784	0.9
225.05545	1.4
239.07109	0.6
240.04129	0.6
258.58954	0.5
267.06635	1.3
269.04605	0.7
276.98685	0.6
284.03152	1.3
297.04013	1.1
309.04019	2.0
311.05591	100.0
312.05960	10.4
325.07303	2.7
341.25586	0.6
353.06641	12.5
354.06897	1.5
390.17969	0.6
397.09424	1.2
415.10324	56.7
416.10614	8.0
434.17303	0.7
465.58884	0.6
477.27554	1.7
478.16379	1.0
478.27707	2.1
479.26016	0.6
479.32291	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	477.2622
Annotation	Unknow
Peak:m/z	Relative Intensity
54.41467	1.8
62.70637	1.6
67.58902	1.8
68.64488	1.8
69.38589	12.5
69.39001	3.2
71.01230	1.7
78.95775	100.0
96.96844	7.9
100.56196	2.0
109.20116	2.1
110.26714	1.9
111.69677	2.0
129.10233	2.9
137.01491	1.9
152.99464	21.1
171.00571	19.4
210.97900	2.4
220.93556	1.8
252.33934	1.9
279.23343	5.6
313.80792	2.1
433.30704	3.9
478.29340	75.7
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
59.01249	100.0
60.01592	1.1
60.84790	0.4
61.98701	0.7
64.05581	0.4
71.01256	1.9
71.27345	1.0
73.02808	0.6
75.00751	1.4
85.02837	1.1
87.00748	0.7
101.02332	0.9
135.02800	0.5
175.02414	1.1
197.11787	4.9
198.12193	0.5
235.13676	0.4
239.12927	0.5
245.11845	0.5
251.13176	0.6
285.53683	0.5
287.44803	0.4
359.17023	3.1
381.15466	0.6
399.16696	1.3
477.23434	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.3068
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	100.0
60.01592	1.4
61.98706	6.0
62.28197	0.7
69.28387	1.8
69.28808	4.6
71.01247	3.3
73.02817	2.4
78.13673	0.8
78.95789	1.1
80.63190	0.6
83.01277	0.8
83.95329	0.6
85.02814	1.2
89.02332	1.6
91.03880	3.3
96.95879	1.2
101.02328	2.8
111.14874	0.7
113.02343	1.2
127.81074	0.7
142.45094	0.8
145.97969	0.7
147.66406	0.7
156.79794	0.6
159.04347	0.9
161.02341	1.0
161.04517	0.8
193.12241	2.0
211.13419	0.9
214.15543	0.7
225.14909	3.8
243.16000	1.2
260.10565	0.8
309.20706	0.8
327.37955	0.6
343.24850	30.4
344.25256	3.8
359.22214	0.9
385.20071	0.9
417.22861	6.3
418.23111	1.2
435.23792	3.9
436.24423	1.1
459.23825	2.2
477.24890	24.9
478.25259	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	477.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
54.43398	0.6
55.01748	7.9
57.03314	5.4
57.11954	0.7
58.00448	3.2
59.01249	52.2
69.03316	1.0
71.01250	84.2
71.51003	1.2
72.01580	1.9
72.99178	4.9
73.02817	26.7
75.00726	1.7
75.42180	0.6
81.03335	0.9
83.01257	16.2
85.02821	40.6
86.03165	1.5
87.00741	4.3
89.01756	1.6
89.02312	30.2
92.57748	0.7
95.01258	7.5
97.02814	3.0
99.00753	13.2
101.02319	100.0
102.02641	1.9
102.04339	0.7
111.00746	0.8
113.02325	44.4
114.02708	0.9
119.03376	11.1
119.04150	1.0
125.02361	2.0
129.01837	2.0
131.03386	0.8
143.03392	7.3
159.02931	6.3
159.04451	2.4
160.05223	4.6
161.04460	40.6
161.05806	1.9
162.04739	0.8
173.06062	1.0
175.07617	2.0
177.05544	1.3
179.05502	4.4
180.41579	0.8
186.24573	0.7
205.03603	2.0
225.05556	1.6
253.05023	1.6
254.05995	2.1
255.06656	1.7
269.08188	4.9
270.08975	1.4
284.10397	0.8
299.94537	0.8
315.18085	42.4
316.09979	0.9
316.18359	4.1
373.34479	0.7
417.24878	0.8
432.16019	0.9
436.16422	0.8
447.18234	2.1
459.17935	1.0
462.16849	0.8
477.23941	53.8
478.24231	8.4
478.28937	0.7
494.09030	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01260	10.3
69.80281	3.4
69.80692	5.8
71.01237	4.2
82.02853	3.7
83.02384	12.3
84.00769	9.2
85.02802	1.9
87.00728	1.9
89.02312	4.7
96.00778	8.1
98.02335	9.7
98.19852	3.0
99.05511	5.4
101.02279	1.6
110.02365	12.5
112.03931	3.5
125.02360	1.7
130.08632	38.9
132.04411	2.4
134.06013	3.4
138.09137	14.0
147.05891	6.5
150.05498	2.7
154.01332	5.8
161.04449	1.8
169.09729	9.2
179.03291	1.9
180.05334	3.2
187.05328	10.8
187.10956	2.1
195.11317	1.9
205.09741	3.9
223.10829	9.8
227.07381	2.3
267.09839	100.0
268.10181	7.0
284.07065	5.8
297.12384	3.5
311.12442	10.6
415.16547	53.0
415.22327	2.9
416.16766	6.8
459.18991	24.1
460.19214	4.4
477.07074	3.6
477.19275	9.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	5.4
57.03323	4.3
58.00456	2.2
59.01250	46.8
61.98692	2.2
68.99699	0.7
69.03313	2.1
71.01253	100.0
72.01580	1.1
72.99191	3.3
73.02817	29.5
75.00748	1.5
76.29444	0.5
81.03334	1.3
83.01260	13.9
84.01601	0.7
85.02822	42.3
86.03142	1.2
87.00734	4.8
89.02317	22.6
90.02618	0.9
95.01257	7.6
97.02834	4.2
98.19759	1.0
99.00757	13.5
101.02322	83.6
102.02640	1.6
104.40561	0.6
104.52473	0.6
106.67272	0.6
111.00753	1.6
113.02328	45.0
114.02695	1.0
118.00277	0.6
119.03379	9.6
121.08757	0.7
123.35417	0.5
125.02338	5.5
129.01810	1.9
131.03383	2.0
143.03397	5.9
149.04486	0.9
159.02908	8.5
161.04465	53.0
162.04807	1.6
179.05540	5.1
205.03502	2.6
221.06691	2.6
235.76949	0.6
241.14381	1.4
245.06401	0.7
263.07828	1.3
315.18082	24.4
316.18423	2.4
323.09845	0.7
359.17206	0.7
417.24875	4.9
418.25308	0.6
477.23355	38.0
478.23715	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.187
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25753	0.9
55.01754	1.1
55.36973	0.8
56.05467	0.9
57.03294	1.4
58.00464	2.1
59.01248	40.7
61.98676	1.2
62.31114	0.9
69.50858	2.8
69.51276	4.5
71.01250	23.3
72.99175	4.9
73.02805	1.4
75.00744	2.3
83.01241	2.5
85.02827	6.7
87.00754	4.5
88.00278	1.3
89.02313	23.8
91.00243	1.1
95.01263	2.7
98.19837	1.7
101.02323	15.3
104.04929	1.4
106.06534	1.5
107.01161	0.9
108.04422	1.5
113.02348	8.1
119.03384	6.8
122.05976	1.8
122.33302	1.1
126.50851	1.0
132.04440	53.3
133.02791	1.5
133.04759	2.2
134.06003	41.0
134.07019	2.2
135.06334	1.3
139.07547	1.2
144.04446	1.7
149.08821	1.0
150.05513	36.7
151.05838	2.2
152.07106	3.1
153.09119	5.4
158.06036	2.0
176.07097	4.2
179.05536	1.7
205.12236	1.0
251.11978	4.7
269.12967	4.1
279.11374	17.2
280.11813	1.3
297.12433	34.1
298.12741	2.8
299.14056	1.6
314.12445	7.5
315.12939	1.2
389.12766	1.2
421.49991	1.1
459.17728	36.0
460.17813	5.3
477.18777	100.0
478.19052	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	476.2777
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02478	0.3
56.80838	0.3
59.19731	0.3
62.96270	0.3
71.28225	0.5
71.28544	0.3
71.91860	0.3
78.95772	100.0
93.28265	0.2
96.96840	8.1
121.99984	0.2
123.33227	0.3
140.01123	0.6
145.05139	0.2
152.99478	17.0
171.00548	20.9
172.00839	0.4
196.03714	0.4
214.04869	0.3
279.23236	2.7
280.23639	0.4
323.17758	0.3
402.24170	1.7
451.13837	0.3
476.27811	46.5
477.28110	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	476.2778
Annotation	Unknow
Peak:m/z	Relative Intensity
54.08974	0.2
59.01245	0.4
70.98707	0.6
73.75483	0.2
78.95767	6.7
80.93225	0.3
83.02383	0.2
93.64328	0.2
121.99952	0.3
140.01083	2.5
152.99486	0.9
154.94661	0.2
171.00497	0.4
196.03677	1.3
214.04782	2.7
261.22339	0.5
279.23264	100.0
280.23605	9.8
298.99747	0.2
461.65076	0.3
476.27792	9.9
477.28003	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	477.0672
Annotation	Hypolaetin 7-O-glucuronide
Peak:m/z	Relative Intensity
56.87899	0.2
57.03317	0.4
57.24918	0.2
59.01249	4.5
61.98695	0.2
63.02266	2.2
65.00194	4.2
68.99702	0.3
71.01250	4.1
71.50061	0.2
71.50402	0.3
71.93483	0.2
72.99195	0.5
73.02833	0.6
75.00765	0.7
81.03342	0.2
83.01260	3.2
83.01714	0.3
85.02814	2.1
85.03234	0.2
87.00771	0.8
89.02326	0.8
91.01778	0.6
93.03328	1.4
95.01273	0.7
95.15752	0.2
97.02885	0.2
99.00774	0.7
101.02326	0.5
103.00269	0.7
107.01270	8.1
109.02833	4.6
109.03518	0.3
111.00761	0.3
111.08001	0.2
113.02325	2.2
115.00273	0.4
117.01824	0.2
119.01287	0.7
119.47997	0.2
121.02839	7.2
121.42860	0.2
122.03118	0.3
123.00854	0.2
123.04438	0.4
125.02323	0.7
133.02888	0.4
135.00760	0.7
137.02402	0.2
139.03899	0.7
143.04811	0.2
146.03653	0.2
147.04434	0.2
148.01584	0.3
149.02382	1.6
150.03099	0.2
151.00273	29.8
152.00580	1.3
153.01846	0.3
157.06586	0.3
159.03206	0.2
159.04391	1.0
161.02339	0.5
161.05948	0.3
163.00278	4.9
163.03905	0.5
164.01050	0.6
165.01898	0.3
165.05426	0.2
167.03548	0.3
167.04951	0.5
169.01363	2.6
170.03792	0.2
171.04408	0.4
173.05946	0.5
175.02390	1.4
175.03918	0.5
177.01764	0.2
178.02661	0.2
178.99783	14.6
180.00134	0.7
183.04413	0.8
185.02428	0.2
185.06012	0.4
187.03923	0.8
189.05452	0.3
190.99783	0.6
192.00546	0.5
193.01321	0.7
195.04579	0.2
195.06567	0.3
195.86607	0.2
195.91406	0.2
197.11697	0.3
199.03918	0.5
200.04823	0.2
201.01895	0.2
201.05495	1.4
203.03444	0.8
209.04433	0.2
211.03972	1.6
212.04646	0.3
213.01830	0.4
214.02625	0.4
215.03481	0.5
227.03493	2.2
228.04184	0.4
229.05022	1.9
231.03009	0.3
239.03537	0.9
240.04114	0.3
243.02907	0.6
245.04538	3.6
246.04932	0.3
255.00264	0.3
255.02963	5.5
256.03625	1.1
257.04446	0.5
259.02591	0.3
266.02185	0.6
271.02512	1.2
272.03043	0.3
273.04016	2.4
274.04333	0.3
283.02496	2.4
284.03043	0.4
285.04031	0.2
297.03925	0.4
300.02682	0.7
301.03516	100.0
302.03873	9.4
313.03479	0.3
315.18045	0.6
357.05911	0.3
387.10800	0.3
477.06506	10.9
477.23743	2.6
478.06512	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2546
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49858	0.3
53.05241	0.3
59.01248	100.0
59.64594	0.3
60.01590	1.0
71.01243	0.6
80.09491	0.3
83.01295	0.2
85.02837	0.5
85.41525	0.2
89.02325	0.6
91.55527	0.3
91.72644	0.3
101.02330	0.7
113.02408	0.3
119.03326	0.3
461.12213	0.3
475.17389	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2913
Annotation	Unknow
Peak:m/z	Relative Intensity
58.38354	5.4
59.01253	97.8
61.02005	5.5
61.87592	5.8
61.98687	9.5
65.52127	6.0
67.48003	5.9
69.20339	6.5
69.20615	20.4
69.21021	45.0
70.44138	7.3
71.01254	67.3
72.99200	6.9
75.48834	6.1
75.90478	5.3
78.95793	53.1
83.36559	5.7
85.02816	9.7
89.02321	100.0
101.02332	17.1
108.41508	6.6
110.36366	5.8
113.02342	14.5
115.79514	5.7
117.97063	7.3
119.03371	13.6
143.03445	7.1
152.99454	10.7
171.10165	17.1
179.05495	27.2
179.87276	5.9
193.36226	6.3
196.03603	6.0
277.21704	30.2
279.23331	89.9
295.22781	82.5
296.23041	12.1
476.27655	47.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.1561
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01763	3.6
57.03322	3.0
59.01248	24.9
60.99170	1.2
63.35400	1.3
65.10333	1.1
69.78322	6.2
71.01253	41.0
72.99176	2.7
73.02816	14.8
75.00746	1.7
83.01252	7.4
83.01662	1.2
85.02821	23.0
87.00732	2.3
89.02343	6.1
95.01266	3.7
98.20480	1.8
99.00759	7.4
101.02323	32.4
107.04912	1.6
113.02325	16.8
116.00075	1.3
116.04994	2.0
118.06512	100.0
119.03374	1.9
119.04926	1.5
119.06839	3.6
121.02855	1.7
125.02335	1.8
129.01799	2.4
133.06471	1.3
143.03413	2.0
150.05484	3.9
151.03891	16.4
159.02887	4.2
161.04477	20.0
161.05856	2.9
205.03432	1.8
240.35280	1.3
252.10277	49.9
253.10616	5.1
269.10284	4.8
269.13025	2.0
313.09222	12.4
315.18042	3.0
347.29822	1.4
384.15448	1.3
414.15652	7.1
476.15509	8.6
477.14581	1.8
477.23322	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	475.2466
Annotation	Unknow
Peak:m/z	Relative Intensity
57.94337	2.0
59.01246	19.3
59.78828	1.9
63.84437	1.9
69.47265	2.7
69.47608	16.9
71.01279	2.4
78.95773	100.0
96.96838	8.7
126.67917	2.3
136.78255	2.2
152.99471	19.8
171.00525	16.9
277.21677	2.8
279.23325	3.4
291.23248	2.4
369.80032	2.6
474.35245	2.4
476.27805	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	475.2549
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	100.0
60.01591	1.5
63.86713	0.3
65.36322	0.3
71.01260	1.2
71.50734	0.3
71.51149	0.4
73.02860	0.3
75.03322	0.2
79.31407	0.2
82.69901	0.2
82.77834	0.2
83.01248	0.2
85.02806	0.5
89.02286	0.2
101.02336	0.6
109.02851	1.2
113.02333	0.5
122.61350	0.2
125.02252	0.2
133.02844	5.4
134.03603	0.6
135.04396	0.7
147.04437	0.3
147.47093	0.3
149.02339	0.7
151.03973	0.4
161.02365	0.6
163.00279	0.2
163.03926	0.4
165.01872	0.6
175.03929	1.5
177.01810	1.3
179.03381	0.3
191.03455	0.5
197.06076	0.3
199.03928	0.3
201.01878	0.8
202.02592	0.3
203.03487	1.0
205.01392	0.5
207.02892	0.4
213.05634	0.2
215.03360	0.4
219.02983	0.6
225.05516	0.5
231.02928	0.4
239.06990	0.4
241.05000	0.3
243.02927	0.3
251.07327	0.4
257.92966	0.2
261.04016	0.6
265.05081	0.4
267.06583	0.8
269.04535	0.3
270.05270	0.3
279.05252	0.5
281.04562	0.6
282.05115	0.3
283.05981	0.6
285.04044	0.5
293.04773	0.3
295.06049	0.4
297.04083	2.3
298.04669	1.1
299.05588	3.6
300.05942	0.3
309.04123	0.7
310.04749	1.2
311.05591	2.8
312.06262	0.7
313.07111	2.1
323.05667	0.6
325.03610	0.6
325.07217	0.6
326.04129	0.4
327.05084	2.3
337.03598	0.4
338.04315	0.9
339.05081	7.2
340.05463	1.1
341.06534	1.6
343.04395	0.3
344.04886	0.3
351.04944	0.7
353.06665	0.8
355.04636	0.7
357.06110	1.5
367.04617	3.6
368.05002	0.5
369.06137	3.9
371.07874	0.7
381.06107	0.3
385.05615	8.4
386.06021	0.9
387.50253	0.3
393.06021	0.3
397.05563	3.1
398.05740	0.4
415.06671	7.9
416.06900	1.1
427.06570	0.3
445.07596	0.3
457.07809	3.0
458.08115	0.7
465.24796	0.3
475.08798	27.5
476.09119	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	475.2546
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81245	0.3
55.01760	0.3
59.01246	70.7
60.01589	1.0
71.01256	2.3
72.99194	0.5
73.02821	1.0
74.26914	0.3
77.03882	0.4
78.21571	0.3
79.01746	0.5
83.01260	0.7
85.02833	1.1
89.02332	0.8
95.15939	0.3
97.02807	0.4
98.20562	0.9
99.00777	0.4
101.02314	1.7
107.04932	0.3
109.02820	3.8
111.00732	0.4
113.02300	0.7
117.03297	0.4
119.04881	0.3
121.02836	1.0
123.00769	0.3
123.04371	0.4
131.04884	0.5
132.02084	0.5
133.02841	14.9
134.03696	1.6
135.04431	1.7
136.01669	0.3
137.02373	0.4
145.02858	0.4
147.04451	1.1
149.02336	1.7
151.03882	0.5
155.70151	0.3
159.04515	0.4
161.02356	1.1
161.04453	0.6
163.00253	0.7
163.03923	1.1
165.01813	0.7
167.09509	0.4
171.04404	0.4
173.02388	0.9
174.03166	0.6
175.03899	4.8
176.01086	0.4
177.01871	3.7
177.05525	0.5
179.03439	1.0
185.02327	0.3
187.03900	0.4
189.01894	1.0
191.03444	1.5
199.03922	1.2
201.01819	2.4
202.02477	0.5
203.03448	2.8
204.00580	0.6
204.03838	0.3
205.01460	2.2
205.03288	0.6
207.03006	1.0
211.03920	0.4
213.05530	0.9
215.03430	1.0
217.01515	0.5
219.02911	1.2
221.04306	0.3
224.04749	0.4
225.05591	0.9
226.02718	0.5
227.03409	1.3
227.07019	0.5
229.04990	0.6
231.02887	1.4
233.00937	0.5
233.04457	0.9
237.05670	0.7
238.06232	0.4
239.03470	0.5
239.07091	1.3
240.04262	0.3
241.05002	0.9
243.02924	0.7
247.02338	0.3
249.04005	1.1
251.07205	0.5
252.04279	0.6
253.05022	1.2
254.05780	1.1
255.02922	1.0
255.06479	0.6
257.04541	0.6
261.03946	1.6
264.04053	0.4
265.05087	1.2
266.05820	0.4
267.03647	0.4
267.06451	1.5
268.03604	0.4
269.04507	1.1
270.05295	0.6
271.06189	0.3
276.04376	0.4
277.05054	0.5
279.05182	1.2
280.03601	0.5
281.04584	1.2
282.05188	0.9
283.06122	1.7
284.06396	0.5
285.04013	1.9
287.01935	0.4
293.04556	1.3
294.05109	0.4
295.02499	0.3
295.06027	1.0
297.04022	5.4
298.04761	4.6
299.05573	10.3
300.05872	1.0
309.04056	3.2
310.04700	3.8
311.05579	9.3
312.06113	1.7
313.07147	5.7
314.07547	0.6
321.04022	0.5
323.02029	0.3
323.05566	1.8
324.02609	0.9
325.03400	2.1
325.07254	1.3
326.03961	0.4
327.05060	8.4
328.05301	0.9
330.03964	0.5
335.05417	0.5
337.03677	1.8
337.07004	0.4
338.04236	2.6
339.05042	21.4
340.05426	2.4
341.06638	3.6
342.03522	0.4
343.04517	0.8
344.05350	0.7
351.05103	1.8
353.06573	2.3
354.07062	0.4
355.04712	1.9
356.05136	0.7
357.06165	4.0
365.06595	0.6
367.04535	11.0
368.04938	1.2
369.06146	11.9
370.02615	0.5
370.06439	1.3
371.07651	1.7
379.04486	1.3
381.06207	0.8
383.03659	0.4
383.08081	0.4
385.05637	24.4
386.05951	2.8
391.04922	0.4
393.06250	0.5
397.05643	9.2
398.06104	1.3
409.05634	0.4
411.07135	1.2
415.06680	22.9
415.23471	0.5
416.06995	3.2
427.06641	1.2
429.08069	0.9
439.06619	0.9
445.07867	0.9
457.07684	10.1
458.08057	1.3
475.08774	100.0
476.09094	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	475.182
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	2.1
57.03307	2.4
58.00452	1.4
59.01250	47.1
69.03300	1.1
70.83366	2.1
71.01250	41.7
72.99175	2.1
73.02818	17.4
81.03322	1.3
83.01255	14.3
85.02818	20.8
85.99909	0.7
87.00743	3.1
89.02329	6.4
95.01266	2.8
97.02823	2.9
99.00762	6.9
99.04404	1.0
101.02318	42.0
103.03872	2.3
113.02323	21.5
119.03384	2.6
120.46451	0.8
125.02341	4.3
131.03467	1.1
133.02829	3.3
143.03351	2.1
145.04926	1.9
159.02928	4.1
161.04456	23.2
163.06052	2.4
167.03398	3.6
175.03874	1.4
189.01866	1.3
191.03392	1.4
195.31148	0.8
201.01758	1.1
205.03442	1.2
207.03001	1.9
210.86484	0.9
219.02791	1.2
231.02850	1.0
247.08005	1.2
248.26060	1.3
249.03979	1.6
269.10284	72.5
270.10602	6.2
281.04324	1.0
283.06149	3.7
297.04031	2.2
298.04724	6.3
299.05438	1.7
307.10202	1.6
311.05579	6.0
313.03580	1.4
325.03418	3.2
326.04172	1.4
327.04736	1.4
339.05035	0.9
341.06723	2.7
355.04391	13.5
356.04718	1.4
367.04440	1.5
385.05649	13.5
386.06168	1.4
397.05579	1.8
415.16064	100.0
416.16400	14.8
431.09705	1.9
457.07416	2.2
475.08755	40.5
476.09122	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	475.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
56.16119	1.0
57.89372	1.1
59.01250	40.4
71.01250	2.5
71.10224	2.4
85.02822	1.9
146.03629	32.5
147.03995	1.5
160.47679	1.2
161.04570	2.5
161.05930	12.7
164.04681	22.2
165.05066	1.5
179.07053	100.0
180.07417	7.8
181.58823	1.2
219.92772	1.1
226.24193	1.2
230.30815	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.2623
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42482	0.3
55.94458	0.3
61.98700	0.3
62.96263	0.4
67.23096	0.3
70.52354	1.1
78.95773	100.0
84.43173	0.2
96.96839	7.7
103.79491	0.3
120.48830	0.3
140.01102	1.0
152.99492	16.2
153.99850	0.3
171.00549	18.0
196.03680	1.3
214.04744	0.4
277.21719	9.2
278.22067	1.2
400.22562	1.2
401.23074	0.4
474.26218	58.5
475.19772	0.4
475.26520	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	474.2624
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21201	0.4
57.40384	0.4
58.45481	0.4
59.01247	1.6
59.15155	0.4
61.40252	0.4
61.98693	0.7
62.96276	0.4
70.01247	1.7
76.58419	0.4
78.95775	100.0
95.40600	0.4
96.96835	7.4
113.87109	0.4
122.00081	0.5
140.01068	1.5
152.99492	16.7
153.52782	0.4
171.00545	17.4
172.00911	0.6
173.31137	0.4
196.03802	0.7
214.04784	2.5
275.19873	0.4
277.21707	65.6
278.22018	7.4
293.44745	0.4
323.34293	0.5
390.51141	0.4
400.22345	1.3
472.79501	0.5
474.26221	62.6
475.26624	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	475.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30293	2.4
57.43078	2.4
59.00960	4.6
59.01245	66.2
71.01248	8.8
71.50539	3.4
82.15201	2.4
85.02802	2.7
87.00774	3.5
89.02303	3.7
89.92196	2.4
98.20119	2.8
101.02306	8.9
104.88100	2.9
113.02337	5.5
121.02838	4.4
123.04399	9.4
146.03625	34.6
149.06058	4.2
161.04576	5.1
161.05968	12.8
161.51912	2.9
163.03894	3.2
164.04707	29.6
165.01848	2.5
167.03416	36.4
167.07065	22.0
179.05490	5.2
179.07054	100.0
180.07384	5.0
180.82144	2.4
283.06119	3.1
311.05560	4.3
329.12311	11.8
355.04434	3.9
475.08551	14.2
475.18668	32.9
476.18478	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	474.2621
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50234	0.2
59.01246	0.4
62.96263	0.4
65.45843	0.3
70.63787	0.7
78.95774	100.0
84.14399	0.3
96.96838	8.5
102.61250	0.3
140.01039	0.6
150.97896	0.3
152.99484	17.8
153.99863	0.3
171.00548	19.4
172.00882	0.3
173.65137	0.3
212.95326	0.2
214.04872	0.6
229.08423	0.2
242.70924	0.3
273.50748	0.3
273.53604	0.2
277.21722	0.4
374.27127	0.3
400.22452	1.7
474.26218	58.1
475.26599	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	473.3268
Annotation	CHEBI:69578
Peak:m/z	Relative Intensity
50.83632	0.4
59.01246	0.6
61.98696	0.6
69.03323	8.8
69.62389	1.7
69.62800	0.7
71.04875	0.5
73.54006	0.5
78.58728	0.5
80.02541	1.8
81.03320	1.0
83.04905	0.4
91.05426	0.5
98.19898	0.9
101.99372	0.4
107.04896	5.7
109.06468	85.7
110.06786	3.5
125.26151	0.5
144.64957	0.5
156.86070	0.5
238.64948	0.5
317.28506	3.6
317.85187	0.5
339.30481	0.6
341.28299	1.2
355.30087	4.6
357.31589	40.5
358.31900	5.8
359.29575	1.3
369.31769	0.7
374.72119	0.5
383.33078	1.8
385.34711	17.1
386.35013	2.7
393.31699	0.9
409.30417	0.5
411.27222	0.4
411.32574	13.0
412.32932	1.9
429.33682	58.5
430.34027	11.2
473.32666	100.0
474.33020	21.1
474.38785	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.3268
Annotation	CHEBI:69578
Peak:m/z	Relative Intensity
54.21326	1.3
63.06629	1.2
65.74841	1.3
68.99684	1.2
71.53407	1.5
83.04889	1.3
99.54868	1.2
109.02831	2.9
205.15945	1.7
229.12256	2.4
255.13919	4.7
279.23199	6.6
369.31772	4.0
391.45074	1.5
411.32642	47.7
412.08243	1.3
412.32980	7.9
429.33749	100.0
430.34021	16.5
473.32870	68.8
474.33151	14.1
485.88223	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	474.0673
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66905	2.3
59.00961	4.9
59.01249	81.2
61.76037	2.1
61.98700	9.4
70.70575	6.1
71.01250	15.7
72.99168	2.9
73.02817	4.6
75.00721	2.5
78.95777	2.9
83.01252	3.6
83.04871	2.8
85.02831	3.9
89.02286	6.8
100.32952	2.5
101.02348	13.0
109.02830	5.0
113.02316	7.3
119.03342	4.3
133.02841	26.0
174.49556	2.9
177.01790	3.4
187.09798	2.6
189.05511	12.0
201.01860	3.0
202.99796	3.5
213.05504	4.5
216.41365	2.5
231.06441	3.8
285.04031	17.4
293.21237	2.8
297.04050	16.8
309.04114	7.4
311.05545	4.9
311.22324	10.5
312.22629	5.3
313.03479	16.9
323.05807	4.9
325.07205	7.2
337.03503	21.4
338.03867	5.5
351.05029	18.7
367.08145	29.4
390.65543	2.8
411.07178	100.0
412.07663	13.7
473.27496	16.6
473.35062	3.7
474.28381	12.3
474.36392	3.5
475.08841	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	473.2749
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	54.1
61.98701	7.8
71.01251	30.5
71.51474	12.2
71.80090	5.3
74.77064	5.3
75.35540	6.1
78.95793	14.5
85.02820	8.7
89.02317	41.9
101.02332	13.3
101.20530	6.1
125.02310	6.6
166.12079	6.3
179.05499	11.6
188.99780	5.5
225.57919	5.2
227.28535	5.5
293.21225	65.8
294.21616	7.3
473.36316	100.0
474.26443	8.3
474.36444	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	473.2752
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	100.0
61.98702	43.1
69.49317	29.5
69.49736	57.5
71.01256	64.0
77.19579	13.7
78.14582	13.6
78.95766	24.2
89.02322	48.5
93.88266	11.5
96.95982	14.2
98.19819	25.0
134.04605	45.5
171.10262	14.6
201.35483	13.4
275.20313	21.7
277.21722	18.0
293.21158	23.3
360.66550	13.2
391.17603	62.9
416.34979	14.9
473.35385	14.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2392
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	100.0
60.01589	1.0
69.24577	2.6
69.25005	1.6
71.01246	2.1
73.02808	2.8
75.08363	0.4
83.01268	0.7
85.02826	0.7
89.02325	1.2
98.19839	0.8
101.02326	3.3
104.77367	0.5
111.00794	0.6
113.02359	1.3
117.03316	0.5
119.03396	0.6
121.02818	0.4
131.01241	0.6
133.02834	3.1
135.98283	0.8
151.09837	0.4
161.02458	0.4
161.04529	1.0
175.00322	1.3
189.01909	0.4
275.94839	0.6
281.08112	0.6
284.03387	0.7
285.03970	0.5
297.04150	0.5
298.04938	0.7
309.04059	14.0
309.07199	0.8
310.04630	1.2
311.05640	0.7
327.04904	3.2
328.05765	0.5
339.05029	0.7
369.06506	1.3
413.08707	8.4
413.13733	0.7
414.09198	0.9
424.48428	0.4
473.10663	3.3
473.24164	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	473.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	100.0
60.01583	1.4
61.54592	0.2
68.07206	0.2
69.29871	1.8
71.01276	0.4
101.02303	0.3
107.50253	0.2
161.04546	0.2
164.32013	0.2
211.79973	0.2
258.99197	0.2
298.04828	0.5
327.05063	1.1
344.78232	0.2
371.20926	0.4
372.29138	0.2
473.11066	0.8
474.25726	0.3
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
59.01249	100.0
60.01610	0.6
69.62728	2.3
71.01259	1.1
76.26360	0.4
88.41417	0.4
94.37440	0.4
98.20535	0.6
101.02331	0.5
107.06523	0.4
113.02268	0.5
121.02865	2.0
158.72350	0.5
209.15387	0.5
221.14417	0.4
270.14441	0.4
401.08688	0.6
404.08484	0.4
413.21771	0.6
459.42105	0.4
473.28012	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2392
Annotation	Unknow
Peak:m/z	Relative Intensity
57.90538	0.4
59.01251	100.0
60.01590	1.3
66.95689	0.5
71.01256	1.4
71.47935	0.5
73.02820	0.6
73.49883	0.4
83.01240	0.4
85.02843	0.6
101.02344	1.2
112.15088	0.4
113.02333	0.7
125.82159	0.4
141.08575	0.4
190.33112	0.5
260.95044	0.5
293.04544	0.7
298.04874	0.6
327.05206	0.7
327.14551	0.6
473.11057	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	473.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78433	0.3
57.03321	0.3
59.01251	100.0
60.01589	1.2
61.98702	0.4
63.96100	0.3
71.01255	1.8
71.30542	0.5
71.30894	0.2
72.99194	0.5
73.02853	0.7
85.02844	1.0
87.00761	0.4
87.84163	0.3
89.02332	0.8
99.00771	0.3
101.02322	1.3
113.02358	1.1
117.97197	0.4
133.02896	1.1
135.98241	2.1
143.03409	0.4
161.04512	0.9
179.05595	0.4
245.04311	0.3
297.04071	0.4
298.04895	1.1
299.05576	0.7
309.03952	1.4
311.02652	0.3
311.05573	1.5
327.05133	4.1
328.05466	0.6
337.59250	0.3
369.06265	0.6
371.20883	0.6
386.40884	0.3
395.08383	0.3
409.45343	0.3
413.08765	1.8
413.22110	0.6
473.10837	2.5
473.22528	0.3
474.11893	0.5
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
55.00707	0.3
55.01753	0.7
57.03326	1.1
59.01249	100.0
60.01592	1.3
61.98709	0.4
62.03068	0.4
69.03362	0.4
70.33743	0.8
70.34137	0.7
71.01252	10.3
72.99188	0.7
73.02818	3.8
75.00755	0.5
78.95760	0.4
83.01255	2.3
83.04905	0.4
85.02823	5.6
87.00750	1.0
87.04404	1.2
89.02325	2.6
95.01264	0.6
96.34824	0.4
96.95912	0.5
96.96850	1.2
97.02845	0.4
99.00764	1.5
101.02317	6.6
111.00771	0.9
113.02341	2.9
119.03371	0.8
121.02853	0.5
125.02386	0.5
125.09603	0.5
129.01823	0.8
133.02870	0.4
143.03362	0.4
143.10690	0.4
145.06053	0.7
146.02356	0.9
159.02925	0.4
161.04477	1.7
174.01875	1.0
175.02640	0.5
187.09682	0.6
205.03499	0.5
209.11661	0.4
214.49283	0.4
225.18588	0.5
263.97501	0.3
275.21765	0.3
283.07214	0.6
298.09579	1.8
299.10355	2.0
309.04291	0.5
327.05124	1.0
375.20255	0.5
387.23874	1.9
388.24194	0.4
397.17743	3.0
413.08267	0.4
413.21786	2.4
431.22714	3.1
441.16766	2.5
473.23865	31.1
474.24176	3.9
489.87344	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1661
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85770	0.7
57.03321	0.7
59.00965	0.9
59.01249	16.4
61.98678	0.7
69.70932	1.4
69.71329	2.5
71.01254	12.6
72.99181	3.1
73.02821	9.9
75.00734	1.0
79.01753	1.4
81.03309	0.6
83.01269	1.4
85.02819	5.0
85.99940	1.2
87.00755	8.1
87.04389	1.9
89.02306	4.9
91.05415	1.0
93.03335	3.0
95.71005	0.6
97.02832	0.8
98.19903	1.3
101.02321	11.4
103.03886	3.7
108.02025	0.7
112.59282	0.7
113.02342	1.9
115.03899	4.1
117.03349	7.4
119.03368	2.1
119.04923	5.5
131.03397	4.8
131.04881	0.6
133.02824	0.7
133.06502	0.8
135.04398	5.5
143.03386	5.9
145.02849	0.9
145.04910	1.9
147.04417	58.0
148.04724	2.8
149.06007	1.4
159.04367	0.8
161.02429	3.4
161.04398	0.7
161.05945	0.8
163.03862	2.4
163.06024	10.0
165.05470	11.5
173.06030	1.2
175.03899	1.7
177.01898	1.0
177.05501	2.0
190.59152	0.7
191.03433	1.7
197.05991	0.8
198.13554	0.7
201.11183	0.8
203.03455	1.0
205.07076	10.7
206.07449	0.8
225.05286	0.7
233.04498	1.2
237.05655	0.8
238.06296	1.2
251.07198	1.0
253.08797	0.9
263.06946	0.7
267.06314	1.0
268.07581	1.0
279.06314	0.8
281.04538	1.0
282.05283	3.0
283.05966	1.4
295.06149	3.5
296.06796	1.6
297.07642	27.0
298.08096	3.2
307.06033	1.5
309.07550	1.5
311.05582	1.6
323.05566	2.2
324.06161	0.6
325.03384	1.3
325.07135	11.3
326.07535	1.1
328.05734	1.7
335.05481	1.2
337.07153	1.4
351.04907	0.8
353.06644	62.7
354.06958	8.2
365.06631	2.3
383.07825	13.3
384.08014	2.0
439.96295	0.7
455.09390	0.8
473.10654	58.6
473.16623	100.0
474.10947	8.8
474.16971	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	473.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97813	2.5
52.99962	2.8
58.00461	3.9
59.01247	86.4
70.64743	8.3
70.65099	3.5
71.01257	42.4
72.99158	5.8
73.02816	36.6
79.95605	3.7
80.96382	30.0
85.02808	17.0
87.00745	14.3
87.04396	3.6
89.02306	28.3
94.97980	6.6
101.02312	68.5
101.02935	5.3
103.03887	30.3
110.68249	2.7
113.02379	3.1
115.03869	5.7
118.14378	2.7
119.03413	17.3
119.04903	16.6
121.02969	2.7
127.03902	3.3
129.01810	5.2
131.03406	11.7
135.04393	7.7
143.03410	11.6
145.04976	7.7
147.04405	16.9
149.04471	4.0
161.02309	3.4
162.03099	3.9
163.03874	10.9
163.06017	100.0
163.07401	6.4
164.04240	4.7
164.06323	3.4
164.98505	4.8
179.03430	5.3
180.42337	2.7
205.07094	24.0
225.00801	5.0
265.09338	4.1
282.05255	2.8
353.06717	5.9
375.40717	3.3
473.13251	54.1
474.13342	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	473.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	100.0
60.01611	1.5
61.98386	1.9
61.98703	26.1
63.78248	1.2
71.50428	2.1
78.95781	4.2
83.69864	1.0
96.95919	1.2
133.04468	1.2
134.04680	2.7
155.94504	1.3
162.83859	1.8
164.83453	1.6
232.83766	1.5
273.43829	1.1
341.07895	19.0
358.12683	1.1
409.37692	1.2
410.14984	4.3
465.97757	1.5
473.25790	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	473.1297
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36810	2.7
59.01258	2.7
70.16703	6.8
75.00753	6.9
96.84174	2.6
98.20075	7.3
102.65444	3.2
109.02847	25.5
135.04405	100.0
136.04721	5.1
149.05992	36.4
150.06314	2.9
161.02348	5.3
161.05951	4.4
163.03903	3.9
168.97719	3.0
173.05968	7.4
177.05434	7.3
179.03345	3.8
189.05476	12.6
191.07088	6.7
195.06500	4.0
203.07002	4.1
207.06583	11.9
219.06526	5.1
221.04474	20.1
231.06598	20.0
235.06093	23.0
239.05565	16.7
249.07632	12.8
253.07159	3.9
297.09906	3.1
311.07697	4.8
311.11322	4.9
383.09998	3.7
401.10855	13.0
413.10803	6.1
415.12424	5.7
430.58679	2.8
443.11905	8.7
473.12827	12.6
473.36063	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	473.1086
Annotation	Vitexin 3''-O-acetate
Peak:m/z	Relative Intensity
56.98101	0.3
59.01246	17.0
69.49014	1.1
69.49429	1.2
71.01249	0.6
73.02789	0.5
77.30618	0.3
83.01248	0.4
98.20538	0.6
101.02335	0.7
103.01780	0.5
109.02897	0.6
117.03366	0.4
131.01276	4.3
132.02106	0.4
133.02840	17.7
134.03166	0.6
135.98218	0.8
139.71024	0.4
149.02345	0.6
161.02332	0.5
163.00220	0.7
163.03897	0.5
173.02356	3.7
175.00284	11.3
175.03934	0.9
176.00543	0.4
177.01826	0.5
181.06552	0.7
182.65469	0.4
191.03400	0.4
193.01318	0.3
201.01846	0.7
209.05986	1.0
211.03825	0.4
218.65889	0.3
223.04007	0.4
225.05484	0.6
227.03464	0.4
235.03979	0.7
236.04716	0.7
237.05495	1.6
239.03339	0.6
251.03285	0.4
253.04994	1.4
263.03546	0.6
264.04208	0.6
265.05060	2.3
266.05396	0.5
267.02908	2.7
281.04550	1.6
282.04984	0.4
284.03162	0.8
285.03931	1.7
291.02899	0.7
293.04419	0.4
294.05240	0.3
297.04041	3.5
298.04776	2.8
299.05429	1.0
308.03220	0.4
309.04019	100.0
310.04352	9.4
311.02258	0.4
311.05405	2.0
313.03442	0.4
316.16666	0.4
322.04761	0.9
323.05524	0.9
324.02652	0.5
325.03250	0.9
327.05051	2.4
327.46915	0.3
337.03314	0.7
338.03967	0.6
339.04938	2.4
341.02744	0.4
341.06693	5.7
342.07257	0.5
351.04935	3.1
357.05945	0.6
369.06125	11.3
370.06421	1.0
381.06128	0.9
395.07529	0.8
399.07098	1.3
413.08743	48.1
414.09055	6.5
455.09622	0.9
473.10846	23.7
474.11166	3.6
493.36304	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2596
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52032	7.1
59.01251	100.0
61.98695	23.3
69.85700	33.7
71.01241	40.7
78.86698	9.6
79.10294	8.7
79.12089	7.7
85.02772	11.4
89.02322	52.5
101.02328	16.3
108.03914	7.6
119.03365	12.2
122.93942	9.5
127.41103	8.9
165.12816	14.6
179.05577	12.1
240.32498	7.9
274.88889	8.3
291.19678	39.6
292.19852	11.5
307.65860	8.6
319.67007	9.6
421.30826	8.8
471.34610	27.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1086
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61372	0.3
59.01249	12.4
68.43157	0.3
69.39930	2.1
71.01244	1.0
75.06027	0.3
81.98199	0.2
85.02793	0.4
89.02332	0.7
98.02319	0.4
101.02303	0.5
103.01782	0.7
113.02304	0.4
117.03328	4.4
118.03715	0.3
119.03428	0.3
131.01282	4.5
132.01701	0.4
134.54720	0.3
135.98262	0.3
137.76064	0.3
140.13432	0.3
161.04449	0.5
163.03905	0.6
173.02371	2.1
175.00281	12.9
176.00569	0.6
179.10693	0.6
193.01266	0.3
221.06062	0.4
237.05646	0.8
249.05585	0.4
264.04312	0.3
265.05026	0.5
269.04633	0.4
281.04541	0.3
293.04550	100.0
294.04892	9.7
294.07449	0.2
295.06119	0.4
311.05499	1.0
335.05566	0.8
353.06573	0.8
413.08752	21.3
414.09058	2.8
473.11282	2.1
474.11212	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2598
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01766	0.4
57.03322	2.3
59.01253	3.2
64.13180	0.3
68.55986	0.2
69.03325	0.5
71.01259	2.3
71.59926	0.3
72.99179	0.5
73.02838	0.6
74.92918	0.3
83.01257	0.8
83.04887	0.4
85.02824	9.6
87.00757	1.5
89.02307	0.5
96.95907	0.3
97.02840	0.6
97.06470	1.6
101.02328	1.0
109.29369	0.3
111.00768	3.0
111.08047	1.0
113.02334	0.7
113.09636	1.4
115.07532	1.0
117.01840	0.3
124.05149	0.3
125.02335	0.4
125.05986	0.5
126.06725	0.3
129.01839	4.3
137.09662	0.4
139.11183	0.4
141.09129	0.9
148.64464	0.3
160.99387	0.3
161.04485	1.8
163.11230	0.6
165.12752	1.7
167.10687	0.7
167.14323	1.6
179.05533	3.3
181.12234	3.2
183.13809	0.8
193.12212	1.1
195.13817	1.1
197.11841	0.4
205.03479	3.9
205.35321	0.3
209.11725	1.5
211.13351	2.7
213.14838	0.5
217.15808	0.3
221.15413	1.2
223.04634	0.5
229.14459	0.4
239.12750	0.5
240.13589	1.3
241.14581	0.4
242.15175	0.4
245.19054	0.4
247.20627	3.1
248.20935	0.4
263.20087	0.5
265.17981	0.4
265.21832	0.7
273.18567	2.5
281.21255	1.2
286.52618	0.3
286.55829	0.3
291.19666	25.3
292.19968	2.7
293.21219	0.4
309.20706	100.0
310.21072	9.9
471.25955	2.4
471.34949	0.3
472.25708	0.5
477.68845	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2598
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	2.9
59.01257	10.8
61.98713	2.5
65.03479	1.4
69.94185	1.4
70.06922	5.4
70.73061	1.3
71.01252	8.6
73.02813	5.3
85.02835	7.7
89.02323	2.4
96.95917	3.5
97.02846	2.1
98.20560	2.6
98.46942	1.8
100.49668	1.9
101.02303	9.1
113.02342	6.2
129.01848	1.6
129.48489	1.6
151.27193	1.8
161.04442	1.9
165.12773	4.0
171.10179	5.0
181.12286	3.2
189.09322	1.7
211.13327	3.9
221.15387	2.7
247.20743	3.1
250.70874	1.8
261.01846	1.6
273.18610	3.2
291.19659	25.0
292.20062	1.9
293.21262	10.2
309.20709	100.0
310.21158	8.7
310.24130	1.8
315.19656	2.4
333.20715	8.9
351.21829	2.2
367.18970	2.9
375.21423	2.3
381.16751	6.1
383.18140	2.8
397.20410	1.7
402.12943	2.9
411.17792	5.6
411.23264	1.7
471.14481	2.7
471.19980	4.7
471.26056	4.3
471.34848	4.0
472.34622	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2594
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03561	0.5
55.01752	0.7
57.03320	3.2
58.00463	2.2
59.01246	35.1
61.98684	0.7
69.35960	5.6
71.00848	1.4
71.01247	27.1
72.99178	2.4
73.02813	4.6
80.55302	0.6
80.61765	0.6
80.96394	1.1
83.01260	3.2
83.04899	1.0
85.02827	7.7
87.00755	1.7
89.02316	12.9
95.01252	1.7
96.95891	2.8
97.06474	1.1
99.00745	1.8
101.02317	15.7
109.06440	0.6
111.00762	1.0
111.08064	1.4
113.02330	8.5
114.97507	0.6
119.03390	5.2
121.06470	0.6
123.08019	0.8
124.48181	0.6
125.02343	2.0
125.09611	1.7
129.01811	1.6
133.27177	0.7
139.11179	0.9
143.03401	0.8
149.09636	0.8
151.11182	3.5
161.04443	1.0
162.89488	0.8
163.11183	1.3
165.12755	3.3
167.10646	0.9
167.14223	0.6
170.78938	0.6
171.10141	1.5
173.20808	0.6
175.11330	0.6
181.12254	2.1
185.11667	0.9
191.10751	0.7
193.12320	1.1
193.15868	0.7
197.11732	5.8
199.13301	1.8
205.12151	1.2
209.11760	1.7
211.13318	20.9
212.13712	2.0
217.15837	1.9
221.11746	0.6
223.13338	0.9
233.11563	0.8
247.20665	2.7
271.20612	2.5
273.18549	2.3
291.19641	44.2
292.19952	3.9
293.21204	12.3
294.21478	0.9
307.19217	0.8
309.20694	50.8
310.20993	5.0
315.19604	7.4
330.18237	0.7
333.20660	11.7
345.20724	2.3
351.21655	2.6
363.21747	2.2
375.21988	0.8
381.22668	2.1
411.23950	3.4
412.24246	0.7
471.25961	100.0
472.26297	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	471.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01763	0.5
57.03318	0.9
59.01249	100.0
60.01581	1.2
65.54517	0.4
71.01250	10.1
72.99173	0.6
73.02815	11.1
79.95605	0.4
80.96387	1.0
83.01257	2.6
84.00444	0.3
85.02827	2.0
87.00752	0.5
89.02322	3.7
95.01284	0.6
97.02855	0.6
98.19857	0.9
99.04378	0.3
101.02319	8.3
109.02814	0.3
113.02326	3.0
116.04963	0.6
119.03382	1.3
125.02340	0.4
131.03418	0.5
137.09616	1.2
143.03439	0.5
149.04411	0.5
161.04453	2.3
164.06984	0.4
211.13303	0.8
225.00641	0.4
309.04102	0.8
381.05984	0.5
385.92471	0.4
385.97791	0.4
411.19919	0.8
429.21161	1.4
468.85248	0.4
471.15680	1.2
471.22314	12.7
472.22681	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	471.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
57.95220	0.4
59.01249	100.0
60.01579	0.9
69.53763	2.0
71.01254	2.8
73.02811	2.8
81.55759	0.3
83.01271	0.7
85.02842	0.6
86.69778	0.3
88.04758	0.3
89.02320	0.7
101.02327	3.5
113.02313	1.5
119.03407	0.7
122.66609	0.3
137.09604	0.4
149.04434	0.6
161.04532	1.2
251.31476	0.4
313.03656	0.5
329.47723	0.3
445.07626	0.4
485.97565	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2232
Annotation	Unknow
Peak:m/z	Relative Intensity
54.11770	0.6
57.03310	3.5
59.01247	100.0
60.01583	1.3
61.98716	1.1
68.02402	9.6
68.48224	0.5
69.03333	0.7
69.21252	5.4
71.01250	7.9
72.99152	0.7
73.02811	4.7
78.95765	6.7
80.19310	0.5
82.95242	0.6
83.01252	2.1
83.04881	0.6
85.02822	2.1
89.02310	2.4
95.01221	0.8
96.96851	0.8
99.00714	0.7
99.04397	0.6
101.02322	5.2
102.98465	0.6
105.03284	0.6
109.06470	0.9
113.02308	2.6
114.05431	0.6
115.00262	0.6
119.03352	1.1
120.99541	0.6
125.02316	0.6
126.99454	38.4
131.05164	0.5
137.09581	1.2
139.03857	1.0
145.06058	1.9
152.98340	0.8
152.99474	10.4
154.99664	0.7
161.04445	1.5
183.13791	3.6
192.11395	1.8
193.12120	1.0
205.15857	1.0
207.13846	16.8
208.14154	1.6
211.13324	41.0
212.13644	3.5
227.03206	1.6
249.14801	2.2
267.15958	1.1
320.80624	0.5
343.04437	1.0
429.21097	0.8
439.17422	3.7
445.07373	1.1
471.09259	0.7
471.19852	18.3
471.34579	0.9
472.20544	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01755	3.3
57.03323	16.3
59.01250	9.6
61.02016	0.8
61.98684	0.8
67.01756	1.0
69.03309	0.9
71.01254	8.3
71.49968	1.2
72.99178	1.5
73.02811	2.8
75.00728	1.6
83.01254	10.5
84.02040	2.3
84.98024	0.7
85.02821	100.0
86.03144	2.6
87.00750	4.9
89.02326	1.2
96.95833	0.9
98.92437	0.8
99.00751	2.2
99.10191	0.8
101.02327	5.1
111.00764	29.9
111.08031	4.5
112.01132	1.5
113.02360	1.6
121.06491	0.8
125.02335	1.6
125.09600	1.1
129.01828	51.6
130.02190	1.8
141.70436	0.7
161.04486	6.3
169.12251	0.9
171.10161	0.7
174.71313	0.7
177.03333	1.0
179.05534	7.1
187.02460	1.7
197.11751	13.2
198.12151	1.4
199.13232	1.0
205.03473	34.7
206.03709	1.7
211.13292	2.1
221.15492	1.1
223.04526	7.4
247.17097	1.5
265.18140	3.3
291.19693	10.3
292.20175	0.8
295.76752	0.8
309.20721	20.4
310.21036	2.2
333.20703	0.7
471.26358	12.9
471.34601	1.5
472.25809	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	471.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
54.95142	0.5
55.01763	2.7
56.18989	0.5
57.03051	1.1
57.03323	16.6
57.37580	0.7
59.01250	6.6
61.98678	0.6
67.01765	1.1
68.99683	0.7
69.19663	6.4
70.59760	0.5
71.01247	8.2
72.99176	1.4
73.02816	2.6
75.00738	1.2
80.96384	0.8
83.01257	9.4
84.02050	3.0
85.02821	100.0
86.03152	2.0
87.00747	2.5
89.02309	0.7
96.95887	0.7
97.06464	0.8
99.00780	1.2
101.02325	5.8
111.00764	31.7
111.08043	1.8
112.01030	1.2
113.02328	2.9
128.27499	0.6
129.01828	52.2
130.02136	1.2
135.07866	0.6
139.03970	0.8
158.08279	0.6
161.04446	4.2
171.10164	3.0
177.03340	0.8
179.05495	2.4
180.25577	0.6
185.11765	1.7
187.02342	2.0
190.70508	0.6
195.13861	1.3
197.11710	5.4
205.03467	38.7
206.03812	1.6
211.13330	1.9
223.04489	6.3
245.60701	0.6
265.17987	3.3
291.19653	7.9
293.21173	1.3
309.20712	17.8
309.66104	0.6
310.21045	2.5
333.20551	0.9
471.26617	7.8
471.34241	1.1
472.25995	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
54.95142	0.5
55.01763	2.7
56.18989	0.5
57.03051	1.1
57.03323	16.6
57.37580	0.7
59.01250	6.6
61.98678	0.6
67.01765	1.1
68.99683	0.7
69.19663	6.4
70.59760	0.5
71.01247	8.2
72.99176	1.4
73.02816	2.6
75.00738	1.2
80.96384	0.8
83.01257	9.4
84.02050	3.0
85.02821	100.0
86.03152	2.0
87.00747	2.5
89.02309	0.7
96.95887	0.7
97.06464	0.8
99.00780	1.2
101.02325	5.8
111.00764	31.7
111.08043	1.8
112.01030	1.2
113.02328	2.9
128.27499	0.6
129.01828	52.2
130.02136	1.2
135.07866	0.6
139.03970	0.8
158.08279	0.6
161.04446	4.2
171.10164	3.0
177.03340	0.8
179.05495	2.4
180.25577	0.6
185.11765	1.7
187.02342	2.0
190.70508	0.6
195.13861	1.3
197.11710	5.4
205.03467	38.7
206.03812	1.6
211.13330	1.9
223.04489	6.3
245.60701	0.6
265.17987	3.3
291.19653	7.9
293.21173	1.3
309.20712	17.8
309.66104	0.6
310.21045	2.5
333.20551	0.9
471.26617	7.8
471.34241	1.1
472.25995	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15015	0.7
59.01255	6.9
60.11000	0.8
71.01241	3.9
72.99178	0.9
73.02816	3.5
85.02807	2.1
87.00756	1.4
89.02311	1.1
101.02312	2.3
117.03348	27.8
118.03689	0.9
119.04919	25.4
120.05206	1.1
131.03439	1.0
133.06467	2.1
138.59708	0.9
143.03352	1.0
144.05753	0.7
145.02849	100.0
146.03210	5.4
159.04413	2.1
161.02313	1.0
161.05981	2.4
163.03915	55.2
164.04277	2.4
177.05522	0.9
187.03931	4.8
187.46458	0.7
205.05054	4.0
205.06856	0.9
217.05225	0.8
322.92065	0.8
340.39447	0.8
471.14944	2.5
471.34604	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	471.1508
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	0.7
69.72549	1.6
71.01252	0.6
79.54042	0.3
85.02801	0.5
87.00769	0.4
89.02358	0.6
93.03350	0.6
97.28155	0.4
101.02334	1.0
115.44286	0.3
119.04919	100.0
120.05258	5.1
121.02850	0.7
133.46188	0.3
135.68852	0.4
142.12593	0.3
163.03923	83.2
164.04251	3.9
187.36229	0.4
205.05173	0.5
238.99864	0.3
272.19806	0.3
335.81891	0.3
471.15085	17.1
472.15311	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.3321
Annotation	Ganoderone C
Peak:m/z	Relative Intensity
53.64401	0.4
65.30474	0.4
71.07893	0.5
71.08211	0.5
77.81209	0.4
104.28698	0.4
123.07997	1.4
133.12045	0.4
133.34193	0.4
152.99480	0.4
249.86288	0.5
295.22803	0.6
325.25418	2.1
325.28683	0.4
357.24323	0.9
439.32144	100.0
440.32495	16.5
440.37378	0.3
469.33203	90.6
470.33524	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	469.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	7.4
66.08593	4.5
69.99725	20.5
71.01254	6.6
75.00758	6.4
84.82378	3.6
86.13159	3.7
88.98703	4.5
97.90757	4.2
98.81587	3.9
114.99025	4.8
121.02850	11.4
129.77065	4.4
135.02942	5.8
135.04405	9.2
153.86281	4.4
163.11252	5.3
165.12766	7.8
174.01575	9.6
175.07509	4.7
178.09818	6.2
192.11549	4.5
211.13185	5.9
213.80101	4.3
223.13156	4.1
231.17664	6.2
259.42731	4.0
273.22336	4.6
301.21555	9.9
317.21216	24.4
319.22672	13.9
321.09531	5.5
329.21121	21.3
333.20740	13.7
335.22247	15.3
341.21176	4.6
345.20728	4.7
347.22241	100.0
348.22757	11.0
359.22568	4.8
363.21722	21.7
371.22098	13.8
373.20209	78.6
374.20270	7.1
377.23279	4.8
378.88623	5.1
385.20215	7.2
389.23459	20.1
391.21268	21.3
397.20538	5.3
403.21274	47.1
404.21393	7.8
405.22974	5.4
415.21371	42.6
433.22238	63.6
434.22333	9.4
451.23242	22.9
452.23438	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	469.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01238	11.6
66.18626	4.2
69.66627	5.2
70.51590	5.2
71.01235	7.4
71.15506	7.5
71.15835	6.0
75.00739	9.9
87.00746	6.6
99.00727	5.9
102.67001	5.2
115.00296	5.6
121.02828	16.0
122.03618	6.0
135.04387	11.9
136.07281	4.5
149.06046	6.1
151.11198	5.2
167.10652	7.5
174.01581	14.0
175.07523	4.5
178.09836	8.1
179.10632	5.2
192.11531	11.4
193.12288	5.2
225.99821	4.9
253.51111	5.9
279.23380	5.6
285.22247	7.4
288.53693	4.9
317.21161	28.5
319.22800	14.0
329.21179	23.3
331.22656	6.9
333.20630	19.9
335.22241	17.1
345.20966	6.6
347.22250	100.0
348.22528	12.3
363.21686	22.2
371.22162	13.9
373.20230	80.5
374.20166	5.9
377.23126	5.9
385.19843	5.8
389.23364	24.6
391.21243	37.3
397.20029	6.9
403.21347	55.9
404.21613	8.8
405.22708	5.7
415.21249	38.4
416.21454	5.1
433.22409	55.6
434.22656	7.7
451.23471	30.9
451.32080	6.1
469.24316	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	469.244
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82933	0.9
50.85474	1.1
57.03325	0.9
59.01241	1.7
61.98698	1.4
69.39733	2.8
69.40153	3.8
71.01260	3.4
72.99174	9.3
75.00746	2.7
83.01272	2.7
85.02798	1.1
87.00758	2.2
98.19807	1.4
99.00762	3.8
111.00771	2.8
111.04396	0.9
112.98676	8.1
113.99463	2.4
115.00245	3.2
117.01836	1.7
118.22440	0.9
127.11162	2.1
135.02882	6.5
141.12755	1.1
142.99747	11.9
156.00523	8.3
173.00821	7.8
174.01607	100.0
175.02304	9.3
211.13396	2.2
223.13287	1.3
227.98305	1.1
237.11342	3.4
239.12749	1.1
279.12268	1.3
279.23465	1.0
289.21539	0.9
295.22787	11.3
307.22849	9.3
308.23190	1.1
309.24219	2.1
321.24164	2.2
333.20715	2.2
333.94702	1.0
335.22284	1.5
347.22253	7.7
351.21851	9.4
352.22113	1.1
365.23318	2.0
369.22745	1.8
391.21127	1.1
399.36536	1.0
407.24823	1.5
409.22308	4.2
410.22882	1.2
451.23038	2.2
453.74957	1.2
469.24493	3.5
469.33646	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	469.244
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26299	1.5
59.01241	6.5
61.98696	5.8
63.28490	1.6
71.01260	5.3
71.49769	2.6
72.99185	10.2
75.00745	13.9
83.01244	2.1
87.00777	2.3
89.02335	1.9
96.95908	1.5
99.00758	4.7
111.00771	2.1
112.98687	6.3
113.99426	2.6
115.00258	2.1
115.53999	2.0
117.01804	2.4
127.11197	2.7
131.06721	1.5
135.02892	35.8
141.12738	5.3
142.99767	11.9
155.94316	1.9
156.00514	3.1
173.00842	11.6
174.01613	100.0
175.02209	7.2
237.11246	2.0
269.07126	3.7
279.23282	6.2
295.22827	20.5
296.23154	2.6
302.58325	1.6
307.22845	18.8
308.23123	3.8
329.21124	2.1
333.20691	7.6
335.22488	2.3
347.22144	8.0
351.21783	16.3
373.20078	3.6
391.21194	3.3
409.18518	2.4
429.53296	2.1
451.23535	6.8
469.24338	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	469.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	1.8
59.01261	4.9
67.09026	1.6
70.38468	2.7
70.38835	5.1
71.01250	11.3
72.99169	5.2
73.02842	1.9
75.00747	16.5
83.01269	5.5
85.02818	2.8
85.76137	1.5
87.00752	7.4
90.17941	1.5
99.00758	15.2
108.56628	1.5
110.02228	1.5
111.00764	4.4
112.98684	27.6
115.00258	11.5
117.01824	2.4
129.88557	1.4
135.02884	8.0
142.99767	30.7
145.01372	2.1
152.75159	1.7
165.12807	2.6
173.00832	15.7
174.01611	100.0
175.02324	15.4
175.07681	2.1
178.09935	2.3
275.61923	2.1
279.23129	3.6
295.22830	9.0
307.07947	1.6
307.22754	5.2
317.21228	2.3
319.22797	4.3
329.21201	3.6
333.20657	12.6
347.22278	12.8
348.22672	1.9
351.21930	8.4
363.49496	1.7
373.20258	10.9
389.23306	2.4
391.21176	5.1
409.22516	1.7
433.22083	2.4
451.23340	8.8
469.24078	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	469.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
54.85730	2.7
59.01230	5.1
61.98708	3.1
68.71239	3.0
71.01254	6.6
71.22842	6.3
72.99175	18.0
75.00741	21.0
80.88116	2.9
81.34740	3.2
84.40604	3.0
89.29752	3.2
99.00758	9.7
101.32286	3.0
112.98694	10.5
113.09625	4.0
113.69838	2.6
115.00246	3.6
115.24623	2.8
117.01830	3.8
118.42700	3.3
118.45918	3.0
121.02799	3.3
121.23859	3.1
135.02887	36.3
135.04399	3.1
142.99771	15.8
151.03920	4.8
156.00529	7.9
165.12729	10.3
170.84380	3.0
173.00845	4.8
174.01607	100.0
175.02423	6.0
175.07576	4.2
178.09924	3.3
193.12413	2.9
210.45253	2.9
229.23576	3.4
279.23282	17.6
289.21701	3.2
295.22775	19.3
307.22784	26.2
315.19504	5.7
317.21118	6.9
319.22830	6.7
329.21249	12.2
333.20737	43.6
333.24463	2.9
334.20929	5.2
335.22272	9.1
347.22241	29.4
348.22574	3.1
351.21664	40.5
352.21976	4.5
363.21515	4.2
365.23373	3.3
369.22980	5.1
373.20227	27.2
385.19925	4.1
389.23325	9.6
391.21295	10.5
403.21228	9.1
409.22208	5.6
415.21088	11.8
433.22290	23.8
451.23373	19.2
452.23712	6.3
469.24301	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	469.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
54.67313	8.6
59.01233	13.0
61.98699	30.1
62.44768	9.0
71.51382	13.1
72.99201	17.9
75.00769	16.6
79.91576	9.7
84.37097	10.5
87.00733	20.9
97.94622	10.6
101.42169	9.6
115.00237	22.3
117.01719	11.3
135.02895	44.5
154.82965	9.7
174.01614	100.0
175.02449	19.4
208.02164	9.5
292.32553	10.6
295.22647	17.5
299.07965	10.5
307.22662	10.8
311.22241	27.7
351.21655	17.4
410.14630	10.5
469.24341	31.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01233	1.9
61.98687	0.7
67.01711	0.5
70.78796	1.4
71.01222	0.9
85.49472	0.6
94.06469	3.6
97.06435	0.6
106.06419	0.6
107.03642	5.5
115.88763	0.5
120.04439	1.0
122.06005	37.8
123.06310	1.5
124.07558	2.4
134.06000	2.9
139.02641	2.8
150.05490	0.6
152.07072	70.6
153.07448	2.1
160.89067	0.7
162.05513	5.6
169.05247	1.1
171.10144	1.3
174.01881	5.6
188.07079	6.6
201.07864	1.7
206.04501	0.7
216.10231	25.9
216.12315	1.3
217.10606	2.5
218.04514	0.7
228.10170	1.1
260.09549	1.2
260.12894	24.7
261.13193	1.3
304.11914	1.5
309.14835	0.6
311.10287	1.0
335.17532	0.7
339.09787	4.9
347.22079	0.7
353.18610	0.9
381.18433	0.7
397.21597	1.1
419.24210	0.7
425.16357	1.8
425.21564	6.0
426.21359	0.9
441.20416	1.3
469.19708	100.0
470.20047	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	469.0774
Annotation	Unknow
Peak:m/z	Relative Intensity
55.03380	0.4
59.01254	6.0
61.78460	0.4
61.98699	3.7
63.44341	0.5
69.44321	1.4
69.44738	2.2
71.01249	3.5
72.99213	0.6
73.02802	0.9
78.95792	0.7
85.02812	1.2
89.02321	1.1
96.95874	0.8
99.00739	0.5
101.02320	1.9
109.02816	2.1
113.02351	1.3
117.03333	0.5
133.02855	14.5
134.03537	1.1
145.02887	0.7
148.01523	0.6
149.02309	0.5
161.02417	0.5
161.04483	0.6
165.04108	0.8
171.10141	1.0
173.02327	1.3
175.03941	0.7
177.01862	0.6
187.03856	0.8
189.01930	2.2
191.03447	0.4
199.03874	0.5
201.01839	5.5
202.02370	0.6
213.01852	1.1
215.01680	0.5
215.03395	2.9
217.01320	2.8
225.01898	1.4
229.01428	0.5
231.02861	1.1
243.02953	6.1
244.52342	0.5
245.00877	10.1
246.01318	0.6
247.09743	0.5
261.65067	0.6
262.06122	0.5
263.14969	1.2
273.04196	1.0
285.04086	0.9
289.04926	0.5
293.04587	1.5
295.05902	0.7
305.04486	0.9
307.06119	0.6
322.05069	0.5
323.05798	1.0
332.90768	0.5
333.03989	0.6
335.05176	1.3
337.03601	1.1
349.03467	2.0
350.04065	2.2
351.04965	1.6
365.06506	0.9
379.04529	16.1
380.04926	2.3
382.03333	1.1
409.05557	2.3
409.20670	2.6
469.07718	100.0
470.07993	13.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50865	4.9
57.03301	5.8
58.54882	4.9
63.92359	5.1
71.01266	6.5
71.27176	11.8
72.99168	19.7
75.00751	28.6
82.27074	4.7
86.79012	5.7
87.00716	6.2
96.34748	6.7
99.00746	19.5
103.29627	5.1
110.55069	4.7
111.08008	6.8
112.98680	12.0
115.00253	7.2
117.01785	8.9
135.02885	56.0
142.99736	25.8
165.12697	16.0
173.00813	8.8
174.01610	100.0
175.02354	10.3
277.21695	24.9
293.21198	22.1
305.21307	41.3
306.21344	5.6
307.22836	6.1
315.19580	7.3
331.19070	53.9
332.12704	8.4
345.20627	30.1
349.20145	19.6
369.20868	8.4
371.18530	53.3
372.18890	8.1
389.19785	12.0
395.18585	5.9
395.51096	6.1
401.19699	9.5
413.19400	9.8
431.20486	9.3
449.21774	17.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
58.70750	12.6
58.77944	12.8
59.01244	14.3
61.98714	15.6
71.69776	13.1
78.95786	17.8
83.29325	15.7
92.23369	12.6
97.54600	15.2
152.99483	28.2
181.58459	13.1
206.10881	12.9
283.20706	13.4
331.19067	19.3
345.20691	93.3
361.20261	20.3
369.20718	23.9
371.18707	100.0
372.19089	16.3
387.21667	17.4
389.19537	30.5
401.19434	21.0
413.19604	39.8
431.20468	43.4
449.21686	23.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.1298
Annotation	Unknow
Peak:m/z	Relative Intensity
56.38727	0.6
59.00009	0.6
59.01234	1.6
61.98420	0.6
61.98683	4.0
65.93262	0.6
68.01288	4.1
68.87104	0.6
71.49113	0.8
74.38586	0.6
104.79390	0.6
110.02367	1.0
119.04869	0.9
131.03653	1.0
147.04416	100.0
148.04738	4.8
170.98973	0.7
174.05554	0.8
177.03401	0.7
278.30667	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.1297
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39400	0.9
59.01244	1.4
61.98700	11.5
62.64100	0.8
65.39935	0.7
68.01280	3.1
70.25837	1.9
70.26202	1.8
71.01251	0.8
78.19418	0.8
91.94216	0.8
93.70699	0.7
110.02348	2.0
111.48893	0.8
131.03650	1.0
147.04417	100.0
148.04756	5.5
174.05588	0.9
208.65984	0.8
365.07800	0.9
424.09723	1.1
439.11649	2.1
454.14230	4.9
469.16852	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	468.1509
Annotation	Indol-3-ylacetyl-myo-inositol L-arabinoside
Peak:m/z	Relative Intensity
53.19590	1.8
55.01735	1.8
58.00460	1.7
59.01012	2.0
59.01259	27.7
61.21806	1.6
64.58215	1.6
71.01251	33.5
71.51224	1.9
72.99178	3.5
73.02830	10.4
83.01254	6.8
85.02834	12.1
87.00739	2.2
89.02297	9.2
95.01235	1.8
96.95915	1.7
97.02694	1.6
99.00763	4.2
101.02324	36.6
113.02317	12.2
130.06516	75.5
131.03409	2.0
131.06825	2.9
135.04362	2.3
161.04446	5.1
172.07597	3.6
174.05573	3.0
200.07005	8.3
223.01253	1.5
292.11887	43.6
293.12198	3.3
336.10831	26.1
337.11316	2.1
468.15060	100.0
469.15189	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	467.2283
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87980	2.1
59.01240	10.2
61.98714	4.5
69.59161	6.7
69.59587	9.3
71.01246	14.5
72.99181	7.5
75.00747	14.4
78.95780	5.4
83.01244	5.9
85.02836	3.7
87.00752	11.2
87.24390	2.0
99.00743	12.1
111.00752	6.3
112.98680	35.7
115.00268	20.5
127.00198	2.3
135.02904	15.2
142.99751	34.0
165.12767	2.2
173.00871	16.1
174.01608	100.0
175.02400	26.0
197.89723	2.4
217.08258	2.4
239.87930	2.4
277.21851	4.6
283.20789	2.9
287.20343	2.3
293.21274	14.8
305.21310	14.4
317.21231	3.6
327.19614	3.8
331.18951	12.8
333.20697	2.7
345.20609	18.6
349.20242	4.7
361.20056	2.8
371.18625	14.9
384.22122	2.3
387.21371	3.0
389.19647	6.4
430.90955	2.3
431.20770	2.8
449.21841	9.5
467.23248	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82621	1.1
52.85591	1.1
54.47923	1.1
56.18686	1.1
57.03315	1.7
59.01242	3.6
71.01258	4.1
71.04899	1.2
71.51149	1.1
72.99181	10.4
75.00748	5.0
75.02209	1.0
80.02555	1.1
83.01249	1.7
87.00769	2.5
94.39103	1.0
99.00756	4.4
111.00761	2.8
112.98707	7.7
113.99486	2.4
114.89401	1.2
115.00258	3.2
117.01859	2.5
135.02902	10.9
142.99785	15.9
156.00487	5.6
164.04591	1.3
173.00810	10.0
174.01611	100.0
175.02280	6.9
175.38695	1.2
181.13808	1.2
235.13367	1.5
237.11327	2.3
277.21817	1.9
293.21158	12.7
305.21155	10.4
307.91394	1.1
319.22748	3.1
331.19290	1.2
333.20645	1.4
345.20712	5.0
349.20108	10.4
363.21725	2.2
371.18665	1.5
389.19635	2.3
407.20895	5.2
431.21094	1.7
449.21939	3.7
467.22647	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	467.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01761	1.2
57.03326	2.6
58.00459	1.8
59.01246	100.0
61.98680	1.8
69.46553	8.4
70.04225	1.2
71.01251	37.0
72.99174	4.4
73.02807	22.0
75.00734	1.7
81.03326	2.6
83.01247	3.7
83.04897	6.8
85.02296	1.3
85.02814	24.8
86.03284	1.2
87.00738	7.4
87.04371	3.4
88.91388	1.0
89.01759	1.7
89.02312	30.1
97.99622	1.2
98.02330	1.7
99.00771	2.2
99.04415	1.7
101.02321	43.2
103.03891	13.5
103.81969	1.1
108.01927	5.5
109.02770	1.1
113.02319	7.5
115.03896	2.5
119.03381	10.4
120.99570	3.2
125.02312	2.9
129.01787	1.6
131.03400	7.6
143.03389	10.0
145.04982	5.8
147.02843	2.0
150.01736	4.4
151.02556	11.7
161.04428	3.0
163.06026	58.0
164.06378	1.3
165.04126	2.2
171.10176	25.9
172.10478	2.4
178.83678	1.2
179.05576	6.0
179.06989	1.2
191.01909	4.4
205.07100	22.3
209.03038	6.2
217.06805	3.4
219.08801	58.3
220.09055	3.6
225.15997	2.2
231.15862	3.9
253.09177	2.8
261.13345	1.2
263.11453	14.3
265.09207	5.6
351.13089	2.6
355.43689	1.4
404.28510	1.2
407.19138	20.0
408.19284	2.1
449.31189	4.6
466.31165	1.7
467.09665	1.1
467.32562	13.4
468.32849	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.333
Annotation	Unknow
Peak:m/z	Relative Intensity
57.27477	2.1
58.02837	7.4
59.01233	6.5
71.51167	2.8
72.00790	4.0
74.02340	71.8
78.95777	5.4
86.02319	2.3
91.30110	2.2
100.69968	2.6
104.03397	23.9
116.07057	5.5
116.92717	3.4
125.07100	2.9
129.10234	82.7
130.10616	2.9
139.08644	4.3
141.10233	77.5
157.09703	5.4
159.11281	7.6
173.09213	6.1
278.24982	3.9
309.53741	2.3
360.29007	9.8
378.30106	8.0
391.33261	3.6
392.33881	2.8
403.33340	14.6
421.34302	3.0
435.32278	74.5
436.32471	14.7
451.29227	2.5
465.33310	100.0
466.33798	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	466.2936
Annotation	1-heptadecanoyl-glycero-3-phosphoethanolamine
Peak:m/z	Relative Intensity
64.23811	0.8
66.67397	0.7
69.45176	5.3
74.45586	0.7
78.95773	27.8
96.71319	0.7
97.68092	0.8
136.05179	0.8
140.01039	4.3
149.05984	1.4
152.99442	4.0
171.00566	2.6
191.32782	0.7
196.03734	9.4
214.04797	2.2
269.24844	100.0
270.25186	8.3
343.19113	0.7
466.29321	34.8
467.29971	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	466.2935
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	0.8
71.51280	0.7
78.95773	16.8
94.95615	0.5
108.23539	0.5
152.99454	1.8
154.02628	3.7
210.05301	7.4
228.06422	2.4
255.23262	100.0
256.23615	10.2
466.29355	23.7
467.29672	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	465.234
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	4.8
58.00467	1.4
59.01249	100.0
60.01588	0.8
61.98702	0.8
63.47044	0.3
66.09808	0.3
68.99692	0.3
71.01250	19.5
71.18408	0.4
71.18735	0.6
72.99187	1.5
73.02826	0.8
75.00731	0.6
80.49355	0.3
82.53335	0.3
83.01261	1.0
84.41453	0.4
85.02821	4.5
87.00765	1.2
89.02313	26.9
90.02658	0.4
95.01276	0.8
99.00784	0.7
100.84793	0.4
101.02319	11.2
108.55968	0.3
112.05171	0.8
113.02327	9.2
114.02694	0.4
119.03392	12.3
125.02389	0.4
125.05951	0.3
127.88757	0.3
128.77446	0.4
131.03429	1.1
134.07294	1.0
135.08063	0.7
137.09647	1.3
139.07587	1.2
139.11229	0.4
143.03395	3.3
149.04460	1.3
149.09618	15.6
150.10019	0.8
153.09111	6.2
161.04477	6.0
167.10678	29.5
168.11035	1.9
171.10229	0.4
179.05534	8.2
180.05968	0.6
207.13889	0.8
209.11893	1.0
219.85551	0.4
225.14920	4.6
243.15976	4.9
244.16565	0.5
326.12341	0.4
373.93127	0.4
405.21286	19.5
406.21667	2.4
465.23587	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2706
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26248	0.4
55.01749	1.9
55.32019	0.4
57.03323	1.6
58.00468	0.5
59.01250	57.2
60.01572	0.5
61.98697	0.9
70.21699	0.4
71.01249	14.5
71.30310	0.7
72.01598	0.4
72.99187	1.1
73.02817	4.7
74.78160	0.4
75.00761	0.8
83.01264	3.0
84.23720	0.4
85.02821	8.9
87.00744	1.3
89.02328	2.8
89.70963	0.4
93.42522	0.4
95.01254	1.4
99.00766	1.6
101.02319	11.4
102.02679	0.6
111.00763	1.0
113.02325	5.7
113.07538	0.4
115.00273	0.5
119.03454	0.4
119.46145	0.4
125.02310	0.5
129.01842	0.9
133.02858	1.2
159.02957	0.9
161.04463	2.1
193.01425	0.5
217.46065	0.5
229.14330	1.2
234.10280	0.4
243.19652	0.8
246.73979	0.4
253.09283	0.6
285.04010	1.3
297.04080	0.9
301.03561	0.5
303.20944	0.5
325.03445	0.8
343.04541	1.7
405.25076	2.4
447.25854	4.8
448.26556	0.6
465.26984	100.0
466.17258	0.6
466.27469	12.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2701
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01740	1.1
57.03328	1.3
58.00470	0.7
59.01247	15.1
61.98704	1.3
71.01247	9.2
71.06166	0.5
71.50542	0.6
72.99174	1.1
73.02819	3.2
75.00755	1.1
83.01263	2.7
85.02817	6.9
87.00744	0.8
89.02319	3.2
95.01225	0.9
96.17397	0.6
99.00755	1.1
101.02328	7.7
109.02851	1.0
111.00755	1.7
113.02313	3.3
119.03358	0.8
119.04914	0.5
125.02320	1.6
129.01797	1.3
133.01845	0.5
133.02858	1.6
136.99167	0.6
159.98257	0.6
161.04486	0.9
177.01859	1.2
181.01294	0.7
186.50148	0.5
193.01367	0.6
195.17419	0.5
199.46361	0.5
205.03485	1.1
205.08388	0.6
209.00946	0.5
237.18655	0.9
255.19470	0.6
257.21207	2.3
285.04065	1.3
285.13464	1.0
297.04224	0.9
301.03583	0.8
303.21729	6.4
309.99844	0.5
339.05145	0.6
343.04462	1.1
411.07065	0.8
447.25928	1.7
465.26993	100.0
466.27444	12.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
58.52935	1.9
59.01249	100.0
61.98680	3.2
69.47855	16.8
69.91890	2.1
71.01249	27.1
71.06347	1.8
72.99183	4.9
73.02821	2.8
75.00745	4.6
83.04886	2.1
85.02814	7.5
87.00753	2.6
89.02312	15.9
97.02891	2.0
99.00751	4.1
101.02344	16.2
109.02788	2.3
113.02300	11.2
119.03396	6.4
123.08074	2.3
125.02346	4.4
133.02824	4.6
133.10730	2.1
161.04460	4.9
175.02419	4.4
177.01912	2.7
179.05519	3.6
225.14801	2.8
229.14449	18.4
246.55437	2.6
253.09291	4.7
303.21893	2.9
354.82608	2.1
405.21237	5.2
465.23212	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	465.2341
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56199	3.3
57.03321	8.9
59.01247	100.0
61.98693	11.8
69.43954	26.8
70.33245	2.8
71.01251	54.3
72.99191	4.9
75.00746	42.5
77.30728	2.7
83.01233	3.3
84.35171	2.9
85.02822	12.3
87.00754	4.5
89.02318	54.8
91.34987	2.9
95.76594	3.5
98.19807	4.6
98.20400	10.2
101.02312	26.3
113.02347	23.0
119.03411	22.0
134.48631	3.1
139.54773	2.9
142.27800	3.3
143.03423	5.8
149.04388	3.6
149.09621	27.7
161.04437	10.9
167.10703	41.0
179.05576	17.4
198.01624	3.0
225.03908	4.7
225.07379	4.5
225.14925	10.7
257.69577	3.3
259.06000	3.9
311.66367	3.5
375.14606	6.9
405.21310	49.1
406.21484	4.4
433.20081	3.2
437.24561	3.2
465.11554	9.9
465.17670	4.2
465.23367	12.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1891
Annotation	Unknow
Peak:m/z	Relative Intensity
58.25785	0.5
59.01253	7.5
59.12479	0.4
61.98701	7.3
67.05881	0.4
71.01239	1.4
71.29927	0.9
73.02831	0.8
77.73321	0.4
78.95774	100.0
87.22365	0.4
87.85962	0.4
89.02320	0.7
93.03347	0.5
96.95904	0.5
96.96838	8.7
99.00761	1.3
101.02343	0.5
132.78171	0.4
150.97954	1.7
152.99486	85.8
153.99876	1.4
171.00543	3.1
211.13254	0.4
233.08099	0.6
267.19681	1.5
285.03891	0.7
285.12671	0.7
293.17627	0.8
304.96725	0.4
311.18591	1.0
421.19806	1.0
447.18176	1.9
448.18137	0.7
465.19052	26.7
466.19449	4.2
479.49829	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2258
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01239	1.1
60.14752	0.2
61.98698	3.4
62.96281	0.4
65.04632	0.3
71.01252	0.3
75.03991	0.2
78.95773	100.0
96.96836	6.8
98.19758	0.5
135.26192	0.2
152.99486	20.4
153.99905	0.3
171.00546	40.9
172.00885	0.8
174.01649	2.1
193.73286	0.3
213.14885	2.0
291.19421	0.3
369.22098	0.3
373.17804	1.4
429.19174	0.3
465.22510	46.6
466.22885	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	465.1041
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44768	1.0
52.35900	1.0
57.03318	5.3
59.01248	18.2
61.98697	2.7
65.00189	1.2
65.63168	1.0
71.01251	8.8
71.04897	2.0
71.49450	1.0
71.49848	1.1
72.99165	1.9
73.02830	3.0
78.95793	1.0
81.03336	12.0
83.01254	3.4
83.04886	3.1
85.02830	4.4
85.71673	1.0
87.07699	1.2
89.02322	5.0
95.01257	1.5
95.04887	5.9
97.02818	3.8
99.04392	24.7
101.02325	3.8
101.05951	3.9
105.03341	1.4
108.31866	1.0
109.02827	8.8
111.00803	1.2
111.04388	1.3
113.02338	2.7
114.05481	1.4
119.03387	2.0
119.04942	1.6
121.02805	1.2
123.04411	5.7
125.02332	31.2
126.02663	1.6
127.03924	5.9
133.02863	10.4
135.04411	1.5
137.02318	7.6
138.03081	1.4
139.03893	2.2
145.04964	51.5
147.04370	1.2
149.02344	5.1
161.04543	2.2
163.00352	1.6
163.03848	1.9
164.00987	1.5
165.01886	2.8
166.02606	5.8
167.03409	100.0
168.03757	3.9
175.03857	1.8
177.01869	3.6
179.03377	1.4
179.05490	2.1
191.03444	1.8
191.51630	1.0
192.00551	1.4
193.01311	4.0
197.04497	13.9
199.03935	2.7
207.02753	1.1
209.04520	2.3
212.50648	1.1
217.04974	1.5
221.71175	1.1
235.02425	13.5
241.05019	3.7
265.03409	2.0
266.31216	1.1
269.06299	1.3
274.81952	1.0
285.04056	10.7
286.04364	1.9
287.07767	5.5
329.08871	5.7
345.06049	19.1
346.06369	3.1
355.06815	2.3
375.06668	3.6
465.09741	4.9
465.23697	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	464.2499
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16551	0.4
59.01258	3.3
61.98700	100.0
69.44595	1.1
69.45003	3.3
71.01237	1.3
74.64641	0.5
78.95774	9.1
96.95890	0.7
96.96863	0.6
98.20558	0.9
99.00761	1.0
113.02332	0.7
121.89884	0.5
135.04416	0.8
152.99483	6.4
171.00548	1.4
174.01610	1.2
199.89204	0.5
213.09189	0.5
223.68117	0.6
255.75684	0.5
258.16248	1.2
285.04092	0.8
369.22015	0.6
404.20593	0.6
436.24167	0.6
464.09198	1.1
464.22958	1.6
465.22086	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	465.0592
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01743	1.3
57.03313	4.0
58.00457	1.1
59.00956	1.8
59.01250	32.2
61.74563	0.9
61.98706	2.9
70.36888	1.4
70.37212	1.9
71.01250	21.9
71.04882	1.1
72.99170	1.9
73.02806	4.9
75.00742	2.7
79.00896	1.0
79.95621	1.1
83.01263	4.4
83.76706	0.8
85.02817	15.9
87.00750	12.5
89.02315	6.8
95.01254	1.5
95.04871	1.1
97.02859	1.3
99.00754	1.8
101.02316	10.8
108.04362	0.9
109.02831	4.1
111.00755	4.3
113.02316	4.7
115.00253	23.8
119.03403	2.0
120.99578	1.0
121.02876	2.0
125.02326	6.3
129.01807	5.6
130.75034	0.9
133.02841	18.3
136.07584	0.8
137.02391	1.3
144.87431	1.0
149.02324	4.9
151.00284	1.0
158.36565	0.8
161.02374	4.5
161.04459	1.7
163.00235	4.4
163.02100	1.8
163.03954	2.9
165.01831	2.3
175.02406	61.7
175.03799	3.2
176.02811	1.4
177.01872	3.9
179.05670	0.9
189.01849	1.4
190.99835	1.3
191.03490	1.1
193.01381	3.2
199.03915	1.0
199.13335	1.2
201.01848	2.1
205.03477	4.4
207.02934	1.2
210.12103	1.3
211.03914	0.9
213.05447	1.3
215.04634	1.1
225.05545	2.0
227.03375	2.1
227.10773	0.9
227.12901	2.7
228.13222	3.4
229.04987	0.9
241.04938	1.3
242.02011	1.0
253.05055	2.8
255.03012	1.9
257.04596	1.2
264.35287	0.9
269.04593	2.5
269.11960	1.0
284.03256	4.4
285.04016	15.6
286.04428	1.8
297.04013	35.5
297.07266	1.8
298.04709	9.3
299.05536	22.4
300.05957	2.1
301.03571	2.5
302.20508	4.3
303.13446	1.4
303.21564	3.7
309.04233	1.2
311.05753	1.1
313.03476	1.6
325.03534	24.3
326.03967	2.5
327.05063	35.1
328.05487	3.0
339.05032	1.3
341.03372	1.3
343.04562	100.0
344.04929	11.5
411.07376	3.7
429.08273	22.3
430.08591	3.1
464.25873	22.0
465.26880	50.3
466.27383	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	464.2499
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16551	0.4
59.01258	3.3
61.98700	100.0
69.44595	1.1
69.45003	3.3
71.01237	1.3
74.64641	0.5
78.95774	9.1
96.95890	0.7
96.96863	0.6
98.20558	0.9
99.00761	1.0
113.02332	0.7
121.89884	0.5
135.04416	0.8
152.99483	6.4
171.00548	1.4
174.01610	1.2
199.89204	0.5
213.09189	0.5
223.68117	0.6
255.75684	0.5
258.16248	1.2
285.04092	0.8
369.22015	0.6
404.20593	0.6
436.24167	0.6
464.09198	1.1
464.22958	1.6
465.22086	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	464.2496
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	5.6
61.98701	100.0
70.22881	0.7
71.01255	2.1
71.50115	1.1
78.95775	42.3
85.02831	1.2
85.97658	0.7
96.96857	3.8
97.71757	1.0
99.00782	1.6
101.02359	0.7
113.02357	1.3
120.01186	0.8
125.02343	0.9
138.78622	0.7
152.99493	11.0
153.99902	0.8
156.00633	0.8
171.00554	13.0
174.01646	1.9
209.11983	0.7
227.12819	0.8
228.13261	1.3
317.02710	0.7
362.36057	0.7
405.18845	0.7
447.20029	0.8
464.21497	6.6
465.22205	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	464.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33035	0.5
57.08107	0.5
59.01249	16.7
59.30158	0.5
61.35915	0.5
61.98699	100.0
66.32490	0.5
69.73599	1.3
69.74014	1.7
71.01263	1.2
73.02821	0.8
78.95780	3.2
86.84068	0.6
101.02367	1.0
117.44827	0.6
152.99518	1.6
161.04494	0.9
204.28372	0.6
315.18250	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	464.177
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	32.7
59.97424	1.4
61.98703	100.0
71.01242	4.4
71.16142	3.1
78.95776	25.4
85.02820	2.1
93.53254	1.5
96.96845	3.2
101.02338	2.1
122.05981	2.1
152.99451	12.4
171.00497	5.3
253.13402	11.2
265.04745	1.8
315.18036	2.3
348.17114	7.1
376.20105	6.6
418.93182	1.9
420.19263	23.7
421.19543	2.4
464.17767	9.4
465.22705	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	463.3063
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03310	2.0
59.01250	3.6
64.69691	1.4
67.83430	1.5
69.94842	7.4
89.72984	1.4
105.69604	1.4
125.09612	2.4
127.11188	2.0
151.00188	3.1
152.56705	1.5
160.61336	1.7
165.12787	3.4
171.10172	100.0
172.10432	5.3
178.99777	4.8
214.02640	1.8
221.08133	1.7
222.08844	2.1
243.02824	1.7
247.20622	6.3
253.51091	1.5
270.01443	3.3
271.02484	17.0
273.18524	2.8
287.01892	8.9
288.02420	1.7
291.19647	55.8
292.19897	5.6
309.20667	56.2
310.21021	3.9
315.98535	3.0
316.02209	50.5
317.02853	11.8
337.23770	3.9
345.27899	2.2
383.10687	1.8
389.27023	3.6
445.29477	11.9
463.08676	10.5
463.24475	1.4
463.29724	7.7
464.08823	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	463.291
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00479	0.3
59.01247	15.1
61.98702	2.9
62.96262	0.5
64.49798	0.3
71.01247	1.2
71.50014	0.4
73.02789	0.3
76.57853	0.3
78.95770	100.0
81.03365	0.4
83.04897	0.6
85.02826	0.6
89.02302	0.5
91.03887	2.6
96.95881	1.4
96.96832	6.9
101.02326	0.9
113.02312	0.4
125.02366	0.5
129.09081	0.3
139.11183	0.6
150.97940	1.7
151.00291	0.5
152.99481	73.2
153.99828	1.3
163.11119	0.4
171.00548	9.3
171.10132	2.2
183.13855	0.8
185.11795	0.4
197.11794	0.4
199.13344	0.8
203.77472	0.3
209.11778	4.1
211.13266	2.0
227.12852	3.0
229.14372	1.4
241.14388	0.4
248.79300	0.3
253.09221	1.0
271.02353	1.0
291.19705	1.1
306.44485	0.4
311.22177	2.0
316.02066	1.6
317.02835	0.5
327.21674	0.7
329.23306	12.8
330.23651	1.5
343.04593	0.4
389.17490	0.4
463.08905	1.6
463.20999	51.0
464.21298	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2917
Annotation	Unknow
Peak:m/z	Relative Intensity
56.61599	1.6
58.00480	1.9
59.01250	100.0
60.01578	1.7
61.98695	8.4
71.01249	6.7
71.49836	1.9
71.50224	2.4
74.38696	1.7
75.00741	1.7
78.23502	1.5
78.95774	24.5
83.04906	3.6
85.02801	2.8
85.95458	1.6
87.00717	1.7
89.02339	3.0
91.03889	13.1
94.70052	1.5
96.96844	12.0
99.08035	1.7
101.02328	4.4
110.01697	1.4
113.02325	3.4
127.11164	1.8
139.11174	3.1
146.69701	1.5
151.07436	1.5
152.66588	1.6
152.99454	12.0
165.12755	5.2
171.10172	11.7
183.13840	7.0
199.13338	7.8
206.84656	1.8
209.11784	23.5
210.12062	1.9
211.13338	10.6
227.12830	27.8
228.13162	3.0
229.14410	6.1
253.09377	9.4
293.21152	2.2
311.22330	13.2
329.23328	83.2
330.23630	10.6
343.04593	3.9
398.12735	2.0
420.19089	2.7
435.12143	1.7
463.08633	4.0
463.21207	15.7
463.30701	5.7
464.21881	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.255
Annotation	Unknow
Peak:m/z	Relative Intensity
54.32751	0.4
55.01760	1.5
57.03319	1.9
57.84962	0.5
58.00452	1.3
59.01249	33.1
60.04504	0.4
67.51830	0.4
69.03294	0.5
69.48560	1.2
69.48985	2.5
71.01250	16.7
71.04875	2.5
72.99177	2.0
73.02818	2.8
75.08621	0.4
79.25758	0.5
83.01263	2.2
83.04886	1.4
85.02818	5.4
85.06445	0.5
87.00749	2.0
88.98685	0.6
89.02310	9.4
95.01266	1.8
97.06501	1.0
98.20520	1.1
99.00791	0.6
99.04394	0.7
101.02316	11.1
101.05955	4.3
109.02853	0.7
111.00800	0.9
113.02334	5.3
115.07559	0.7
119.03368	3.3
125.02329	0.8
127.07594	0.6
129.01868	1.0
133.02847	0.7
145.02780	0.5
153.12776	0.6
153.93596	0.5
161.04463	0.7
165.12703	0.7
169.78101	0.5
183.13846	1.9
193.01360	0.6
199.13365	1.5
205.03427	0.7
209.11765	3.4
213.05768	0.6
227.12843	4.9
234.54626	0.6
237.18668	1.1
243.03992	0.5
253.09296	1.8
255.19609	0.9
283.19101	1.9
285.20914	0.6
297.20572	0.6
301.03510	0.6
301.20169	27.0
302.20419	2.4
313.03629	0.6
343.04416	0.9
463.25510	100.0
464.25815	13.6
464.32159	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2549
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01743	1.1
57.03336	1.9
58.00461	1.0
59.01249	16.8
62.32026	0.3
65.00198	0.3
69.03306	0.5
69.35719	2.5
71.01252	10.4
72.99174	1.3
73.02815	3.3
75.00747	0.6
83.01257	3.0
84.02037	0.4
85.02820	7.4
85.06476	0.5
85.78625	0.3
85.99963	0.8
87.00745	1.3
88.21542	0.3
89.02307	3.4
95.01266	0.9
97.02823	0.9
97.06467	0.9
99.00752	0.8
101.02322	9.0
109.02834	0.9
111.00760	1.4
111.07964	0.3
113.02332	3.4
115.07520	1.4
119.03367	1.0
125.02322	1.2
125.09689	0.4
128.03409	0.4
129.01836	1.0
129.09106	0.9
132.71927	0.3
133.02823	1.0
135.04460	0.3
137.02325	1.0
143.03397	0.4
149.02345	0.6
151.00247	0.6
153.01814	0.6
159.02919	0.4
161.04453	0.7
163.00270	0.6
164.00972	0.4
165.01871	1.4
166.02579	0.4
177.01889	0.7
183.13849	2.4
190.99802	0.4
191.03308	0.4
193.01309	0.9
199.13365	0.6
205.01642	0.4
205.03522	0.9
209.11786	1.4
215.03351	0.4
217.05023	0.6
223.02544	0.6
227.12804	2.8
237.18575	1.0
241.14415	0.4
253.09346	0.7
255.02969	0.6
255.19746	0.6
257.04398	0.5
257.17905	0.4
259.06070	2.0
265.18045	0.5
273.04108	0.5
283.02582	0.5
283.19180	2.1
285.04056	0.4
285.20853	0.5
297.04080	0.4
298.04596	0.5
300.02646	1.0
301.03516	7.6
301.20209	8.8
302.03827	0.7
302.20612	0.7
313.03625	1.0
315.05185	0.7
316.02060	0.9
327.05045	0.4
341.02975	0.4
343.04395	1.6
359.04129	1.6
373.05817	0.5
389.05109	0.6
445.07693	0.8
445.24423	2.2
463.08524	4.7
463.25522	100.0
464.09216	1.0
464.25919	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	463.2489
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00195	0.7
69.22984	4.8
72.11275	0.5
85.31880	0.5
90.68013	0.4
109.02788	0.6
119.04913	0.8
121.02792	0.9
123.04365	0.7
136.98697	1.5
145.02844	11.6
146.03139	0.5
147.04442	0.6
149.02344	1.1
150.03110	1.8
157.06522	1.2
169.06419	0.6
177.01871	6.1
177.05423	0.6
178.02606	1.8
183.08023	0.5
189.01828	1.6
191.03410	3.0
191.07109	0.6
203.03477	0.6
211.07538	0.9
213.05403	1.0
214.06322	1.0
225.05606	0.7
225.09163	1.0
227.07133	5.0
228.07840	1.4
232.03539	0.5
235.09744	0.6
239.06979	0.5
240.07880	1.0
241.05043	3.4
242.05811	8.1
243.06200	0.9
245.08350	0.6
255.06602	49.2
256.07260	12.0
267.06635	7.7
268.07129	1.4
269.08170	10.5
270.08594	0.7
281.08340	2.2
283.09824	0.6
288.13641	1.2
311.09262	0.6
321.11282	0.8
322.11679	0.5
323.12448	0.5
337.14386	0.8
377.17645	1.1
379.15668	0.7
380.16000	0.4
393.17166	3.5
394.17606	1.9
419.25549	1.1
463.24875	100.0
464.25189	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	463.249
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44316	1.0
63.37654	1.0
66.71279	1.0
67.93153	1.1
71.00152	2.0
71.00468	1.3
76.36097	1.0
81.38706	1.0
99.95406	1.1
136.18106	1.1
145.02861	10.1
149.02386	1.4
150.03091	4.2
159.60693	1.1
177.01836	8.5
178.02609	4.2
199.88965	1.2
211.07582	1.6
213.05495	1.4
227.07054	7.4
228.07675	2.5
241.05009	2.9
242.05734	2.6
255.06604	66.1
256.07288	20.3
257.07697	1.7
267.06659	5.3
269.08228	9.7
271.02435	2.8
316.02249	6.4
393.17087	2.5
394.17825	2.1
463.09329	5.5
463.24878	100.0
464.25156	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	463.249
Annotation	schweinfurthin G
Peak:m/z	Relative Intensity
53.16702	0.4
55.88166	0.4
59.01245	0.8
65.00182	0.5
71.51250	0.5
71.51654	0.8
73.02107	0.5
78.95759	1.5
79.01743	0.6
80.96413	0.5
91.15652	0.5
109.26363	0.4
119.04955	0.7
121.02833	0.8
129.51176	0.4
135.00764	0.5
136.01596	0.5
136.98671	1.2
145.02843	6.6
149.02316	0.8
150.03114	0.6
151.00224	1.0
157.06506	0.6
164.01065	0.8
177.01871	3.1
177.09055	0.6
177.16141	0.4
189.01859	1.0
190.02557	0.6
201.09270	0.5
213.05463	0.8
214.02637	0.5
214.06262	1.1
217.12263	0.6
225.05464	3.3
226.06004	0.6
227.07088	3.0
228.74931	0.5
231.06647	0.6
239.07161	1.1
240.07874	7.6
241.05006	4.9
241.08125	0.8
242.05815	9.9
243.06380	1.0
245.08180	2.4
246.08795	0.8
253.04999	1.2
255.06595	28.2
256.07028	3.9
259.02353	0.6
259.09802	0.8
260.90668	0.5
267.06589	9.5
268.07397	10.4
269.07800	0.9
271.02451	2.6
279.14020	0.8
281.08200	4.3
282.08527	0.6
287.01907	1.6
293.08127	1.2
301.03531	0.6
307.09595	0.5
309.11478	0.7
316.02203	7.1
316.13055	1.1
317.02911	1.8
323.12839	16.1
324.13376	2.7
330.26169	0.5
337.14465	7.7
338.14661	0.7
351.12225	0.8
351.16107	0.8
366.18402	0.8
379.15408	0.8
393.17145	3.2
394.17813	7.0
395.18457	0.7
419.25803	3.2
463.09070	6.7
463.24872	100.0
464.09119	1.2
464.25122	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	463.2487
Annotation	schweinfurthin G
Peak:m/z	Relative Intensity
50.78441	0.8
59.01233	1.8
63.93821	0.7
71.01213	1.3
71.51136	1.6
121.02856	1.6
136.01532	1.2
145.02840	18.0
147.04439	1.2
151.00220	1.1
157.06493	0.9
161.02377	1.7
171.10143	2.8
177.01828	2.7
189.01839	10.9
191.03458	1.4
207.03035	1.1
212.04671	1.0
213.05444	1.4
223.07600	2.8
225.05544	4.3
226.06169	2.3
227.07051	1.9
227.12921	1.1
229.05055	1.4
235.38785	1.0
239.07065	6.2
240.07863	4.9
241.04941	4.2
242.05756	2.6
253.05074	4.4
254.05788	1.0
255.03894	0.8
255.06577	17.7
256.07138	1.3
267.06607	54.7
268.07129	6.0
269.08151	7.5
270.01471	0.9
271.02481	2.7
291.19675	2.2
309.20673	2.4
311.09155	5.6
316.02310	6.0
317.02908	2.7
321.11404	1.6
337.14560	1.8
377.17380	4.8
379.15405	1.5
393.17001	2.5
394.17810	3.9
463.09106	6.7
463.24875	100.0
464.25204	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	463.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06367	0.2
55.01757	0.3
57.03313	0.5
58.00470	0.2
59.01249	5.2
61.41938	0.2
69.03356	0.2
69.19720	0.3
69.20120	1.8
71.01253	3.8
73.02818	1.4
74.40610	0.2
83.01247	0.4
83.42388	0.2
85.02802	1.1
87.00764	0.5
89.02303	2.5
95.01266	0.3
97.06468	0.2
98.19750	0.4
101.02317	3.3
111.08038	0.6
113.02336	1.9
119.03378	0.6
133.04909	0.3
141.64383	0.2
143.03348	0.2
143.95424	0.2
161.04454	1.3
165.12750	8.3
166.13060	0.6
183.13818	100.0
184.14149	6.6
191.10709	0.2
209.11729	1.5
227.12830	10.7
228.13098	0.7
235.08197	1.3
253.09267	6.2
254.09569	0.3
301.16656	0.4
375.22122	0.2
442.88821	0.2
445.20801	0.7
463.21805	60.8
464.15540	0.4
464.22150	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	0.5
57.03314	0.3
58.00463	0.4
59.01252	7.6
69.03348	0.2
69.22968	1.6
71.01254	6.2
72.99181	0.4
73.02821	1.5
82.82539	0.2
83.01266	0.9
83.04905	0.3
85.02818	1.6
87.00746	1.0
89.02321	4.6
91.03885	0.2
95.01263	0.4
97.02851	0.3
97.06451	0.4
99.00732	0.4
101.02328	6.3
111.08033	0.7
113.02350	2.9
118.95599	0.2
119.03405	1.6
125.02309	0.3
131.03383	0.3
133.04968	0.4
143.03384	0.7
150.87289	0.2
161.04494	1.9
165.12770	8.0
166.13097	0.5
179.05453	0.5
183.13835	100.0
184.14168	6.6
197.98366	0.2
209.11797	1.7
227.12840	9.3
228.13228	1.1
235.08153	1.3
243.91130	0.2
253.09264	8.4
254.09555	0.4
301.16690	0.3
301.20242	0.5
350.03137	0.2
445.21011	0.9
463.21814	59.1
464.22144	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49574	0.3
55.01750	0.5
57.03328	0.6
58.00463	0.6
59.01246	13.1
60.01563	0.6
60.68480	0.4
61.98689	0.9
63.41681	0.4
71.01247	5.5
71.50301	0.4
71.50733	0.6
72.99190	0.6
73.02808	1.5
75.00745	0.6
80.02534	1.1
81.03300	0.6
83.01257	0.9
83.04893	5.1
84.02054	1.0
85.02813	2.6
87.00730	1.0
88.02631	0.4
88.03970	0.4
89.02312	8.0
95.01225	0.5
95.04821	0.6
101.02324	5.3
113.02338	2.5
119.03319	1.0
125.02306	0.6
125.05957	0.4
129.01793	0.4
135.08070	0.6
143.03365	0.6
148.80896	0.4
149.02382	0.5
154.00233	0.4
161.04521	2.2
163.00327	0.4
163.11205	2.9
165.12764	2.6
179.05475	0.6
191.10695	1.1
209.11761	100.0
210.12126	7.3
227.12833	15.1
228.13213	1.4
235.08160	0.6
253.09251	12.6
254.09450	0.7
271.02441	0.6
300.02765	1.1
301.03427	1.1
343.04547	1.1
343.98355	0.4
373.05801	0.6
419.19516	1.3
463.08859	2.1
463.25909	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	463.2101
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10002	0.3
55.97197	0.3
59.01248	3.0
61.98701	25.1
62.96257	0.5
69.86093	1.2
71.01240	0.9
78.95773	100.0
85.02860	0.4
87.00788	0.3
89.02321	0.8
96.96837	7.0
98.20515	0.6
99.36796	0.3
101.02303	0.6
109.88435	0.3
113.02332	0.3
135.57242	0.3
142.99791	0.6
150.97935	0.8
152.99486	60.6
153.99875	0.8
171.00554	23.9
172.00768	0.6
172.99916	1.5
174.01596	2.0
178.71138	0.3
183.13831	0.6
199.13348	1.3
209.11790	2.0
227.12845	5.2
228.13293	0.3
238.24339	0.3
241.14401	0.4
246.36110	0.3
253.09250	1.0
290.71463	0.3
309.20923	0.5
315.19550	0.4
343.04306	0.6
352.97156	0.3
371.16306	2.3
372.16660	0.4
389.17548	0.4
463.21027	46.3
464.21332	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	463.21
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	0.6
61.98701	0.4
62.96274	0.4
65.75476	0.1
71.05214	0.2
71.05535	0.2
78.95771	100.0
87.97979	0.2
95.04903	0.2
96.96836	6.6
98.04926	0.2
122.05970	0.3
134.06003	0.2
150.97931	0.2
152.99478	7.4
153.99843	0.2
171.00545	45.1
172.00876	0.9
181.40121	0.2
209.11832	0.2
224.09259	0.2
227.12762	0.2
251.11882	0.3
253.13443	1.4
300.82797	0.2
330.12457	0.2
332.14069	0.3
344.14249	0.2
346.15765	0.5
348.17157	1.5
359.17468	0.2
360.17255	0.7
371.16245	0.5
375.19485	0.4
376.20303	1.0
389.17422	0.3
420.19229	4.4
434.42758	0.2
441.81522	0.2
445.27063	0.2
463.20999	30.0
464.22052	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	463.2104
Annotation	Unknow
Peak:m/z	Relative Intensity
55.37168	0.3
59.01246	0.8
69.60757	1.9
70.34389	0.3
71.01267	0.5
78.95773	79.2
88.98683	0.5
89.02283	0.5
96.96841	6.7
96.97439	0.6
98.20562	0.6
121.02829	0.4
129.28865	0.2
135.00893	0.3
145.68300	0.3
150.97948	1.5
152.99483	100.0
153.99825	1.7
154.30786	0.3
161.02335	0.4
171.00539	3.4
176.83798	0.3
201.79495	0.3
207.10106	0.3
209.11725	0.6
211.13353	0.3
227.12953	0.3
231.09959	0.7
235.44824	0.3
241.14586	0.3
242.31013	0.3
270.01965	0.3
271.02536	0.5
309.20895	0.3
316.02274	1.1
317.02945	0.4
332.35571	0.3
349.14542	0.7
351.16382	1.4
351.20294	0.3
360.64230	0.3
435.14731	0.3
463.08929	1.0
463.20972	19.6
464.21332	2.8
464.30212	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1934
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02823	0.2
55.76009	0.2
55.78193	0.2
57.53406	0.2
59.01246	1.3
61.98700	100.0
70.65484	0.3
70.65815	0.4
70.96306	0.2
71.01247	0.2
78.95769	0.7
89.02277	0.3
124.70193	0.2
152.99460	1.0
211.13400	0.4
241.14500	0.2
247.52130	0.2
343.62753	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2101
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03329	0.2
59.01242	0.7
61.98685	0.5
62.63895	0.2
62.96259	0.2
69.03339	0.2
71.01249	0.3
71.42423	0.3
75.93233	0.2
78.95770	57.5
80.29041	0.2
80.99575	0.2
89.76908	0.2
96.95875	0.3
96.96837	5.8
125.09552	0.3
148.02983	0.2
148.74803	0.2
150.97961	1.6
151.00372	0.2
152.99478	100.0
153.99857	1.3
158.52324	0.2
171.00542	4.5
181.12224	0.2
209.11690	0.3
211.13310	1.2
226.81908	0.2
241.14417	0.4
271.02328	0.6
287.01846	0.5
300.03018	0.2
304.19302	0.3
316.02106	1.7
317.02805	0.5
331.03113	0.2
343.04486	0.5
463.09216	1.4
463.20917	11.6
464.20984	1.2
464.47607	0.2
481.00690	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.172
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61790	0.6
53.72987	0.6
58.00463	11.8
59.01246	14.1
61.98695	2.6
62.60236	0.6
69.80634	3.6
70.47234	0.6
71.01248	5.1
72.99165	1.5
73.02808	3.9
75.00742	5.8
83.01255	1.1
85.02818	2.1
87.00738	1.1
89.02328	2.2
93.03331	0.9
95.01275	0.9
101.02307	1.1
107.04862	0.9
109.02837	2.7
111.00759	0.9
113.02329	1.9
117.98980	0.7
118.06454	0.9
120.08025	1.0
121.02833	1.7
122.05987	2.3
123.04379	1.7
124.01559	1.4
124.07559	3.0
125.02326	2.4
131.24654	0.6
132.04436	4.0
132.08096	0.7
133.02829	4.8
133.05180	1.1
135.04420	1.3
137.02277	1.9
137.04703	1.2
138.05571	0.7
139.00267	1.3
139.03864	1.6
146.06003	14.7
147.06506	0.6
148.01538	0.8
148.07579	8.0
149.02403	4.2
149.04588	0.7
150.03093	0.9
150.05533	2.0
151.00255	2.3
151.03903	3.1
153.01836	1.9
154.01357	16.6
154.06392	0.8
155.01730	6.8
157.07605	0.7
160.07668	0.7
161.04527	1.8
162.05501	1.0
163.00226	1.2
163.01477	0.7
165.01868	2.1
165.04196	2.3
165.05467	0.8
167.03459	1.6
167.05769	5.8
168.06581	2.0
174.05493	5.2
175.03888	0.8
175.06299	1.8
176.07051	2.6
177.01855	1.7
178.99789	1.0
179.03375	2.5
179.05791	3.3
180.04250	0.9
188.07068	1.3
189.01849	0.9
189.04333	0.9
189.07845	0.8
191.03473	1.4
191.05739	1.1
193.01318	1.4
195.02811	0.9
195.05272	1.1
196.07689	1.1
204.06587	12.4
205.07359	3.0
206.08105	0.8
207.02840	0.9
207.05305	2.4
209.11783	4.8
212.10869	0.9
213.05525	1.5
215.03452	0.9
216.06744	1.2
217.07315	0.9
219.05307	1.2
221.04617	1.2
221.06750	1.2
223.02385	2.3
224.07103	2.4
227.08199	2.2
228.13861	1.6
237.06380	7.1
241.05074	1.4
241.07445	1.3
241.09598	3.3
241.14484	1.0
243.11356	1.2
249.06337	2.5
255.11353	2.2
257.04327	1.1
257.12848	1.0
269.04401	1.6
269.12976	1.8
270.13690	0.8
271.14499	11.4
278.68179	0.8
283.10931	1.9
285.04044	1.5
288.11356	0.7
292.91937	0.8
297.03928	1.5
297.12442	2.9
299.02078	1.1
299.13818	3.3
300.02740	3.3
301.03442	1.7
311.13788	1.1
313.03464	3.9
313.12155	1.5
313.15549	0.9
314.04190	3.7
315.04767	3.6
326.21860	0.8
329.15021	20.6
330.15369	2.4
337.11682	1.2
341.03183	0.7
343.04468	29.2
343.12955	6.9
344.04849	3.0
355.04413	1.1
355.12866	2.8
373.05750	8.9
373.14017	100.0
374.14301	12.7
385.14078	8.7
386.14352	1.5
403.15109	10.8
403.19888	1.7
404.15402	1.1
409.13995	3.3
410.14490	0.9
427.15015	5.3
445.07016	0.9
445.16159	2.5
463.08926	34.8
463.17197	36.7
464.08905	3.8
464.17340	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	463.1115
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	1.0
61.56561	0.5
61.98677	0.7
62.96270	0.6
70.65495	1.2
70.65823	0.7
72.64417	0.5
78.95760	7.5
94.93497	0.7
149.00002	32.9
194.98796	100.0
195.99112	3.2
227.20171	1.8
244.03882	0.6
300.02808	0.7
316.02182	0.9
463.11163	53.7
464.11600	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.088
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01214	2.8
65.00189	1.6
69.38267	9.6
72.27570	1.2
82.68071	1.4
97.02815	1.3
109.02800	3.3
121.02830	3.6
125.02310	2.9
130.88538	1.1
133.02823	4.9
135.04379	2.7
137.02315	4.1
149.02357	7.3
150.03061	2.2
151.00232	3.4
151.03928	1.5
153.01787	2.7
161.02298	1.8
163.00262	2.6
165.01814	7.7
166.64854	1.3
167.03384	1.6
177.01799	3.9
179.03412	2.9
179.07326	1.1
187.03830	1.4
189.01830	1.4
191.03429	3.0
193.01323	4.5
193.05005	6.6
202.02679	1.5
205.01418	1.8
206.02246	1.6
207.02895	8.7
215.03413	1.8
225.05608	1.4
227.12767	1.3
229.05087	1.4
231.02814	1.8
241.05048	2.2
243.02945	1.3
256.03546	1.5
257.04480	2.8
269.04495	4.8
271.06039	1.4
285.03741	2.8
297.04022	3.9
298.04559	1.5
299.02084	1.3
299.05554	6.3
300.02740	27.2
300.06097	2.3
301.03439	12.0
313.03506	8.2
314.04080	6.0
315.05042	6.6
316.05704	1.6
325.03629	3.8
326.03430	1.3
327.04977	3.4
341.09705	1.2
343.04523	78.8
344.04855	6.7
355.04541	3.2
357.06287	1.9
373.05569	30.9
374.05908	3.3
385.05734	1.2
404.61105	1.2
445.07800	7.6
463.08762	100.0
464.09097	13.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.088
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	4.7
59.01240	16.2
65.00191	6.8
65.08792	2.7
68.99698	5.0
70.25784	10.6
70.93749	2.9
71.01238	9.5
71.04875	3.5
79.01700	3.0
80.35983	3.0
81.03297	7.9
83.01250	7.7
85.02831	18.9
85.03740	2.8
89.02284	5.8
93.03320	8.3
95.01231	6.4
95.04825	2.8
97.02809	10.8
99.00762	4.3
101.02310	5.0
107.01250	6.2
108.02098	2.9
109.02832	36.4
111.00740	13.2
113.02283	4.8
121.02812	10.1
123.00716	4.6
123.04372	5.7
124.98698	4.9
125.02337	28.6
129.01805	7.2
133.02826	21.2
135.00761	4.0
135.04393	6.9
137.02341	26.2
139.00229	4.1
139.03822	5.5
147.04424	5.9
148.01352	3.0
149.02342	17.8
151.00247	16.1
151.03883	7.2
152.01067	4.6
153.01802	13.6
161.02228	9.6
163.00259	20.7
163.03902	6.6
164.01021	7.9
165.01819	32.3
166.02536	9.0
167.03404	18.0
174.20497	3.1
175.03920	6.1
176.01167	4.8
177.01874	33.0
178.99744	9.2
179.03381	8.1
181.01317	9.5
187.03902	7.0
189.01820	7.9
190.99817	16.2
191.03354	9.3
193.01320	29.8
194.02032	4.7
195.02916	8.2
197.04451	4.0
199.03903	5.2
201.05429	4.2
202.99751	8.6
203.03473	5.6
205.01402	24.8
205.03307	5.5
206.01994	3.7
207.02888	10.5
209.11763	64.1
217.04968	5.2
219.02925	6.6
221.00859	12.6
223.02405	42.0
224.03026	3.4
227.03377	7.5
227.12825	6.9
229.05000	6.0
231.02815	9.9
235.02391	11.4
241.04997	7.6
243.02863	7.0
245.04459	8.4
249.00340	15.5
251.01900	5.4
253.03406	5.1
253.09279	9.4
255.02771	4.3
257.04495	8.1
260.40765	3.2
269.04501	10.9
271.02451	5.2
273.04028	4.4
284.03198	3.9
285.03922	15.0
287.05444	14.3
288.05566	3.6
297.03973	13.5
298.04642	9.6
299.05493	12.0
311.01895	6.7
313.03534	33.3
314.03735	3.6
315.05008	22.8
316.02216	21.1
317.02948	6.6
317.06628	8.5
325.03214	3.5
327.04349	20.7
327.07864	4.9
328.05240	3.7
330.03568	4.2
331.04523	7.3
341.02975	19.6
343.04486	4.8
345.06183	7.9
359.04059	77.8
360.04324	10.2
371.03979	9.3
389.05087	32.7
391.10532	3.3
401.17331	3.1
419.09894	6.3
430.09091	10.1
431.09244	4.3
445.07568	18.3
446.07761	3.7
463.08762	100.0
464.09253	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	463.0884
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05930	0.8
57.03313	1.1
59.01254	14.1
61.98706	2.2
65.00193	4.0
71.01230	4.4
71.36992	1.2
78.84052	0.9
79.01765	1.0
81.03334	2.7
83.01251	3.3
85.02830	2.5
89.02324	4.3
93.03338	4.2
95.01275	2.9
95.04886	2.1
97.02827	4.2
101.02316	3.7
105.03335	2.2
107.01295	5.0
109.02798	4.4
109.29469	0.9
111.00739	4.6
111.04391	0.9
113.02326	3.2
121.02834	9.7
123.00764	2.5
123.04402	2.2
125.02351	13.6
133.02834	4.7
135.00774	1.4
135.04379	1.7
137.02361	12.7
137.82327	0.9
139.03902	2.5
142.07953	1.1
147.00783	1.0
148.01581	1.2
149.02348	59.7
150.02768	3.3
150.05463	1.0
151.00293	11.5
151.03902	4.4
153.01839	2.0
155.03438	2.4
161.02321	2.8
161.04433	2.3
163.00273	10.4
163.03905	2.1
164.00848	0.9
164.33549	0.9
165.01868	16.7
166.02206	1.0
167.03416	4.4
176.01054	1.5
177.01851	8.9
179.03485	4.9
187.03963	1.6
189.99063	1.0
190.99728	3.0
191.03358	4.9
193.01331	15.6
195.02919	1.6
199.03992	1.0
201.05554	1.2
203.03363	1.9
205.01350	3.4
209.11827	2.2
213.05467	1.2
215.03453	4.9
217.01335	3.1
217.04684	1.0
223.02426	6.0
223.04353	1.0
225.05602	1.1
227.03366	1.4
228.04115	1.1
229.04829	1.6
231.02850	1.4
233.04390	1.0
235.02417	1.3
239.03435	1.2
241.05157	1.1
241.14616	2.0
251.03447	1.6
253.04945	1.4
255.02928	1.2
257.04626	1.9
259.02539	1.0
269.04419	1.4
272.03061	1.3
281.04547	0.9
285.04117	2.3
297.03995	2.3
299.05499	2.3
300.02777	1.9
301.03525	11.6
313.03552	12.6
314.04211	8.7
315.05069	2.5
325.03613	2.6
327.05106	3.8
341.02963	1.3
343.04572	97.4
344.04922	9.9
355.04547	6.3
357.06018	1.6
373.05624	92.0
373.13983	6.2
374.05972	10.9
385.05618	3.5
403.06989	1.8
403.19925	2.2
408.90240	1.0
409.05725	1.3
415.06866	1.5
427.06744	2.0
445.07770	19.8
446.07977	2.5
463.08798	100.0
464.09097	13.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.0882
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	1.4
57.03310	1.5
57.42007	0.8
59.01249	14.5
63.02259	1.2
65.00198	4.2
67.01736	1.2
68.99667	2.1
69.03320	3.3
70.79478	2.1
70.79817	1.0
71.01250	4.9
73.02823	2.2
74.05479	0.9
75.00742	1.5
77.03850	1.1
79.01752	2.2
81.03320	5.0
83.01260	6.2
83.04897	1.3
85.02796	2.5
87.00763	1.0
89.02303	4.2
93.03329	15.7
95.01273	6.2
95.04891	1.5
97.02835	8.1
99.00761	2.1
101.02325	3.0
105.03334	2.4
107.01271	4.6
107.04933	1.9
108.02016	2.3
109.02854	7.6
111.00792	6.0
111.04423	1.3
113.02335	4.1
117.03338	12.3
119.01289	1.3
119.03383	1.1
119.04919	2.2
121.02850	9.4
123.00767	6.1
123.04401	4.3
124.01510	1.3
124.98571	1.1
125.02338	23.4
126.02661	1.3
131.04912	1.1
133.02878	5.9
134.03613	3.5
135.00734	2.1
135.04404	4.3
136.01546	1.5
137.02338	17.1
138.03012	1.1
139.00272	4.6
139.03908	2.8
140.01047	2.0
141.01799	6.1
143.04976	1.6
145.02795	2.7
147.00812	1.3
147.04395	2.8
149.02356	17.0
150.03102	2.9
151.00281	8.9
151.03928	5.7
152.01067	1.5
153.01851	19.7
155.03387	2.0
157.06590	0.9
159.04420	4.5
161.02383	6.3
163.00302	9.1
163.03908	5.3
164.01054	3.6
164.98134	1.4
165.01848	16.9
166.02563	2.9
167.03435	7.4
167.04652	1.4
169.01425	1.2
169.06499	1.9
171.04442	2.8
173.02385	2.1
173.06013	1.7
175.00279	1.4
175.03905	2.8
176.01067	2.9
177.01871	9.0
178.02602	2.7
178.99782	7.7
179.03441	7.4
179.75435	0.9
180.00397	1.1
181.01337	9.7
181.04933	1.1
181.06474	1.8
182.02124	1.3
182.03656	1.2
183.02977	1.5
183.04404	2.1
185.02325	2.6
185.05965	3.4
187.03975	5.3
189.01804	3.5
189.05518	1.8
190.02608	1.4
190.99768	3.1
191.03455	6.4
192.00569	1.9
192.99562	1.4
193.01350	24.8
193.04994	3.2
194.01860	1.6
195.02948	6.6
195.04422	1.2
197.04376	1.8
197.06047	2.7
198.06660	1.5
199.03883	2.8
199.07567	1.7
199.13287	2.4
201.05473	2.4
203.03450	4.4
205.01323	8.4
206.02032	2.6
207.02969	4.5
207.04642	1.0
209.00938	1.0
209.04459	1.8
209.11742	2.6
211.04036	2.0
213.01973	5.5
213.05498	2.9
214.02539	2.4
215.03442	9.2
215.07001	1.7
216.03979	1.2
217.01445	1.9
217.04987	3.0
219.03044	2.1
219.71425	1.0
221.00920	8.8
222.01512	2.0
223.02412	26.8
224.02870	1.5
225.05463	4.4
225.07527	1.0
227.03508	2.8
227.07043	2.0
227.12906	6.0
228.04150	1.5
229.05043	3.8
231.02875	5.1
231.06561	1.3
233.04523	4.1
235.02501	5.6
237.00336	1.5
237.05557	1.3
238.95375	1.0
239.07120	1.5
241.05060	4.2
243.02974	4.3
243.06593	2.6
245.04517	4.4
251.01923	2.0
253.05048	4.9
253.09268	1.4
255.02966	4.1
255.06651	2.7
256.03540	2.3
257.04568	5.0
259.02405	2.6
259.05997	1.1
267.02786	1.9
268.03668	2.3
269.04550	15.9
270.04987	1.6
271.02579	8.2
271.05685	5.5
272.03177	1.9
273.03998	4.1
273.06485	2.3
281.04556	8.3
282.05267	2.7
283.02686	1.8
283.06070	6.7
284.03232	1.6
285.03946	6.8
286.04730	3.2
287.01978	2.2
287.05502	3.1
293.04758	1.3
295.02405	1.8
297.04047	23.0
298.04642	3.9
299.05579	17.5
300.02777	11.4
300.05911	1.2
301.03232	10.2
303.05029	2.7
309.04037	1.9
311.05646	11.6
313.03482	11.7
314.04254	10.3
315.01718	1.8
315.05066	14.3
316.02249	11.2
316.05447	1.7
317.02869	3.1
325.03220	6.9
327.04953	5.2
329.06244	1.3
331.04721	1.3
341.06595	1.8
343.04416	79.1
344.04718	9.2
345.06030	3.6
355.04565	4.6
357.05856	1.6
367.04202	1.2
373.05634	35.2
374.06079	3.3
385.05817	1.4
403.06573	1.2
417.08054	1.8
419.09955	5.9
427.06845	1.4
430.08957	4.5
431.09589	1.3
435.09290	2.7
445.07724	13.2
446.08066	1.8
463.08817	100.0
463.21756	3.5
464.09146	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	463.0884
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64408	0.4
59.01254	4.1
59.93501	0.4
61.98703	0.4
63.02262	0.8
65.00188	1.3
69.45354	2.6
71.01245	1.2
73.02828	0.6
83.01256	1.3
83.04874	0.9
85.02823	0.7
87.00758	0.4
89.02280	0.9
93.03326	0.6
98.19809	0.8
101.02316	1.3
107.01255	3.2
108.02049	1.6
109.02827	2.1
113.02320	0.8
119.01259	0.5
119.28223	0.4
121.02830	2.2
123.00707	0.5
125.02360	0.6
126.65368	0.4
135.00771	0.7
148.01564	1.7
149.02371	0.6
151.00275	11.5
152.00653	0.4
153.01813	0.6
161.02306	0.7
163.00261	3.0
164.01054	0.7
165.01845	0.7
169.01308	0.9
178.99799	5.1
180.07388	0.4
183.04494	0.7
187.03975	0.6
191.03424	0.5
192.00644	0.6
193.01372	0.7
198.03093	0.6
199.03957	1.0
209.11768	8.8
210.12096	0.6
211.03961	1.7
215.03372	0.8
226.02731	1.9
227.03479	3.6
227.12845	2.6
228.01288	0.5
228.03856	0.6
241.14363	0.4
243.02954	12.0
244.03571	0.9
245.04533	1.4
245.23233	0.4
253.09213	1.1
254.02322	2.5
255.02962	26.2
256.03354	2.0
257.04587	0.5
269.04495	0.4
271.02472	58.4
272.02902	7.0
273.04056	1.5
283.02432	1.5
297.04102	0.5
299.02014	1.4
299.05215	0.6
300.02734	100.0
301.03458	59.2
302.03793	4.3
313.03397	0.4
343.04669	1.7
373.05652	0.9
445.08002	1.2
463.08810	80.1
464.09125	11.2
473.22684	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.088
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03328	1.2
58.00468	9.7
59.01247	27.9
60.43258	0.7
61.98697	2.2
65.00183	1.9
67.00141	0.7
68.77792	0.7
69.65876	1.6
69.66275	4.2
71.01255	10.5
72.99189	7.1
73.02811	10.6
74.02361	2.2
75.00745	14.5
77.88147	0.8
79.01758	1.6
81.03325	1.3
83.01273	2.5
83.04871	1.4
85.02814	3.6
87.00766	2.0
89.02315	6.2
93.03314	1.5
95.01260	1.4
97.02814	2.3
99.00748	1.0
99.04416	1.0
101.02321	5.7
105.03358	1.0
107.01229	2.2
109.02834	4.1
110.02317	1.1
111.00768	2.1
113.02326	4.6
119.03365	2.3
121.02849	4.3
122.06027	2.1
123.00775	0.8
123.04411	1.5
124.01595	1.2
124.07574	1.5
124.96942	0.7
125.02353	5.1
127.07540	0.9
127.17623	0.8
132.04454	3.0
133.02835	9.0
135.04419	4.1
137.02342	5.5
139.00192	0.8
139.03886	1.2
143.03427	1.0
146.06024	10.6
148.07573	5.1
149.02338	16.2
150.03011	1.3
151.00259	3.5
151.03874	3.4
153.01833	2.3
154.01390	1.5
154.06453	2.3
155.01630	0.9
160.07610	1.2
161.02295	1.0
161.04420	4.1
163.00273	2.5
163.03900	2.2
164.01027	0.9
165.01842	6.9
165.04228	1.2
165.09135	2.0
166.02263	0.7
167.03378	1.7
167.05722	3.9
167.62878	0.9
168.08090	0.9
171.15160	1.0
173.02290	1.0
173.22276	0.8
174.05498	3.1
175.06233	1.6
176.01083	0.8
176.07069	1.1
177.01799	3.3
178.99786	2.1
179.03433	4.1
179.05606	3.1
181.01408	1.0
186.05525	1.3
187.03954	2.5
189.01846	1.8
191.03365	2.6
191.05850	1.0
193.01340	5.9
196.07613	1.0
197.06052	1.3
199.03984	1.6
201.01872	1.3
203.03389	1.8
204.06595	8.8
205.01337	2.6
205.07317	1.8
205.12219	1.3
206.02130	1.0
207.02847	2.7
207.05148	1.2
209.11783	9.9
211.03983	1.0
211.07642	0.9
213.05406	2.2
214.02612	1.1
215.03426	2.0
216.06618	0.8
217.07310	1.3
219.03052	1.2
221.04427	0.8
223.13422	2.2
224.07144	7.4
225.05435	1.8
226.07472	0.9
226.12323	0.9
227.03377	1.6
227.12805	2.7
228.04079	0.8
228.13857	1.0
237.06354	3.5
240.04224	1.0
241.04977	2.3
241.07350	1.4
241.09741	1.6
241.14349	3.6
243.11258	1.0
245.04648	0.8
249.06404	1.5
253.05156	2.0
253.09460	1.6
255.03004	1.1
255.11285	1.6
256.03717	1.5
257.04449	1.0
269.04526	3.0
271.02551	1.6
271.05997	1.4
271.14493	7.8
283.11002	2.8
283.15448	1.1
285.04044	2.4
297.04016	2.8
297.12543	1.6
299.01871	2.2
299.05463	2.0
299.13998	1.6
300.02750	7.0
301.03430	5.9
302.03818	1.7
313.03531	7.9
313.15594	1.1
314.04227	7.9
315.05042	8.5
327.05127	2.0
329.06488	1.3
329.15076	13.6
330.15381	1.3
337.11905	0.9
343.04541	85.4
343.13049	5.7
344.04843	9.2
355.04510	4.0
355.12906	3.0
373.05850	30.1
373.13986	87.7
374.05978	2.6
374.14349	7.6
385.05542	3.4
385.13925	7.7
403.15024	8.0
403.19720	2.8
409.05539	1.1
409.13934	1.9
427.15186	2.5
445.07327	2.3
445.16168	1.6
463.08746	100.0
463.17062	30.8
463.22311	2.4
464.09045	12.4
464.17480	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	462.1618
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31490	0.9
59.01250	23.8
61.98702	100.0
71.01259	2.9
71.51354	0.9
78.95778	1.2
85.02827	1.4
101.02335	1.7
122.39093	0.9
146.79204	0.9
152.99463	1.0
313.16531	3.1
316.02377	1.0
325.42334	1.0
355.17477	1.1
463.08545	1.2
470.41705	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.2624
Annotation	Unknow
Peak:m/z	Relative Intensity
54.13669	0.6
59.01239	1.3
61.98687	0.9
71.01227	0.8
71.49879	1.1
78.95770	100.0
96.95885	1.4
96.96832	9.4
145.02879	0.7
148.99986	6.1
152.12723	0.5
152.99492	16.6
165.79810	0.6
171.00545	17.0
194.98787	19.4
196.03743	1.0
219.48003	0.7
226.56674	0.7
248.28027	0.6
253.48317	0.6
265.21652	7.5
271.02402	1.0
316.02316	2.9
329.90845	0.6
340.58511	0.7
388.22629	1.7
389.23596	0.7
462.26224	51.1
463.11237	12.7
463.26974	6.8
483.74615	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.3634
Annotation	MART-10
Peak:m/z	Relative Intensity
56.70275	0.2
68.30062	0.2
70.83535	0.7
94.67680	0.2
115.93310	0.3
135.08038	4.1
149.05983	0.8
150.06776	2.7
151.91740	0.2
163.07542	100.0
164.07883	5.7
176.08273	0.8
446.34055	2.8
447.34314	0.5
461.36328	61.4
462.36697	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	462.1171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11514	2.5
59.01254	21.9
61.98686	2.9
62.35873	2.7
65.00176	3.1
69.03304	3.3
69.37768	17.8
69.38175	6.3
71.01258	13.4
71.25282	2.9
73.02817	3.3
87.00732	6.8
89.02325	13.4
97.02802	3.8
99.78437	2.8
101.02306	4.5
102.47176	2.8
109.02831	7.0
109.06512	5.7
113.02335	5.8
121.02833	7.5
125.02349	7.2
127.55898	2.9
133.02850	7.6
134.03630	3.0
135.04355	3.7
137.02336	8.2
149.02351	18.6
149.04387	3.3
150.03065	5.5
151.00243	5.4
151.03923	5.8
153.01834	4.7
155.07056	7.5
161.02284	3.8
163.00339	3.6
165.01840	11.5
165.05463	5.6
167.03419	4.5
177.01776	5.5
178.02609	3.2
179.03273	4.4
189.01808	3.6
193.01315	7.8
193.04987	4.0
203.03423	2.9
205.01328	5.4
205.07097	3.6
207.02956	12.1
215.03392	6.2
235.02444	4.1
255.03026	3.6
257.04404	4.2
269.04465	9.2
271.02451	6.7
285.04022	8.5
286.04330	3.9
293.08783	9.4
296.03207	4.2
297.03894	7.6
299.02194	5.6
299.05521	5.8
300.02747	31.6
301.03510	12.1
313.03607	18.2
314.04187	10.7
315.05057	7.6
325.03384	5.9
327.05069	7.7
342.03613	14.2
343.04553	82.2
344.04871	4.0
355.04611	3.9
372.04861	5.6
373.05600	38.2
403.19592	6.2
426.13873	4.1
445.07913	7.9
462.07562	15.6
462.12277	12.2
463.08774	100.0
463.18140	25.8
488.04666	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	461.2907
Annotation	Verbacine
Peak:m/z	Relative Intensity
57.03319	1.2
57.73394	0.5
59.01228	1.0
61.34780	0.5
70.80221	1.0
72.98558	0.6
78.95779	2.1
80.76253	0.5
99.07985	0.8
107.04827	0.7
109.02825	0.9
123.04403	1.8
125.05963	5.1
125.09532	0.6
137.09631	1.1
138.03156	0.7
151.03911	7.3
152.99461	2.3
156.07100	0.6
159.64116	0.6
163.07573	1.8
164.57166	0.6
165.32918	0.7
166.02592	1.6
177.01843	1.6
177.09213	0.5
179.03410	1.3
179.10603	0.9
180.04143	1.3
191.10547	1.1
207.06519	1.4
207.10176	1.8
217.08701	3.6
221.08138	5.4
222.08981	3.5
222.57683	0.6
223.09706	2.2
235.09714	95.5
236.10205	9.4
247.09702	0.8
249.11276	3.3
249.18553	1.0
279.23434	1.1
293.24860	1.1
315.16003	1.0
333.17111	10.5
335.18579	1.3
375.22006	0.9
392.21826	3.2
461.29068	100.0
462.29419	16.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2906
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	0.8
69.56112	0.4
69.56437	3.1
79.27769	0.4
80.83050	0.5
84.44299	0.4
90.64748	0.4
107.04882	0.6
123.04408	1.6
125.05970	4.7
137.09715	0.5
141.67406	0.4
144.88757	0.4
151.03912	8.8
163.07500	0.6
166.02641	1.1
177.01852	1.0
179.03416	1.3
180.04221	2.0
191.10741	0.8
207.10202	1.9
217.06686	0.6
217.08646	4.0
221.08102	4.6
222.08904	1.8
223.09737	1.7
223.16937	0.6
235.09702	100.0
236.10175	10.7
249.11267	1.7
249.18481	0.6
253.63524	0.5
289.18399	0.4
301.21768	0.6
315.16098	0.5
333.17062	7.0
334.17599	0.9
335.14978	0.6
335.18619	0.7
391.21198	0.6
392.21909	3.3
461.29053	96.8
462.29422	16.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.291
Annotation	Unknow
Peak:m/z	Relative Intensity
54.64952	0.9
59.01247	3.4
62.75636	0.7
64.37528	0.8
70.02977	3.7
78.95788	3.3
80.96365	1.8
82.82934	0.8
86.67606	0.7
93.82030	0.8
109.80685	0.9
123.04375	1.1
125.05989	3.9
135.08049	1.2
151.03954	2.4
163.07558	26.6
164.07851	1.1
165.05479	2.1
167.27501	0.7
179.03398	1.3
181.02637	1.6
203.10626	0.8
205.12328	3.1
221.08173	3.7
222.08900	1.7
223.09698	19.4
224.10054	1.7
231.10217	1.5
235.07860	0.6
235.09717	28.4
236.10385	4.2
249.11301	28.8
250.11646	2.6
255.23268	5.5
265.10852	1.0
272.50980	0.9
275.20087	4.1
279.23279	32.7
280.23685	2.7
309.20703	1.7
321.17117	3.7
322.17740	8.9
323.18237	1.0
349.16568	1.5
349.20667	0.9
392.22021	2.7
393.27695	1.0
453.17209	0.9
461.29156	100.0
461.36301	12.8
462.29489	17.5
462.36359	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	461.2907
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33005	0.4
57.03323	1.0
67.07652	0.4
71.00375	1.1
80.68979	0.5
107.04891	0.6
109.76624	0.5
123.04436	0.9
125.05999	4.2
150.38950	0.4
151.03911	10.5
152.04405	0.6
163.11157	0.5
166.02682	0.9
177.01903	2.3
178.15736	0.5
179.03357	2.7
179.77718	0.4
180.04176	3.5
191.10732	0.6
195.18605	0.5
207.10236	0.8
217.08591	1.8
221.08168	2.3
222.08844	1.6
223.09651	3.7
235.09706	100.0
236.10220	9.9
237.10727	0.6
249.11304	4.4
279.23218	1.4
301.21155	0.5
315.15881	0.8
333.17053	6.8
334.17328	1.0
335.18619	1.1
347.08859	0.5
375.21851	0.8
377.19394	0.7
391.21390	0.6
392.21887	3.1
393.22223	0.6
431.54596	0.5
461.29053	84.2
462.22845	0.7
462.29388	15.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2909
Annotation	Unknow
Peak:m/z	Relative Intensity
55.16755	0.5
57.03312	2.3
69.55513	0.8
69.55917	3.4
71.04880	0.5
75.82309	0.6
99.08009	0.8
118.70726	0.6
123.04391	1.1
125.05981	4.5
125.09586	0.9
137.09579	1.0
151.03902	3.6
165.05438	1.0
166.02563	0.8
177.01872	0.7
179.03436	0.7
180.04179	1.9
191.03539	0.7
205.12202	1.0
207.10132	1.1
217.08582	2.1
221.08104	4.5
222.08946	4.3
223.09666	3.1
223.17078	0.6
235.09717	62.3
236.10298	8.7
249.11287	14.9
249.18512	2.0
250.11494	1.2
275.65469	0.6
277.14380	1.6
301.21652	1.2
305.17847	0.7
315.15884	2.7
322.17844	1.6
333.17014	13.4
334.17520	2.2
335.14972	0.6
335.18576	10.9
336.19034	1.0
349.20175	1.3
392.22159	5.6
393.22372	0.8
417.30078	1.1
461.29068	100.0
462.29395	16.0
462.35501	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2755
Annotation	Unknow
Peak:m/z	Relative Intensity
55.95869	1.5
59.01248	100.0
61.98691	2.9
69.66329	9.2
69.66632	1.3
71.01258	5.2
73.02806	2.8
78.95768	3.7
85.02799	2.9
92.04343	1.4
95.42409	1.6
97.02808	2.9
101.02256	1.7
106.06495	2.1
109.06476	6.8
113.02322	2.9
121.02812	1.6
127.07580	1.7
129.09122	9.7
136.07567	2.1
141.09094	5.9
155.10701	8.8
163.11148	4.3
171.10172	2.3
185.11755	20.9
193.12212	1.4
197.11755	17.1
207.10214	18.7
208.10513	1.9
209.11732	4.6
224.65768	1.9
225.11276	13.8
251.86891	2.0
253.09238	2.2
291.19614	14.0
299.13812	2.3
309.20737	32.3
310.20932	4.1
327.17807	2.9
327.21722	57.0
328.22144	7.1
383.24326	5.2
461.20248	9.0
461.31528	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	461.2756
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02023	2.9
50.66660	2.3
57.49275	2.2
59.01247	100.0
61.98702	5.0
63.33397	2.4
65.01020	2.7
68.34244	3.1
71.01255	2.9
71.50277	4.1
78.95785	6.6
85.02814	3.6
91.03832	3.8
94.64922	2.7
96.95879	4.6
97.02828	4.6
99.08045	3.0
105.66272	2.5
109.06457	7.0
119.04929	3.3
121.02824	9.7
127.07604	2.9
128.03401	4.8
129.09102	10.4
140.08386	2.9
141.09094	3.5
152.99513	4.7
153.26859	2.7
155.10649	6.8
157.05496	2.5
163.03853	2.8
163.11209	3.8
171.10071	2.9
181.12086	3.5
185.11751	27.1
197.11729	20.1
197.26953	2.7
207.10207	28.8
209.11745	7.4
215.28294	2.8
224.38562	2.7
225.11266	15.3
248.10254	10.6
253.09285	5.6
280.53915	3.2
291.19644	16.8
309.20694	41.4
310.20871	4.2
327.21777	74.5
328.22083	7.7
398.75412	2.9
417.08087	4.4
431.23868	5.7
461.20236	9.8
461.25275	12.3
462.25421	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14877	0.5
57.03338	0.7
59.01249	100.0
60.01583	1.6
61.98703	11.5
71.01260	2.2
71.46064	0.9
72.99192	0.6
73.02831	1.3
73.51155	0.5
75.00719	0.6
83.01280	0.8
85.02834	3.0
87.00749	0.7
89.02309	1.3
93.03337	0.7
95.04958	0.5
101.02316	1.2
111.00754	1.1
113.02335	1.3
116.77039	0.5
120.99509	0.8
121.02829	1.1
129.01891	1.1
133.02895	0.9
137.02368	1.5
139.00352	0.6
151.03915	3.4
152.91516	0.6
178.20769	0.5
200.00011	0.6
205.24654	0.6
207.10327	0.8
225.11217	2.9
269.04745	0.8
296.03348	0.6
296.32797	0.5
297.04092	2.2
298.04816	12.7
299.05380	1.8
299.18964	0.9
312.06241	0.7
313.03580	0.8
313.07120	1.2
341.06570	12.0
342.07080	1.5
371.07785	3.1
401.08276	0.7
445.84900	0.6
461.11169	8.3
461.17587	0.7
461.19949	1.0
462.10715	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.239
Annotation	Ligurobustoside A
Peak:m/z	Relative Intensity
53.13679	0.3
55.01760	5.8
57.03326	5.4
58.00467	2.7
59.01248	49.5
60.01572	0.8
61.01634	0.3
68.99701	0.5
69.03322	3.8
69.79178	1.6
69.87328	0.3
71.01250	100.0
72.01593	1.3
72.20987	0.3
72.99181	3.9
73.02816	34.9
74.03162	0.4
75.00742	1.7
75.83017	0.3
81.03337	1.5
83.01254	21.3
83.04897	0.5
84.01595	0.4
84.02039	0.6
85.02821	45.6
85.99969	0.9
86.03169	0.9
87.00748	5.4
87.04408	0.7
89.02315	18.9
90.02655	0.4
95.01260	6.5
96.98000	0.3
97.02824	5.4
99.00753	15.3
99.04404	0.6
100.01058	0.3
101.02319	73.3
102.02650	1.2
103.03881	7.7
109.02838	0.3
111.00748	0.6
113.02326	35.6
114.02686	1.0
115.03906	1.5
119.03391	7.3
125.02333	8.8
127.03876	1.4
129.00978	0.3
129.01825	1.4
131.03387	2.3
141.01845	0.4
143.03395	7.8
144.03699	0.4
145.04926	2.8
149.04504	0.3
159.02899	8.9
160.03264	0.3
161.04459	67.3
162.04807	2.2
163.06020	7.4
176.60385	0.3
178.04854	0.4
179.05569	0.9
205.03481	2.8
205.07101	4.3
219.13840	0.9
229.07146	1.4
237.14883	0.5
247.08183	3.3
297.16864	0.3
307.10434	0.7
315.18091	48.0
316.18436	4.9
316.21790	0.4
359.17355	0.6
451.87469	0.3
461.23907	30.7
462.24380	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	461.203
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29753	0.5
57.03313	1.0
59.01248	13.6
70.70599	1.6
71.01247	6.3
73.02814	0.8
78.95763	1.7
80.02563	1.2
80.30386	0.6
81.03326	2.7
83.01242	0.9
83.04887	2.4
84.02049	1.0
85.02829	1.9
87.00744	0.6
89.02309	5.4
95.01249	0.6
95.04893	0.7
97.02818	8.0
99.00739	1.1
101.02310	5.7
107.04916	0.8
109.06465	31.1
110.03599	1.9
110.06822	1.5
111.00739	0.8
111.04397	0.6
113.02325	2.3
115.00238	0.7
119.03358	2.2
121.06476	1.7
123.04430	0.9
125.09605	0.8
133.06447	0.7
135.08032	3.3
136.05171	1.1
142.02597	2.9
143.03355	0.7
145.10075	0.6
152.99513	1.7
161.04440	2.9
161.09622	2.0
163.09825	1.1
163.11182	18.1
164.11507	0.8
179.05566	1.0
179.10652	0.9
181.12265	6.1
189.09122	1.7
199.13341	0.6
204.19411	0.5
207.10188	100.0
208.10519	6.7
209.11772	0.8
225.11256	62.2
226.11591	4.1
235.08038	0.8
243.12273	1.5
248.10274	0.7
253.09244	21.3
253.11931	1.0
254.09604	1.1
299.14938	2.1
349.14505	1.0
443.19470	0.6
461.20239	56.1
462.20740	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	461.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00964	1.1
59.01247	18.4
71.01237	6.4
71.50301	1.1
73.02791	1.4
74.49747	0.9
80.02534	1.1
81.03336	2.4
83.01260	1.3
83.04881	4.2
85.02816	2.2
89.02323	3.4
96.95872	1.6
97.02824	8.3
99.00729	1.7
101.02321	6.0
109.06469	32.1
110.06801	1.0
113.02318	3.4
119.03391	2.3
121.06516	0.9
135.08029	4.8
136.05186	1.4
142.02618	3.3
144.65822	0.9
152.99469	2.1
156.12953	0.9
161.04382	2.0
161.09645	1.2
163.11194	18.7
179.05469	0.8
181.12262	5.3
189.09050	1.3
207.10188	100.0
208.10568	6.8
225.11259	65.2
226.11627	3.6
235.08223	1.3
243.12291	1.6
253.09248	21.8
299.14969	2.3
349.14615	1.2
429.80676	0.8
461.20255	54.0
462.20706	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	461.1663
Annotation	Forsythoside E
Peak:m/z	Relative Intensity
58.00449	1.0
59.01249	22.5
61.41865	0.9
69.03331	1.4
71.01250	16.7
71.04929	0.8
71.49442	1.4
71.49823	1.0
72.99186	2.3
73.02816	14.0
75.00734	1.7
77.72095	0.8
83.01214	1.1
85.02823	6.3
85.99961	1.9
87.00753	8.2
87.04384	3.4
89.02312	9.1
97.02812	1.0
101.02319	13.6
102.02664	1.1
103.03877	3.4
113.02322	2.6
115.03885	4.4
119.03362	2.8
123.03120	1.0
123.04394	2.4
131.03423	6.0
131.04253	1.1
134.03676	0.8
135.04422	25.4
136.04756	1.5
138.05521	5.4
143.03391	8.7
145.04907	2.2
153.01912	1.5
153.05505	2.1
163.06033	4.8
205.07104	8.0
222.50166	1.0
315.10831	3.8
337.28702	0.9
461.16635	100.0
462.16953	15.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1091
Annotation	Swertiajaponin
Peak:m/z	Relative Intensity
51.08466	0.9
59.01171	16.7
59.01500	2.0
59.98739	0.6
60.78851	0.6
61.98644	1.6
71.01173	5.1
71.50855	0.9
72.99133	0.9
73.02755	1.9
75.00700	1.3
79.01691	0.7
83.01189	1.0
83.89497	0.7
85.02823	4.3
87.00660	1.9
89.02219	2.3
95.01208	1.0
98.20128	0.7
99.00698	1.1
101.02226	2.9
108.30488	0.7
109.02758	0.9
111.00658	2.1
113.02229	1.9
121.02747	1.5
125.02213	0.7
129.01750	1.5
133.02837	4.5
134.03545	2.7
135.00745	1.1
137.02269	0.7
147.04326	1.9
147.42195	0.8
149.02330	1.0
161.02290	2.0
161.04312	1.2
163.00343	3.8
163.11107	1.2
165.01768	1.3
174.03075	0.9
179.05600	0.9
199.03886	1.0
201.01836	1.9
202.02295	0.8
205.01378	0.7
206.08630	0.7
207.10136	1.9
214.02527	0.8
215.03456	0.7
225.05426	1.6
225.11295	4.7
227.03300	1.5
239.12903	1.0
241.04976	2.2
242.02127	1.4
243.02968	1.6
253.05063	2.3
255.02863	3.0
267.03052	0.7
269.04523	4.1
270.01682	1.2
270.05234	2.9
271.02551	3.7
281.04425	0.8
281.30774	0.8
284.03262	3.1
285.04065	4.1
285.06784	0.8
293.04532	0.7
296.03171	0.7
297.04044	21.1
297.07285	1.4
298.04803	100.0
299.01917	3.7
299.05246	12.0
299.14972	1.0
300.02692	1.1
301.03735	1.4
309.04050	7.7
310.04797	3.0
311.05643	2.2
312.06488	1.0
313.03824	1.3
313.07114	8.1
323.05588	1.5
325.03516	1.6
325.07123	2.1
326.04330	2.2
327.04922	1.6
330.03867	3.3
330.65503	0.8
337.03680	0.9
338.04269	1.0
341.06638	92.7
342.06989	10.7
344.05493	1.2
353.06570	5.9
356.05389	2.1
371.07681	24.7
372.08078	2.9
383.07800	2.7
443.09860	1.6
461.11041	63.4
461.20514	2.2
462.11774	8.8
462.20923	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1092
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	1.7
59.01253	26.4
61.98707	1.4
65.00193	1.9
71.01257	13.1
71.04876	1.3
71.50683	1.5
72.99179	3.1
73.02827	4.3
75.00742	1.4
83.01258	3.7
83.43407	1.2
85.02832	7.4
87.00751	5.5
87.85554	1.3
89.02301	5.6
90.98485	1.2
95.01261	1.2
97.02838	2.1
99.00784	2.5
99.61533	1.1
101.02317	7.6
107.01286	2.0
109.02846	3.7
111.00760	3.1
113.02339	2.7
115.00256	5.7
117.03306	1.5
121.02875	3.3
125.02321	2.6
128.03391	1.5
129.01794	2.6
132.02071	1.3
133.02841	36.1
134.03571	3.8
135.00778	1.8
135.04408	1.6
137.02333	2.4
145.02855	1.3
147.04417	1.5
149.02370	3.2
151.00279	3.9
153.01888	1.4
161.02361	8.5
163.00279	12.8
163.03983	3.3
163.11195	2.2
165.01846	4.6
175.02414	13.0
175.03925	8.3
177.01875	4.1
179.03455	1.4
181.12360	1.7
189.01967	1.6
189.98976	1.1
191.03413	1.6
193.01317	1.8
195.02957	1.5
195.39919	1.2
197.05975	1.3
199.03983	3.6
201.01894	4.4
203.03400	1.7
207.10158	2.1
211.03973	2.5
213.05585	2.5
215.03683	1.7
225.05492	5.2
225.11237	4.5
227.03458	4.3
229.05003	1.9
239.03427	1.7
241.05023	4.7
251.03503	1.5
253.04974	5.6
255.02959	4.7
267.06674	1.5
269.04654	6.2
270.05240	1.9
279.03113	1.6
281.04541	1.8
281.17526	1.4
284.03265	13.4
285.04041	39.4
286.04410	3.8
293.04553	1.4
295.05832	1.3
297.04037	89.7
298.04788	66.2
299.05536	31.2
299.18756	7.1
300.06088	2.6
309.04102	2.9
311.05630	22.3
312.05698	1.3
324.02725	16.2
325.03513	44.7
326.04202	13.1
327.05087	100.0
328.05542	10.4
330.03784	2.6
337.03482	6.5
339.05038	26.7
340.05487	1.6
343.04776	2.2
351.05170	1.9
355.04602	3.3
357.06155	88.5
358.06583	9.3
365.06454	1.4
367.04306	1.7
383.07513	1.7
385.05573	3.1
393.06134	4.6
411.07196	37.8
412.07730	5.5
429.08215	52.9
430.08743	6.6
461.10968	56.6
461.23941	31.7
462.11154	6.9
462.24380	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	459.2962
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43518	0.6
52.58867	0.6
59.01248	100.0
60.01585	1.0
61.45829	0.8
61.98709	1.9
142.45900	0.6
150.73814	0.6
203.85121	0.8
325.23679	4.8
444.51382	0.7
459.27573	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.3114
Annotation	Stoloniferone G
Peak:m/z	Relative Intensity
59.01238	1.5
69.03333	9.3
69.19803	0.7
71.06419	1.1
71.06729	0.7
78.95786	1.4
81.03314	1.0
84.06006	0.7
105.24493	0.7
107.04882	5.2
109.06472	82.1
110.06791	2.9
118.96307	0.7
152.99480	1.7
166.09198	0.7
170.02307	0.8
180.73901	0.9
246.33575	0.7
303.26883	3.1
327.26944	1.3
341.28516	2.5
343.30026	37.9
344.30316	5.0
369.31564	1.8
371.28717	1.6
371.33154	16.3
372.33597	2.7
379.30023	1.5
396.46814	0.9
397.31024	12.6
398.31442	2.7
415.32147	55.8
416.32581	8.9
435.90308	1.0
459.31143	100.0
460.31528	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	459.2959
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	6.3
69.37478	15.2
69.37891	5.2
85.95618	2.4
89.02289	5.9
107.04908	2.7
117.16473	2.6
163.07587	3.3
163.11147	2.5
179.05527	9.9
250.54698	2.7
279.23267	100.0
280.23645	12.9
282.89334	2.7
459.18179	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2963
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	100.0
60.01578	0.8
61.98707	3.5
62.78229	0.7
71.50463	1.0
87.52800	0.6
95.23409	0.8
97.45004	0.7
106.85940	1.0
121.02847	1.3
132.90070	0.7
144.98497	0.6
325.23727	5.4
465.52258	0.9
482.82358	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2751
Annotation	Stypohydroperoxide
Peak:m/z	Relative Intensity
53.41597	2.5
57.03321	5.2
57.27674	3.5
59.01243	15.0
61.98697	15.8
62.75539	2.8
64.83269	2.9
65.67824	3.1
66.89764	3.1
71.04875	7.9
71.50069	3.5
71.52937	2.9
83.04890	8.0
99.08038	9.2
111.75303	3.2
116.54693	3.1
121.02818	3.8
125.02322	10.2
125.06000	9.2
137.09627	9.9
151.11198	6.1
159.28481	3.2
177.09116	3.9
179.10660	3.3
193.08617	13.7
197.11786	3.2
209.08116	100.0
210.08481	8.7
222.90895	3.4
233.08220	5.4
235.17020	10.3
261.14969	33.8
263.16364	3.9
279.15985	97.9
280.16217	4.6
289.21594	3.9
295.22693	4.0
309.01572	3.7
377.22745	5.8
441.26291	7.8
459.27472	99.5
459.34683	7.0
459.36005	6.1
460.27628	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	459.2902
Annotation	Menatetrenone Epoxide
Peak:m/z	Relative Intensity
51.57753	1.1
60.70491	1.0
66.05617	1.0
69.01041	1.0
82.87103	1.4
88.92032	1.1
90.26570	1.0
98.20605	2.2
107.04905	29.2
159.49864	1.1
163.07542	2.9
163.11189	100.0
164.11555	6.9
224.25224	1.1
234.67496	1.4
283.16980	24.0
284.17441	2.2
295.16992	16.7
296.17227	1.5
459.29025	83.0
459.34302	2.9
460.29346	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	459.26
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03309	0.5
59.01248	100.0
60.01586	1.5
61.98702	0.5
67.77335	0.4
71.01247	6.6
71.50599	0.6
71.50974	0.3
72.99183	0.6
73.02816	2.0
80.19510	0.3
83.01266	1.1
85.02820	2.9
87.00779	0.5
87.04372	0.6
89.02322	2.7
95.01267	0.7
97.02819	0.4
99.00762	0.8
101.02323	4.1
101.05973	0.8
111.00739	0.3
113.02322	3.2
116.92800	0.4
119.03413	0.9
139.28888	0.4
140.31705	0.4
141.01817	0.5
143.03444	0.5
152.75313	0.3
161.04474	1.5
193.27252	0.3
255.19727	0.4
381.22717	0.6
399.23752	3.0
417.24887	2.6
418.25375	0.4
434.96695	0.4
459.22586	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2614
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01765	0.4
57.03317	0.7
58.00472	0.7
59.01251	100.0
60.01589	1.5
61.98692	1.4
63.96148	0.2
68.99683	0.3
69.03334	0.5
69.16524	0.3
69.16917	1.9
69.30840	0.2
71.01255	14.8
72.99171	1.2
73.02821	6.2
73.62038	0.2
75.00732	0.3
83.01259	2.2
83.04893	0.2
84.32985	0.2
85.02827	4.2
87.00771	0.8
87.04392	0.4
89.02320	8.3
90.87852	0.2
95.01261	1.2
95.10201	0.2
98.19791	0.4
99.00771	0.7
101.02325	8.4
102.02667	0.2
109.19739	0.2
111.00768	0.2
112.98661	0.2
113.02330	10.3
114.02693	0.5
115.00300	0.3
119.03396	3.0
125.02390	0.8
131.03441	0.6
133.02888	0.5
135.98270	0.7
143.03439	1.0
149.04517	0.3
150.74171	0.2
161.02428	0.2
161.04457	2.9
161.09787	0.2
168.04280	0.2
174.01643	1.0
175.02464	0.3
179.05573	1.3
191.10707	0.2
193.22356	0.2
219.40570	0.2
223.13490	0.4
237.15021	0.8
253.05135	0.4
254.05423	0.5
255.05553	0.5
255.07884	0.5
263.32474	0.2
265.05121	0.5
266.05511	0.6
267.05823	0.9
279.06219	0.5
280.07022	0.4
281.07385	0.6
282.05182	0.2
283.04938	0.4
285.03745	0.2
293.04602	0.5
294.04724	0.3
295.05182	0.4
298.04608	0.3
307.05930	0.5
308.06573	0.9
309.06754	1.7
310.71790	0.2
311.05621	0.7
313.06931	0.3
350.13962	0.2
355.04471	1.1
363.07971	0.3
371.10416	0.3
385.05591	0.3
399.10028	0.5
399.23877	3.4
400.24521	0.5
417.13126	0.7
417.25049	3.7
459.12506	4.3
459.23163	1.0
459.30197	0.3
460.23160	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2598
Annotation	Unknow
Peak:m/z	Relative Intensity
55.97288	0.6
59.01249	100.0
60.01583	1.6
61.98696	2.6
71.36937	1.1
73.02811	0.8
88.98690	1.8
89.02348	0.9
116.92738	1.1
121.02823	0.9
167.03497	0.8
188.11673	0.7
249.18594	1.0
291.19528	0.8
293.17810	1.9
294.13800	0.6
325.20190	7.9
355.01236	0.7
369.18195	0.8
459.09534	0.9
459.21802	0.8
459.28748	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	459.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	0.3
57.03322	0.9
58.00455	0.3
58.18095	0.2
59.01250	10.4
59.64177	0.2
60.01585	0.2
61.98707	1.2
69.03329	2.3
70.93705	0.5
71.01253	5.6
71.04883	0.8
72.99178	0.5
73.02822	1.2
79.95586	0.2
81.03361	0.2
83.01284	0.9
83.04906	0.5
85.02825	2.4
85.06474	0.5
87.00753	0.7
89.02314	5.2
93.03367	0.3
95.01277	0.5
95.04908	0.6
96.95856	0.2
98.05023	0.2
98.19997	0.2
99.00756	0.5
100.21105	0.2
101.02325	6.9
102.02669	0.3
109.06484	0.4
113.02332	3.2
114.02544	0.2
116.99401	0.2
119.03396	1.3
125.02279	0.3
125.09619	0.6
129.01770	0.3
131.03436	0.4
133.04915	0.2
135.98268	0.2
141.09088	0.3
143.03371	0.5
149.09644	0.7
153.09157	0.3
161.04460	2.2
161.13287	0.3
167.10692	3.4
175.11551	0.2
177.12764	0.5
179.05548	0.8
179.10744	1.2
179.14322	3.5
187.11111	0.2
195.13840	10.0
196.14186	0.7
198.79228	0.2
205.03531	0.2
205.12279	9.2
206.12640	0.4
223.13351	100.0
224.13680	6.8
224.15912	0.3
235.08157	0.8
253.09267	20.7
254.09616	0.8
280.66837	0.2
361.10623	0.4
452.77344	0.2
459.22183	3.4
459.28391	0.6
460.22552	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1872
Annotation	Unknow
Peak:m/z	Relative Intensity
58.59350	0.6
59.01250	100.0
60.01585	1.0
61.98708	0.7
69.14842	4.0
69.15273	2.9
71.01244	5.4
73.02834	1.8
75.00750	1.1
79.01768	0.7
83.01254	1.4
85.02807	3.5
85.17389	0.6
87.00748	1.4
89.02315	2.1
93.29967	0.6
101.02334	3.3
107.04988	0.8
109.02871	1.3
111.00797	1.0
113.02341	1.3
115.57307	0.7
115.74824	0.8
117.03341	1.5
117.07236	0.7
119.03409	0.9
120.22791	0.6
120.99555	1.0
121.02859	0.9
125.02356	0.8
128.44572	0.7
133.02858	6.2
135.04454	1.5
143.04544	1.0
149.02368	1.8
152.03459	2.7
161.02380	1.7
161.04436	1.0
163.00357	0.8
163.03876	1.0
164.79179	0.7
165.01929	0.8
168.44852	0.7
175.03976	1.3
177.01881	1.6
177.09145	0.7
189.01939	0.7
193.01405	0.8
205.01392	0.9
207.03018	1.1
211.38885	0.7
213.05530	1.1
235.13441	0.8
237.07738	1.0
241.05153	0.7
268.03888	0.7
269.04480	0.9
270.05124	0.7
281.04572	1.1
282.05417	1.9
283.06210	2.5
295.06332	0.8
297.04129	2.9
298.04791	3.4
299.05676	1.7
311.05609	3.6
312.06436	3.0
313.07202	3.9
321.03998	0.7
323.05780	0.8
325.03644	2.8
327.05035	3.7
339.04898	6.7
339.14355	1.1
340.05634	1.4
341.06778	2.5
351.05392	0.9
352.27725	0.8
353.06863	0.9
355.04523	0.9
355.13596	0.9
357.15424	1.0
365.71854	0.7
369.06137	16.6
370.06564	2.1
381.06384	1.0
385.05826	0.9
389.65546	0.7
399.07230	8.2
399.16827	2.0
400.07590	1.4
441.08560	1.2
447.35599	0.8
459.09253	19.8
459.18826	1.4
460.09695	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	459.1875
Annotation	4'-Deoxykanokoside A
Peak:m/z	Relative Intensity
55.01756	2.4
57.03315	2.6
58.00469	1.7
59.01252	22.3
69.03317	1.3
71.01253	25.8
71.50373	1.0
72.99182	3.2
73.02820	13.9
75.00748	1.2
81.27435	0.7
82.20435	0.8
83.01255	11.9
85.02820	15.7
85.99979	1.6
87.00747	3.2
89.02317	5.9
95.01265	1.7
95.04913	1.0
97.02837	1.7
99.00768	3.8
101.02324	26.9
102.02666	0.9
103.03880	1.6
106.04118	1.1
111.00743	2.2
113.02345	6.7
119.03371	1.9
125.02319	1.7
133.02838	1.4
143.03395	1.0
151.07550	60.5
152.07883	2.9
159.02817	1.3
161.04471	2.6
165.03835	0.8
177.01799	1.2
209.02687	2.5
247.08299	1.1
283.05984	1.7
297.04108	0.9
298.04865	1.4
311.05615	1.2
313.12939	45.2
314.13229	3.6
339.05017	3.7
341.06589	1.4
369.06134	9.0
370.06635	1.3
386.58218	0.8
399.06992	2.7
459.09583	10.6
459.18723	100.0
460.09756	1.7
460.19095	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	459.1871
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30001	0.2
59.01250	100.0
60.01590	1.5
69.34912	2.0
71.01250	3.3
72.99174	0.5
73.02830	1.0
83.01280	0.4
83.04900	0.2
85.02811	1.5
87.00772	0.4
89.02312	1.8
96.95903	0.6
97.02850	0.3
99.00771	0.3
101.02312	1.9
109.02864	0.3
113.02346	1.4
119.03429	0.6
120.99570	0.6
133.02885	1.0
133.06500	0.3
135.04425	0.3
143.03430	0.3
143.04503	0.4
151.04036	0.3
152.03481	0.8
161.04489	0.8
174.01718	0.2
175.03958	0.3
177.09169	0.7
179.05518	0.5
189.02003	0.2
207.02950	0.3
224.87343	0.2
237.05927	0.2
242.78232	0.3
283.06125	0.6
295.06311	0.4
297.04205	0.5
298.04861	0.5
305.32098	0.3
311.05637	0.8
312.06439	0.7
313.07153	0.4
325.03632	0.3
327.05267	0.9
339.04825	1.4
339.14374	1.1
341.06805	0.4
351.05447	0.3
357.15424	1.4
369.06149	3.1
370.06433	0.4
381.06589	0.4
399.07233	1.3
399.16537	2.8
400.17001	0.6
441.09009	0.3
459.09045	3.3
459.18112	1.7
460.09729	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.0932
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	2.0
61.98711	0.9
70.84720	0.9
75.00753	2.1
75.53125	0.3
88.11069	0.3
89.66669	0.3
93.88888	0.3
104.27170	0.3
121.02841	100.0
122.03185	3.9
141.53801	0.4
180.05780	0.9
181.06517	6.1
197.76807	0.4
209.04378	0.8
209.21274	0.4
225.05513	8.6
226.05698	0.5
257.23264	0.3
269.08362	0.5
313.07162	19.8
314.07495	2.1
357.06119	5.4
358.06207	0.7
379.04492	0.5
401.08755	64.7
402.09088	8.0
459.04758	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2803
Annotation	Unknow
Peak:m/z	Relative Intensity
56.39303	3.2
59.01255	16.1
69.19774	20.9
69.20203	14.7
71.01257	13.7
77.00104	3.7
89.02322	16.2
98.19846	8.3
101.02338	7.6
113.02324	4.1
119.03402	3.7
130.17392	4.3
179.05527	12.2
196.32959	3.6
202.32587	3.4
277.21695	100.0
278.22095	12.9
335.85284	3.7
457.36060	8.3
464.38794	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	457.332
Annotation	Fruticoside B
Peak:m/z	Relative Intensity
50.25496	1.2
56.68196	1.4
62.37709	1.2
71.52719	1.6
73.35336	1.2
93.03333	1.5
107.04902	27.3
108.05239	1.5
109.06471	100.0
110.06776	4.7
303.26910	31.1
304.27292	4.2
341.28348	1.7
355.30005	8.5
357.31699	3.3
395.33246	5.2
411.32724	7.5
413.34262	9.3
457.33197	94.2
458.33487	21.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	0.5
57.03322	0.7
58.00466	0.5
59.01248	100.0
60.01586	1.2
61.92091	0.3
69.03328	0.2
69.29018	1.7
69.29443	0.9
71.01251	11.8
72.99178	0.6
73.02819	5.0
73.03205	0.4
76.22259	0.3
81.03310	0.3
83.01246	2.6
83.44579	0.3
85.02828	4.2
85.99993	0.3
87.00746	0.7
87.04379	1.7
89.02318	5.5
95.01255	1.3
97.02871	0.9
98.20560	0.4
99.00787	1.2
101.02321	9.2
101.05961	2.2
111.00797	0.4
113.02328	5.6
119.03385	2.0
119.79799	0.2
125.01564	0.3
125.02350	1.6
125.03233	0.3
131.03447	0.4
135.98257	0.3
143.03429	0.9
144.03683	0.3
161.04469	3.1
179.05411	0.4
219.13795	0.3
253.18082	0.7
277.05310	0.5
293.04810	0.8
295.19250	1.4
379.21152	0.6
385.61667	0.3
397.09509	0.4
397.22324	4.4
398.22760	0.5
406.63297	0.3
415.23398	5.2
416.23901	1.2
457.24356	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2261
Annotation	Unknow
Peak:m/z	Relative Intensity
59.95653	0.4
70.84230	1.3
78.26476	0.4
99.92442	4.9
100.93240	1.9
104.71657	0.4
108.95863	0.4
109.89139	0.4
109.95369	0.4
115.91958	100.0
116.91967	5.3
116.92744	5.9
132.92256	0.9
172.95349	3.2
205.73595	0.4
383.18784	0.5
409.20624	0.9
457.22696	3.4
458.22882	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53548	0.4
55.01757	0.8
57.03312	0.6
59.01247	100.0
60.01586	0.9
71.01250	18.8
71.06087	1.2
73.02821	4.5
73.55164	0.4
83.01254	1.5
85.02830	6.6
87.00771	0.6
89.02325	1.9
95.01250	1.0
99.00751	2.1
101.02319	8.7
101.02937	0.8
101.66723	0.4
103.03911	0.7
108.02076	2.0
113.02332	8.5
123.04412	5.7
131.41995	0.5
143.03392	1.2
146.03647	0.7
153.76591	0.5
155.04567	0.4
159.02946	1.6
161.04449	8.9
163.06113	1.6
164.04691	2.8
179.07042	10.5
180.07329	0.6
203.05592	1.5
205.07092	0.6
253.10818	2.3
445.36691	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1716
Annotation	Unknow
Peak:m/z	Relative Intensity
54.40495	1.3
57.03325	2.6
58.00471	5.1
59.01247	96.6
68.01557	1.4
69.03314	2.7
69.56928	9.3
71.01252	42.0
72.99165	8.4
73.02819	35.1
81.03372	1.4
81.82648	1.5
83.01266	1.7
83.04909	1.5
85.02815	15.3
85.99960	2.4
87.00752	12.6
87.04376	4.4
89.02316	30.5
101.02324	69.5
103.03879	30.7
111.88867	1.3
113.02330	4.0
115.03880	5.1
118.29837	1.6
119.03390	16.9
119.04916	14.4
125.02328	4.7
131.03403	9.2
143.03406	11.0
145.04962	7.9
156.88148	1.4
163.03996	15.5
163.06024	100.0
164.06358	3.8
205.07108	25.1
224.19191	1.3
248.20251	1.4
265.09232	3.7
325.09314	1.6
378.23456	1.6
449.11777	1.5
457.17276	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	457.1351
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01764	4.0
57.03320	6.4
59.01252	11.6
69.67921	9.6
71.01254	7.7
83.01271	4.4
85.02794	9.9
89.02319	6.7
93.03362	4.9
99.00730	2.8
101.02314	9.7
111.00718	2.8
113.02334	18.9
117.03336	11.4
119.03403	2.4
119.04889	21.6
121.89181	1.9
124.18582	2.0
131.03413	2.7
133.06488	100.0
134.06805	5.4
145.02843	39.8
145.06532	3.1
149.06058	2.1
157.06511	2.3
159.04436	7.6
161.04677	2.8
161.05934	9.6
163.03879	4.8
171.04440	5.6
171.08047	2.6
172.05209	2.6
173.06000	11.5
177.05513	4.5
185.06020	4.7
187.03915	5.1
187.07576	6.5
189.05531	2.7
189.09192	7.2
191.07036	6.8
197.06049	2.6
198.99464	1.9
199.07591	6.0
201.05653	3.0
203.07124	14.5
205.04993	16.3
214.06200	6.4
215.07063	37.5
216.07523	1.9
219.06622	2.2
233.08153	51.1
234.08514	4.0
247.06200	10.9
251.09221	5.4
256.31519	2.1
259.06140	18.0
265.07053	3.6
277.07181	13.3
377.12332	2.5
389.56757	1.9
395.13333	21.4
396.13690	2.3
397.32968	2.3
439.12418	17.3
440.13022	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.114
Annotation	Puerarin 6''-acetate
Peak:m/z	Relative Intensity
53.78974	0.5
56.72248	0.5
59.01248	28.3
64.17776	0.5
70.30893	0.5
70.83540	0.8
70.83859	0.8
71.01250	2.0
73.02822	1.4
83.01241	0.5
83.14875	0.5
83.79926	0.5
85.02824	1.1
89.02322	0.7
92.06434	0.4
101.02361	0.8
105.03395	0.7
113.02347	1.0
131.01280	3.4
135.98267	1.0
141.16492	0.5
145.02844	0.8
147.00769	0.5
161.02367	0.6
163.00256	0.9
175.00278	10.5
176.00601	0.6
209.05956	0.7
211.03993	0.5
211.13135	0.6
221.06007	0.9
235.07661	0.8
237.05772	0.6
246.32504	0.4
251.66069	0.5
253.05011	6.0
263.07153	2.4
265.05078	8.0
266.05383	1.2
267.06671	3.6
277.05048	100.0
278.05402	10.7
279.03592	1.1
279.06635	8.3
280.06989	1.0
281.04483	4.4
287.07172	0.7
291.06570	1.2
292.03629	0.8
293.04541	3.8
293.07755	0.8
294.05069	0.6
295.06091	5.7
305.04636	0.7
305.08115	1.0
307.06088	14.2
307.09372	0.9
308.06363	1.1
309.07745	2.2
319.06073	2.2
321.07706	0.9
325.07120	1.4
332.06631	0.6
333.07596	1.4
337.07239	2.1
361.07117	2.0
369.09872	0.6
379.08170	1.8
397.09271	7.5
398.09683	1.7
415.10242	0.7
457.11362	20.9
458.11572	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.114
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18305	0.2
57.03294	0.3
58.68198	0.3
59.01249	61.0
59.49297	0.3
60.01595	0.4
60.87158	0.3
63.96114	0.7
66.64984	0.2
69.53196	0.3
70.03586	0.3
70.52640	0.8
71.01255	2.9
72.82490	0.3
72.99168	0.6
73.02810	1.0
80.96399	0.3
83.01244	0.4
85.02831	1.4
87.00758	0.6
89.02332	1.7
95.01254	0.4
97.50321	0.3
99.00703	0.4
101.02324	2.3
103.01777	0.4
111.00739	0.3
113.02342	1.1
117.03344	4.8
117.97227	0.3
119.03370	0.4
131.01271	3.9
132.01607	0.4
135.18346	0.3
135.98262	2.2
143.04523	0.3
145.02835	0.3
161.02229	0.4
161.04478	0.6
163.03894	0.7
173.02319	2.6
175.00284	13.3
176.00600	0.9
193.01413	0.7
207.71498	0.3
209.05927	0.3
212.34238	0.3
221.06174	0.6
223.04478	0.6
237.05576	0.6
237.95151	0.3
265.05087	0.5
269.04449	0.5
277.05035	2.6
283.06149	0.3
293.04541	100.0
294.04895	9.5
295.06229	0.9
298.04257	0.3
307.06128	0.5
311.05600	0.8
312.05997	0.8
323.05536	1.0
335.05331	0.7
397.09250	40.7
398.04678	0.5
398.09579	6.4
415.23196	0.7
457.11307	1.1
457.23721	0.7
458.10846	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1139
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	32.5
60.01583	0.5
61.98711	0.7
69.77995	2.7
71.01250	2.2
72.32938	0.5
74.70489	0.5
85.02836	1.4
89.02306	1.0
101.02325	1.1
113.02325	1.4
117.03332	5.9
119.03278	0.6
131.01312	4.3
166.84737	0.5
173.02359	4.0
175.00290	12.7
176.00618	1.1
193.06485	0.8
237.05394	0.8
265.04947	0.8
281.04605	0.8
287.36447	0.6
293.04541	100.0
294.04913	9.9
323.05545	1.3
335.05582	0.8
353.06735	0.9
397.09299	34.4
398.09555	5.0
411.25186	0.7
456.54944	0.6
457.11182	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	456.1511
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91595	0.4
55.01755	3.4
56.84821	0.4
56.99693	0.5
57.03320	4.1
57.06723	0.4
58.00472	4.8
59.01248	95.9
60.01587	1.3
68.99677	0.9
69.03326	7.8
69.11504	0.4
69.85146	1.0
69.85538	1.0
71.01253	100.0
71.04871	0.4
72.01598	1.6
72.99178	6.3
73.02817	16.5
75.00716	0.5
79.01765	0.7
81.03318	3.3
83.01253	8.5
84.02043	0.9
85.02821	27.9
85.99972	0.6
86.03184	0.4
87.00751	6.7
88.44856	0.4
89.02314	81.4
90.02659	1.2
93.03311	0.6
95.01274	5.6
97.02821	9.0
99.00758	6.6
99.04385	0.5
101.02320	59.5
102.02655	1.7
107.03373	0.6
108.95437	0.5
109.02834	1.0
111.00771	3.0
113.02327	32.4
114.02656	0.5
115.03957	0.5
119.03386	37.3
120.03724	1.1
121.02840	0.8
125.02329	29.0
126.02670	0.8
126.13021	0.4
129.71744	0.4
131.03505	10.4
131.05023	0.4
133.06516	0.7
135.04422	0.4
137.02332	0.6
139.03883	1.6
141.01781	0.8
143.03394	10.4
145.04890	1.1
149.04448	2.7
155.03404	0.8
159.02899	1.7
161.04465	23.4
162.04817	0.8
167.03377	1.1
175.03912	1.3
179.05533	20.6
180.05807	0.4
188.05536	1.3
189.05505	1.0
203.05464	1.1
205.03334	0.4
221.06607	17.6
222.06833	0.8
233.06688	0.7
243.65913	0.5
245.06610	3.9
263.05026	0.7
263.07690	9.1
264.07968	0.6
312.57639	0.4
323.09814	31.0
324.10257	2.6
456.15253	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	456.1512
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71552	1.1
55.01744	1.3
56.06997	1.1
57.03316	2.9
58.00449	3.5
58.42157	1.0
59.01249	100.0
68.51677	1.2
69.45311	5.9
71.01250	74.2
72.99166	3.6
73.02820	10.8
75.00761	1.9
78.95752	1.5
83.01252	5.9
85.02825	18.1
87.00744	5.0
89.02317	56.4
90.98457	1.2
95.01267	4.7
97.02809	2.3
98.19875	1.5
99.00755	4.3
101.02319	40.4
113.02328	31.7
119.02594	1.6
119.03388	21.8
121.02826	1.2
123.04398	1.9
125.02321	3.5
130.06714	1.2
131.03650	20.8
132.04022	1.3
143.03401	10.1
146.03685	1.4
149.04425	2.4
159.02957	2.0
161.04457	37.2
161.05835	2.8
163.05968	1.5
164.04623	1.9
179.05508	7.6
179.07066	4.6
188.05563	8.7
217.61824	1.1
220.53925	1.3
221.06554	7.1
249.07671	1.5
274.98294	1.3
294.09802	2.8
323.09833	4.6
456.15018	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	456.1507
Annotation	amygdalin
Peak:m/z	Relative Intensity
50.19967	2.4
52.46551	2.1
55.01746	5.3
57.03316	3.2
58.00456	3.3
59.01244	87.0
69.03311	4.7
71.01250	100.0
71.50863	4.3
72.99171	5.5
73.02808	31.0
83.01251	12.0
85.02817	45.5
87.00744	10.2
89.02311	65.7
89.14654	2.1
89.99561	2.1
90.44562	2.0
95.01254	8.7
97.02820	8.4
99.00748	11.4
101.02316	81.7
103.03839	7.2
113.02320	51.0
113.62627	2.8
115.03900	2.6
119.03381	32.7
119.04832	3.3
121.02834	44.7
125.02370	11.3
131.03441	12.7
132.04442	2.7
135.04402	10.4
136.12639	2.4
143.03416	18.0
145.04964	2.5
146.02397	2.5
147.04350	3.6
148.03911	7.4
159.02888	6.0
161.04462	93.5
161.05811	5.3
162.04739	3.9
163.06027	19.3
165.14728	2.3
175.03874	2.5
179.05513	17.1
188.05583	17.6
205.04942	6.0
205.06993	3.9
221.06662	12.0
231.06569	8.2
245.06621	9.6
263.07715	11.7
294.09665	8.1
323.09763	20.1
456.15048	43.8
457.15698	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	456.0935
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	35.9
61.98692	4.9
63.99123	1.2
71.01249	5.5
71.50843	2.0
72.99191	1.2
73.02802	3.3
74.02316	1.5
83.01259	2.7
85.02828	4.2
89.02313	4.1
101.02326	3.5
109.02827	2.4
113.02323	4.6
117.03336	2.0
119.03405	2.5
119.04927	1.2
121.02856	2.7
133.02841	38.5
134.03696	1.8
135.04390	2.4
141.06824	1.2
145.02846	1.6
149.02359	1.7
151.00250	3.0
161.02341	9.1
161.04500	1.4
163.00256	11.8
163.03903	4.1
165.01849	3.6
175.00392	1.4
175.02507	1.8
175.03911	7.1
177.01871	3.2
188.01128	1.5
193.01321	2.1
199.03874	4.1
201.01790	3.9
202.02502	1.9
213.05537	1.7
217.04987	2.0
224.04659	1.9
225.05530	4.6
227.03499	3.7
240.04266	2.0
241.05075	3.6
253.05101	6.8
255.02965	4.2
269.04636	7.2
270.04953	1.9
281.04575	2.5
283.06119	2.1
284.03259	10.8
285.04016	43.4
286.04282	2.4
293.04709	2.5
295.06122	2.4
297.04022	84.9
298.04758	47.7
299.05566	21.9
300.06052	1.9
309.04041	3.2
310.04587	2.0
311.05576	21.4
312.05975	1.9
323.05536	2.8
324.02713	13.1
325.03525	50.3
326.03842	5.9
327.05069	100.0
328.05350	9.6
330.03680	1.7
337.03638	2.9
339.05066	31.7
340.05331	4.1
343.04755	2.4
352.18314	1.7
355.04562	6.1
357.06146	79.2
358.06326	8.6
365.06537	2.4
367.04535	2.0
383.07434	1.8
385.05618	4.6
393.06104	3.6
394.05969	1.8
411.07214	16.5
429.08218	87.3
430.08636	12.7
456.09348	82.7
456.19794	2.7
457.09476	11.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.0936
Annotation	Unknow
Peak:m/z	Relative Intensity
55.91225	0.3
59.01236	1.6
60.88699	0.3
62.83360	0.3
65.00179	0.6
71.01240	0.5
71.20621	0.9
73.87572	0.3
79.01756	0.6
83.01248	0.8
85.02813	0.3
89.02319	0.4
97.02821	0.8
99.08014	0.4
101.02344	0.4
105.03335	0.5
107.01269	0.8
109.02812	2.1
119.04881	0.7
121.02850	1.8
123.00778	0.4
123.04408	1.1
125.02332	1.4
127.07557	0.4
129.05460	0.4
132.02051	0.5
133.02835	18.1
134.03575	1.1
135.00751	0.6
135.04422	1.2
137.02356	0.9
145.02867	0.4
147.04416	0.8
149.02351	1.4
151.00243	1.1
161.02344	3.4
162.02686	0.4
163.00281	4.6
163.03925	2.7
165.01807	1.9
170.14606	0.3
173.02359	0.6
174.03159	0.5
175.03918	4.0
175.44063	0.3
177.01848	1.3
185.06021	0.4
187.03925	0.3
188.01070	0.4
189.01801	0.5
189.98999	0.6
190.30278	0.3
191.03410	1.4
193.01315	1.8
195.04593	0.4
196.05202	0.5
197.06064	0.5
198.03087	0.5
199.03932	1.6
201.01877	1.9
202.99765	0.4
211.03947	1.0
212.04691	0.8
213.05498	1.1
217.05028	0.8
224.04666	0.6
225.05585	2.1
226.02597	0.6
227.03487	1.0
227.06897	0.4
229.04913	0.8
231.06667	0.4
237.05539	0.6
240.04233	1.0
241.05028	1.4
243.02902	0.8
243.06775	0.4
251.03481	0.7
253.05048	2.4
254.05457	0.4
255.02989	1.8
256.03677	0.6
267.02948	0.5
268.03677	0.4
269.04581	2.6
270.05185	0.3
271.06027	0.5
279.03055	0.4
279.83102	0.4
281.04507	0.8
283.05942	0.4
284.03253	8.4
285.04034	12.0
286.04364	1.0
296.03186	0.4
297.04019	27.4
298.04761	20.7
299.05536	16.3
300.05923	1.3
309.04129	0.8
311.05536	6.8
323.05417	0.5
324.02664	5.8
325.03473	15.6
326.04153	2.5
327.05063	100.0
328.05408	9.2
330.03671	0.6
337.03488	2.2
337.07217	0.6
338.04022	0.3
339.05066	8.1
340.05362	0.7
343.04556	1.9
355.04654	0.9
355.08533	0.4
357.06128	24.1
358.06442	1.8
365.06647	0.5
367.04514	1.1
367.08621	0.5
383.07617	0.6
385.05438	0.8
393.05875	1.6
394.05899	1.1
411.07178	9.1
412.07251	0.9
429.08215	27.0
430.08664	3.3
456.09317	27.2
457.09659	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	456.0935
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09422	0.3
59.01240	0.6
65.00184	0.6
69.81898	0.3
70.97694	1.0
79.01759	0.9
83.01250	0.7
85.02826	0.5
97.02817	0.5
105.03337	0.5
107.01273	0.6
109.02837	1.9
119.04899	0.9
121.02824	1.5
123.28944	0.4
125.02320	1.1
133.02841	16.2
134.03609	0.7
135.00758	0.7
135.04388	1.2
137.02336	0.5
142.75099	0.3
145.02859	0.4
147.04427	1.2
149.02313	1.5
151.00246	1.0
160.98709	0.3
161.02371	2.6
163.00267	4.0
163.03915	3.4
165.01840	2.4
173.02327	0.4
174.03076	0.5
175.03899	4.1
177.01828	1.1
178.71001	0.3
187.03835	0.4
189.01895	0.5
189.98982	0.5
191.03436	1.3
193.01353	1.5
198.03163	0.5
199.04005	2.4
199.07552	0.4
201.01863	1.2
203.03386	0.5
211.03952	0.8
212.04646	0.5
213.05453	2.0
215.41110	0.3
217.05017	0.4
224.04706	0.7
225.05516	1.6
226.02640	0.4
227.03410	1.1
227.06985	0.6
229.04984	0.6
237.05609	0.5
237.83534	0.3
239.03456	0.5
239.06963	0.4
240.04311	0.9
241.04961	1.4
243.02922	0.6
252.71625	0.3
253.04922	1.7
255.02997	1.4
255.06393	0.8
256.03741	0.5
257.04404	0.4
261.94989	0.3
269.04480	2.1
270.05170	0.7
281.04404	1.0
283.02423	0.5
283.05875	0.5
284.03262	9.4
285.04007	12.3
286.04367	0.9
297.04028	24.9
298.04745	16.1
299.05566	16.9
300.05872	1.1
309.04089	0.6
311.05585	5.9
313.03690	0.4
314.03918	0.3
315.60596	0.4
323.05640	0.6
324.02734	3.4
325.03497	13.9
326.03876	1.7
327.05078	100.0
328.05438	9.3
330.03778	1.1
337.03491	1.0
339.05090	6.1
340.05496	0.5
341.03192	0.4
343.04645	3.7
355.04391	1.0
357.06137	23.4
358.06512	2.6
367.04614	1.0
383.07690	0.5
385.05566	0.7
393.06006	1.0
411.07208	4.5
412.07458	0.8
429.08255	22.2
430.08539	2.7
456.09332	29.8
457.09665	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	456.0936
Annotation	Unknow
Peak:m/z	Relative Intensity
54.56412	5.3
59.01255	46.2
71.01254	9.4
84.24680	4.9
85.02830	12.8
89.02239	7.2
109.99500	5.0
114.70551	5.2
133.02861	29.5
146.29156	5.2
149.02341	6.3
161.02264	6.9
163.00264	10.7
175.03853	8.4
177.01831	9.7
209.05826	5.1
253.04977	7.3
267.06622	29.4
269.04483	8.0
277.05078	7.0
284.03015	11.1
285.03983	52.0
286.04355	6.0
295.06149	51.9
297.04047	64.7
298.04657	34.9
299.05441	34.2
307.05963	7.0
311.05569	36.5
312.05722	6.3
313.03476	14.3
324.03000	8.8
325.03616	59.0
325.07172	13.3
326.04276	7.5
327.01566	6.9
327.05118	100.0
328.05579	10.7
337.03543	23.8
337.07465	6.9
339.05084	24.0
343.04565	6.7
355.04541	21.2
357.06104	78.6
358.06418	7.4
385.05811	8.5
394.56699	5.5
397.09262	7.7
411.07059	47.3
412.07526	6.8
429.08160	89.0
430.08704	13.0
456.09259	34.5
457.11191	25.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.2647
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38615	0.9
57.03322	1.3
58.00467	4.5
59.01248	100.0
61.98693	1.0
69.16908	1.8
69.17313	9.1
71.01250	65.2
72.99179	7.3
73.02822	2.9
83.01243	3.5
85.02824	11.6
87.00751	4.4
89.02315	86.5
90.02658	1.3
95.01277	4.2
99.00742	2.2
101.02323	44.9
102.02727	1.2
109.01984	1.0
113.02324	22.6
119.03387	45.7
121.10130	10.4
125.02278	1.3
131.03403	4.2
135.02841	1.4
135.75821	1.2
143.03380	7.1
149.04465	3.4
161.04460	6.4
171.10207	19.4
174.01688	2.4
179.05537	13.8
185.11745	3.3
197.11700	1.3
211.13252	1.3
218.34708	1.0
227.12804	1.9
231.21191	2.1
275.20151	61.3
276.20413	5.4
293.21204	53.2
294.21530	6.0
341.75082	1.2
360.77460	1.0
362.02008	1.1
433.67120	1.0
455.26419	22.8
456.26709	3.8
479.62939	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	455.3526
Annotation	Oleanolic acid
Peak:m/z	Relative Intensity
50.29657	0.5
55.89227	0.5
59.20851	0.5
67.28583	0.5
67.59101	0.5
70.53472	2.0
71.01247	0.8
82.80610	0.5
85.89314	0.5
116.23167	0.5
117.30376	0.6
123.76821	0.5
134.34459	0.6
170.26324	0.6
219.62448	0.5
250.72060	0.5
327.78394	0.5
407.33017	0.6
455.35278	100.0
456.35617	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	455.2437
Annotation	Lucidenic acid F
Peak:m/z	Relative Intensity
50.18781	0.3
54.66817	0.3
55.09990	0.4
59.01250	0.4
71.01254	1.2
71.51585	0.5
75.00749	1.4
78.95780	2.9
80.96211	0.7
95.04892	0.5
98.20564	0.3
105.03337	0.3
117.03359	1.3
129.01846	0.4
132.02090	0.7
133.02844	20.3
134.03749	1.9
135.04407	22.3
135.89360	0.3
136.04747	1.1
137.02377	0.6
148.05191	0.9
149.06021	0.4
152.99501	1.0
156.73491	0.4
161.02345	100.0
162.02701	5.3
177.03969	1.4
179.03404	6.0
197.53612	0.4
198.04207	0.6
253.64380	0.3
255.23329	2.2
256.23563	4.8
257.23907	3.9
258.24155	2.6
263.20117	1.2
275.20239	1.7
277.21695	1.7
290.14706	0.3
293.21194	3.1
332.86914	0.4
437.23141	1.1
455.24231	29.6
456.24658	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68314	0.5
55.01756	1.1
57.03326	1.5
58.00465	1.9
59.01250	100.0
60.01590	0.9
69.03318	1.9
70.79610	0.8
70.79954	1.2
71.01254	48.2
72.01576	0.8
72.99176	4.2
73.02818	36.3
74.03183	0.7
75.00745	1.1
78.95776	1.0
81.03307	0.7
83.01258	12.2
83.04904	0.7
85.02826	7.4
87.00741	3.0
87.34728	0.5
89.02316	22.7
95.01257	2.2
97.02823	0.6
99.00775	1.1
99.04393	3.2
101.02322	37.1
102.02657	1.0
105.01819	0.8
107.93683	0.6
110.02892	0.5
113.02334	12.8
117.01827	0.6
119.03399	7.8
125.02350	1.8
125.09621	0.8
127.05035	1.0
128.03426	1.4
129.30104	0.5
131.03412	2.7
133.02863	0.7
143.03427	3.1
145.06065	3.7
146.04495	1.9
149.04466	2.0
155.03421	1.5
159.27603	0.7
160.36592	0.6
161.04451	4.2
175.00282	0.7
179.05524	2.0
185.11801	0.6
220.93553	0.6
233.15459	4.9
243.13318	0.6
251.16518	0.7
265.17984	0.6
289.18152	0.9
289.23074	0.6
293.04498	4.0
311.05637	1.7
327.04965	1.1
327.64386	0.6
395.20926	3.2
413.21771	8.5
414.22519	1.1
455.22827	49.7
456.23108	7.8
474.22617	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1767
Annotation	(LRha)3
Peak:m/z	Relative Intensity
59.00957	2.5
59.01254	42.5
70.20573	6.3
70.20919	2.0
71.01266	9.5
72.99158	2.3
73.02806	8.3
85.02814	3.5
87.00733	2.6
89.02301	7.6
101.02321	18.6
103.03881	7.5
107.34600	1.6
113.02370	2.3
119.03394	4.2
129.05473	4.9
131.03383	6.7
136.05057	1.8
141.15588	2.0
143.03374	8.3
149.77403	1.7
163.06023	21.4
168.62532	2.0
168.88643	1.9
197.14725	1.9
198.88226	1.8
205.07138	11.6
213.86674	1.8
247.41345	1.6
392.44873	1.8
455.17703	100.0
456.17899	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	455.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
53.98056	2.6
55.46145	3.2
59.00964	3.6
59.01249	65.0
71.01244	40.3
73.02821	21.2
75.00726	3.0
76.61019	2.4
78.95763	9.1
79.33823	3.0
83.01248	12.2
85.02833	19.9
87.00743	3.1
89.02300	6.3
96.95883	2.8
98.20009	3.2
99.00770	6.7
101.02312	50.9
109.70657	2.8
113.02310	19.0
115.53927	2.9
137.65659	2.8
159.02885	3.5
161.04453	8.0
249.13414	79.6
250.13628	7.3
267.25922	3.0
313.34885	2.7
395.19183	100.0
396.19473	11.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.0974
Annotation	FMN
Peak:m/z	Relative Intensity
52.81035	0.9
55.01753	1.0
57.03294	0.9
59.01248	18.3
62.88385	0.9
71.01250	20.3
71.49972	1.3
72.55036	0.8
72.99190	1.8
73.02819	2.0
78.95773	84.5
81.02689	0.8
81.03257	0.9
83.01254	1.7
83.46408	0.9
85.02824	3.7
87.00757	1.8
89.02313	14.6
94.65345	0.9
95.01272	1.5
96.96840	100.0
97.02842	1.4
97.40888	0.9
99.00764	1.2
101.02323	9.8
111.36997	0.9
113.02338	6.7
119.03419	6.0
125.02313	4.6
131.03575	1.9
138.97920	2.8
152.07344	1.0
161.04500	3.9
179.05554	2.9
184.08746	1.5
198.06526	1.5
199.00029	10.3
212.08218	4.9
213.01631	9.2
221.06665	2.9
241.07164	4.8
255.08817	5.2
263.07785	1.4
323.09799	4.5
369.86719	1.1
455.09726	19.5
456.09973	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	455.1689
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	1.0
59.00967	0.8
59.01247	12.7
61.98682	0.8
65.00183	0.5
70.90587	0.8
71.01252	3.0
73.02803	1.3
74.24172	0.4
77.56571	0.4
78.95324	0.5
78.95770	9.2
83.01244	1.5
85.02828	3.8
89.02294	1.7
95.01254	0.4
96.95886	0.4
96.96802	0.8
101.02335	1.9
107.01266	0.8
109.02815	1.2
111.00728	1.2
113.02305	1.1
117.03323	0.7
119.04874	0.5
121.02825	1.6
125.02281	1.2
128.03369	0.6
129.01799	1.1
133.02834	13.4
134.03603	1.2
135.04367	1.3
137.02261	0.5
141.22229	0.4
145.02838	0.4
147.04427	0.7
149.02347	1.3
151.00243	1.0
152.99478	9.7
161.02361	3.2
161.04381	0.6
163.00308	4.2
163.03966	2.4
165.01826	1.8
165.12718	4.4
171.00528	1.1
173.02380	0.7
175.00279	1.1
175.03868	3.2
177.01785	0.6
183.13831	18.4
184.14134	1.1
189.01749	0.4
189.98975	0.6
191.03369	1.1
193.01270	1.2
196.05159	0.4
199.03911	1.7
201.01859	1.8
202.99664	0.4
203.03368	0.4
205.03397	1.0
209.05934	0.5
209.11568	0.8
211.03847	0.9
212.04482	0.4
213.05501	1.4
215.03374	0.5
223.04576	2.2
224.04745	0.5
225.05563	1.3
226.06265	0.4
227.03316	2.2
227.07062	0.5
227.12816	8.4
228.13245	0.4
229.04953	0.7
237.05545	0.5
239.07156	0.4
240.04201	1.0
241.05045	0.9
243.03032	0.6
251.03481	0.6
252.04184	0.4
253.05052	1.6
254.05748	0.6
255.02959	1.4
255.06804	0.7
267.06839	0.4
269.04514	2.6
270.05176	0.5
280.03793	0.4
281.04614	0.5
284.03287	7.8
285.04034	11.5
293.01447	0.5
293.04593	7.6
294.04965	0.8
295.05975	0.5
297.04025	25.1
298.04803	17.9
299.05591	13.4
309.04257	0.8
311.05603	7.0
313.03296	2.3
313.95340	0.4
321.04150	0.6
323.05536	0.7
324.02734	5.3
325.03506	17.0
326.04224	1.5
327.05069	100.0
337.03400	2.4
339.05072	8.2
343.04504	1.8
355.04587	1.8
357.06110	22.9
365.06937	0.5
367.04529	1.0
383.07632	0.6
385.05472	0.6
393.06122	1.5
394.05719	0.7
395.07410	1.1
411.07205	9.1
413.21649	0.5
428.07330	0.4
429.08237	25.2
455.16830	19.1
455.22366	1.1
456.09357	29.0
456.16791	2.4
464.04059	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.2921
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06138	1.3
52.77979	1.3
58.84861	1.3
59.01240	2.5
61.98700	100.0
71.48936	1.6
82.35737	1.6
84.65168	1.4
88.98663	2.5
90.48887	1.3
193.08372	1.4
252.24434	1.4
267.02304	1.3
331.81671	1.4
359.71771	1.4
455.07327	1.9
455.34714	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	455.0287
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	5.5
70.41950	1.0
71.01265	2.6
73.02834	1.0
75.00745	0.6
78.95768	2.3
85.02800	1.3
87.00752	0.8
89.02317	0.9
96.95855	0.9
96.96845	0.8
97.02811	0.8
98.95473	0.6
99.00741	1.3
99.92452	12.0
100.92468	0.8
100.93214	0.7
101.02330	1.9
103.00239	0.8
113.02327	1.5
115.91959	22.3
116.92742	100.0
117.92761	4.7
125.02324	1.0
139.73792	0.6
140.92796	0.8
142.94354	0.8
143.10625	0.7
160.02144	4.3
161.04425	0.8
173.53113	0.7
183.94702	0.7
184.91762	0.8
188.01674	3.9
215.62682	0.5
249.13634	0.9
333.00732	0.6
351.01749	3.1
368.08066	1.3
369.02676	3.0
395.19077	1.8
411.03790	4.6
412.04126	0.6
455.02896	7.6
456.03281	1.0
456.09430	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.2623
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	8.4
60.68651	5.4
66.92297	6.3
70.66904	16.5
71.01240	19.9
78.16844	6.2
81.24618	6.1
87.00750	12.1
89.02294	12.4
110.25973	8.0
131.00137	6.4
145.58438	5.9
186.60770	7.3
205.26099	6.4
233.77139	6.2
255.23283	100.0
269.24713	6.5
279.23129	7.2
297.62753	6.2
309.29202	7.6
326.51605	6.8
375.25388	6.9
386.29297	7.6
453.26074	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	453.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	37.6
61.98753	8.5
70.83186	9.1
71.01255	17.7
71.04890	11.7
71.50047	15.3
72.99181	31.7
75.00740	52.7
76.34141	9.9
78.95799	10.0
80.39564	7.9
87.00752	8.8
88.98689	61.9
89.02312	13.8
90.91495	8.0
95.04919	13.4
99.00745	20.8
101.91866	8.8
104.44256	8.3
104.97892	10.1
107.04869	10.3
112.98676	16.5
114.23731	8.7
115.00278	11.4
116.22539	8.2
117.01804	11.8
125.09689	9.1
134.04578	11.2
135.02882	79.4
137.47264	9.7
142.99747	21.4
165.12732	21.5
170.15901	10.2
172.99423	8.5
173.00844	13.7
174.01596	100.0
175.02390	10.6
263.20142	35.5
264.09775	19.0
279.19696	27.6
291.19675	67.8
292.20102	9.3
301.18283	10.9
303.19852	9.6
309.20782	10.5
313.18030	15.9
317.17581	80.5
319.18918	11.2
331.19095	60.4
332.12668	13.5
335.18588	29.9
335.97675	9.6
355.19040	13.8
357.17102	74.8
375.18222	14.3
387.18231	16.3
399.17932	21.0
417.19110	25.7
435.19983	20.7
448.20981	9.5
453.24820	14.9
454.24591	28.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26199	1.5
55.01742	1.6
57.03326	2.3
58.00471	3.3
59.01253	100.0
61.98703	37.0
69.56337	7.5
71.01256	36.9
72.99162	5.1
73.02821	18.1
74.90077	1.3
75.00726	2.2
83.01252	4.8
85.02838	10.7
87.00755	9.2
87.04391	1.9
89.02319	37.6
97.02799	1.7
101.02325	44.9
103.03911	15.4
113.02356	8.8
115.03886	5.2
119.03399	15.8
125.02347	2.8
131.03391	6.5
137.41486	1.3
143.03418	10.6
145.04944	4.8
161.04498	2.8
163.06046	60.1
164.06342	2.4
165.01878	1.4
178.72386	1.5
179.05534	7.7
205.07120	19.3
247.11859	3.9
265.09238	7.3
393.17633	33.3
394.18185	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	453.1949
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45348	0.4
57.47810	0.6
59.67092	0.4
69.76004	3.2
71.01254	9.4
78.95788	0.5
81.06906	0.5
97.91870	0.5
99.16360	0.5
99.92455	28.0
100.92533	1.2
100.93245	4.0
115.91959	100.0
116.91994	5.0
116.92740	67.2
117.92722	2.9
128.80603	0.5
132.92253	1.5
144.95872	0.9
171.26558	0.5
172.95387	38.7
173.95392	3.3
186.93338	0.7
255.23325	0.7
279.23358	2.5
379.15884	0.8
395.15482	0.9
435.18375	1.0
453.19495	5.3
454.19864	1.2
467.38586	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1799
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01748	1.0
55.13589	0.7
57.03333	1.2
58.99471	16.0
59.01246	26.2
61.98682	1.3
71.01249	19.3
71.50973	1.2
72.99181	1.4
73.02817	8.4
83.01250	2.6
85.02824	6.9
87.00747	25.2
87.01283	1.4
89.02312	5.2
95.01257	1.1
96.95879	1.1
97.06444	1.1
99.00761	1.8
101.02320	9.0
102.98468	95.8
113.02331	7.6
115.00236	1.1
117.03394	0.6
119.03400	1.8
120.99520	1.2
139.11179	5.3
143.03400	1.2
151.07555	1.3
152.08299	2.9
153.09120	2.8
159.02872	1.1
161.04451	8.0
161.09633	1.1
165.09151	1.0
175.02376	1.1
175.03844	0.7
179.05559	1.4
187.11122	1.2
201.01874	1.6
203.11063	0.9
205.07137	1.3
215.03369	0.8
231.13850	3.4
243.02812	1.2
245.00865	1.6
249.06110	14.6
249.14919	3.9
283.04916	100.0
284.05267	6.4
327.05026	1.0
339.05185	1.1
364.00317	0.8
393.05899	0.8
393.19153	1.0
453.08243	11.8
453.17743	2.5
454.08487	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	453.1799
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52590	0.6
53.90646	0.6
57.03336	1.2
58.99472	14.8
59.01247	9.7
59.39742	0.6
61.98684	3.3
69.16328	5.9
69.16730	1.5
71.01249	12.8
71.01628	1.1
71.31478	0.6
72.99158	0.8
73.02790	3.4
73.33962	0.6
80.63392	0.6
83.01266	1.6
83.04893	0.7
85.02805	6.0
87.00746	26.0
87.01285	1.3
89.02312	4.4
95.01262	1.0
97.45052	0.6
98.20571	1.5
99.00742	1.4
101.02313	8.1
102.32302	0.7
102.98472	93.3
103.98830	1.4
113.02330	5.0
119.03393	1.4
120.99541	0.6
139.11209	3.6
143.03381	1.0
161.04449	8.2
179.05519	1.2
203.11098	1.5
204.36127	0.6
249.06134	13.7
250.06364	1.3
253.62535	0.6
272.81296	0.7
283.04913	100.0
284.05222	5.8
285.12671	0.7
453.17969	6.7
456.75830	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1015
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	1.1
67.04832	0.6
70.64754	1.7
78.95774	100.0
85.02795	0.5
88.19663	0.5
89.02342	0.7
96.95895	3.0
108.90073	1.4
110.89796	24.3
110.98409	78.2
111.98779	0.8
126.28076	0.5
127.57489	0.7
185.48515	0.6
222.19688	0.5
245.14484	0.5
261.07407	0.5
264.96667	0.6
311.64047	0.6
415.14966	0.8
453.10422	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	452.2779
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23737	0.2
63.47922	0.2
69.84589	0.9
78.95773	10.9
96.96830	0.7
98.20483	0.3
102.87811	0.2
116.92725	0.2
122.00019	0.4
140.01080	1.7
142.31757	0.2
148.98990	0.2
152.99477	1.6
171.00534	1.8
196.03706	1.2
214.04779	2.0
255.23254	100.0
256.23605	8.8
393.19608	2.2
404.03943	0.2
452.27783	9.8
453.28268	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	453.0827
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38341	0.3
59.01243	3.1
61.98699	0.4
69.29974	3.0
71.01244	0.7
73.02837	0.3
75.00713	0.4
86.48656	0.3
87.00770	0.3
93.03327	0.7
98.02313	0.3
101.02277	0.5
117.03350	14.9
118.03700	0.4
120.99547	1.6
122.05986	0.4
131.04918	0.3
138.96898	0.3
143.04845	0.7
145.02835	0.6
161.02341	0.7
173.02354	1.1
175.03897	0.7
177.01883	0.5
185.02312	0.4
187.03915	1.8
189.01866	4.5
190.02521	0.8
190.62753	0.3
199.04001	1.6
201.01863	16.0
202.02272	0.7
202.99786	0.5
203.03389	0.6
213.01915	3.0
214.02559	1.0
215.03421	4.1
216.00513	1.3
216.03679	0.4
217.01367	3.0
225.01857	1.7
229.01392	1.4
229.04811	0.4
231.02959	10.2
232.03185	0.9
243.02954	8.5
244.03323	0.7
245.00879	8.1
246.01587	1.2
247.99683	0.5
255.02913	1.5
263.07233	0.6
269.00854	0.9
269.04419	0.3
271.02310	0.8
273.04025	2.6
275.01935	0.7
278.05728	0.5
279.06509	0.6
287.07355	0.3
290.05875	0.8
291.04984	2.3
293.04575	0.5
299.01895	1.2
303.06754	0.3
305.04605	1.3
306.05185	0.6
307.06137	1.8
315.05353	0.4
317.04340	0.6
319.06195	2.0
321.03989	0.8
321.07678	1.4
333.03735	2.4
334.04730	2.7
335.05634	3.7
336.05695	0.4
349.03458	0.6
349.07214	3.9
350.07693	0.4
359.03943	0.5
363.05121	6.8
364.05176	0.7
366.03674	1.4
375.05072	0.6
393.06122	4.3
394.06323	0.4
397.75830	0.3
436.18716	0.5
453.08246	100.0
454.08554	15.5
454.14981	0.4
454.19086	0.7
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	16:0 LYSO-PE
Peak:m/z	Relative Intensity
69.31895	2.7
77.87749	0.3
78.95773	25.4
96.96841	0.6
98.19657	0.3
99.27963	0.3
122.00034	0.8
133.82506	0.3
140.01089	5.4
152.99513	2.6
171.00560	0.8
179.72858	0.4
196.03726	9.6
197.04028	0.4
214.04787	1.5
255.23270	100.0
256.23618	9.2
256.25562	0.3
305.49579	0.5
398.82278	0.4
452.27829	26.9
452.63116	0.4
453.27936	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	452.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00958	0.3
52.06746	0.3
54.34979	0.4
56.27791	0.3
56.86847	0.4
59.01250	23.1
60.01587	3.5
61.01667	3.3
61.98701	100.0
62.45071	0.4
69.18562	3.5
71.01247	3.6
73.02832	0.7
83.01269	0.5
85.02844	1.0
87.00750	0.6
89.02306	2.0
99.00792	0.4
101.02331	2.4
106.70380	0.4
113.02338	1.1
115.90504	0.3
120.99575	0.3
143.03409	0.6
146.47801	0.4
161.04482	0.8
162.04854	0.5
163.04950	0.7
165.01849	0.5
195.06552	0.6
210.01666	0.3
214.00104	0.3
228.16827	0.5
254.49788	0.4
318.59595	0.4
392.22598	1.7
393.17682	1.4
428.67722	0.4
452.22568	0.7
453.84814	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.278
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45549	0.5
58.94177	0.6
69.31691	4.9
70.75268	0.5
78.95773	100.0
96.96851	6.6
96.97453	0.9
99.59365	0.6
122.00019	0.9
140.01089	5.5
152.99493	14.9
153.99893	0.7
167.22734	0.6
170.04619	0.5
171.00543	16.7
196.03728	10.0
214.04788	2.0
255.23254	98.9
256.23602	9.2
378.24222	1.5
412.45383	0.6
452.27802	70.2
453.28122	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	452.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
54.77038	1.4
59.01249	22.6
61.98701	100.0
66.91221	1.5
71.01244	3.8
71.50347	1.9
71.50705	1.6
73.02814	2.4
79.45018	1.4
85.02828	2.4
87.00774	1.4
89.02299	6.8
89.90344	1.3
101.02310	7.5
103.03843	1.5
109.02755	1.3
118.84742	1.3
121.40161	1.2
163.06042	6.7
170.88763	1.4
195.06625	2.0
205.07094	2.1
390.55502	1.4
393.17590	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	452.1772
Annotation	Unknow
Peak:m/z	Relative Intensity
57.24391	0.9
59.01247	11.9
61.98701	100.0
63.78193	1.1
65.96669	0.9
70.83955	3.2
71.01248	3.6
72.99185	1.1
73.02811	1.6
78.95795	1.6
84.14474	1.0
85.02820	4.3
86.11969	1.1
87.00774	2.4
89.02330	3.1
93.20139	1.1
99.16817	0.9
101.02324	2.0
119.03397	1.1
152.99529	1.3
165.12778	5.2
179.05504	2.3
183.13815	18.0
184.14207	1.9
227.12848	10.8
256.08524	1.2
285.12436	3.1
389.18121	18.8
390.18738	2.3
452.18326	3.1
460.37271	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	452.1776
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03438	1.1
55.13964	1.0
58.37671	1.1
59.01260	10.8
61.98704	100.0
64.95460	1.1
66.29106	1.2
69.54765	3.4
69.55196	5.1
70.78809	1.1
71.01251	4.5
85.02840	4.1
89.02318	2.1
98.19827	1.4
99.00761	1.3
101.02322	2.7
113.02339	1.6
119.02025	1.3
149.51155	1.3
157.37631	1.2
162.05513	1.9
165.12735	7.0
183.13824	20.8
184.14197	1.7
227.12854	43.3
228.13135	3.2
251.12944	1.5
256.08575	4.6
283.10880	1.5
285.12418	15.9
286.12842	2.0
389.18256	4.9
393.19522	1.8
408.19199	4.7
452.18188	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	451.3289
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02849	0.4
59.01247	1.3
61.98686	0.3
65.98449	0.2
67.61904	0.2
71.01261	0.3
75.00760	0.4
80.04950	0.3
81.02835	0.3
81.03330	9.2
83.04897	24.9
84.05234	0.6
85.02827	0.2
93.40752	0.2
107.06042	0.5
108.04421	1.3
114.05501	1.0
125.07107	3.1
126.05489	0.5
138.88564	0.2
141.01828	0.5
143.08153	1.6
172.47929	0.2
207.14990	3.0
208.15231	0.2
224.17648	4.2
225.16037	11.8
226.16322	0.9
229.20102	0.2
242.18747	1.2
268.16663	0.4
290.22748	0.2
292.20251	0.2
306.21912	0.3
307.23938	0.3
309.21643	0.3
324.26593	1.7
333.22946	3.9
334.23328	0.4
351.24023	1.0
367.27011	1.2
368.27310	0.2
385.28156	0.4
399.01123	0.2
433.26132	0.4
433.31830	5.8
434.32257	0.9
451.32880	100.0
452.33209	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	451.3173
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	100.0
61.98701	2.0
65.34354	1.3
70.51490	4.1
70.51867	1.6
78.95770	3.6
81.03333	4.3
82.35815	1.4
83.04887	13.4
191.93648	1.1
204.04486	1.2
268.56842	1.3
270.58237	1.2
391.29645	38.7
392.29901	5.4
423.82678	1.3
451.15515	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	451.3177
Annotation	Unknow
Peak:m/z	Relative Intensity
56.37574	0.7
58.35544	0.8
59.01248	100.0
60.01576	1.3
61.98674	1.1
69.91148	2.1
69.91570	2.2
78.95772	2.5
81.03330	3.3
83.04897	12.6
89.83277	0.9
121.12822	0.8
124.69270	0.9
201.28220	0.9
228.85304	0.9
295.50699	1.0
391.29654	39.0
392.30026	4.7
417.86151	0.9
451.15585	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	451.2828
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69225	0.7
64.19737	0.6
71.14724	1.1
78.95772	16.4
84.20063	0.6
86.84946	0.7
97.13039	0.6
102.99770	0.8
107.44196	0.8
110.56419	0.7
110.98399	13.1
152.99432	1.2
153.29132	0.9
157.76926	0.9
166.99706	1.0
167.01060	12.8
185.02110	2.2
189.19188	0.7
269.24924	1.3
283.26413	100.0
284.26752	11.1
451.28284	19.6
451.34509	1.0
452.28613	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	451.2908
Annotation	Unknow
Peak:m/z	Relative Intensity
55.43600	2.2
59.01227	4.0
63.65070	1.8
71.51352	3.0
71.98348	2.3
85.84344	2.5
129.20351	2.2
129.92505	2.0
153.07231	2.4
214.04506	2.4
215.91348	2.4
225.22209	38.3
226.22481	3.5
271.22760	100.0
272.23026	8.9
327.21646	2.2
338.75809	2.5
404.75372	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	451.2697
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01235	2.4
61.59115	1.0
71.01241	1.8
71.51622	1.7
90.32893	1.0
93.03327	2.1
93.29417	0.9
97.47959	1.1
97.90754	0.8
103.26659	0.9
110.62428	1.0
111.04403	0.9
137.91263	0.9
173.04419	1.7
277.21704	100.0
278.22083	9.9
412.17657	1.0
451.33090	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	451.2549
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77047	0.9
55.01756	2.4
57.03325	0.9
58.00431	1.1
59.01251	100.0
60.01566	1.0
61.98686	3.0
71.01254	32.9
71.30535	1.3
71.30873	1.1
72.99171	2.5
73.02821	7.9
75.00744	1.8
82.14163	0.9
83.01260	5.0
85.02821	14.3
87.00759	1.8
89.02322	15.7
95.01244	1.6
95.93601	0.8
97.02798	0.8
99.00751	3.2
101.02323	23.8
101.87571	0.9
102.02679	0.8
104.61491	1.1
113.02335	15.0
119.03397	5.5
125.02320	1.6
137.02319	1.3
143.03381	2.9
151.00198	0.9
159.02879	3.6
161.04465	24.9
162.04848	0.9
167.03352	1.5
179.05540	2.8
205.03490	1.7
227.07066	2.9
229.14330	1.6
229.17966	1.9
271.06076	2.1
287.38837	1.0
289.20352	1.4
319.21255	2.7
391.23410	40.9
392.23843	5.6
402.95590	1.1
433.11383	1.6
449.69965	0.9
451.25333	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	451.2548
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	100.0
60.01591	1.6
61.98696	2.8
63.96927	0.5
66.55527	0.4
69.24496	1.3
69.24905	3.4
71.01246	4.3
72.99178	0.9
73.02821	1.9
73.27302	0.4
75.00715	0.5
83.01286	0.6
85.02827	2.1
89.02309	2.2
99.04414	0.5
101.02330	3.3
107.04915	0.5
113.02347	2.1
115.00212	0.5
117.50211	0.5
119.03433	0.9
121.02865	1.1
123.04444	1.6
125.02408	0.6
137.02335	3.3
160.61618	0.4
161.04436	2.7
166.06223	0.6
179.03496	0.6
180.04254	1.1
193.05171	0.9
195.06485	2.1
223.06223	0.6
225.07672	0.6
227.07140	1.8
261.38641	0.6
271.06204	2.1
319.21268	1.2
391.23300	6.4
451.11551	3.2
451.21982	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2546
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	100.0
59.83369	0.9
67.75038	0.8
70.71010	2.1
71.01256	14.8
73.02817	2.8
83.01279	1.3
85.02814	4.3
89.02316	11.6
95.01247	1.4
101.02317	10.1
113.02346	7.8
114.28333	1.0
119.03403	6.9
120.42064	1.1
143.03352	1.7
161.04445	7.1
179.05522	2.2
183.08188	1.0
221.06731	1.5
229.18025	1.2
299.15924	1.1
349.18503	2.6
389.75842	0.9
391.19476	1.6
391.23502	12.2
392.23901	1.4
451.09723	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2336
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	2.4
59.01252	19.0
61.98701	4.4
67.01776	2.6
71.01245	22.3
71.49638	1.6
72.99171	5.5
73.02811	3.8
83.01256	4.6
83.94697	1.7
85.02827	36.2
87.00746	57.7
96.95940	2.6
111.00761	1.8
112.98710	3.6
113.02328	2.7
115.00257	53.8
116.92725	9.1
116.97106	2.5
119.03400	2.9
129.01817	5.0
157.01334	30.7
158.02013	2.5
175.02396	26.7
195.13817	8.7
223.13324	6.7
228.33226	1.6
275.20166	3.4
293.21216	100.0
294.21609	7.0
357.67496	1.8
366.13495	2.1
433.29623	2.3
451.23315	69.7
452.23685	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	451.2334
Annotation	Unknow
Peak:m/z	Relative Intensity
55.44175	1.1
57.03321	1.9
59.01253	9.4
64.16035	1.2
71.01247	4.7
71.31092	2.6
73.02820	4.3
78.95770	2.0
81.76700	1.3
83.01259	7.3
85.02828	2.6
87.00748	100.0
101.02319	7.1
109.13293	1.3
111.00761	19.5
112.98735	1.5
127.00247	1.4
129.01819	4.6
147.02881	2.9
174.54234	1.2
255.23318	2.3
263.88937	1.2
277.18631	3.3
277.21698	59.3
278.22055	6.0
279.55789	1.4
291.23245	4.8
319.22739	2.3
331.22641	2.5
389.23322	3.9
411.42545	1.3
451.33130	2.0
452.27417	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	451.2337
Annotation	Melissoidesin C
Peak:m/z	Relative Intensity
59.01242	12.7
61.98700	3.0
71.52381	4.8
73.42604	2.8
74.76174	3.2
77.10009	3.3
78.95798	4.1
84.18304	2.8
99.00739	12.7
109.06470	2.9
121.02831	15.6
132.49899	2.7
135.04411	9.2
147.04356	5.1
151.03941	16.0
151.11195	3.5
165.09163	3.3
165.12773	4.2
166.11447	2.9
175.07426	3.8
178.09894	5.9
179.10564	3.8
181.12315	3.2
187.03886	3.2
191.10606	5.5
191.14326	4.6
192.11452	9.7
193.12204	6.5
205.12225	3.7
234.08887	3.8
246.08920	3.8
285.22235	3.8
301.21674	8.2
303.23337	3.0
315.19806	3.0
317.21219	18.4
318.21567	4.7
319.19464	4.1
319.22827	15.4
329.21231	28.3
331.22644	4.4
333.20630	11.9
335.22281	20.9
343.22760	3.1
345.20636	5.9
347.22232	100.0
348.22571	12.7
359.22095	5.3
363.21887	17.0
364.22339	3.2
371.22443	13.8
373.20184	70.3
374.20425	9.3
377.23407	3.4
385.20151	6.9
389.23416	20.5
391.21265	27.2
392.22028	4.9
397.20285	3.8
403.21243	43.2
404.21487	6.0
405.22858	4.9
406.77179	2.9
415.21213	31.5
416.21637	5.9
433.22308	34.3
434.22601	4.7
451.23315	43.0
452.23682	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	451.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	100.0
68.82232	2.4
71.01247	46.0
71.50501	3.1
72.94707	2.6
72.99168	3.1
73.02811	13.4
80.17868	2.4
83.01253	10.3
85.02816	17.0
87.00751	6.5
89.02322	32.6
95.01290	5.5
97.02831	4.4
99.00779	4.2
101.01692	5.3
101.02318	40.7
105.50343	2.9
113.02325	30.6
119.03416	16.1
125.02353	4.8
131.03386	7.3
143.03377	8.5
149.04417	3.4
161.04451	20.4
179.05557	15.3
203.05536	8.9
212.37711	2.5
214.67577	2.8
221.06618	15.7
263.07751	9.1
308.11270	2.5
331.17633	3.2
332.89166	2.9
409.17148	40.0
409.77643	2.9
410.17252	5.6
436.27322	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	451.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
54.13010	0.9
55.01752	5.5
57.03321	5.9
57.03572	1.1
58.00456	2.6
59.01245	100.0
60.95324	1.1
61.98711	1.3
66.95527	0.9
69.87539	4.4
71.01247	92.4
72.01557	1.4
72.99183	5.0
73.02818	26.6
74.03149	1.2
75.00719	1.1
83.01246	15.2
85.02816	35.7
85.99982	1.5
87.00746	11.3
89.02312	37.5
90.02664	1.3
95.01265	7.9
97.02850	2.0
99.00751	12.8
101.02312	71.4
102.02657	1.5
113.02325	41.8
114.02669	1.8
118.67048	1.0
119.03374	15.5
125.02298	5.7
129.01802	2.2
131.03380	13.7
138.52145	1.1
143.03429	7.7
143.04375	1.3
149.04449	1.8
152.58551	1.0
159.02888	7.2
161.04465	40.2
179.05507	26.7
179.06984	1.7
180.04205	1.5
180.05768	1.5
195.06516	2.0
203.05539	1.4
221.06604	46.8
222.06752	1.7
241.27168	1.2
247.11880	1.5
263.07742	7.5
409.17123	37.8
410.17276	5.0
433.81812	1.1
451.17993	17.1
452.18268	2.8
467.03079	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	450.1615
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	41.6
61.98699	100.0
64.57454	3.4
66.75372	3.3
67.68331	3.0
69.36787	19.6
69.37193	7.2
71.01244	14.7
72.83598	2.8
72.99171	4.8
73.00384	3.1
78.95736	3.3
79.72644	2.7
85.02825	8.9
87.00751	5.7
89.02334	5.9
96.30226	3.7
98.20613	7.0
101.02354	7.3
113.02274	3.9
115.00263	23.8
128.03444	3.8
139.00287	4.4
157.01344	5.1
161.04425	3.9
175.00967	6.0
175.02383	53.6
211.13370	11.6
212.13736	9.6
213.13809	6.4
214.14241	3.7
215.12766	9.4
226.69156	3.7
232.03163	3.1
253.09279	4.3
327.14447	4.3
347.74527	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	450.2624
Annotation	Unknow
Peak:m/z	Relative Intensity
58.01373	0.8
58.38047	0.8
59.01244	1.7
61.53577	0.9
61.98697	1.5
62.78455	0.9
66.45456	0.8
69.75114	4.5
71.01219	0.9
73.21890	0.8
78.06187	0.8
78.95773	44.9
79.14755	0.8
80.33556	0.8
85.05762	1.0
96.61481	1.0
96.96805	1.5
98.20528	1.0
116.92727	2.4
137.22078	0.9
138.80534	1.1
139.90088	0.9
140.01068	3.8
152.99515	7.6
168.05330	0.8
171.00484	4.3
196.03722	9.5
214.04773	1.4
252.47256	0.9
253.21698	100.0
254.21960	7.9
285.76712	1.0
391.18015	5.9
450.26248	34.5
451.26724	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	449.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03307	0.4
58.00465	0.3
59.01250	8.5
65.25002	0.3
69.49515	1.8
71.01253	4.3
72.99154	0.3
73.02818	0.8
77.23067	0.3
83.01257	0.8
85.02824	1.3
87.00755	0.7
89.02312	4.0
93.03353	0.4
101.02316	5.2
113.02314	2.3
119.03412	1.4
130.80168	0.3
135.96056	0.3
143.03357	0.5
151.00314	0.3
155.65894	0.3
161.04445	2.3
167.14442	0.3
179.05542	0.7
183.13821	11.9
184.14209	0.9
195.13821	11.9
196.14185	0.7
211.13336	3.0
212.13734	2.1
212.78200	0.3
213.14911	100.0
214.15248	7.4
241.14348	0.3
253.09261	19.8
254.09727	1.3
255.09877	0.3
309.12418	0.4
329.05566	0.4
359.06818	0.4
449.27509	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03309	1.8
59.01250	100.0
60.01578	2.3
61.98693	4.1
70.37288	3.1
71.01250	24.2
72.99175	2.5
73.02808	3.5
75.00735	1.0
76.68394	0.9
83.01262	2.1
83.92342	1.0
85.02824	10.6
87.00742	2.0
87.48820	0.9
89.02322	30.1
93.03353	1.6
95.01257	1.0
97.06470	1.6
98.20372	1.1
101.02321	15.7
105.26868	0.9
111.00790	1.1
113.02322	12.3
119.03391	12.9
121.02820	1.3
124.95606	0.8
125.02316	2.1
129.01811	2.7
131.03401	1.0
133.02831	1.5
135.04408	1.2
137.02353	1.1
143.03380	3.4
143.04758	0.9
149.04448	2.0
151.00305	1.1
151.02483	1.4
151.11160	1.9
153.09137	4.8
161.04454	6.3
165.01826	1.5
165.12650	1.1
169.12263	18.8
170.17371	1.0
179.05507	8.5
180.05855	1.2
183.13739	1.2
205.03458	1.5
209.11755	1.1
209.15364	4.2
213.11226	4.4
227.12842	13.8
227.16414	1.6
243.06570	3.5
253.09222	2.1
269.04523	1.2
275.09406	1.3
287.05374	1.5
287.22406	1.4
329.05704	1.8
345.05029	1.0
383.98474	0.9
389.21762	23.4
390.22101	2.9
449.10233	4.2
449.19647	15.7
449.27676	1.9
450.20612	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2394
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	100.0
60.01587	1.4
61.98690	0.5
71.01260	4.6
71.49784	0.5
71.50211	0.8
73.02847	1.3
75.00769	0.7
85.02814	2.5
89.02309	2.2
99.00754	0.6
101.02321	4.1
113.02323	2.1
116.20840	0.4
119.03400	0.9
125.02270	0.6
137.02419	0.5
161.04460	3.6
179.05615	0.7
186.46703	0.5
205.03479	0.6
329.01743	0.4
329.06839	1.3
389.21768	4.6
390.22076	0.7
449.11209	0.8
449.24841	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	100.0
60.01587	1.1
61.98708	0.4
63.52715	0.3
68.38100	0.4
68.98160	0.3
69.56481	1.8
69.56890	0.6
71.01247	3.8
71.01556	0.3
73.02819	0.9
75.00745	0.6
78.95793	0.4
79.10297	0.4
81.03339	0.4
83.01275	0.9
85.02832	2.4
89.02343	0.9
96.95886	0.4
98.19837	0.6
99.00751	0.5
101.02316	3.1
113.02371	1.5
117.03352	0.5
119.03448	0.3
125.02350	0.6
143.03348	0.4
154.10316	0.4
159.02881	0.5
161.04495	2.6
172.66229	0.3
205.03410	0.4
227.16617	0.5
295.81277	0.4
389.21896	3.3
390.22104	0.6
449.10123	0.6
449.23880	7.7
449.29715	0.5
450.24588	1.1
466.75244	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93106	0.4
57.03333	0.6
59.01250	100.0
60.01590	1.3
69.95929	1.9
71.01253	8.3
71.04889	1.1
72.99186	4.6
73.02827	2.7
76.37042	0.4
82.46052	0.4
83.01274	0.8
85.02819	3.1
89.02325	1.9
95.01251	0.5
99.00755	0.7
101.02324	5.8
101.43990	0.4
113.02332	4.4
116.75089	0.4
119.03410	0.6
119.04923	0.5
123.04455	0.5
123.08058	0.5
133.90710	0.4
134.03667	1.3
135.04424	1.0
136.01572	0.3
137.09637	0.6
139.07532	0.8
143.03438	1.0
146.03648	3.3
146.27327	0.3
149.02386	1.4
149.06071	0.5
150.03075	1.8
151.03938	2.7
152.04723	0.7
153.09212	0.4
155.10707	3.6
159.02927	1.0
161.04472	8.0
161.06013	1.4
162.03139	2.6
163.03969	0.7
164.04695	2.3
165.05457	1.1
176.04913	0.5
177.05482	2.7
178.02620	3.9
178.03845	0.4
178.05826	0.3
179.03429	5.6
179.06995	3.1
180.04196	19.7
181.04681	0.8
193.04999	7.4
194.05649	1.2
195.06554	15.7
195.08347	0.8
196.06918	1.3
208.03749	0.5
210.05243	1.8
214.16924	0.4
214.63087	0.3
221.04533	5.2
222.40744	0.3
223.06090	3.5
225.07640	3.6
226.07979	0.7
227.16479	6.9
228.16872	0.4
239.05560	1.9
251.50882	0.4
253.08649	0.4
269.06674	4.5
270.07025	0.4
287.15012	1.3
342.11014	0.4
389.21823	7.2
390.22150	0.7
403.13965	1.1
431.13580	2.0
433.20914	0.4
449.14621	8.9
449.20236	0.5
450.14990	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	449.2305
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	0.7
61.98697	0.3
69.07921	0.3
70.29472	1.3
78.86109	0.3
78.95770	76.4
96.96838	6.3
98.20651	0.4
116.92744	1.0
117.01785	0.5
141.53009	0.3
150.97913	2.0
152.99481	100.0
153.99825	1.7
171.00551	2.6
195.13863	0.5
295.22607	0.7
329.71152	0.4
449.23065	22.0
450.23471	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2306
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	3.0
61.98684	0.6
62.37988	0.3
62.96269	0.4
65.38119	0.3
69.75567	1.4
78.23866	0.3
78.95770	55.5
90.49155	0.3
96.95872	0.5
96.96835	6.5
99.35857	0.3
103.66885	0.3
140.69519	0.3
150.97943	1.9
152.99483	100.0
153.99823	2.2
171.00562	4.7
188.91579	0.3
226.07362	0.4
277.21628	0.4
295.22879	0.5
449.23068	13.0
450.23499	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	449.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
54.35072	1.4
55.66157	1.4
58.91589	1.3
59.01234	4.1
68.03008	1.3
69.55978	9.0
71.01250	2.8
78.95787	2.6
85.36593	1.4
86.24854	1.6
93.03322	1.7
95.01250	2.1
95.04870	2.0
98.20625	2.6
99.00760	24.3
107.04944	2.2
107.08556	2.0
108.02034	2.7
109.02856	2.0
109.06422	1.6
111.00716	2.2
121.02879	7.3
121.06464	2.6
122.03695	3.6
123.00754	3.7
126.35164	1.6
127.00221	1.7
134.03654	1.8
135.04434	8.4
139.00206	2.1
145.02864	4.0
147.04425	11.4
149.02315	5.2
149.05977	2.6
149.09721	1.7
150.06746	1.9
156.00555	2.7
159.04378	3.3
161.02299	2.2
161.05952	11.0
161.09569	3.4
163.03920	7.2
163.11130	3.0
171.04434	2.5
173.02229	1.9
173.05948	5.2
174.06741	2.1
175.03880	4.0
175.07593	7.8
176.08246	3.8
177.05453	7.0
177.09065	2.0
178.06219	11.3
179.07014	1.6
185.05983	5.0
187.03870	1.8
187.07578	3.3
189.01836	4.2
189.09157	3.5
190.09824	3.8
191.03426	7.2
191.10608	2.9
199.04060	2.2
201.09114	3.2
203.03450	3.6
207.14038	1.6
211.04024	1.7
213.05429	2.4
215.03391	4.1
215.10686	2.6
216.11508	2.2
217.04922	3.4
218.09576	1.8
222.08649	1.8
229.15971	4.7
230.09320	1.9
230.13162	2.4
231.13878	2.1
248.06984	2.1
258.12805	1.6
276.13544	2.5
283.20627	9.5
297.18359	2.2
299.19977	4.2
305.21249	2.6
309.18631	4.6
313.18048	3.7
315.19629	11.6
317.17822	2.6
317.21188	6.9
325.18051	4.2
327.19666	22.1
328.19873	2.2
331.19116	13.9
332.12708	16.5
333.20770	16.8
334.20642	2.1
343.19147	7.8
344.12570	3.8
345.20688	74.8
346.21066	10.0
357.20624	5.0
359.18445	5.0
361.20053	13.4
362.13806	3.7
362.20264	2.1
369.20734	14.6
371.18600	100.0
372.18851	15.8
375.21591	4.2
383.18716	8.8
384.18903	3.6
385.19803	2.0
387.21811	13.9
388.22092	2.3
389.19711	28.3
390.19968	3.9
395.18570	10.3
396.18829	2.4
401.19632	34.5
402.19901	4.9
403.21371	3.3
405.22571	4.4
413.19675	34.3
414.20236	3.6
419.20636	3.9
431.20706	31.6
432.21112	4.7
449.14984	4.1
449.21732	72.6
450.22235	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	449.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01260	6.2
71.01241	1.2
71.08382	2.5
72.00841	1.2
95.01268	1.9
99.00758	5.5
105.03375	1.6
106.04091	1.4
107.08532	1.4
108.02032	3.2
109.02864	1.3
109.06481	2.8
117.03330	2.0
118.33294	1.1
121.02814	8.5
121.06450	1.8
122.03599	3.6
123.00799	3.0
132.18274	1.2
135.04382	6.2
137.02286	1.3
145.02870	6.7
147.04436	10.0
148.05171	2.3
149.02356	8.2
149.06007	3.5
149.09529	1.3
151.11180	1.7
159.04384	3.3
160.05272	1.5
161.02371	2.3
161.06006	10.9
161.09605	3.5
162.06679	1.3
163.03914	5.3
163.07581	3.1
163.11163	2.1
164.00975	1.4
165.12798	1.4
171.04385	1.9
172.05084	1.3
173.02353	1.4
173.05873	6.8
175.03845	1.9
175.07544	9.5
176.08257	3.8
177.01717	1.3
177.09085	2.8
177.12737	1.3
178.06226	4.6
179.10727	1.5
185.05997	3.9
187.03970	2.7
187.07565	5.7
188.08345	2.1
189.01820	5.1
189.05510	2.0
189.09116	4.7
190.09909	7.3
191.07030	1.6
191.10643	4.1
200.08308	1.8
201.05544	1.9
201.09148	3.7
202.10023	1.5
203.03464	3.1
203.10645	2.7
204.11455	1.3
213.05591	2.1
213.09207	3.1
215.03435	1.8
215.10820	2.6
217.05002	3.8
217.12173	1.4
218.09415	2.5
229.15956	6.2
231.13631	1.3
271.20599	1.6
276.13705	2.3
283.20569	9.4
294.26382	1.3
297.18628	1.7
299.20029	6.4
301.21448	1.8
309.18506	5.4
313.18170	2.0
315.19696	12.5
317.17484	3.6
317.21219	7.8
325.18121	5.4
327.16037	0.9
327.19620	24.2
328.19955	2.4
331.19107	9.5
332.12671	14.1
333.12814	2.4
333.20691	18.5
334.20758	1.6
343.19098	10.1
344.12598	4.7
345.20670	92.9
346.20990	12.1
351.19781	2.0
357.20685	3.0
359.18619	2.3
361.20135	17.7
362.13617	4.7
362.20737	1.8
369.20663	11.9
371.18597	100.0
372.18924	11.9
373.19846	1.6
375.21716	3.4
383.18643	7.2
385.20255	1.9
387.21692	15.2
388.21997	1.9
389.19675	21.2
390.19843	2.4
395.18484	9.0
401.19675	35.1
402.20026	4.2
403.21082	4.1
405.22705	5.4
413.19650	30.9
414.20105	3.0
431.20694	30.1
432.20990	4.1
449.21695	18.3
450.22119	2.5
463.36853	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
54.25535	1.1
58.12084	1.1
59.01248	10.5
65.03824	1.4
70.52407	4.9
78.95768	7.1
83.94116	1.3
93.03277	1.1
99.00752	1.9
107.04873	1.8
107.08493	1.6
108.02045	1.8
109.06495	1.7
117.06961	1.6
119.04915	1.9
121.02867	7.6
122.03634	3.2
123.00777	1.9
135.04391	6.1
136.01550	1.2
137.02267	1.5
145.02882	8.0
147.04417	13.0
147.07965	1.4
149.02296	6.1
149.05954	2.7
151.11128	1.6
152.99493	11.6
156.00471	1.6
159.04366	3.1
161.02316	2.3
161.06004	10.8
161.09622	1.5
163.03937	6.1
163.07590	2.7
163.11165	2.2
165.09059	2.0
171.04404	2.1
173.05949	6.4
174.06847	2.3
175.03947	3.7
175.07593	7.3
176.08301	3.1
177.05470	2.5
185.05937	2.3
187.03877	1.5
187.07574	5.6
188.08313	2.1
189.01840	2.2
189.09106	4.1
190.09921	5.7
191.10670	3.2
200.08395	2.1
201.09134	4.4
203.03334	3.1
203.10699	2.6
204.11438	2.0
213.05556	2.4
215.10657	3.0
217.04993	1.7
218.09492	1.4
229.08740	2.2
229.15820	4.1
230.12914	1.8
231.13910	2.2
243.13889	1.7
245.15248	1.4
272.17346	1.3
273.22192	1.5
283.20654	6.9
297.18607	3.0
298.56470	1.3
299.20139	4.8
301.21524	1.5
302.22314	1.5
309.18478	4.0
313.18115	1.6
315.19611	9.6
316.19907	1.7
317.17621	3.0
317.21094	7.5
325.18069	4.4
327.19647	21.3
328.20032	2.6
329.21045	2.4
331.19205	9.5
332.12646	12.4
333.20679	14.7
334.20886	2.0
343.19089	8.5
344.12524	5.1
345.20663	100.0
346.21027	12.3
351.19662	1.4
357.20740	3.7
359.18561	2.1
361.16092	1.5
361.20291	18.8
362.13599	3.3
362.20624	2.8
369.20709	11.7
371.18597	96.5
372.18777	11.9
375.21829	3.1
383.18558	7.4
387.21750	13.6
388.22028	2.7
389.19662	16.9
390.19827	2.3
395.18710	4.6
401.19641	36.5
402.19830	2.6
403.21103	5.0
405.22650	4.1
413.19714	28.2
414.19922	3.5
431.20700	28.0
432.21042	4.6
449.14929	2.5
449.21799	11.2
450.22256	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96684	1.9
51.57509	1.8
52.31662	1.8
55.01766	2.3
57.03338	2.8
59.01250	39.6
59.02230	2.0
59.08866	1.9
61.98701	14.2
67.01726	1.9
69.05284	1.8
71.01252	14.8
71.49995	3.2
78.95770	78.0
83.01248	9.4
85.02830	24.1
87.00748	39.3
96.96809	6.9
99.00763	17.2
101.02282	2.0
108.02035	3.5
111.00755	5.0
111.07994	3.0
112.98650	3.3
115.00256	32.8
116.92737	12.6
117.01809	2.1
121.02788	7.6
121.06461	3.2
129.01811	3.7
133.02838	2.9
134.13739	2.1
134.25075	2.0
135.04399	5.9
145.02780	5.0
146.97174	2.0
147.04369	8.4
149.02370	10.4
149.05969	4.0
152.99486	100.0
153.99825	4.0
154.99811	6.9
157.01329	19.6
159.04399	3.2
161.02390	3.1
161.05963	7.4
162.06641	2.3
163.03917	5.0
163.07552	2.3
163.11104	2.6
165.12773	11.3
167.10748	2.7
171.04459	3.3
173.06071	2.4
175.02446	17.5
175.03815	4.5
175.07558	6.9
177.05531	3.4
177.12823	3.6
178.06204	5.8
185.05965	3.6
187.07498	4.2
189.01733	2.3
189.09135	3.0
190.09848	6.7
191.03401	6.3
195.13762	2.7
203.03647	2.9
203.10602	3.1
213.05444	3.5
213.08908	2.1
215.10602	2.6
220.67216	2.1
229.15862	3.1
247.20576	4.6
273.18585	2.8
283.20679	7.4
291.19690	65.8
292.19897	5.1
293.21136	6.3
299.20032	4.4
309.18539	2.5
310.05151	2.2
315.19656	6.0
317.17694	2.8
317.21259	7.7
325.18118	3.8
327.04941	2.6
327.19714	21.7
328.05447	2.3
328.19888	3.3
330.70657	2.0
331.19031	11.3
332.12646	5.5
333.20728	13.1
343.19016	6.1
345.20685	69.9
345.24918	3.3
346.20984	7.4
347.22223	2.7
351.19458	2.7
353.17761	2.2
357.20551	3.5
359.06479	3.9
359.18582	5.3
361.20200	16.0
362.13004	2.1
362.20441	2.2
369.20679	7.8
371.13879	4.4
371.18607	85.0
372.18784	10.4
375.21628	2.9
383.18610	7.7
385.19742	3.1
387.21594	6.7
387.26657	2.1
389.19620	19.6
390.19846	3.4
395.18558	7.0
401.19620	17.3
403.21176	4.0
407.55185	2.0
413.19543	9.0
419.20795	2.9
431.20703	10.6
449.09558	6.2
449.21918	98.4
450.22421	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	449.1501
Annotation	Suvorexant
Peak:m/z	Relative Intensity
58.77353	0.9
59.01246	8.8
61.98687	2.0
62.96277	25.1
65.93831	0.8
67.07542	0.8
70.63138	1.9
71.01226	0.8
78.95775	74.2
80.97340	35.0
88.39586	1.0
99.00751	5.9
100.65100	0.8
101.94090	0.8
105.05037	0.8
112.99088	0.8
121.02859	1.1
126.04531	0.8
147.04451	1.7
149.00003	17.1
152.99495	11.5
156.00549	2.0
161.06024	1.3
177.05498	2.2
178.06259	2.0
179.01114	1.2
191.03319	1.1
205.15935	8.2
206.16301	1.1
217.04857	1.0
242.98244	4.0
283.20627	1.8
285.12680	2.8
287.20236	2.8
315.19769	1.4
327.19711	2.9
331.19290	1.4
332.12482	1.5
333.20682	1.3
345.20691	5.4
355.16745	18.2
356.17181	1.8
369.20847	2.1
371.18655	11.0
372.19077	1.2
383.18478	1.9
385.17816	23.1
386.18280	3.2
389.19659	7.4
395.18851	1.6
401.19733	2.0
413.19717	2.3
431.20886	2.6
432.65018	0.9
449.15048	100.0
449.21793	20.3
450.15436	11.5
450.21661	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1498
Annotation	Suvorexant
Peak:m/z	Relative Intensity
56.92251	0.4
59.01256	1.9
61.88964	0.4
62.96279	26.5
78.95774	58.6
80.97340	33.6
94.34375	0.4
103.19386	0.3
112.17749	0.4
127.01333	0.4
148.99995	14.9
150.00293	0.4
151.01602	0.6
176.36157	0.4
179.01027	1.9
205.15897	8.8
206.16209	0.8
242.98264	5.6
285.12494	1.8
299.56595	0.4
339.13712	0.5
355.16772	17.8
355.21191	0.9
356.17010	1.8
385.17850	21.1
386.18173	2.6
431.14059	0.6
449.14969	100.0
450.15320	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	449.1089
Annotation	(2R,3R)-3,5,7,3',5'-Pentahydroxyflavanone 3-rhamnoside
Peak:m/z	Relative Intensity
57.03323	2.6
59.01249	29.0
60.01596	0.9
61.98696	1.6
63.02253	1.1
64.99850	0.9
65.00191	15.3
66.00533	0.4
68.40569	0.3
68.99694	0.5
69.21067	1.6
69.21492	3.0
71.01249	5.0
72.99200	0.4
73.02812	1.3
75.00745	4.6
75.48516	0.4
81.03368	0.4
83.01253	7.6
85.02821	4.3
85.57780	0.4
87.00778	0.5
89.02310	4.4
93.03358	0.7
95.01270	1.1
96.95912	0.7
101.02321	3.1
107.01266	20.5
108.01573	0.7
109.02825	2.2
111.00758	1.2
112.32890	0.4
113.02319	1.4
117.03332	2.9
119.03360	1.9
121.02849	1.1
122.03591	0.4
123.04399	6.5
124.01573	2.9
125.02332	26.7
126.02693	0.6
129.01845	0.8
133.02805	2.6
135.04427	2.2
139.03757	0.4
147.04398	0.8
149.02351	3.1
150.03130	15.0
151.00270	100.0
151.03899	18.3
152.01073	11.9
152.04225	0.8
153.01854	2.1
153.09123	0.5
161.02388	1.3
161.04457	1.9
163.00198	0.5
167.03392	1.2
169.01318	2.5
171.04439	0.6
174.03180	0.6
175.03925	3.4
176.01073	1.0
177.01857	4.1
178.99774	16.4
179.05544	1.0
180.00053	0.8
187.03960	0.6
188.04666	0.5
189.05534	1.0
191.05444	0.5
192.00455	0.4
193.01357	2.0
193.04924	0.5
198.03079	0.6
199.03978	2.9
201.01857	0.7
205.03456	1.1
209.23067	0.4
213.05548	0.9
213.11336	0.5
215.03456	0.6
216.04161	0.6
217.04979	2.2
225.05458	0.5
227.16504	0.5
229.04909	0.6
241.05034	2.5
243.06665	1.5
249.69574	0.4
257.04581	1.2
259.06122	1.1
267.02887	0.6
269.04581	1.6
275.05695	0.9
284.03503	0.8
285.04016	48.0
286.04321	5.5
287.05408	1.2
287.18390	0.8
297.09869	4.4
298.04321	0.5
298.10190	0.5
299.04849	0.5
301.05936	0.6
302.04361	2.5
303.05069	18.6
304.05481	1.4
313.03384	0.4
315.04041	0.6
323.07690	1.8
328.05679	0.7
329.05667	1.4
359.06909	0.6
389.21909	3.4
390.22217	0.5
397.24500	0.7
431.09381	1.1
449.10590	11.3
449.23639	6.7
450.11270	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	448.2549
Annotation	Unknow
Peak:m/z	Relative Intensity
57.20652	1.2
59.01256	6.9
61.98698	100.0
69.79104	2.1
69.79514	4.6
73.02805	1.2
77.61504	1.1
78.95772	50.4
96.96823	4.0
97.46458	1.0
99.92433	2.4
115.00327	1.5
116.12225	1.1
116.92731	4.9
121.02834	1.0
133.02832	2.3
137.96663	1.1
148.79865	1.0
150.97906	1.1
152.99484	47.8
153.99797	5.1
163.00233	1.2
171.00529	1.6
285.03806	2.3
286.04388	3.2
291.19559	1.2
298.04489	2.7
299.05115	2.5
300.05893	2.7
327.04932	3.6
328.05423	11.4
331.19006	1.3
358.06479	7.5
430.09109	1.6
448.09506	6.7
448.21747	6.2
449.10147	1.7
449.22653	8.0
453.32758	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	448.2549
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	7.0
61.98701	100.0
63.97374	1.2
70.36649	4.1
70.37012	1.4
78.95770	67.8
83.54841	1.2
88.29246	1.2
96.96835	3.3
116.92731	2.6
117.01813	1.3
135.39488	1.1
139.48045	1.3
142.83568	1.1
143.73999	1.1
144.59694	1.2
150.97908	2.1
152.99487	91.4
153.99820	5.0
171.00571	3.6
191.73058	1.2
296.07101	1.6
298.04373	1.8
299.05292	1.7
300.06076	2.3
312.22739	1.4
312.75085	1.3
327.05054	2.1
328.05435	8.4
345.20782	1.8
358.06473	5.8
448.09543	5.7
448.21765	12.3
449.22943	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	448.1824
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	86.1
59.84977	0.5
60.01586	5.3
61.01680	1.0
61.98701	100.0
70.66608	2.0
71.01254	7.5
72.99165	1.0
73.02820	1.1
81.40224	0.6
83.01279	1.2
85.02811	3.0
89.02309	5.7
97.02851	0.8
101.02329	5.5
102.97910	0.6
109.02908	0.7
113.02341	3.1
119.03371	2.6
122.47707	0.6
123.08086	0.8
125.02330	2.9
129.05476	1.4
129.06627	0.7
137.09641	0.8
144.07683	0.9
151.00212	1.7
155.10684	6.6
159.02861	1.1
161.04428	3.7
167.03300	0.9
179.05426	2.1
180.05788	0.9
186.08713	0.9
195.06596	0.7
199.09727	3.9
243.06549	1.6
249.15260	0.7
258.35178	0.8
259.05957	2.1
269.04410	2.4
287.05405	2.3
311.18594	1.2
327.04910	1.0
328.05136	1.6
329.06055	0.7
358.06311	1.0
361.14725	2.7
388.20374	1.1
389.21786	3.0
448.09006	1.5
448.18417	4.8
449.11026	3.1
449.16092	1.9
449.48364	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1824
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	86.1
59.84977	0.5
60.01586	5.3
61.01680	1.0
61.98701	100.0
70.66608	2.0
71.01254	7.5
72.99165	1.0
73.02820	1.1
81.40224	0.6
83.01279	1.2
85.02811	3.0
89.02309	5.7
97.02851	0.8
101.02329	5.5
102.97910	0.6
109.02908	0.7
113.02341	3.1
119.03371	2.6
122.47707	0.6
123.08086	0.8
125.02330	2.9
129.05476	1.4
129.06627	0.7
137.09641	0.8
144.07683	0.9
151.00212	1.7
155.10684	6.6
159.02861	1.1
161.04428	3.7
167.03300	0.9
179.05426	2.1
180.05788	0.9
186.08713	0.9
195.06596	0.7
199.09727	3.9
243.06549	1.6
249.15260	0.7
258.35178	0.8
259.05957	2.1
269.04410	2.4
287.05405	2.3
311.18594	1.2
327.04910	1.0
328.05136	1.6
329.06055	0.7
358.06311	1.0
361.14725	2.7
388.20374	1.1
389.21786	3.0
448.09006	1.5
448.18417	4.8
449.11026	3.1
449.16092	1.9
449.48364	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.348
Annotation	Irisoquin E
Peak:m/z	Relative Intensity
53.46161	0.4
59.01248	4.7
71.01223	0.6
71.20213	0.7
79.01786	0.5
89.02356	0.5
92.69598	0.4
101.02325	0.6
107.04897	0.7
117.99831	0.5
119.04907	0.7
121.02847	0.4
121.06467	7.2
136.05219	5.4
145.02858	5.9
146.94363	0.5
149.05981	100.0
150.06313	4.5
157.06494	0.9
161.02452	0.4
162.06754	0.6
163.07573	1.3
175.07559	0.8
187.07593	1.5
189.01843	0.7
209.09601	0.5
226.06233	0.5
231.06583	3.6
241.05116	2.5
242.05843	1.1
255.06636	1.8
265.12317	1.0
267.06598	3.4
279.23318	0.7
285.03989	0.7
297.04337	0.9
298.04584	0.8
299.05597	1.3
307.75586	0.5
309.11304	30.9
310.11636	2.8
327.05048	2.9
357.06073	2.4
427.31613	0.6
432.32306	2.7
447.09586	1.1
447.25375	32.2
447.34793	55.6
448.25754	5.3
448.35031	9.8
459.24319	0.5
469.86420	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2751
Annotation	Xenortide B
Peak:m/z	Relative Intensity
57.03315	2.3
59.01240	0.8
61.87334	0.5
65.68861	0.5
65.79551	0.6
70.99289	1.1
82.10754	0.4
85.06474	0.7
98.23544	0.6
111.04387	3.2
111.08032	0.8
123.04395	1.2
123.08024	0.9
136.88998	0.6
146.33072	0.6
151.03940	4.2
151.07585	0.7
165.05505	1.1
177.09146	0.9
180.04218	0.9
191.10770	1.4
193.08641	1.1
203.06993	3.2
207.06578	5.9
208.07315	5.3
209.08173	3.0
221.08141	63.4
222.08704	8.4
233.15608	0.7
235.09727	15.6
235.17032	2.1
236.10101	0.9
263.13019	1.2
279.23230	1.2
287.20285	0.8
299.05640	0.6
301.14471	3.2
308.16135	1.1
319.15491	15.1
320.16052	1.8
321.17078	10.7
322.17383	0.9
327.05008	1.7
335.18622	1.1
345.16879	0.8
357.06366	1.0
363.17975	0.6
378.20465	6.2
379.20892	1.3
403.28384	0.7
447.27509	100.0
448.27835	17.4
453.46582	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2749
Annotation	Unknow
Peak:m/z	Relative Intensity
53.57494	0.4
57.03309	1.1
70.89448	0.4
70.89796	0.8
71.08227	0.3
85.06459	0.4
97.06452	0.4
99.71411	0.4
111.04391	3.6
111.08049	0.5
123.04424	0.9
151.03902	7.8
165.09106	0.5
165.12735	0.4
165.79393	0.4
177.01825	0.8
177.09117	1.2
179.03453	1.0
180.04172	1.0
193.08643	1.8
200.78751	0.3
203.07083	3.4
207.06537	4.7
208.07343	2.2
209.08125	2.4
219.81596	0.4
221.08127	100.0
222.08650	10.8
223.09412	0.4
235.09660	2.2
235.17027	0.4
249.11192	0.5
262.04874	0.3
279.23273	2.3
280.23929	0.4
287.20410	0.6
308.15933	0.5
319.15405	6.9
320.16013	0.7
321.17010	1.0
361.20267	0.8
377.19553	0.9
378.20480	4.3
400.62851	0.4
436.89264	0.4
447.27484	75.9
448.27844	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	447.2747
Annotation	Xenortide B
Peak:m/z	Relative Intensity
57.03284	0.7
59.01244	2.1
64.03442	0.5
64.60099	0.5
71.04873	0.5
78.95773	11.3
83.04868	0.5
84.58967	0.4
85.06434	0.6
96.11646	0.5
96.79994	0.4
104.97344	0.7
107.04864	0.5
110.98409	7.5
111.04399	4.1
123.04351	1.5
123.07994	0.7
139.03862	0.7
151.03914	7.3
152.99458	2.6
165.05473	0.6
166.02574	0.8
167.01045	8.8
177.01837	1.0
177.09105	0.9
180.04112	0.6
185.02078	2.2
193.04926	0.8
193.08624	1.8
203.07066	3.8
207.06560	5.0
208.07257	4.5
208.97499	1.1
209.08115	2.5
221.08133	100.0
222.08609	8.7
225.00647	1.9
229.18457	0.7
233.08163	0.8
235.09753	3.1
235.16983	1.3
249.11226	0.7
279.23273	66.0
280.23605	7.1
287.20200	0.9
297.04126	0.6
298.04727	0.6
299.05273	0.7
301.14572	0.9
319.15509	11.6
320.15860	0.8
327.05042	2.3
357.06335	1.5
361.20062	0.7
377.19681	0.6
378.20471	3.8
389.64847	0.4
403.28381	0.5
447.09537	1.4
447.27563	94.1
448.27872	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	447.2514
Annotation	Unknow
Peak:m/z	Relative Intensity
56.93327	0.3
59.01249	4.7
71.01241	0.4
78.95774	11.6
78.96223	0.7
80.45596	0.4
89.02279	0.5
98.19732	0.7
99.86267	0.4
101.02351	0.5
104.97331	0.5
110.98415	7.9
115.69269	0.4
128.11311	0.4
133.01958	0.4
133.02847	0.9
133.57564	0.4
152.99513	1.1
167.01070	8.9
185.02115	3.2
221.08073	0.5
255.03009	0.6
279.23279	100.0
280.23627	11.6
284.03180	0.6
285.03885	0.7
297.04132	1.1
298.04758	1.1
299.05548	0.6
327.05008	3.5
357.06183	2.3
366.39468	0.5
447.09250	1.9
447.25131	13.4
448.25601	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2538
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46467	0.6
58.43175	0.6
59.01254	6.5
70.80079	1.6
72.37076	0.6
79.01778	2.0
79.05405	1.9
85.02857	0.7
101.03802	0.7
107.04919	1.5
113.02287	0.6
119.04926	2.5
119.08584	1.2
121.02860	1.2
121.06490	8.3
131.04941	0.8
133.02835	1.6
135.04436	0.9
136.05190	5.3
145.02850	15.5
146.03152	1.1
149.05983	100.0
150.06311	4.3
157.06503	2.2
162.06766	1.8
163.07526	3.5
175.03865	0.9
175.07465	1.0
182.55072	0.7
187.07591	3.9
189.01866	1.1
189.05502	0.9
203.07005	1.0
213.05594	1.2
220.55687	0.6
231.06561	7.1
232.07007	0.8
241.05002	4.3
242.05792	2.4
255.06715	3.1
265.12296	1.6
267.06595	7.0
268.06989	1.1
279.23270	1.2
281.11734	1.0
284.03174	0.9
285.04114	1.4
295.09909	1.1
297.03952	2.0
298.04745	1.6
299.05591	1.3
309.11310	64.6
310.11676	7.4
327.05167	5.0
328.05338	0.9
339.04913	0.8
345.36139	0.8
357.06140	4.2
358.06415	0.7
378.18250	1.1
382.68158	0.7
387.20087	0.9
403.26285	1.4
432.32288	3.9
447.09250	2.9
447.25378	51.9
447.34793	54.7
448.25708	10.6
448.34988	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	447.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
57.58735	0.8
59.01255	100.0
60.01610	1.1
68.52658	0.6
69.04051	0.7
71.01254	13.0
71.01617	0.9
71.49966	0.8
72.99180	0.8
73.02820	1.1
83.01283	0.7
85.02843	4.2
87.00761	1.4
89.02330	16.2
95.44983	0.8
101.02319	7.9
101.02815	0.7
113.02348	4.0
119.03406	5.9
121.02930	0.9
123.04475	1.2
143.03398	1.2
161.04459	3.6
179.05550	8.0
225.14944	1.0
297.04138	1.0
327.05157	1.6
357.06274	1.0
387.20532	1.7
398.97281	0.6
436.74576	0.9
447.09900	0.9
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	Unknow
Peak:m/z	Relative Intensity
55.01779	0.6
56.56684	0.5
59.01245	100.0
59.14645	0.5
60.01577	1.2
61.98695	7.1
69.16036	0.6
69.16386	6.4
71.01250	10.9
71.01625	0.9
72.99178	1.1
73.02808	1.8
75.00680	0.5
83.01263	1.1
84.33709	0.4
85.02839	2.9
87.00743	1.0
88.20123	0.5
89.02313	13.3
95.01234	0.7
99.00831	0.5
101.02321	6.8
101.37891	0.5
109.02842	1.8
113.02314	4.9
119.03377	5.8
121.02831	1.5
125.02316	1.3
131.03391	0.7
133.02821	6.7
134.03561	0.7
135.04407	1.5
137.02318	0.6
142.07802	0.5
143.03412	2.0
149.02438	1.5
149.04434	1.0
150.03087	1.5
151.00264	0.7
154.01357	1.1
161.02350	0.7
161.04474	4.1
163.00282	1.3
163.03920	1.3
165.01837	1.5
165.05475	1.3
175.03960	1.5
177.01791	0.6
178.02679	0.7
179.05507	6.7
191.03368	0.8
193.05011	0.7
195.06502	0.7
197.05994	0.8
199.03879	0.7
201.01845	0.8
216.15720	0.5
224.95691	0.6
225.05531	0.7
225.14857	0.7
240.04228	0.6
253.05026	1.0
269.04614	0.6
284.03088	2.6
285.03949	5.5
286.04636	0.7
297.04074	8.5
298.04767	6.4
299.05576	12.5
299.34750	0.6
300.06030	1.2
309.04236	0.9
311.05524	3.4
327.05084	36.4
328.05499	3.5
339.05054	3.5
341.24139	0.6
357.06116	17.9
358.06482	2.2
369.06241	0.6
387.20279	2.8
429.08203	2.8
430.08328	0.8
447.09271	26.3
448.09674	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	447.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03329	0.3
58.00450	0.3
59.01247	100.0
60.01580	1.2
61.18770	0.3
61.98701	6.5
69.72145	1.9
69.83926	0.3
71.01250	8.4
72.99179	1.0
73.02810	0.7
75.00754	0.5
83.01257	0.4
83.29857	0.3
85.02829	1.2
87.00752	0.5
89.02312	15.0
90.02660	0.4
93.49424	0.3
95.01283	0.5
98.19836	0.3
98.68657	0.3
101.02319	5.3
109.02836	0.4
113.02327	4.0
119.02074	0.3
119.03381	6.7
121.02867	0.4
125.02348	0.6
131.03406	0.9
133.02831	2.1
135.04422	0.4
137.02344	0.6
143.03377	1.5
149.04446	0.8
161.02341	0.5
161.04466	2.0
163.00281	0.4
164.00821	0.3
165.01816	0.5
175.03889	0.5
179.05522	5.3
199.03928	0.7
211.13364	1.9
212.04561	0.3
227.03444	1.1
241.07295	0.8
242.59192	0.3
253.05122	0.4
255.02988	1.2
256.03351	0.5
284.03275	2.7
285.03976	5.0
286.04517	0.5
297.04083	2.8
298.04791	2.7
299.05563	4.2
311.05600	0.9
313.03433	0.4
315.01605	0.5
325.03696	0.3
327.05063	14.5
328.05423	1.6
339.05234	1.4
343.04422	0.7
357.06125	8.7
358.06506	1.0
369.06375	0.7
387.07303	0.5
387.20270	1.0
429.08191	1.2
440.43140	0.4
447.09311	12.4
447.22629	3.8
448.09918	2.2
448.22971	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	100.0
60.01596	1.5
61.98685	0.7
69.22582	1.9
69.23011	3.1
71.01254	4.9
73.02821	1.1
85.02837	1.6
86.24244	0.5
89.02326	2.8
101.02325	2.7
109.22478	0.4
113.02354	1.9
119.03439	0.8
123.08077	1.4
137.09528	0.8
161.04459	2.9
163.11174	1.2
179.05560	1.0
189.12813	1.9
207.13805	3.4
225.14949	1.8
294.99033	0.5
327.05237	0.5
387.20355	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	447.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
54.27065	0.2
55.01717	0.2
59.01247	10.1
59.65564	0.3
61.80760	0.2
61.98692	0.4
67.99027	0.2
69.03323	0.5
69.22607	1.6
69.23033	0.7
69.57269	0.2
71.01253	4.4
73.02796	1.0
83.01257	0.6
83.04884	0.3
85.02823	1.1
86.71209	0.2
87.00732	0.6
89.02312	4.1
91.03890	0.2
91.73440	0.2
93.33107	0.2
95.01273	0.5
95.03220	0.2
97.06490	0.2
98.20624	0.4
101.02313	4.6
102.33231	0.2
106.06024	0.2
113.02309	1.6
119.03387	1.7
131.03377	0.3
133.02834	0.4
143.03349	0.5
161.04427	2.2
165.12778	0.4
167.14246	0.4
179.05527	0.6
180.77307	0.2
183.13828	6.5
184.14182	0.4
193.12280	1.8
211.13330	100.0
212.13654	7.2
225.14903	0.3
230.17609	0.2
235.08141	0.4
253.09254	15.4
254.09546	0.7
259.47781	0.2
284.03186	0.4
285.04010	0.7
297.04028	0.5
298.04797	0.3
299.05722	0.5
311.05609	0.3
311.09027	0.4
327.04974	2.1
345.19528	0.4
357.06058	1.4
387.20227	0.3
447.09314	1.1
447.22250	0.7
448.09741	0.3
448.22684	0.2
471.34674	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01721	0.7
55.73927	0.3
57.03300	0.7
59.00958	0.7
59.01250	12.6
61.98699	0.4
69.03315	0.7
70.42200	1.4
71.00852	0.5
71.01254	10.7
72.99163	0.7
73.02803	2.7
81.03329	0.4
83.01251	1.5
83.04883	0.3
85.02819	3.2
85.14195	0.3
87.00751	0.7
89.02312	7.5
95.01282	0.4
97.02823	0.5
99.00758	0.9
101.02322	7.2
109.34577	0.3
111.00777	0.6
113.02329	3.4
119.03365	1.0
125.02332	0.8
131.03400	1.9
133.02766	0.5
140.54073	0.3
143.03339	0.8
149.04433	0.8
159.02863	0.4
161.04445	4.0
167.14424	0.5
172.29234	0.4
179.05629	0.5
183.13834	7.1
191.05511	0.4
193.12286	1.8
200.10054	0.3
211.13327	100.0
212.13657	6.6
235.08194	0.6
253.09264	12.8
254.09656	0.8
285.03934	0.7
297.03989	0.6
298.04770	0.6
299.05563	1.0
315.18155	1.9
327.05038	2.5
328.05466	0.5
339.95236	0.3
357.06284	1.6
387.20248	0.4
447.09256	1.9
447.22150	4.9
447.27182	0.4
448.22745	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01744	0.3
57.03315	0.3
58.00456	0.3
59.01250	4.9
61.98661	0.1
69.03321	0.2
71.01251	2.9
72.99171	0.2
73.02811	0.6
77.52200	0.1
83.01260	0.5
83.04882	0.2
85.02821	1.0
87.00733	0.3
89.02320	3.0
93.03316	0.1
95.01261	0.3
97.02797	0.2
98.19756	0.2
99.00622	0.1
101.02327	3.0
102.02711	0.1
109.02839	0.2
113.02322	1.4
119.03397	0.8
119.04858	0.2
121.02875	0.1
125.02320	0.2
126.45061	0.1
129.01776	0.1
131.03342	0.1
133.02823	1.0
135.04408	0.1
143.03406	0.3
145.02855	0.2
149.04390	0.1
155.10657	0.2
161.02426	0.1
161.04457	1.2
162.04849	0.1
163.00278	0.1
163.03897	0.2
164.69391	0.1
165.01755	0.1
165.12746	0.3
167.10724	0.3
167.13123	0.1
167.14322	0.6
175.03877	0.4
179.05536	0.4
181.12294	0.1
183.13832	6.4
184.14172	0.3
187.06079	0.1
193.01233	0.1
193.12288	1.6
199.03941	0.1
211.13338	100.0
212.13667	6.7
225.05527	0.1
225.14963	0.2
235.08330	0.7
243.03081	0.1
253.09270	13.1
254.09529	0.6
284.03290	0.6
285.04053	1.3
286.04459	0.1
297.04010	1.5
298.04791	1.1
299.05594	1.8
311.05554	0.3
325.03564	0.2
327.05087	6.0
328.05521	0.7
339.05161	0.7
340.05283	0.1
357.06137	3.2
358.06607	0.4
369.05939	0.2
387.07498	0.2
429.08417	0.5
447.09344	3.5
447.21915	1.0
448.09814	0.7
448.23187	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1871
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	100.0
69.03319	60.7
69.99757	12.7
70.00146	8.8
71.01252	45.5
72.99179	5.9
73.02811	7.6
79.01746	5.6
83.01264	5.5
84.32780	5.3
85.02802	12.3
89.02321	13.3
95.01250	9.8
97.02827	41.3
101.02327	24.6
107.01267	36.5
108.02035	10.2
109.02832	7.9
112.90792	4.4
113.02309	11.4
114.34583	4.7
119.03386	7.7
121.02806	8.1
123.00775	10.2
125.02328	88.3
133.02849	10.1
137.02281	6.9
143.00920	4.7
151.00255	79.1
153.01787	16.5
161.82951	4.6
177.01878	7.4
181.12125	5.8
197.05963	9.8
199.13318	13.3
211.13336	41.7
212.13606	4.4
218.00706	4.6
242.05780	82.6
243.06569	45.9
279.05014	7.1
285.04077	12.7
297.03824	6.6
299.05371	13.4
327.05023	33.2
328.05359	8.4
343.17398	7.5
357.06015	15.2
361.18704	21.9
403.19681	58.3
404.19714	6.7
447.09283	18.6
447.26242	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	447.1341
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	0.7
62.96280	1.2
70.98592	1.0
72.27052	0.5
78.95775	37.7
96.96851	2.0
100.86313	0.3
148.99988	18.4
150.26173	0.4
152.99471	1.2
158.92448	1.5
167.37210	0.4
179.01064	3.2
205.15948	1.4
347.07980	0.6
391.42609	0.7
417.12369	1.4
431.10266	2.7
432.10989	0.5
447.13425	100.0
448.13824	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	447.1293
Annotation	Siebolside A
Peak:m/z	Relative Intensity
59.01248	17.6
61.98698	13.9
69.03320	73.0
70.03667	1.3
71.01251	2.1
78.95750	1.8
79.01740	9.8
81.03321	3.7
82.84887	1.1
83.01245	1.0
85.02816	4.0
89.02317	2.2
91.45715	1.2
94.75217	1.0
95.01257	9.2
96.95892	8.6
96.96823	1.7
97.02821	44.0
98.03134	1.2
98.19842	3.6
102.71231	1.0
107.01260	34.1
108.02066	10.8
109.02824	3.0
113.02317	1.9
121.02815	3.9
123.00752	16.0
125.02328	100.0
126.02641	3.8
127.02538	1.1
133.02859	2.4
135.00772	43.2
136.01468	3.5
137.02310	2.3
149.02335	3.2
151.00262	70.4
152.01076	21.6
153.01791	4.9
154.18352	1.1
161.04443	1.3
163.03889	5.1
165.01765	1.3
177.01826	11.0
191.03429	1.2
197.06055	1.4
198.06581	1.2
202.28250	1.2
215.06831	1.1
225.05496	1.9
229.43527	1.2
242.05794	87.4
243.06529	50.6
244.06966	3.9
267.06787	1.0
284.03259	1.4
285.04004	2.9
285.07587	2.8
297.03964	1.5
297.21545	1.1
299.05560	2.8
327.05112	9.8
339.07208	3.7
357.05994	5.2
387.10980	1.6
387.20178	1.4
447.13202	29.1
448.13257	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	447.1294
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01484	1.2
53.45735	1.3
58.52126	1.3
59.01253	22.5
61.98678	1.7
68.99699	1.5
69.03324	66.5
70.03671	1.9
71.01257	5.3
71.46699	2.5
75.39384	1.2
79.01756	11.4
81.03329	4.1
82.98350	1.3
85.02827	4.5
86.49715	1.2
89.02319	1.5
95.01260	7.9
97.02831	41.0
101.02327	3.5
107.01260	31.8
107.01974	2.7
108.02057	12.2
109.02846	8.0
113.02290	1.7
121.02816	8.5
123.00768	16.4
125.02335	97.3
126.02688	3.0
133.02856	3.5
135.00745	1.7
135.04388	2.4
136.01566	5.3
137.02345	7.8
149.02359	4.4
151.00275	72.1
152.00929	4.7
153.01826	16.5
154.02151	1.3
163.03896	8.0
165.01813	1.4
177.01846	11.3
197.06042	5.7
211.13339	16.2
215.07088	2.6
242.05801	100.0
243.06538	61.5
244.06888	5.1
253.09335	1.6
279.05096	6.1
284.57510	1.6
285.04370	2.2
285.07663	5.0
297.06219	8.8
298.04666	1.6
299.05612	3.5
300.06036	1.5
315.43835	1.4
327.05093	11.1
327.08621	2.4
339.07379	10.0
357.05988	4.1
357.09927	2.1
395.73489	1.2
429.08383	1.7
447.08490	3.4
447.14133	7.8
447.26108	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1297
Annotation	Unknow
Peak:m/z	Relative Intensity
56.88284	0.4
59.01254	7.8
61.98701	0.9
63.50889	0.4
65.00184	0.7
69.80048	2.3
71.01251	1.3
76.23335	0.4
80.02546	0.6
85.02810	1.3
89.02279	0.6
91.01771	14.6
92.02105	0.5
95.01241	1.0
101.02310	0.7
103.59250	0.4
107.18307	0.4
108.02052	19.8
109.02872	3.6
110.59673	0.4
111.00832	0.6
113.02331	0.6
121.02834	0.8
123.00771	5.9
124.01520	0.5
133.02794	0.9
135.00775	14.0
136.01147	0.8
137.02338	3.9
152.01051	17.5
153.01418	0.5
197.06076	1.3
205.03490	0.5
213.05530	1.3
215.07053	0.9
225.14877	0.9
243.06592	100.0
244.06912	9.0
285.04004	1.0
285.20706	0.9
298.04755	0.7
299.05533	1.4
327.05164	3.5
328.05728	0.7
346.89792	0.4
357.06073	1.6
387.10687	0.8
387.20306	0.7
413.12363	0.4
430.09631	0.4
447.13953	2.6
447.26318	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	447.1295
Annotation	Siebolside A
Peak:m/z	Relative Intensity
50.23566	1.4
52.35420	1.5
55.25595	1.4
57.14165	1.3
59.01248	25.4
61.01725	1.4
61.98700	1.6
69.03327	57.6
69.19717	1.5
69.96910	3.2
69.97303	3.2
71.01240	6.5
73.02837	2.0
78.46013	1.7
79.01740	9.7
81.03306	3.0
83.01260	1.8
85.02816	3.0
89.02307	4.7
95.01260	7.6
97.02827	36.2
98.19806	2.4
101.02327	6.1
107.01266	33.3
108.02065	12.6
109.02846	8.9
113.02341	4.1
121.02834	6.2
123.00775	12.4
125.02330	87.2
126.02677	2.1
133.02855	4.2
135.00754	2.5
136.01570	3.8
136.29697	1.4
137.02295	6.6
149.02321	4.5
150.03079	2.0
151.00272	66.9
151.03874	2.2
152.00887	4.6
153.01842	16.5
161.02258	2.0
161.04494	2.2
163.00389	1.7
163.03902	6.7
170.82480	1.4
177.01814	10.2
178.02274	1.6
197.06047	6.7
211.13344	22.1
237.62410	1.7
242.05801	100.0
243.06548	62.2
244.06905	4.7
253.09340	1.7
253.53647	1.4
257.93472	1.5
279.05170	8.3
285.04190	3.1
285.07629	5.6
297.06378	9.3
298.04932	2.1
299.05582	6.2
306.96689	1.5
327.05051	16.3
327.08582	3.2
339.07510	8.1
357.06079	6.2
357.09851	1.6
387.20380	1.7
389.13071	1.6
403.19745	2.2
429.07813	2.1
440.46481	1.6
447.08817	6.2
447.13242	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	447.093
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	16.8
65.00189	1.1
71.01234	3.2
71.27479	1.2
71.27818	1.8
75.00739	1.0
79.01766	1.9
83.01207	1.3
85.02802	1.3
89.02317	2.2
93.03316	3.8
97.02765	1.1
98.20071	1.6
101.02279	2.6
107.01247	1.6
108.02016	2.1
108.22675	1.0
109.02811	4.7
117.03329	3.7
119.04905	1.4
121.02809	3.2
123.00766	1.3
125.02285	4.1
133.02832	6.8
135.04407	1.5
137.02357	5.1
149.02322	2.2
151.00232	3.0
151.03902	2.1
161.02347	3.3
163.00232	3.0
163.03899	1.0
164.01064	1.0
165.01852	10.8
171.04370	1.3
177.01846	3.7
179.03387	3.8
187.03828	1.4
193.01329	3.0
199.03891	1.7
199.07550	1.4
201.01767	1.2
205.01236	1.4
206.02136	1.3
207.02937	6.4
209.06035	1.7
211.07593	1.6
211.13327	1.5
225.05588	2.2
226.06367	1.3
227.06999	4.0
239.03387	2.4
240.04120	2.1
241.05046	3.1
242.05615	1.3
253.04988	2.7
255.02914	3.6
255.06534	3.4
269.04468	6.2
271.06064	1.2
281.04422	3.5
282.05273	4.6
283.02609	1.6
283.06076	2.8
284.03223	21.4
285.03979	19.4
286.04193	1.4
297.04044	14.8
298.04752	11.0
299.05582	20.4
300.05875	2.2
309.03922	2.0
311.05536	6.5
327.05069	100.0
328.05386	8.4
330.03766	1.4
339.05167	7.6
341.06558	1.9
343.04263	1.6
357.06143	36.4
358.06348	4.1
369.06097	3.1
387.07101	1.2
429.08316	3.9
447.09238	84.3
448.09552	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	447.093
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	2.4
61.50565	0.6
65.00172	0.7
67.72401	0.5
69.56166	3.0
69.56573	0.8
71.01263	0.9
77.03844	1.0
79.01777	0.9
83.01250	0.7
93.03349	0.6
97.02829	0.9
99.96126	0.6
104.20012	0.5
104.47995	0.6
105.03345	0.8
107.01268	1.4
109.02843	3.0
119.04917	1.3
121.02841	2.7
125.02318	1.6
133.02844	19.0
134.03609	1.0
135.00795	0.8
135.04422	1.7
137.02319	0.7
145.02782	0.7
147.04391	0.8
149.02341	2.3
151.00269	1.1
151.03835	0.6
161.02405	1.5
163.00333	3.3
163.03934	3.1
165.01886	3.0
175.03889	3.3
191.03387	2.2
193.01295	1.6
199.03969	2.0
200.04700	0.7
201.01897	2.3
211.03934	1.0
213.05482	1.4
215.03320	0.9
225.05547	1.7
227.03465	1.0
241.05038	1.4
253.04852	1.2
255.02899	1.7
255.06644	0.8
269.04459	1.5
284.03250	9.5
285.03995	8.1
286.04321	0.7
297.04044	14.9
298.04749	10.8
299.05588	20.5
300.05844	1.4
309.04019	1.6
311.05585	3.6
325.03415	1.1
327.05072	100.0
328.05417	10.5
332.44293	0.8
339.05081	3.7
340.05396	0.6
341.07034	1.0
357.06140	32.8
358.06451	3.6
361.26208	0.6
364.61206	0.7
369.06122	1.8
385.38126	0.7
393.06110	1.7
447.09265	27.0
448.09570	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	447.0931
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	6.3
65.00199	1.3
69.49288	7.0
69.49703	1.4
71.01250	1.7
73.02784	1.0
82.07802	0.9
83.01259	1.0
89.02290	1.8
101.02306	1.3
107.01241	1.2
109.02822	3.6
114.70167	0.8
121.02825	2.1
125.02321	1.8
133.02835	24.7
134.03629	1.7
135.04396	2.1
136.01576	1.3
137.02353	1.3
149.02417	1.4
151.00253	2.8
161.02313	5.6
163.00294	6.9
163.03909	3.5
165.01830	3.3
175.03917	4.0
177.01836	1.7
189.98918	1.0
191.03488	1.8
193.01430	1.9
199.03894	3.3
201.01833	3.6
201.05551	1.2
201.87277	1.0
209.06206	1.1
209.62370	0.9
211.03938	1.8
211.13324	2.8
213.05588	1.4
224.04790	1.1
225.05489	3.0
225.68315	0.9
227.03441	2.1
239.03694	1.0
240.04222	1.5
241.05028	3.0
253.04994	4.1
255.02887	4.1
255.06702	1.1
269.04468	3.9
270.05099	1.5
271.02695	1.2
281.04590	1.4
284.03247	10.3
285.04016	30.1
286.04428	2.9
297.04028	56.1
298.04779	67.9
299.05493	25.2
300.02759	2.9
300.05923	1.5
309.03903	2.0
311.05609	13.9
312.05728	2.0
313.03412	6.1
324.02737	14.0
325.03482	22.9
326.04083	7.5
327.05066	100.0
328.05441	10.9
330.03754	2.7
337.03537	4.4
337.07138	1.0
339.05148	11.8
340.05389	1.2
343.04599	6.7
355.04587	1.4
355.08661	1.3
357.06122	40.3
358.06467	3.6
365.06610	1.8
385.05569	1.0
393.06247	2.2
408.91183	0.9
411.07230	15.4
412.07373	2.3
429.08258	24.3
430.08521	3.1
447.09286	44.9
448.09680	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.0929
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46776	0.9
55.68833	0.9
59.01246	7.5
65.00172	2.7
68.09755	0.9
70.37584	2.1
70.37952	1.9
71.01268	1.8
74.18246	0.8
79.01755	2.3
81.03307	1.4
81.75098	0.8
83.01257	1.7
85.02810	1.2
85.28117	0.8
93.03349	2.4
95.01261	1.5
97.02813	1.7
101.16554	1.0
102.20131	0.9
107.01263	1.4
109.02828	7.7
111.00748	2.2
121.02844	4.2
122.03555	1.0
123.00766	2.2
123.04365	2.1
124.45592	1.1
125.02323	6.8
133.02844	9.2
135.04425	3.4
136.98627	2.5
137.02362	7.3
147.04448	1.5
148.01556	1.6
148.47566	1.0
149.02342	13.5
150.03140	1.3
151.00302	5.1
151.03836	4.5
153.01845	6.8
161.02296	3.1
163.00275	4.5
163.03931	3.0
164.01064	2.1
165.01823	12.9
167.03409	3.6
175.03943	1.6
176.01076	1.2
177.01839	6.6
178.02737	1.2
179.03447	5.6
181.12291	1.3
187.03955	1.9
189.01848	2.2
190.02457	0.9
190.99792	1.2
191.03400	4.3
193.01340	6.9
195.02879	2.4
195.04495	1.0
197.06039	1.9
199.03934	1.5
201.05531	1.4
205.01312	3.6
206.02075	2.4
207.02939	17.1
208.03180	1.3
213.05565	2.1
215.03398	3.6
219.02914	1.6
223.02393	2.6
225.05446	1.7
227.03458	3.6
227.07025	2.1
228.04114	2.2
229.04936	1.5
231.02963	1.8
233.00685	1.0
235.02414	3.2
237.03830	2.3
240.04214	1.3
241.05002	2.5
243.02916	2.0
253.05104	2.2
255.02881	3.8
256.03699	2.3
257.04559	4.6
269.04388	5.9
270.05191	1.5
271.02521	1.1
271.05936	2.1
281.04520	1.1
284.03314	3.0
285.03989	5.7
287.05408	1.3
297.03912	8.4
298.04819	2.5
299.02380	1.4
299.05621	11.6
300.02707	20.6
300.05765	1.9
301.03464	13.9
311.05438	2.0
312.02576	1.4
313.03552	12.6
314.04245	10.4
315.05038	6.9
325.03473	5.5
327.05020	10.0
329.06628	3.6
331.04263	0.9
343.04532	76.9
344.04822	8.1
355.04559	5.5
357.06076	2.6
373.05582	39.0
374.05899	3.9
385.05606	1.3
429.08353	11.1
430.08646	1.7
447.09265	100.0
448.09686	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	447.0929
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12269	1.1
57.41722	1.1
65.25851	1.0
69.18461	11.3
79.01751	1.6
108.84569	1.0
109.02841	2.5
111.52248	1.0
117.36009	1.0
119.87908	1.1
121.02856	2.6
133.02831	20.2
135.04411	2.9
135.48138	1.0
149.02322	1.5
151.00377	1.5
152.73207	1.0
161.02348	2.5
163.00262	4.8
163.03951	3.1
165.01819	3.2
165.15962	1.0
175.03941	4.5
177.01797	1.6
193.01404	1.5
199.03902	3.9
201.01845	1.6
203.03525	1.2
225.05515	1.7
253.05043	3.1
255.02856	1.7
269.04471	2.3
281.04727	1.3
284.03198	7.0
285.03970	12.8
297.04025	23.1
298.04816	13.9
299.05579	30.3
300.06039	3.4
306.76773	1.3
309.04007	1.4
311.05612	7.6
324.02762	1.3
325.03464	2.6
327.05078	100.0
328.05444	9.0
330.03854	2.0
339.04993	9.7
357.06110	56.4
358.06433	6.6
369.06271	2.8
387.07074	1.2
429.08148	7.3
430.08444	1.4
447.09305	70.0
448.09589	10.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.0932
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00957	0.7
59.01249	11.6
63.02267	1.2
65.00201	1.2
71.27839	0.5
83.01257	1.6
85.02809	0.8
86.05362	0.4
89.02306	0.9
98.20050	0.4
101.02306	1.4
104.13569	0.4
107.01263	2.6
109.02837	0.9
113.02345	0.9
119.03396	0.5
121.02853	1.1
125.02316	0.4
133.02841	6.5
134.03653	0.7
135.04309	0.4
149.02328	1.5
151.00278	3.8
161.02347	0.5
161.04437	0.8
163.03893	0.4
171.04396	0.5
175.03957	2.2
177.01772	0.4
182.11063	0.4
185.06081	0.4
198.03137	0.5
199.03920	1.8
200.04749	0.7
201.01938	0.4
207.24156	0.4
211.03983	1.4
211.13329	0.8
212.04712	0.5
213.05505	0.7
215.03448	0.4
217.04988	1.3
227.03477	1.7
239.03462	0.7
241.04962	0.9
255.03033	1.7
256.03683	4.1
257.04279	0.7
267.16031	0.6
283.02405	0.8
284.03256	52.0
285.04013	100.0
286.04361	7.7
297.04099	2.5
298.04730	1.2
299.05554	2.3
311.05508	0.6
313.03543	0.5
327.05072	10.0
328.05450	1.2
339.05026	0.6
340.61813	0.4
343.04593	0.6
348.00449	0.4
357.06107	5.0
358.06604	0.6
387.20288	1.4
429.08301	0.5
430.08774	0.5
447.09293	89.3
448.09634	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	447.0933
Annotation	Unknow
Peak:m/z	Relative Intensity
57.05313	0.5
59.01247	6.6
65.00185	1.3
67.98425	0.4
71.01248	2.1
71.27190	0.5
71.27515	0.8
72.20512	0.5
77.82948	0.5
79.01773	0.5
83.01259	1.0
85.02815	0.6
87.00742	0.5
89.02324	2.1
97.02832	0.8
99.26344	0.5
101.02320	2.1
105.03375	0.5
107.01270	2.7
109.02843	0.8
119.03363	0.7
121.02824	1.0
125.02389	0.7
133.02841	14.6
133.03842	0.9
134.03177	0.5
135.04457	0.4
137.02303	0.7
149.02364	2.2
151.00278	5.8
161.02379	1.8
161.04388	0.7
163.00293	2.3
163.03932	1.0
165.01849	1.3
167.21637	0.6
172.61290	0.5
175.03914	4.5
176.04175	0.5
177.01859	0.8
179.36456	0.6
183.13953	0.5
198.03110	0.7
199.03877	3.0
201.01811	1.9
211.03964	1.0
211.13332	7.8
213.05432	0.8
215.03441	0.7
217.05051	2.2
225.05550	0.7
227.03548	0.8
239.03400	0.8
240.04277	0.9
241.05057	1.3
243.02885	1.3
253.05127	0.7
253.09209	0.6
255.02953	0.8
256.03717	3.0
257.04480	0.7
269.04544	1.1
284.03278	6.0
285.04028	100.0
286.04385	9.1
297.04034	12.3
298.04794	10.3
299.05560	7.7
300.02728	0.6
311.05566	2.3
313.03598	2.8
314.03796	0.5
324.02768	1.4
325.03470	4.3
326.04062	1.4
327.05063	22.2
328.05429	2.3
337.03259	0.7
339.05090	2.3
343.04556	6.7
357.06091	10.0
358.06500	1.1
373.05664	0.9
411.07138	3.0
429.03110	0.7
429.08255	5.5
430.08356	1.0
447.09241	32.7
448.09662	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	445.2807
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75949	2.2
59.01248	100.0
61.98694	11.1
64.65273	3.2
65.87191	2.7
70.87504	8.2
71.01259	3.6
78.95764	8.1
87.16419	3.4
89.02330	3.4
91.03905	4.0
92.09856	2.5
96.95887	4.2
115.52129	2.5
118.96012	3.2
138.60760	2.7
152.99495	3.7
161.82767	2.6
243.28033	2.9
311.22321	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	445.2803
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	100.0
61.98682	3.0
65.83418	0.8
70.82985	2.4
76.32401	1.0
78.95752	1.6
89.02291	0.9
91.03881	5.2
93.36287	0.9
96.95879	3.4
152.99448	1.4
183.41125	0.9
211.13297	2.1
222.23802	0.9
235.10744	1.0
269.04419	1.7
287.05563	0.9
293.21097	1.7
311.22263	22.1
312.07593	1.1
312.22623	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2802
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95546	1.5
53.33938	1.9
59.01250	100.0
61.98676	2.1
69.28545	14.8
71.01262	2.3
78.95760	3.6
89.02307	2.6
91.03831	1.9
98.19657	1.9
121.02778	2.7
152.99487	8.4
233.11688	2.4
254.52760	1.6
288.54272	2.0
293.20984	3.1
311.22229	14.2
312.22586	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2594
Annotation	Tyromycin A
Peak:m/z	Relative Intensity
51.22562	0.7
53.62933	0.8
57.03326	1.9
59.01248	5.9
59.17504	0.8
71.51359	1.0
71.51760	1.1
78.95771	3.8
85.06454	6.1
87.04366	1.0
89.02319	1.1
95.04968	1.0
97.06464	1.0
102.89862	0.9
106.44037	0.9
110.98444	1.3
111.04399	13.3
111.08035	16.9
123.04356	1.4
137.09615	0.8
139.07530	1.3
149.06020	0.8
149.09618	1.1
156.16313	0.9
163.07498	1.4
163.11185	0.9
165.05466	2.0
167.01041	3.0
175.11273	0.8
177.09050	1.0
189.12857	1.2
191.10733	2.0
191.14317	2.6
193.08615	1.2
193.12215	1.8
202.14313	0.9
203.11272	0.9
203.14291	1.4
207.06548	1.7
221.08153	3.4
222.08711	0.8
235.09711	30.0
236.10036	2.7
261.18564	2.7
265.14420	1.2
265.37454	0.9
277.21677	12.5
278.22067	0.9
343.22751	3.1
359.18631	1.7
369.20596	2.0
383.26184	1.3
401.26776	1.7
445.25928	100.0
446.26276	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	445.2592
Annotation	Berkeleyone A
Peak:m/z	Relative Intensity
53.75675	0.6
55.57003	0.6
57.03323	0.7
59.01247	6.1
71.01273	1.1
75.71583	0.7
89.02327	1.2
98.19819	2.5
109.02865	0.7
117.57520	0.7
121.64932	0.6
123.04379	1.3
125.05962	2.0
151.03862	3.9
152.04668	2.1
177.01936	0.9
179.03430	4.0
179.05502	0.7
179.10605	0.8
180.04192	20.4
181.04535	1.0
195.06580	1.1
207.10196	1.5
217.08669	1.5
218.09282	0.8
219.10191	1.4
221.08183	7.1
222.08824	1.7
223.09627	5.1
230.28268	1.1
235.09688	29.7
236.10481	50.0
237.10832	2.6
247.09760	1.1
249.11324	2.6
267.77393	0.8
358.17786	0.9
376.18765	1.1
445.25894	100.0
446.26254	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	445.2592
Annotation	Berkeleyone A
Peak:m/z	Relative Intensity
57.03316	2.6
59.01266	5.9
70.65668	2.5
71.04906	5.9
72.86922	0.9
77.65793	1.0
78.74079	1.0
78.95782	2.1
82.22383	1.0
85.06475	6.2
85.32104	1.0
87.04390	4.6
95.04901	2.0
96.70549	1.0
97.06406	1.0
109.02805	3.4
111.00758	1.0
111.04401	4.9
118.91398	1.0
121.02813	1.5
123.04446	1.4
123.08068	1.5
125.02346	9.4
125.05960	1.5
135.04419	1.5
135.08075	1.5
137.02342	3.3
137.09618	4.1
139.11185	2.4
140.01074	1.1
141.05466	2.0
149.09619	2.1
150.06757	3.0
151.07515	2.9
151.11147	1.7
153.01808	1.6
153.09152	1.7
163.03951	2.0
174.92650	1.1
177.05487	4.7
178.06219	2.0
179.07054	14.0
179.10692	3.7
180.04288	1.2
180.07770	2.4
181.04985	1.0
182.05705	1.4
192.07799	1.3
195.06557	100.0
196.06874	3.5
197.11673	4.6
203.14398	1.5
205.15912	1.1
219.06557	4.6
219.13870	3.0
221.15428	9.8
233.08110	1.7
247.13365	23.6
248.13899	3.9
249.14848	2.4
265.14432	92.9
266.14777	8.0
266.84238	1.2
269.04532	1.9
287.12927	1.0
289.21710	1.8
301.14249	1.5
321.17291	1.1
333.20724	4.4
357.20676	4.4
370.33347	1.1
399.25378	2.0
427.24896	9.9
428.25055	1.3
445.25909	78.8
446.26309	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	445.236
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72632	0.7
59.01246	8.8
61.98668	0.8
66.22158	0.7
71.01255	1.7
71.51083	1.0
78.95773	21.1
83.04906	0.7
89.02338	1.7
101.02298	0.9
110.98420	10.3
119.04816	1.3
121.02880	1.0
145.02837	1.1
151.61235	0.7
152.99492	1.0
167.01054	17.3
185.02119	3.4
263.34949	0.8
277.21707	100.0
278.22061	10.4
445.23477	16.9
446.24100	2.5
462.97620	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	4.1
55.71289	0.9
57.03050	1.3
57.03328	17.1
58.32425	1.0
59.01242	9.9
61.98705	3.6
67.01746	1.2
71.01250	6.1
71.52515	1.7
72.99182	1.2
73.02819	2.6
75.00744	1.1
83.01248	7.8
84.02057	2.9
85.02822	100.0
86.03149	1.7
89.02328	1.2
101.02323	4.3
111.00764	26.9
114.97128	0.9
115.00237	1.7
121.02850	8.4
125.07549	0.9
129.01831	50.1
130.02116	1.4
139.25797	1.1
153.09090	0.9
160.11887	1.0
160.44220	1.1
161.04469	3.5
181.06512	1.5
187.02417	2.1
205.03470	31.6
223.04573	6.1
239.16489	3.0
311.05548	1.2
357.09958	1.8
401.08603	1.4
425.44888	1.1
445.11032	2.5
445.20425	1.5
465.13293	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75694	0.6
56.24442	0.5
57.51061	0.6
58.00468	1.2
59.01249	100.0
60.01577	1.1
62.17118	0.6
63.99486	0.6
69.97959	2.5
71.01252	18.8
72.99179	1.7
73.02828	1.7
80.20325	0.6
83.01284	1.1
83.04902	2.5
85.02422	0.5
85.02818	3.2
87.00757	1.2
89.02316	30.4
90.25498	0.5
91.55374	0.5
95.01251	1.3
98.20517	0.8
101.02332	8.3
103.03897	0.6
109.32870	0.5
113.02343	7.7
119.03392	9.4
125.02375	0.8
131.03429	1.7
143.03401	3.1
161.04485	3.9
163.06076	1.0
179.03188	0.8
179.05525	15.8
205.07170	0.6
209.08182	1.0
235.02368	0.6
281.19678	0.6
284.78220	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00487	1.4
59.01255	100.0
69.17629	3.7
69.18050	9.0
71.01254	24.4
72.99165	2.4
73.02808	2.4
73.25953	1.2
74.06941	1.1
85.02811	5.0
85.78359	1.5
87.00761	1.6
89.02319	31.5
90.02666	1.2
99.00811	1.5
99.79741	1.1
101.02332	12.0
113.02348	12.2
119.03389	13.0
125.02205	1.6
137.77408	1.3
138.06729	2.4
143.03372	5.0
151.07568	3.1
152.08360	2.1
153.09134	14.5
161.04457	10.6
163.06146	1.4
179.05530	15.2
205.12300	4.1
216.47415	1.3
223.13286	5.0
236.60901	1.2
237.44460	1.4
257.22757	1.3
362.59052	1.4
385.18597	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	445.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17897	1.8
52.22318	1.9
56.68002	1.9
59.01252	100.0
61.98690	2.6
63.60447	1.7
67.21951	2.0
69.45921	4.7
69.46342	11.2
71.01250	36.2
72.99184	4.4
75.43271	1.8
82.45999	1.7
85.02813	7.6
89.02317	52.7
95.01283	2.4
96.00800	2.2
98.20468	4.6
98.37499	1.9
101.02317	19.7
113.02334	15.4
119.03400	19.1
131.03343	2.7
133.02809	5.3
143.03452	4.4
143.11806	2.1
145.21443	2.2
149.04401	2.7
153.09117	3.1
161.04465	7.5
162.03154	2.4
179.05516	18.6
196.28845	2.0
205.12277	4.6
214.99893	2.1
241.05086	2.2
255.02969	5.3
269.04501	18.0
283.02170	2.7
284.03323	3.5
285.03958	3.0
297.03961	11.0
298.04639	7.3
306.83932	2.0
310.36987	2.7
313.03568	26.7
325.03458	7.9
326.04205	6.0
327.05014	5.1
355.04199	2.8
356.05090	2.9
368.05270	2.5
385.18600	6.2
445.07394	11.0
446.08347	7.4
450.74716	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	445.208
Annotation	Unknow
Peak:m/z	Relative Intensity
54.33744	1.9
55.01739	2.8
57.03320	15.2
59.01250	11.5
61.98696	6.0
70.65154	4.4
71.01256	9.7
72.99203	1.4
83.01246	9.9
84.02016	2.4
85.02825	100.0
86.03116	2.7
89.02331	1.8
95.55650	1.6
101.02303	5.2
111.00771	25.6
121.02846	14.1
129.01826	43.9
161.04448	3.5
168.31622	1.4
181.04842	1.6
181.06424	3.5
187.02368	3.1
200.08926	2.1
205.03474	32.1
223.04668	3.6
225.05605	2.1
239.16368	4.0
249.19025	1.6
357.09503	2.8
401.08856	2.9
445.11191	4.6
445.24661	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	445.1993
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21611	0.7
51.80379	0.7
59.01251	100.0
60.01613	1.3
61.98701	4.7
71.01246	1.2
78.95768	6.1
96.95908	2.3
99.08004	0.7
104.43451	0.7
116.75025	0.8
121.02859	1.3
143.04591	0.9
148.99986	5.9
153.86235	0.8
167.07027	3.8
177.03328	1.5
201.99890	0.9
205.15955	6.3
233.11658	4.0
235.02353	0.8
269.04584	2.2
297.03943	1.4
311.22366	2.4
313.03625	2.9
325.03647	1.0
355.16754	20.7
356.17221	2.0
385.17825	13.2
386.18259	1.8
445.07733	1.8
445.20428	1.6
445.25626	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1714
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	93.9
71.01255	51.2
71.51242	5.1
71.51645	5.7
72.99171	7.5
73.02826	33.9
74.18317	4.7
85.02818	22.6
87.00717	15.9
89.02316	28.0
101.02311	54.1
103.03874	21.5
103.31734	4.3
107.04907	5.2
113.02315	10.5
115.03873	5.6
117.18159	5.0
119.03381	17.6
119.04920	43.7
120.13543	4.7
124.82876	4.7
125.02266	5.8
126.22356	4.9
131.03381	13.8
143.03363	20.5
163.06015	43.8
188.56000	5.0
205.07108	38.0
251.59703	7.5
299.11423	13.8
445.17206	100.0
446.17288	17.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1196
Annotation	Unknow
Peak:m/z	Relative Intensity
55.36135	0.7
58.01511	0.6
59.01246	42.6
60.32637	0.6
70.66982	1.6
70.67321	0.6
71.01251	3.0
72.99149	1.1
75.00745	26.4
76.60007	0.7
79.95629	0.7
84.00747	0.7
85.02834	1.7
87.00759	1.6
89.02316	2.7
96.95898	3.9
99.05744	0.7
101.02319	1.1
103.00246	100.0
104.00609	1.8
104.03416	3.0
105.01787	1.5
108.01975	0.9
113.02290	0.9
118.50493	0.7
119.04968	0.9
135.04407	1.0
141.01791	0.9
151.02512	5.1
151.03755	1.0
152.01003	1.0
161.06290	0.6
165.00064	0.6
165.04085	12.4
170.52679	0.6
175.02353	1.1
177.01857	0.7
179.05515	1.3
186.29175	0.7
199.00569	1.0
236.07169	0.7
246.98373	1.3
249.78625	0.8
274.98254	0.8
283.06927	2.3
284.07230	0.8
315.07501	0.8
341.10760	3.8
371.09946	0.9
445.04083	3.8
445.10098	2.0
469.31705	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.114
Annotation	Dihydrogranaticin
Peak:m/z	Relative Intensity
54.72275	0.5
59.01249	7.3
62.12922	0.5
71.01200	2.6
71.50468	0.7
73.02785	1.2
78.23617	0.5
79.01707	0.5
83.01238	0.6
85.02765	1.5
89.02254	1.6
101.02270	1.6
109.02783	0.6
121.02802	1.6
127.91352	0.5
132.02046	0.9
133.02832	3.9
134.03635	3.8
135.00641	0.8
136.01505	1.2
137.02315	0.9
141.37785	0.5
149.02229	1.4
149.85468	0.6
161.02275	1.8
163.00256	5.1
164.00940	0.7
165.01776	2.0
165.20387	0.6
177.01794	0.8
178.99818	0.6
187.03906	0.6
189.01816	1.0
201.01915	1.2
209.11852	1.4
209.50917	0.7
211.03850	1.5
213.05461	0.7
223.13222	0.7
225.05498	1.2
227.03540	0.8
229.04936	1.1
241.04973	2.8
242.05688	0.8
253.05038	1.9
255.02919	6.7
256.03510	1.5
268.03796	1.6
269.04541	6.6
270.05109	2.6
271.05673	0.6
279.02933	0.7
281.04425	0.7
283.02545	2.0
283.05911	0.9
284.03290	4.3
285.04013	4.3
296.03183	2.7
297.04019	25.6
298.04794	100.0
299.05283	13.5
309.04025	7.7
310.04706	3.1
311.05508	6.1
312.02826	0.6
312.06287	2.3
313.03494	2.2
313.07153	6.6
314.07361	1.2
323.05624	1.5
324.02756	1.1
325.03510	4.0
325.07095	1.0
326.04285	7.5
327.05029	2.7
328.05603	1.1
330.03876	2.7
331.04413	0.7
337.03635	1.6
338.04221	2.4
339.04999	1.8
341.06619	83.8
342.06992	8.9
344.05484	1.3
353.06714	6.0
354.07004	0.8
355.04529	1.9
356.05280	8.7
357.05905	1.2
371.07709	29.8
372.08069	3.4
373.81042	0.6
383.07797	1.8
385.09018	0.9
427.10492	4.2
445.11472	53.4
445.24622	2.4
446.11847	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	445.0773
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97484	0.3
57.03315	0.4
59.01244	7.2
61.98698	0.6
65.03832	0.4
67.01749	0.9
69.63548	2.3
71.01249	2.3
72.76770	0.3
73.02814	3.1
75.00711	0.5
81.03345	0.4
83.01269	0.6
85.02815	1.6
87.00739	1.0
88.03889	0.5
89.02308	1.4
89.03828	1.3
91.01758	1.1
93.03350	0.4
97.02827	0.4
98.19912	0.7
99.00781	0.5
101.02306	1.6
105.09592	0.3
107.51910	0.3
109.02831	5.2
113.02323	0.6
119.03365	0.5
119.04825	0.4
121.02856	0.8
123.02593	0.7
125.02291	0.7
125.04178	1.4
131.04953	0.7
133.02838	17.9
134.03101	0.4
135.00800	0.5
135.02632	0.7
135.04370	0.7
137.09631	0.7
147.04405	1.2
149.02299	1.8
151.04016	0.4
151.05756	6.9
161.02376	0.4
161.04443	1.0
163.00256	0.5
163.03925	0.6
165.01932	0.4
165.12782	0.4
169.06569	0.3
171.04250	0.4
173.82368	0.3
175.02441	0.5
175.03894	6.8
177.01860	6.3
179.05481	0.3
180.02013	0.4
181.12199	0.4
183.08136	0.4
191.03383	0.7
195.04745	6.9
196.05119	0.5
197.11707	2.0
199.03937	1.7
201.01849	2.5
209.11754	1.2
211.07640	0.6
213.05515	0.5
222.11395	0.4
222.15002	0.9
224.04742	0.5
224.12863	0.4
225.05539	1.9
225.11261	0.9
227.03409	0.6
237.05475	0.5
239.06966	0.6
240.12341	1.2
240.16049	0.9
241.04947	1.0
247.08296	0.5
249.05821	0.4
253.08606	1.3
255.02840	0.3
255.06807	0.4
259.14368	0.4
266.13992	1.2
267.06689	1.6
269.04520	2.0
270.05194	0.4
283.06186	0.8
283.15594	0.8
284.03247	0.7
284.14990	1.0
285.03870	0.7
297.04102	2.4
298.04727	4.8
299.05481	3.9
299.16476	0.8
300.02802	0.5
301.03513	0.7
309.03934	0.7
311.05588	100.0
312.05948	10.1
312.09027	0.2
313.03519	1.7
325.03378	1.1
327.05060	5.6
328.05490	0.9
341.02917	0.6
341.06433	2.1
342.06641	0.5
343.04541	0.6
355.04514	10.5
356.04852	0.9
357.06433	0.5
371.07706	0.8
401.12344	1.6
445.07538	1.8
445.11469	1.3
445.25290	1.6
446.07291	0.4
446.19992	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	443.28
Annotation	Foetidinol
Peak:m/z	Relative Intensity
59.01247	0.4
62.56810	0.2
67.66125	0.3
71.14526	0.6
74.54564	0.3
82.02828	0.3
107.04888	0.8
107.97845	0.2
123.04407	2.9
125.05981	4.2
137.02444	0.2
137.09610	0.4
151.03914	10.2
152.04561	1.2
163.03915	0.4
165.01862	0.3
165.05484	0.6
166.02621	1.2
177.01865	1.9
177.72833	0.3
179.03427	2.9
179.10707	0.3
180.04196	10.6
181.04541	0.6
184.03601	0.3
185.60225	0.3
189.09091	0.3
191.03383	0.3
191.10675	0.6
205.12311	0.6
207.06444	0.3
207.10167	2.3
208.07574	0.4
210.74518	0.3
217.08632	4.5
218.09090	0.4
219.10226	0.7
221.08131	0.8
222.08868	2.2
223.09627	0.4
231.10150	0.5
233.08144	1.0
235.09711	100.0
236.10393	25.3
237.10808	1.5
247.09705	4.1
248.10130	0.5
249.11287	4.8
261.11395	0.8
301.14597	0.4
303.16171	0.4
326.79727	0.3
357.20828	0.4
359.18723	0.5
373.20276	0.4
374.21039	3.0
375.21640	0.7
443.27994	76.7
444.28326	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	443.2799
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27083	0.4
55.83026	0.4
66.26920	0.4
70.43148	1.6
91.00127	0.4
107.04904	1.4
112.56622	0.3
123.04375	2.1
123.14520	0.4
125.05970	4.1
137.09616	0.7
149.02350	0.6
151.03912	15.1
152.04565	1.7
163.03835	0.5
165.05479	1.5
166.02573	1.9
177.01871	3.0
179.03386	3.3
180.04195	15.8
181.04604	0.8
191.03412	0.8
191.10710	0.4
202.06371	0.8
205.12323	0.4
207.10231	1.9
217.08624	2.3
219.10150	0.6
221.08162	0.7
222.08873	2.4
233.08026	0.6
235.09714	100.0
236.10387	26.4
237.10805	1.5
247.09705	3.8
249.11263	5.3
250.11577	0.6
261.11322	0.5
291.12561	0.5
303.15604	0.6
331.15692	0.4
331.26700	0.4
357.20908	0.5
359.18402	0.5
374.20932	3.0
375.21451	0.6
443.27988	78.1
444.28339	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	443.2802
Annotation	Foetidinol
Peak:m/z	Relative Intensity
57.03313	1.5
59.01236	1.2
61.54191	0.3
61.98698	0.6
67.96284	0.4
69.03334	2.1
69.43417	1.2
69.43856	1.4
71.01273	0.4
71.04873	0.9
81.03321	0.4
83.04893	1.1
89.17623	0.3
97.92211	0.4
99.08011	2.1
101.05956	1.2
120.30838	0.3
121.06463	1.6
123.04411	1.8
123.07910	0.3
125.05936	2.6
127.07526	2.6
135.04396	3.9
136.05203	2.5
137.06007	2.1
137.09615	14.5
137.91104	0.4
138.09932	0.7
139.11194	4.8
149.05975	0.6
151.11128	0.4
165.09087	0.5
165.12712	0.7
167.10645	0.5
177.12662	0.4
193.12199	0.6
195.13782	0.5
203.14330	0.8
205.12300	1.3
217.12282	0.7
221.11778	1.2
221.15417	7.0
222.15781	0.6
247.13463	0.5
257.15411	1.4
259.16940	1.2
269.17148	0.4
275.16528	4.3
276.16599	0.5
277.18124	1.4
315.23248	1.0
317.21225	1.1
343.19293	0.5
359.22186	1.8
399.28964	0.6
425.26849	0.5
443.27985	100.0
444.28287	16.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2799
Annotation	Unknow
Peak:m/z	Relative Intensity
58.62064	0.4
62.51730	0.6
69.88972	0.5
79.01771	0.6
85.14471	0.5
99.07996	0.6
109.02818	0.5
123.04404	1.2
125.05978	4.5
125.09570	0.7
137.09613	0.5
138.03114	0.8
148.43114	0.5
151.03897	5.3
165.01830	0.7
165.05446	0.7
166.02609	1.5
177.01901	1.1
179.03397	1.9
180.04243	4.6
191.03539	0.5
205.12299	0.9
207.06519	1.4
207.10199	0.9
217.08629	2.0
221.08124	4.8
222.08888	4.2
229.23813	0.6
231.10162	0.7
233.08122	1.8
235.09697	64.4
236.10374	13.5
237.10803	1.0
247.09706	9.4
248.10190	1.2
249.11325	7.5
249.18529	2.1
250.11467	0.7
261.11295	2.3
291.12061	0.7
301.14450	1.5
303.15897	1.0
317.17526	1.0
345.17142	1.0
357.20721	1.6
359.18454	0.9
373.20270	1.1
374.20779	1.8
399.29303	1.1
409.20428	0.6
443.27975	100.0
444.28403	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	443.28
Annotation	Unknow
Peak:m/z	Relative Intensity
53.83152	1.7
67.56912	1.9
70.42948	2.6
70.43317	6.4
77.02850	1.6
80.42285	1.6
86.20947	1.8
98.19908	2.0
125.05983	6.8
151.03909	8.1
177.01822	3.6
179.03439	1.9
217.08614	3.9
221.08151	9.0
235.09703	100.0
236.10156	7.9
257.94498	1.9
262.08658	2.2
301.34650	2.2
305.14041	7.7
315.71002	2.3
374.21014	6.7
382.92810	2.1
443.28030	71.9
444.28296	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	443.2799
Annotation	Unknow
Peak:m/z	Relative Intensity
71.14428	0.9
79.01756	0.7
81.97346	0.4
87.01676	0.5
99.08020	0.4
107.04855	0.6
123.04384	1.6
125.05959	4.5
151.03914	9.0
152.04636	0.5
160.55801	0.4
165.05469	0.9
166.02606	1.4
177.01820	0.8
177.08965	0.6
179.03395	2.0
180.04201	7.8
191.03484	0.4
205.12152	0.8
207.06531	0.5
207.10144	2.4
217.08586	3.2
219.10170	0.6
221.08127	6.4
222.08876	3.2
223.09587	0.7
231.10062	0.6
233.08009	1.1
235.09706	100.0
236.10410	30.7
237.10762	1.9
247.09677	4.9
249.11244	5.8
249.18538	1.3
261.11212	0.6
262.11832	0.4
317.13953	0.8
317.17526	0.6
359.18301	0.8
373.20126	1.4
374.20926	1.2
399.29123	1.1
443.27991	80.7
444.28320	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	443.2802
Annotation	Unknow
Peak:m/z	Relative Intensity
55.64244	0.5
58.84906	0.5
59.93618	0.6
64.34395	0.5
66.58577	0.5
69.32196	5.4
71.04920	0.7
76.35280	0.6
98.19878	1.3
101.24918	0.6
123.04384	0.7
125.05972	3.7
138.03082	0.6
151.03915	9.2
152.04675	1.2
165.01845	0.8
165.05467	1.3
166.02603	1.3
177.01881	1.7
179.03409	3.0
180.04190	14.5
184.03987	0.7
191.10686	1.2
207.10336	1.4
217.08649	1.8
221.08134	2.3
222.08897	2.5
223.09637	1.2
223.67429	0.6
235.09715	98.8
236.10417	28.9
237.10806	1.8
247.09790	4.4
249.11238	6.6
249.18614	1.0
261.11374	0.8
279.87738	0.6
298.50134	0.6
302.18381	0.6
317.17776	0.9
359.18927	0.8
373.20233	1.0
374.20862	1.0
399.28833	1.2
443.28003	100.0
444.28323	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	443.2801
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03322	5.1
61.11572	0.4
68.54247	0.5
82.30097	0.5
87.93301	0.5
107.81747	0.5
125.05964	5.4
137.02409	0.5
137.09596	1.6
138.03069	0.7
139.03943	0.6
151.03972	0.5
161.23915	0.4
165.01808	0.6
166.02629	3.2
166.18857	0.4
179.10881	0.5
180.04189	0.6
191.10760	0.6
192.04308	0.4
193.12227	1.1
194.26248	0.4
201.34474	0.4
207.06477	0.8
221.08130	9.8
222.08922	16.0
222.11105	0.8
223.09604	2.6
229.37762	0.6
233.08139	1.7
233.11807	2.1
235.09653	4.7
236.10466	3.0
247.09735	10.6
248.10353	1.3
259.09683	0.8
261.11346	0.9
271.16949	0.7
273.11243	0.5
273.18594	1.8
303.16028	1.2
313.14520	0.6
317.17554	38.2
318.17993	4.1
329.24771	1.2
331.15479	5.0
331.18976	1.1
332.15601	0.6
341.17560	9.7
342.17957	1.5
355.19016	1.1
356.19897	1.9
373.20059	1.0
374.20834	2.2
443.27988	100.0
444.28302	17.4
461.06763	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.28
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67088	0.3
57.03330	1.7
59.35374	0.3
69.20595	2.0
69.21022	1.3
71.04880	0.3
72.73635	0.3
79.01761	0.4
81.99522	0.4
95.98882	0.4
99.08055	0.4
109.02846	0.6
121.06467	0.9
123.04415	1.1
125.05979	4.0
137.02315	0.5
137.09656	0.9
138.03133	0.6
149.09593	0.5
151.03909	4.1
163.11287	0.4
165.01875	0.4
165.05475	3.7
165.12741	0.4
166.02643	2.0
177.01843	1.3
177.08995	0.4
179.03409	1.3
180.04195	4.3
187.11398	0.4
191.03392	0.7
191.10655	0.8
193.12239	0.7
203.10712	0.9
205.12291	2.8
207.06531	0.5
207.10263	0.7
217.08704	0.8
221.08165	2.6
221.11710	0.5
222.08916	2.8
223.09660	0.7
231.10152	1.7
233.08157	1.0
235.09717	43.9
236.10402	10.2
237.10762	0.5
247.09688	5.3
248.10300	0.7
249.11296	44.5
250.11621	3.3
256.66415	0.4
259.17148	0.5
261.11295	1.3
261.18594	1.4
262.11942	0.4
263.12946	0.4
273.14700	0.4
275.13095	0.4
289.14459	0.6
291.12534	0.4
301.14423	0.9
303.16040	3.0
304.16714	0.9
317.17542	2.9
329.24951	0.4
331.15436	0.9
331.18945	0.5
341.16837	0.4
357.20795	0.5
359.18411	0.7
373.20059	1.0
374.20938	2.1
392.70126	0.3
399.28946	1.0
443.27997	100.0
444.28317	18.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2802
Annotation	Foetidinol
Peak:m/z	Relative Intensity
53.77392	0.3
57.03313	0.8
59.01252	3.4
60.99172	1.1
61.98715	0.3
69.93298	1.4
71.01254	1.3
72.99185	0.4
73.02814	1.3
85.02785	0.7
87.00739	1.8
89.02309	0.8
97.06399	0.4
98.20583	0.7
111.08036	1.0
113.09594	0.9
129.09091	1.9
135.04437	0.3
141.09065	0.4
143.10713	1.8
155.10721	0.8
165.12764	9.4
166.13091	0.9
178.09923	0.3
181.12201	0.4
183.13826	1.5
209.11696	0.5
213.14876	0.9
227.12888	2.4
241.14354	2.0
253.14368	0.6
259.13431	0.5
277.14389	0.7
283.87253	0.3
291.19427	0.4
295.22717	7.9
296.23145	1.5
317.21225	1.8
323.23700	0.6
325.25363	13.6
326.25842	1.7
333.20569	0.6
335.22296	7.2
336.22632	0.4
339.23184	1.0
347.22247	2.6
353.23383	2.3
369.24203	1.0
371.22159	0.4
381.27692	0.5
387.25381	1.3
389.23499	0.5
395.26004	0.9
397.27423	2.9
399.28809	0.5
407.24774	0.5
425.21637	0.7
425.26971	7.6
426.27243	0.9
443.28006	100.0
444.28326	16.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2797
Annotation	Foetidinol
Peak:m/z	Relative Intensity
54.73306	0.3
59.01248	1.4
60.99183	1.5
61.98699	1.6
71.01244	1.2
71.50301	0.5
71.50697	0.3
83.04887	0.5
85.02864	0.3
87.00741	1.1
109.06496	0.3
129.09081	1.5
146.71225	0.2
149.53127	0.3
165.12695	0.6
205.12300	0.4
207.10182	0.5
213.14879	0.6
241.14380	2.0
253.14223	0.5
259.13257	0.5
277.14417	0.6
295.22726	3.7
296.23297	0.4
323.23798	1.0
325.25323	22.6
326.25681	3.3
335.22275	1.3
339.23300	0.7
381.27994	0.9
388.10623	0.3
397.27484	2.4
399.29144	0.4
425.26947	4.2
426.27460	0.7
443.27975	100.0
444.28302	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	443.2653
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14406	1.6
54.26855	1.3
57.03312	5.0
57.98405	1.4
58.00453	2.9
59.01254	21.3
61.86964	1.4
61.98708	2.6
70.79656	1.5
70.83367	4.7
71.01247	7.0
71.04889	1.9
72.61250	1.4
83.04883	2.7
83.14007	1.7
85.02805	2.6
87.00750	21.3
89.02316	6.3
96.68166	1.4
96.95832	1.5
99.00797	1.8
99.25554	1.5
101.02354	2.5
109.06489	2.0
111.00764	2.0
111.08029	7.0
113.09615	5.4
127.11202	1.7
129.01906	2.3
129.09113	32.7
139.11176	2.0
141.09126	2.5
143.10680	16.5
145.63170	1.5
147.02893	6.8
155.10684	6.4
161.01120	1.7
165.12775	63.1
166.13141	4.6
178.09871	2.0
179.14337	2.1
181.12250	3.6
183.13840	10.6
191.10690	3.0
197.11769	3.6
203.26057	1.7
204.67174	1.6
209.11703	2.9
211.13382	2.6
213.14931	14.0
215.12822	1.7
221.11826	1.8
223.13321	5.5
227.12843	14.0
235.13441	2.2
241.14418	40.7
242.14719	3.7
253.14417	14.5
259.13425	12.7
273.22540	2.6
277.14413	18.2
278.14685	2.0
291.23325	3.5
295.22769	100.0
296.23056	11.6
317.21173	14.8
318.21481	2.7
319.22845	2.8
325.25381	11.7
333.20660	6.3
335.22278	51.5
336.22647	5.5
347.22104	14.9
348.22491	2.1
353.23340	16.5
371.22141	2.2
377.23193	4.3
389.23172	3.3
397.27451	3.1
407.24506	4.9
425.26871	5.9
443.28030	83.8
444.28323	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	443.2651
Annotation	Unknow
Peak:m/z	Relative Intensity
56.60270	1.3
59.01249	100.0
61.98707	8.2
61.98978	1.1
67.94173	1.2
71.50132	1.8
74.93428	1.6
78.95757	2.6
96.95879	1.8
100.26709	1.2
101.78703	1.3
113.47572	1.2
121.22797	1.4
209.11926	1.6
232.52379	1.5
285.05591	2.8
291.19604	5.8
309.20691	6.7
364.85895	1.5
440.63892	1.4
443.28403	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	443.2649
Annotation	Unknow
Peak:m/z	Relative Intensity
58.64168	0.4
59.01248	100.0
60.01588	0.6
61.98696	0.6
71.49472	0.8
83.07581	0.5
85.02832	0.7
132.34314	0.4
169.55977	0.4
209.11652	0.9
231.80838	0.5
291.19687	2.4
302.11026	0.5
309.20657	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	443.2651
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	100.0
60.01570	2.0
61.98690	12.1
71.01254	2.0
71.49753	2.0
71.50127	1.4
78.95766	3.1
84.66322	1.6
85.52467	1.4
86.56686	1.4
89.31130	1.4
95.40083	1.5
96.95879	7.2
96.96805	1.8
99.92449	2.7
103.18388	1.4
115.91959	1.8
116.92702	6.5
117.92738	1.5
123.04443	1.9
129.09096	10.4
159.81703	1.7
165.12746	1.8
173.64139	1.5
209.11769	2.3
213.14838	4.5
241.14409	21.2
242.14725	3.0
245.53075	1.5
245.87460	1.5
253.14383	3.5
259.13327	4.0
277.14261	7.2
285.05637	1.9
291.19690	4.2
309.20459	2.9
316.19156	1.5
341.11084	1.7
349.18915	1.6
379.93176	1.7
399.42575	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	443.2647
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	100.0
61.98701	3.8
65.56628	2.1
65.81718	2.0
69.99741	9.7
73.02847	2.4
96.95941	2.5
132.76260	2.3
140.78763	1.8
209.11832	2.6
335.70602	2.2
341.10873	2.2
399.28879	4.6
405.57620	2.1
437.92181	2.1
443.28360	12.3
444.28369	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2651
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42027	0.8
59.01250	100.0
60.01571	1.0
61.98678	1.5
70.26324	3.9
71.01279	1.5
72.99183	1.9
75.00750	2.2
78.95786	6.0
79.39466	0.8
81.98341	0.9
87.00736	1.5
89.02333	2.0
91.03883	5.1
96.95898	2.1
96.96841	11.0
97.02817	3.4
100.27856	1.0
106.87302	1.0
109.06475	1.1
111.08033	3.5
124.55138	1.1
129.09091	1.9
149.09685	0.8
158.03636	0.9
165.12766	2.5
165.93361	1.0
169.12204	1.1
183.13896	1.1
184.94710	0.9
197.11736	6.8
203.95111	1.0
207.10216	3.5
211.13318	1.4
241.14467	1.9
245.02615	4.2
291.19656	6.8
294.24377	0.9
295.22873	4.9
309.20679	14.5
310.21201	1.2
335.22171	3.9
342.39761	0.8
353.23349	1.2
383.13092	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	443.2648
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36391	0.6
59.01250	100.0
60.01580	1.3
61.98689	0.8
69.21481	3.0
69.21902	2.7
71.01237	0.9
72.99195	1.2
78.89935	0.6
89.02320	1.2
91.03901	2.6
105.06814	0.6
111.08079	2.0
127.11121	0.7
129.09032	0.7
129.64993	0.6
165.12802	0.9
165.95401	0.7
181.79836	0.6
197.11737	7.1
211.13312	1.3
223.13351	1.2
227.12907	0.8
227.95959	0.7
233.19595	0.7
241.14499	1.3
263.20099	0.8
277.14630	0.7
291.19629	4.7
295.22784	5.0
309.20670	9.9
310.21045	1.3
317.21375	0.9
335.22321	4.2
347.22232	0.9
353.23483	2.1
353.91418	0.7
443.24069	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1922
Annotation	Mitoxantrone
Peak:m/z	Relative Intensity
53.90274	0.5
55.01757	1.7
57.03321	1.8
58.00461	1.4
59.01252	33.3
70.99458	1.0
70.99781	0.6
71.01253	27.7
72.99181	2.0
73.02824	3.4
83.01253	3.8
85.02821	9.1
87.00745	0.8
89.02316	14.5
95.01266	2.3
99.00783	1.8
101.02331	17.3
107.81747	0.6
111.00765	0.6
111.04372	1.1
113.02341	9.3
119.03384	7.3
123.08043	0.8
124.55681	0.5
131.03345	0.7
161.04427	1.3
171.11638	0.7
176.20442	0.6
189.12793	1.8
192.83592	0.6
237.14848	1.1
239.52846	0.5
314.69235	0.5
443.19196	100.0
444.19562	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	443.1017
Annotation	Unknow
Peak:m/z	Relative Intensity
56.97906	18.6
59.01244	2.7
71.01245	2.1
71.51699	1.1
82.99492	2.0
85.02822	1.3
87.00739	1.7
89.02316	1.1
89.03833	9.0
89.31027	0.8
99.00710	0.7
100.07915	0.6
101.02327	1.3
109.02835	4.3
113.02330	1.0
114.05502	1.6
115.05429	1.7
123.02633	37.4
124.02932	1.3
133.01079	1.1
133.06480	1.7
133.97060	0.8
147.02629	2.9
148.03412	1.0
149.04207	64.0
150.04559	3.9
159.04512	0.8
167.01646	6.8
193.03209	100.0
194.03526	5.7
219.09859	1.2
249.06255	2.0
309.97415	0.8
330.74005	0.8
361.18710	2.6
383.16858	3.8
443.10110	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.0982
Annotation	Unknow
Peak:m/z	Relative Intensity
55.74047	0.5
58.02840	2.1
59.01249	27.4
63.80899	0.4
65.56268	0.5
69.15096	6.2
70.13297	0.5
70.49425	0.5
70.96157	0.6
71.01245	3.1
72.99178	0.7
73.02815	1.3
74.02317	0.7
75.00753	0.7
83.04881	0.6
85.02805	1.1
89.02325	1.4
93.03358	0.8
98.01083	1.2
98.06002	0.6
101.02305	1.2
103.01768	0.7
110.70821	0.6
112.07622	1.2
113.02322	0.8
117.03336	8.8
119.03448	0.5
119.04906	1.8
121.02829	0.8
129.10231	3.9
131.01289	4.5
133.02855	1.0
133.05232	0.9
134.06023	1.1
139.08717	0.6
145.06464	0.6
149.02287	0.6
155.08167	15.7
161.02295	1.2
163.03836	1.0
173.02373	4.0
175.00267	14.2
176.00563	0.7
177.01851	0.6
180.06540	2.1
193.01358	0.8
198.02005	0.6
237.05771	0.6
249.05585	0.8
249.16037	1.5
265.04987	1.0
267.06702	0.7
269.04468	0.8
275.17572	1.7
281.04480	1.4
282.05280	0.6
285.03821	0.7
293.04535	100.0
294.04883	9.9
295.06158	1.6
297.04068	1.2
297.07568	1.0
306.05032	0.9
309.04047	0.8
311.05417	0.8
321.07217	0.6
323.05679	3.0
324.05365	0.6
325.07138	0.9
335.05576	2.1
341.02838	0.7
341.18567	1.3
353.06668	3.9
358.21283	2.5
365.06628	0.9
383.07697	55.5
384.08096	6.2
385.17398	1.0
400.22238	1.6
402.20328	3.3
407.07700	0.6
443.10291	6.3
443.18893	2.1
444.21375	31.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.0943
Annotation	Unknow
Peak:m/z	Relative Intensity
56.53666	1.2
59.01252	26.2
59.24314	1.2
61.98704	100.0
68.01281	2.8
71.01273	2.6
71.52683	2.4
85.02799	1.4
101.02297	3.0
105.04471	2.0
110.02338	2.1
113.02272	2.1
113.13690	1.4
131.46571	1.5
147.04379	4.5
158.06032	1.4
161.04469	4.0
187.07361	1.4
203.05498	2.9
230.06702	7.1
266.87296	1.4
363.14676	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	443.0943
Annotation	Unknow
Peak:m/z	Relative Intensity
57.04512	1.5
59.01250	48.1
60.01569	1.6
60.18846	1.4
61.98701	100.0
62.93075	1.5
68.01265	3.8
68.97939	1.4
69.59030	7.8
69.59439	3.2
71.01246	17.8
73.02817	5.5
75.60094	1.7
83.01265	3.3
85.02812	5.2
87.00700	1.4
89.02342	8.0
97.02824	2.0
98.20200	5.1
99.00787	2.3
101.02308	10.9
113.02341	4.2
117.99539	1.5
119.03388	5.8
133.02841	2.3
135.04405	11.7
143.03412	1.9
147.04395	3.2
149.04202	4.6
161.04457	4.4
188.05501	2.0
193.03212	5.1
203.05528	2.8
230.06570	8.1
276.08569	1.8
285.25711	1.6
289.78683	1.5
311.05246	1.6
399.20013	1.5
443.09821	6.5
443.18793	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	443.0942
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01258	27.5
61.15191	2.2
61.71769	2.3
61.98703	100.0
67.27274	2.2
68.01276	4.2
71.01254	8.3
81.30067	2.3
85.02816	4.2
98.19777	5.0
110.02341	3.0
113.02317	2.2
147.04349	4.0
156.54466	2.3
161.04506	3.4
177.05557	2.6
203.05565	4.0
205.76584	2.7
230.06624	12.2
259.10855	2.4
276.08783	2.8
307.01825	2.3
353.06577	2.5
443.24753	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	442.2961
Annotation	Yibeissine
Peak:m/z	Relative Intensity
51.28606	0.8
51.50175	1.0
52.09666	0.7
58.02850	5.6
59.01244	1.5
69.42861	7.2
72.00779	5.1
73.40998	0.9
74.02351	2.2
77.47353	0.8
81.55924	0.7
90.32789	0.8
93.03339	6.1
98.19791	0.9
106.04108	2.0
107.04910	12.0
119.04919	19.6
120.05303	0.8
136.07542	2.2
163.03908	21.8
167.33476	0.9
172.31131	0.9
180.06572	77.8
181.06892	3.8
290.24966	1.3
363.27667	1.0
398.30704	8.5
442.29605	100.0
443.29993	16.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.1615
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	1.0
59.01248	6.4
61.98695	7.6
70.83987	2.1
71.01248	3.1
85.02811	6.3
89.02335	1.6
96.95893	1.0
101.02332	1.7
106.24821	1.0
111.00723	2.1
113.02331	1.8
129.01779	1.8
133.02837	1.6
150.04173	1.5
167.06052	39.8
168.06400	2.5
169.03993	1.6
181.07617	2.9
182.06183	1.0
194.04697	1.0
195.05550	2.8
197.07109	4.6
204.10075	1.0
209.07138	29.0
225.06609	1.5
240.07755	1.4
268.07242	2.6
278.12967	2.9
280.14438	8.6
292.14499	4.2
299.05112	1.1
308.14084	3.2
310.15622	21.4
320.14005	41.5
321.14301	5.3
323.05273	1.3
338.15094	11.3
362.15082	2.8
382.14053	100.0
383.14426	12.1
394.14056	2.3
406.14209	2.9
443.23019	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2855
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47054	3.2
53.73741	3.5
59.01252	28.6
61.98692	4.1
65.22216	3.8
69.79937	19.4
71.01251	22.0
73.02807	7.1
75.00740	10.3
85.02811	8.2
89.02294	6.9
90.34225	3.4
101.02339	9.8
108.03833	3.1
113.02332	10.9
143.43332	3.4
146.66647	3.2
216.43652	3.8
223.25867	3.4
254.21739	4.0
275.23599	5.5
279.23251	100.0
280.23645	10.7
284.71750	3.5
293.24850	26.5
294.25089	5.1
303.23160	3.8
321.24252	13.9
333.24255	19.6
383.29141	10.1
468.01822	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	441.2854
Annotation	Unknow
Peak:m/z	Relative Intensity
56.06582	1.7
59.01250	24.8
62.81163	2.0
62.87015	1.9
71.01250	23.5
71.52169	1.7
73.02822	7.9
73.78899	1.8
75.00777	4.0
83.01279	2.8
84.13181	1.9
85.02816	5.2
88.92823	1.6
89.02324	6.4
95.01231	2.1
101.02313	9.3
113.02347	15.0
114.94903	1.5
127.19102	1.5
149.97394	1.8
172.23871	2.0
180.85544	1.9
191.57948	1.6
210.65999	2.1
220.67068	1.6
263.23767	2.7
275.23776	4.3
279.23285	100.0
280.23663	10.8
293.24863	36.7
294.25211	3.1
303.23224	5.0
305.24930	2.3
321.24319	14.1
333.24231	13.4
351.25354	5.5
382.03644	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2852
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50875	1.8
59.01259	2.0
59.64875	1.8
69.72736	13.0
70.69436	1.9
81.03377	2.2
85.02835	2.2
87.32179	1.7
96.95856	2.1
131.03366	3.0
161.04459	18.1
163.07564	7.6
274.55563	1.8
279.23279	100.0
280.23602	11.1
323.44177	2.1
407.17737	2.2
441.25571	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	441.2492
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42788	1.9
51.67645	1.6
56.72945	1.6
57.03311	7.0
58.00460	4.0
59.01247	17.9
65.71996	1.6
69.03318	2.6
70.83017	1.8
71.01252	5.8
71.37006	4.2
73.02808	6.8
85.02799	2.0
85.94958	1.7
87.00754	17.8
89.02310	5.4
92.59159	1.7
99.00745	2.1
101.02280	1.9
109.06478	2.5
111.08030	8.9
115.35059	1.8
123.08125	2.2
127.07552	19.1
129.01805	2.4
135.04425	3.0
139.12433	1.6
141.09149	13.7
147.02797	2.2
153.09103	5.9
165.12759	73.5
166.13069	6.2
175.07472	2.7
179.14339	1.6
181.12314	2.3
183.13831	13.3
191.10623	2.5
195.10158	4.6
195.13737	2.0
209.11745	7.7
213.11266	1.6
213.14932	12.3
217.15788	1.7
221.11719	1.8
223.13344	6.2
227.12859	15.8
235.13187	2.0
241.14432	36.8
242.14722	2.7
253.14470	8.5
259.13391	12.7
277.14352	14.1
289.21426	3.0
293.21213	100.0
294.21512	11.9
315.19647	9.4
317.21149	1.9
321.20691	4.2
326.54422	2.1
331.19177	4.5
333.16864	3.8
333.20712	58.7
334.21088	8.2
345.20682	21.9
346.20972	2.3
351.21805	16.0
375.21725	2.7
387.21591	4.3
405.22717	6.6
441.28564	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	441.2492
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14456	1.3
57.03315	5.0
58.00454	4.8
58.10828	1.3
59.01247	12.6
67.11868	1.2
67.76672	1.3
68.59017	1.4
69.03315	2.4
71.01257	3.1
71.19154	2.3
71.19484	1.8
73.02820	3.9
74.10928	1.3
75.00745	1.5
75.52488	1.3
82.01786	1.3
83.01244	1.5
85.02821	2.2
87.00754	21.1
89.02303	4.1
97.06492	1.7
109.06435	1.8
111.00775	2.2
111.08039	4.8
127.07536	22.9
136.16333	1.3
141.09105	5.6
147.02917	7.4
151.11165	1.8
153.09122	4.0
165.12758	44.2
166.13072	3.1
181.12178	2.4
183.13724	7.3
193.73941	1.4
195.10245	2.0
195.13763	2.6
209.11792	4.0
211.13225	1.6
213.14876	15.5
221.11752	2.1
223.13293	6.5
227.12880	10.9
235.13274	3.6
241.14420	55.0
242.14769	2.7
253.14452	11.0
259.13333	17.0
260.13705	1.4
271.20758	1.7
277.14471	17.1
278.14896	2.4
289.21756	2.1
293.21204	100.0
294.21576	12.8
315.19537	8.3
317.21472	2.4
321.20630	2.5
331.19095	1.6
333.20697	44.1
334.20929	4.3
345.20639	10.6
346.21207	1.9
351.21649	12.3
352.22430	1.6
359.35095	1.5
369.20483	2.0
387.21860	3.4
405.22961	3.8
406.23575	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74811	2.4
55.01757	3.0
57.03323	3.5
59.01247	84.3
59.50266	2.0
69.38267	17.4
71.01251	48.2
72.99196	5.4
73.02824	19.8
75.00771	2.6
83.01269	15.4
85.02828	21.9
89.02316	7.6
95.01221	3.9
97.02792	2.6
98.19859	3.9
99.00747	8.8
101.02321	53.0
111.00757	3.2
113.02329	18.1
119.03443	2.9
125.02378	3.2
127.12934	2.2
133.06451	4.7
136.91071	1.9
143.03355	3.3
145.02859	2.6
159.02954	5.0
161.04451	17.9
235.11823	91.7
236.12317	4.7
259.52084	2.0
381.17654	100.0
382.18121	13.4
441.13721	2.8
441.19232	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	441.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01736	3.6
55.69511	3.0
59.01244	79.2
61.98682	4.8
71.01250	41.6
71.49757	4.4
72.99155	3.8
73.02815	16.7
75.00723	4.4
75.78780	3.0
80.35961	3.5
83.01250	13.4
83.04889	6.3
85.02824	26.0
87.00760	6.2
87.85734	3.2
89.02319	8.9
98.94943	3.1
99.00742	5.0
101.02314	51.8
105.62879	2.8
105.77509	3.0
113.02334	21.7
119.03423	3.4
119.04893	3.1
125.02312	11.4
127.03931	3.8
135.08066	3.9
161.04465	15.9
163.03842	7.5
175.14824	3.0
202.09927	14.9
217.12251	20.4
235.11794	93.5
236.12132	6.8
264.97708	3.6
381.17618	100.0
381.22321	6.4
382.17984	8.7
441.18533	5.1
464.78717	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	441.1892
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03327	1.3
59.01245	9.7
61.98714	0.6
63.83174	0.5
69.44939	4.4
71.01243	4.0
72.99169	0.6
73.02811	1.5
78.94567	0.6
78.95771	20.2
83.01279	1.5
85.02821	6.6
89.02327	1.0
96.96843	2.1
101.02316	2.8
111.00784	1.5
113.02313	1.0
114.05515	1.5
115.00258	0.7
128.52792	0.5
129.01811	1.9
134.98477	0.6
143.10669	0.6
147.03091	0.7
150.97932	0.6
152.99484	34.0
171.00548	2.1
175.02466	0.7
183.13824	21.1
184.14166	1.1
191.01894	0.6
195.13831	19.2
196.14192	1.3
205.03394	1.3
211.13297	1.0
213.14896	100.0
214.15227	7.1
221.30682	0.6
223.04565	4.3
227.03197	3.8
245.04190	0.9
251.11230	0.6
293.08463	0.6
293.12274	0.5
349.14334	1.4
367.15079	0.6
381.06818	0.7
381.15558	0.8
426.12335	0.6
441.18884	62.7
442.19156	6.8
442.28531	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1763
Annotation	Lusitanicoside
Peak:m/z	Relative Intensity
54.91166	1.3
55.01740	2.9
57.03314	3.6
58.00460	3.7
59.01250	97.0
71.01253	62.2
72.01561	1.8
72.99167	5.8
73.02808	5.7
77.97559	1.3
78.12161	1.5
81.03338	1.5
83.01259	4.2
85.02827	15.1
87.00745	3.2
89.02312	64.1
94.57557	1.4
95.01247	4.1
98.19743	2.1
99.00742	1.9
99.04379	1.8
101.02322	48.9
102.50826	1.4
109.02856	9.8
109.78104	1.3
111.04448	1.5
113.02326	27.4
118.97984	1.5
119.02580	2.6
119.03391	34.7
121.06404	1.5
125.02320	2.0
125.06035	1.6
128.60788	1.3
131.03406	2.0
133.06471	16.1
135.04358	1.9
136.05197	1.8
137.05989	2.0
139.07550	17.2
143.03362	6.0
149.04434	2.1
149.05937	2.4
157.60315	1.8
161.04448	9.2
169.08609	3.9
179.05548	9.2
204.11525	2.4
205.12247	7.5
217.12257	4.8
218.12015	1.6
235.13268	3.7
261.11356	2.0
330.13208	32.1
331.13895	16.0
381.05978	1.7
397.18631	7.9
441.08890	8.8
441.17596	100.0
442.17816	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	441.1401
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	0.7
57.03319	1.1
58.00478	0.3
59.01249	100.0
60.01590	1.1
69.03343	0.2
71.01252	9.8
71.50513	0.2
72.99194	0.6
73.02817	3.9
75.00750	0.4
83.01256	1.9
85.02819	6.0
85.99955	0.2
87.00755	0.8
89.02321	1.1
89.05981	0.7
95.01273	0.8
97.02852	0.2
99.00765	1.6
101.02318	8.9
102.02703	0.2
111.00825	0.3
113.02329	4.2
114.05506	0.3
121.02839	3.4
125.02402	0.5
129.01860	0.2
143.03447	0.6
159.02899	1.0
161.04475	5.2
162.04848	0.2
165.01811	0.3
166.02405	0.2
190.19684	0.2
191.02020	0.2
205.03511	0.2
233.10269	1.6
251.11324	14.9
252.11636	1.0
293.12427	9.0
294.12930	0.7
355.21158	0.2
381.11502	0.2
381.16006	0.2
416.43893	0.2
441.14166	2.3
441.20761	0.5
442.14645	0.3
464.53299	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.2191
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01238	7.3
71.01247	3.8
71.50201	1.6
72.99182	1.7
78.06046	1.1
78.95759	2.3
86.97659	1.2
87.00739	2.2
91.20472	1.3
92.04932	14.1
95.46540	1.0
96.95892	1.2
101.02306	1.2
105.01832	1.5
111.08022	1.8
118.02870	4.1
118.64119	1.1
120.04432	3.4
127.07552	2.9
128.03429	9.7
131.03662	26.0
132.04443	100.0
133.04793	3.9
141.09126	1.4
144.04445	21.5
145.10591	1.1
153.09106	1.3
158.05978	2.5
165.12743	9.8
169.08540	2.6
172.06332	8.1
183.13824	3.1
199.80489	1.2
209.11699	1.5
209.15384	1.7
210.14973	6.0
211.13283	3.0
212.16487	22.5
213.14903	3.2
213.16785	1.5
219.14012	1.4
223.13370	2.2
224.16473	7.0
225.47762	1.2
227.12817	4.2
236.16504	31.2
237.16830	2.8
238.18037	8.7
241.14359	7.4
253.14476	1.9
259.13583	1.8
293.21243	14.4
294.21649	1.4
306.17871	1.3
315.19757	3.0
332.19293	2.2
333.20529	8.4
345.20392	1.8
350.20541	1.6
351.21100	4.7
352.55051	1.3
362.20639	9.3
369.21796	79.5
370.22174	10.2
413.20779	65.1
414.21194	8.7
440.21921	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	440.2191
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	1.0
58.36279	0.8
59.01248	7.5
61.98699	1.9
69.50568	0.8
71.01247	2.1
71.30367	0.9
72.99171	1.3
73.02818	1.7
75.00745	1.1
78.95780	1.4
83.01302	0.8
87.00750	1.4
92.04932	13.2
97.06495	0.9
101.02299	0.8
105.01820	1.7
111.08018	1.3
116.97427	0.8
118.02869	3.1
118.42357	0.7
120.04439	2.8
123.08031	0.9
127.07559	2.4
127.73004	0.7
128.03438	10.0
131.03662	24.6
132.04445	100.0
133.04803	3.7
141.09094	1.5
144.04459	22.3
145.05150	0.8
146.06010	0.8
152.99487	2.3
157.05278	1.6
158.06029	3.8
165.12761	10.9
169.08633	3.2
170.08922	1.6
172.06310	6.8
179.14258	0.9
183.13814	3.1
185.66167	0.7
191.10596	0.8
195.13840	0.9
209.11772	2.5
209.15456	1.5
210.14975	7.3
211.13277	2.7
212.16516	22.6
213.14922	1.8
213.16835	1.6
223.13332	2.1
224.16556	6.4
227.12791	4.0
236.16528	33.5
237.16830	3.4
238.18057	6.6
238.97787	0.7
241.14441	4.8
253.14401	1.8
259.13434	2.2
277.14404	2.1
280.15445	1.0
293.21201	11.9
294.21674	1.4
295.77225	0.8
315.19290	1.9
321.20822	0.9
331.19199	1.9
332.19540	1.6
333.20544	7.9
334.20905	1.7
345.20801	2.4
350.20624	1.8
351.21176	5.7
361.20233	1.2
362.20602	7.1
363.21268	0.8
369.21786	71.2
370.22192	8.6
413.20789	63.7
414.21152	10.1
440.21826	10.9
440.27725	1.0
441.22391	1.7
441.28372	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	440.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
56.10214	0.8
59.01238	2.8
61.95094	0.9
71.01253	1.0
71.42126	2.2
72.99163	1.1
74.51620	0.8
78.95760	1.0
87.00746	2.8
92.04910	6.6
118.02890	1.9
120.04412	1.7
124.49381	0.9
127.07542	4.8
131.03651	31.8
131.52061	1.0
132.04445	81.7
133.04797	3.8
144.04451	10.4
145.94861	1.0
147.02881	1.2
157.05254	1.9
158.05991	1.9
165.12784	2.0
172.06343	4.5
173.06883	1.4
185.08368	1.2
189.06665	1.8
205.12283	1.1
210.14931	2.7
211.13333	9.2
212.16492	5.1
213.14903	3.5
223.13306	5.3
224.16508	1.3
225.11263	1.5
236.16495	11.7
238.18022	2.4
241.14436	10.2
253.14400	2.4
259.13278	2.5
277.14459	2.1
293.21204	17.9
314.17621	2.4
315.19366	1.0
326.17441	5.5
327.17923	1.5
333.20645	9.7
345.20563	2.1
351.21213	4.2
369.21768	72.2
370.22083	10.2
413.20792	100.0
414.21075	14.6
444.96198	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2697
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00467	3.1
59.01249	29.7
61.98706	3.9
65.52040	2.9
71.01245	23.7
71.51156	4.9
73.02825	5.0
75.00746	10.2
79.63678	3.1
83.08060	2.8
85.02834	6.2
89.02312	3.2
94.38917	3.1
101.02315	11.8
102.63123	3.2
113.02303	15.4
189.68129	4.0
273.22186	5.0
277.21686	100.0
278.22119	11.0
289.21960	3.2
291.23239	21.1
301.21835	4.3
303.23117	4.3
319.22800	10.8
331.22809	19.0
332.23065	4.4
349.23853	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	439.2696
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01238	14.8
61.91324	5.3
70.33349	4.2
71.01254	33.3
71.05701	6.1
71.06040	6.4
71.28632	4.6
74.43456	5.4
75.00747	5.5
78.98454	8.1
85.02803	10.3
85.76263	5.1
89.02313	7.1
111.47364	5.3
113.02320	14.2
119.68454	5.2
161.06078	5.1
161.51561	4.8
176.45050	5.2
277.21686	100.0
278.21921	7.5
319.22742	14.3
331.22784	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	440.1562
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39722	0.6
51.97567	0.6
51.97817	0.6
55.01760	2.4
57.03323	1.9
58.00459	5.1
59.01250	100.0
60.01587	1.6
62.77328	0.7
68.99702	0.8
69.03332	8.6
69.76624	3.6
71.01254	74.9
72.01575	1.2
72.99181	7.1
73.02818	30.3
77.57957	0.6
81.03330	5.8
83.01262	7.3
85.02823	29.5
86.03191	0.9
87.00739	4.2
87.04417	0.9
89.02316	37.5
95.01275	3.5
97.02820	11.7
97.03403	0.8
99.00758	4.0
99.04386	0.8
101.02323	54.9
102.02663	1.5
103.03888	40.9
104.04245	0.7
109.02840	1.0
113.02319	9.0
115.03934	1.7
119.03392	19.7
119.04881	1.5
125.02334	43.1
126.02691	1.3
127.03922	5.4
131.03648	7.8
135.04466	1.3
143.03397	7.5
145.01500	0.6
145.04962	7.8
161.04472	7.7
163.06026	36.2
164.06378	1.2
165.72505	0.6
175.03960	2.1
187.06036	0.7
188.05609	0.8
189.05583	0.9
205.07114	2.9
229.07217	1.7
247.08211	14.7
289.09283	1.3
303.04340	0.7
307.10352	24.8
308.10812	1.6
323.77426	0.6
429.12741	0.7
440.15414	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.27
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	2.9
59.01246	27.9
71.01251	23.4
73.02813	7.4
73.11025	1.5
75.00738	6.4
75.16640	1.4
76.61714	1.4
78.85879	1.5
83.01256	2.3
85.02816	6.1
89.02312	4.4
95.01255	2.7
96.95878	3.0
98.20574	4.5
101.02306	9.1
113.02320	17.1
119.03407	1.6
125.06028	2.3
139.07487	2.1
145.28384	1.6
147.02858	2.0
151.82080	2.0
158.99947	1.5
273.22174	4.8
277.21716	100.0
278.22156	11.0
291.23318	25.2
292.23666	2.9
301.21698	5.3
319.22809	15.0
331.22800	14.3
332.22797	1.9
349.23865	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	439.2696
Annotation	Unknow
Peak:m/z	Relative Intensity
53.89046	2.9
59.01249	5.2
64.44214	3.2
69.54855	5.5
69.55263	14.5
73.02821	3.9
78.30452	2.7
85.02815	3.7
98.50900	3.2
98.90234	3.4
117.57251	3.7
149.05969	13.9
161.04454	18.7
277.21692	100.0
278.21979	8.6
439.28189	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	439.2697
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03308	1.5
59.01247	4.8
66.79189	0.7
69.03324	0.9
70.41348	1.8
70.41711	1.6
71.01218	1.4
81.03322	1.4
83.04900	1.7
95.04890	3.0
96.95923	0.9
96.96850	0.9
97.02776	0.8
97.06448	3.0
102.05453	2.0
109.06505	4.0
109.07100	0.7
111.08054	0.8
123.04398	3.7
123.08047	4.1
125.09612	7.4
128.03430	55.9
128.57898	0.8
129.03775	14.6
130.03918	0.8
130.08635	2.8
135.08028	0.8
137.09636	1.5
139.11157	1.2
145.43120	0.8
146.04445	1.6
149.09705	0.9
163.11176	5.2
165.12737	3.2
181.12120	1.1
183.13826	0.9
185.11777	2.5
193.77840	0.8
195.13808	0.9
203.14281	0.9
207.10220	3.1
209.11781	1.4
211.13309	3.2
221.15344	4.7
221.18996	1.1
222.15828	0.9
223.13263	1.4
225.11185	2.7
226.12044	8.5
231.17412	1.3
233.15404	1.4
235.13388	1.0
237.14917	2.1
247.13297	1.8
249.14844	2.6
251.16321	1.6
263.16513	1.7
265.18005	1.7
275.16452	1.2
275.20041	1.5
277.17905	1.1
310.20941	2.2
329.24841	11.2
330.25342	2.2
337.21692	1.5
347.25848	4.7
348.26129	1.1
355.22742	6.2
373.23834	20.3
374.24094	3.2
385.23639	1.4
391.24890	29.9
392.25180	4.1
403.25034	5.7
409.25940	100.0
410.26285	14.0
421.25906	41.4
422.26331	6.6
439.15347	2.3
439.26984	21.9
440.27060	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	439.1065
Annotation	Unknow
Peak:m/z	Relative Intensity
54.72615	1.2
59.01244	6.1
61.98685	2.5
68.09763	1.3
71.01238	2.7
71.52937	1.3
78.95750	3.8
79.94236	1.3
82.22314	1.3
85.02818	5.6
87.00745	9.9
93.03326	6.0
96.95877	3.6
96.96802	2.6
99.00762	3.3
125.02344	1.9
133.01059	6.4
147.02667	3.3
150.41936	1.2
158.46094	1.3
159.02667	3.7
159.92133	1.3
161.04488	8.4
179.05540	9.7
185.04306	1.9
187.05783	4.6
189.07356	61.2
190.07704	5.4
215.05296	51.9
216.05701	4.6
233.06363	58.8
234.06653	3.7
259.04306	4.8
277.05374	100.0
278.05634	10.8
319.62201	1.8
380.28580	1.4
439.10635	73.7
440.10849	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	439.0869
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82567	0.4
61.43534	0.4
66.99632	0.3
71.26238	0.5
71.26548	0.5
78.95772	55.1
79.88654	0.4
82.91775	0.4
96.95909	22.0
96.96835	100.0
98.79199	0.3
100.70683	0.3
132.63046	0.3
144.84303	0.4
257.99432	0.4
291.44647	0.4
439.08475	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.2494
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	0.7
71.50830	0.4
75.33295	0.2
78.95779	0.3
82.02847	0.8
83.56603	0.2
88.98672	0.3
95.04893	0.4
95.39307	0.2
97.06470	0.6
97.36304	0.2
102.05491	2.4
106.89114	0.2
109.06477	0.4
116.05923	0.2
123.08053	0.4
125.09605	0.9
128.03426	100.0
129.03796	2.6
136.08972	0.3
144.48978	0.2
146.04485	2.7
165.12718	0.5
174.01740	0.3
185.11713	0.3
192.50989	0.3
207.10257	0.3
209.11766	0.4
211.13390	0.5
212.87273	0.3
213.86407	0.2
221.15402	0.5
226.12042	0.9
241.82991	0.3
247.13255	0.3
247.20480	0.3
249.14999	0.2
265.18222	0.4
291.19693	1.4
309.20758	3.5
310.21198	0.4
329.24677	1.5
337.21725	0.3
347.25903	0.7
355.22903	0.6
373.23782	2.6
391.24878	3.7
403.24866	0.5
409.25934	11.5
420.24280	0.6
421.26019	4.8
438.27570	0.5
439.15619	0.3
439.27191	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	438.198
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82961	0.5
59.01239	7.5
60.90734	0.5
61.98701	100.0
64.99599	0.5
65.00542	0.6
70.09785	0.6
70.50333	0.9
70.50669	1.1
70.98606	0.6
71.01259	1.6
73.02845	0.8
78.95780	1.6
85.02781	0.6
85.70461	0.6
89.02312	0.5
91.70206	0.6
96.95907	1.1
96.96796	0.6
98.40486	0.5
101.02334	0.8
115.00239	0.6
152.99506	1.2
163.89072	0.6
211.13377	2.8
220.57507	0.6
227.02901	0.5
232.13274	0.6
285.03986	0.8
337.03555	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.1402
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	100.0
62.52544	0.7
69.46088	0.8
69.60190	5.1
70.64198	0.7
85.02824	1.5
91.67522	0.7
103.33006	0.6
138.96973	1.0
140.55925	0.8
144.04558	0.9
147.04439	6.2
158.06087	1.2
195.20836	0.8
196.06229	0.9
206.66663	0.9
258.47391	0.7
276.08795	3.9
279.47141	1.0
366.84183	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.083
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33850	1.3
54.52213	1.2
56.38777	1.3
57.03302	1.5
59.01249	14.8
61.98698	3.1
65.00176	1.7
71.01254	3.9
71.50673	2.0
73.02818	1.7
78.95763	1.6
85.02815	3.7
87.99168	1.3
96.95882	3.3
101.02283	2.4
107.01292	1.4
109.02814	5.5
113.02314	2.1
114.05537	1.4
128.03352	1.5
133.02847	33.6
135.00755	1.6
145.06084	5.8
149.02347	1.9
151.00261	3.8
152.99446	1.7
161.02339	7.4
163.00255	12.1
175.02470	1.9
175.03859	8.2
176.01021	1.7
177.01843	4.2
199.03918	2.5
201.01883	11.0
202.99826	7.6
211.13342	1.8
217.04909	1.7
225.05583	3.1
227.03398	2.6
233.04398	3.4
238.40468	1.5
241.05148	1.7
245.00966	2.3
251.03432	1.7
253.05049	4.0
255.02946	6.6
257.04483	6.2
265.05142	1.5
267.03040	1.5
269.04544	3.9
275.05612	3.4
285.04034	78.1
286.04391	9.3
293.04553	5.4
295.02536	1.6
297.04037	100.0
298.04477	9.4
301.03613	11.1
302.03653	2.2
309.04056	9.0
310.04446	2.4
311.05597	31.3
312.06067	3.6
313.03458	2.5
321.03757	2.3
322.04803	1.9
323.05582	2.9
337.03525	47.7
338.03967	4.7
339.05093	2.3
345.46826	1.6
351.05115	7.9
355.04553	6.8
365.06622	2.5
367.04288	3.0
367.08240	5.2
383.07736	11.6
393.06171	10.4
411.07181	90.2
412.07602	10.9
456.90045	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.2655
Annotation	1-O-hexadecyl-2-acetyl-sn-glycero-3-phosphate
Peak:m/z	Relative Intensity
55.60109	0.8
58.02837	1.8
59.01244	4.1
61.00409	1.0
61.98711	1.2
69.03316	1.1
69.26164	8.5
71.01246	1.5
72.02977	0.8
72.99171	0.9
74.02344	2.0
78.95758	2.0
82.02821	1.0
84.04426	2.6
87.04447	1.2
88.98685	3.4
89.02383	0.9
96.95898	1.1
97.02853	3.0
97.06474	1.7
101.07124	2.6
104.88947	0.8
107.02390	1.2
109.03982	6.0
109.06468	1.2
112.69547	1.0
120.55240	1.0
125.03453	1.8
127.05024	38.9
128.03424	33.7
128.05374	1.1
145.06090	36.8
146.04384	0.8
146.06390	1.2
171.10135	1.1
211.13326	3.5
245.04665	0.8
247.20792	1.1
249.19612	1.7
291.19745	3.0
309.20941	1.4
311.19833	0.9
393.23032	1.7
401.23306	1.7
419.24948	9.7
420.25153	2.3
437.26541	100.0
438.26889	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	437.2542
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07872	1.6
57.03332	1.7
57.47995	1.8
59.01248	12.9
67.01749	2.7
71.01254	13.7
71.06995	3.6
72.99171	3.0
78.75957	1.9
78.95770	7.7
80.96194	1.6
83.01261	4.9
85.02818	45.9
87.00749	55.5
111.00787	2.3
112.98708	3.0
113.02345	2.5
115.00257	38.8
123.81013	2.1
129.01810	10.7
135.88068	1.8
152.99478	8.5
154.99948	2.7
157.01331	60.5
175.02382	23.6
210.53592	2.2
222.70067	2.3
278.01788	1.9
279.23273	100.0
280.23590	10.2
326.21375	1.9
437.25409	52.9
438.25833	9.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03292	1.0
58.00455	2.7
59.01248	100.0
60.01582	1.7
61.98714	1.0
69.84370	0.9
71.01250	39.8
71.81071	0.9
72.01602	1.1
72.99179	4.4
73.02818	1.9
80.09431	0.9
83.01241	2.2
85.02827	9.2
87.00764	2.7
89.02313	49.8
90.02633	1.3
95.01264	2.7
101.02317	16.5
113.02325	15.2
114.02632	1.4
119.03385	18.9
120.99525	1.4
129.01859	1.6
131.03418	2.2
143.03389	4.7
149.04419	2.1
151.35567	1.0
161.04440	5.4
179.05501	11.7
198.12656	1.0
229.45439	1.5
345.15564	9.0
437.23596	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	436.2423
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	21.9
67.01746	4.0
69.88250	18.1
71.01250	20.3
71.16813	3.3
72.99179	6.0
73.98112	2.9
78.95773	74.7
80.96186	31.7
82.68476	2.8
83.01236	5.5
85.02825	54.1
86.03148	11.7
87.00750	73.2
88.01099	10.9
88.60292	3.3
93.33808	3.2
96.96841	4.8
98.97207	3.4
111.00797	3.8
112.98627	3.5
115.00256	56.6
116.00588	11.0
129.01837	14.0
130.02145	4.6
152.99475	59.5
153.99849	22.4
154.99922	63.4
156.00218	14.6
157.00151	4.1
157.01331	56.1
158.01634	20.2
175.02417	30.4
176.02715	12.4
223.96291	3.1
277.21667	41.0
278.22055	100.0
279.22342	6.1
288.95453	3.2
436.24234	82.1
437.24515	6.4
456.26364	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	436.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
56.03593	2.3
57.03304	2.7
59.01249	100.0
60.01579	15.9
61.01668	19.9
61.98704	83.6
62.02021	4.2
69.35795	20.6
71.01242	6.7
77.01054	2.2
85.02807	4.9
85.41222	2.5
89.02322	2.3
101.02309	6.1
113.02345	2.9
120.99496	3.1
123.25854	2.7
128.90913	2.4
129.31334	2.4
177.24681	2.6
437.23492	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	436.1743
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96392	1.7
59.01236	3.9
61.98701	5.9
69.94944	1.2
71.01250	2.2
71.51613	1.8
73.02798	2.1
74.44627	1.2
78.95746	1.4
85.45024	1.3
89.03156	1.2
101.02320	3.7
113.02322	4.0
119.03326	3.0
141.53998	1.2
161.04411	3.8
183.13849	2.7
211.13338	100.0
212.13745	7.1
225.14883	6.9
235.13271	2.6
248.40196	1.3
253.14432	13.9
265.14374	2.1
283.15536	2.0
301.16440	1.9
313.16559	7.5
343.17361	1.3
373.18613	5.0
383.74847	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	436.1739
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	4.9
61.98702	6.1
68.96389	1.7
71.01261	4.3
71.17926	3.5
78.95794	2.2
89.02274	1.8
101.02327	6.8
113.02335	3.3
122.75358	1.6
161.04419	4.2
183.13849	2.4
186.51376	1.5
211.13342	100.0
212.13707	7.7
225.14955	5.6
227.42378	1.7
235.13466	2.9
253.14420	8.5
265.14386	1.9
283.15472	3.0
313.16547	4.5
319.58252	1.6
358.19977	2.4
366.68509	1.8
373.18811	4.7
457.07559	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	436.1358
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	22.1
60.01571	1.6
61.98701	100.0
69.25258	3.1
69.25690	2.6
71.01261	1.6
72.99174	0.9
73.02808	1.1
75.00739	0.6
85.02839	1.9
87.00743	0.7
89.02303	0.7
99.13447	0.5
101.02347	1.3
108.04457	1.3
113.43915	0.5
118.00420	0.6
120.99510	0.7
122.06001	6.8
132.04445	13.8
134.06061	0.9
140.40149	0.6
148.03923	0.8
152.05830	0.9
152.07072	17.6
153.07414	1.0
161.04382	0.6
176.03490	2.0
214.08617	1.4
233.81689	0.7
269.12878	1.3
297.12396	8.8
313.12012	1.0
341.07184	0.5
341.11368	18.3
342.11710	2.4
373.14059	21.4
374.14536	2.2
381.78827	0.6
436.26572	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.9577
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96712	2.8
57.03325	5.2
69.58298	8.3
69.58730	10.2
71.01257	4.2
72.21466	2.5
72.34941	2.7
73.69765	3.5
78.95780	3.5
85.02814	5.7
87.00735	5.9
87.92403	68.2
96.33646	2.4
96.65205	2.8
96.95867	15.1
96.96842	7.0
98.20535	5.8
103.91903	100.0
104.92017	4.7
104.92683	60.5
105.93468	11.8
106.94258	5.6
111.00752	39.0
112.96875	3.4
121.03490	2.8
123.94511	19.6
126.10698	2.9
128.96327	5.2
139.55411	2.9
144.95831	38.3
145.96625	29.2
147.94562	5.8
154.97876	3.3
156.95844	59.9
157.42465	2.9
158.93788	7.1
161.96109	35.4
167.98653	6.0
171.94614	4.8
172.95345	3.1
173.92479	5.1
173.96109	5.7
185.99765	12.5
189.95586	5.6
191.01897	6.8
195.98135	3.1
198.96724	4.0
199.94034	18.9
200.94847	35.2
213.99277	6.6
217.95206	7.4
228.94318	21.7
257.98273	50.5
261.94101	3.0
283.96222	22.4
301.97299	7.5
330.97507	2.7
437.07043	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	435.2602
Annotation	Eurystatin C
Peak:m/z	Relative Intensity
57.03333	0.7
59.01252	100.0
60.01577	1.8
61.01133	0.3
61.01674	0.7
61.98707	3.9
70.37182	0.6
70.37556	1.0
71.01259	3.8
72.99186	1.6
73.02827	4.6
75.00746	0.5
81.03339	0.4
83.01274	0.6
83.04910	1.3
85.02827	2.5
87.00755	0.7
89.02326	1.2
95.01320	0.4
97.06503	0.3
99.00775	0.5
101.02323	2.6
108.07021	0.3
109.06531	0.5
111.01894	0.5
113.02337	1.5
117.50498	0.3
119.03412	0.7
122.05981	0.4
123.08030	0.4
125.02326	0.3
129.01813	0.6
132.04459	0.8
137.06046	0.3
152.07120	0.7
161.04494	1.0
167.10777	0.4
175.02365	0.4
176.10771	0.5
179.05545	0.8
199.13297	0.3
216.79073	0.3
227.07176	0.3
235.17073	0.4
237.11209	0.5
297.12643	0.3
341.11600	0.9
343.21149	3.0
355.25034	0.6
357.29007	0.4
361.22446	0.8
373.14066	0.8
373.26135	0.5
375.23947	1.9
417.24744	2.2
435.21164	0.6
435.25992	9.0
436.26465	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2514
Annotation	1-Oleoyl Lysophosphatidic Acid (sodium salt)
Peak:m/z	Relative Intensity
59.01236	0.9
59.72536	0.3
69.87538	0.3
71.43463	0.5
78.95774	57.3
90.20607	0.5
94.22918	0.4
96.95894	0.7
96.96848	5.2
107.98563	0.3
135.04388	1.1
136.04732	0.5
141.22723	0.3
150.97908	1.7
152.99487	100.0
153.99854	1.9
165.35300	0.3
171.00549	3.5
183.80498	0.3
199.03795	0.7
267.23340	0.4
281.24814	1.4
434.33731	0.4
435.25125	10.5
435.33716	1.5
436.25555	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	435.2513
Annotation	Unknow
Peak:m/z	Relative Intensity
56.91626	0.2
57.48942	0.2
57.49224	0.2
58.58818	0.2
60.96188	0.2
69.54507	1.1
69.54910	0.3
74.77309	0.2
78.95773	51.2
96.96834	6.0
101.00736	0.2
113.59177	0.2
116.62576	0.2
150.97917	1.5
152.99484	100.0
153.99823	1.4
171.00552	3.4
224.93515	0.2
277.55853	0.2
281.24936	1.0
435.19196	0.4
435.25171	7.0
436.25510	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2514
Annotation	LPA(18:1)
Peak:m/z	Relative Intensity
57.45231	2.1
58.89663	2.4
59.01241	2.2
63.52696	2.4
71.50729	2.4
74.20136	2.0
78.95770	57.8
90.13759	2.3
96.96843	7.2
103.96124	2.2
115.13986	2.1
133.05736	2.1
152.99480	100.0
171.00668	3.8
227.48334	2.3
246.00168	2.4
271.61600	2.5
310.89108	2.3
322.62515	2.5
353.95865	2.6
435.24963	7.1
451.50110	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	435.2383
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03312	4.2
59.01244	16.4
60.05396	1.1
67.01752	3.3
71.01255	22.1
72.99183	4.5
74.94260	1.4
75.12731	1.5
75.39399	1.3
78.95753	3.0
83.01249	5.4
84.43700	1.2
85.02292	2.1
85.02819	52.1
87.00744	62.2
89.18080	1.3
92.81728	1.6
97.99590	1.3
111.00834	1.4
111.26075	1.2
112.98677	3.8
113.02347	2.1
115.00250	57.1
129.01831	11.7
152.12704	1.3
152.99521	4.5
157.01324	68.6
158.01668	2.9
175.00990	2.3
175.02399	28.0
176.44539	1.2
205.89629	1.5
255.26482	1.3
272.49176	1.6
277.21704	100.0
278.22055	9.5
312.17859	1.3
435.23831	50.0
435.33890	2.6
436.24380	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	435.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
55.75382	6.2
56.31713	5.6
57.03325	15.1
59.01252	100.0
61.98702	21.7
64.41361	6.4
71.01254	70.2
72.99192	19.2
73.02811	13.6
75.00747	18.2
81.03359	7.4
83.01245	8.2
85.02835	27.2
87.00761	25.7
89.02312	30.9
95.76435	6.1
98.19860	14.6
99.00754	12.6
101.02314	40.8
102.46226	7.3
105.01833	10.7
113.02345	17.8
119.03358	8.1
123.04438	37.6
124.74706	5.9
129.01799	10.6
135.02834	6.5
155.10713	12.0
161.04477	32.2
165.05457	11.3
165.27679	6.6
199.09503	10.6
227.16418	10.1
229.08742	17.4
273.07742	18.3
299.09296	10.1
327.08594	12.9
327.18820	7.2
359.24289	6.3
361.21921	8.3
389.21820	23.2
389.98425	6.6
435.13153	48.6
435.22278	26.1
436.12930	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	435.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42576	0.5
54.60522	0.4
56.47354	0.4
56.67196	0.4
57.04791	0.4
59.01252	55.7
66.75252	0.4
70.91474	1.3
71.01253	3.2
73.02810	1.3
78.88037	0.4
83.01240	0.5
85.02818	1.8
87.00755	0.6
89.02321	1.4
95.01261	0.8
95.54613	0.4
101.02315	1.8
103.03916	0.6
111.35191	0.5
113.02346	3.4
119.03413	0.6
143.71506	0.4
161.04486	1.0
183.13826	8.3
184.14165	0.8
195.13850	8.4
213.14905	100.0
214.15253	6.9
222.04480	0.6
223.16966	0.7
227.16483	1.0
231.09018	0.7
237.14984	0.4
255.15999	0.9
273.20697	1.2
324.55374	0.5
341.06592	0.8
435.25711	1.6
436.16034	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	435.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	5.3
55.35458	3.6
57.03316	16.6
59.01252	69.2
61.98693	7.3
67.36129	3.9
69.03323	29.0
71.01241	41.3
71.04904	9.0
71.50510	4.8
72.99181	100.0
73.02814	45.5
75.00757	9.2
78.95778	19.7
79.05412	17.1
81.03343	11.2
83.01255	12.4
83.04891	53.1
85.02819	53.9
87.00742	75.6
87.04401	5.1
89.02303	11.5
93.03340	5.5
95.01304	5.0
95.04878	20.2
96.96859	7.2
97.02856	23.8
97.06456	19.1
98.03643	3.9
99.00780	9.5
99.04396	8.7
99.63903	4.2
99.92447	4.0
101.02317	28.2
107.04908	13.0
111.00758	12.5
113.02311	32.8
115.03903	23.7
115.91977	7.5
116.78412	4.4
116.92741	43.2
117.01865	8.3
122.03582	5.1
123.04439	9.8
125.02330	10.5
125.05965	16.1
129.01811	10.9
137.09595	12.0
139.03911	4.7
141.01909	4.8
143.03386	5.2
147.08052	4.0
149.09647	45.7
150.01472	4.6
159.02980	5.9
161.04453	32.3
167.10757	10.4
169.05000	11.1
177.01848	5.4
177.09102	5.0
179.05511	68.9
193.08432	10.0
195.02733	4.1
195.10228	33.7
211.09763	4.9
229.08708	7.6
235.08223	7.9
255.08597	19.7
274.81879	3.9
376.13623	4.5
401.15366	5.0
435.14728	40.7
435.22150	68.2
436.15042	7.2
436.22375	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	435.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01770	3.5
57.03316	11.2
59.01249	58.4
60.01616	2.5
61.98695	3.3
69.03320	16.4
69.07362	1.9
69.72331	5.6
69.72721	4.3
71.01263	23.4
71.04877	6.4
72.99180	100.0
73.02818	37.5
75.00748	10.3
79.05405	13.7
81.03328	10.0
83.01243	4.7
83.04893	70.1
85.02825	27.3
87.00751	46.4
87.04403	2.6
89.02322	5.0
95.01254	3.5
95.04884	7.6
97.02822	7.8
97.06476	17.0
98.03608	4.1
99.00765	13.1
99.04394	7.4
101.02339	14.0
107.04869	5.6
108.02067	3.0
111.00803	2.3
111.04416	4.3
113.02351	20.2
113.05964	2.0
113.39442	2.0
115.03888	23.9
116.92731	2.9
117.01846	5.7
119.04880	2.2
121.06444	3.9
123.04354	2.9
123.08003	4.6
125.02335	4.7
125.05993	14.9
129.01830	10.4
133.10117	1.9
137.05980	5.2
137.09592	16.5
139.03831	3.8
141.01874	4.9
141.05434	3.5
141.09113	2.8
142.53909	2.1
147.08173	2.4
148.20166	2.1
149.02237	2.0
149.09631	37.9
150.10013	2.2
151.11160	6.2
155.49866	1.8
159.02899	3.9
161.04478	25.9
165.05453	2.6
165.09135	3.8
167.07095	4.0
167.10689	14.2
169.08466	2.0
177.09200	3.2
178.09920	2.6
179.05542	52.1
179.07043	1.7
181.08571	3.6
183.06503	6.0
185.06429	2.0
185.08046	2.1
193.08572	5.1
195.10187	33.3
211.09660	7.6
235.08139	5.8
239.90877	1.9
255.08728	6.8
273.16974	3.1
309.03268	1.9
376.13776	4.9
435.15182	50.3
435.21872	12.5
435.26468	7.7
436.15433	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	435.1295
Annotation	Hydrangea glucoside B
Peak:m/z	Relative Intensity
55.51308	1.2
57.03304	1.7
59.01246	18.9
61.98705	1.8
64.82291	1.3
71.01252	8.2
71.05148	1.4
71.05471	2.0
73.02802	3.3
81.03326	32.8
83.72118	1.4
85.02818	8.3
89.02312	2.4
93.03341	5.8
101.02357	3.9
106.04108	3.5
108.02029	3.0
109.02802	3.2
113.02328	3.5
115.20530	1.4
119.03422	2.1
121.02866	3.8
123.04406	100.0
124.04713	4.2
125.02304	3.0
127.35986	1.4
129.01799	2.2
134.06026	1.3
135.61722	1.5
149.02376	8.9
161.04463	2.4
185.06161	1.6
199.03934	1.8
205.03419	3.0
219.14380	1.3
223.44278	1.5
227.07088	1.8
229.08656	75.8
230.09029	5.7
238.65327	1.7
243.02998	2.7
255.06641	20.5
261.04041	4.8
273.07669	43.1
273.17044	1.7
274.08087	4.5
335.55063	1.7
375.16376	2.7
394.47922	1.6
435.12988	75.1
435.17831	2.7
435.22592	3.2
436.13330	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	435.1295
Annotation	Hydrangea glucoside B
Peak:m/z	Relative Intensity
59.01245	3.4
61.98676	1.1
63.44011	0.5
69.53162	1.8
69.53585	2.5
71.01245	0.5
93.03319	1.1
98.19772	0.6
107.04903	49.8
108.02055	0.6
108.05244	1.6
109.02846	1.0
121.02847	19.6
122.03633	28.4
123.03931	1.0
124.01530	2.5
133.02805	0.6
136.01584	0.7
137.02350	5.3
150.03098	2.8
151.00345	0.6
151.03876	2.0
154.02638	5.3
158.34341	0.6
182.02162	3.8
211.07661	0.8
220.81226	0.6
227.07143	0.7
229.08649	75.5
230.09003	5.3
255.06676	1.6
272.06931	0.8
273.07675	51.0
274.07971	4.0
286.33188	0.6
290.34802	0.8
315.08612	0.6
360.97620	0.5
435.12930	100.0
436.13266	13.9
441.09607	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1292
Annotation	Hydrangea glucoside B
Peak:m/z	Relative Intensity
55.01744	0.4
57.03313	0.8
59.01251	9.6
61.98704	0.6
62.17477	0.4
63.36221	0.4
69.27642	4.4
71.01247	3.8
72.99166	0.7
73.02808	1.6
76.09913	0.4
77.98927	0.4
78.40562	0.5
78.95763	0.8
83.01238	0.9
85.02808	1.5
89.02315	2.2
93.03308	1.1
97.02792	0.5
99.00753	0.7
101.02328	3.0
107.04904	37.5
108.05235	1.4
109.02818	0.9
113.02322	1.3
119.03449	0.5
121.02840	15.9
121.03695	1.1
122.03632	23.1
124.01617	2.1
131.04903	0.8
133.02814	0.9
134.46031	0.4
135.04369	0.9
136.01576	1.0
137.02342	4.3
150.03139	4.3
151.03862	2.0
154.02614	4.2
161.04433	0.9
163.11198	0.6
165.08356	0.4
182.02119	5.6
189.01923	0.6
199.13321	22.6
200.13669	0.8
209.06038	2.5
210.06758	0.8
211.07542	3.0
227.07127	2.2
229.08643	60.8
230.08984	4.7
253.09236	2.6
255.06607	3.1
271.09583	0.6
272.06873	1.6
273.07666	37.2
273.20712	0.8
274.07892	2.4
289.16425	2.5
315.08743	2.1
319.42480	0.6
341.06641	1.2
435.12918	100.0
435.29636	2.0
436.13214	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	433.259
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19445	0.7
59.01248	9.4
61.98703	1.2
71.51249	1.2
78.95767	10.4
96.95898	0.9
96.96895	1.9
108.63026	0.7
116.09232	0.7
117.03342	16.3
119.04910	27.9
120.05250	1.8
121.02849	2.5
145.02847	100.0
146.03192	5.2
152.99486	17.6
159.30788	0.7
163.03908	18.5
164.04224	1.3
204.20848	0.7
249.19876	0.8
269.21292	1.4
287.22226	7.4
433.25961	35.1
434.26270	4.7
446.84613	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2593
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	4.6
71.27180	0.4
71.52307	0.5
78.95781	6.5
79.38258	0.4
96.96830	0.5
97.10844	0.5
105.03214	0.4
113.49737	0.5
117.03351	15.7
118.03650	0.5
119.04918	26.3
119.28830	0.4
120.05256	0.9
120.68447	0.5
121.02845	1.8
123.04427	0.8
133.02936	0.7
133.56877	0.4
145.02855	100.0
146.03218	5.4
148.83098	0.5
152.98328	0.8
152.99492	11.0
159.88304	0.5
163.03928	18.5
164.04276	0.6
172.30354	0.4
185.41689	0.5
235.88258	0.5
250.71919	0.5
253.84798	0.5
269.21283	1.3
287.22302	7.7
288.22598	0.5
316.19135	0.5
366.44949	0.6
415.24881	1.0
433.25964	36.4
434.26321	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	433.244
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59569	0.4
59.01250	100.0
60.01591	1.6
70.71397	1.0
71.01259	4.6
73.02812	1.9
78.95797	0.6
83.01287	0.8
85.02818	2.3
89.02325	1.6
95.01259	0.6
99.00794	0.7
101.02322	3.8
113.02335	2.0
119.03459	0.4
143.03369	0.5
152.99512	0.7
159.02922	0.5
161.04465	3.6
161.05692	0.4
171.23787	0.3
173.29073	0.4
183.81360	0.4
196.37221	0.4
205.03577	0.3
284.06491	0.5
285.06757	0.7
300.02878	0.6
311.05347	0.4
312.06137	1.0
313.06308	1.6
335.09134	0.4
343.07236	0.5
373.22318	3.9
403.13858	0.6
433.10324	1.5
433.20709	1.0
455.48511	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89891	0.4
55.01795	0.4
59.01250	100.0
60.01590	0.8
68.50224	0.3
69.67507	2.4
71.01253	4.0
71.34801	0.4
73.02827	1.4
85.02850	1.2
89.02331	0.9
95.01325	0.4
99.00746	0.4
101.02337	2.8
106.44367	0.3
113.02352	1.2
124.10626	0.4
146.82529	0.5
159.02841	0.7
161.04457	2.6
287.04654	0.4
298.04678	0.5
299.05109	0.7
315.14401	0.5
329.05737	1.8
357.06442	0.5
358.49332	0.4
359.06891	2.0
373.22318	4.3
374.22885	0.8
415.09369	0.9
433.10529	3.6
434.10983	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2356
Annotation	1-(9Z,12Z-octadecadienoyl)-glycero-3-phosphate
Peak:m/z	Relative Intensity
62.96274	0.3
71.12370	0.2
78.95771	38.4
88.86157	0.2
96.96844	5.7
98.19671	0.5
118.25876	0.2
131.90987	0.2
149.43372	0.2
150.97932	1.5
152.99483	100.0
153.99820	1.8
164.35344	0.2
168.16750	0.2
171.00546	4.2
173.36407	0.2
174.09721	0.2
279.23312	0.9
433.23550	4.8
434.23953	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2358
Annotation	LPA(0:0/18:2(9Z,12Z))
Peak:m/z	Relative Intensity
52.07064	0.4
55.51625	0.5
56.94238	0.5
59.01245	2.4
70.58296	1.7
78.95770	51.6
85.31940	0.5
96.96849	4.7
125.67451	0.5
150.97934	2.0
152.99483	100.0
153.99844	1.4
158.71608	0.5
171.00540	3.5
216.41013	0.5
229.96028	0.5
279.23190	1.1
300.63971	0.5
363.09503	0.5
415.32205	1.2
433.23639	7.8
433.33270	2.2
434.23886	1.3
454.89001	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2357
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07722	0.3
57.55011	0.3
60.52381	0.3
71.15411	0.4
76.50603	0.2
78.95772	72.4
86.98851	0.3
96.96835	6.3
123.22147	0.3
149.21959	0.3
150.97897	1.6
152.99483	100.0
153.99835	2.0
165.69600	0.3
171.00542	2.6
279.23145	1.4
280.23706	0.3
298.20807	0.3
433.23566	11.0
434.23862	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	433.2341
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	3.7
59.00962	1.8
59.01252	32.2
61.98693	3.5
63.34230	1.1
71.01268	2.0
71.49982	1.5
78.95773	2.6
83.04914	2.3
97.06475	10.9
101.02333	2.2
111.75961	1.1
116.58357	1.1
120.08050	2.1
123.08038	6.9
125.09618	63.0
126.09951	4.3
130.56189	1.1
132.08089	3.5
134.09651	53.5
135.10007	4.1
160.07597	13.9
160.11235	2.9
161.08380	1.4
174.09175	5.1
178.08673	1.8
187.09824	1.4
197.11783	3.8
201.08707	1.1
202.12312	97.0
203.12633	6.5
216.13916	1.2
223.94434	1.2
242.19080	4.7
245.12845	1.9
253.09489	1.3
260.20157	6.7
286.18192	2.0
304.19144	12.3
324.17902	1.2
328.22873	1.6
330.20999	2.5
372.21762	10.4
389.24466	66.6
390.24902	7.6
403.20181	2.7
415.22437	11.9
433.23416	100.0
434.23804	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	433.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21086	0.5
54.94760	0.6
59.01252	100.0
60.01581	0.8
61.33054	0.5
66.18822	0.5
70.21208	1.5
71.01269	1.1
73.02812	0.5
91.39018	0.5
100.14165	0.5
101.02378	0.6
115.35828	0.5
123.00786	0.5
150.03183	0.6
154.51399	0.6
183.26280	0.5
203.49809	0.5
229.04945	1.0
255.03253	0.5
271.02490	1.0
271.95923	0.5
300.02856	1.3
301.03592	1.2
356.57480	0.5
433.08243	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2231
Annotation	Phorbol 13-butanoate
Peak:m/z	Relative Intensity
57.03358	0.7
59.01251	17.7
61.98718	1.2
65.87015	0.4
68.99676	0.5
69.03339	0.6
69.55332	2.9
71.01247	3.7
73.11540	0.4
75.64172	0.5
78.95804	1.2
80.02568	1.1
81.03339	0.6
83.04887	0.8
85.02832	0.5
87.00777	0.8
93.03349	0.6
93.06972	0.6
95.04904	0.8
96.95894	0.5
97.06502	0.9
98.22974	0.4
101.02349	0.5
103.82397	0.5
106.04105	0.6
107.04936	0.6
107.08600	1.1
108.02085	0.6
109.06503	1.4
111.08029	1.1
119.04903	0.6
119.08585	0.7
120.05774	0.5
121.02840	2.4
121.10174	0.7
122.03638	0.9
123.08070	0.5
131.04926	1.0
133.02846	0.6
133.06551	0.8
134.03598	0.7
135.04387	2.4
135.08081	0.6
135.14473	0.4
136.01570	0.5
137.09821	0.4
139.11198	0.7
141.39316	0.5
142.70401	0.5
143.04913	0.6
145.02864	3.2
145.06520	0.9
147.04440	2.6
148.08867	0.8
149.02390	0.5
149.05984	0.7
149.09625	0.6
149.77762	0.5
151.11180	4.2
152.99509	1.3
153.09120	1.5
153.12778	3.0
157.06502	0.6
158.03685	0.9
159.04422	5.8
159.08046	1.0
159.45354	0.5
160.05150	0.8
161.02408	2.3
161.06000	3.8
161.09653	0.9
162.03102	0.4
162.10529	0.5
163.03954	0.8
163.07559	1.2
163.11235	3.6
165.09157	0.8
165.12762	4.7
167.10651	1.1
167.14371	0.7
168.00525	0.5
171.04465	2.5
172.05138	0.7
173.02391	1.5
173.06041	2.4
174.03172	0.6
175.00383	1.0
175.03883	2.5
175.07597	1.9
175.11153	1.0
175.83084	0.5
176.08411	0.5
176.12038	1.0
177.01860	3.1
177.09023	0.7
177.12766	2.7
178.02634	0.6
178.09935	1.6
179.10640	0.6
179.14284	2.6
185.05998	2.1
186.06805	0.8
187.03925	3.5
187.07628	1.2
188.04497	0.7
189.01857	6.2
189.05505	1.7
189.09195	0.9
189.12798	1.3
190.02475	1.0
190.09938	1.2
190.13591	0.5
191.03384	0.7
191.10677	0.6
191.14311	2.4
192.11491	3.0
193.08617	1.2
193.12274	0.7
193.15900	0.8
197.09964	0.6
198.06760	0.5
199.03951	1.9
199.07608	1.1
199.11230	0.5
201.05490	2.4
201.09169	1.8
201.12889	0.6
202.09843	1.2
202.13539	0.7
203.03474	5.2
203.10710	1.2
203.14371	1.4
204.04202	1.0
204.07808	0.5
204.11508	0.6
205.12280	1.2
205.15900	1.3
213.05568	2.6
213.09111	0.7
214.06210	0.6
214.09966	0.6
215.03479	1.3
215.10733	3.1
215.14391	1.2
216.07841	1.5
216.11508	0.7
217.04967	2.2
217.12325	1.4
217.15912	0.8
219.10222	0.5
219.13812	0.6
219.17517	2.0
225.05486	0.5
227.07123	1.6
228.11575	1.7
229.05096	1.4
229.12296	1.1
229.16049	1.1
230.09482	0.6
230.13147	0.8
231.09996	2.6
231.13857	1.1
231.17421	2.8
232.10977	1.1
233.15474	0.5
233.19197	0.6
234.08932	6.7
241.08681	0.5
242.09528	0.7
242.13014	0.5
243.10287	0.8
243.13931	0.7
244.10956	1.2
244.14601	1.1
245.11708	0.8
245.18977	0.9
246.08932	5.0
247.09395	0.6
256.11075	0.6
260.10464	4.1
262.12091	1.0
269.15399	0.5
269.18991	0.9
271.20792	1.4
271.24023	0.6
273.22217	5.1
274.12216	0.5
283.13498	0.6
283.20853	0.7
285.22217	6.8
286.22516	0.8
287.23764	3.1
289.21722	0.8
297.22403	0.9
299.20218	1.4
301.21710	2.5
301.25037	0.6
303.23245	1.1
304.13132	0.5
311.20227	1.4
313.21674	1.7
315.19629	3.0
315.23291	5.8
316.13251	0.9
316.20035	0.6
316.23560	0.7
317.21213	13.8
317.24728	1.0
318.21597	1.4
319.22760	5.1
320.22876	0.5
323.20163	1.0
325.21674	0.6
327.19656	1.5
327.23306	1.8
328.13293	0.5
329.21207	13.7
330.21597	2.0
331.22723	10.3
332.12579	3.8
332.23050	1.3
333.13144	0.7
333.20682	3.1
333.24390	2.8
341.21210	5.7
343.23013	2.3
345.20639	3.3
345.24496	1.9
347.22272	1.0
353.21204	4.9
354.21713	0.8
355.19086	1.3
357.20786	1.2
359.22235	5.4
360.22577	0.7
361.23810	1.4
367.19098	1.8
369.20288	0.5
371.22256	30.5
372.22546	4.0
373.20154	40.5
374.20450	6.1
375.21741	1.6
385.20206	20.0
386.20468	1.9
387.21591	2.8
389.23337	19.1
390.23663	3.2
397.20126	12.5
398.20261	1.0
403.21228	100.0
404.21548	13.3
405.22690	2.2
406.23001	0.6
415.21243	58.5
416.21545	9.1
433.22272	77.0
434.22583	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	433.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01739	3.1
57.03322	18.1
59.01252	14.1
67.01761	0.7
70.46760	1.5
71.01253	9.3
72.45005	0.6
72.99171	1.2
73.02814	2.8
74.06196	0.6
75.00755	1.2
82.62267	0.7
83.01250	9.5
84.02058	2.0
85.02823	100.0
86.03150	2.6
87.00737	0.8
89.02322	1.4
97.06409	0.7
99.00748	0.8
101.02314	5.8
105.35953	0.6
111.00768	30.5
112.01099	1.1
113.02345	1.0
125.02331	1.9
129.01830	50.9
130.02162	1.8
147.05823	0.6
159.02908	0.8
161.04491	4.3
171.77319	0.7
177.03943	0.9
183.13788	1.0
187.02432	2.6
205.03470	37.3
206.03848	1.9
209.11836	1.0
222.04372	2.4
223.04558	5.5
227.16481	9.8
268.72797	0.7
268.90356	0.7
271.19232	0.6
295.19119	1.5
354.96021	0.7
373.22485	0.8
406.08939	0.8
426.92258	0.7
433.10739	1.4
433.20160	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	433.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	100.0
60.01578	1.3
60.83739	0.4
61.98700	1.0
64.06242	0.4
71.01248	4.7
71.49043	0.8
73.02828	1.6
78.45173	0.4
80.01749	0.4
82.93497	0.4
83.01239	0.5
85.02850	0.9
89.02318	2.0
91.75343	0.4
101.02296	3.2
113.02328	1.8
117.11333	0.4
119.03388	0.7
121.52457	0.4
125.02320	0.6
161.04469	1.2
167.03372	0.6
179.05563	0.7
196.09561	0.4
207.49992	0.4
229.70212	0.5
270.67627	0.4
313.16476	0.5
329.05865	0.4
331.17941	0.6
373.18817	0.8
373.23001	0.6
433.10486	0.6
433.24551	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90163	0.2
52.59337	0.3
53.48933	0.2
55.01780	0.3
57.88277	0.3
59.01248	100.0
60.01583	1.3
61.98689	0.4
69.20424	1.2
69.20846	1.7
71.01254	2.2
73.02816	0.5
85.02827	1.2
89.02338	0.6
95.01281	0.3
96.95924	0.4
101.02303	1.4
113.02335	0.8
125.02351	0.3
161.04501	1.1
164.51125	0.3
169.12180	0.3
178.02641	0.4
193.05023	0.5
197.11696	0.4
205.41704	0.3
247.58093	0.3
271.19235	0.3
313.16763	0.5
331.17664	3.1
373.13550	0.5
373.18753	1.7
374.19077	0.5
418.12775	0.3
433.15970	1.5
433.20993	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
54.91441	0.2
57.03305	0.3
59.01248	100.0
60.01589	1.1
60.63593	0.3
63.94353	0.2
68.22776	0.2
68.25876	0.2
69.25470	2.3
71.01255	1.5
73.02815	0.6
85.02840	0.5
89.02329	0.6
101.02341	1.0
111.00716	0.2
113.02345	0.5
140.40315	0.2
147.11885	0.2
151.21568	0.3
161.04503	0.5
248.37923	0.2
286.36395	0.2
300.02676	0.4
313.06366	0.4
331.17551	0.5
373.18375	0.3
373.22522	0.5
433.21265	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	6.0
61.98682	2.0
71.01267	1.0
78.03423	0.6
80.04923	5.4
85.02823	0.8
92.04907	0.9
94.06493	7.3
95.03630	1.3
96.08068	3.6
97.01581	3.8
98.02389	0.7
98.05947	0.9
101.11606	0.6
104.04922	2.1
106.02859	1.9
106.06499	3.4
108.04426	2.4
109.01574	1.1
109.02850	1.8
109.05212	2.4
110.05973	0.9
120.04441	6.1
121.05225	2.4
122.06004	28.0
123.03172	0.6
123.04373	1.0
123.06435	0.6
124.03884	1.1
124.07570	34.8
125.02334	0.7
125.07885	1.5
126.05485	0.7
134.23085	0.6
136.03926	10.6
136.07556	1.2
138.05464	2.0
140.07034	3.5
144.47380	0.6
148.03943	56.5
148.07567	1.4
149.04367	2.0
149.65984	0.6
150.04257	1.1
150.05507	19.6
152.03415	1.0
152.07069	1.6
154.51231	0.5
157.60921	0.7
166.05003	14.9
166.06419	0.7
167.05338	0.6
168.06570	7.9
169.06889	0.6
175.08710	0.8
178.12303	1.0
194.04477	3.6
199.12405	0.9
210.03960	4.2
213.06630	1.3
215.08261	0.8
215.11823	1.5
227.08315	1.0
228.08810	1.1
229.13350	0.7
230.10384	1.2
231.11333	6.7
241.09761	1.4
243.11308	3.5
244.08388	1.1
244.12146	0.7
245.12898	1.1
255.11331	1.9
259.10852	1.3
273.12439	37.4
274.12860	3.1
275.10468	1.0
290.12769	1.4
291.13498	43.9
292.13815	3.1
317.11371	13.2
334.11548	3.6
335.12460	100.0
336.12762	9.2
369.66525	0.9
389.20758	6.4
396.33838	0.7
433.19675	14.7
433.24030	0.7
434.20197	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	433.1963
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	1.3
57.03320	6.1
59.01245	9.2
59.31419	0.7
61.98700	5.8
65.45248	0.7
70.98280	1.3
71.01246	3.3
80.04938	5.4
83.01230	3.5
84.63892	0.6
85.02820	28.3
86.03143	0.9
91.24381	0.6
94.06496	6.6
95.03631	1.3
96.00788	0.9
96.08072	2.5
97.01537	2.9
98.05927	0.8
99.00702	0.8
101.02322	2.1
104.04929	1.3
106.02860	0.8
106.06499	3.4
108.04436	2.8
109.05224	1.7
110.06000	1.0
111.00758	8.3
120.04435	7.9
121.05268	1.2
122.06010	25.9
123.04382	0.9
124.03945	1.0
124.06695	1.6
124.07574	29.9
125.02314	2.1
125.07887	0.8
126.05484	0.8
129.01820	17.9
130.88809	0.7
135.53568	0.8
136.03946	7.4
136.07565	1.2
138.05510	1.8
140.07024	1.7
148.03943	50.3
149.04291	2.1
150.05518	14.3
152.03395	1.6
152.07042	1.7
152.64796	0.7
161.04482	1.4
164.07120	1.3
166.04988	13.7
168.06563	8.5
171.10202	0.7
176.96266	0.8
192.10118	0.9
194.04530	3.1
198.80038	0.8
199.12335	1.0
200.84090	0.9
205.03462	11.4
210.04005	3.9
210.05702	0.8
223.04480	1.2
227.16489	2.2
228.08907	1.6
231.11360	4.7
241.10004	0.8
243.11400	2.5
254.06712	1.2
255.11345	1.9
273.12418	27.8
274.12769	3.3
291.13483	27.2
292.13654	2.3
297.20801	0.9
317.11380	11.4
318.11685	1.1
335.12460	100.0
336.12762	12.2
343.09570	0.8
389.20786	1.8
433.10751	1.0
433.19879	8.2
433.24994	1.2
434.20242	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1712
Annotation	Unknow
Peak:m/z	Relative Intensity
55.22164	1.3
57.03318	3.1
58.96141	1.5
59.01248	60.4
61.98667	1.7
69.03336	1.8
69.24956	13.3
71.01258	15.8
72.99175	31.4
73.02816	6.4
75.00746	12.8
81.03331	1.7
81.29658	1.3
83.01273	4.1
83.04900	6.0
84.02038	5.3
85.02819	9.9
85.71813	1.6
87.00760	9.4
87.47765	1.8
89.02323	6.7
92.74837	1.4
95.04919	1.6
97.06469	2.8
101.02344	7.8
103.99060	1.3
109.02860	1.5
111.04369	1.8
113.02341	5.1
115.00255	34.8
119.03464	1.8
123.08068	4.1
125.02361	4.2
125.09620	13.8
126.59212	1.4
135.02866	10.7
135.08080	2.4
142.99728	1.8
149.02318	1.6
165.12727	3.4
171.10265	1.4
175.02385	58.5
175.11230	3.4
177.12802	4.2
181.12346	2.1
191.10699	3.0
193.12276	6.4
195.13753	1.9
197.11766	16.2
209.11723	23.0
211.13426	2.7
219.10153	4.1
221.11769	16.4
222.12180	2.2
229.15346	1.5
237.11267	11.0
239.12773	2.9
241.14407	22.0
242.14752	2.0
247.09758	3.0
253.09224	2.3
253.14421	5.1
255.12244	2.5
265.10785	25.1
269.13861	2.4
271.19214	2.0
279.12274	2.0
281.10297	2.6
283.11841	5.3
297.13290	1.7
313.05878	1.6
313.12918	36.3
314.13202	5.5
315.14474	100.0
316.14758	9.6
329.05588	2.0
345.22482	2.0
377.80219	1.7
383.13339	2.2
415.23410	3.2
428.65237	1.8
430.87573	1.5
433.10226	3.5
433.23999	12.7
446.33408	1.6
451.19238	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.0984
Annotation	Unknow
Peak:m/z	Relative Intensity
56.25844	0.4
59.01239	1.7
69.74691	0.3
70.36392	1.5
71.01244	0.5
72.42574	0.3
81.14032	0.3
89.02314	0.5
95.01229	0.6
98.19892	0.4
123.00775	4.1
124.01554	11.6
125.02353	7.4
149.99487	17.5
151.00096	0.8
154.33321	0.4
168.00551	58.2
169.01112	4.0
239.05562	1.0
257.06573	0.5
280.32190	0.4
283.04404	0.6
415.08603	0.8
433.09842	100.0
434.10178	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	432.1143
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86164	1.6
56.41323	2.0
59.00965	2.6
59.01247	40.6
61.98695	100.0
68.54204	1.7
71.01235	5.4
71.05000	3.5
71.05346	2.1
73.02802	6.0
80.51682	1.6
83.01241	2.3
84.98202	1.7
85.02849	1.9
85.44196	1.7
89.02288	1.9
101.02294	8.1
113.02296	2.1
119.03330	2.2
131.03348	2.6
133.02847	3.9
155.49104	2.0
161.04436	3.1
162.02472	1.9
167.03357	2.5
211.13315	4.1
280.59384	1.9
285.03745	6.0
286.04285	6.3
297.04062	4.5
298.04492	14.7
299.05103	7.7
300.05756	5.7
312.05884	4.1
327.05200	6.8
328.05438	28.8
329.05591	2.7
340.05530	2.4
345.22614	1.8
357.05942	3.9
358.06412	23.1
359.06659	1.8
414.08881	3.7
427.71616	2.1
432.04233	2.4
432.10098	33.8
432.19522	2.4
433.10461	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	431.2435
Annotation	Unknow
Peak:m/z	Relative Intensity
53.29979	0.3
59.01244	2.0
61.98699	0.4
70.76289	0.6
71.23025	0.3
78.95754	0.4
80.78589	0.3
86.23447	0.3
89.86879	0.3
93.03326	0.4
117.03350	16.2
118.03666	0.5
119.04917	26.1
120.05264	1.4
121.02846	1.6
123.04410	0.5
126.91429	0.3
133.02831	0.6
145.02853	100.0
146.03197	4.9
152.99483	0.9
163.03918	19.7
164.04231	0.8
267.19556	1.8
269.21075	0.5
285.20694	8.1
286.21155	1.0
334.84015	0.3
348.46591	0.3
413.23340	0.5
418.87527	0.3
431.24332	28.7
432.24649	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2437
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49254	0.3
54.35417	0.3
59.01256	2.9
61.98712	0.6
62.63799	0.4
71.01244	0.6
78.95826	0.4
87.13839	0.3
93.03349	0.4
98.62585	0.4
99.62011	0.3
107.57642	0.3
117.03357	15.7
118.03696	1.1
119.04916	26.7
120.05248	1.2
121.02830	1.7
123.04405	0.5
133.02823	0.7
145.02859	100.0
146.03197	4.9
149.63635	0.4
152.99481	0.7
163.03926	19.1
164.04317	0.5
199.41734	0.4
267.19592	1.7
285.20715	8.2
285.23697	0.6
286.20895	0.6
357.06717	0.4
413.22974	0.5
419.12137	0.4
431.24387	27.3
432.24768	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	431.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17560	0.3
56.10932	0.3
57.03324	1.5
58.00477	0.6
59.01250	100.0
59.46864	0.3
60.01597	1.0
61.98709	0.6
70.90053	1.0
71.01254	10.4
71.04893	0.8
72.99196	0.6
72.99612	0.3
73.02821	2.9
83.01276	1.0
83.04913	0.3
85.02821	8.2
87.00746	0.5
88.98676	0.6
89.02316	4.4
95.01292	0.6
95.04914	0.5
97.02847	0.7
99.00757	0.8
101.02320	6.5
109.02854	0.6
111.00761	2.0
113.02325	4.9
117.03366	0.9
119.03391	1.7
121.02857	0.5
123.24633	0.4
125.02354	0.7
129.01863	1.8
129.02679	0.3
131.03358	0.4
133.02859	2.3
134.03206	0.4
135.04398	0.4
137.09634	1.2
139.11215	1.3
143.03391	0.9
147.04416	0.5
151.00323	0.4
159.02905	0.9
161.02408	0.5
161.04434	7.2
161.05663	0.5
163.00349	0.4
165.01802	0.5
165.12738	2.1
175.02405	0.6
175.03932	0.4
177.01836	0.4
179.05525	1.5
183.13834	6.6
197.15379	0.5
205.03426	1.8
209.15375	4.2
225.05426	0.6
227.07103	0.5
227.12854	7.0
255.72952	0.4
269.04568	1.0
269.14145	0.4
281.04575	0.9
282.05194	0.6
283.06107	4.7
284.03351	0.6
284.06186	0.5
285.04056	2.4
287.22247	0.7
295.06140	0.9
297.04016	4.1
298.04636	2.7
299.05597	1.7
311.05618	10.1
312.05997	1.0
323.05682	0.8
327.05084	7.3
328.05304	0.6
339.05078	1.3
341.06650	3.3
341.10330	0.7
342.06665	0.4
357.06143	6.8
358.06396	1.1
369.05887	0.4
371.11499	0.4
371.20709	5.5
372.21106	0.6
389.21793	1.2
413.08823	2.3
431.09845	12.8
431.21545	1.7
431.26624	2.6
432.10007	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	431.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32841	0.5
57.03317	0.7
59.01253	100.0
60.01609	1.4
71.01256	9.4
71.50703	0.5
72.99194	0.5
73.02837	2.7
83.01272	1.1
85.02808	4.5
85.29604	0.6
88.98679	0.6
89.02309	3.1
95.01238	0.9
95.90221	0.6
97.02837	0.7
99.00784	1.6
101.02321	8.6
103.23476	0.6
108.67557	0.7
110.56079	0.5
113.02330	3.7
113.87756	0.6
119.03381	1.1
124.01530	0.6
125.02346	0.6
131.03506	0.6
133.02869	2.3
156.57999	0.8
159.02901	1.3
161.04457	5.9
209.15495	0.8
235.86244	0.6
284.03186	1.2
285.04224	1.2
297.04031	3.0
298.04895	2.1
299.05679	1.9
300.05933	0.6
311.05548	1.6
327.05127	6.3
328.05493	0.8
339.05298	0.7
343.55896	0.6
357.06134	5.4
371.20746	17.3
372.21317	2.0
413.08832	1.2
431.09683	7.8
431.14343	0.6
431.23264	1.2
432.10196	0.9
446.88916	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.22
Annotation	Unknow
Peak:m/z	Relative Intensity
54.35519	0.2
59.01241	0.4
62.96266	0.3
70.11472	1.1
78.95771	69.8
89.60859	0.2
96.96838	5.9
96.97426	0.4
150.97916	1.6
152.99483	100.0
153.99818	1.8
171.00526	2.7
277.21722	1.3
393.92029	0.2
431.21997	10.3
432.22260	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	431.2284
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22494	0.5
55.01734	0.7
57.03313	1.3
59.01250	100.0
60.01609	1.3
71.01257	9.8
71.51639	0.9
73.02798	3.0
81.68238	0.6
83.01265	1.7
85.02820	5.2
89.02316	4.1
97.02859	0.6
99.00768	1.5
100.27391	0.5
101.02324	8.3
113.02326	5.2
119.03468	0.9
122.68777	0.6
133.01956	0.6
133.02888	2.4
143.03403	0.9
159.02939	1.1
161.04443	7.2
163.03903	0.7
205.03479	0.8
209.15480	1.2
215.07266	0.6
226.99771	0.7
234.13658	0.7
253.29155	0.6
283.06210	0.7
284.03256	1.0
285.04092	2.1
297.04019	3.3
298.01730	0.6
298.04840	2.6
299.05487	3.2
311.05823	2.3
327.05066	9.0
328.05453	0.9
339.05142	1.0
357.06091	5.8
358.06754	0.7
371.20721	17.0
372.21368	1.5
413.08820	1.5
431.09845	9.2
431.22781	1.2
432.10547	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2202
Annotation	PA(18:3(9Z,12Z,15Z)/0:0)
Peak:m/z	Relative Intensity
62.96254	0.2
70.38442	0.3
70.38786	0.8
77.41573	0.2
78.09928	0.2
78.95773	55.6
80.54266	0.2
96.96844	6.5
116.07930	0.2
150.97905	1.8
152.99487	100.0
153.99846	1.6
171.00555	4.2
174.38336	0.3
193.29782	0.2
277.21844	0.7
431.22003	4.1
432.22321	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2071
Annotation	(-)-Malkangunin
Peak:m/z	Relative Intensity
58.91302	0.7
59.01245	6.6
65.03815	1.3
67.14851	0.7
68.99670	0.8
69.19598	7.6
71.01247	1.1
81.03310	0.7
83.04899	1.3
93.03342	0.9
93.06991	0.7
95.04891	0.8
97.06464	0.9
98.20580	1.4
102.63231	0.6
105.06954	0.9
107.04913	1.2
107.08526	2.1
109.06519	1.1
115.05375	1.0
117.03333	0.9
117.06930	0.7
119.04951	0.8
119.08555	0.9
121.02824	1.5
121.06438	1.6
122.03603	0.8
129.06999	0.8
130.04143	0.7
131.04898	1.5
133.02803	1.9
135.04391	1.0
135.08061	0.9
137.09573	0.9
143.04898	1.6
145.02853	9.3
145.06474	2.2
146.07256	0.8
147.04451	3.8
147.08067	0.9
148.05130	1.1
149.02283	1.2
149.06110	0.9
149.09589	1.7
151.11168	1.6
153.09081	0.7
154.91977	0.7
154.97769	0.8
157.06491	2.3
158.03598	1.5
158.07224	1.3
159.04417	8.2
159.08022	1.8
160.05142	1.6
160.08803	1.0
161.02299	2.8
161.06009	3.2
161.09618	4.5
163.00291	0.9
163.03870	0.8
163.07500	1.2
163.11191	3.1
164.01065	2.0
165.12683	0.8
167.04849	0.9
169.06468	1.8
170.07184	1.1
171.04430	6.6
171.07990	1.1
172.05139	2.0
173.02341	1.9
173.06020	5.5
173.09596	0.9
174.03181	0.9
174.06755	1.2
175.00267	1.4
175.03929	4.1
175.07596	1.4
175.11156	1.3
176.01030	0.7
177.01851	5.1
177.12715	1.8
183.08070	1.5
184.05171	1.3
185.05983	7.5
185.09529	1.1
186.06686	2.6
186.10266	1.1
187.03941	4.2
187.07579	3.2
187.11134	1.1
188.04657	1.5
189.01874	9.5
189.05502	2.0
189.12706	2.1
190.02400	0.9
190.09761	0.9
191.14282	1.1
197.06033	1.3
197.09535	0.9
198.06827	0.7
199.03882	3.4
199.07507	2.9
199.11212	1.1
200.04649	1.3
200.08377	3.8
201.05487	2.0
201.09114	2.1
201.12701	1.1
203.03432	11.2
203.14299	0.9
204.04091	2.4
211.03914	1.9
211.07564	2.0
211.11177	0.7
212.04636	1.0
213.05527	9.0
213.09109	2.3
214.06219	3.1
214.09685	1.3
215.03447	4.0
215.06752	0.7
216.03712	0.8
217.05014	6.2
217.15941	1.3
223.07628	0.7
225.05531	1.6
225.09296	1.0
226.06325	1.5
227.07036	2.1
227.10532	0.8
228.07838	1.8
229.05028	1.3
229.08789	1.0
229.12172	1.1
229.15959	5.4
233.04526	1.4
239.07140	2.4
240.07820	1.3
243.06532	1.8
244.07335	1.7
244.14589	1.1
247.05992	1.0
251.07033	0.7
251.97739	0.8
252.07732	1.1
253.08595	1.6
253.15962	0.9
255.10274	0.9
255.17435	1.4
256.11102	0.8
258.08911	1.3
265.19614	0.9
267.17401	0.9
271.20569	2.0
283.20639	12.5
284.21066	1.4
288.13629	2.0
297.18500	2.2
299.20236	1.7
304.13144	2.0
305.13626	0.8
307.20685	1.3
309.18631	6.5
313.18021	2.0
313.21381	1.0
315.12234	1.0
315.19531	5.1
316.13254	1.1
317.96841	0.8
321.18454	0.9
325.18008	6.3
325.21661	1.2
327.04922	1.4
327.19632	23.0
328.19986	2.9
329.21085	1.7
331.19077	2.5
332.12634	29.6
333.12946	2.8
339.19623	2.1
341.17526	0.9
341.21222	1.4
342.14703	1.2
343.19211	3.7
344.12524	6.3
345.20563	0.9
351.19586	5.6
353.17511	2.0
355.18964	1.1
357.05911	1.0
357.20715	2.8
362.13641	6.1
363.13275	0.7
365.17352	1.5
369.20676	20.9
370.20993	2.6
371.18607	100.0
372.18887	12.9
373.20486	1.0
377.17773	0.9
383.18652	28.8
384.19058	4.3
385.20108	2.3
387.21844	4.2
388.21826	0.9
395.18628	27.5
396.19089	4.8
401.19672	57.2
402.19910	7.3
413.19669	43.4
414.20053	6.2
431.20715	47.8
432.20877	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	431.2071
Annotation	(-)-Malkangunin
Peak:m/z	Relative Intensity
51.23250	0.6
59.01250	10.8
61.98697	1.0
65.11726	0.7
71.01231	1.5
71.30333	1.0
79.59052	0.8
83.04917	1.2
93.06948	1.1
107.04906	1.6
107.08541	2.2
109.06464	1.1
117.03359	2.1
117.06973	0.8
119.04862	1.0
121.02870	1.1
131.04887	1.8
133.02859	2.8
133.06494	0.9
135.04462	1.4
145.02846	6.5
145.06567	0.9
147.04424	1.4
149.05989	0.8
149.09595	1.5
153.09096	0.8
157.06488	1.6
158.03625	1.2
159.04419	4.3
159.07964	1.3
160.05049	1.0
161.02339	3.0
161.05983	1.6
161.09645	6.1
163.00281	1.1
163.03828	1.2
163.11230	2.6
164.01019	1.0
165.12769	0.8
167.04993	1.2
169.06485	2.2
170.07211	0.9
171.04460	5.2
171.08084	1.1
172.05147	1.2
172.08707	0.9
173.02350	2.3
173.06038	4.4
173.09625	1.7
174.03130	1.5
174.06680	0.8
175.03911	3.7
175.11214	1.3
177.01863	4.0
177.12820	1.2
183.08047	1.3
185.06020	6.4
186.06757	1.3
186.10370	1.3
187.03903	3.7
187.07494	1.8
188.04747	1.1
189.01825	6.6
189.05476	1.4
189.12787	1.6
192.04277	0.8
195.04454	0.9
197.06024	1.8
199.03934	2.7
199.07570	2.0
199.11203	0.8
200.04666	1.1
200.08391	2.2
201.02005	1.2
203.03391	7.6
203.14322	1.1
204.04105	1.0
209.09642	0.9
211.03972	1.8
211.07605	1.6
213.05490	7.8
213.09219	2.1
214.06238	3.4
214.09784	0.8
215.03389	2.9
215.07059	1.1
215.14432	0.8
217.05025	3.8
225.05421	2.0
226.06342	1.1
227.07101	1.6
228.07843	1.8
229.05023	1.1
229.15886	4.7
232.07462	1.5
237.05464	1.0
239.07079	3.3
240.07838	2.5
251.07028	0.8
252.07660	0.8
253.08757	1.1
255.17502	1.3
257.11896	0.9
281.04535	2.2
283.06097	6.0
283.20737	9.9
284.03125	1.3
284.06628	0.8
284.20953	1.7
285.04044	2.4
297.03949	5.1
297.18594	2.0
298.04797	3.4
299.05502	2.2
299.20151	1.9
300.13760	1.2
304.13223	1.4
307.20578	1.5
309.18546	6.1
310.18863	1.0
311.05615	10.0
312.05789	1.3
313.17999	1.9
315.19553	2.9
323.05396	1.0
325.18082	5.8
327.05042	8.8
327.19644	17.7
328.05295	1.8
328.19830	1.9
332.12628	19.7
339.05042	1.2
339.19528	2.1
341.06357	3.8
341.17343	1.2
341.21075	1.3
343.19052	3.2
344.12689	4.3
345.20660	0.9
351.19464	5.0
353.17413	2.5
357.06168	8.0
357.20645	1.4
358.06198	0.8
362.13861	3.6
365.17426	1.6
369.20667	18.1
370.21011	2.7
371.18610	100.0
372.18939	10.4
377.17609	0.9
383.18610	26.2
384.19083	3.7
387.21768	1.9
395.18643	27.4
396.18967	3.5
401.19656	37.5
402.19827	4.5
413.08609	2.8
413.19687	32.1
413.23901	0.6
414.19913	3.6
431.09943	14.1
431.20715	29.1
432.09830	1.3
432.20947	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	431.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15901	0.6
56.11847	0.5
59.01250	100.0
60.01577	0.6
60.15566	0.5
70.38276	1.1
70.38676	0.9
71.01270	2.8
73.02814	0.9
82.02876	0.9
83.01221	0.8
85.02825	1.4
88.98655	1.3
89.02325	0.8
93.03387	0.6
101.02321	2.3
101.71152	0.6
113.02344	1.3
119.03403	0.6
127.05029	0.7
128.03429	16.3
161.04555	0.8
163.00298	0.5
178.08643	0.7
185.06067	0.7
226.09109	1.3
227.03450	12.2
228.03807	1.0
229.05032	2.4
239.12912	0.7
255.00256	1.1
255.02968	17.3
256.03500	3.0
257.04456	2.0
269.04553	0.6
271.11200	0.9
284.03271	15.7
285.04025	29.8
286.04343	2.3
297.04187	2.2
298.04865	1.0
299.05185	0.6
311.05664	0.9
327.05200	1.8
328.05185	0.6
357.06158	2.2
431.09808	18.3
431.22357	3.0
432.10052	2.8
432.18054	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	431.1604
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25498	1.3
58.02841	5.2
59.01247	49.4
69.56467	9.7
71.01251	10.8
73.02810	3.1
74.02346	11.9
75.00765	1.6
85.02820	7.7
86.02340	6.0
87.05499	2.4
89.02316	4.8
97.03970	1.7
99.05523	11.8
101.02306	7.3
101.07114	1.7
102.05491	2.4
109.03962	2.7
113.02324	4.5
119.03430	1.4
126.01881	1.4
127.05062	2.3
128.03423	29.0
131.07294	1.5
133.02885	3.9
135.05530	3.5
141.06598	3.2
143.04530	42.6
146.04510	2.9
152.07242	1.5
153.06549	3.4
160.00655	8.9
161.04453	2.0
161.34177	1.4
161.43752	1.3
165.05417	2.1
167.04529	1.9
167.20338	1.6
177.03300	4.0
179.04527	10.5
181.06105	1.6
195.10182	1.7
197.05583	1.9
198.08754	1.7
199.07404	1.4
204.06644	1.6
205.03577	1.5
210.08765	5.7
223.04439	1.7
254.07841	9.2
272.08893	16.7
285.03796	2.5
288.06625	7.9
297.04111	2.9
297.12415	1.8
298.04730	3.3
299.05414	4.2
306.07642	100.0
307.08047	7.4
311.05539	4.4
327.05112	13.0
355.12848	3.9
357.06253	6.7
399.11935	3.2
404.14828	5.3
431.09964	10.4
431.14639	3.7
431.19254	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1605
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01661	1.7
50.49336	2.5
55.36111	2.0
58.02847	8.3
59.01247	36.9
63.28080	2.2
67.43306	2.3
69.25740	17.8
71.01262	23.9
72.99180	5.9
73.02834	6.0
74.02341	18.8
75.00763	2.4
77.78059	2.0
82.76544	1.9
83.01256	3.0
85.02821	12.6
86.02354	8.4
86.13682	2.0
86.98986	2.6
87.00777	4.3
87.05542	4.5
89.02322	10.4
98.19868	5.1
98.20516	4.0
99.00756	2.4
99.05518	12.9
101.02334	10.5
102.98476	3.9
113.02330	5.7
119.03399	5.4
120.99600	2.7
122.05994	2.6
123.04376	5.6
125.02377	3.7
126.63567	2.4
128.03424	39.4
132.04350	2.2
141.06572	3.2
142.12425	2.0
143.03464	2.4
143.04520	52.1
145.06123	2.6
146.04509	3.7
153.06592	3.8
160.00635	16.0
166.09787	2.8
167.04564	2.6
167.08188	3.5
168.00468	2.4
177.03194	4.7
179.04543	6.5
181.06117	3.0
195.10161	5.7
197.05489	2.2
204.06528	3.8
210.08752	12.4
228.08427	2.0
249.06000	2.3
254.07806	11.7
269.13364	2.4
272.08917	18.3
283.05179	2.2
288.06638	7.0
297.12384	7.4
306.07623	100.0
307.07892	7.5
311.05664	2.8
315.26791	2.4
341.06537	2.8
355.12946	12.9
399.12024	10.3
404.14883	6.2
431.09714	3.2
431.14590	25.2
431.23648	3.4
432.15192	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	431.1559
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	3.1
56.35447	2.5
57.03311	4.9
59.01245	52.3
61.98718	3.3
69.42191	17.8
71.01253	100.0
72.99167	4.5
73.02813	25.7
81.37987	2.7
83.01257	11.7
85.02819	46.2
87.00749	5.9
89.02317	20.6
95.01250	6.9
97.02811	4.1
99.00744	12.6
101.02320	79.5
105.01811	2.6
113.02317	42.2
119.03391	8.6
129.01733	4.3
137.72986	2.7
143.03371	9.1
159.02843	8.0
161.04471	44.2
175.22475	2.7
195.06499	2.9
205.03603	3.4
269.10278	58.9
270.10593	5.4
431.09827	5.2
431.15546	57.5
432.15720	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	431.1557
Annotation	Zizybeoside I
Peak:m/z	Relative Intensity
53.49224	0.5
55.01761	5.4
57.03327	5.5
58.00443	1.6
59.01249	43.4
68.99686	0.8
69.03314	2.2
70.97736	1.4
71.01252	100.0
72.01581	1.0
72.99188	3.1
73.02818	32.3
75.00751	1.5
81.03335	0.8
83.01258	16.1
85.02821	44.4
86.03146	0.7
86.08597	0.4
87.00745	4.7
87.40607	0.5
89.02314	21.2
95.01261	6.5
97.02844	3.3
97.03410	0.4
99.00752	14.3
99.72860	0.5
101.02322	90.9
102.02668	2.0
111.00767	2.0
113.02328	45.4
114.02653	1.3
115.03844	0.7
119.03389	7.6
125.02336	6.2
129.01822	1.4
131.03416	1.8
137.02339	1.1
143.03389	7.9
159.02896	8.7
161.04463	55.1
162.04802	2.0
165.86191	0.5
179.05521	2.6
205.03523	1.7
205.89658	0.5
209.08159	1.0
221.06558	2.3
233.06589	1.0
245.06674	2.1
261.99805	0.6
263.07718	2.5
269.10284	57.7
270.10730	5.0
313.08975	0.6
323.09869	1.5
431.15552	39.8
432.16034	4.9
453.58514	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1558
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	6.0
57.03328	6.1
59.01247	72.1
69.52499	4.8
71.01260	100.0
71.40443	5.0
71.51291	5.5
71.51740	8.0
72.99161	9.2
73.02816	36.1
83.01256	13.9
83.02581	5.3
85.02829	55.8
89.02319	24.5
95.01261	5.3
99.00739	9.3
101.02318	84.0
103.54331	4.9
113.02329	35.8
119.03392	5.8
123.04408	15.0
125.02355	6.4
129.01808	10.4
138.02660	5.7
140.43332	5.2
157.66425	6.2
159.02846	8.3
161.04472	50.0
205.03386	10.9
242.60619	5.5
253.35345	5.3
269.10211	43.6
409.82837	5.4
431.15625	31.0
432.15976	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	431.0981
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	3.6
65.00196	1.2
69.38364	2.4
69.38794	4.2
71.53286	0.7
77.03828	1.5
79.01800	1.0
81.30275	0.7
95.04919	0.7
97.02863	0.8
105.03342	1.1
107.01301	1.4
109.02840	4.1
117.03383	0.8
119.04916	0.8
121.02818	3.2
125.02387	1.9
133.02846	28.8
133.03845	1.6
134.03476	1.8
135.00769	1.6
135.04404	2.6
137.02315	1.7
147.04414	2.0
149.02354	2.0
151.00261	2.1
151.03938	1.1
156.10146	1.2
161.02344	4.9
163.00282	7.8
163.03946	4.1
163.05075	0.9
165.01825	4.1
175.03941	6.3
177.01842	2.7
179.03441	0.8
185.06129	0.8
189.01961	0.9
191.03468	1.6
193.01360	1.6
196.05420	0.8
197.06053	1.2
199.03897	2.4
201.01869	3.6
205.01414	1.0
208.37877	0.8
209.05862	0.7
211.03966	1.3
212.04700	1.3
213.05496	1.7
217.05011	1.2
225.05492	3.4
227.03456	1.8
227.07074	1.2
229.01389	1.0
229.04929	1.2
237.05475	0.8
240.04199	1.6
241.05028	2.9
243.02913	1.0
253.05104	3.2
255.02957	3.0
255.06557	1.4
256.03714	1.1
257.04324	1.0
265.05322	0.9
268.03784	4.4
269.04544	5.6
270.05249	1.6
281.04584	1.6
283.06113	2.4
284.03284	13.9
285.04047	19.4
286.04337	0.8
297.04025	40.4
298.04785	30.6
299.05551	21.6
300.05832	2.0
309.03995	1.9
311.05603	16.1
312.05978	1.6
324.02728	3.1
325.03406	1.4
327.05078	93.3
328.05490	10.2
329.05383	0.8
339.05099	8.8
341.02887	1.6
341.06702	3.0
357.06140	64.9
358.06516	5.4
369.06155	2.6
377.06732	1.0
387.06924	1.1
395.07587	2.3
413.08762	11.0
414.09195	1.5
431.09805	100.0
432.10098	13.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.0981
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21781	0.4
59.01227	1.0
65.00177	1.2
71.04433	1.1
71.04820	0.4
77.03854	0.5
77.73061	0.4
83.01249	0.7
95.01279	0.5
97.02836	0.8
103.15808	0.4
105.03342	0.6
107.01266	1.3
107.04793	0.6
109.02814	2.6
119.04929	0.8
121.02842	2.9
123.04385	0.6
125.02341	1.7
132.02112	0.6
133.02841	27.1
134.03659	2.0
135.00731	1.1
135.04419	2.1
137.02310	0.8
147.04417	1.5
149.02347	2.4
151.00273	2.1
151.03918	0.7
161.02347	4.0
163.00273	6.8
163.03899	3.7
163.32986	0.5
164.00880	0.8
165.01836	2.9
171.04311	0.6
174.03075	0.8
175.03905	6.9
177.01881	2.3
179.03441	0.6
189.01929	0.7
189.05489	0.5
191.03392	1.5
193.01329	2.1
196.05223	0.7
197.06018	1.1
198.03081	0.6
199.03931	1.8
201.01888	2.2
202.02295	0.5
203.03432	1.6
205.01453	0.5
211.03883	1.2
212.04706	0.9
213.05519	1.2
217.05005	0.9
224.04764	0.8
225.05504	3.1
226.02602	0.7
227.03407	2.0
227.06992	0.6
229.05045	1.0
240.04128	1.0
241.04977	2.0
242.02003	0.8
243.02882	0.6
251.03474	0.7
253.05078	2.7
254.05518	0.7
255.02989	2.8
255.06567	1.0
256.03760	0.6
265.04953	0.5
267.06754	0.9
269.04523	3.8
270.05240	1.8
271.05930	0.6
280.03729	0.4
281.04587	1.2
283.02588	0.7
284.00058	0.6
284.03217	13.0
285.04016	24.3
286.04324	1.9
297.04022	38.6
298.04776	33.3
299.05557	18.4
300.05939	1.3
309.03986	1.8
311.05588	8.9
312.05865	1.0
314.03989	0.5
324.02795	3.0
325.03436	1.6
326.04208	0.5
327.05072	87.0
328.05417	8.3
330.03546	0.5
339.05072	10.6
340.05350	1.0
341.06558	1.6
357.06137	78.7
358.06467	7.6
367.08148	0.8
369.06052	2.5
377.06464	1.4
387.07062	1.3
395.07568	1.9
413.08746	19.0
414.09164	2.1
431.09793	100.0
432.10120	13.7
432.15070	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.098
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18464	1.1
54.15094	1.0
59.01262	1.0
69.15557	11.9
70.87343	0.9
77.03813	2.3
93.03361	2.0
117.03355	15.4
119.04955	1.1
121.02853	3.1
133.02841	1.1
135.04430	2.5
136.55417	1.0
137.87924	1.1
149.02309	1.8
159.04431	4.0
161.02354	7.5
163.00290	2.2
163.03906	3.6
165.01816	3.7
175.00342	1.4
182.03629	1.2
183.04436	2.0
193.01248	1.0
197.05927	2.2
224.04691	1.2
237.05582	1.2
239.07103	1.8
253.05003	1.7
268.03729	3.3
269.04535	9.3
281.04520	15.1
282.05304	11.9
283.06107	76.8
284.06363	6.2
293.04501	2.5
295.06061	10.3
309.04016	1.9
311.05603	100.0
312.05945	10.5
314.04422	2.4
323.05576	15.5
324.06122	1.4
325.07251	1.6
341.06619	37.3
342.07101	3.5
353.06711	2.0
413.08484	1.7
431.09805	32.9
432.10016	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.0986
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	16.2
65.00196	0.8
69.20610	1.6
69.21007	7.9
71.01247	3.0
73.02842	1.3
74.02290	0.7
77.03854	1.3
81.03357	0.7
83.01246	1.0
89.02328	1.8
98.19766	1.8
101.02322	1.4
107.01279	1.2
109.02821	2.2
113.02356	1.1
117.03346	1.5
121.02837	1.9
125.02386	1.1
133.02861	16.5
135.00771	1.3
135.04387	0.9
147.04488	0.8
151.00218	1.0
161.02357	3.6
163.00285	4.6
163.03970	2.2
165.01854	2.0
175.03935	3.5
176.39307	0.9
177.01851	1.9
178.02422	0.9
182.74631	0.8
191.03305	1.1
193.01213	1.1
197.05925	0.9
199.04024	1.1
201.01852	1.5
225.05569	1.7
227.03516	1.5
229.01501	1.0
241.05013	1.9
253.05086	2.4
255.06499	1.3
269.04605	3.5
281.04578	2.1
282.05420	1.6
283.06100	7.0
284.03320	8.5
284.06323	1.6
285.04031	19.4
286.04446	1.9
295.06131	1.5
297.04044	36.3
298.04764	25.0
299.05566	17.9
300.06042	2.2
309.04004	1.7
311.05612	23.6
312.06015	2.3
323.05518	2.0
324.02777	2.5
325.03381	1.7
327.05093	77.1
328.05420	8.1
330.03745	1.1
339.05087	12.7
340.05432	1.8
341.06693	7.2
345.05075	0.9
357.06152	83.0
358.06461	7.7
369.06165	3.5
377.06290	1.0
395.07605	2.8
413.08707	13.5
414.09280	2.2
431.09821	100.0
432.10150	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	431.0981
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	23.2
69.23290	9.8
71.01243	3.2
73.02831	1.4
79.01751	1.3
80.04215	1.1
80.18752	1.0
82.94427	1.0
85.02816	1.4
85.69268	0.9
87.04354	1.4
88.98689	2.1
89.02308	2.0
97.02831	1.5
98.20560	2.1
101.02300	2.4
103.51846	1.2
105.03328	1.1
109.02840	3.3
115.89767	1.0
119.10667	0.9
121.02812	2.8
123.09337	1.2
125.02304	2.5
127.85433	1.1
133.02834	24.4
134.03561	3.0
135.04366	1.7
137.02220	1.6
145.80920	1.3
147.04507	1.6
149.02333	2.0
161.02359	4.0
163.00316	5.3
163.01486	1.0
163.03889	4.4
165.01901	2.7
175.03903	5.7
177.01852	2.8
187.03992	1.2
191.03468	2.1
193.01349	1.8
199.03934	3.1
201.01855	2.4
213.05435	1.8
217.05034	1.6
225.05527	1.3
227.03618	1.4
240.04079	1.5
241.05049	1.7
253.05002	2.4
255.02946	1.7
256.03656	2.0
258.75705	1.2
269.04532	3.2
269.17523	1.5
284.03223	14.3
285.03989	24.0
286.04407	2.2
297.04019	43.2
298.04764	33.1
299.05499	20.2
300.05820	2.6
311.05542	11.0
324.02750	3.1
325.03461	1.4
327.05081	92.6
328.05487	10.6
329.05652	1.3
339.05026	11.0
340.05432	1.1
341.06689	3.3
357.06146	94.1
358.06461	8.1
369.06256	3.8
371.20621	1.4
377.06454	1.7
387.07202	2.1
395.07809	2.4
413.08817	13.9
414.09137	1.8
431.09796	100.0
432.10159	10.4
454.66370	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.0984
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90352	14.9
54.89350	14.0
59.01234	100.0
61.98700	30.8
69.74796	74.3
69.75198	31.2
71.01232	41.8
73.02813	35.3
78.57277	16.7
80.48374	15.8
87.35896	16.0
93.03352	71.3
94.91826	14.8
98.19873	18.5
101.02295	15.9
109.02856	20.8
118.02853	26.1
121.02850	24.0
123.72744	18.4
137.02335	28.6
146.02399	80.6
164.03526	25.8
166.05006	20.1
220.36543	16.5
273.54492	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	431.0984
Annotation	8-C-beta-D-Galactopyranosylapigenin
Peak:m/z	Relative Intensity
52.03013	0.6
54.65890	0.6
55.01693	2.1
55.01960	1.0
57.03280	1.3
58.00410	1.1
59.01186	21.6
59.01503	1.6
69.47091	0.6
70.90103	1.4
71.01184	18.4
71.04813	0.5
72.99140	1.3
73.02818	5.1
74.28792	0.6
77.03791	0.7
79.01751	0.6
81.03275	0.8
83.01250	4.3
85.02819	8.8
87.00689	0.6
87.04407	3.1
89.02312	6.8
93.03292	0.6
95.01201	2.1
97.02765	0.9
99.00689	1.1
99.04328	0.8
101.02317	17.4
109.02818	3.3
113.02333	8.0
117.03261	0.7
119.03297	2.6
121.02738	2.4
125.02247	1.9
127.11752	0.7
129.01781	1.0
133.02847	18.5
135.04358	1.7
137.02264	1.0
143.03302	0.7
147.04367	1.3
149.02324	2.8
151.00214	1.4
159.02827	1.0
161.02238	2.5
161.04376	2.2
163.00291	3.3
163.03885	3.7
165.01808	3.0
173.02330	0.7
175.02493	0.8
175.03886	4.1
176.02628	0.6
177.01764	2.2
179.03255	0.6
183.08012	0.8
185.19958	0.6
189.01759	0.7
191.03438	3.0
193.01271	1.2
193.14551	0.6
197.05881	1.1
199.03946	2.7
201.01778	1.8
203.03458	1.1
211.04012	1.3
211.07446	0.7
212.04817	0.6
217.04930	0.9
224.04787	0.9
225.05418	2.4
226.06075	0.7
227.03442	0.8
231.06508	0.6
240.04239	1.3
241.04881	1.7
243.02803	1.5
251.16431	1.0
253.05014	1.2
255.02892	2.0
255.06560	0.9
256.03659	0.6
269.04581	3.2
270.05057	0.7
275.64676	0.6
281.04395	0.9
283.06189	3.2
284.03226	10.2
285.04010	13.2
297.04022	26.8
298.04749	16.4
299.05582	21.9
300.05881	2.0
309.03864	1.4
311.05563	15.5
312.05862	1.1
323.05743	0.7
324.02527	1.8
325.03381	1.0
327.05063	100.0
328.05402	9.0
339.05051	6.6
341.06534	3.5
357.06113	36.3
358.06439	3.6
369.06180	2.6
377.06757	1.0
395.07742	1.9
413.08789	2.6
431.09879	46.7
431.22742	67.9
432.10178	6.6
432.23062	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	429.2855
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09796	0.7
59.01249	100.0
60.01576	1.1
61.98712	1.1
70.64545	1.5
70.64912	1.3
72.22741	0.7
78.95782	4.5
80.13451	0.7
91.80505	0.8
122.03656	1.5
151.07555	0.9
152.99466	6.6
270.11697	0.8
277.21701	1.3
295.22803	7.7
340.10056	0.7
421.16098	0.7
429.30240	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	429.2854
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85999	1.3
55.74223	1.7
59.01249	100.0
60.40052	1.5
61.98701	2.4
63.44995	1.3
69.22173	15.1
70.53206	1.4
78.95785	2.7
89.02288	1.4
91.03869	2.8
93.49636	1.3
96.95893	2.8
135.04416	1.8
144.11670	1.5
147.75545	1.4
151.07582	1.5
152.99490	5.8
180.05408	1.4
181.56210	1.4
208.83438	1.4
254.59671	1.4
277.21658	1.7
295.22778	9.9
369.14661	1.8
429.29932	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	429.2644
Annotation	Pittosporatobiraside A
Peak:m/z	Relative Intensity
59.01239	3.2
70.27510	2.4
70.27869	2.6
71.01295	1.0
84.45982	1.0
98.20505	1.1
99.37624	1.0
111.04421	8.8
123.04414	1.9
123.08028	2.1
137.81342	1.3
138.93054	1.0
141.34381	1.2
151.03899	9.3
177.01868	1.8
177.09087	2.2
179.07091	2.7
193.08546	2.0
203.07185	7.4
207.06535	8.5
208.07176	2.0
221.08139	100.0
222.08591	7.4
230.42073	1.1
233.08075	1.2
248.06781	2.2
278.11664	3.9
291.12387	7.2
299.73337	1.1
303.15967	3.6
360.19409	8.1
410.33347	1.0
429.26416	92.0
430.26724	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	429.2644
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01485	0.8
59.01246	3.2
62.95704	0.7
65.99715	0.6
71.01208	0.9
71.31062	1.0
72.07954	0.8
73.03641	0.7
80.61684	0.6
93.47750	0.6
111.04404	4.7
113.34365	0.7
123.04374	1.9
123.08057	0.8
143.01024	0.7
151.03917	8.9
163.03896	1.3
165.05476	1.1
166.02599	1.7
177.01755	1.1
177.09071	1.1
180.04193	2.5
191.10773	1.5
193.08630	2.5
203.07028	4.1
205.08539	1.0
207.06467	1.0
208.07361	6.5
209.07988	1.4
217.08638	1.0
219.06557	2.2
221.08138	88.2
222.08795	18.5
223.09198	1.5
233.04320	0.7
233.08133	14.2
234.08736	1.4
235.09715	14.3
236.09941	0.7
247.09755	3.9
249.11183	0.8
261.18610	0.7
277.10770	1.1
287.12952	2.5
289.14410	2.1
290.14932	0.9
303.16229	0.8
306.48831	0.8
343.19226	1.5
345.16946	2.2
359.18472	1.5
360.19363	5.2
429.26416	100.0
430.20868	1.1
430.26736	16.7
447.50815	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2642
Annotation	Pittosporatobiraside A
Peak:m/z	Relative Intensity
57.03316	1.5
59.01246	2.7
59.77198	0.3
64.89564	0.3
69.03318	2.2
69.58829	1.0
69.59246	1.0
71.01254	0.3
71.04880	1.0
73.02789	0.4
75.65266	0.3
78.95793	0.4
81.03322	0.5
83.04897	0.7
83.78207	0.3
85.06463	2.3
87.04384	1.2
96.95848	0.6
109.06449	0.4
111.04388	2.3
111.08022	0.4
113.05971	2.4
121.06470	1.6
123.04404	1.2
123.08031	0.4
125.09609	5.3
135.04390	3.9
136.05186	1.6
137.05981	1.8
137.09601	11.5
138.09943	0.7
149.05949	0.5
149.09584	0.5
151.07550	0.7
151.11143	0.8
153.09023	0.5
163.11154	0.4
181.12199	0.4
189.12723	1.0
193.12178	0.7
195.13864	0.4
203.14323	0.8
205.12283	1.4
207.13850	7.0
208.14166	0.6
217.12251	0.8
221.11806	1.0
221.15453	0.9
247.13368	0.3
257.15384	1.5
259.16968	0.9
275.16458	3.3
276.16748	0.4
277.18060	1.0
315.23117	0.7
317.21313	0.9
341.21143	0.5
343.19229	0.4
345.37781	0.3
359.22275	1.1
369.27353	0.3
381.02512	0.4
385.27609	0.7
411.25558	0.5
429.26389	100.0
430.26715	16.5
449.92349	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2642
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07310	0.5
69.56461	3.8
70.94102	0.5
79.01760	0.6
80.22165	0.5
85.66567	0.5
94.70950	0.6
111.04378	2.9
123.04375	0.8
123.08000	1.1
133.25977	0.5
138.03130	0.7
151.03871	3.3
153.96172	0.5
161.53264	0.5
163.03922	0.7
165.01923	0.6
166.02609	1.6
177.09103	0.6
178.06189	0.5
179.03377	1.1
180.04420	0.5
191.03435	1.8
191.07050	1.1
192.04260	0.6
193.08623	1.1
203.07076	1.6
206.09431	1.7
207.06551	4.1
208.07332	11.4
209.08012	1.2
219.06573	11.7
221.08139	45.3
222.08701	4.8
233.08128	11.9
234.08920	10.7
235.09273	0.8
245.15427	1.7
247.09694	4.4
259.09784	0.9
259.17014	0.7
261.18561	1.1
267.63510	0.5
275.12793	1.0
277.18124	0.5
289.14435	16.0
290.14890	2.9
291.96384	0.6
303.16040	8.8
304.16315	1.2
317.13760	1.9
317.17245	0.7
345.17120	1.6
359.18521	0.8
360.19388	9.7
361.19638	1.1
385.27411	6.3
386.27643	0.9
429.26413	100.0
430.26755	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	429.2642
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03311	1.4
57.53840	0.5
71.14685	0.7
85.06455	0.9
86.76575	0.4
88.06785	0.4
107.96411	0.5
111.04375	4.0
111.77133	0.4
115.47324	0.4
121.06455	0.9
123.04387	1.9
123.08039	0.8
129.25064	0.4
135.08075	0.5
137.05945	0.4
151.03899	2.4
165.05437	4.7
176.48059	0.4
176.55013	0.4
177.09169	1.4
179.03377	0.5
180.04263	0.6
189.09119	2.0
191.03387	1.3
191.10670	4.1
193.08505	0.6
193.12268	0.5
203.07066	1.1
207.06587	4.6
208.07344	1.1
209.08026	0.8
217.08650	2.2
218.08975	0.5
221.08131	32.7
222.08847	7.2
233.08264	0.6
235.09702	78.4
236.10051	4.5
247.17021	2.8
262.11951	0.5
275.13016	0.8
289.14474	5.0
290.15088	1.6
303.15961	5.1
304.16315	0.5
315.23132	0.6
317.17505	0.8
353.34760	0.4
359.18463	0.8
360.19409	3.6
385.27353	0.5
429.26419	100.0
430.26752	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	429.2643
Annotation	Pittosporatobiraside A
Peak:m/z	Relative Intensity
50.95817	0.3
55.01756	0.3
59.01239	1.3
69.93546	1.7
74.93540	0.3
81.66331	0.3
107.04903	0.7
111.04392	3.5
123.04397	2.6
123.08105	0.5
133.52322	0.3
151.03906	10.8
152.04350	0.6
159.04495	0.4
163.03917	0.4
165.05421	0.7
166.02580	0.6
177.01782	1.6
177.09045	0.8
179.03400	1.6
180.04189	4.8
181.04416	0.4
189.83260	0.3
190.70467	0.3
191.03308	0.4
191.10664	0.6
193.08646	3.4
200.25455	0.3
203.05199	0.4
203.07069	5.2
204.07269	0.4
205.08636	0.3
207.06560	0.9
208.07274	2.2
209.08054	0.7
217.08578	0.4
218.00653	0.3
219.06577	0.9
221.08127	100.0
222.08830	27.2
222.10738	0.3
222.27592	0.3
223.09239	1.9
233.08174	3.8
234.08656	0.4
235.09682	5.1
247.09744	0.7
287.12961	0.5
289.14240	0.3
295.77286	0.3
303.16064	0.5
317.14017	0.4
343.19064	0.6
345.17020	0.5
360.19342	3.3
361.19910	0.6
370.03513	0.3
386.75772	0.4
427.66251	0.3
429.26404	69.1
430.26770	12.6
430.31570	0.3
432.36249	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2642
Annotation	Unknow
Peak:m/z	Relative Intensity
60.69319	0.4
66.60898	0.4
71.14608	0.9
79.01783	0.5
100.47315	0.4
101.05613	0.4
106.01075	0.4
111.04417	2.8
123.04434	1.0
123.08092	0.6
151.03914	3.6
165.05481	0.5
166.02693	0.5
177.01817	0.6
177.09073	0.5
179.03503	0.5
180.04213	0.8
193.05037	0.9
193.08627	0.6
203.07063	1.7
207.06554	3.5
208.07298	2.6
215.07104	0.5
219.06470	0.5
221.08131	37.4
222.08823	6.7
233.08165	4.5
235.09702	5.0
247.09718	1.1
287.12894	0.6
317.13794	0.6
345.16919	0.6
360.19434	1.5
391.33661	0.5
429.26422	100.0
430.26752	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	429.2645
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74026	0.6
52.98867	0.7
57.03328	5.5
59.03049	0.6
65.29168	0.6
66.24192	0.6
70.84612	1.1
111.04412	7.6
112.76922	0.6
123.08067	1.0
138.03079	0.9
151.03905	4.9
165.01865	1.2
166.02615	2.2
177.09123	1.2
179.07056	0.6
193.04958	1.5
193.08591	1.2
193.12299	1.1
203.07120	2.2
207.06589	12.7
208.07329	14.7
209.07990	2.6
209.15376	1.0
219.06577	0.8
221.08142	47.6
222.08745	6.2
233.08170	10.9
233.11803	1.7
234.08743	2.7
235.09740	0.9
247.09749	1.1
259.09732	1.2
259.16937	2.2
261.11041	0.6
272.17691	0.6
274.15549	0.8
289.14371	1.7
290.15213	1.0
303.16010	38.5
304.16431	4.6
315.23416	1.5
317.13916	4.9
317.17432	1.4
327.16006	9.4
328.16165	0.8
341.17581	1.1
342.18332	1.8
360.19403	2.2
384.24347	0.8
411.25296	1.2
429.26443	100.0
430.26718	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	429.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
54.49569	0.8
58.00466	1.1
59.01248	100.0
60.01595	0.8
71.01260	15.8
71.01633	1.8
72.99186	0.8
75.00807	0.9
85.02824	3.8
87.00743	1.6
89.02307	17.4
101.02319	9.4
109.02769	0.9
113.02328	7.9
119.03378	7.4
123.04388	0.9
125.02351	0.9
133.02856	4.5
137.09618	2.0
143.03410	2.3
149.04463	0.8
151.02505	1.3
151.03903	2.1
151.46576	0.8
161.02342	1.2
161.04443	2.4
161.13219	1.0
163.00308	1.3
179.05496	3.3
203.21324	0.8
205.12296	1.6
208.92419	0.8
229.96642	0.9
249.11360	1.3
251.05505	2.3
297.04083	3.7
298.04929	4.2
299.05460	1.6
325.03540	4.4
326.04065	1.9
327.05115	4.5
337.03751	1.1
339.05222	0.9
343.04465	1.3
385.06064	1.2
387.20282	2.3
411.07019	2.9
429.08014	6.5
429.21918	1.1
430.08499	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	429.2643
Annotation	Unknow
Peak:m/z	Relative Intensity
55.93751	0.7
59.01245	1.6
61.38750	0.7
71.50681	1.7
76.33542	1.0
78.14295	0.8
111.04359	4.9
115.91967	7.5
123.04390	1.2
144.30551	0.8
151.03899	7.4
165.05440	1.0
176.99751	0.8
177.01776	0.7
177.25630	1.0
179.03400	2.4
180.04187	3.6
193.08580	3.0
203.07082	3.0
207.06572	6.0
208.07253	2.5
219.06610	1.5
221.08136	85.1
222.08859	25.5
223.09325	1.5
233.08179	3.3
235.09752	3.7
235.16855	1.2
236.09970	1.1
258.38239	0.9
267.01114	0.9
287.10568	0.8
360.19363	1.6
429.26416	100.0
430.26727	15.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2127
Annotation	Dendroside F
Peak:m/z	Relative Intensity
55.01758	4.3
57.03313	4.0
58.00451	2.1
59.01249	51.2
60.01600	0.6
70.41104	1.0
70.41505	1.2
71.01252	51.2
72.01585	0.7
72.99190	3.2
73.02815	13.7
82.71986	0.6
83.01257	9.2
85.02821	24.3
85.99982	0.7
87.00762	3.7
89.02316	21.2
95.01266	4.4
95.04889	0.8
97.02824	1.2
99.00738	6.0
101.02318	44.7
102.02652	0.7
111.00741	1.0
113.02325	20.2
114.02695	1.1
117.01840	0.5
119.03378	8.0
119.53082	0.6
125.02325	1.3
129.01852	1.0
131.03438	0.6
133.02840	3.6
135.08034	0.9
143.03410	2.1
155.10687	1.7
159.02887	3.7
161.02400	1.3
161.04457	15.1
163.00249	1.9
165.01852	0.7
179.05597	1.0
187.14897	0.9
189.12816	1.3
201.01846	0.7
205.15897	5.0
213.05475	0.8
223.16852	1.3
249.14830	1.1
253.04829	0.9
284.03397	1.2
285.04034	4.8
297.04007	7.9
298.04700	7.1
299.05560	3.4
301.03482	0.8
311.05676	1.1
313.03561	1.2
324.02557	1.4
325.03430	4.5
326.04211	2.1
327.05087	9.5
337.03494	1.1
339.04953	1.2
343.04575	5.1
344.05090	0.7
357.06226	1.6
383.07785	0.8
385.05606	1.2
385.22379	3.9
411.07291	4.0
412.07568	0.9
429.08926	6.8
429.21283	100.0
430.08826	1.6
430.21597	12.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
54.49569	0.8
58.00466	1.1
59.01248	100.0
60.01595	0.8
71.01260	15.8
71.01633	1.8
72.99186	0.8
75.00807	0.9
85.02824	3.8
87.00743	1.6
89.02307	17.4
101.02319	9.4
109.02769	0.9
113.02328	7.9
119.03378	7.4
123.04388	0.9
125.02351	0.9
133.02856	4.5
137.09618	2.0
143.03410	2.3
149.04463	0.8
151.02505	1.3
151.03903	2.1
151.46576	0.8
161.02342	1.2
161.04443	2.4
161.13219	1.0
163.00308	1.3
179.05496	3.3
203.21324	0.8
205.12296	1.6
208.92419	0.8
229.96642	0.9
249.11360	1.3
251.05505	2.3
297.04083	3.7
298.04929	4.2
299.05460	1.6
325.03540	4.4
326.04065	1.9
327.05115	4.5
337.03751	1.1
339.05222	0.9
343.04465	1.3
385.06064	1.2
387.20282	2.3
411.07019	2.9
429.08014	6.5
429.21918	1.1
430.08499	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	429.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21166	0.4
59.01247	100.0
60.01582	1.0
71.01251	10.9
71.27602	0.8
72.99186	0.7
73.02814	1.0
79.58746	0.4
81.41145	0.4
83.01273	0.6
85.02835	1.9
87.00747	0.8
89.01762	0.9
89.02313	17.4
95.01287	0.6
97.02862	0.4
101.02319	6.7
113.02325	5.8
119.03391	8.2
123.08039	0.4
131.03427	0.8
133.02835	3.6
137.09630	2.0
143.03421	1.9
161.02342	0.6
161.04491	2.1
161.13356	0.6
163.00272	1.4
175.04042	0.5
179.05559	3.7
181.01031	0.4
187.11304	0.5
225.05650	0.8
253.04901	0.6
269.04529	0.9
276.62457	0.4
284.03247	1.3
285.04150	2.0
297.04047	6.1
298.04807	5.1
299.05566	3.8
309.03897	1.0
311.05576	1.1
313.03571	0.8
316.78091	0.5
324.02844	1.3
325.03510	5.6
326.04120	1.7
327.05106	9.3
328.05457	0.9
330.03696	1.1
337.03506	0.8
339.05115	1.5
343.04529	3.0
355.04614	0.8
357.06113	1.2
369.19174	0.9
385.05853	1.0
387.20316	0.6
411.07217	3.7
429.08112	9.5
430.09003	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	429.0893
Annotation	Unknow
Peak:m/z	Relative Intensity
55.55924	1.7
59.01269	2.0
70.78284	3.9
87.95222	1.8
94.92758	1.6
96.95922	1.7
108.01923	4.3
122.03474	2.4
127.05099	1.4
150.01714	4.8
150.02858	1.7
151.02519	100.0
152.02840	2.1
165.04091	13.7
193.03610	2.0
207.05257	3.8
283.06842	33.9
284.07156	2.0
429.08923	26.3
430.09277	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	429.1947
Annotation	Unknow
Peak:m/z	Relative Intensity
58.25729	0.3
59.01244	0.6
64.34647	0.3
69.63103	0.9
69.63528	0.8
71.01262	0.3
98.19874	0.5
99.92461	5.3
100.93235	2.9
115.91959	100.0
116.91965	5.9
116.92748	5.9
123.05996	0.3
128.36632	0.3
132.92218	0.9
172.95395	5.5
173.95360	0.3
174.96796	0.2
208.54907	0.2
210.82990	0.3
255.23329	0.8
355.15762	0.6
381.17432	0.8
411.18683	0.3
424.67456	0.3
429.19495	3.9
430.19791	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.0897
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19765	0.5
57.26071	0.6
60.44378	0.5
70.84396	1.2
70.84734	0.7
108.01920	2.8
122.03510	1.1
126.02976	0.7
129.64702	0.7
150.01738	3.8
150.02924	1.6
151.02521	100.0
152.02800	2.3
165.04088	17.5
166.04424	1.0
185.51453	0.8
191.05669	1.3
193.03607	2.7
207.05171	5.4
235.04625	1.2
283.06833	52.2
284.07101	4.1
367.08838	0.7
369.07001	0.9
429.08954	35.2
430.09262	2.9
446.26782	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.0893
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13181	0.4
61.60268	0.3
62.13493	0.4
67.06352	0.3
69.23013	1.6
69.23439	2.3
70.39614	0.4
76.96474	0.4
79.62714	0.4
87.00745	1.3
96.95894	5.5
98.19836	0.7
101.02301	0.4
106.03969	0.8
108.01924	4.0
122.03468	2.4
126.02953	0.6
150.01752	5.2
150.02988	1.2
151.02528	100.0
151.89078	0.4
152.02954	2.2
165.04103	16.5
176.98566	1.7
189.65167	0.4
191.05714	1.5
193.03609	2.0
207.05174	6.3
235.04733	1.2
283.06845	51.1
284.07257	3.2
325.07913	0.6
367.08679	0.7
369.06891	1.2
398.41858	0.5
429.08969	35.2
430.09253	3.8
433.20612	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.0822
Annotation	Derhamnosylmaysin
Peak:m/z	Relative Intensity
53.24158	1.4
59.01247	29.6
71.01247	10.4
71.51071	1.8
71.57067	1.6
73.02812	4.0
83.01270	3.0
85.02815	4.3
89.02338	4.9
93.47234	1.5
95.68694	1.5
96.54217	1.4
101.02335	8.3
101.54174	1.5
105.01392	1.4
107.01301	1.8
109.02851	7.0
113.02306	2.0
117.10999	1.7
121.02790	3.0
125.02331	8.1
133.02835	28.8
134.03564	3.6
135.04420	2.5
137.02333	2.2
137.09576	1.9
151.00247	2.9
151.02710	1.6
151.03940	7.3
161.02345	6.7
161.04430	1.8
163.00278	9.9
163.03963	4.1
165.01811	4.5
175.03899	5.6
177.01822	5.8
189.01889	2.0
193.12291	1.7
197.05984	1.6
199.03909	4.5
201.01891	4.6
213.05573	2.6
213.95670	1.7
215.03336	2.2
225.05438	3.0
225.14893	3.5
233.04346	1.5
241.04938	2.4
251.05595	12.4
253.05048	4.6
255.02971	3.0
257.04529	2.4
268.80185	1.7
269.04626	4.5
270.05304	2.4
284.03226	5.7
285.04019	22.8
286.04285	1.8
297.04010	46.3
298.04797	56.3
299.05560	27.2
300.05719	1.7
301.03531	6.3
309.04236	2.1
311.05487	5.8
313.03595	5.7
324.02759	9.6
325.03503	26.0
326.04257	17.5
327.05066	100.0
328.05356	10.8
330.03857	7.8
337.03525	6.3
339.05054	6.8
343.04605	26.6
355.04581	4.8
357.06180	6.5
367.04251	2.2
367.08618	2.2
369.19324	3.1
383.07590	2.9
387.20157	5.8
393.06085	3.8
411.07172	27.0
412.07465	3.7
429.08264	40.1
430.08414	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	429.0827
Annotation	Derhamnosylmaysin
Peak:m/z	Relative Intensity
50.05516	0.6
57.03289	0.5
59.01245	4.4
61.98688	2.3
65.00182	1.3
69.44881	5.3
72.08852	0.7
77.03825	0.9
79.01743	1.1
83.01242	0.8
85.02818	1.5
85.86208	0.6
93.03297	0.8
101.02287	0.7
103.04174	0.6
107.01229	0.9
109.02830	3.7
119.04923	1.7
121.02837	2.1
123.60804	0.6
125.02328	1.3
133.02847	25.1
134.03247	0.7
135.00743	1.5
135.04391	1.5
145.02788	1.1
147.04411	0.7
149.02357	3.5
151.00258	1.6
151.02623	0.7
151.03947	0.8
161.02335	6.4
163.00269	9.5
163.03879	2.8
165.01842	2.8
175.03874	2.8
177.01814	0.6
185.05916	0.6
189.01840	1.3
190.99809	2.5
193.01385	0.9
197.05940	0.6
199.03902	1.7
201.01802	3.0
207.02907	2.9
211.04044	1.4
213.05434	1.9
217.29509	0.7
225.05537	2.9
226.02811	0.7
227.03456	2.6
228.04146	0.8
229.04941	0.9
241.04980	2.0
243.02835	1.4
250.14531	2.2
251.03436	1.3
253.05096	4.3
255.02818	3.4
255.06544	1.6
257.04520	1.7
269.04474	3.7
275.05634	1.1
280.03796	0.9
284.03210	6.8
285.04022	17.7
286.04395	1.4
297.04028	46.2
298.04645	10.2
299.05609	25.4
300.05890	2.4
301.03552	3.3
311.05573	2.1
313.03467	1.8
325.03516	30.4
326.03973	3.0
327.05084	47.2
328.05328	4.6
330.03702	0.8
337.03641	1.2
339.05115	1.8
343.04559	100.0
344.04947	11.1
355.04520	0.9
357.06253	1.7
393.06055	1.4
411.07251	0.9
429.08054	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	429.0827
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12072	0.8
50.50892	0.7
50.62944	0.7
57.03323	1.2
59.01252	39.6
65.00209	1.5
69.20911	5.7
69.21334	3.6
71.01251	12.2
72.99176	1.3
73.02811	4.4
77.03848	1.6
79.01786	1.0
83.01255	2.6
85.02831	5.6
87.00738	1.2
89.02319	5.6
91.24575	0.8
93.03345	1.0
95.01260	1.0
101.02326	9.3
107.01328	0.9
107.04880	1.1
109.02838	3.9
113.02296	5.1
119.03426	2.1
119.04932	1.3
121.02838	3.0
125.02305	2.2
133.02840	26.6
134.03586	0.8
135.00797	1.7
135.04428	3.2
147.04544	0.9
149.02362	3.0
151.00298	1.4
161.02390	7.6
161.04407	4.6
163.00258	10.0
163.03909	4.0
165.01894	4.3
173.02357	1.1
175.03914	4.3
177.01888	1.7
179.05453	1.3
189.01880	1.5
190.99707	1.1
191.03386	1.8
193.01370	1.8
197.05840	0.9
199.03920	2.4
201.01799	1.9
202.99686	0.9
205.15942	1.3
207.02846	1.5
209.06116	0.9
211.03998	2.1
213.05516	1.5
223.13332	2.1
225.05518	4.1
227.03452	2.3
229.05054	0.9
233.04596	1.0
240.04230	1.6
241.05051	2.7
253.05037	4.5
255.02936	2.8
257.04538	2.4
267.12381	3.2
267.15817	1.4
269.04520	5.8
270.05264	1.2
275.05646	1.8
279.02982	1.9
283.06229	1.4
284.03183	8.7
285.04041	31.5
285.07230	1.6
286.04431	2.9
297.04028	63.0
298.04767	54.4
299.05579	36.6
300.06018	2.6
301.03668	6.4
309.04163	1.7
311.05560	7.4
313.03555	7.0
314.03720	1.2
324.02753	7.4
325.03543	44.6
326.04184	15.5
327.05081	100.0
328.05429	8.6
330.03793	4.6
337.03519	11.5
339.05057	8.2
341.02838	1.2
343.04553	85.4
344.04916	10.5
355.04532	7.0
355.08282	1.3
357.02051	1.3
357.06036	7.1
365.06406	1.0
367.04706	1.7
369.06119	1.2
369.19174	0.9
383.07648	3.1
385.05548	3.3
387.20316	2.2
393.06204	4.1
411.07217	27.9
412.07498	3.0
429.08273	33.7
429.21268	18.9
430.08496	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	427.2698
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	100.0
60.01560	1.2
61.17099	0.9
61.98695	5.3
68.41049	0.7
71.01247	0.8
71.14425	2.0
74.25254	0.9
78.95795	0.9
89.02304	0.9
91.03899	3.4
93.97224	0.7
96.95882	0.9
99.92467	3.4
115.91966	2.1
116.92738	1.9
118.89844	5.8
131.55931	0.7
135.90198	1.2
137.11813	0.8
145.31485	0.8
152.09636	0.7
183.35150	0.8
244.34528	0.8
269.30554	0.9
275.20001	0.8
286.48047	0.7
291.19785	1.4
293.21249	14.0
294.21692	1.4
311.22208	5.0
352.65051	0.9
374.11856	1.9
392.13147	1.1
405.95724	0.8
427.21478	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	427.2853
Annotation	meso-octamethylcalix[4]pyrrole
Peak:m/z	Relative Intensity
50.39785	1.2
98.20528	2.7
108.48597	1.6
125.05984	2.6
143.46674	1.4
147.34254	1.2
166.02681	1.8
205.08585	1.6
222.08945	5.2
229.14423	1.6
243.13884	1.6
245.15421	3.7
247.09732	10.9
247.16675	1.2
267.29178	1.3
271.13458	1.7
289.14459	65.1
290.14801	6.0
354.83334	1.3
358.21457	2.3
361.42081	1.4
383.29364	3.1
427.28513	100.0
428.28781	16.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2698
Annotation	Unknow
Peak:m/z	Relative Intensity
56.82275	0.9
58.78837	0.7
59.01249	100.0
60.01579	1.0
60.40933	0.9
61.98697	4.6
71.01246	3.0
71.49567	1.4
78.57447	0.7
91.03850	1.9
96.95863	1.0
97.31923	0.9
107.91154	0.8
172.69833	0.8
208.49771	0.9
209.19896	0.8
246.78807	0.9
250.35558	1.0
275.20175	1.9
293.21176	10.1
294.21457	1.1
311.22305	10.3
432.32095	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.27
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30076	2.6
52.73147	2.9
53.48830	3.0
59.00959	5.2
59.01253	100.0
61.98712	4.4
71.51511	4.3
140.02495	3.6
159.68538	3.3
212.95071	3.3
224.43758	3.4
257.15686	3.7
293.21155	6.8
398.16638	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	427.2697
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01172	1.0
59.01247	100.0
60.01594	1.1
61.98698	2.0
63.17489	0.8
66.12295	0.8
71.50716	1.8
78.95782	1.3
88.70490	1.1
90.82058	0.9
96.95872	2.2
96.96845	1.1
129.49907	0.9
150.40778	0.9
153.37978	0.9
208.82077	0.9
220.78928	0.9
247.56184	1.0
293.21170	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	427.2697
Annotation	Unknow
Peak:m/z	Relative Intensity
58.69145	1.3
59.01247	100.0
60.01571	2.6
61.98701	10.8
71.01254	2.9
71.50069	2.4
71.98981	1.6
96.95867	2.0
99.92442	1.7
106.08429	1.4
118.89837	1.6
119.94595	2.0
121.02819	1.9
139.31599	1.4
143.36005	1.3
195.13792	2.8
225.14845	2.4
249.22218	1.8
249.96004	1.5
281.50558	1.4
293.21234	20.1
294.21408	2.7
309.24374	1.9
311.22232	37.5
312.22696	4.3
317.21188	1.8
335.22269	12.9
385.25778	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	427.2698
Annotation	PGF2alpha-G
Peak:m/z	Relative Intensity
59.01248	100.0
60.01572	1.3
61.98690	5.1
64.16524	1.0
71.01248	1.6
78.78248	0.9
96.95888	1.2
107.55126	1.0
115.07520	2.4
161.59296	1.0
165.12720	2.4
183.13811	1.8
188.76622	1.0
195.13861	4.3
207.58165	1.0
213.14912	1.3
225.14996	5.0
237.14964	1.8
241.14391	1.6
249.22215	3.0
255.15855	1.3
291.23300	2.7
293.21210	34.9
294.21646	2.8
309.20743	1.5
309.24139	2.3
310.21130	1.3
311.22229	53.9
312.22595	5.9
317.21082	1.6
335.22269	20.5
336.22598	2.2
353.23105	1.7
367.24719	2.1
385.25906	3.3
409.26215	1.7
427.27213	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	427.1608
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	100.0
60.01590	1.6
61.98691	1.4
62.38157	0.4
69.01526	0.5
71.01224	0.5
71.49747	0.7
76.20807	0.4
76.93742	0.4
78.95782	0.5
87.00774	0.5
87.91052	0.4
91.34976	0.4
129.63922	0.4
140.64955	0.4
148.05200	8.0
163.07552	6.8
163.88849	0.5
169.12085	0.5
178.81192	0.5
201.90535	0.5
235.05016	0.4
307.32373	0.5
356.16364	0.6
375.77167	0.5
428.89935	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73834	1.5
59.01236	5.1
61.98710	4.1
71.01255	35.7
71.52102	2.7
72.99174	11.9
78.83347	1.7
82.22707	2.2
114.99485	2.6
115.00252	19.5
121.02860	9.8
123.01807	2.0
133.01353	9.5
138.82680	1.9
158.02483	1.9
167.14343	2.9
171.10193	1.8
195.13890	8.6
241.61229	2.0
293.21204	6.6
311.22266	100.0
312.22739	11.9
385.56824	1.9
409.22369	4.4
409.88583	1.8
427.10248	3.4
427.23331	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	426.301
Annotation	Tortifolisine
Peak:m/z	Relative Intensity
58.02841	8.2
61.77106	7.1
68.10353	6.8
71.50993	11.6
90.01670	6.4
144.70998	7.9
147.04425	37.7
149.05934	14.3
164.07063	76.4
224.40215	6.9
234.13457	7.3
363.83011	6.9
426.30054	100.0
427.30563	21.8
449.15176	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	427.067
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	3.6
65.00191	0.5
70.61697	0.8
70.62038	1.0
71.01257	0.9
73.02830	0.6
78.95752	0.5
81.65591	0.4
85.02831	0.9
85.11726	0.4
86.31131	0.5
87.00745	0.8
101.02331	0.6
107.01237	0.5
109.02807	2.4
114.01871	0.5
117.03360	0.8
119.01250	0.5
123.00774	0.9
133.02849	25.8
134.03177	1.2
135.00795	0.6
143.01256	0.5
145.02858	0.8
153.37106	0.5
157.02893	0.6
159.04425	1.4
161.02325	2.5
163.00296	2.2
163.03922	0.7
173.02341	0.7
175.00294	2.6
175.03961	3.0
177.01831	2.0
178.99748	1.2
183.04436	0.6
185.02354	1.7
187.00319	3.1
187.03908	1.7
189.01935	0.6
199.03920	1.8
201.01903	5.9
202.02260	0.8
202.99799	4.9
203.03433	1.5
211.03870	0.7
213.01884	0.8
217.04996	0.8
221.06055	0.5
221.15562	0.9
225.05481	0.7
227.03426	0.9
229.01389	1.1
229.05116	1.0
231.02950	4.5
237.05508	1.5
239.03528	0.7
243.02893	0.8
245.04649	1.2
248.04688	0.7
249.05589	1.5
251.03305	0.9
253.04999	1.4
255.03004	2.7
257.00815	2.6
263.03595	0.7
265.04953	1.9
265.14462	2.0
267.03043	0.9
273.04010	2.1
277.05017	1.0
279.02979	0.7
279.06683	0.5
281.04697	1.0
285.04028	6.2
291.06808	0.7
293.04645	5.0
294.05215	1.9
295.02603	0.8
295.06046	1.2
297.04031	8.4
299.02039	1.0
307.06000	0.9
309.04056	37.2
310.04611	6.2
311.02170	1.0
311.05585	8.1
312.05957	0.8
313.03558	16.8
314.03891	1.4
318.21237	0.5
319.06152	1.1
321.04037	8.9
321.07663	1.0
321.79990	0.5
322.04718	4.7
323.05585	2.6
335.05615	3.9
337.03568	23.3
337.07233	4.5
338.03964	3.3
338.07452	0.8
339.04938	1.0
347.05493	0.7
349.03430	1.9
353.06760	0.9
363.05093	9.7
364.05380	1.2
365.06589	8.1
366.03802	2.1
366.07526	0.9
367.04489	4.9
381.06128	4.5
382.06381	0.6
391.04590	12.7
392.04858	1.8
409.05640	100.0
410.05981	14.9
427.06616	27.1
427.19675	1.7
428.07111	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	426.2682
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01241	3.6
60.97392	2.4
63.42591	1.7
63.96090	6.1
66.67606	1.7
71.53360	3.0
72.00775	12.2
74.02343	7.2
76.96890	5.2
77.00538	2.7
78.95748	2.2
79.95607	5.1
83.04924	1.9
86.00561	10.9
86.16350	1.7
94.14532	1.7
98.06026	1.8
100.00323	1.9
100.03917	5.2
139.06010	1.9
148.45155	2.2
164.03777	27.3
181.48479	1.7
206.04662	2.5
261.22232	5.2
304.26468	9.4
306.24524	2.4
318.28012	30.8
318.31680	1.4
319.28561	4.0
335.24649	3.1
362.27170	8.4
379.56564	2.0
411.24490	8.2
426.26855	100.0
427.27133	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	426.1405
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06824	2.3
57.03308	5.1
58.00465	5.9
59.00961	5.3
59.01249	100.0
69.83634	2.7
69.94790	2.7
70.63603	7.0
71.01250	98.6
72.99184	5.9
73.02813	15.6
78.95760	8.1
81.03401	2.5
83.01267	7.5
85.02818	53.6
87.00764	12.1
87.67164	2.2
89.02312	87.9
95.01266	5.2
97.02828	8.9
99.00748	10.3
101.02332	23.4
113.02332	64.7
119.03370	4.3
121.02837	3.1
125.02332	6.9
131.03471	31.6
133.64618	2.4
135.04425	13.5
143.03374	10.6
147.04376	4.6
149.04449	30.0
150.01250	2.3
150.86084	2.8
151.25948	2.8
153.09119	4.3
158.92419	4.7
161.04446	22.6
188.05534	3.7
191.05531	6.8
205.07144	3.2
205.12302	4.3
215.05542	8.4
231.06490	4.3
233.06537	4.7
261.55023	2.7
293.08783	46.2
294.09109	4.4
426.02274	2.7
426.14163	21.8
427.14395	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	426.1405
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	1.7
57.03322	2.0
58.00467	4.4
59.01249	78.5
60.01565	1.0
61.31826	0.7
67.55705	0.8
69.03321	8.1
69.85007	4.0
71.01253	91.2
72.01585	1.6
72.99181	4.4
73.02824	6.0
81.03316	3.3
83.01257	4.9
85.02820	12.4
87.00748	3.0
89.02316	100.0
90.02642	1.6
95.01264	2.3
97.02828	8.7
99.00742	3.0
101.02322	15.0
107.64973	0.9
108.71421	0.8
109.02823	1.2
111.00810	0.8
113.02329	14.4
114.02760	0.7
119.03355	3.6
125.02335	23.7
126.02681	0.9
129.81287	0.9
131.03413	23.1
139.03917	4.2
143.03400	2.9
149.04460	39.7
150.04822	1.3
161.04495	0.8
161.06110	0.7
165.63962	0.8
167.03426	1.4
175.03963	2.2
191.05521	3.1
215.05536	3.4
227.13585	0.8
233.06606	1.8
275.08276	0.8
293.05597	1.5
293.08777	16.3
294.09180	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2909
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	1.0
59.01242	9.8
61.98682	2.2
69.03323	1.0
69.27969	2.2
69.28391	4.5
71.01245	2.4
75.00755	0.8
80.11855	0.7
80.39762	0.6
85.02827	0.9
96.95917	1.5
99.88552	0.7
111.07992	0.8
119.17337	0.6
121.06362	0.8
135.04475	0.7
155.10680	2.5
165.12805	1.0
183.13832	10.9
193.12315	1.4
195.12056	1.6
195.13821	24.3
196.14127	2.7
203.20433	0.7
211.13324	32.5
212.13704	2.5
213.14900	9.1
237.11324	2.0
291.19592	3.2
309.20685	3.5
315.26959	3.6
333.20816	1.5
333.28076	0.9
335.22083	1.8
341.24802	1.1
347.22391	2.0
359.25922	3.4
377.26917	3.5
382.15875	0.8
407.24020	1.7
425.29099	100.0
426.24191	1.2
426.29520	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	425.2544
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38857	0.8
51.43910	0.7
59.01250	100.0
60.01578	1.5
61.98695	3.1
65.15018	0.9
66.06189	0.8
70.83140	1.6
70.83510	1.5
71.01250	2.8
72.99184	0.7
75.00768	0.8
89.92448	1.1
90.93248	1.8
91.44353	0.8
96.95870	1.0
155.10649	1.4
165.12732	1.2
238.48872	0.8
290.73993	0.9
291.19653	5.0
309.20648	5.8
330.44022	0.8
335.22476	0.8
348.60239	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.218
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15580	0.8
54.45996	0.8
59.01248	40.4
59.69502	0.7
61.98686	3.8
69.75811	2.0
69.76213	4.2
71.01254	24.2
72.99186	7.3
83.04900	0.7
83.32595	0.7
95.04877	1.0
98.20645	0.9
99.00768	0.9
109.06418	1.1
111.08035	1.2
115.00258	4.4
125.09545	1.2
127.11206	0.8
133.01321	1.3
151.11177	1.6
153.12715	2.9
154.97411	0.8
155.10626	1.8
157.99300	0.8
165.12714	1.4
167.10660	1.2
179.14354	1.8
181.12250	2.3
193.15906	1.2
197.11740	2.6
207.13823	1.5
209.11676	1.4
211.13252	1.1
215.12865	1.2
223.13354	1.2
247.20660	2.9
259.13208	1.4
273.18558	1.8
281.21350	1.3
291.19629	21.7
292.19955	2.6
307.19083	1.0
309.20688	100.0
310.21024	10.1
319.22604	1.0
335.22186	5.4
336.22388	0.9
371.22501	1.4
407.20084	1.0
425.29279	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2543
Annotation	Unknow
Peak:m/z	Relative Intensity
57.50225	0.7
59.01249	100.0
60.01583	1.2
61.98699	2.9
69.42819	2.8
69.43246	4.3
71.01244	2.6
80.39072	0.8
91.37507	0.9
127.11176	1.0
165.12750	1.5
175.74725	0.9
193.88564	0.7
197.11746	0.8
201.84372	0.7
209.11823	1.2
247.13461	1.4
268.88187	0.9
278.67291	1.0
289.18033	1.3
291.19724	4.7
295.22668	2.4
307.19293	0.9
309.20795	8.7
310.20844	1.3
317.21170	1.0
335.22318	5.2
347.22043	1.7
365.14655	0.9
377.22906	1.1
425.26050	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.218
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14597	0.5
53.39713	0.6
56.26348	0.5
57.03335	0.7
59.01246	2.1
61.98685	0.6
66.88454	0.6
69.95089	0.6
70.41589	1.5
71.01252	35.5
72.99178	10.3
72.99577	0.8
73.02801	1.6
75.00748	0.7
82.11169	0.5
87.00775	0.7
89.02305	2.3
93.50121	0.7
97.06461	0.8
111.08015	1.1
113.09598	1.4
115.00259	15.2
115.07480	0.7
126.06770	0.8
129.09148	1.1
133.01337	6.5
137.02275	0.8
141.09081	1.2
143.10696	0.9
150.72009	0.8
155.10660	2.9
157.12268	0.8
165.12747	3.5
167.10774	1.0
178.09946	0.6
181.12288	2.2
193.12263	1.7
207.13737	0.6
211.13275	2.8
221.15388	1.0
237.11313	1.1
237.14873	0.7
240.13522	0.9
241.14014	0.8
247.20720	3.0
273.18588	1.8
277.21603	0.7
281.21191	0.8
291.19666	21.5
292.20023	2.7
295.22726	1.0
309.20697	100.0
310.21036	12.3
319.22598	0.7
321.20752	1.8
333.20755	1.5
335.22192	1.9
347.22186	2.6
363.21490	1.1
371.22394	1.0
377.23380	0.9
389.23352	2.4
407.20706	2.6
407.25067	1.3
425.20856	1.1
425.29309	1.6
426.25751	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1946
Annotation	Unknow
Peak:m/z	Relative Intensity
55.75538	17.7
56.78309	21.6
59.01233	62.1
62.60065	18.2
69.89156	20.0
69.89472	100.0
71.01254	27.7
75.00713	48.3
79.34505	15.0
85.02824	33.5
85.57286	18.6
133.79854	18.2
163.30321	21.0
209.02855	24.7
302.56635	18.8
329.73422	17.2
425.13721	33.8
425.19327	81.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.1824
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47442	0.9
53.51646	0.8
59.01255	6.4
61.98699	100.0
69.44663	2.1
69.45074	4.9
70.97337	0.7
71.01257	4.5
83.18838	0.9
85.02850	1.4
89.02283	1.0
99.45905	0.8
99.92471	1.0
100.03171	0.8
101.02311	1.1
120.99490	0.9
137.07156	1.1
180.43259	0.8
187.02321	0.8
227.13004	0.8
310.99350	0.9
361.18808	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	424.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
56.00020	0.4
59.01246	100.0
60.01576	1.1
61.98699	23.5
68.69432	0.3
71.01251	0.8
71.50678	0.6
78.91570	0.4
78.95782	0.8
81.38901	0.3
82.09059	0.3
96.95892	0.6
111.61639	0.3
121.16780	0.4
126.77578	0.4
152.99463	0.9
160.10451	0.4
267.98087	0.4
331.90344	0.4
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
58.74348	0.3
71.43288	0.4
78.95775	12.5
93.94636	0.3
110.98409	8.9
125.55389	0.3
127.71659	0.3
152.99495	0.6
166.99696	0.6
167.01053	10.7
168.01268	0.3
173.85229	0.3
185.02133	2.6
255.23260	100.0
256.23630	9.9
256.26410	0.5
297.26245	0.3
423.25177	17.1
424.25455	2.1
438.66357	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.1248
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	100.0
60.01587	3.3
61.81089	2.6
67.11676	2.3
68.01277	5.6
69.43218	6.6
69.43623	11.6
70.36132	2.4
71.01240	6.0
79.81591	2.6
83.01347	2.8
83.06913	2.7
85.02806	2.6
86.63801	2.3
87.00745	91.8
88.03934	5.3
110.02316	3.7
113.02348	3.8
138.98506	2.5
140.15744	2.2
147.04413	5.4
160.58171	2.3
161.04472	4.9
175.22522	2.7
230.06567	11.7
339.37866	2.7
371.63934	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	423.2514
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69258	0.4
55.20916	0.4
61.34278	0.4
61.71194	0.4
64.59672	0.4
69.22904	4.1
78.95768	14.8
96.95896	0.4
104.97343	0.7
109.90118	0.4
110.98400	9.4
144.31831	0.4
152.99411	0.7
166.99681	0.7
167.01057	11.5
174.98581	0.4
185.00661	0.3
185.02087	2.7
224.47441	0.4
255.23257	100.0
256.23605	8.8
270.13300	0.4
357.70190	0.4
423.25110	16.3
424.20184	0.4
424.25253	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2517
Annotation	CHEBI:74840
Peak:m/z	Relative Intensity
61.52680	1.3
65.98153	1.2
66.31606	1.3
70.35411	1.1
71.50356	1.9
78.95771	78.9
82.92049	1.2
93.22518	1.6
96.96844	3.4
110.98431	6.6
150.97981	2.0
152.99486	100.0
167.01024	8.0
171.00583	2.7
184.01965	1.2
185.02097	2.8
189.33548	1.2
255.23277	82.7
256.23596	6.5
269.24893	1.4
270.84601	1.3
318.17056	1.3
423.25168	27.4
424.25629	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	423.1792
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	36.7
60.29967	9.6
61.55212	11.2
61.98715	12.8
67.08540	10.5
69.29227	100.0
71.01255	22.5
77.41777	9.6
85.02840	14.8
87.00746	13.1
96.03851	9.3
98.20625	20.6
98.96744	10.6
101.02338	17.1
118.97905	13.0
150.03123	11.2
165.05443	13.7
171.36111	11.6
193.65761	11.1
298.25598	11.2
389.53198	10.0
423.17517	18.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2386
Annotation	Blumicin A
Peak:m/z	Relative Intensity
57.03317	4.0
59.01243	4.7
61.98692	3.6
62.84935	0.8
67.01752	0.9
71.01240	3.0
71.29693	1.0
71.30013	1.7
73.02782	1.3
75.00743	1.6
78.82582	0.9
78.95732	1.3
80.02534	1.6
81.03311	1.5
83.01249	1.6
85.02808	3.1
95.04900	6.2
96.95878	2.7
107.04915	1.2
108.02013	2.4
109.06449	6.6
111.00764	10.5
121.02806	1.4
121.06514	1.3
122.03591	1.2
123.08097	1.1
125.09607	4.1
127.07538	2.8
129.01804	5.3
135.04382	1.4
135.07982	1.4
137.02344	1.1
147.04393	2.2
149.05925	1.7
151.07529	1.4
153.09097	16.3
154.09421	1.1
161.05975	1.7
165.12770	4.0
167.10724	1.8
175.37938	1.0
176.08253	1.3
177.12740	2.6
183.13702	1.7
189.12762	1.4
191.14278	3.0
203.10742	2.0
203.14326	1.3
204.11218	1.2
205.12247	4.3
207.13988	1.2
211.13304	2.2
215.14250	1.4
217.12242	1.9
219.13733	1.1
221.11778	3.5
221.15289	1.2
223.13313	13.5
227.12801	1.2
231.13794	3.4
233.15378	1.9
235.13359	7.0
237.14862	3.2
247.13385	5.3
249.15042	1.6
253.14450	2.2
259.13351	11.3
259.16162	1.5
260.13708	1.3
265.14478	3.4
271.20657	1.8
277.14328	6.1
287.20132	1.8
289.21487	1.8
293.21222	21.0
294.21445	2.8
295.15866	1.8
311.31262	1.0
313.17941	1.2
315.19614	3.8
327.19406	1.8
331.19159	9.2
333.20676	100.0
334.21078	12.3
343.22604	1.6
345.20651	33.0
346.20926	4.1
347.22235	1.3
357.20792	2.1
369.20657	12.5
375.21649	8.3
376.22180	1.4
387.21701	11.7
388.21619	1.5
405.22800	11.0
423.24432	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	422.1604
Annotation	Unknow
Peak:m/z	Relative Intensity
56.77316	4.2
58.92753	6.1
59.01244	24.5
59.30868	5.3
59.98219	4.4
61.98705	4.3
69.19895	18.3
69.20324	26.0
71.01259	11.8
71.37405	4.8
74.02338	20.9
82.02835	5.0
85.02814	9.7
86.02349	8.3
87.05505	7.0
89.02336	7.0
99.05516	16.1
101.02339	5.5
102.05483	4.7
112.03917	6.5
116.65561	4.7
116.92749	5.6
119.03351	5.5
127.05073	5.5
128.03433	46.6
135.05493	6.2
137.96614	4.1
139.03629	4.3
141.06580	6.3
143.04532	71.3
145.02838	7.2
146.04468	6.4
146.80161	4.3
151.04903	4.8
153.06648	5.2
158.00558	4.3
160.00633	11.2
165.05508	4.5
179.04561	12.9
210.08762	6.9
214.31775	5.1
254.07835	15.7
259.02075	9.3
260.02762	7.6
260.09305	4.8
271.02505	8.2
272.02713	12.2
272.08969	26.2
273.03500	9.6
288.06601	9.6
301.03436	10.6
302.03815	35.5
306.07663	100.0
307.07947	8.3
332.04935	21.3
382.61505	6.1
404.14758	4.8
422.07922	12.8
423.18060	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	421.2595
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06816	2.2
51.51249	2.3
52.79912	2.2
59.01235	5.3
61.98690	5.0
69.03320	3.9
69.26409	22.0
71.01256	71.6
71.28461	2.4
78.95782	5.7
80.31415	2.2
83.01254	6.3
85.02824	17.3
97.02822	4.7
99.00764	6.1
101.02390	2.8
109.94131	2.0
111.48068	2.3
113.02335	26.3
125.02325	15.6
131.96419	2.1
152.99467	6.4
239.26480	2.5
239.57957	2.2
277.21722	100.0
278.21991	7.5
345.24554	2.5
373.23749	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	421.2594
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27661	1.0
57.03300	1.0
57.74164	0.9
59.01240	3.5
65.03803	1.7
67.94402	1.0
69.03291	1.2
69.74838	3.3
69.75253	2.6
77.45058	1.0
90.09425	0.9
97.06449	4.2
98.19961	1.5
106.22343	1.0
123.08038	3.1
125.09614	15.6
132.79030	1.0
138.17085	0.9
145.06071	1.1
163.11191	1.4
179.66183	1.2
185.11693	2.9
189.16396	3.0
199.34077	1.1
207.13831	1.8
209.11766	4.1
211.13338	9.7
213.14807	1.2
215.14372	4.2
233.15427	69.6
234.15790	6.9
235.13385	2.0
251.16542	4.3
331.26437	3.1
341.24762	1.5
375.25214	2.7
385.23813	7.8
391.24771	1.2
393.26538	2.5
403.24866	100.0
404.25162	14.5
421.25983	38.3
422.26224	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	421.2592
Annotation	Unknow
Peak:m/z	Relative Intensity
56.42951	1.8
57.03325	2.3
58.63437	1.5
59.01237	6.1
61.73524	1.7
62.08159	1.6
71.49008	3.2
78.95771	7.7
83.04882	6.2
85.06454	2.9
96.96841	2.6
97.06471	3.2
108.72808	1.7
111.00779	1.9
111.07986	3.3
123.08023	2.0
125.07790	1.5
125.09618	11.7
127.04992	5.4
129.09042	1.7
145.06056	4.3
153.92822	2.0
171.10150	20.4
205.15913	4.2
211.13348	5.6
215.14307	2.6
231.14026	2.5
233.15456	26.7
234.15633	2.3
249.14894	7.4
257.17493	2.3
341.24789	2.2
359.26096	1.9
375.25244	2.5
377.27078	2.5
385.23694	4.5
403.24905	54.1
404.25046	10.9
421.25980	100.0
422.26389	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	421.2594
Annotation	spinosyn macrolactone
Peak:m/z	Relative Intensity
54.61791	1.8
57.03313	2.9
59.01237	8.2
69.03318	5.0
69.61993	12.9
71.01232	2.7
71.04881	4.1
72.99162	3.0
75.00738	4.6
80.35584	1.8
81.03345	3.0
83.04894	5.5
90.37418	2.2
93.03328	2.9
95.04919	2.6
97.06444	9.3
98.19895	3.5
109.06473	4.5
121.02766	2.5
121.06491	3.6
123.04405	7.4
123.08020	6.0
125.09605	2.1
137.09645	3.6
149.05898	3.4
149.09625	3.1
163.11197	2.6
179.14331	2.3
185.11771	12.9
191.14282	4.6
195.13890	2.4
199.13341	2.5
207.13832	22.0
209.15308	2.1
213.14871	2.9
217.12280	2.2
219.13982	2.1
235.13361	77.7
236.13696	6.0
237.14996	4.3
249.15031	2.6
251.16602	5.1
253.14299	10.6
275.16486	2.0
277.18091	5.0
287.16708	2.4
305.17798	3.0
307.19302	1.9
323.23840	2.4
331.26559	3.5
341.24985	12.9
359.25848	10.7
360.25787	2.7
367.22769	10.0
375.25348	4.2
377.26828	2.5
385.23785	29.2
386.24020	4.7
393.26205	2.6
403.24847	100.0
404.25177	14.4
421.25934	92.6
422.26135	12.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60634	0.9
57.03326	1.1
59.01238	4.8
61.98708	1.2
68.99645	0.8
69.03306	1.2
69.79887	1.9
69.80295	3.8
71.01257	2.2
71.04905	1.6
73.02818	2.5
83.04901	4.3
85.02814	1.2
88.98683	8.7
89.02295	2.1
95.04909	7.0
96.77477	0.9
97.02840	5.6
97.06541	1.0
98.20522	2.1
109.02847	1.3
109.06480	3.3
110.03593	1.0
111.07996	1.2
121.02846	1.4
121.06474	1.9
123.00784	3.6
123.04369	2.8
123.08027	2.3
125.09631	1.6
127.00273	1.9
127.07513	1.5
128.95775	1.0
134.93590	1.0
137.02336	1.0
137.09613	2.5
139.11159	1.3
147.04385	1.5
151.07590	1.4
151.11162	1.2
165.12749	3.0
171.10245	5.0
172.10526	2.2
175.11139	1.4
177.09113	1.5
177.12743	8.7
178.13080	1.1
183.10339	1.1
183.13853	1.5
185.11800	1.1
193.08418	1.8
193.12312	1.6
203.10655	2.4
205.12262	2.3
207.13902	1.9
211.13338	8.5
221.11783	26.4
222.12071	3.1
223.13333	15.2
224.13716	1.3
233.11864	1.8
233.15410	3.3
237.14813	1.9
239.12852	26.8
240.13095	1.4
247.13611	1.1
249.14929	4.1
261.11185	1.2
275.20163	2.9
277.21707	58.4
278.22049	3.7
279.12399	3.0
287.20145	2.4
291.19879	1.6
293.21152	5.7
303.19696	1.0
305.21170	7.2
313.17966	5.3
321.20557	1.8
331.19131	51.8
332.19458	5.5
333.20673	1.1
347.18649	6.3
349.20181	100.0
350.20367	11.7
361.19977	1.2
385.19989	1.3
385.24435	1.7
403.25061	6.6
421.21857	17.5
421.27347	2.0
422.22150	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01745	2.9
57.03057	1.0
57.03320	17.4
59.01250	7.5
59.49187	0.8
67.01775	0.9
68.99671	1.0
71.01248	8.6
71.50936	1.3
72.99175	2.1
73.02796	1.8
75.00739	2.3
78.95770	0.7
83.01257	8.5
84.02032	2.7
85.02822	100.0
86.03160	1.9
87.00718	1.4
87.04417	1.1
96.95922	1.1
99.00758	1.0
101.02323	5.6
103.03836	0.8
111.00766	31.2
111.09599	0.8
112.01108	1.4
114.05490	2.0
129.01826	53.1
130.02211	1.8
143.04498	1.1
147.46065	0.9
149.99486	3.0
159.02809	0.8
161.04509	4.5
185.11795	0.7
187.02423	2.1
205.03467	32.5
206.03818	1.9
215.16475	9.2
216.16821	0.8
223.04538	5.3
256.59283	0.8
259.40228	0.9
263.12866	3.0
273.11572	0.7
313.05630	3.3
384.48416	0.8
421.20328	1.8
421.25064	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2082
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01753	2.9
57.03325	15.7
59.01251	9.3
66.94589	0.7
67.01746	0.9
68.99698	0.7
69.20123	1.2
69.20523	6.9
71.01257	9.0
71.23757	0.7
72.99190	1.2
73.02820	1.7
75.00764	1.8
77.65808	0.8
78.95766	0.8
83.01262	9.2
84.02033	1.9
85.02823	100.0
86.03169	2.6
87.00745	1.3
89.02303	1.1
96.95894	0.8
99.00766	1.0
101.02310	5.7
110.99992	1.6
111.00764	29.9
114.05572	1.0
120.99535	0.9
129.01828	52.4
129.42252	0.8
130.02145	1.2
149.99515	1.4
161.04439	3.5
187.02438	1.4
205.03476	34.4
215.16473	9.6
223.04526	5.6
263.12900	2.2
283.19351	0.8
313.05676	2.9
421.20447	3.6
421.24799	2.4
446.97015	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01745	2.9
57.03057	1.0
57.03320	17.4
59.01250	7.5
59.49187	0.8
67.01775	0.9
68.99671	1.0
71.01248	8.6
71.50936	1.3
72.99175	2.1
73.02796	1.8
75.00739	2.3
78.95770	0.7
83.01257	8.5
84.02032	2.7
85.02822	100.0
86.03160	1.9
87.00718	1.4
87.04417	1.1
96.95922	1.1
99.00758	1.0
101.02323	5.6
103.03836	0.8
111.00766	31.2
111.09599	0.8
112.01108	1.4
114.05490	2.0
129.01826	53.1
130.02211	1.8
143.04498	1.1
147.46065	0.9
149.99486	3.0
159.02809	0.8
161.04509	4.5
185.11795	0.7
187.02423	2.1
205.03467	32.5
206.03818	1.9
215.16475	9.2
216.16821	0.8
223.04538	5.3
256.59283	0.8
259.40228	0.9
263.12866	3.0
273.11572	0.7
313.05630	3.3
384.48416	0.8
421.20328	1.8
421.25064	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1629
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03308	8.1
59.01252	99.1
61.98712	8.6
70.37221	14.6
71.01251	51.4
73.02820	27.9
83.01257	10.9
85.02835	34.3
86.02242	6.8
87.00776	10.3
87.04407	12.5
89.02321	31.0
98.19958	8.9
99.00720	6.4
101.02325	31.7
101.19720	6.9
103.22556	6.1
111.00779	9.6
113.02368	11.1
119.03425	8.4
121.27522	7.4
128.03429	10.7
129.01849	13.4
137.09631	7.0
146.08096	14.6
187.09630	8.5
190.83472	7.1
197.11787	18.0
199.09723	30.7
199.13322	12.9
205.03511	9.7
217.12004	8.0
223.06189	7.3
241.10741	10.4
259.11850	13.8
277.12231	16.5
301.03571	14.9
361.15030	18.0
377.18066	72.0
403.16702	8.7
421.07709	12.7
421.16827	100.0
421.24643	15.8
443.83929	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	421.0776
Annotation	Isomangiferin
Peak:m/z	Relative Intensity
57.88160	1.0
59.01243	4.7
70.06529	4.5
70.06876	1.5
71.01246	1.8
73.65752	1.1
85.02829	1.9
92.91984	1.1
95.50274	1.1
98.20472	1.3
109.02844	3.0
113.06312	1.0
116.92747	2.4
119.38976	1.1
143.88731	1.4
145.48094	1.1
152.07919	1.0
163.00212	1.6
190.11429	1.1
215.03465	3.5
227.03526	2.6
228.04292	1.2
243.02945	4.4
245.04353	1.2
258.01700	23.6
259.02426	28.5
271.02475	27.9
271.15497	2.4
272.03210	25.9
273.04016	7.1
283.02472	1.6
285.03998	8.5
286.04343	1.4
297.04062	1.4
298.01248	4.3
299.01910	2.2
301.03519	100.0
302.03842	10.6
313.03415	6.3
315.04944	2.3
331.04575	65.4
332.04956	6.1
343.04541	2.3
373.05713	1.1
403.06683	10.8
404.06653	1.5
406.02441	1.1
407.43372	1.1
421.07724	56.6
421.20602	2.1
422.07910	6.6
422.22089	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.0025
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	3.6
67.01754	2.5
69.56697	2.7
69.57131	2.3
78.95773	3.7
85.02818	18.5
85.03300	1.3
85.49632	0.8
87.00748	34.5
96.95881	7.1
96.96824	1.7
98.20695	0.8
108.60706	0.8
111.00762	100.0
112.01099	2.7
123.14789	0.8
124.70215	0.7
129.01816	5.4
142.96541	5.2
160.97614	2.4
173.00815	4.4
176.98486	1.4
184.97580	1.8
191.01898	83.0
192.02220	2.3
193.23659	0.7
193.34924	0.7
201.00764	1.0
206.69650	0.7
212.96994	0.9
230.98248	3.0
254.98083	1.3
272.99350	1.4
316.98242	1.3
421.06982	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	420.2754
Annotation	6-Deacetylperegrine
Peak:m/z	Relative Intensity
55.79339	0.3
59.01262	0.5
59.83345	0.4
61.98688	0.6
69.86218	1.6
77.03877	0.3
79.93056	0.3
81.55308	0.4
84.32448	0.3
88.98682	0.6
121.02841	100.0
122.03172	3.9
135.26485	0.3
142.70296	0.3
223.01840	0.3
333.77264	0.3
420.27533	54.4
421.22208	0.6
421.27853	9.0
422.88956	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2437
Annotation	Unknow
Peak:m/z	Relative Intensity
54.74683	1.1
57.03311	1.7
59.01243	5.3
63.80948	1.3
65.03831	2.9
69.03316	1.2
69.53236	8.6
71.01281	1.2
80.48314	1.1
82.63147	1.2
85.17605	1.2
87.00728	1.7
93.03316	1.5
97.06482	1.9
106.04156	1.4
121.02845	11.1
123.08051	2.7
125.09631	10.6
132.05673	2.3
156.41710	1.1
161.13272	4.7
169.24969	1.1
171.10159	4.0
173.89943	1.2
185.11777	14.4
187.11273	1.8
187.14824	6.5
189.12860	1.5
205.12248	21.6
205.15912	1.5
206.12624	1.9
209.11809	2.3
213.12840	1.7
215.10617	1.3
221.15385	11.8
231.13887	8.3
232.14357	1.4
233.11775	13.4
247.13416	3.6
249.14919	18.7
287.16156	1.3
327.23306	3.1
339.23166	3.0
357.24365	2.5
365.20975	2.8
375.21680	7.3
375.72781	1.5
383.22305	8.4
396.98477	1.4
401.23337	53.6
401.28647	2.7
402.23575	7.4
419.24414	100.0
420.24759	10.8
420.28561	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	419.2437
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01241	4.9
69.20612	0.9
69.91927	4.5
87.00736	2.3
94.10587	1.1
95.04923	1.3
96.89094	1.3
96.95891	1.5
97.06478	2.2
98.20455	1.3
105.06840	1.4
121.02843	8.2
123.08067	2.6
125.09613	8.8
160.46391	1.1
171.10150	7.9
187.14851	1.5
231.13901	3.7
247.13379	10.6
249.14931	4.9
273.15051	2.8
275.12872	6.3
292.57651	1.2
311.23883	2.3
321.22272	3.3
329.24957	1.3
337.21408	1.6
339.23230	8.5
347.20197	3.5
355.22717	5.2
356.23291	1.5
357.24240	1.5
365.21341	3.8
383.22260	21.8
384.22571	2.4
391.24448	2.2
401.23312	57.3
402.23694	7.1
419.24414	100.0
420.23877	9.6
420.29034	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	419.2437
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03319	1.9
59.01254	8.3
61.98688	1.3
65.03837	5.3
68.91149	1.2
68.91501	1.2
69.55440	6.6
83.04886	3.9
91.05403	2.1
95.04944	1.3
97.06467	3.7
98.19807	1.8
105.06986	1.2
105.10488	1.4
108.90092	3.6
119.04929	1.4
124.13492	1.1
124.85831	1.2
125.09621	13.8
133.10103	1.7
163.88086	1.1
185.09702	1.4
185.11824	2.5
187.14822	15.5
188.15179	1.5
209.11726	2.3
211.13571	1.6
213.12904	2.5
221.15314	1.3
231.13858	29.7
232.14241	1.2
249.14963	13.5
269.31351	1.3
339.23297	2.9
355.22751	1.4
357.24210	1.4
373.24026	2.0
383.13196	1.5
383.22360	4.7
391.24823	4.1
401.23300	100.0
402.23672	13.7
419.24484	44.5
420.24911	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	419.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17202	5.5
51.42815	4.4
57.03323	10.8
59.01247	100.0
61.98700	8.7
65.17439	4.4
71.01246	38.9
71.50671	5.7
72.99184	11.0
73.02802	27.2
74.02337	6.6
75.00747	20.1
83.01275	5.8
83.04905	18.5
85.02815	13.2
87.00750	19.6
87.04405	6.0
89.02321	17.3
89.17111	5.0
93.03368	7.8
95.01205	4.9
97.06464	7.6
101.02316	20.1
106.04117	13.0
107.04924	27.9
108.02100	7.6
113.02330	8.3
115.03916	4.9
119.03349	6.0
120.99514	5.1
121.02863	8.1
125.02345	6.8
129.01865	7.8
134.03658	9.6
135.04491	4.8
137.02281	5.7
137.09605	4.4
149.02481	4.9
151.11198	8.9
155.06927	5.2
157.08646	5.6
161.04404	14.7
165.01871	10.3
169.03172	6.5
175.02382	9.0
178.02681	5.5
179.03304	6.1
179.05525	14.0
180.04207	4.9
181.05115	7.0
193.04990	15.8
195.06529	9.5
195.10179	9.4
201.11221	8.7
211.06186	5.9
213.09134	85.2
214.09473	11.0
239.09291	28.6
239.12674	5.1
257.08154	62.1
257.17529	39.5
319.51175	5.2
359.20840	5.2
419.14386	9.8
419.22595	25.5
420.22650	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	419.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01744	3.2
57.03317	7.2
58.00473	3.4
58.60538	2.0
59.01250	100.0
61.98695	7.4
70.22487	2.2
71.01254	42.9
71.50215	3.7
72.99179	16.4
73.02808	12.7
73.37965	1.9
75.00739	30.8
83.01267	3.2
85.02814	21.8
87.00786	11.7
88.34353	2.0
88.45971	2.2
89.02303	20.1
95.01233	4.4
97.06493	2.9
99.00791	3.7
99.04414	3.6
100.17907	2.1
101.02323	24.9
103.21133	2.1
105.01814	17.9
109.02853	2.7
111.00767	2.5
112.69346	2.1
113.02324	14.3
114.87433	2.1
117.01774	2.7
119.03395	8.3
123.08041	3.3
129.01820	10.4
135.02942	5.3
137.09653	2.8
147.02861	19.7
151.07533	2.6
155.10675	2.9
161.04482	9.2
165.09111	4.4
167.10695	2.1
179.05490	4.8
191.01929	4.9
199.09587	2.4
257.17477	2.6
359.16879	4.4
361.15067	6.1
419.10144	3.3
419.19089	19.8
420.19455	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	419.2207
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44567	35.1
59.01251	100.0
61.98713	57.1
71.49243	94.9
80.96394	56.2
85.27235	39.7
87.00787	62.2
102.86608	45.3
105.13232	36.1
156.73210	43.0
207.04147	36.4
212.10680	53.6
419.24408	54.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1558
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89191	1.4
53.10500	1.7
55.01760	2.0
57.03315	20.8
58.02848	4.2
59.01244	19.4
61.58224	1.7
70.84058	4.3
70.99493	2.3
71.01252	13.8
72.99195	8.2
73.02796	3.2
74.98977	7.7
75.00755	13.4
76.99516	1.5
78.95779	3.9
83.01253	6.1
83.04915	2.5
85.02815	34.0
86.39404	1.8
86.98985	1.8
87.00748	3.2
89.02325	5.6
93.03320	2.7
94.18605	1.7
97.02827	3.0
99.00764	5.8
100.96886	8.4
101.02335	7.4
102.98472	7.6
106.04115	4.1
107.04910	9.5
111.00744	11.2
112.98682	10.2
113.02334	3.1
114.98495	9.1
115.00237	2.0
119.03327	1.6
120.99566	1.6
128.96416	6.2
129.01823	100.0
129.10243	3.8
130.02180	2.7
135.02901	26.5
138.03207	1.9
142.99762	11.1
147.04407	4.3
152.07060	2.2
158.84094	1.6
161.04488	2.9
164.07091	9.4
168.11383	3.7
170.43346	1.5
173.00832	14.0
175.02351	2.9
186.12395	7.4
195.13849	2.2
205.03523	4.5
206.99652	13.9
208.02826	2.6
210.12431	5.1
211.07590	3.3
211.13347	2.9
213.09137	27.3
213.14752	1.6
214.09631	2.3
223.04643	1.7
233.16714	3.4
257.08142	6.9
257.17627	2.1
267.12488	2.1
272.23807	1.6
277.15259	2.1
290.18811	2.5
329.23309	2.2
367.14005	4.8
376.18744	22.5
385.15240	5.6
401.25208	2.4
419.13528	36.5
419.22089	7.8
419.30792	3.3
420.13632	4.9
420.21487	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	419.1347
Annotation	Cochinolide beta-glucopyranoside
Peak:m/z	Relative Intensity
55.01746	0.7
57.03326	0.8
58.46264	0.4
59.01247	9.7
59.67523	0.5
61.98711	3.6
65.03814	0.5
69.03336	0.6
71.01256	7.7
71.50990	0.8
72.99198	1.1
73.02811	4.2
75.00755	2.1
81.03305	0.7
83.01255	0.7
83.04880	2.8
85.02823	3.6
87.00757	1.6
87.04390	0.9
89.02313	2.1
93.03334	5.3
95.01299	1.1
95.04861	0.5
96.05717	0.5
97.06482	1.0
98.20278	0.5
99.00764	1.9
101.02319	4.5
106.04129	13.6
107.04912	33.5
108.02039	6.7
108.05230	1.4
109.02876	0.7
113.02335	3.6
115.03912	0.5
120.99531	0.7
121.02824	5.5
129.01855	0.5
130.08603	1.1
138.03116	2.3
150.05467	0.6
151.03877	1.0
151.11205	0.7
159.02910	0.6
161.04483	2.0
165.01915	0.7
166.02560	0.7
171.08032	0.8
171.10193	0.7
175.02362	1.0
178.02625	0.6
179.05513	1.1
180.04099	0.9
181.05061	0.8
193.04971	1.0
195.06537	0.7
195.10150	1.1
201.11171	0.8
213.09146	100.0
214.09496	9.0
239.09210	3.4
257.08160	74.6
257.17407	3.7
258.08453	6.1
279.12527	0.5
329.05704	0.7
401.25674	0.5
419.13550	5.5
419.22916	1.7
419.27432	0.6
420.13928	1.0
420.22504	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	419.1348
Annotation	Cochinolide beta-glucopyranoside
Peak:m/z	Relative Intensity
57.03314	0.4
59.01245	3.8
69.49523	0.5
69.49937	1.7
71.01253	4.0
73.02809	0.9
83.01250	0.5
83.04877	0.5
85.02838	1.7
89.02314	1.3
93.03329	2.8
93.52111	0.3
95.01243	0.6
95.04944	0.3
97.20655	0.3
99.00780	0.4
101.02335	1.9
103.16286	0.3
106.03391	0.4
106.04121	9.0
107.04910	19.9
108.02062	2.3
108.05219	0.9
109.02814	0.3
113.02333	1.2
114.16853	0.3
119.03399	0.6
119.04889	1.0
121.02831	3.0
129.01828	0.8
138.03142	0.5
138.42679	0.3
138.73016	0.2
150.03117	0.6
171.08051	0.6
182.02132	0.9
211.07571	8.3
212.07965	0.6
213.09143	60.0
214.09491	4.8
257.08188	8.0
258.08524	0.9
299.09409	0.4
341.28745	0.4
419.13446	100.0
420.13824	13.9
420.18668	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01235	3.2
59.46164	0.8
71.01247	0.8
71.07335	1.7
82.45993	0.7
93.03335	4.4
121.02856	13.5
122.03640	13.4
124.01585	0.8
133.02844	1.0
134.03532	0.8
135.04384	3.3
136.01512	1.9
137.02338	1.5
147.04416	1.3
149.02342	52.1
150.03125	91.2
151.03491	3.5
152.01042	7.3
163.03932	5.7
164.04689	23.8
165.01816	2.8
165.05473	100.0
166.05847	5.3
167.03404	1.1
169.04903	2.8
176.44337	0.7
177.05409	0.9
179.07050	5.7
180.04204	7.1
193.01340	20.1
194.01744	1.1
194.05661	1.3
195.06541	56.9
196.06876	2.9
208.03699	30.0
209.08064	1.3
223.06061	87.4
224.06404	5.8
237.05490	1.0
242.84300	0.8
371.11353	9.6
419.22925	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	419.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05737	1.5
55.12877	1.6
59.01238	8.1
59.76318	1.9
60.20853	2.0
62.48083	2.1
88.02383	2.0
91.08913	1.8
93.03336	5.5
95.01255	1.6
100.11772	1.8
110.99026	3.0
118.81464	1.9
121.02858	9.5
122.03636	9.2
133.02869	2.0
135.04395	3.8
148.03006	1.6
148.76099	1.9
149.02351	49.4
150.03131	90.2
151.03477	4.1
152.01031	8.7
163.03859	5.7
164.04700	21.2
165.01837	3.9
165.05475	89.8
166.05746	2.8
167.03368	3.1
169.04906	2.6
179.07016	4.8
180.04250	4.7
193.01308	19.6
195.06554	52.8
196.06863	3.2
200.69345	1.7
208.03703	36.0
209.03958	2.1
223.06059	100.0
224.06406	9.5
233.39503	1.8
294.15817	2.3
361.18677	2.2
389.16492	2.5
419.13956	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	418.0988
Annotation	Unknow
Peak:m/z	Relative Intensity
54.94366	1.0
59.00959	2.1
59.01248	34.7
61.98701	100.0
70.89950	3.2
71.01255	5.9
71.16367	1.2
73.02801	1.3
85.02805	3.5
87.72704	1.0
95.04898	1.3
99.00797	1.4
101.02345	3.8
113.02320	1.7
127.05009	1.4
128.03397	3.5
150.03137	1.8
161.04518	2.0
169.03198	2.7
188.59309	1.3
209.04578	2.2
227.26016	1.1
239.05591	2.0
241.10892	1.6
269.10272	3.3
281.09225	1.9
298.04584	2.3
299.05289	1.8
327.05060	3.3
328.05344	1.6
331.08542	2.4
357.06052	2.8
399.11816	1.1
418.08496	3.2
418.17419	1.5
419.10721	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	417.2857
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92914	2.8
59.01251	30.4
66.37706	2.3
70.02908	10.7
71.01259	25.3
72.99160	3.7
73.02824	4.6
75.00747	8.1
77.95773	2.7
85.02841	5.6
89.02308	8.6
95.01215	2.3
101.02306	8.0
113.02318	12.5
130.69664	2.7
137.24695	2.9
150.73991	2.3
211.04790	2.3
213.01808	2.3
247.26747	2.5
255.23276	100.0
255.25986	5.0
256.23654	11.2
267.23294	5.6
269.24841	62.8
269.27789	3.5
270.25183	6.9
279.23315	6.8
297.24356	10.5
309.24283	13.8
313.23871	7.3
327.25327	5.7
361.49063	2.4
379.87149	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2857
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03329	5.6
59.01260	47.7
71.01251	24.9
71.07948	10.4
72.49891	5.9
75.00731	7.7
89.02319	16.5
90.60984	5.3
97.51098	5.7
100.30955	6.5
113.02300	10.7
116.43163	6.8
133.51765	6.1
140.30373	6.1
163.13748	5.8
174.77299	6.0
255.23273	100.0
256.23590	10.1
267.91669	8.1
269.24841	42.4
279.23288	12.4
281.24469	7.4
297.24374	8.6
305.46356	6.3
309.03854	6.3
309.24310	11.1
382.20667	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	417.2642
Annotation	Hyrtiolide
Peak:m/z	Relative Intensity
52.84452	1.3
55.84175	1.5
59.01250	7.9
61.29173	1.2
61.98704	1.3
63.46529	1.4
63.65403	1.1
70.58184	1.2
71.01258	2.4
71.50916	2.5
77.60952	1.3
90.42456	1.2
92.05923	1.5
95.04913	1.3
106.04082	1.3
112.27390	1.3
116.88182	1.3
119.78021	1.3
121.02876	1.4
140.07101	1.8
201.10707	1.5
211.13405	3.8
213.14871	2.0
218.78508	1.3
239.16423	1.8
253.18219	2.6
277.21747	7.6
327.26749	1.7
337.25482	3.1
345.27744	1.8
355.26343	7.7
356.26620	2.4
371.25592	1.9
373.27466	2.8
381.24384	5.4
399.25424	15.6
400.25757	1.9
417.26437	100.0
418.26703	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	417.2857
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	31.9
63.42501	8.6
69.95863	35.1
71.01267	26.3
75.00773	8.0
78.95789	21.3
96.28645	8.2
98.20469	12.4
99.92588	9.5
101.02304	9.6
113.02319	9.5
114.82959	8.1
122.78274	8.3
222.44171	8.0
255.23260	100.0
297.24316	8.8
384.35538	9.4
388.41000	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	417.2604
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	2.2
61.98701	100.0
71.50014	1.4
79.01031	0.7
150.85414	0.8
291.93997	0.9
294.50107	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2279
Annotation	CHEBI:69182
Peak:m/z	Relative Intensity
56.08180	0.6
57.03331	0.7
59.01250	9.6
61.98701	0.5
69.86319	1.3
69.86710	1.1
71.01242	1.0
73.12331	0.5
81.45734	0.6
81.74466	0.6
89.36356	0.6
97.06477	2.0
101.18704	0.6
119.04926	3.9
123.08067	1.5
125.09617	10.0
134.60190	0.5
171.04445	0.7
199.03871	1.7
201.12801	1.5
217.15971	1.6
229.12279	2.4
247.13339	2.2
253.12347	0.6
261.15024	0.8
266.13251	0.7
283.13477	0.6
289.14578	0.8
301.14233	0.7
327.23300	3.6
335.20267	1.4
337.21689	1.6
345.24521	0.6
353.21173	1.4
355.22778	5.4
363.19669	8.1
364.19974	0.8
371.22195	1.4
373.24091	0.8
381.20721	11.3
382.20969	1.5
399.21735	16.4
400.22070	2.1
417.22803	100.0
418.23145	13.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	100.0
60.01559	1.9
61.98688	1.7
70.45771	6.6
71.01244	2.0
73.70484	1.9
97.52808	1.8
102.18318	1.6
119.04875	3.6
121.02814	9.8
163.03893	4.9
190.56000	1.7
191.06978	1.7
253.07837	1.7
373.05505	3.2
403.45206	2.0
417.08157	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	417.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
55.29256	0.5
55.31860	0.6
59.01248	100.0
60.01580	1.3
70.04852	0.5
70.83762	1.3
90.07622	0.7
125.15893	0.5
145.91002	0.6
159.19922	0.5
239.15587	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10838	1.1
55.01726	1.1
57.03313	2.5
58.00470	1.6
59.01251	80.5
60.01574	1.5
61.98698	1.1
65.88723	1.0
67.26611	1.1
67.27553	1.0
69.03316	1.2
71.01251	51.3
71.50011	1.4
72.01600	1.9
72.99179	9.2
73.02814	30.0
75.00748	3.1
80.42492	1.2
81.03316	1.1
83.01252	9.8
85.02831	12.3
87.00755	4.9
89.02323	17.2
89.02843	1.6
95.01260	2.3
96.95900	1.1
99.00749	2.6
101.02316	30.3
109.02827	3.0
113.02325	11.3
119.03409	4.1
125.02331	2.2
125.09664	2.0
128.87056	1.1
133.02843	2.5
137.78525	1.1
142.99835	1.3
143.03375	1.3
152.01036	3.2
161.04482	3.1
171.10194	4.3
183.13750	1.9
193.12230	1.2
194.48610	1.2
195.13838	18.9
196.14131	2.8
209.11673	1.2
211.13274	2.1
213.14909	8.5
255.06581	4.1
262.10526	1.1
311.05508	3.8
312.05859	4.5
313.06168	14.0
327.04785	1.7
327.21716	6.0
337.23840	3.4
353.23370	2.3
357.19141	17.4
369.05630	1.1
375.20221	36.4
376.20490	3.2
399.23889	22.4
400.24368	1.7
417.10309	3.4
417.20755	100.0
418.21243	16.6
418.26437	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	417.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	0.9
57.03317	1.1
58.00466	1.1
58.71787	0.6
59.01249	100.0
59.51610	0.6
60.01590	1.1
60.70808	0.6
69.48815	4.8
71.01252	20.5
72.99166	1.0
73.02818	3.9
75.00766	0.9
83.01279	1.9
85.02818	7.3
87.00773	1.7
89.02312	20.7
89.02837	1.3
95.01289	1.4
98.20586	0.7
99.00761	1.9
101.02321	15.7
107.57712	0.7
113.02328	10.8
114.02645	0.7
119.03381	10.5
123.02714	1.3
131.03360	1.0
135.87291	0.6
143.03403	3.4
143.17938	0.6
149.04463	1.2
152.01135	0.8
159.02940	1.4
161.04459	19.3
163.05064	0.7
164.98241	0.6
167.01662	1.8
177.09152	5.8
179.05508	7.0
195.06525	0.7
195.10280	0.9
271.10910	1.1
316.21405	0.6
357.15512	26.3
358.16010	2.2
417.10312	0.9
417.17526	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	417.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20063	1.3
55.01761	7.0
57.03323	12.9
58.00474	2.5
59.01248	54.0
61.98726	1.4
64.07769	1.2
69.59678	4.0
69.60105	5.2
71.01251	80.0
72.01585	1.3
72.99165	4.9
73.02817	17.1
74.99413	1.3
75.00756	7.4
76.85120	1.3
83.01260	15.9
84.02038	2.2
85.02819	100.0
86.03181	1.8
87.00751	5.2
87.04396	1.6
89.02311	34.3
94.46036	1.4
95.01246	6.0
97.02861	1.5
98.19790	1.8
99.00757	8.8
101.02316	60.0
111.00754	24.9
111.71497	1.4
112.58889	1.3
113.01544	1.5
113.02331	28.3
119.03381	10.8
125.02335	3.1
129.01820	23.0
131.03354	1.6
143.03348	4.5
147.02876	2.2
149.13255	2.9
159.02863	7.5
161.04446	32.5
173.69429	1.7
179.05455	4.6
187.02371	2.7
205.03477	29.9
223.04536	62.0
224.04822	2.8
252.93613	1.4
343.23862	1.9
417.24915	29.0
418.25208	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	417.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01747	3.0
57.03313	2.4
59.01247	100.0
69.03309	2.2
69.15187	4.7
69.15610	12.4
71.01251	70.3
72.99174	2.7
73.02816	17.9
75.00742	4.3
77.29885	1.6
80.96429	2.3
81.03313	1.8
83.01258	7.7
83.04902	2.0
85.02820	28.5
87.00729	4.7
88.50056	1.7
89.02299	5.7
92.67995	1.7
95.01265	4.5
97.02842	2.1
98.19850	3.5
99.00758	13.1
101.02322	36.2
101.97195	1.5
111.08008	2.8
113.02324	25.5
125.02256	2.1
128.03423	3.3
139.07549	45.3
140.07901	2.2
140.21867	1.7
143.03392	5.4
143.04465	2.9
152.01035	3.4
159.02892	9.4
161.04454	84.7
162.04849	2.8
193.08521	2.2
195.10168	7.7
203.36121	1.8
205.03528	3.7
299.11276	3.5
306.07736	1.9
357.15582	22.2
358.15894	2.5
405.49261	1.9
417.10056	2.8
417.17706	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66977	1.5
55.01768	2.6
57.03307	3.2
59.01248	100.0
60.01542	1.5
61.03689	1.4
69.35202	12.0
69.48762	1.3
71.01252	47.1
72.99176	2.3
73.02817	13.9
83.01255	6.7
85.02821	21.6
85.03309	2.2
87.00741	1.9
89.02307	4.2
95.01266	3.9
97.02830	2.0
99.00754	6.9
101.02320	32.2
108.02068	2.3
111.74748	1.3
113.02336	21.4
120.99658	1.4
143.03387	3.0
152.01041	3.6
159.02882	5.4
161.04459	53.2
165.09105	16.2
167.01619	1.7
205.03500	3.1
244.17595	1.5
255.12314	1.8
260.06708	1.5
327.05063	3.4
357.15509	32.6
358.15747	3.2
417.08664	3.1
417.17438	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	417.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	7.0
59.01254	49.6
59.37489	5.9
61.98706	8.3
70.78712	22.2
71.01234	21.7
72.99171	18.5
75.00748	15.1
83.01255	8.1
89.02310	8.0
93.23644	5.8
93.83944	6.3
99.00734	19.2
112.42731	6.8
112.98684	21.1
115.00237	16.3
129.16319	6.4
134.05933	8.0
142.99751	50.1
152.01027	8.3
161.58929	8.5
173.00816	28.8
174.01601	100.0
175.02299	10.9
193.12303	12.8
211.13315	39.7
212.44373	6.5
216.59679	6.8
221.11743	16.3
223.13330	17.1
263.12897	11.9
265.10889	11.9
266.34918	6.6
267.12299	20.0
307.11816	25.2
325.12787	11.7
349.12668	11.1
367.13925	99.1
368.14151	14.2
385.14740	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	417.1404
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09305	0.8
53.82782	0.8
59.01251	100.0
64.05465	0.9
66.42940	0.8
66.76540	0.7
70.66431	1.1
70.66762	1.4
71.01259	1.0
75.00754	1.4
77.28490	0.8
89.02306	1.1
99.92460	1.5
115.91932	0.9
116.92751	0.9
123.00777	5.1
138.03128	10.2
151.53911	0.9
153.05492	7.6
183.25749	0.8
250.41861	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16290	3.1
52.60846	3.3
57.03318	9.5
59.01248	85.3
61.98698	3.6
65.77010	3.2
66.90794	3.2
69.66634	10.2
69.67036	7.7
71.01254	24.6
72.99177	7.2
73.02828	17.9
75.00744	9.5
83.01231	4.8
83.04885	5.4
85.02830	12.0
87.00754	8.7
89.02325	8.4
97.06492	4.8
98.19906	6.5
99.00806	5.0
101.02341	12.1
105.83736	4.0
111.00732	4.9
112.98684	5.0
113.02325	6.7
113.78217	3.3
115.00253	6.9
117.01804	3.4
119.04890	5.2
121.02852	37.4
125.02324	3.6
125.90350	3.2
142.99768	9.3
152.01045	7.4
161.04472	9.5
163.03902	4.9
165.12723	17.3
173.00839	7.6
174.01620	19.2
175.02319	4.7
179.05554	8.0
191.10707	8.7
193.12257	4.9
193.15921	36.4
195.13757	4.2
209.04488	7.6
209.11784	37.4
211.13373	6.8
211.16971	100.0
212.17310	9.0
221.11642	5.3
223.13356	6.9
237.14943	8.9
255.15981	74.8
256.16324	6.2
267.12335	13.3
270.83282	3.2
285.07559	5.1
285.13260	4.1
297.12469	4.3
327.05231	6.3
329.02734	4.9
329.06506	5.5
337.25299	4.9
357.06079	6.6
367.13852	20.4
371.15179	3.4
395.12366	3.6
417.07883	27.6
417.20901	46.4
418.21384	5.4
424.04538	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	417.1036
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84697	0.4
59.01242	1.9
69.67091	1.7
71.01256	2.8
75.00729	1.5
81.83205	0.4
85.02824	2.3
89.02316	1.3
95.01257	1.5
101.48167	0.4
108.02052	47.3
109.02843	20.4
110.03133	0.8
113.02401	0.4
121.02823	0.7
123.00777	1.7
123.04411	0.7
151.03923	2.3
152.01051	95.2
153.01566	4.4
163.03902	1.9
174.86484	0.4
179.03400	0.6
241.07137	3.1
251.55084	0.4
267.05167	0.7
285.06168	0.8
402.04175	0.5
417.10361	100.0
418.05142	0.8
418.10709	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	417.1037
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76641	0.2
57.03580	0.2
59.01261	1.0
61.74203	0.2
67.27953	0.2
71.01250	2.1
71.18211	0.3
71.18550	0.3
73.02824	1.1
80.02555	0.2
84.55326	0.2
85.02811	1.8
89.02316	0.9
95.01242	1.7
98.25764	0.2
99.00764	0.5
101.02347	0.3
108.02046	45.6
109.02850	19.6
109.03622	0.5
110.03178	0.6
112.95692	0.2
113.02322	0.3
121.02868	0.2
123.00761	1.6
123.04439	0.5
131.03346	0.2
133.02853	0.3
135.04373	0.5
151.03897	2.2
152.01048	100.0
153.01515	4.4
154.02150	0.3
154.30836	0.2
163.03914	2.4
179.03389	0.6
207.02843	0.4
209.28807	0.2
223.06070	0.2
224.72678	0.2
241.07104	3.1
267.05087	0.5
275.89011	0.2
280.42453	0.2
285.06183	0.9
417.10349	69.7
418.10709	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	417.1039
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61261	0.1
54.36012	0.1
56.27548	0.1
57.36605	0.1
59.01254	1.7
68.99686	0.2
69.03336	0.3
71.01252	3.2
73.02822	0.8
75.00755	0.4
79.01772	0.2
81.03345	0.4
83.01267	0.2
85.02831	1.8
89.02321	1.0
95.01263	1.1
96.95883	2.7
99.00764	0.4
101.02337	0.4
108.02055	60.1
109.02857	23.3
110.03187	0.9
113.02332	0.4
119.03411	0.2
119.04934	0.3
121.02828	0.5
123.00776	1.7
123.04408	0.5
125.02305	0.2
131.03433	0.2
133.02866	0.5
134.03633	0.3
135.04430	0.7
145.02762	0.2
151.00252	0.2
151.03915	1.9
152.01064	100.0
153.01613	4.9
154.02164	0.1
163.03934	1.9
165.04082	0.5
177.01891	0.3
179.03406	0.4
207.02950	0.3
223.06062	0.4
225.37155	0.1
241.07144	2.8
242.07640	0.2
267.05133	0.5
285.06119	1.0
317.84421	0.2
341.10989	0.2
343.07074	2.2
344.07327	0.3
417.10376	96.5
418.10730	11.9
418.16559	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1036
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	1.5
67.27566	0.7
70.78660	0.6
70.79011	1.9
71.01252	2.1
85.02825	1.5
89.02320	0.9
95.01200	0.8
107.30592	0.6
108.02054	29.9
109.02855	17.6
111.77645	0.6
123.00790	1.5
151.03943	1.1
152.01053	78.6
153.01770	5.5
163.03920	2.1
164.84631	0.7
179.03383	0.7
188.54535	0.6
241.07237	0.9
253.81906	0.8
267.05072	0.8
306.34079	0.6
417.10364	100.0
418.10669	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	417.0826
Annotation	8-C-alpha-L-Arabinosylluteolin
Peak:m/z	Relative Intensity
59.01248	9.9
59.32788	0.8
65.00179	1.3
68.99685	0.8
69.03321	1.4
69.24589	0.7
71.01245	3.7
72.99191	1.4
73.02818	3.2
73.44219	0.8
75.00729	2.0
77.03824	1.2
79.01759	0.9
81.03324	1.1
83.01261	1.5
85.02820	2.2
87.00742	2.7
89.02299	2.8
93.03306	1.1
95.01231	2.0
95.04901	0.9
97.02822	1.8
99.04398	1.2
101.02320	2.0
107.01287	1.2
108.02055	1.5
109.02848	4.6
113.02367	1.9
116.14799	0.8
119.03443	1.0
119.04890	1.3
121.02816	1.7
123.04373	1.5
125.02339	2.9
127.03880	0.8
133.02844	29.9
133.03845	1.8
134.03584	1.7
135.00679	0.9
135.04419	2.4
137.02339	1.2
146.18939	0.8
147.04401	1.3
149.02357	2.7
149.09615	2.4
151.00296	2.1
151.03972	1.3
152.01053	1.5
153.01768	1.0
161.02353	5.3
161.04506	2.4
163.00255	6.3
163.03918	3.4
165.01833	2.6
175.03929	7.2
177.01851	3.0
179.03210	0.8
179.05534	4.6
191.03445	2.4
193.01395	1.7
193.08630	1.2
195.02913	0.9
199.03893	2.9
201.01868	2.7
203.03368	2.2
204.06627	1.4
211.03952	2.3
213.05466	1.2
225.05527	3.5
227.03413	2.8
229.01323	1.1
229.05016	0.9
229.56342	0.9
232.75705	0.8
240.04216	1.1
241.05020	2.9
243.02853	0.9
251.03383	0.9
253.05045	2.8
253.13353	1.3
255.02916	2.2
255.06482	1.0
257.04608	1.1
269.04514	3.5
270.05124	1.1
284.03284	13.5
285.04025	29.4
286.04498	2.6
297.04037	51.1
297.12405	7.7
298.04773	40.2
299.05533	24.9
300.05951	2.3
309.03989	2.3
311.05597	11.2
312.06070	1.3
324.02774	3.7
325.03473	2.5
325.07236	0.8
327.05072	100.0
328.05429	9.4
339.05023	14.3
340.05334	1.6
341.06589	3.6
341.11313	3.2
349.36792	0.9
353.06543	1.0
357.06131	87.6
358.06442	11.1
363.05133	2.2
369.06161	1.9
373.14136	2.6
381.06110	3.3
387.07178	1.1
399.07193	13.2
400.07642	1.5
417.08240	81.0
417.17355	2.0
418.08569	12.1
430.95959	0.9
437.41235	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.1021
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86484	0.8
56.07864	0.8
56.60601	0.7
58.01133	0.8
58.02342	0.9
59.01247	7.5
60.45799	0.9
67.59406	0.8
69.71822	4.1
71.01259	5.4
73.02819	2.9
74.02359	1.8
78.95784	2.8
83.01234	1.5
85.02854	2.0
87.00758	0.8
87.55814	0.8
89.02339	1.4
98.20146	2.5
101.02331	3.2
107.04897	2.4
113.02274	1.3
119.03397	0.9
119.49355	0.9
120.01141	4.1
121.02901	1.4
124.01572	1.8
135.04320	1.5
141.18599	0.9
145.02850	1.7
151.03833	1.3
161.02286	1.4
161.04469	1.1
162.03098	1.1
162.14864	1.1
176.07080	100.0
177.05791	0.8
177.07431	6.0
178.02589	1.0
179.03053	1.3
193.05008	1.4
208.04141	0.9
219.35910	0.9
244.25311	0.9
334.76398	0.9
338.12411	32.4
339.12717	2.6
382.11423	3.2
416.10272	12.7
417.10391	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	417.0826
Annotation	Unknow
Peak:m/z	Relative Intensity
56.67190	0.4
59.01254	4.1
61.98719	2.4
65.00193	0.8
69.87712	1.0
69.88115	1.6
71.01276	1.0
73.02824	1.1
77.03836	1.1
79.01771	1.1
83.01268	1.2
83.04874	0.6
85.02837	0.6
87.38669	0.4
97.02841	1.1
101.02330	0.9
105.03371	0.5
107.01266	1.3
109.02846	3.7
117.03338	1.0
119.04920	0.9
121.02884	3.1
123.00733	0.9
125.02346	2.1
128.03401	0.9
133.02852	30.4
134.03716	2.9
135.00761	1.4
135.04393	1.9
137.02330	1.5
145.02867	0.7
147.04422	1.4
149.02333	2.8
151.00247	2.2
151.03894	1.2
159.04303	0.5
161.02338	5.6
161.04457	0.6
163.00288	7.8
163.03922	3.3
164.00914	0.5
165.01881	3.0
171.04425	0.5
173.02361	0.8
175.03947	6.9
177.01846	2.2
179.03439	0.8
185.06140	0.4
187.03946	0.7
189.01839	0.7
189.99045	0.6
191.03465	1.4
193.01331	1.7
197.06033	0.9
198.03238	0.7
199.03987	3.3
201.02019	2.8
201.05577	0.6
203.03404	1.8
211.03947	1.3
211.07594	0.5
212.04643	1.3
213.05533	1.5
214.06178	0.6
215.03281	0.7
217.05092	1.0
224.04721	0.6
225.05551	3.0
227.03395	2.6
229.01367	1.0
229.05038	1.3
239.07010	0.7
240.04190	1.5
241.04999	2.9
242.05693	0.8
243.02940	1.1
251.03499	0.8
252.04164	0.6
253.05045	3.9
254.05591	0.6
255.03006	2.9
255.06555	2.0
256.03619	1.6
257.04468	0.6
267.06653	1.2
269.04434	4.8
270.05255	1.7
271.05881	0.7
281.04602	0.7
283.06027	0.5
284.03281	14.2
285.04047	26.1
286.04254	2.4
297.04053	46.9
298.04773	37.1
299.05542	23.6
300.05936	2.0
309.04102	1.9
311.05618	11.4
312.05942	1.3
324.02768	3.5
325.03714	2.2
326.04172	0.9
327.05087	86.2
328.05450	10.8
330.04132	0.6
337.07510	0.7
339.05072	11.4
340.05554	1.5
341.06595	2.1
351.04974	0.6
353.06689	1.3
357.06155	88.5
358.06458	9.9
363.05170	1.7
364.09460	0.5
369.05978	1.7
381.06110	3.3
399.07217	22.9
400.07596	2.8
417.08261	100.0
418.08588	13.2
418.14813	0.6
418.16760	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.3062
Annotation	Unknow
Peak:m/z	Relative Intensity
55.47055	5.5
57.88671	5.0
58.45451	4.8
59.01249	100.0
70.43079	12.0
70.43468	10.2
72.85959	4.7
138.39751	4.8
222.58035	4.9
254.60126	5.6
310.06519	5.0
387.06549	5.1
415.24423	6.6
426.88525	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	415.3064
Annotation	Unknow
Peak:m/z	Relative Intensity
58.77032	3.8
59.01247	100.0
70.83832	10.4
92.38905	3.7
94.70248	3.4
153.71222	3.4
229.73975	4.2
389.04202	4.3
401.49170	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	415.2489
Annotation	Unknow
Peak:m/z	Relative Intensity
58.22965	0.5
59.01243	1.5
59.81322	0.4
71.04895	1.0
75.54498	0.5
85.31202	0.4
97.02828	3.9
97.06490	0.7
98.20601	0.8
105.80418	0.4
107.04890	0.6
121.06519	0.5
123.04361	1.5
149.02361	0.5
151.03894	10.9
152.04388	0.5
163.07491	0.8
165.05428	1.1
166.02629	0.6
177.01830	1.2
177.09091	0.6
179.03380	1.4
179.07016	1.9
180.04155	2.2
189.05452	1.5
193.04968	2.1
194.05737	2.9
195.06494	0.9
203.07037	0.5
207.06554	94.8
208.07285	27.3
209.07678	1.6
219.06557	4.1
221.08116	5.8
221.15382	0.8
233.08038	1.1
257.94888	0.5
275.12921	0.7
345.17007	0.6
346.17941	2.8
371.25867	0.8
415.24854	100.0
416.25183	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	415.27
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	100.0
61.98693	3.5
63.82047	1.9
68.99664	2.4
71.51239	2.8
96.95917	9.2
107.03171	2.0
113.02310	1.6
160.23650	2.1
161.02330	3.3
163.11096	2.6
169.12277	2.6
173.02333	3.6
187.03900	9.9
189.01895	5.8
199.03871	5.2
201.05499	3.9
212.24811	2.0
213.05411	5.6
215.03485	3.4
216.07809	4.3
225.05443	1.7
227.07065	7.3
228.07771	1.8
241.08754	2.1
242.09428	2.6
246.08908	3.9
253.08994	2.4
291.43655	2.1
296.22925	2.2
343.22891	2.2
353.21164	4.8
371.22165	7.6
385.20178	34.3
386.20450	4.8
397.20166	29.9
398.20615	5.8
415.21167	38.2
415.26300	2.5
416.21591	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	415.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
54.45375	0.2
55.01751	0.4
57.03321	0.6
59.01249	100.0
60.01581	1.3
71.01254	4.6
71.30312	0.4
72.99155	0.3
73.02837	1.3
83.01266	0.7
85.02813	3.1
87.00752	0.3
89.02311	1.3
95.01275	0.5
96.95911	0.8
97.02806	0.2
99.00763	0.6
101.02317	3.0
104.02955	0.2
111.00768	0.5
112.78750	0.2
113.02347	1.7
115.00243	0.3
119.03427	0.8
121.02821	0.3
123.07971	0.2
125.02341	0.3
129.01852	0.5
129.91820	0.2
143.03447	0.3
159.03001	0.4
161.04486	1.4
175.02458	0.5
176.07085	4.8
176.42136	0.2
191.14415	0.3
205.03534	0.5
214.85907	0.2
223.04628	0.9
228.66893	0.2
235.13429	0.6
253.14627	0.3
265.05090	0.4
267.06512	1.5
295.06097	1.9
311.05240	0.4
325.07132	0.4
331.37518	0.3
338.12476	1.5
353.23438	0.2
355.17487	0.5
359.78281	0.2
369.06296	0.2
373.18491	0.4
373.22495	1.5
415.11209	1.6
415.19373	1.2
415.24243	0.5
416.10291	1.2
416.19760	0.3
423.40936	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2336
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23835	0.1
55.01757	0.1
57.03317	0.2
58.00464	0.1
59.01249	100.0
59.93689	0.1
60.01584	1.4
70.46380	0.2
71.01247	2.6
71.05692	0.3
73.02813	0.6
75.00754	0.2
77.03859	0.3
79.01772	0.4
83.01269	0.4
85.02810	1.4
87.00757	0.4
89.02302	0.8
93.03321	0.2
95.01296	0.3
99.00803	0.2
101.02318	1.4
109.02856	0.4
111.00755	0.2
111.04356	0.2
113.02329	1.0
114.09122	0.1
119.03429	0.4
121.02842	0.3
133.02861	0.2
137.02386	0.3
143.03418	0.2
143.04910	0.3
145.02888	0.2
161.04434	0.9
167.03450	0.3
171.10219	0.2
175.02455	0.2
176.07042	0.9
181.06509	0.3
211.17023	0.2
223.07693	0.4
223.13391	0.2
235.07825	0.2
235.13315	0.2
237.05621	0.3
253.05093	0.5
253.14375	0.2
265.05133	0.5
267.06619	5.2
268.07178	0.5
277.05035	0.2
279.06744	0.6
295.06107	9.4
296.06525	1.0
298.04919	0.3
307.06082	0.8
311.05875	0.2
314.28543	0.2
325.07166	2.2
326.07666	0.3
327.14557	0.2
337.03787	0.3
338.12534	0.4
373.22516	0.5
397.05493	0.2
415.10684	6.0
415.16245	1.0
416.10797	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2313
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24510	0.9
56.07679	0.8
59.01252	3.9
69.31039	5.3
69.31451	1.6
74.98973	6.8
77.00533	77.5
120.87741	0.8
147.08055	2.1
149.09621	1.0
163.11217	2.2
165.87259	0.8
178.46455	0.8
187.11177	1.8
195.66951	0.7
241.57826	0.9
267.06577	5.7
279.13934	1.3
279.23465	0.9
280.14664	1.3
295.06100	8.2
296.06491	1.7
307.06064	1.6
309.22354	2.0
311.99225	0.9
321.18518	1.1
325.07141	2.6
337.21701	100.0
338.22037	16.0
415.10422	6.4
415.23029	13.1
416.23456	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	100.0
60.01585	1.0
70.08257	1.7
71.01272	0.7
85.02822	0.5
89.02332	0.5
98.20467	0.5
113.02353	0.5
150.80464	0.3
151.03954	0.4
151.72444	0.4
289.71143	0.3
336.46552	0.4
362.86340	0.3
394.32806	0.4
415.23792	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	100.0
60.01577	1.0
66.39126	0.5
71.01270	0.5
71.49362	0.6
72.99207	0.6
85.02820	0.6
101.02388	0.5
254.45839	0.5
295.06165	0.6
338.52472	0.5
394.10623	0.5
415.10187	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1611
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06592	0.7
55.01757	5.2
57.03316	4.0
58.00467	1.7
59.01248	37.7
69.03326	2.4
69.79418	3.9
71.01253	73.2
72.01586	1.1
72.99175	2.7
73.02816	29.4
81.03349	2.0
83.01257	23.0
85.02822	33.5
85.20923	1.0
86.24689	0.8
87.00763	3.6
89.02325	7.8
95.01256	4.9
97.02837	3.4
98.19813	1.6
99.00756	8.4
101.02321	70.2
102.02666	2.4
103.03871	5.0
113.02329	25.7
113.03049	0.6
119.03386	2.7
125.02341	5.5
129.01819	1.5
131.03363	1.0
136.38380	0.9
143.03397	4.3
145.05025	1.0
159.02919	7.3
161.04465	53.0
162.04816	2.9
163.06015	3.0
164.07071	1.3
176.07071	6.3
187.06053	1.1
205.03551	2.1
206.08217	1.5
229.07195	1.1
237.91687	1.1
247.08234	3.0
269.10300	100.0
270.10568	7.2
270.12952	0.8
310.62558	0.8
338.12466	2.4
382.11304	1.3
404.30206	0.9
415.16104	28.5
416.11206	1.1
416.16022	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	415.1609
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01748	0.6
57.03305	0.6
59.00970	0.7
59.01249	11.0
63.64447	0.5
65.00201	0.9
69.03326	1.2
70.98808	1.0
71.00906	0.7
71.01250	9.2
72.99168	1.1
73.02799	1.8
75.00743	0.8
77.03829	3.7
79.01757	2.2
81.03309	1.0
83.01243	1.5
83.04871	1.4
85.02820	3.8
87.00742	6.7
89.02306	1.6
89.03832	0.5
93.03328	2.9
95.01257	1.2
97.02808	1.6
99.00732	1.5
101.02321	2.4
105.03284	1.0
108.14473	0.5
109.02820	1.2
111.00743	0.9
111.04366	1.4
113.02308	1.9
115.00252	21.7
117.02575	0.8
117.03343	10.1
119.03452	0.6
119.04879	1.1
121.02821	3.2
123.04441	0.6
125.02318	2.7
131.01286	0.5
133.02806	1.1
135.04375	1.8
137.02339	1.1
137.05927	0.7
139.00235	2.0
149.02292	1.1
151.04002	0.5
157.01300	2.1
159.04448	2.6
161.02357	5.6
161.04449	1.1
163.00278	1.9
163.03915	3.0
165.01851	3.2
171.10168	4.3
173.06073	0.6
175.02397	29.2
175.03944	1.4
176.02748	1.2
182.03703	0.7
183.04437	2.6
183.08035	1.4
185.11690	1.0
192.16609	0.5
195.04468	0.6
196.05196	1.0
197.05956	1.6
201.11206	2.0
207.13875	1.2
209.06046	0.8
209.11726	4.8
210.06792	0.9
211.07634	1.2
223.13284	0.8
224.04758	1.3
224.38637	0.6
225.05469	0.8
227.12694	0.6
233.11908	0.6
235.13278	1.1
237.05560	1.0
239.07088	2.7
247.13467	0.6
253.04979	2.0
254.05803	1.2
265.05121	0.6
265.14639	0.7
267.06625	1.2
268.03607	0.6
269.04556	6.1
269.14078	0.6
279.06516	0.6
279.12350	2.1
281.04523	11.0
282.05112	4.2
283.06091	74.2
284.06461	6.9
289.14371	1.0
291.90878	0.5
293.04581	2.6
293.14093	1.2
295.06079	8.9
296.06506	0.7
297.03973	1.1
297.13394	3.0
299.05478	1.0
308.03305	1.1
309.03918	1.2
311.05594	100.0
312.05951	11.8
314.04227	3.0
315.14444	7.0
316.14767	0.9
323.05594	12.6
324.05960	1.9
327.05026	3.2
335.14923	1.1
339.04907	0.9
341.06647	28.6
342.06958	2.5
353.06662	2.5
354.06915	0.7
355.09592	0.5
355.13885	2.5
371.07858	1.0
397.09317	3.2
398.09464	0.8
415.10321	51.9
416.10669	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	415.1246
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16396	0.5
59.01250	100.0
59.89460	0.4
60.01582	1.1
66.91570	0.5
69.67991	1.3
69.68398	1.5
71.01226	0.6
72.99192	0.4
91.01771	0.7
93.03348	0.7
98.20458	0.7
101.02359	0.7
121.02855	1.7
137.02368	1.4
151.03914	20.8
152.04314	1.2
153.01852	0.5
243.40308	0.5
283.06284	1.0
311.05695	1.5
314.28699	0.5
341.06662	0.7
415.06140	0.8
415.10645	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	415.1033
Annotation	Unknow
Peak:m/z	Relative Intensity
56.16348	0.8
56.60477	0.7
57.03303	0.9
59.01249	6.6
61.36587	0.7
65.00182	0.9
69.21685	3.7
69.22102	4.2
71.01259	3.8
72.99170	1.1
73.02802	1.2
77.03835	2.2
79.01782	1.3
82.05959	0.7
83.01295	0.9
85.02805	2.3
89.02303	0.8
93.03335	2.0
95.01260	1.1
98.20549	2.1
101.02324	2.2
107.01268	0.9
113.02295	1.2
117.03333	21.6
118.03654	1.0
119.04880	2.0
121.02827	4.0
124.01591	0.8
125.02311	1.0
132.77451	0.8
133.02820	1.6
135.00784	1.5
135.04387	1.8
136.68277	0.8
142.38472	0.7
145.02817	0.9
149.02361	3.7
151.00258	1.9
159.04427	2.2
161.02345	10.6
163.00266	5.0
163.03873	4.4
165.01834	3.1
175.03938	2.3
176.07072	2.5
177.01801	1.2
179.03412	1.3
185.02417	1.0
187.12210	0.8
191.03400	1.9
193.01369	1.5
196.05174	1.3
197.06209	1.0
201.05363	1.1
203.03389	1.5
209.06026	1.5
211.07600	1.0
223.04446	1.4
224.04692	1.4
225.05481	1.9
237.05452	1.5
239.07082	3.4
241.04781	0.8
253.05017	3.7
254.05817	1.3
267.06610	1.3
268.03738	10.0
269.04520	22.5
270.04831	2.2
281.04526	28.4
282.05258	28.4
283.06067	51.0
284.06396	4.3
293.04483	2.6
295.02826	0.7
295.06052	11.0
296.06705	1.2
308.03183	3.0
309.03848	2.6
311.05588	100.0
312.05984	9.1
314.04407	2.7
323.05579	18.4
324.05872	1.2
325.07236	2.1
341.06613	71.8
342.06961	8.9
353.06641	2.9
361.07080	1.4
371.07861	1.0
379.08194	1.5
397.09244	14.7
398.09598	1.5
415.10291	64.0
416.10510	9.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1034
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62927	0.6
55.50842	0.5
59.01243	0.9
62.70529	0.7
65.00204	0.6
71.01227	1.0
71.19175	0.8
71.19505	1.1
77.03831	2.8
79.01753	2.4
88.88607	0.7
89.02315	0.7
94.38466	0.7
105.03351	0.8
114.59374	0.6
117.03364	1.2
119.04917	0.5
121.02821	2.1
143.04919	1.8
145.02812	2.5
165.01836	2.2
179.08585	1.0
181.06485	2.0
195.08040	1.7
209.06107	0.9
212.11247	0.6
221.05948	0.8
223.07614	4.9
237.05547	2.2
238.06297	1.1
239.06970	0.8
253.05005	4.9
257.90323	0.7
265.05011	7.3
266.05634	3.9
267.06592	64.9
268.06958	6.0
277.05008	2.3
279.06613	5.6
293.04419	1.3
294.05127	0.7
295.06091	100.0
296.06421	10.5
298.04858	3.6
307.06100	11.4
308.06445	1.2
309.07916	0.7
319.05838	0.6
323.05417	0.8
325.03329	1.4
325.07153	26.2
326.07449	3.1
335.24741	0.6
337.06989	1.9
397.09473	0.8
415.10321	48.5
416.10645	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	415.1037
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	0.3
59.01252	14.2
65.00182	0.5
69.46019	2.6
71.01249	1.9
72.26519	0.3
72.99175	0.4
73.02822	0.5
74.02344	0.9
77.03432	0.5
77.03839	6.7
78.04168	0.4
79.01769	3.3
85.02817	1.0
87.04401	0.3
89.02317	0.8
90.21067	0.3
93.03303	0.9
98.20525	0.7
101.02338	0.9
101.03848	0.7
105.03339	2.1
107.01276	1.1
109.02785	0.3
111.00809	0.5
113.02349	0.6
115.02153	0.3
115.05386	0.4
117.03304	0.4
119.04910	3.4
121.02838	5.5
123.04404	0.4
133.02876	0.5
137.02229	0.4
143.04935	5.3
145.01741	0.2
145.02847	5.8
149.02348	5.1
157.06520	0.7
161.02319	1.4
165.01816	0.9
165.06966	0.4
167.08496	0.7
169.06438	0.4
173.13318	0.4
176.07076	1.3
179.03394	0.6
180.05710	0.5
181.06538	0.9
187.03955	1.3
195.08063	1.9
197.05988	0.5
199.07529	1.1
204.57683	0.3
208.05067	0.4
209.05959	0.4
211.07585	0.5
221.05977	0.8
223.07585	3.9
224.08037	0.6
225.05501	0.9
227.07094	0.9
235.13580	0.3
238.06221	0.5
239.07111	0.4
251.07089	0.6
253.04994	1.9
265.04990	0.8
266.05872	0.5
267.06616	77.2
268.06964	6.7
277.05045	3.0
278.05838	0.4
279.06662	1.0
287.16849	0.6
293.04608	1.0
295.06107	100.0
296.06448	10.0
298.04700	0.9
307.06137	3.2
308.06512	0.4
325.07065	2.9
326.07501	0.4
344.15045	1.1
415.10349	79.3
416.10660	10.8
416.21136	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	415.1034
Annotation	Isomolludistin
Peak:m/z	Relative Intensity
59.01247	3.8
65.00171	0.6
67.01747	0.9
68.89274	0.4
71.01238	1.4
73.02827	0.6
74.45351	0.4
85.02825	0.7
88.20264	0.4
89.02280	0.9
89.03814	0.7
91.01768	1.0
98.19768	0.8
101.02303	0.8
109.02835	2.9
115.00243	0.6
117.03323	0.5
119.03403	0.6
121.02848	0.7
133.02841	22.6
134.03162	1.4
147.04388	1.6
149.02367	0.5
161.02356	0.6
163.00232	0.8
175.02443	0.5
175.03900	7.7
176.04250	0.7
177.01845	7.2
199.03944	2.6
201.01833	2.0
201.11281	0.9
225.05457	1.7
230.67604	0.5
237.05597	0.7
239.07077	1.1
241.05046	1.1
243.06691	0.5
251.03354	0.5
265.05008	1.1
266.05807	0.6
267.06564	3.3
268.03867	0.4
268.06726	0.6
269.04559	1.9
283.06140	2.5
284.03296	2.4
285.03876	0.8
293.04489	0.8
295.05939	2.3
297.04111	3.5
298.04684	3.2
299.05301	0.8
307.05954	0.5
309.04053	9.4
309.07376	0.9
310.04477	1.6
311.05588	100.0
312.05957	10.7
323.05597	1.2
325.07117	5.4
337.07022	0.6
341.06604	1.2
353.06616	5.3
379.08395	0.9
397.09314	9.2
398.09674	1.5
415.10324	49.0
416.10788	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	415.1035
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50433	0.6
55.01752	0.6
59.01250	6.1
65.00188	1.2
69.62558	3.3
71.01247	6.9
72.99175	1.3
73.02792	1.3
77.03833	3.7
79.01763	3.4
83.01247	1.8
84.03136	0.6
85.02802	1.5
87.00743	3.8
89.02316	1.6
90.41573	0.5
95.01230	1.0
97.02812	1.4
98.20571	0.7
100.72386	0.5
101.02305	1.9
105.03310	1.1
109.02792	1.0
111.08055	0.5
113.02316	0.8
115.00250	9.7
117.03334	1.6
119.03393	0.8
119.04870	1.3
121.02831	3.5
125.02294	1.2
133.02885	1.4
137.02345	0.6
143.04907	2.3
145.02838	4.6
157.01270	1.2
157.06519	1.2
161.02222	0.5
161.04451	1.0
163.00331	0.9
165.01804	2.1
167.08551	1.5
171.10136	2.2
175.02405	18.8
175.03854	0.9
180.05659	0.9
181.06497	3.1
190.49100	0.7
194.07268	0.8
195.08005	1.6
201.11220	1.3
209.05861	0.9
209.11774	1.6
223.07594	5.6
237.05453	1.4
238.06282	1.4
239.07043	1.7
252.04239	0.6
253.05055	4.8
265.05014	8.7
266.05795	3.4
267.06598	71.0
268.06906	8.4
269.04434	1.0
277.05066	2.9
279.06586	5.9
279.12445	1.0
283.06046	0.8
292.03711	1.0
293.04556	1.8
295.06091	100.0
296.06424	9.8
297.04050	0.7
297.13260	1.4
298.04773	5.8
299.05600	0.9
307.02652	0.4
307.06073	12.0
308.06357	1.2
309.07825	0.6
311.05688	4.6
315.14505	2.2
324.81024	0.6
325.07129	27.4
326.07385	3.2
327.05017	4.6
337.07153	1.9
341.06647	1.2
353.06686	0.7
374.68787	0.5
397.09290	1.8
415.10309	57.9
415.23145	1.8
416.10577	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	414.2857
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	100.0
60.01580	1.7
61.98714	0.8
71.50257	0.9
72.67390	0.7
76.84407	0.6
86.02385	0.7
96.95892	0.7
121.02804	0.7
125.09643	1.5
163.11212	1.8
165.12834	1.5
167.14351	1.4
209.93259	0.7
218.72281	0.7
316.22824	2.2
334.23947	1.9
336.25406	30.5
337.25729	3.5
338.23102	0.7
338.69678	0.7
370.20978	1.2
384.19150	2.4
396.19153	2.0
397.09958	1.1
414.20303	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	415.1032
Annotation	Unknow
Peak:m/z	Relative Intensity
58.39488	0.5
59.01244	4.5
65.00173	1.1
68.67154	0.6
69.50902	4.7
71.01245	3.9
72.99169	1.3
77.03814	2.6
79.01758	2.7
80.46924	0.7
85.02820	1.2
85.23288	0.7
89.02306	1.2
89.03827	1.0
89.57686	0.6
95.01276	1.1
98.20481	1.5
101.02290	1.6
105.03355	1.0
113.02328	0.9
115.00143	0.7
117.03379	1.1
119.04929	1.0
121.02846	4.0
133.02841	3.7
136.01529	0.8
143.04886	2.5
145.02820	3.9
149.02316	0.9
165.01805	2.1
167.08604	0.9
171.97562	0.7
175.03879	1.4
177.01814	0.7
181.06441	2.2
195.07991	1.5
209.05977	0.9
223.07568	5.5
235.07597	1.2
237.05478	1.2
238.06273	1.3
239.07111	1.2
249.15683	0.7
253.04922	5.7
262.20700	0.7
263.07059	0.9
265.05069	6.9
266.05692	4.3
267.06592	68.1
268.06979	6.6
277.05002	1.7
278.05286	0.7
279.06586	6.6
287.60791	0.7
293.04514	1.2
295.06088	100.0
296.06393	9.2
297.04117	0.8
298.04825	3.7
307.06100	10.6
308.06516	1.2
309.04037	1.4
309.07434	1.2
311.05585	13.9
312.05719	0.9
323.05850	1.2
325.07159	25.7
326.07553	2.4
337.07205	1.9
397.09198	2.4
415.10300	61.6
416.10635	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	413.3059
Annotation	14alpha-Hydroxy-5beta-cholest-7-ene-3,6-dione
Peak:m/z	Relative Intensity
57.03323	1.9
78.88697	1.1
97.42623	1.0
107.04904	1.7
108.02049	1.6
109.02843	1.6
122.03620	36.9
123.04456	7.5
134.03653	2.6
135.04408	28.7
136.05237	6.3
137.05966	3.1
149.06018	2.0
150.06760	18.1
151.07547	22.7
154.99933	2.0
165.05449	2.3
193.08626	7.5
224.55168	1.0
276.17291	5.3
344.23502	2.1
395.29449	2.5
398.28384	2.2
413.30557	100.0
414.30939	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	414.2105
Annotation	Unknow
Peak:m/z	Relative Intensity
53.91181	0.5
59.01236	1.1
61.98703	100.0
64.95416	0.5
71.51897	0.7
74.81231	0.5
85.02851	0.6
92.77365	0.5
171.10219	1.6
180.28287	0.5
329.23395	3.9
401.03802	0.5
414.21030	12.6
415.21344	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	413.2906
Annotation	Unknow
Peak:m/z	Relative Intensity
55.26794	2.3
59.01249	100.0
69.56882	13.3
123.89114	2.5
127.33651	2.4
156.02780	2.3
175.78514	2.4
188.52324	2.2
236.12093	2.4
352.58841	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	413.2907
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98218	4.3
59.01253	100.0
69.39359	4.5
71.50952	5.5
91.69951	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	413.2541
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01235	12.8
71.01255	18.6
71.15379	4.8
72.99172	3.1
85.02824	43.4
87.00747	48.5
98.22242	2.4
101.87339	2.4
103.66138	2.5
111.00751	2.4
112.98715	3.8
115.00255	41.1
129.01823	8.8
157.01344	66.2
157.42010	2.6
175.02419	22.4
254.46985	2.4
255.23276	100.0
255.25974	4.8
256.23596	9.6
413.25455	58.7
414.25781	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	413.2694
Annotation	bis-Norstriatol
Peak:m/z	Relative Intensity
57.06798	0.7
68.24005	0.7
79.05367	0.9
85.06474	1.1
102.01714	0.8
107.04896	1.1
109.06426	1.5
111.04393	6.2
112.01810	0.7
123.08056	3.6
140.97093	0.7
159.08080	1.0
161.09596	2.4
163.03902	1.0
163.07565	1.2
166.02618	0.9
187.07474	0.9
205.08638	4.6
207.06483	1.0
208.07327	8.0
215.07057	0.8
221.08147	4.5
229.10327	0.8
229.12296	3.3
231.13858	7.1
233.08138	12.0
233.15385	2.2
257.11801	1.7
261.11221	1.0
275.12885	79.0
276.13196	6.1
296.22205	0.8
344.19995	1.1
369.27994	1.7
372.50345	0.7
413.26944	100.0
414.27310	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	413.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34030	0.3
57.03315	0.5
59.01248	100.0
60.01591	1.1
61.98708	0.3
63.63863	0.3
67.63857	0.3
70.78905	0.8
71.01245	4.3
71.04905	0.9
73.02819	1.6
78.95724	0.3
83.01278	0.6
85.02830	1.9
89.02348	1.0
98.03611	0.4
99.00719	0.3
101.02323	2.9
113.02341	1.7
119.03387	0.6
127.33987	0.3
133.02856	2.6
137.09631	2.1
139.11186	2.3
143.03432	0.5
161.02379	0.9
161.04468	1.6
163.00296	1.0
172.70180	0.3
191.14359	0.5
199.03917	0.3
201.01904	0.5
209.15419	3.9
222.82260	0.3
225.05603	0.4
227.03479	0.5
249.11125	0.4
251.16499	0.4
253.05110	0.5
255.03156	0.3
269.04633	0.6
285.04041	4.3
286.04364	0.4
297.04028	10.8
298.04465	1.3
309.04163	0.4
311.05603	1.9
339.04861	1.2
353.06235	0.7
369.05545	1.9
371.20688	1.7
395.07605	0.5
413.08527	3.6
413.21909	0.8
414.09067	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.218
Annotation	Unknow
Peak:m/z	Relative Intensity
56.28844	0.3
57.03336	0.3
59.01249	100.0
60.01588	1.1
62.10486	0.3
67.18974	0.2
71.01250	2.3
73.02821	0.6
75.20181	0.2
83.01266	0.4
85.02835	1.1
89.02342	0.5
95.01290	0.3
96.99818	0.3
98.20665	0.6
99.00736	0.4
100.38248	0.3
101.02342	1.7
102.82133	0.3
107.80836	0.3
113.02339	0.9
114.05570	0.3
133.02818	1.4
146.22816	0.3
149.92232	0.3
157.46498	0.3
161.02328	0.4
161.04509	1.0
163.00266	0.4
194.10112	0.4
201.01976	0.4
211.24483	0.3
217.15405	0.3
222.09587	0.8
225.05644	0.3
240.10606	1.3
269.04617	0.3
284.03009	0.3
285.04037	2.0
287.04971	0.3
297.04022	5.0
298.04578	0.6
308.13297	0.6
309.04178	0.7
311.05789	1.0
326.14410	1.5
339.04929	0.3
369.06076	0.4
371.20621	0.6
413.08740	5.8
413.17303	2.2
414.09155	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.218
Annotation	Unknow
Peak:m/z	Relative Intensity
56.28844	0.3
57.03336	0.3
59.01249	100.0
60.01588	1.1
62.10486	0.3
67.18974	0.2
71.01250	2.3
73.02821	0.6
75.20181	0.2
83.01266	0.4
85.02835	1.1
89.02342	0.5
95.01290	0.3
96.99818	0.3
98.20665	0.6
99.00736	0.4
100.38248	0.3
101.02342	1.7
102.82133	0.3
107.80836	0.3
113.02339	0.9
114.05570	0.3
133.02818	1.4
146.22816	0.3
149.92232	0.3
157.46498	0.3
161.02328	0.4
161.04509	1.0
163.00266	0.4
194.10112	0.4
201.01976	0.4
211.24483	0.3
217.15405	0.3
222.09587	0.8
225.05644	0.3
240.10606	1.3
269.04617	0.3
284.03009	0.3
285.04037	2.0
287.04971	0.3
297.04022	5.0
298.04578	0.6
308.13297	0.6
309.04178	0.7
311.05789	1.0
326.14410	1.5
339.04929	0.3
369.06076	0.4
371.20621	0.6
413.08740	5.8
413.17303	2.2
414.09155	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80332	0.3
54.32181	0.3
55.91620	0.3
58.84615	0.3
59.01249	100.0
60.01585	1.0
66.09037	0.3
69.61456	1.9
134.64189	0.3
157.13167	0.3
159.32079	0.3
161.17183	0.3
190.50021	0.3
198.41248	0.3
339.04294	0.5
423.21902	0.3
429.26764	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1998
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01229	4.9
60.97398	1.5
61.98677	5.4
71.49877	1.5
72.97398	26.5
74.98966	16.7
87.00314	1.4
87.00750	13.4
96.95915	2.0
102.98438	1.2
104.77428	1.2
111.07993	1.5
113.04160	4.7
117.03312	1.6
118.97977	1.3
119.04957	1.5
120.99539	15.3
127.02132	6.7
142.04486	2.9
145.02834	2.5
165.12747	13.2
167.14304	3.5
181.12299	1.5
202.70003	1.2
211.13356	3.5
223.13318	8.9
225.15033	1.4
229.14349	3.8
231.45610	1.3
247.20541	2.3
256.11328	33.4
256.15637	1.2
257.11679	2.7
258.39163	1.5
273.18597	4.8
291.19650	46.3
292.19876	3.8
293.21182	9.5
307.17227	4.0
315.88235	1.3
323.50290	1.4
325.18393	100.0
326.18741	10.9
373.29510	1.3
413.19907	84.5
414.20151	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	413.15
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20528	1.1
58.02848	4.2
58.99469	1.5
60.84016	1.1
66.08580	1.3
69.18523	9.0
69.18945	3.8
70.02849	2.1
72.04422	1.3
74.02345	48.2
77.72552	1.2
82.02849	4.0
82.49705	1.2
86.02338	1.9
87.05511	12.4
90.00063	1.4
94.06481	1.3
97.03957	6.8
98.02306	1.3
98.05995	1.8
98.20576	2.8
99.05524	17.6
100.00287	2.2
108.04454	2.0
109.47630	1.1
110.05975	3.2
112.07622	1.2
113.03437	15.4
116.01621	2.0
125.03458	4.2
126.04255	3.5
127.04973	1.2
129.06546	1.2
132.08403	3.3
143.04518	7.6
144.01164	1.3
150.12788	4.2
153.06596	2.1
153.86757	1.3
160.00655	1.6
164.10707	5.3
170.03270	4.2
188.46233	1.3
210.12416	1.9
221.12988	1.4
233.12724	2.1
246.16077	1.9
249.62321	1.3
254.11598	1.9
264.17166	6.9
267.11765	1.3
290.97302	1.3
296.16098	2.1
298.15988	1.2
308.16162	57.5
309.16409	5.9
318.40121	1.3
342.14911	100.0
343.15201	8.5
368.12747	9.0
386.13873	18.4
387.14590	2.6
395.13959	3.5
413.14844	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	413.1088
Annotation	Unknow
Peak:m/z	Relative Intensity
56.45555	0.4
59.01250	0.5
60.98524	0.4
63.86605	0.4
64.11536	0.5
68.42879	0.4
70.78484	1.0
71.01252	0.5
87.00749	0.5
88.87936	0.5
95.81388	0.4
105.01800	2.8
107.23964	0.4
119.04912	100.0
120.05241	5.3
145.02890	0.5
163.03912	76.1
164.04250	4.1
164.43301	0.4
170.86774	0.5
175.26920	0.5
185.62901	0.4
205.05090	0.5
223.66489	0.6
251.05595	2.4
262.99985	0.5
325.09296	6.9
326.09528	0.7
328.31415	0.4
413.10858	13.6
413.16174	0.9
414.11047	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	413.1091
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92752	0.6
51.35061	0.6
57.03309	0.8
59.01243	2.1
71.01251	1.5
71.49095	0.7
71.49483	1.0
72.99155	1.2
76.31795	0.7
83.01230	0.7
85.02825	4.8
87.00751	6.0
89.02322	1.5
93.03284	0.8
96.95872	1.2
99.00829	0.7
105.01814	7.9
109.02828	3.2
113.02337	0.9
115.00257	0.9
119.04913	100.0
120.05258	3.9
135.04382	5.7
145.02840	4.6
149.05992	2.7
161.06003	1.9
163.03914	99.6
164.04279	4.6
167.51105	0.8
189.05469	5.4
190.05827	0.9
191.01918	1.3
207.06551	6.0
209.02933	0.8
213.00066	0.8
248.96684	0.9
251.05632	5.5
270.06686	0.8
325.09320	6.3
337.07837	1.6
413.10840	19.5
414.11151	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1455
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61436	0.3
55.01753	0.5
57.03324	34.4
57.07833	0.4
58.03627	0.5
59.01251	35.0
60.01572	0.6
61.83779	0.3
71.01249	8.3
71.01840	0.4
71.08289	0.8
72.89985	0.3
72.99154	0.6
73.02818	3.3
74.02338	0.9
75.00711	0.4
78.95753	0.9
79.62623	0.4
81.03316	0.7
83.01228	1.6
85.02816	4.8
87.00740	0.6
89.02321	2.1
89.05102	0.4
95.01248	0.8
97.02792	0.3
98.23576	0.4
99.00710	0.9
99.04395	27.1
100.04715	0.6
101.02321	13.0
102.02608	0.4
103.01762	0.7
107.01262	0.3
107.04940	0.4
113.02341	4.4
115.02074	0.5
117.03344	12.5
119.03369	0.8
120.99497	0.9
125.01469	0.6
125.02335	8.2
126.02675	0.4
128.03438	0.3
131.00395	0.3
131.01292	5.8
132.01556	0.5
139.17422	0.4
143.03401	0.6
143.04494	0.6
147.00754	0.7
152.99492	0.5
153.40651	0.3
159.02953	0.4
161.04468	3.7
163.03841	0.9
173.02357	6.4
175.00290	15.4
176.00526	0.9
177.01877	0.4
193.01338	0.6
193.06519	0.5
237.05501	0.7
249.05643	0.9
251.12891	0.6
265.04922	0.4
269.10272	8.5
270.10599	0.4
281.04535	0.6
293.04553	100.0
294.04895	12.1
295.06293	0.5
308.16141	0.5
311.05563	1.1
335.05511	0.9
342.15158	0.4
353.06451	0.4
413.08798	23.3
413.13812	1.1
413.17816	1.1
414.09232	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1087
Annotation	Unknow
Peak:m/z	Relative Intensity
56.84796	0.8
65.62749	1.0
71.50011	1.2
77.50375	0.8
82.90858	0.8
87.00751	8.1
105.01823	10.1
119.04912	100.0
120.05235	3.5
131.29633	0.9
145.02846	5.9
162.05527	1.4
163.03915	90.5
164.04219	4.9
188.03352	2.2
251.05505	6.8
251.07683	0.8
259.98944	0.9
264.03079	1.0
325.09244	6.9
413.10886	26.2
414.11288	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	413.0876
Annotation	Pinnatifinoside A
Peak:m/z	Relative Intensity
59.01246	17.2
59.66666	0.6
65.00202	1.2
70.84372	2.1
71.01243	3.1
72.63734	0.7
83.01286	0.8
85.02834	1.1
86.94672	0.7
88.80977	0.6
89.02310	1.7
95.85299	0.8
101.02312	1.6
104.07412	1.0
107.01261	1.1
108.43652	0.7
109.02799	1.4
117.26705	0.8
119.03345	0.7
121.02841	2.3
123.00783	0.7
131.01292	1.2
133.02840	34.6
135.04402	1.3
145.02769	0.8
147.04422	0.8
148.01506	0.8
151.00278	1.1
161.02342	3.4
163.00250	5.6
163.03957	1.5
165.01881	1.5
173.02345	1.5
173.05992	1.1
174.03177	0.8
175.00273	3.3
175.03889	2.4
183.10297	0.7
189.01859	1.0
190.99791	1.4
191.03485	0.8
199.03905	2.1
201.01868	3.1
211.03969	1.7
213.05583	1.0
213.80972	0.7
215.03381	1.1
217.01414	0.8
217.05083	1.6
225.05548	2.8
227.03384	1.3
233.04512	0.9
235.03951	0.9
239.03482	1.3
241.04955	0.8
243.03023	0.8
253.05020	3.1
255.02898	2.6
256.03781	2.1
265.04965	1.1
267.02951	1.4
269.04660	1.4
281.04510	1.1
284.03250	40.4
285.03888	9.6
291.03192	0.9
297.04037	23.9
298.04681	8.2
299.05579	17.4
300.05991	1.5
309.00397	1.0
309.04007	20.0
310.04498	2.1
311.01895	0.9
313.03531	2.2
322.04633	0.8
323.05478	1.5
324.02652	3.7
325.03510	37.7
326.04077	4.0
327.05133	2.3
341.06595	8.1
342.06876	1.2
343.04486	3.0
350.87390	0.8
351.05011	1.2
351.08740	11.6
352.08954	1.5
353.02975	21.5
354.03494	1.8
367.08154	4.9
369.06128	7.6
370.06570	1.0
371.04077	1.0
371.20557	0.8
377.06766	1.5
395.07678	33.1
396.07932	3.5
413.08752	100.0
414.09012	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	413.0877
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09985	0.6
57.03331	0.6
59.01247	10.0
65.00185	1.8
70.91028	1.4
70.91384	1.0
71.01248	2.2
73.02827	1.3
85.02802	1.1
94.87640	0.7
95.01237	0.8
103.05401	1.3
105.03312	0.7
107.01268	0.8
108.74242	0.7
109.02827	4.2
113.02324	0.8
117.03313	0.8
119.04903	0.7
123.04388	1.3
131.04892	0.9
132.02083	1.2
133.02847	42.6
134.03171	1.5
135.00789	1.2
135.04369	0.9
137.07086	1.5
147.04428	2.2
149.02290	0.8
149.06027	0.8
151.00288	1.9
159.04495	0.9
161.02357	6.8
163.00287	7.8
173.02350	1.4
173.06012	2.4
175.03937	9.1
177.01900	4.7
178.99762	0.8
187.03917	0.9
189.05507	1.4
189.12782	0.8
191.03362	1.3
199.03899	4.4
201.01886	5.5
203.03508	0.8
211.03951	1.7
213.14883	2.0
215.07077	1.2
217.04997	2.0
224.04750	0.9
225.05530	3.1
226.02657	0.8
227.03467	2.2
239.07117	1.2
240.04347	0.8
241.05011	2.2
243.02885	0.8
251.03345	2.2
253.04971	2.2
255.02985	2.7
263.07047	0.9
265.05069	1.4
267.02994	0.9
267.06485	0.9
269.04504	3.6
283.06097	0.9
284.03201	2.7
285.04034	31.2
286.04297	1.9
293.04465	1.5
297.04034	61.6
298.04413	6.2
307.06049	3.0
308.07224	0.8
309.04022	9.4
310.04617	1.3
311.02246	2.3
311.05588	35.2
312.05850	4.1
312.69675	0.9
313.03555	17.8
314.03915	2.6
321.03928	1.0
322.04541	1.0
323.05615	1.2
325.03345	1.5
325.07184	24.6
326.07529	2.6
327.05304	0.8
335.05728	2.1
336.06329	1.6
337.03555	1.0
339.05038	18.3
340.05466	2.4
351.05588	1.4
351.08734	34.9
352.09036	4.6
353.06555	5.8
354.07126	0.8
369.05969	7.9
369.09814	20.4
370.10129	2.1
377.06674	1.2
395.07700	13.3
396.08170	1.9
413.08759	100.0
414.09064	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	412.1246
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01243	3.8
59.01510	0.9
69.59574	6.5
71.34371	0.9
72.99194	1.0
73.02808	1.2
75.00749	100.0
90.20634	0.9
98.20557	1.2
121.02843	3.9
125.28764	0.9
146.02371	4.5
167.18126	1.3
200.55244	1.0
292.08112	1.3
389.14246	1.3
431.72388	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	412.216
Annotation	Unknow
Peak:m/z	Relative Intensity
58.92753	0.7
59.01250	4.0
60.70680	0.7
61.98700	33.6
70.05760	2.8
71.01254	1.5
72.99181	0.7
85.89839	0.7
87.00803	0.8
90.32175	0.7
94.25552	0.6
96.95876	0.8
98.20601	0.7
98.69956	0.6
120.01138	100.0
121.01495	2.5
121.71279	0.7
158.74817	0.8
167.06038	1.2
175.02419	0.8
208.25572	0.7
211.13380	2.3
291.19754	1.0
327.21786	1.2
412.19205	3.5
413.21799	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.0878
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	10.0
61.20222	0.5
65.00205	0.7
69.40877	2.4
69.41304	2.6
71.01258	3.3
73.02815	1.9
73.26641	0.6
74.99738	0.6
77.03838	0.7
80.97226	0.6
83.01263	1.1
85.02803	1.3
87.00716	0.7
89.02314	1.4
93.03345	1.1
95.01277	0.8
98.20537	1.3
101.02319	2.4
107.01240	1.2
109.02850	1.3
113.02308	1.4
113.79041	0.6
117.03339	5.2
119.04879	0.6
121.02807	1.2
125.02315	1.1
133.02838	17.8
135.00771	1.5
135.04420	1.1
137.02361	0.8
147.11720	0.9
149.02303	1.7
151.00287	0.9
159.04366	1.3
161.02342	9.0
163.00290	10.9
163.03941	0.8
165.01828	5.9
165.09161	0.8
171.04404	1.0
175.00241	0.9
175.03905	2.4
177.01889	1.6
178.99805	0.7
181.06297	0.8
182.03664	0.7
189.01878	2.0
189.12874	1.3
190.99709	0.9
197.05884	1.2
199.03926	2.8
201.01865	1.4
207.02913	2.0
207.13870	1.1
209.06244	0.7
209.08099	3.0
211.03854	1.4
217.04980	1.5
219.51523	0.7
224.04742	1.1
225.05562	4.4
226.02611	0.7
227.03406	2.8
229.04958	0.9
237.05486	1.5
239.07162	0.9
241.05040	2.2
251.03464	1.0
251.12845	1.7
253.05045	4.6
255.02910	3.8
268.03632	1.1
269.04544	18.8
270.04745	0.8
277.12244	0.7
281.04553	13.1
282.05237	3.6
283.06097	12.8
284.03275	2.0
284.06326	0.9
285.04016	28.4
286.04434	2.4
293.04449	1.3
295.05991	0.7
295.23859	0.7
297.04025	75.8
298.04349	8.3
299.05478	0.8
308.03253	0.9
309.04047	10.1
310.04761	2.3
311.02490	1.1
311.05597	32.2
312.05923	3.5
313.03537	7.8
314.04120	2.2
321.03955	1.5
323.05591	2.0
325.03497	4.0
325.07181	2.0
326.04227	0.9
327.05048	32.6
328.05371	3.3
339.05185	2.9
341.06653	2.8
351.05035	3.2
351.08902	1.9
353.06680	1.5
367.08191	0.8
369.06122	10.7
369.10342	1.2
370.06723	1.4
377.06641	1.2
395.07703	6.9
413.08752	100.0
413.21695	1.9
414.09055	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	411.2387
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01239	3.0
61.98699	5.4
68.80093	0.9
69.78182	1.7
69.78582	3.1
71.01247	1.3
75.00740	0.8
79.29259	0.9
80.51871	0.6
111.08036	0.9
111.44535	0.7
113.55034	0.7
116.92750	0.9
127.88747	0.8
135.02847	1.5
138.92303	0.8
171.10229	0.9
171.39279	0.8
195.13847	6.9
223.13335	7.2
224.13753	1.0
228.13567	1.4
256.13138	1.8
275.20178	5.8
293.21219	100.0
294.21570	9.4
411.23914	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	411.275
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78067	3.0
50.82461	2.8
59.01249	100.0
69.36901	12.3
69.37334	13.1
83.85944	2.8
97.22951	3.4
98.19809	5.9
152.99515	4.6
154.99838	3.4
178.44533	3.7
248.81688	4.4
261.18652	3.2
304.32883	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.275
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41156	1.9
56.66252	2.1
59.01249	100.0
68.00142	2.2
70.09344	7.0
70.09746	3.9
78.95784	2.7
85.15614	2.2
97.08807	2.2
102.19050	2.2
216.81987	2.5
247.38809	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2364
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	1.7
59.01260	8.7
61.80454	1.3
61.98733	1.9
63.25944	1.6
71.04913	1.6
71.52378	2.0
76.96961	1.5
83.49796	1.5
85.63123	1.6
99.08065	8.9
100.63497	1.6
111.00751	1.8
125.09603	5.0
127.11206	8.4
137.09645	1.9
139.11188	34.0
140.11523	1.7
143.20032	1.6
148.55653	1.6
157.12245	5.9
165.08853	3.6
165.12759	4.8
171.08771	3.6
171.10196	57.9
172.10547	3.6
174.72736	1.9
191.06746	2.3
193.08395	97.1
193.73134	1.7
194.08708	3.7
209.07986	2.5
211.13353	11.9
221.11665	2.9
229.14412	5.6
233.11568	33.4
234.11855	3.0
249.11111	4.7
251.12563	12.0
281.08554	1.6
329.23346	100.0
330.23624	10.8
333.19427	5.1
351.21451	43.7
352.21539	5.8
395.20584	10.2
396.21167	2.0
411.23639	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	411.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03317	1.0
58.00487	0.9
59.01249	100.0
60.01578	1.4
61.98687	0.6
62.05268	0.6
63.02276	0.7
64.40369	0.5
69.03352	0.7
69.24650	1.4
69.25053	3.6
71.01250	17.0
71.01622	1.0
72.99193	1.5
73.02814	15.8
83.01257	5.1
83.04878	0.5
85.02818	3.4
87.00763	1.1
89.02314	6.9
89.15457	0.5
95.01285	1.6
97.02853	0.7
101.02326	14.9
107.01289	1.6
109.02820	8.4
113.02321	8.2
119.03415	2.2
121.06480	0.7
125.02337	1.0
131.00310	0.5
131.01276	0.6
131.03419	2.0
133.02843	15.1
134.03271	0.8
135.00816	0.7
137.09622	5.5
138.09995	0.6
143.03458	0.8
149.02403	1.8
149.04411	0.7
151.00336	2.3
159.00822	0.6
161.02426	1.8
161.04451	2.7
163.00256	2.6
173.02318	0.8
174.01640	0.6
175.00241	1.2
175.03972	2.9
177.01947	1.8
179.05516	0.9
189.12852	1.1
199.04001	1.5
200.01219	0.7
201.01837	4.5
202.99857	2.4
205.05060	0.7
213.05702	1.0
215.03603	0.6
217.05046	1.0
218.99379	2.2
219.02899	1.0
225.05548	1.2
229.05154	1.0
233.04520	4.1
241.05074	0.8
243.02989	0.9
245.00986	1.4
247.06233	2.5
253.05196	1.3
253.44121	0.6
255.03067	1.0
257.04517	7.7
265.05063	0.7
267.02930	0.7
269.04626	1.7
273.04099	1.0
275.05585	5.9
276.06006	0.9
284.03467	1.9
285.04034	56.1
286.04431	6.0
293.04782	0.9
297.04050	17.0
298.04556	1.7
301.03519	23.4
302.03952	2.5
309.04034	6.8
310.04712	1.3
311.02191	1.2
311.05731	6.1
311.08752	0.7
312.05981	0.6
321.04193	0.9
324.02890	0.7
325.03528	0.7
337.03522	10.3
337.07413	0.6
338.04089	1.6
351.05200	1.2
367.08478	1.4
380.77515	0.6
383.07684	6.3
384.08185	0.8
393.06387	2.4
411.07242	14.0
411.12225	1.0
412.07724	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	411.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01753	0.5
58.00483	0.6
59.01248	100.0
60.01596	1.4
61.42294	0.5
65.00200	0.5
68.76324	0.4
69.39305	3.8
71.01250	17.2
72.99188	0.9
73.02820	15.7
81.03312	0.7
83.01258	3.8
83.04893	1.3
85.02810	3.1
87.00768	1.5
89.02308	5.8
89.02766	0.5
95.01267	1.1
97.02793	0.5
99.00733	0.6
101.02322	15.6
107.01268	0.4
109.02824	2.6
109.15862	0.4
113.02332	8.2
119.03392	2.8
121.06511	0.9
125.02357	0.5
131.03406	1.3
133.02841	4.9
137.09622	6.4
143.03387	0.9
149.04501	0.5
151.00293	0.9
161.04463	3.4
161.13301	0.8
163.00323	0.8
167.56473	0.4
167.59798	0.4
175.00357	0.6
175.03915	0.9
177.01971	0.5
179.05579	1.5
187.11177	0.6
189.12894	1.0
199.03990	0.7
200.01004	0.5
201.01921	1.1
202.99889	1.0
205.05154	0.6
205.12321	0.9
218.99399	0.7
229.05092	0.5
233.04546	1.1
247.06117	1.4
249.11372	1.3
257.04501	2.7
267.03000	0.5
273.04138	0.7
275.05710	1.8
284.03253	0.6
285.04019	18.4
286.04605	2.0
297.04037	5.9
298.04428	0.6
301.03461	7.0
302.04031	1.0
309.04172	1.9
311.05704	2.0
337.03537	3.9
343.61566	0.5
351.05130	0.5
367.08557	0.6
383.07675	2.7
384.07846	0.6
393.06131	0.7
411.07040	4.6
411.27643	1.4
412.07397	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.0721
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	1.0
57.62135	0.7
59.01235	2.6
63.02255	1.0
65.00198	1.8
70.93520	1.0
70.93861	2.0
71.01244	0.8
77.31372	0.9
105.03258	1.0
107.01281	1.4
109.02835	3.0
115.11375	0.9
117.03368	1.6
133.02838	37.5
133.03845	2.0
134.03258	0.9
135.00746	2.4
137.02460	0.9
137.43195	0.8
145.02888	1.4
149.02347	1.7
151.00275	2.5
152.48013	0.9
152.49237	0.8
159.00801	2.3
161.02327	8.9
163.00273	13.4
164.00580	1.0
171.04521	1.1
173.02325	1.2
175.00264	0.8
175.03981	5.1
177.01842	3.5
189.05518	2.0
191.03363	1.2
197.05937	1.1
198.03209	0.8
199.03935	2.9
200.01154	1.1
201.01843	14.6
202.99776	13.6
203.03239	0.8
209.05905	1.3
211.03876	1.6
213.05447	1.1
225.05420	4.2
226.02669	1.2
227.03357	3.0
237.05453	1.5
241.05151	1.8
251.03464	1.6
253.05034	4.5
255.03064	4.3
257.04401	1.8
263.03482	1.1
265.05051	1.9
267.02945	1.6
269.04568	3.4
277.04980	1.1
281.04626	1.1
284.03452	1.1
285.04022	75.0
286.04379	7.0
293.04449	5.4
295.02515	2.9
297.04025	100.0
298.04355	9.9
301.03439	5.0
304.75037	0.9
309.04050	6.3
310.04596	1.0
311.05594	28.4
312.06009	2.3
319.02203	1.3
321.04007	1.5
323.05695	1.8
337.03513	66.9
338.03912	11.0
351.05090	12.3
352.05316	1.6
355.04657	4.3
365.06613	3.5
367.08270	7.4
368.08701	1.2
393.06113	11.1
411.07169	31.9
412.07568	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.072
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03313	1.9
59.01239	2.3
63.02231	1.2
65.00177	2.4
65.97585	0.9
69.61153	4.2
69.61563	2.4
71.01244	1.3
81.62213	0.9
85.02798	1.5
98.20543	2.1
105.03321	0.9
107.01271	2.6
109.02824	8.9
117.03317	1.8
130.61977	0.9
131.01291	1.2
131.09749	1.1
132.02084	1.2
133.02849	36.5
134.03209	1.2
135.00740	1.3
137.07060	2.0
141.87108	1.1
145.02852	1.3
147.04385	1.4
151.00273	5.7
152.34189	1.3
159.00778	1.3
161.02364	6.5
162.99135	1.3
163.00291	10.2
173.02367	1.1
175.00302	1.6
175.03914	8.8
177.01848	4.0
187.00484	1.1
189.05510	1.5
193.01553	1.2
193.22711	1.1
197.05954	1.2
199.03984	4.2
200.01059	1.5
201.01823	10.9
202.99805	10.2
211.03960	2.0
213.05455	1.3
215.03333	1.4
217.04932	1.6
218.99303	2.7
219.02893	2.2
225.05539	4.0
227.03400	3.5
233.04485	4.7
237.05359	1.5
241.05008	2.2
245.00885	3.0
249.05553	1.5
249.15019	1.9
253.05014	3.4
255.02907	3.8
257.04565	8.2
265.05057	1.4
267.02936	1.8
269.04495	3.1
275.05569	6.4
281.04599	1.4
285.04028	100.0
286.04410	9.6
289.15662	1.4
293.04477	5.4
295.02499	2.5
297.04025	83.7
298.04312	8.3
301.03537	23.6
302.03931	3.3
305.08694	1.2
309.04086	11.1
310.04333	1.9
311.02158	1.4
311.05557	27.4
312.05984	3.3
321.03955	3.3
323.05801	1.2
337.03506	47.8
338.03976	7.5
339.05008	1.7
351.05020	9.2
355.04523	4.1
365.06616	2.3
367.08206	5.5
369.06085	1.5
393.06067	10.7
394.06415	1.4
407.61307	1.1
411.07156	38.5
412.07596	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	411.0721
Annotation	Arteminorin B
Peak:m/z	Relative Intensity
59.01243	2.7
61.24398	0.8
65.00185	1.4
70.98359	1.9
71.01268	1.4
97.06536	0.9
101.42991	0.9
105.03341	1.5
109.02832	9.8
117.03329	1.5
123.04444	2.0
132.02078	1.3
133.02847	56.9
134.03181	2.6
135.00742	1.8
145.02870	1.6
145.06503	2.2
147.04405	6.7
149.02367	1.3
151.00319	1.6
159.00797	1.2
161.02332	4.7
163.00267	3.8
171.04407	1.3
173.02350	3.2
175.03947	5.8
177.01825	6.5
187.03912	1.0
189.05511	27.5
190.05780	1.1
191.03412	1.6
199.03932	3.5
201.01862	9.7
202.99757	8.7
204.00192	1.3
211.04002	1.4
213.05496	7.1
215.03421	4.0
217.01358	6.5
225.05537	2.1
227.03421	1.6
231.06569	6.5
233.04463	1.4
237.05429	1.6
240.04044	1.0
241.04910	1.4
251.07010	0.9
253.05028	2.5
255.02911	1.7
257.04553	4.8
265.04962	2.9
267.03152	1.9
269.04486	1.4
279.06406	1.0
284.03214	5.4
285.04037	33.6
285.07220	1.6
286.04370	3.2
293.04630	4.1
295.02402	1.8
295.06134	1.7
297.04037	42.0
298.04370	5.2
305.04935	1.0
306.05310	1.3
307.06064	2.3
309.04047	16.6
309.07364	1.5
310.04544	2.2
311.05615	12.3
312.05988	1.5
319.01978	1.3
321.04108	1.4
322.04526	1.0
323.05588	11.6
324.06021	2.1
325.03418	1.5
325.07117	15.2
326.07437	2.3
337.03516	51.5
338.04120	12.0
349.07034	2.3
351.05121	38.0
352.05539	4.5
355.04578	2.5
365.06747	1.0
367.08206	77.1
368.08582	8.4
379.54358	0.9
393.06400	4.7
411.07193	100.0
412.07578	12.9
436.09006	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	411.0723
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03288	0.6
59.01252	28.9
62.56404	0.4
63.02256	1.0
63.32934	0.4
65.00195	1.8
66.87695	0.5
69.40823	2.4
69.41234	0.9
71.01253	4.3
71.66210	0.4
72.50256	0.4
73.02820	4.1
83.01262	2.1
85.02813	1.5
87.00748	0.5
89.02311	2.0
95.01249	0.9
95.04863	0.5
97.02826	0.5
101.02331	4.0
105.03364	0.8
107.01249	2.0
108.02050	0.6
109.02838	12.9
110.03114	0.5
113.02325	2.7
117.03332	1.1
119.03391	0.7
121.02854	1.1
125.02390	0.7
129.03326	0.4
131.01273	0.8
131.04913	0.4
132.02052	0.6
133.02843	22.5
134.03172	0.9
135.00769	0.6
137.09587	1.5
145.02859	0.8
147.04402	0.9
149.02362	2.3
151.00276	4.4
161.02324	2.9
161.04449	0.9
163.00290	3.6
164.00421	0.5
171.04445	0.6
173.02301	1.1
175.00272	1.0
175.03967	5.2
176.00980	0.5
176.98164	0.4
177.01855	2.2
179.05515	0.5
185.02275	0.6
185.05875	0.6
187.03903	1.0
189.05411	0.8
189.12845	0.4
190.02660	0.6
193.01346	0.9
198.03168	0.6
199.03963	2.7
200.01086	1.1
201.01892	6.3
202.99806	3.6
203.03354	0.7
204.00038	0.5
205.04988	1.1
205.12151	0.6
211.04033	1.3
213.05501	1.0
214.02750	0.4
215.03386	0.8
217.04965	1.3
218.99379	3.2
219.02856	2.7
224.04721	0.5
225.05431	1.7
227.03484	0.7
229.05054	1.5
231.03133	0.5
233.04498	7.8
234.04788	0.6
238.02673	0.6
239.03268	0.5
241.05026	1.4
243.03018	1.1
245.00883	4.6
246.01094	0.5
247.06108	2.6
251.03360	0.8
253.05028	1.4
255.02950	1.7
256.03665	0.7
256.58835	0.5
257.04547	15.0
258.04929	0.9
259.02396	0.6
267.02774	0.8
268.03870	0.4
269.04553	1.5
273.04016	1.7
275.02759	0.7
275.05630	11.2
276.05917	0.8
284.03305	1.7
285.04044	100.0
286.04370	9.3
293.04556	1.6
295.02551	0.5
296.02988	0.7
296.99033	0.6
297.04047	29.9
298.04370	3.5
301.03534	43.7
302.03848	4.5
309.04062	5.4
310.04703	0.8
311.01932	2.0
311.05524	10.2
312.06067	0.7
321.03964	1.0
322.04538	0.8
323.05563	0.8
324.02710	2.9
325.03421	2.3
337.03522	21.4
338.03979	2.6
339.05069	0.7
351.05026	3.3
355.04434	0.8
355.08432	0.9
362.27405	0.5
365.06589	1.2
367.04300	0.6
367.08279	2.5
383.07703	10.7
384.08130	1.8
393.06125	5.1
394.06290	0.7
411.07211	22.1
411.20163	1.2
412.07584	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	410.2732
Annotation	Unknow
Peak:m/z	Relative Intensity
57.50728	0.5
57.92345	0.5
59.01244	0.5
69.81258	0.6
71.22240	1.3
78.95771	16.1
83.01254	0.7
96.96827	1.2
97.06430	0.5
98.05968	0.8
99.92433	0.8
100.03911	2.4
104.84756	0.5
105.92364	0.5
116.92727	1.7
130.95235	0.5
148.04271	49.1
149.04602	1.1
150.97952	0.5
152.99486	17.9
153.99841	3.5
154.99869	1.0
189.89032	0.6
229.65584	0.6
255.23227	1.2
261.22260	2.8
304.26410	12.6
304.29620	0.9
305.26794	1.6
318.28027	8.0
332.25873	1.2
352.54813	0.5
362.26971	14.8
363.27402	1.8
366.28525	1.2
410.27347	100.0
411.27695	15.3
411.31830	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	3.4
61.48930	1.8
61.98691	3.7
71.16286	1.7
71.51299	1.8
71.51743	2.1
78.35188	1.5
78.95757	2.8
80.61151	1.5
84.72105	1.7
89.99487	1.8
91.68691	1.7
95.04909	2.1
99.69389	1.9
100.31380	1.5
108.04567	1.5
109.02824	1.9
118.06519	13.8
121.06532	2.2
125.06003	4.7
136.05150	1.9
139.07495	2.3
139.11241	3.6
147.04388	4.7
147.08084	2.0
148.97090	1.5
151.07510	2.5
161.09624	2.5
162.09219	2.0
164.07060	13.7
164.72847	1.9
165.09186	1.9
171.08105	2.2
171.10175	3.8
175.35550	1.8
187.11307	2.8
193.08408	15.9
201.12827	9.3
203.10693	4.7
204.11404	2.6
214.12299	2.2
219.13731	9.3
245.11748	4.1
305.19095	3.3
329.23376	4.6
351.21558	3.5
366.20779	10.6
373.97305	1.8
410.19705	100.0
411.20148	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	409.2358
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13955	0.3
54.86259	0.3
57.01278	0.3
69.21903	2.1
69.22336	0.7
78.95771	72.1
96.96836	5.8
150.97939	1.7
152.99484	100.0
153.99879	1.1
171.00525	3.1
255.23283	1.9
409.23578	13.5
410.24146	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	410.1452
Annotation	Unknow
Peak:m/z	Relative Intensity
54.72005	1.1
59.01251	100.0
59.07925	1.1
60.01595	1.3
68.73611	1.1
68.98235	1.3
69.15631	4.0
69.16053	9.1
71.01259	13.2
73.02805	9.4
83.01251	3.6
85.02824	2.4
86.52185	1.2
87.00756	2.5
89.02338	1.7
98.02317	1.7
101.02321	9.6
109.01550	1.6
113.02346	3.6
115.91962	1.3
119.03333	1.4
140.03459	1.4
145.04274	1.1
146.06003	6.1
149.04465	1.9
161.04449	6.5
167.38379	1.1
170.06111	1.5
186.86003	1.2
213.62114	1.2
258.52426	1.2
290.10391	8.2
308.11465	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	409.2359
Annotation	1-palmitoyl-sn-glycerol 3-phosphate
Peak:m/z	Relative Intensity
51.34496	0.2
62.96272	0.4
69.22071	2.3
69.35416	0.2
70.95684	0.2
78.95771	69.5
92.98085	0.2
96.96840	5.9
98.20607	0.3
105.01244	0.2
150.97948	1.9
152.99483	100.0
153.99847	1.7
171.00533	2.9
255.23326	1.9
372.79971	0.3
409.23590	14.6
410.23892	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	409.2228
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03309	1.6
59.01242	3.0
61.98703	9.9
62.00648	0.4
62.01439	0.5
71.01244	0.7
71.04885	0.6
71.50097	0.6
72.99187	2.4
75.00747	38.0
76.01074	0.8
78.95762	1.9
80.02520	0.8
83.04926	0.7
84.02040	1.1
85.62679	0.5
87.00730	1.4
90.32489	0.5
96.95881	1.1
97.06473	0.7
99.00750	0.6
108.02064	0.7
109.06461	0.5
111.00768	4.9
111.08036	1.5
112.98682	3.3
113.99479	12.1
115.00302	2.7
115.91913	0.9
116.92749	0.9
121.02841	10.5
121.06443	0.8
122.03615	0.7
125.02309	1.1
125.09607	0.8
127.11184	2.8
135.04416	2.2
139.11087	0.8
141.12741	1.4
147.04404	1.7
149.05998	1.2
150.10408	0.7
151.03897	0.6
151.11143	1.9
152.99489	3.1
153.09084	0.9
153.12688	2.4
155.10753	2.8
161.04678	0.5
161.05963	2.4
163.11151	1.2
163.60468	0.5
164.76175	0.5
165.12711	3.6
167.10661	0.9
175.07523	1.6
176.08351	1.6
178.09908	37.1
179.10283	2.3
179.14297	1.2
182.09399	11.7
183.09875	0.8
191.10696	1.7
191.14352	1.1
192.11455	1.1
193.12189	0.6
204.11534	3.1
207.13773	2.7
211.13370	0.8
217.15897	0.7
231.13795	1.2
232.14659	1.2
235.13449	2.8
237.11298	2.2
253.14584	2.4
275.23804	1.6
276.13663	1.2
278.15247	3.7
279.15649	0.6
285.22284	1.5
289.21832	0.8
291.23224	1.0
294.14603	1.2
295.22711	2.5
301.21756	4.2
301.24683	0.8
303.23166	3.2
307.22797	9.6
309.24335	23.6
310.24817	2.8
311.20291	0.9
315.19717	0.6
317.21201	1.2
319.22769	54.0
320.23169	6.4
321.24335	12.3
322.24722	1.2
327.21844	1.2
329.21207	21.2
330.21545	2.5
333.20642	5.9
334.21036	0.9
335.22046	0.9
337.23706	2.2
347.22247	100.0
348.22610	12.2
349.20270	0.7
351.21814	8.5
352.21960	1.0
363.21460	0.8
365.23288	10.7
366.23709	1.7
373.20227	1.9
391.21194	1.4
409.22266	15.5
410.14087	0.7
410.22668	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	409.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01773	1.5
55.60893	0.8
59.01250	3.7
61.98702	12.4
65.50246	0.8
69.51052	4.7
71.01265	1.5
73.02841	0.9
78.61213	0.7
78.95772	4.2
79.95629	0.8
84.37070	0.7
96.95867	1.2
99.00753	28.2
109.06459	1.0
111.08047	2.3
117.01816	1.8
120.86186	0.7
125.09605	1.0
127.11162	1.5
152.99478	6.2
153.09134	0.8
153.12761	2.9
155.10756	0.9
167.10600	1.2
169.12209	0.9
179.10725	0.9
179.14374	2.3
181.12244	2.9
197.11745	2.6
207.13795	1.9
215.12811	1.0
227.12773	1.1
247.20576	3.8
248.20668	1.1
273.18646	1.4
281.21213	1.6
291.19681	25.7
292.20007	2.6
299.35394	0.9
309.20697	100.0
310.21060	11.5
311.22037	1.2
347.22183	2.2
365.51245	0.8
409.23227	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.223
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80658	0.7
52.78571	0.8
54.90548	0.6
55.01746	2.0
55.63771	0.6
56.58383	0.6
59.01244	4.4
61.98701	16.3
71.01258	2.0
73.02814	5.2
73.88782	0.6
75.00748	5.3
78.95779	4.3
85.02837	0.8
96.95892	1.3
97.06467	1.5
98.19788	1.7
99.00756	44.8
99.92449	1.6
100.01063	1.2
109.06480	0.9
113.09603	1.7
115.07571	0.7
115.91963	1.6
116.92726	1.4
117.01812	10.8
139.11119	1.0
141.09085	1.7
152.99503	6.8
155.10579	0.8
165.12746	2.3
167.10666	0.9
167.14316	1.0
175.11179	0.9
181.12247	3.3
182.12825	0.7
183.13811	1.2
193.12206	1.7
195.13838	2.5
197.11728	0.9
199.13312	0.8
211.13373	3.6
221.15457	0.8
240.13600	1.5
247.20692	3.5
263.20062	0.9
269.07123	1.3
273.18570	2.7
281.21198	1.5
291.19647	28.7
292.20068	3.7
293.21133	0.8
309.10416	5.1
309.20703	100.0
310.21030	11.9
311.22229	6.8
312.22687	0.7
341.07785	3.2
347.22202	1.7
364.22418	0.7
391.21280	1.1
409.23279	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	409.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03307	0.4
58.34580	0.4
59.01250	100.0
60.01583	1.6
71.01245	2.2
71.10741	0.5
71.50892	0.8
72.99210	0.5
73.02827	1.5
85.02838	1.9
89.02334	0.7
92.14319	0.5
98.20086	0.5
98.38896	0.4
99.00796	0.5
101.02333	1.1
103.03906	0.8
109.02903	0.4
113.02335	1.2
131.04942	0.5
161.04536	0.6
161.05949	0.9
171.10197	0.8
187.13339	0.5
204.07872	6.1
205.08627	1.6
223.03157	0.5
307.17804	1.0
337.07135	0.5
349.18994	0.9
408.28235	0.5
410.15894	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	100.0
60.01577	1.6
61.98689	1.4
63.42400	1.1
71.01247	19.0
71.49982	1.9
72.99165	1.6
73.02809	1.7
75.00739	1.2
85.02808	5.4
87.00754	3.0
89.02312	28.5
92.17486	1.1
96.95885	2.6
99.00680	1.6
100.62128	1.2
101.02318	12.6
111.08041	2.0
113.02305	5.7
119.03393	11.3
125.02305	3.4
143.03400	2.5
149.04471	1.6
161.02402	1.4
161.04529	2.8
173.08112	1.3
179.05524	8.9
333.09680	1.5
409.11557	2.0
409.16388	2.4
409.20663	5.0
410.07193	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	409.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90985	0.9
58.00454	1.2
59.01248	100.0
69.22028	3.8
69.22460	4.8
71.01249	20.2
71.09824	0.9
72.99184	2.1
73.02811	1.7
75.00747	1.2
85.02824	3.8
87.00770	1.5
89.01489	1.1
89.02314	26.4
95.01289	1.0
96.95879	2.6
98.20601	2.1
101.02322	13.8
102.16636	1.0
113.02316	7.0
116.04978	1.2
119.03395	10.7
129.01843	1.1
129.67085	1.0
131.03352	1.7
143.03423	2.7
144.08189	1.0
149.04396	1.4
158.06084	1.3
159.06325	1.2
161.04437	7.2
177.55003	0.9
179.05510	10.0
187.13339	1.5
246.99658	0.8
271.08276	0.9
305.15976	6.9
349.11499	1.2
349.18643	9.7
350.19107	1.3
409.13184	1.4
409.20667	3.4
410.07602	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	75.3
66.87215	1.4
71.01250	19.5
71.49673	2.3
73.02811	4.8
75.97974	1.5
77.80174	1.6
83.01242	3.3
85.02824	12.5
87.00761	2.0
89.02314	15.1
95.01250	2.0
99.00734	1.5
101.02319	18.8
109.66914	1.5
111.00753	1.6
113.02339	10.7
119.03400	4.4
119.04944	1.7
128.03413	1.8
143.04465	2.5
153.71205	1.5
161.04489	3.1
229.14449	1.7
247.12003	1.9
333.63422	1.5
349.18726	8.0
391.19638	3.3
403.23236	1.4
409.20798	100.0
410.21011	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	409.1714
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01737	10.8
55.82778	4.5
57.03332	4.6
59.01247	68.3
68.34822	3.8
69.49819	16.1
69.50252	15.8
71.01250	100.0
71.07922	4.4
72.99155	7.7
73.02817	21.9
83.01259	18.0
85.02818	35.4
87.00764	9.3
88.11792	4.1
89.02316	64.8
95.01256	8.8
99.00729	9.9
101.01714	5.6
101.02329	79.9
113.02325	49.3
118.06510	21.9
119.03374	30.3
119.04922	4.6
125.02352	7.4
131.03386	22.0
143.03360	12.8
157.06467	19.3
157.89291	4.4
159.02890	10.2
161.04456	52.1
162.05490	8.9
179.05516	59.8
202.08595	39.8
221.06630	66.8
247.11748	5.9
263.07742	15.7
281.87625	5.0
402.45718	4.3
409.17114	51.0
410.17310	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	409.1141
Annotation	Aloenin
Peak:m/z	Relative Intensity
50.68512	2.8
55.96298	3.2
59.01246	31.8
60.25512	3.1
61.98703	7.2
62.41596	2.7
68.25680	2.9
71.01259	14.6
71.50464	2.5
71.50895	3.4
73.02823	3.3
78.95779	5.2
85.02821	6.9
89.02294	5.6
99.00747	3.1
101.02331	8.5
104.08936	2.5
113.02303	5.4
127.05412	6.0
127.94844	3.0
143.04858	5.1
152.99524	6.3
158.03615	5.8
159.02695	3.0
160.05157	10.4
165.05457	3.2
169.06464	3.2
171.04399	3.5
172.05228	4.9
173.05977	11.6
174.06789	4.2
184.05328	3.1
187.03903	4.5
187.07573	3.9
202.06265	3.7
203.07106	5.4
217.04987	6.5
229.04930	4.8
230.05717	8.9
232.03703	8.8
245.08224	2.8
247.06076	39.9
261.07669	5.6
274.04758	7.7
287.05698	6.1
289.07169	100.0
290.07507	9.8
301.06943	3.4
313.07101	6.8
409.11368	28.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.2756
Annotation	Malyngamide W
Peak:m/z	Relative Intensity
58.02831	2.2
59.01237	6.3
66.71185	1.8
67.29678	1.7
71.52198	2.6
74.02329	2.0
78.95778	12.7
84.04414	5.6
100.07552	6.3
101.57365	1.9
102.05486	79.0
128.03423	100.0
129.03667	2.5
136.05159	4.3
146.04521	13.0
149.05998	2.2
152.99483	13.7
153.99849	2.1
171.00557	2.2
189.17720	1.7
279.23264	56.6
280.23615	4.2
305.88440	1.9
335.95316	2.0
364.28543	14.6
390.26495	12.0
408.27512	92.8
409.27716	18.5
416.45367	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.0752
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	49.1
62.39323	5.2
66.07973	5.2
67.87911	4.8
71.01247	72.2
71.48582	5.5
72.99174	26.8
73.02784	12.3
75.00737	28.7
85.02821	23.3
87.00751	100.0
89.02309	37.1
95.01274	11.7
99.00760	20.3
101.02324	41.8
111.00745	9.2
113.02311	24.4
117.01804	14.2
123.00774	16.7
124.07937	5.6
129.01826	6.9
141.01839	39.3
159.02859	13.4
161.04471	6.7
173.05162	5.6
175.02499	5.7
175.83603	5.1
177.03949	12.4
179.05515	22.3
181.44072	5.4
252.55139	5.2
321.08270	29.5
339.09308	20.9
375.06906	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	408.1793
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01238	8.7
59.86765	3.6
61.98700	100.0
68.89583	3.6
71.01241	3.4
71.50425	4.4
75.00745	32.4
78.95789	5.4
88.83379	3.8
96.95895	3.9
102.12424	4.4
107.57005	3.4
111.00777	6.6
113.99475	10.6
121.02843	4.0
129.16869	3.3
133.52747	3.6
146.48595	4.4
152.99478	9.0
172.35950	4.4
178.09898	13.7
188.48903	3.7
192.34996	4.3
233.11591	4.2
295.15164	4.0
307.22662	7.9
308.23050	11.5
309.24316	7.6
318.21603	7.9
319.22781	21.9
328.20108	5.1
329.21118	8.1
346.21066	29.9
347.22226	38.1
409.22433	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	408.1298
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	0.7
57.03323	1.5
58.00455	1.2
59.01249	20.9
61.98756	0.5
62.22294	0.4
64.64054	0.4
70.83049	1.2
71.01251	24.3
72.01586	0.6
72.99180	23.2
73.02821	4.3
74.18541	0.4
75.00738	2.3
79.08837	0.4
83.01254	2.1
85.02821	16.9
87.00759	3.1
89.02319	13.0
95.01257	1.4
99.00747	1.8
101.02325	16.0
111.00758	1.5
113.02328	9.9
114.02683	0.5
116.04943	100.0
117.05295	4.4
119.03388	6.4
125.02299	0.8
128.04950	12.6
129.01871	0.8
129.05264	0.8
130.06522	11.9
130.07495	0.6
131.03436	1.4
131.06856	0.8
132.04436	2.5
140.04936	1.0
142.06473	0.5
143.03394	1.9
144.04437	2.7
146.06047	0.7
155.07256	0.7
156.04399	1.1
156.08099	6.9
157.05226	4.2
158.06018	84.0
159.02959	2.2
159.06342	4.4
161.04465	15.5
166.06535	2.0
170.06020	1.9
172.03938	6.4
173.04314	0.5
175.67253	0.4
179.05566	1.3
184.07590	14.3
185.07925	0.9
186.05496	1.2
192.19221	0.5
202.08792	0.5
205.03479	0.7
210.03703	0.9
210.05542	12.2
211.05818	0.7
221.06546	1.6
246.07697	5.9
291.07184	1.6
320.11389	2.6
364.13998	2.3
396.85941	0.5
408.12970	22.1
409.13071	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	407.2912
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02847	11.4
59.01263	0.8
67.02898	0.7
70.99628	0.9
71.01248	0.7
74.02360	1.8
78.95773	30.7
82.02872	1.4
83.06029	3.5
84.04422	4.3
96.96824	3.5
97.03938	1.0
98.02346	0.7
101.07075	7.7
107.02403	1.1
109.03956	7.4
118.37202	0.7
124.43059	0.6
125.03448	2.2
125.07109	2.6
127.05025	49.2
128.03426	11.4
128.05357	1.1
145.06087	46.2
146.06416	1.1
150.97923	1.1
152.99484	52.8
153.99832	0.7
171.00500	2.3
171.52736	0.6
231.80711	0.6
261.22250	1.0
264.29868	0.7
278.24905	2.6
279.23468	0.8
304.26291	0.8
345.29120	16.2
346.29395	1.7
363.30185	2.6
389.28149	7.0
407.29120	100.0
408.22198	0.7
408.23575	1.0
408.29404	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	407.22
Annotation	1-(9Z-hexadecenoyl)-glycero-3-phosphate
Peak:m/z	Relative Intensity
51.26080	0.2
58.03807	0.2
59.01245	0.4
71.30382	0.4
78.95769	52.7
80.84927	0.3
96.96835	7.1
150.97903	1.7
152.99481	100.0
153.99800	1.9
171.00539	4.1
253.21562	1.3
272.65540	0.2
345.42993	0.3
366.95490	0.3
402.05240	0.2
407.16995	0.4
407.22052	5.6
408.22314	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2204
Annotation	Unknow
Peak:m/z	Relative Intensity
70.26695	0.4
70.40217	1.4
70.40591	0.6
78.95776	64.0
94.47611	0.4
96.96843	7.1
131.11133	0.4
150.97937	1.9
152.99489	100.0
153.99812	2.2
171.00537	4.4
241.79555	0.5
253.21761	2.0
281.54330	0.5
285.61322	0.5
380.62198	0.6
407.21927	8.2
408.22385	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.22
Annotation	1-(9Z-hexadecenoyl)-glycero-3-phosphate
Peak:m/z	Relative Intensity
59.01234	0.6
62.96255	0.4
64.66029	0.3
69.86132	1.5
78.79102	0.3
78.95770	100.0
85.02880	0.3
96.95894	0.4
96.96835	9.1
150.97949	1.7
152.99484	85.2
153.99849	1.1
171.00546	65.0
172.00893	1.4
283.26389	0.3
283.41919	0.3
309.20639	0.5
371.25894	0.3
407.22021	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76188	0.8
56.32253	0.9
57.03318	6.0
59.01252	4.7
59.46919	0.8
66.56822	0.9
69.03311	1.2
70.96660	1.0
71.01272	0.9
71.04868	2.7
71.31142	2.0
72.99182	9.4
75.00745	57.8
83.04903	1.5
88.42941	0.9
95.04910	1.5
97.02815	1.5
97.06469	1.1
99.00761	1.6
106.04072	1.0
107.04903	1.3
108.02000	1.1
109.02854	1.0
109.06487	5.1
111.08041	2.2
112.98685	17.9
113.99472	70.2
115.00300	11.5
121.02834	2.2
121.06473	2.1
123.08028	0.9
125.09603	4.6
127.07524	1.9
128.51971	0.8
135.04269	1.0
137.02328	1.2
139.11153	1.2
149.05988	1.2
149.09555	1.0
151.03900	1.5
151.11215	1.4
161.05945	2.6
163.03900	2.0
165.12697	1.8
171.10107	1.7
175.07562	1.4
175.11188	0.9
177.05536	1.1
177.12750	2.5
179.14287	4.0
181.12239	0.9
185.11697	2.4
185.38873	0.9
191.14394	4.8
193.12212	3.3
195.13812	1.2
197.11717	1.7
201.21135	0.9
207.13823	13.6
208.14278	1.1
209.15372	2.5
217.12263	3.0
221.11807	1.2
223.13293	1.2
231.10164	1.4
231.13625	0.9
235.13350	19.4
237.11310	14.7
237.14915	2.2
238.11475	1.3
239.12772	1.1
251.12958	1.3
253.14413	13.5
259.13281	1.7
273.22226	1.1
276.13541	1.6
277.14450	4.2
283.20682	1.5
289.21814	3.1
291.23398	1.1
293.21234	12.4
294.21674	1.0
299.20276	0.9
301.21692	7.8
302.21906	1.1
305.21252	17.0
306.21567	2.0
307.22775	55.0
308.22879	5.0
315.19547	1.9
317.21152	13.3
318.21335	1.2
319.22757	46.5
320.23151	4.7
325.19809	1.0
327.19653	12.1
328.20068	1.3
331.19095	3.6
333.20743	6.8
335.22086	5.4
345.20676	100.0
346.21051	12.4
349.20190	17.1
350.20273	2.1
363.21762	14.9
364.21878	2.2
371.18484	1.2
377.23233	1.7
379.21262	1.1
389.18933	4.7
389.23386	3.6
407.20306	28.5
408.20911	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	407.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	57.4
61.98705	6.7
71.01250	65.3
71.49642	1.6
71.50024	1.2
72.01604	1.0
72.36082	0.9
72.99171	3.1
78.95764	1.3
96.95893	1.1
97.06426	1.0
99.00777	2.5
107.53387	1.0
110.48811	1.0
114.38635	1.0
115.00253	100.0
116.00568	1.8
136.11203	1.1
137.02325	1.6
148.27322	1.2
151.03786	1.2
180.51721	1.0
197.16498	1.1
211.13213	1.1
224.06834	3.4
237.14960	3.2
245.57378	1.2
247.20731	1.2
265.14438	1.4
267.16013	1.8
276.13626	1.1
282.14731	1.0
291.19641	9.7
294.14746	4.0
301.21683	2.0
307.19104	2.3
309.20688	12.4
319.22794	7.6
327.19519	1.5
345.20770	7.4
363.21851	11.5
364.22040	1.5
389.26831	1.9
407.20697	20.0
408.21158	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	407.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21738	0.7
57.03328	1.9
59.01244	3.6
61.98693	1.4
63.20610	0.7
67.10621	0.7
69.03339	1.0
70.82539	1.5
70.82892	1.1
71.01255	1.9
71.04866	1.9
72.99182	4.0
75.00742	68.5
76.01076	0.8
83.01260	4.5
83.04914	1.1
84.02036	3.6
84.50790	0.8
93.03304	1.3
93.08746	0.9
94.80111	0.7
95.04904	0.8
96.96848	1.1
97.06470	1.2
101.09602	0.7
103.05415	1.4
108.02003	0.9
109.02814	1.0
109.06457	1.9
111.00757	21.5
112.98702	2.6
113.99478	7.6
115.00262	1.0
115.91969	0.9
121.02839	11.9
121.06450	1.0
123.04392	2.2
123.08010	1.6
125.09626	1.6
134.03557	0.8
135.04366	1.4
135.08102	1.3
137.02344	2.0
145.02853	0.9
147.04413	10.0
148.05171	1.9
148.08795	1.0
149.09534	1.2
151.03906	1.5
151.11134	3.1
153.09125	1.8
159.04341	0.9
161.06001	9.9
163.11171	1.1
165.09123	1.1
165.12753	4.1
173.06111	1.0
174.06776	1.9
175.07539	2.7
176.08342	21.5
177.12746	1.4
178.09917	7.8
179.14301	0.9
180.07832	12.4
187.07542	0.8
188.88211	0.8
189.09210	0.9
191.10742	1.9
191.14349	0.8
193.12207	0.8
201.09181	1.8
202.09860	2.2
207.13831	1.3
217.12294	1.0
219.17474	0.9
230.12976	2.4
235.13345	2.9
237.11345	1.8
237.14865	1.9
248.14178	1.0
273.22238	3.9
274.22400	0.8
276.13651	15.2
277.14020	2.1
278.15128	2.0
283.20621	1.9
287.05655	0.8
287.20120	1.6
291.23117	1.0
293.21143	2.3
294.14658	7.7
299.20123	2.9
301.21722	12.0
302.22089	1.8
305.21130	4.9
307.22754	22.8
308.23038	2.5
309.18619	1.9
315.19531	1.8
317.21191	51.6
318.21503	5.1
319.22723	11.3
320.23318	0.9
327.19623	23.2
328.19910	1.4
331.19049	8.1
333.20657	1.0
335.22183	2.6
345.20654	100.0
346.21036	13.1
349.20065	2.1
363.21750	8.6
364.21988	1.0
371.18570	1.6
407.20493	10.8
408.20947	2.0
408.68396	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1923
Annotation	Daumone 4
Peak:m/z	Relative Intensity
57.03334	2.9
58.00466	3.6
59.01248	100.0
60.01600	1.2
69.03321	1.6
70.99335	2.6
71.01247	35.0
72.99174	4.3
73.02816	20.7
75.00759	1.9
83.01263	2.9
85.02830	12.7
85.99973	1.8
87.00747	6.3
87.04400	3.3
89.02316	30.5
95.01210	1.2
97.06412	1.2
101.02318	42.2
103.03893	12.7
111.08028	1.4
113.02323	10.4
115.03899	3.2
119.03387	12.8
125.02368	2.8
127.03962	1.4
127.11171	2.3
131.03397	7.5
143.03401	9.7
145.04930	4.5
161.04411	2.6
163.06018	26.5
165.12769	8.1
171.10170	86.0
172.10503	3.3
179.05507	4.1
183.13817	9.8
189.74402	1.2
201.14905	3.9
205.07088	20.1
205.58183	1.3
209.11726	6.7
219.53917	1.5
227.12840	29.0
228.13278	2.9
245.13913	89.8
246.14250	6.5
247.61928	1.2
253.09315	11.8
265.09235	1.3
287.15067	1.3
367.52972	1.3
407.19113	15.5
407.26248	18.4
408.19254	2.6
408.26620	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1095
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03337	1.1
59.00955	1.4
59.01249	20.5
64.87346	0.8
65.99738	2.0
69.19796	1.4
69.20187	7.7
71.01247	3.5
73.02818	2.1
82.02854	10.2
85.02806	3.2
87.00738	1.1
89.02316	2.9
96.01833	0.9
101.02301	2.6
113.02301	1.6
119.03286	0.8
122.05972	1.2
132.04436	1.5
135.98201	1.7
146.05952	1.2
148.07558	1.1
159.08058	0.9
160.07576	3.4
161.04564	1.9
162.04196	1.7
162.05428	1.5
164.03479	6.7
171.10220	5.3
172.07643	1.3
174.02037	1.1
174.05515	2.9
174.09058	0.9
181.03226	1.1
183.10323	1.0
186.05487	2.2
188.07092	2.6
189.02893	1.3
189.06578	1.6
191.04460	2.2
194.04388	0.9
199.04880	1.5
200.07149	1.6
202.08679	3.2
209.66707	1.0
214.05069	1.4
215.04628	3.2
215.08192	1.8
216.05336	6.2
216.10275	2.0
217.02600	5.3
217.06128	8.2
218.06641	1.7
227.12871	1.5
228.06767	2.2
229.06023	9.2
230.03322	2.3
230.06891	3.0
231.07703	14.0
232.08421	4.0
241.06096	3.6
242.03409	4.4
243.04076	23.8
243.07796	3.5
244.04803	9.6
244.09781	12.6
245.09302	8.0
245.13846	1.0
248.09241	2.8
249.05157	1.9
254.06999	1.3
256.04858	5.6
257.05658	14.4
257.09439	2.0
258.06393	6.4
259.07220	37.4
259.10834	6.6
260.07324	2.0
269.09299	2.1
270.07162	1.0
271.07208	22.2
272.07761	2.1
285.05328	1.2
285.08838	4.8
287.10358	73.6
288.08646	5.0
288.10901	4.0
289.08652	1.3
291.09888	9.5
297.05258	1.0
302.05551	1.4
313.08282	100.0
314.08643	10.0
317.07880	2.1
331.09348	58.3
332.09671	6.3
335.08755	1.6
345.10938	8.4
347.17023	2.0
357.07327	2.8
365.18033	1.9
375.08319	22.9
376.08609	2.8
389.09573	4.3
407.10938	59.9
407.18802	8.3
407.26324	1.9
408.11221	7.5
408.19357	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	406.9687
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	4.4
57.36855	0.9
67.01778	2.2
71.49101	1.0
71.49468	1.7
74.77509	0.9
85.02825	22.7
87.00742	31.4
88.01096	1.3
96.95882	29.2
107.24179	1.0
111.00761	100.0
112.01095	4.3
113.00541	1.5
125.00787	1.0
127.00591	2.2
128.98526	3.6
129.01807	4.4
139.90794	1.1
145.19724	0.9
152.91667	1.9
159.42378	1.1
170.99532	1.8
173.00821	4.0
176.98532	6.0
191.01889	73.4
192.02248	3.8
193.02359	1.9
198.97896	1.1
198.99300	1.5
268.32562	1.3
279.15643	1.0
367.47684	1.2
386.35333	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1092
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03305	1.4
59.00961	2.1
59.01250	36.7
65.99714	1.5
67.03688	1.2
71.01241	6.9
71.50321	1.9
72.99197	1.9
73.02804	2.0
73.25961	1.2
74.59851	1.1
74.98967	1.5
78.51772	1.1
82.02855	10.3
83.01225	1.2
85.02821	6.8
87.00734	2.1
89.02316	5.9
90.01817	1.2
101.02317	5.0
106.26907	1.2
113.02344	2.2
116.04950	1.2
119.03363	2.0
136.03809	1.2
142.31084	1.0
158.06027	6.1
160.07579	1.3
161.04501	2.4
162.04221	1.3
164.03479	6.8
171.10158	3.2
172.10742	1.7
174.05530	2.2
176.60840	1.3
182.04361	1.4
186.05589	2.6
188.07060	3.3
191.04544	2.1
200.07091	1.6
202.08685	4.1
215.04443	1.8
215.08205	1.8
216.05261	4.4
216.06868	2.5
216.10225	1.7
217.02466	3.9
217.06093	7.5
218.06918	1.7
227.08235	1.8
229.06105	7.6
230.03207	2.2
230.06834	3.0
231.07726	11.0
232.08383	4.8
233.02431	1.2
241.06094	2.9
242.03313	4.3
243.04053	19.9
243.07761	4.0
244.04724	9.5
244.09914	9.3
245.09338	4.9
248.09227	3.1
256.04816	4.9
257.05627	15.5
258.06421	6.7
259.07211	43.6
259.10794	4.8
260.07559	3.4
269.09238	3.5
270.07242	1.2
271.07224	23.6
272.07764	1.9
285.05203	2.3
285.08762	4.8
287.10364	76.6
288.08502	4.7
288.10797	4.6
291.06735	1.9
291.09836	12.7
297.05099	1.6
313.08279	100.0
314.08597	10.2
317.07654	2.1
319.13062	2.3
331.09338	54.0
332.09659	7.1
335.08716	2.4
345.10873	9.2
345.36783	1.3
347.16934	2.8
357.07059	2.7
375.08255	22.4
376.08698	2.0
389.09869	4.9
407.10913	61.7
407.18875	7.1
408.11380	7.9
408.19589	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	406.2593
Annotation	Blacknidine
Peak:m/z	Relative Intensity
58.02839	2.8
59.01257	4.6
67.92302	0.6
70.82097	1.2
70.82436	0.7
74.02335	2.1
82.02874	1.6
84.04415	6.3
85.02826	0.7
100.03933	1.2
100.07558	5.3
102.05482	84.1
103.05819	1.9
111.71912	0.6
112.69906	0.6
128.03421	100.0
129.03754	2.5
130.35704	0.6
136.68018	0.7
146.04488	10.6
148.83815	0.6
152.99464	1.8
204.33604	0.6
212.24298	0.6
244.38312	0.6
249.52417	0.7
277.21710	48.5
278.22141	4.5
325.23959	3.2
326.25601	0.8
347.22119	5.1
362.27020	16.4
363.27289	1.6
388.24939	14.2
389.25351	2.5
406.26041	96.0
407.17868	0.9
407.26343	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	406.18
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01750	4.4
56.02106	1.2
57.03319	22.1
58.03666	4.8
59.01240	9.1
61.98691	0.8
65.97529	0.7
67.01763	1.5
68.99686	1.3
71.01251	9.4
72.01590	1.3
72.99181	2.4
73.02818	2.3
75.00739	1.7
81.21387	0.7
83.01256	11.5
84.01586	2.2
84.02048	2.3
85.02819	100.0
86.03152	30.5
87.00766	1.2
91.01765	2.4
92.02109	0.9
99.00744	2.3
101.02316	6.5
102.02677	1.8
108.02063	3.3
111.00755	28.3
112.01100	11.1
113.02287	1.0
129.01828	53.6
130.02170	17.8
131.02303	1.7
135.00780	2.2
137.02324	1.1
137.05370	0.7
152.01059	3.0
153.01393	2.0
161.04451	2.8
162.04787	1.8
171.10147	1.6
172.61963	0.8
187.02307	1.2
199.13301	4.4
200.13680	5.0
205.03461	29.6
206.03806	20.5
207.03918	2.0
223.04527	10.0
224.04892	6.6
225.05020	1.2
243.06595	7.4
244.06931	18.2
245.07079	1.6
364.70901	0.9
406.12286	2.1
406.17953	3.8
406.25735	1.2
407.17743	0.8
407.22552	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	406.1797
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	3.4
56.64001	1.7
57.03322	19.6
58.03640	3.2
59.01245	20.2
61.98696	4.4
63.34504	1.6
71.01249	9.1
71.50801	3.5
72.01588	2.5
72.44209	1.5
72.99175	3.2
73.02819	12.5
74.03159	1.9
75.00747	4.5
83.01273	11.2
83.01713	2.2
84.01588	3.5
84.02058	3.1
85.02819	100.0
86.03152	31.8
87.00742	2.6
89.02304	3.1
93.03324	2.1
99.00755	3.1
101.02312	8.7
111.00764	26.2
112.01120	10.4
129.01830	48.2
130.02156	21.0
161.04462	4.2
171.10196	4.0
180.07422	2.0
197.74893	1.9
199.13342	5.2
200.13640	5.2
205.03468	30.7
206.03775	18.2
223.04532	10.0
224.04852	6.5
254.18443	2.7
346.23337	2.0
406.18060	6.9
406.25241	24.4
407.13312	4.0
407.19125	6.4
407.25531	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	406.1636
Annotation	Unknow
Peak:m/z	Relative Intensity
55.02521	4.3
56.95229	4.7
59.01252	25.3
61.98701	100.0
70.10856	16.0
75.00755	11.6
78.95771	4.8
96.95886	5.0
96.96854	6.8
101.06496	4.2
104.02717	4.5
114.05482	21.7
133.94005	4.8
154.72554	4.6
227.80916	4.7
270.72272	4.7
298.07190	6.4
309.20663	14.4
338.10553	23.0
362.26767	4.4
406.16467	4.4
406.26678	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	405.2644
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	21.7
61.98710	7.4
64.35733	3.6
71.01241	4.4
75.20810	3.4
76.70872	3.3
95.04932	3.3
113.05969	43.6
145.01312	3.3
165.12770	5.1
192.14104	3.3
247.20648	3.9
277.21689	6.5
281.99359	3.4
291.19672	54.3
292.20148	5.0
309.20667	100.0
310.20987	7.6
343.26379	11.8
387.25436	26.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2756
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02595	0.8
58.02846	8.0
59.01245	2.6
61.98689	3.9
64.21991	0.7
67.02871	0.7
69.80433	0.6
70.02835	0.6
71.01279	0.7
71.05544	1.1
71.67987	0.6
72.04376	0.6
72.99178	0.5
74.02337	1.7
78.95776	6.7
82.02861	1.4
83.06033	2.3
84.04412	4.2
96.96802	0.7
97.03958	0.9
101.07076	5.2
107.02393	0.8
109.03940	7.0
125.03457	1.6
125.07087	3.3
127.05020	43.8
128.03426	9.4
128.05386	0.8
137.07185	0.8
145.06081	38.5
146.06424	0.9
152.99490	11.0
183.06960	0.6
277.16809	0.6
322.27808	0.7
325.25391	1.2
341.24832	0.7
343.27435	9.5
344.28033	0.9
359.25949	1.1
361.28528	2.2
369.24246	1.1
387.26202	8.6
388.26575	0.8
405.27261	100.0
406.27652	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	405.2644
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03324	0.8
59.01244	4.5
61.98698	1.8
79.51211	0.7
83.04869	1.8
85.02790	0.6
88.98699	1.0
97.06467	1.0
97.59961	0.6
101.02258	0.8
104.13335	0.7
111.08036	0.9
126.70243	0.7
167.63660	0.6
173.57454	0.7
193.92258	0.8
202.77791	0.7
203.14363	1.0
207.51871	0.7
209.00368	0.7
211.13228	1.3
213.14833	2.6
231.17455	0.9
239.16507	2.5
241.18021	1.8
244.67215	0.7
247.13455	0.8
247.16916	1.0
261.18481	0.7
265.18011	0.8
265.54669	0.6
267.19650	0.7
313.25473	1.0
315.19379	1.0
315.26840	1.5
325.25247	3.6
326.25662	0.8
333.27817	0.8
341.24841	2.2
343.26349	3.9
351.23471	0.7
359.26019	3.5
361.27429	2.2
369.24435	4.4
372.06900	0.7
377.26758	1.4
387.25323	11.6
388.25775	1.9
394.74500	0.8
405.26425	100.0
406.26733	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	405.2642
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	4.6
61.98696	1.3
62.57432	0.5
62.64425	0.5
69.03353	0.6
71.01254	1.2
71.42779	1.1
74.66585	0.6
81.03328	0.7
83.04886	1.3
95.04926	0.6
96.95897	1.1
97.06388	0.8
97.99686	0.6
106.04073	0.6
107.04904	1.0
109.06455	0.7
111.08036	0.8
131.25665	0.5
133.39954	0.8
135.07980	1.0
137.09630	1.0
146.67326	0.7
181.12190	1.0
190.89088	0.9
199.67851	0.6
207.13789	0.8
211.13359	0.8
213.14745	1.0
222.34743	0.6
231.17439	1.4
239.16461	2.6
241.18047	1.7
245.19037	1.1
247.13467	0.8
261.11069	2.2
275.16614	1.0
287.23581	0.7
291.19498	1.6
299.23856	0.8
313.18066	1.3
313.25504	0.9
315.26971	2.5
317.28653	0.8
323.22131	2.9
324.22726	0.7
325.25308	4.9
330.18024	3.5
333.28186	1.5
341.24625	1.8
343.22845	0.8
343.26465	4.1
345.20444	6.1
346.20929	1.0
351.23315	1.4
359.25806	2.9
361.27286	3.9
369.24261	4.9
377.27121	1.4
387.25421	13.3
388.25296	1.4
405.26440	100.0
406.26846	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	405.2642
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	0.8
64.58051	0.5
69.03342	0.6
70.98666	0.7
70.98992	1.3
71.01242	0.9
75.07619	0.6
81.78881	0.6
83.04899	1.0
97.06448	0.9
107.53370	0.7
109.06479	1.0
111.08031	0.7
127.05041	1.0
135.07959	0.8
137.09564	0.8
145.06094	0.6
159.07936	0.6
211.13394	0.9
213.14908	1.5
221.15302	0.7
221.25446	0.6
231.17520	1.6
239.16496	2.0
241.18166	1.3
247.13341	2.2
315.26932	1.9
325.25327	6.2
326.25623	0.7
333.28058	1.3
341.24673	1.9
343.22250	0.7
343.26260	3.6
351.23306	1.0
359.25897	3.3
361.27493	2.1
369.24341	5.0
370.24500	0.7
377.26929	1.9
387.25369	10.2
388.25629	1.7
405.26422	100.0
406.26761	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	405.2643
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03299	0.9
59.01247	2.6
70.18606	1.7
70.19001	1.3
71.01257	0.8
71.29230	0.7
78.95767	1.2
81.42953	0.7
82.19154	0.7
89.14252	0.7
97.06507	0.8
110.16917	0.8
111.08091	0.7
127.04993	2.1
145.06122	1.5
152.99538	1.1
196.50435	0.8
203.06972	0.7
231.17445	0.9
239.16383	1.8
265.18228	0.7
267.19513	0.9
299.23935	0.9
313.25552	0.9
315.26865	1.9
317.28281	0.8
325.25180	3.6
333.27997	1.4
341.24954	1.8
343.26382	4.7
359.25766	2.7
361.27457	4.1
369.24460	4.5
370.24783	1.0
387.25461	9.3
388.25821	1.4
399.33649	0.8
405.26440	100.0
406.26736	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	405.2129
Annotation	Staphylionoside J
Peak:m/z	Relative Intensity
55.01743	2.0
57.03324	6.1
58.00469	1.2
59.01249	31.3
61.98702	3.9
63.91971	0.5
67.01774	0.7
71.01252	26.3
72.99184	3.1
73.02827	5.3
83.01253	5.5
84.02050	1.1
85.02820	34.2
85.06460	4.2
86.03135	1.1
87.00754	1.6
89.02322	13.8
95.01247	1.9
97.06503	0.8
99.00748	4.5
101.02315	15.2
102.02589	0.7
104.72051	0.6
106.50249	0.6
111.00757	7.6
113.02335	7.2
119.03384	4.5
129.01823	11.9
143.03365	1.0
155.14301	5.7
161.04457	2.1
181.05101	0.7
181.15935	4.0
187.02377	0.7
199.13319	16.7
200.13673	0.9
201.14883	2.7
205.03455	8.2
213.09264	0.7
223.04523	2.0
225.14899	6.8
226.15388	0.7
243.15933	0.7
345.19083	2.4
345.22833	0.9
363.20224	3.2
365.00824	0.6
405.21228	100.0
406.21671	11.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.213
Annotation	Breyniaionoside C
Peak:m/z	Relative Intensity
55.01756	0.9
57.03327	1.2
58.00459	2.9
59.01249	57.8
60.01589	0.6
61.98691	2.5
70.47005	1.3
71.01252	57.6
71.04888	0.5
72.01599	0.8
72.99179	2.8
73.02822	2.0
75.00760	0.5
78.95762	2.1
83.01258	2.5
85.02824	11.6
87.00764	1.2
89.02315	30.9
89.83593	0.4
90.02660	0.7
95.01248	2.1
96.96816	0.7
99.00787	1.4
101.02317	22.9
104.36581	0.3
104.90369	0.3
108.02082	0.5
111.00782	1.0
113.02330	12.3
119.03387	13.6
120.99507	1.0
122.27378	0.4
125.02370	0.7
127.11147	2.1
129.01826	1.6
131.03442	1.0
139.11179	1.0
143.03415	1.9
149.04419	0.7
153.12753	3.3
161.04492	1.7
165.20001	0.4
179.05545	3.6
181.12267	1.1
181.15874	0.5
199.13329	6.8
201.14990	0.4
205.03532	0.7
207.13719	1.0
225.11249	0.4
225.14920	2.2
243.12390	0.9
243.15979	0.7
321.43591	0.5
345.18845	0.5
363.20193	1.1
387.20355	2.1
405.21255	100.0
406.21585	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	405.2127
Annotation	Staphylionoside J
Peak:m/z	Relative Intensity
55.01757	1.6
57.03313	2.6
58.00471	1.0
59.01251	31.1
61.98698	9.9
65.51129	0.7
66.48747	0.7
69.46870	1.9
69.47290	3.4
71.01253	24.8
72.99183	2.2
73.02833	4.0
78.95795	0.9
79.95616	2.0
83.01254	3.3
85.02821	10.6
85.06469	2.8
87.00732	1.9
89.02318	11.8
95.01266	2.1
96.95902	3.9
99.00780	4.1
101.02325	15.3
111.00748	0.7
111.04417	0.9
113.02341	6.5
113.09594	1.1
114.05452	1.7
119.03395	4.1
120.99516	1.2
129.01839	1.3
155.14333	6.1
161.04466	1.7
181.15869	2.4
199.13347	17.6
200.13554	0.7
220.64838	0.8
225.14832	4.9
243.15915	1.3
387.20230	1.1
405.21283	100.0
406.21613	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	405.2129
Annotation	Breyniaionoside C
Peak:m/z	Relative Intensity
55.01756	1.1
56.14270	0.9
56.73751	0.7
57.03321	14.9
58.00467	4.5
58.02854	0.9
59.01251	100.0
69.03322	1.0
70.66711	2.8
71.01254	73.1
72.01607	1.6
72.99191	5.3
73.02818	3.1
74.02349	2.6
75.48550	0.9
83.01259	2.7
83.04904	1.3
85.02824	13.4
87.00747	4.4
89.02316	82.6
90.02647	1.3
95.01269	4.0
95.48151	0.8
99.00768	1.8
99.05507	1.4
101.02318	34.5
101.83041	0.8
112.05192	2.4
113.02329	28.6
119.03392	30.6
120.03753	1.5
125.02352	1.3
125.09602	1.3
128.03442	4.3
129.03773	1.5
131.03397	3.7
134.07228	4.4
137.09604	4.0
139.11200	0.8
143.03384	4.4
143.04504	5.0
144.04851	2.1
149.04454	2.2
149.09618	39.0
150.09990	2.3
159.02943	1.2
161.04509	5.7
167.10690	73.1
168.11089	4.4
176.03458	1.3
179.04370	0.9
179.05540	11.2
179.61644	1.0
181.12265	3.2
195.06709	1.0
199.13315	3.7
207.13873	1.8
208.84961	0.8
225.11407	1.3
225.14888	7.5
243.12335	4.0
243.15977	4.0
254.07799	1.1
272.08875	1.7
273.08939	1.1
299.10300	2.7
306.07504	2.0
307.07849	4.0
343.09296	1.3
353.15390	0.9
373.10345	1.1
405.12543	1.8
405.16519	5.2
405.21719	9.5
419.88608	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15948	1.4
57.03320	17.2
57.14837	1.4
58.00451	2.5
59.01247	100.0
59.13281	1.5
61.98714	1.5
69.61200	7.7
71.01251	72.0
72.01573	1.5
72.99187	5.2
73.02809	2.7
77.40656	1.3
78.64674	1.4
83.01258	2.8
85.02811	12.8
87.00744	5.5
89.02314	89.5
90.03689	1.4
95.01271	5.0
98.07970	1.4
98.19852	1.9
99.00740	1.8
100.53313	1.3
101.02316	35.7
103.12284	1.2
112.05144	2.1
113.02331	25.1
119.03378	36.6
125.09590	2.7
128.03413	3.1
131.03381	2.8
134.07291	3.5
137.09637	2.4
143.03375	7.5
143.04526	5.5
149.04453	2.3
149.09622	36.9
150.09985	2.2
161.04446	8.4
167.10678	72.5
168.10970	4.1
172.09375	1.4
179.05536	11.0
181.12222	2.6
199.13391	2.8
207.13869	1.9
225.14946	8.4
243.12306	3.8
243.15994	5.1
273.09195	1.7
299.10367	3.7
306.07544	3.4
307.07993	5.0
405.12515	1.8
405.17041	4.7
405.21667	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	405.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	3.8
57.03055	1.2
57.03319	18.0
59.01245	5.7
61.98693	2.8
67.01750	1.5
68.99683	1.1
69.14505	1.7
69.14911	6.7
71.01254	7.5
72.99185	2.0
73.02820	2.6
73.49154	0.8
75.00734	2.3
83.01250	9.6
84.02031	2.2
85.02817	100.0
86.03143	2.3
87.00751	1.2
90.78676	0.6
95.01337	0.9
98.19771	1.6
99.00770	1.1
101.02312	6.7
111.00757	31.4
112.01057	1.4
120.01123	1.6
129.01817	47.0
130.02135	2.2
139.33473	0.7
143.03377	1.0
155.49742	0.9
161.04442	5.0
171.10245	0.9
171.50047	0.7
185.11667	0.7
187.02443	1.5
197.11787	2.1
198.12077	1.4
199.13403	5.9
205.03458	33.4
206.03773	1.4
223.04543	11.3
243.16066	1.1
264.33313	0.8
285.13513	1.0
286.13602	0.9
287.14026	2.2
309.12384	0.9
345.22745	1.8
405.17606	2.5
405.25204	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	405.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26766	1.1
55.01756	3.1
56.89147	1.0
57.03325	16.5
59.01257	9.5
61.98701	3.0
67.01749	2.0
68.99680	1.3
71.01256	7.9
71.51040	1.4
72.99197	1.1
73.02804	2.5
75.00758	1.9
83.01257	7.4
84.02038	3.0
85.02822	100.0
86.03174	2.2
99.00759	3.1
101.02353	7.0
108.02043	1.5
110.99989	1.8
111.00757	28.7
112.01051	1.4
129.01825	51.1
130.02216	1.2
150.03053	1.5
161.04498	3.5
166.02577	1.1
187.02393	1.6
191.03365	2.2
199.13341	7.4
205.03468	33.3
206.05663	2.0
207.10213	1.4
209.04716	1.2
221.08131	5.3
223.04550	9.7
225.11230	3.7
243.12404	9.7
346.26047	1.3
405.17349	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	405.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	3.8
57.03055	1.2
57.03319	18.0
59.01245	5.7
61.98693	2.8
67.01750	1.5
68.99683	1.1
69.14505	1.7
69.14911	6.7
71.01254	7.5
72.99185	2.0
73.02820	2.6
73.49154	0.8
75.00734	2.3
83.01250	9.6
84.02031	2.2
85.02817	100.0
86.03143	2.3
87.00751	1.2
90.78676	0.6
95.01337	0.9
98.19771	1.6
99.00770	1.1
101.02312	6.7
111.00757	31.4
112.01057	1.4
120.01123	1.6
129.01817	47.0
130.02135	2.2
139.33473	0.7
143.03377	1.0
155.49742	0.9
161.04442	5.0
171.10245	0.9
171.50047	0.7
185.11667	0.7
187.02443	1.5
197.11787	2.1
198.12077	1.4
199.13403	5.9
205.03458	33.4
206.03773	1.4
223.04543	11.3
243.16066	1.1
264.33313	0.8
285.13513	1.0
286.13602	0.9
287.14026	2.2
309.12384	0.9
345.22745	1.8
405.17606	2.5
405.25204	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	405.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54963	2.6
57.03327	18.5
59.01002	3.8
59.01251	46.2
61.65578	3.0
61.98687	8.1
69.03321	3.4
70.37304	9.2
71.01254	23.4
72.99167	6.2
73.02824	5.6
75.00744	7.7
80.08667	3.2
83.01261	10.0
83.04865	4.4
84.02052	3.4
85.02819	100.0
86.03136	3.8
87.00728	8.2
89.02305	7.3
97.02817	6.3
99.00752	9.6
101.02308	8.6
111.00750	23.2
113.02328	4.4
115.00331	3.8
129.01825	54.5
135.00775	4.2
137.02328	10.2
139.11125	4.7
151.37701	2.8
153.01857	4.6
161.04469	12.3
163.11185	6.8
164.07051	5.5
171.10133	5.1
175.02405	3.9
179.05482	8.7
181.12238	38.4
182.12506	4.4
183.10176	31.9
197.11723	8.7
198.11967	4.5
199.13371	83.3
200.13626	7.0
205.03494	28.2
207.10210	11.9
210.12567	2.9
223.04509	10.2
225.11293	45.8
243.06659	8.1
243.12332	79.7
244.12669	6.3
285.13452	6.8
286.13812	4.2
287.13940	13.7
309.12268	7.3
317.01459	3.9
327.13412	4.4
341.58768	3.8
345.14175	3.3
363.19174	9.0
373.25763	3.5
376.18643	5.4
405.16980	53.2
405.24789	36.0
406.19443	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	405.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01764	2.0
57.03317	16.0
58.08921	1.1
59.01245	8.7
59.02839	1.3
61.98702	4.3
62.86165	1.3
63.68675	1.6
67.01760	2.1
71.01261	6.4
72.99164	1.6
73.02804	2.4
75.00745	2.6
83.01257	7.4
84.02042	3.8
85.02823	100.0
101.02320	5.7
108.02069	2.0
111.00765	30.0
129.01822	52.0
135.00781	2.0
141.86676	2.6
141.97507	1.2
151.03871	1.5
152.01079	1.8
153.12752	2.5
161.04469	3.9
187.02516	1.3
192.01801	1.4
199.13394	6.5
205.03485	36.6
209.04372	1.5
223.04503	14.4
229.37360	2.0
243.06610	12.7
405.17404	3.1
414.77682	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	405.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	4.0
57.03320	18.3
58.38022	0.5
59.01252	2.9
67.01761	1.2
68.99706	0.5
69.42918	3.1
71.01250	7.0
72.99179	1.2
73.02817	1.9
75.00735	1.8
83.01256	8.3
84.02045	2.4
85.02821	100.0
86.03131	2.6
91.01749	2.5
99.00805	0.5
101.02319	4.9
103.03893	0.8
108.02048	2.9
109.02874	0.5
111.00761	31.7
112.01069	0.8
123.00761	1.3
128.01016	0.6
129.01826	51.8
130.02182	1.6
135.00783	2.4
143.03368	0.7
147.02919	0.7
152.01053	3.2
161.04449	3.7
165.98790	0.5
172.12714	0.5
173.00887	0.5
186.30598	0.5
187.02368	1.7
199.13350	6.5
200.13579	0.6
205.03465	38.4
206.03864	1.9
213.05513	0.8
223.04518	12.5
223.06555	0.9
224.04907	0.7
243.06580	21.0
243.15831	0.6
244.06953	1.7
245.94066	0.6
387.16342	0.5
405.11688	1.2
405.17413	2.4
405.25137	1.2
428.29767	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01761	4.9
57.03322	22.4
59.01238	3.0
67.01757	0.8
68.87368	0.8
68.99697	1.1
71.01241	6.9
71.04873	1.0
71.05209	1.6
72.99174	1.7
73.02805	3.3
75.00739	1.6
78.39693	0.8
83.01254	10.3
84.02038	3.1
84.67093	0.6
85.02821	100.0
86.03151	3.1
101.02333	5.0
103.03924	0.8
108.30589	0.7
111.00764	29.3
112.01096	0.9
129.01830	46.3
130.02159	1.3
130.29099	0.8
161.04453	2.6
187.02373	2.2
199.13318	6.3
205.03476	32.1
206.03781	0.9
223.04544	10.6
235.96881	0.7
243.54578	0.9
257.24002	0.8
331.12894	0.7
405.17508	3.2
405.24976	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	405.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01755	2.8
55.24496	1.0
57.03324	16.9
59.01247	7.4
61.98692	3.2
64.95560	1.1
68.99704	1.1
69.03313	1.7
69.20506	9.5
69.20916	2.5
71.01259	7.1
73.02825	2.4
75.00760	2.2
76.65405	0.9
80.69946	1.0
83.01270	8.7
84.02050	1.6
85.02825	100.0
86.03156	2.2
90.52795	1.1
93.02573	0.9
101.02329	6.7
111.00767	29.9
112.01122	1.5
115.44579	1.1
118.06516	1.2
129.01831	46.8
130.02180	1.3
135.04395	1.9
150.03166	5.2
155.03377	1.2
161.04463	3.7
163.03877	2.4
165.05493	2.6
181.95819	1.2
187.02458	1.6
193.01404	1.8
194.02150	5.5
199.13358	7.6
205.03470	34.8
206.03819	2.0
207.02930	4.6
208.03717	1.9
209.04501	14.6
223.04538	11.5
225.11302	2.2
243.12308	3.9
405.17276	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	405.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	2.0
59.01248	58.8
62.82890	1.1
70.91579	1.9
71.01252	8.1
72.55341	1.3
73.02818	5.1
74.02361	1.5
85.02825	5.8
87.00739	3.8
89.02325	3.8
91.01769	10.7
99.00771	1.7
101.02337	3.5
109.02815	6.5
113.02290	2.5
116.19417	1.3
119.03423	1.3
125.02208	1.1
128.03404	1.9
135.00797	27.0
137.09618	1.9
139.11180	49.2
139.12277	2.6
142.16293	1.1
143.04514	2.6
153.01839	19.5
161.04474	3.2
163.11195	1.5
165.09114	2.3
174.05447	1.2
174.78783	1.3
175.09055	1.1
179.03432	1.2
179.05560	2.6
181.04918	1.4
181.12259	22.0
183.10182	62.5
184.10548	3.5
199.13274	7.8
225.11282	17.6
226.11581	1.8
243.06680	4.5
243.12350	77.7
244.12758	4.9
249.04245	1.1
297.06235	3.0
299.10254	2.6
299.75610	1.8
307.07834	2.4
329.11374	1.9
360.12204	1.5
372.95996	1.4
375.14383	1.8
387.16461	1.6
405.17618	100.0
406.17938	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	405.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	2.4
59.00962	2.1
59.01248	38.8
61.98694	2.0
71.01265	1.9
71.50853	1.3
71.51221	1.2
73.02806	3.7
85.02805	2.2
87.00734	2.0
100.57341	1.0
110.06951	1.0
118.86359	1.1
122.03639	1.5
137.09679	1.2
139.10156	2.1
139.11186	32.9
139.12262	2.0
140.11526	1.7
149.02290	3.2
150.03076	5.7
161.04440	2.2
163.11162	2.1
164.92476	1.0
165.05519	7.3
173.66098	1.1
177.03334	1.2
179.05492	1.4
181.12260	15.4
183.10172	46.0
184.10524	2.4
195.06557	3.8
199.13371	5.3
214.62604	1.0
225.11261	13.2
226.11618	1.8
243.12335	78.2
244.12650	5.3
387.16312	2.4
405.17590	100.0
406.17899	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	405.1192
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02261	1.0
57.03323	1.9
59.01254	12.4
61.98698	1.9
69.03329	53.0
70.52428	1.0
70.52762	1.3
71.01255	7.1
72.99198	1.2
73.02809	3.5
75.00764	1.4
79.01756	10.1
81.03320	4.2
83.01257	1.7
85.02828	10.2
87.00726	1.1
88.51467	0.7
89.02323	3.5
89.88451	0.8
93.03323	1.7
95.01266	7.5
97.02833	31.9
99.00742	0.9
101.02338	4.5
107.01272	36.2
107.04897	1.5
108.02085	10.2
109.02836	5.6
111.00769	1.5
113.02328	3.3
119.03374	1.2
119.04886	0.8
121.02856	5.9
123.00769	14.2
125.02340	87.3
126.02670	2.8
129.01817	2.0
133.02817	3.3
134.03592	1.3
135.00760	3.6
135.04395	1.9
136.01570	7.1
137.02332	5.4
139.11186	0.9
145.02754	1.0
149.02327	4.4
151.00279	83.4
152.00784	4.2
153.01849	18.4
161.04408	1.7
163.03915	6.9
163.57573	0.9
175.02521	0.9
175.03929	1.1
177.01807	12.1
179.03419	0.8
191.03392	1.0
197.06070	4.8
198.06668	1.8
199.07607	3.3
199.13408	1.0
205.03415	2.0
225.14839	1.2
242.05815	100.0
243.06563	53.9
243.16011	1.7
244.06879	3.4
285.07767	4.3
297.06036	15.7
322.17429	0.9
345.22708	2.1
363.19742	0.8
387.27658	1.1
405.11942	15.4
405.21051	6.0
405.25674	5.1
405.28970	2.2
406.12384	2.1
406.25253	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	405.1188
Annotation	Trichocarpin
Peak:m/z	Relative Intensity
52.31600	0.8
55.01749	1.7
57.03321	1.3
59.01249	11.7
61.98702	2.9
69.03324	63.6
70.03645	1.9
70.10030	0.8
71.01249	7.1
71.50251	0.7
72.99177	1.6
73.02834	3.2
75.00752	0.9
79.01758	12.6
81.03340	2.6
83.01254	1.4
85.02811	10.8
87.04385	0.9
89.02318	3.6
89.46120	0.8
93.03350	1.7
95.01244	7.8
97.02827	37.8
97.06502	1.1
99.98492	0.8
101.02319	3.6
107.01265	36.5
107.04910	1.1
108.02079	13.1
109.02842	4.5
111.00753	2.8
113.02316	3.3
121.02856	5.3
123.00767	14.5
125.02334	86.6
126.02685	3.1
129.01828	2.8
133.02856	2.1
134.03625	1.4
135.00780	2.3
135.04396	2.6
136.01575	6.4
137.02354	4.4
145.02838	1.3
149.02364	3.4
150.03064	1.1
151.00270	74.4
152.01071	3.9
153.01842	17.8
161.02321	1.6
161.04454	1.0
163.03922	9.6
177.01855	11.0
189.01874	0.9
197.06030	4.0
197.11812	0.8
199.07561	2.6
205.03462	2.2
207.03070	1.2
225.14946	1.0
242.05804	100.0
243.06554	52.5
244.06898	4.0
265.20258	0.9
285.07599	4.5
297.06085	15.6
298.06531	1.5
308.83121	0.8
345.22632	2.9
405.12006	14.7
405.21005	5.5
405.25378	6.9
405.28903	1.5
406.12317	2.6
406.21274	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1494
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01314	1.4
57.03654	1.3
58.02842	9.5
59.01250	2.4
59.27914	1.5
63.35369	1.6
66.03358	1.6
69.79015	2.8
69.79423	6.2
70.02842	1.9
72.69488	1.5
74.02345	19.1
81.04454	1.7
82.02860	1.4
86.02347	6.4
86.05972	1.7
86.98987	2.7
87.05525	6.7
97.03966	3.2
98.19758	1.4
98.20333	3.3
99.05509	18.7
101.07096	2.6
101.93002	1.4
102.05482	2.3
109.03986	3.6
112.03925	2.8
113.03472	1.6
116.01663	1.6
123.05504	1.6
125.03498	2.4
127.05001	4.1
128.03424	53.7
131.04523	1.7
135.05515	4.9
137.07173	2.3
141.06635	5.0
143.04517	69.4
143.49202	1.8
145.06088	4.0
146.04495	4.3
153.06557	3.3
160.00665	17.9
166.09766	2.1
167.04591	4.1
167.08177	2.6
171.07594	1.7
177.03297	9.1
179.04518	12.0
185.05563	2.1
210.08800	10.8
213.03307	2.0
254.07805	19.3
272.08862	33.6
273.09244	2.2
288.06619	12.0
306.07642	100.0
307.08041	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	403.2852
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56900	2.4
52.53272	2.2
54.44267	2.3
54.45138	2.3
54.55952	2.7
61.98694	13.9
62.11026	2.4
71.72637	2.3
72.99182	7.0
97.06457	10.4
115.28442	2.5
125.05972	99.1
125.22130	2.3
126.06262	3.9
127.17206	2.1
143.07031	100.0
150.08762	2.4
173.69302	2.3
268.68915	2.3
277.21704	94.3
278.21979	8.5
335.35037	2.8
341.22983	2.5
404.92007	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1496
Annotation	Unknow
Peak:m/z	Relative Intensity
56.47327	1.1
58.02843	14.7
58.03566	0.9
59.01255	11.8
64.89433	1.1
66.03354	1.6
67.43381	1.0
70.02838	2.3
70.36480	2.6
71.01244	6.3
72.00770	1.3
74.02341	33.6
81.04419	1.6
81.16872	1.0
82.02829	5.7
84.04393	2.6
85.02854	2.4
86.02345	11.0
86.05963	3.2
86.98962	3.3
87.05495	6.9
88.85755	1.0
89.02309	3.4
90.00066	2.2
97.03946	4.2
99.05518	28.6
101.02319	2.5
101.07073	4.2
102.05477	3.0
103.54589	1.4
107.06053	1.6
109.03945	4.1
109.07575	1.4
111.05536	1.8
112.03930	4.4
113.02307	2.1
113.03424	1.2
116.01634	1.9
119.03345	2.1
123.05524	2.8
124.03911	2.6
125.03456	3.5
126.01859	1.9
127.05057	6.0
128.03421	67.1
129.03780	1.8
131.04512	2.6
135.05521	6.5
137.07118	1.8
141.06621	8.4
143.04521	100.0
144.04868	1.8
145.06068	3.7
146.04510	8.1
153.06584	6.9
160.00650	23.5
166.09750	3.8
167.04558	8.6
167.08192	3.7
177.03293	6.6
179.04552	16.7
181.06088	2.0
185.05583	3.6
197.05594	1.8
198.08751	1.8
210.08739	12.9
242.07753	1.4
243.03592	1.3
254.07761	13.0
272.08853	16.5
288.06619	5.4
306.07623	54.6
307.07953	1.9
405.21448	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.27
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71957	0.6
54.64100	0.5
56.49598	0.5
57.03329	1.4
59.00962	0.6
59.01245	8.5
61.98696	7.9
66.98447	0.5
66.98797	0.5
71.01250	2.6
71.29943	1.1
72.99143	0.6
83.04868	1.0
87.05508	3.7
89.02314	4.9
90.82135	0.5
91.03883	19.2
97.06463	0.9
99.08036	6.3
105.74527	0.5
111.70477	0.5
116.04932	1.0
121.02834	0.5
125.09576	1.1
127.11170	3.1
129.06609	6.7
137.09633	1.0
138.52303	0.5
139.11188	8.0
155.10652	0.6
155.14236	1.1
157.12202	1.0
157.78944	0.6
167.14348	1.0
171.10176	19.7
171.49718	0.5
172.10512	1.6
183.13849	4.5
193.12233	1.9
201.11147	0.6
209.11768	1.0
211.13319	25.5
212.13661	1.7
229.14397	15.1
230.14720	1.0
242.11780	1.8
286.19373	0.7
293.21259	2.5
311.22253	11.4
312.22888	1.3
328.20337	1.5
329.23306	100.0
330.23657	10.0
372.19318	0.6
403.26938	0.5
404.21680	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
54.01407	1.1
55.01752	4.4
57.03318	4.1
58.00476	1.3
58.02844	3.6
59.01247	28.1
61.98706	2.4
69.40023	8.3
70.02853	1.2
71.01250	36.5
72.99174	4.5
73.02812	14.8
74.02335	7.6
75.00723	1.4
82.02842	1.1
83.01256	8.4
85.02820	20.9
86.02354	3.6
87.00753	3.5
87.05501	2.3
89.02320	5.4
95.01261	3.2
97.02817	1.4
99.00767	5.7
99.05502	7.9
101.02315	33.5
107.27475	1.0
111.00751	1.4
112.03936	1.0
112.20801	1.0
113.02332	13.2
119.03413	1.7
128.03424	22.0
129.01869	1.8
135.05521	2.6
137.02284	0.9
137.09650	1.4
141.06616	2.4
143.03401	1.8
143.04521	28.1
145.06134	2.0
146.04485	3.1
153.06538	1.5
159.02855	1.2
160.00659	7.4
161.04428	5.2
167.04495	2.0
177.03287	3.8
179.04398	5.2
179.10742	1.5
195.06625	1.0
197.05696	1.1
197.11772	2.1
197.13536	1.1
197.15424	2.1
210.08743	5.2
241.10777	2.9
241.14427	1.1
242.07779	1.4
254.07700	8.0
272.08835	13.1
280.47476	1.1
288.06454	4.9
306.07623	39.3
403.19751	100.0
404.20175	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	403.197
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05779	0.9
55.01736	1.5
57.03320	5.0
58.00451	1.2
59.01249	49.8
61.98689	2.2
63.45365	0.9
69.03316	2.3
69.63246	1.1
70.90452	2.7
71.01250	29.5
71.04886	1.8
72.99178	9.7
73.02821	8.1
75.00745	13.0
81.03320	1.2
83.01251	4.4
84.02034	1.0
85.02812	14.5
86.76502	1.0
87.00745	9.9
89.02320	5.3
95.01257	1.4
95.04882	1.4
97.02823	4.3
99.00742	3.6
101.02325	14.6
108.02051	1.2
109.02809	3.4
113.02335	7.3
115.00256	11.1
119.03384	1.7
124.01506	1.7
125.02316	2.4
125.09592	1.2
127.03905	1.2
135.02861	4.6
148.05191	1.7
153.12758	3.2
154.49435	1.1
169.12222	9.2
171.10173	7.9
175.02370	21.3
177.12759	1.0
179.10719	2.5
181.12257	6.7
184.29776	1.2
193.12312	1.6
195.13762	6.2
197.11751	49.5
198.06732	1.8
198.12088	3.6
199.13307	23.5
200.13741	1.5
207.10263	1.6
209.11580	1.0
209.15388	2.7
211.13309	3.6
213.14844	1.4
223.09866	1.1
223.13365	2.9
225.11328	2.5
225.14830	2.3
235.13324	6.7
239.12822	6.9
241.10777	2.5
241.14474	5.5
245.11763	13.3
246.12207	1.9
249.14816	1.3
251.12854	2.6
253.14397	5.1
263.12833	8.1
265.14398	1.2
267.12405	1.2
269.14001	2.4
279.12433	1.7
281.10187	1.4
281.13757	1.3
283.11786	6.9
285.13419	65.3
286.13776	6.0
289.10800	3.2
293.13611	1.0
295.11862	1.9
297.13382	6.4
307.11847	18.2
308.12207	2.7
313.13007	5.1
315.14581	4.6
325.12881	18.8
326.09164	1.1
326.13159	2.3
343.13889	3.7
343.17596	23.0
344.18021	1.9
361.18668	61.8
362.18991	6.0
367.13803	1.9
403.19711	100.0
404.20074	11.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1971
Annotation	Pisumionoside
Peak:m/z	Relative Intensity
51.00938	1.3
57.03315	2.1
59.01249	100.0
60.01581	1.9
61.98695	40.4
68.46982	1.4
71.01250	21.3
71.49823	1.6
72.99163	2.3
73.02800	6.0
75.00734	4.3
75.40298	1.2
77.58017	1.1
78.95779	1.3
83.01249	3.3
85.02822	11.4
85.15743	1.4
85.99918	1.8
86.03685	1.3
87.00722	4.6
89.02297	4.6
89.65958	1.2
95.01255	2.7
99.00705	2.2
101.02332	8.6
113.02305	5.9
121.02860	1.9
123.04363	3.6
125.02280	1.8
137.02263	1.4
151.00211	1.6
151.03816	1.6
153.12695	2.9
157.04953	2.1
158.92296	1.3
166.02638	6.6
167.03343	2.7
175.02335	2.8
179.20235	1.2
180.53915	1.5
181.04929	5.4
181.12259	2.6
189.31804	1.4
191.24355	1.6
197.11746	4.4
199.13330	21.7
211.06088	1.7
217.12671	1.4
228.85001	1.4
239.12846	2.6
241.14427	1.9
283.11713	2.0
285.13391	7.8
306.56052	1.5
327.08582	2.0
343.17587	21.1
344.17581	1.6
361.18643	56.4
362.18906	5.2
388.11267	3.0
403.13864	10.8
403.19522	67.9
404.14706	2.0
404.19913	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	403.1971
Annotation	Pisumionoside
Peak:m/z	Relative Intensity
55.01759	1.1
57.03319	1.1
58.00480	0.9
59.01249	49.9
59.75207	0.2
60.01598	0.7
60.97146	0.3
61.98703	7.6
65.34324	0.2
69.03323	0.8
71.01251	30.2
71.04886	1.6
71.50778	0.2
71.51159	0.3
72.01600	0.4
72.99176	1.4
73.02818	9.7
75.00755	0.5
75.48396	0.3
78.95812	0.3
81.03335	0.3
83.01259	4.5
85.02818	6.9
85.03296	0.4
85.06466	0.8
85.99955	0.5
87.00756	3.7
89.01762	0.5
89.02316	9.2
90.02660	0.2
95.01254	1.7
97.02834	0.8
99.00757	1.8
101.02319	15.9
103.86301	0.2
109.06479	0.5
111.00794	0.7
111.08002	0.3
113.02328	6.7
113.03079	0.5
119.03384	2.8
124.01505	0.3
125.02354	1.2
131.03374	0.5
134.03648	0.5
143.03415	0.9
153.12759	2.2
159.02893	0.3
161.04506	0.5
178.02687	0.3
181.12260	7.9
182.12599	0.6
193.04985	0.7
199.13321	12.6
200.13680	1.0
211.13300	0.5
223.13326	0.3
241.14494	0.6
325.16498	0.4
335.34467	0.3
343.17599	16.9
343.53876	0.3
344.17975	2.1
361.18658	45.9
362.18948	4.5
403.19693	100.0
404.20071	12.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1974
Annotation	Breyniaionoside A
Peak:m/z	Relative Intensity
57.03314	3.2
58.00470	1.7
59.01251	100.0
60.01583	1.7
61.98703	24.0
67.88580	1.4
69.03320	4.2
70.64948	1.5
70.79728	2.2
71.01253	55.7
72.01585	1.5
72.99172	5.1
73.02818	67.6
74.02333	1.3
74.03151	2.2
75.00749	2.6
83.01252	19.8
83.04889	3.9
83.50109	1.4
85.02825	9.7
85.06450	2.4
87.00744	5.4
89.02308	12.1
93.52303	1.2
95.01257	1.3
97.06443	1.6
99.00758	3.8
99.08038	15.6
101.02323	55.6
113.02322	12.8
115.00253	5.3
119.03402	3.6
120.42805	1.5
125.02371	3.0
128.03413	2.1
129.01787	1.6
131.03378	2.9
135.02928	1.8
135.11678	1.9
138.05487	2.6
143.03374	3.8
149.04422	3.2
155.03398	1.9
161.04439	9.7
164.98233	1.5
175.02402	7.6
181.12227	2.8
183.13832	1.6
199.13338	2.2
209.15442	1.6
211.13336	2.4
214.75951	1.2
226.99362	1.2
240.12723	1.4
241.14415	5.2
253.14265	1.3
285.13351	3.9
314.13065	1.7
317.19675	3.9
327.09851	1.4
344.50388	1.3
361.18634	1.8
385.14951	2.9
403.14801	2.5
403.19473	28.6
404.19989	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	403.1608
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02734	1.9
55.01744	2.7
57.03323	11.9
59.01250	15.2
61.98698	31.6
69.03339	1.9
69.16031	20.7
71.01244	14.6
72.99177	13.3
73.02812	5.4
75.00742	32.6
75.89993	1.7
78.64996	1.7
80.29170	1.7
83.01260	8.0
84.02038	2.4
85.02821	65.0
87.00745	6.3
95.04914	2.3
98.19823	3.5
99.00771	3.4
101.02316	3.8
103.10350	1.8
109.02812	3.3
111.00765	16.0
113.02321	2.4
115.00263	19.0
123.04377	4.6
125.02290	2.5
129.01820	23.9
134.76854	1.9
135.02888	12.5
166.35574	1.9
169.04997	1.9
169.12212	5.2
171.10187	33.1
172.10506	2.0
175.02390	19.6
193.12198	1.8
195.13799	18.4
197.11746	37.7
198.12056	2.4
205.03464	18.2
211.13309	6.7
221.11777	3.7
223.04568	6.3
223.13261	4.7
239.12814	22.6
241.10809	1.8
241.14394	6.4
242.27721	2.0
267.12421	7.0
274.94507	1.9
283.11862	45.7
284.12262	5.0
285.13428	100.0
286.13788	7.9
300.95609	2.3
315.14426	10.6
325.12878	5.5
343.13983	9.2
371.68192	2.2
403.16022	3.6
403.23434	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1609
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86307	1.5
57.03316	4.9
59.01250	14.4
61.98697	2.6
63.11701	1.5
68.13782	1.7
69.49509	5.9
69.49937	5.8
71.01253	15.5
72.99179	12.4
73.02826	7.2
75.00738	23.8
83.01233	2.5
83.04879	2.4
85.02816	8.5
87.00754	9.6
89.02319	2.4
95.01237	1.6
95.04843	2.8
97.02826	5.1
98.20075	4.8
99.00758	2.8
101.02303	4.9
108.02058	2.0
109.02816	5.3
113.02275	1.9
115.00243	17.6
135.02872	5.9
148.05177	3.9
156.44443	1.5
165.70555	1.7
169.12228	12.2
171.10168	12.9
175.02393	33.3
181.12294	2.4
182.35556	1.5
193.12221	1.9
195.13849	7.4
197.11757	80.8
198.12109	3.6
199.13316	3.8
207.10194	3.5
207.13940	2.8
209.11836	1.7
209.15363	4.8
211.13251	4.4
219.13988	2.2
223.13313	3.3
225.11052	1.9
227.12856	2.9
233.11893	1.7
235.13348	10.2
238.72902	1.6
239.12761	8.0
241.10716	4.1
241.14365	9.0
245.11781	17.0
251.12912	2.6
253.14424	10.0
263.12885	11.4
267.12506	2.0
269.13980	2.9
281.13828	3.9
283.11841	12.0
285.13422	100.0
286.13739	9.0
289.10846	5.9
297.13345	9.1
307.11835	27.6
308.12222	3.2
313.13037	7.4
315.14374	5.8
325.12799	22.6
326.13028	2.6
333.73984	1.7
343.13736	7.2
343.17517	2.2
361.18762	8.3
385.14871	2.1
403.19708	12.4
404.20190	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	403.1607
Annotation	6-Deoxylamioside
Peak:m/z	Relative Intensity
52.11813	2.7
53.57237	3.0
55.31891	2.7
56.58589	2.7
57.03305	5.3
59.00965	4.4
59.01250	87.6
61.98692	10.7
71.01254	7.9
71.51281	4.1
72.07684	2.7
73.02824	3.1
78.09835	3.0
78.95760	11.8
79.66294	2.6
85.02837	6.8
87.00745	20.6
89.02324	4.3
97.02798	2.7
99.00757	4.4
101.02300	3.4
115.92133	3.1
117.01758	3.3
122.48173	2.8
123.00709	4.1
123.08041	5.6
125.02339	3.3
128.03435	3.6
132.89854	2.9
133.10091	3.1
134.04623	3.5
135.08054	6.2
137.09627	19.8
143.04579	4.7
153.09128	3.3
159.02965	2.7
161.04500	13.2
161.09656	10.6
163.07532	5.0
179.05525	28.8
179.10750	13.8
181.08606	23.4
197.11743	39.3
198.12000	4.6
218.04753	2.8
223.09729	19.4
241.10776	36.7
351.25793	2.8
403.16077	100.0
403.21429	5.4
404.16391	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	403.1245
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01744	0.9
57.03284	1.0
59.01250	100.0
61.98672	2.5
69.03294	1.5
69.23572	7.1
70.52444	0.8
70.53088	0.8
71.00915	1.0
71.01249	13.2
72.99165	4.0
73.02822	9.5
75.00742	5.8
83.01237	1.7
85.02818	5.3
87.00726	3.6
89.02291	2.2
94.47784	0.8
95.01186	0.9
95.04871	2.0
97.02809	1.5
99.00723	1.2
101.02325	4.2
109.02810	0.8
113.02282	2.9
115.00260	4.1
123.04410	5.0
123.07959	1.0
125.02274	1.3
135.02878	1.0
157.04895	3.2
169.12135	2.4
171.10092	2.2
175.02379	3.9
181.12218	1.7
192.24228	0.8
195.13728	2.5
197.11749	16.3
198.12025	1.1
199.11768	1.0
199.13304	11.2
203.16997	1.0
205.12228	0.9
207.10193	1.0
211.05882	2.2
211.13245	2.3
221.11603	1.0
235.13254	1.7
239.12677	3.7
241.10675	1.6
241.14305	1.2
245.11604	1.1
263.12622	1.3
283.11884	4.4
285.13467	16.8
307.11902	1.6
315.14178	1.8
325.12848	2.1
343.13849	2.0
343.17374	9.3
343.21289	2.1
348.63260	0.9
361.18668	27.3
362.18872	1.6
385.14795	1.5
403.19308	28.5
403.23431	4.2
404.19635	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	403.1147
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00777	1.4
57.03328	3.3
59.00156	1.5
59.00965	2.1
59.01250	36.0
61.98714	8.2
69.03328	1.7
69.55686	6.4
69.56113	5.0
71.01245	21.5
72.99171	5.9
73.02824	9.4
75.00742	3.2
83.01258	4.9
85.02825	12.2
87.00744	12.3
87.04388	2.1
89.02322	8.1
95.04897	1.9
97.37218	1.6
99.00758	3.0
101.02332	10.3
105.01772	1.7
107.04834	1.8
111.00706	2.0
113.02328	6.1
115.00257	16.4
120.04427	2.5
122.06013	6.1
126.58707	1.9
129.01846	9.9
132.04431	10.3
135.02850	5.7
147.03131	4.5
148.03906	5.1
150.05508	3.6
151.03911	5.4
158.02362	5.4
160.03949	6.1
161.02347	2.0
161.04510	5.3
162.03128	4.1
162.05516	4.3
167.10643	2.3
171.10168	2.9
175.02449	33.8
176.03500	12.6
179.03410	11.1
180.04135	8.6
181.12114	1.9
185.11894	1.9
187.09634	2.6
190.05014	14.6
192.06670	2.3
194.05766	9.2
195.06563	11.9
197.11749	2.5
197.87877	1.8
199.13228	3.2
201.11325	2.6
204.02975	7.9
205.03604	1.9
206.04512	1.8
207.06570	2.0
209.08226	14.5
211.13513	2.7
212.10774	2.5
215.11839	3.4
223.08887	2.3
224.09476	6.2
225.09987	2.2
227.08125	9.1
228.47247	2.3
234.03882	2.5
239.08275	3.1
239.11778	14.0
240.10338	4.9
240.12376	1.8
241.09921	5.6
241.14505	4.2
243.07629	2.5
243.11366	5.0
251.12740	3.3
253.06216	14.5
253.09845	3.0
254.06885	2.9
255.07587	5.6
255.11421	6.4
263.12781	2.0
265.09790	3.0
266.07132	2.2
267.07739	5.2
268.08542	10.3
269.09201	6.3
269.13608	1.9
271.07254	3.4
271.10886	2.1
281.09436	9.6
283.10858	50.4
284.11319	3.5
285.13461	4.9
287.10074	2.0
294.06467	5.2
297.05203	3.0
298.05173	1.9
299.06833	2.5
299.10223	2.2
300.78009	1.9
306.07608	1.9
309.08749	28.1
310.09174	3.5
312.07730	2.1
315.13443	4.0
327.09839	62.3
328.10184	7.0
331.09186	2.4
341.11356	7.7
343.08145	2.9
343.17535	4.7
353.07813	5.2
359.12476	8.5
361.18588	10.3
361.22412	2.0
371.08807	48.3
372.09180	3.9
385.10272	5.7
403.11429	100.0
403.19019	21.0
403.23599	11.3
404.11871	14.7
404.19464	2.0
404.24179	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	402.2681
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01266	2.6
60.97400	3.3
63.96101	5.2
65.81611	1.2
69.38815	8.9
72.00781	12.5
74.02338	4.1
75.96197	1.2
76.96899	4.4
77.00539	2.8
79.95599	4.4
82.44077	1.4
86.00559	9.1
89.46601	1.4
100.03931	4.2
121.02864	1.4
121.93085	1.3
151.06294	1.3
164.03758	21.6
236.96269	1.2
237.22153	5.9
254.24950	3.0
255.23235	1.7
280.26349	9.4
281.26788	1.5
282.24362	5.5
294.28021	42.1
294.31378	2.2
295.28375	4.6
324.23630	2.6
338.26874	8.4
358.27536	2.0
384.03488	1.3
387.24432	6.7
402.26807	100.0
403.27228	12.6
406.23767	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1145
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	2.0
57.03316	5.3
59.01252	50.1
61.86270	1.4
61.98704	7.5
71.01255	32.7
71.04887	2.3
71.50784	1.7
72.99176	7.1
73.02803	11.3
75.00745	5.1
75.50733	1.6
79.63473	1.4
83.01244	5.1
83.04915	2.6
85.02824	16.7
87.00749	18.6
89.02321	6.6
95.04933	1.7
99.00755	3.7
101.02330	13.2
105.01799	3.0
108.04441	2.1
111.00777	3.3
113.02332	6.6
115.00254	18.3
119.03434	2.4
121.02858	1.6
122.05997	5.9
124.07619	1.9
129.01843	7.7
132.04443	13.7
135.02875	3.7
138.05531	2.3
140.12715	1.4
147.03059	6.1
148.03944	7.2
149.02338	2.7
150.05510	5.1
151.03891	4.2
158.02370	2.5
160.03984	9.0
161.02324	2.5
161.04442	2.9
162.03131	4.4
162.05516	3.5
167.10654	2.8
171.10179	1.9
174.01660	2.7
175.02449	46.1
176.03479	15.5
177.12784	1.5
178.02550	2.1
179.03442	8.3
179.07114	1.6
179.86397	1.5
180.04166	9.5
181.12241	3.7
187.09679	4.6
190.05002	10.5
192.02922	3.0
194.05797	9.9
195.06601	10.0
195.13803	1.7
197.11794	2.2
199.13324	6.5
200.10846	2.0
201.11223	2.9
203.02205	2.3
204.02957	16.1
205.03447	4.5
209.08191	16.4
210.07982	1.9
211.13354	3.6
212.05818	4.7
212.10715	4.5
215.11766	3.0
223.04666	1.8
223.13454	2.5
224.09497	7.0
225.06619	1.4
226.07373	3.6
227.08159	10.3
234.04019	5.5
237.10463	1.6
239.08162	5.2
239.11810	11.3
240.10211	5.1
241.09892	6.6
241.14488	3.4
243.07515	2.6
243.11378	9.8
250.07408	2.4
251.12863	2.3
253.06200	14.0
253.09727	5.5
254.06828	2.7
255.07733	6.9
255.11401	6.8
256.04807	2.0
265.06183	3.7
265.09824	3.8
266.07004	4.8
267.07690	5.9
268.08493	9.0
269.06784	2.8
269.09210	10.0
271.07233	7.7
271.10522	2.5
281.09210	13.1
283.07639	2.1
283.10837	46.9
284.11386	2.8
285.13495	6.6
293.05737	2.0
294.06503	7.1
297.05112	4.7
299.06747	2.4
299.10364	4.5
309.08813	39.1
310.09192	3.6
312.07346	2.3
327.09842	70.0
328.10056	8.0
341.11432	12.9
343.09189	3.4
343.13666	2.6
343.17514	13.4
343.21112	2.4
353.07809	11.2
359.12506	9.5
361.18597	25.8
361.22455	1.8
371.08817	50.2
372.09198	9.1
385.10141	7.1
385.22470	2.5
386.85611	1.7
403.11383	100.0
403.19629	50.5
403.23593	12.5
404.11795	16.5
404.20050	4.4
420.24628	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	401.233
Annotation	Macrolactin K
Peak:m/z	Relative Intensity
50.82816	0.5
55.14229	0.5
57.03319	0.6
59.01235	1.2
68.41265	0.5
69.87080	1.9
71.01231	0.7
80.96372	0.8
83.01242	3.2
83.04896	0.7
91.87119	0.5
96.60009	0.5
107.04958	0.8
121.02817	2.7
121.06485	0.6
123.04400	1.8
147.50403	0.5
149.05957	1.6
151.03885	9.8
159.27382	0.6
161.31964	0.5
163.07562	0.6
165.05524	3.2
166.06322	0.6
171.04512	0.5
177.01834	3.4
179.03430	2.3
179.49435	0.5
180.04153	3.4
181.04887	1.1
193.04982	100.0
194.05739	35.1
195.06044	1.7
205.05009	5.2
207.06587	7.1
207.13852	1.0
208.06688	0.6
219.06476	0.7
249.07228	0.5
259.09735	0.8
313.06967	0.7
331.15491	0.7
332.16272	2.3
401.23282	95.0
402.19138	0.9
402.23737	12.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1815
Annotation	Spionoside B
Peak:m/z	Relative Intensity
50.90230	0.5
59.01249	5.5
70.37247	1.6
71.01258	3.2
72.99207	0.7
73.02789	0.8
75.00753	1.0
80.16653	0.5
83.01256	0.8
83.04916	0.8
85.02838	1.8
87.00748	6.0
89.02324	0.9
92.93930	0.5
97.02819	0.7
97.06439	0.9
99.00791	1.0
101.02364	1.0
112.98627	0.5
113.02358	1.0
115.00248	5.6
125.02293	0.8
157.01347	1.1
161.04486	2.5
175.02396	7.6
175.03812	0.8
177.12758	8.5
179.05518	4.2
195.13843	100.0
196.14177	5.9
221.11758	2.7
239.12856	52.9
240.13188	4.3
283.11862	0.8
301.12820	1.0
341.12476	0.6
401.18130	32.7
402.18469	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	401.2328
Annotation	Macrolactin I
Peak:m/z	Relative Intensity
52.71461	1.0
54.87144	0.9
59.01248	6.9
61.98672	1.2
65.03831	6.4
66.78846	0.9
70.65800	2.1
70.66148	1.0
71.01266	1.5
73.43761	0.9
89.02305	1.1
91.05396	4.3
97.06467	1.2
101.02324	1.1
105.06976	1.5
114.87583	1.1
115.05424	1.2
119.08569	1.0
121.02838	15.3
125.09606	10.9
133.10092	2.0
145.10161	1.3
159.08083	0.9
159.11653	1.5
178.97276	0.8
185.09612	2.0
187.14839	18.7
188.15172	1.4
213.12740	3.3
225.05467	1.0
231.13846	29.9
232.14288	1.5
242.93987	0.9
270.17563	1.2
282.03503	1.0
285.14752	1.1
301.03098	2.1
313.07220	5.1
339.23352	1.7
357.06158	1.6
357.24249	1.3
378.31882	0.9
383.22141	6.2
384.22781	1.2
401.08807	4.0
401.23282	100.0
402.23630	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	401.145
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	100.0
60.01584	1.3
64.00218	0.3
70.84692	1.1
71.01266	0.5
74.58419	0.4
80.68196	0.3
85.02843	0.5
85.31804	0.3
101.02312	0.5
115.00211	0.4
118.03674	0.4
122.03631	3.8
124.47921	0.4
132.55522	0.4
134.75754	0.3
135.02911	0.4
137.05974	14.0
137.06984	0.7
138.06326	0.6
149.42667	0.4
154.06699	0.3
165.58945	0.3
175.02406	0.9
341.10953	0.4
393.92111	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1817
Annotation	Spionoside B
Peak:m/z	Relative Intensity
57.03330	1.0
59.01250	26.9
70.84019	1.5
71.01246	4.7
73.02823	0.8
85.02827	2.9
89.02319	3.0
91.03902	1.8
97.06471	2.2
101.02334	1.9
113.02370	3.3
121.02850	1.0
135.11775	0.9
153.12672	0.7
153.59355	0.7
166.59622	0.6
171.10182	2.8
177.12747	6.8
179.10699	12.8
180.11037	1.0
187.97775	0.8
195.13837	100.0
196.14172	6.3
203.10693	1.8
211.13284	2.2
219.13814	1.6
221.11833	3.1
229.14430	1.1
229.67732	0.6
239.12845	92.9
240.13203	7.4
263.12869	3.7
281.13943	2.9
286.92352	0.7
291.19571	1.2
305.39792	0.6
309.20618	1.1
327.21762	10.2
328.21954	0.9
342.66028	0.8
401.17889	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	401.145
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	100.0
60.01584	1.3
64.00218	0.3
70.84692	1.1
71.01266	0.5
74.58419	0.4
80.68196	0.3
85.02843	0.5
85.31804	0.3
101.02312	0.5
115.00211	0.4
118.03674	0.4
122.03631	3.8
124.47921	0.4
132.55522	0.4
134.75754	0.3
135.02911	0.4
137.05974	14.0
137.06984	0.7
138.06326	0.6
149.42667	0.4
154.06699	0.3
165.58945	0.3
175.02406	0.9
341.10953	0.4
393.92111	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43964	1.0
55.01733	1.2
57.03328	1.7
58.00457	1.2
59.01250	24.8
67.19968	1.3
69.03328	2.0
69.31864	6.5
69.32283	4.0
71.01250	16.7
72.99184	8.2
73.02838	2.7
75.00737	12.9
81.03312	2.7
83.01258	2.8
83.04922	1.9
85.02839	4.1
87.00747	19.1
89.02328	4.5
95.04908	1.7
95.46261	1.1
97.02818	2.1
97.06463	2.9
99.00758	5.1
101.02344	3.9
107.04916	1.9
107.52471	1.1
109.02834	2.4
109.06503	1.4
109.47050	1.2
111.00774	1.8
112.98643	1.1
113.02344	2.0
115.00253	37.0
117.01842	2.6
122.03688	1.3
123.04377	2.6
123.08051	4.3
125.02335	2.0
125.05973	2.1
125.09582	9.7
127.00302	1.5
127.03934	1.5
129.01862	1.6
133.01352	2.1
135.02887	42.1
136.03201	1.4
139.00275	2.1
142.99747	3.9
145.01300	1.4
150.03096	1.3
157.01341	2.4
161.04465	1.4
163.11186	1.7
175.02397	100.0
175.18710	1.2
176.02765	4.5
177.12715	1.6
185.11778	2.4
187.09694	3.4
193.12271	1.7
195.13852	7.8
209.11783	16.3
210.12233	1.4
211.13297	3.1
219.10320	1.3
221.11855	8.4
223.13383	1.8
225.14943	3.2
227.12793	6.6
235.13295	2.8
237.11324	3.2
239.12834	6.7
247.09949	1.1
249.14812	1.7
250.14328	1.8
251.12944	1.5
253.10632	1.7
261.11331	2.3
263.99777	1.4
265.10794	16.3
266.11154	1.5
267.12369	3.2
277.14401	1.3
279.12415	3.6
283.11868	6.1
293.13980	1.5
295.15543	2.6
297.13498	6.4
301.12982	1.8
321.13403	3.7
323.11566	1.5
339.14404	1.9
341.11096	1.5
341.19327	1.3
357.66498	1.2
365.12366	2.9
383.13388	5.7
401.08774	1.6
401.14136	3.1
401.21808	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	401.1451
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20925	0.5
59.01251	100.0
60.01604	1.4
61.31122	0.6
71.51145	0.9
73.02846	0.6
76.44583	0.6
78.49809	0.6
84.42056	0.6
101.02359	0.9
124.01792	0.6
197.57880	0.6
199.57298	0.5
271.85074	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01064	1.3
57.03319	2.2
59.01247	100.0
68.04691	1.2
69.03319	1.9
70.41356	4.1
71.01251	3.0
81.03329	7.8
83.04906	10.4
85.02818	9.6
87.00733	4.3
93.03344	2.5
95.04906	17.1
109.06502	7.6
119.04913	1.1
123.04402	3.6
125.90975	1.3
129.01839	1.5
135.08066	9.5
141.05467	4.5
146.03630	11.1
159.08078	3.2
161.04453	4.9
161.05984	4.3
164.04715	3.9
177.09116	42.2
178.09486	2.9
179.05550	6.7
179.07021	35.4
195.10187	26.9
196.10550	1.5
221.08147	17.2
239.09207	46.7
240.09563	3.9
308.03217	1.4
363.10712	1.7
401.09238	2.6
401.14532	50.4
402.14835	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	400.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
56.32839	2.4
57.68015	2.4
58.00470	4.1
59.01250	85.7
61.98687	2.2
71.01254	67.3
71.49354	4.2
72.99171	9.4
73.02789	2.3
83.01275	2.6
85.02796	10.6
85.43155	1.9
87.00723	2.8
89.02315	64.8
92.86691	1.9
95.01250	3.3
96.95899	2.9
101.02316	35.5
113.02317	21.2
119.03386	29.9
124.86736	1.8
126.08123	2.1
127.55800	2.0
131.03400	2.4
143.03407	3.4
143.07068	1.9
148.04750	2.1
161.04437	4.6
179.05519	4.9
193.12234	4.3
211.13329	23.6
220.13373	83.0
221.13644	6.0
271.17468	5.4
331.98355	2.6
400.19736	100.0
401.14835	2.0
401.20120	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	401.0877
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69955	0.6
57.03306	0.7
59.01236	3.2
65.00180	0.8
66.45212	0.5
70.32640	0.8
70.94097	0.8
70.99404	1.7
71.01259	2.9
73.02789	1.9
75.00739	0.7
77.03828	1.7
79.01736	1.4
83.04892	2.9
85.02785	1.2
87.00714	1.3
93.03321	2.2
97.06425	0.7
99.00730	0.8
101.02294	0.8
105.03303	1.0
111.05542	0.6
113.02343	0.9
115.00253	0.9
117.03332	14.6
118.03593	0.6
119.04881	1.5
121.02804	2.4
125.02254	1.0
133.02823	0.6
135.00752	0.7
135.02849	1.1
135.04388	1.9
137.02353	0.9
137.06982	0.8
145.02782	0.7
149.02290	2.3
151.00218	1.4
151.11169	2.3
159.04401	1.9
161.02361	9.0
161.04410	0.9
163.00232	3.0
163.03944	3.1
165.01797	2.5
166.38495	0.6
167.10750	0.9
175.02339	2.5
175.03885	1.8
177.01776	1.3
177.09123	1.9
179.03432	1.0
179.05524	2.3
181.06435	0.8
183.04407	1.5
183.08008	0.9
191.03358	1.4
193.01343	0.7
195.10240	2.8
197.05936	1.0
203.03386	1.5
211.07466	0.8
224.04675	1.1
225.05417	1.9
239.03477	0.8
239.07130	1.7
239.09235	1.3
251.07068	0.8
253.05009	2.7
254.05496	0.7
267.06500	0.7
267.65833	0.7
268.03723	7.5
269.04532	16.2
270.04877	1.7
281.04550	24.3
282.05280	22.5
283.06073	44.1
284.06424	4.0
293.04471	1.2
295.06082	10.1
308.03329	3.1
309.03949	2.6
311.05585	100.0
312.05927	10.5
313.12268	0.6
314.04211	2.2
323.01990	1.3
323.05588	17.3
324.05789	1.9
325.07257	2.0
337.07565	0.8
341.06628	80.4
342.06961	9.2
347.05478	1.6
353.06552	1.6
365.06592	1.9
383.07733	15.5
383.12637	0.7
384.07864	2.1
401.08759	68.9
402.09055	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	399.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
54.27786	2.3
56.10679	3.1
59.01248	8.8
61.98703	100.0
71.50661	4.9
73.73201	2.1
75.00748	2.8
75.04969	2.8
91.00379	2.1
96.95903	6.1
103.91874	3.6
104.80514	2.2
105.01839	6.4
122.89285	2.6
160.63902	2.3
166.35387	2.3
171.10303	3.3
209.11781	4.0
222.68086	2.4
306.95572	2.6
309.20639	4.9
311.22351	3.1
330.14481	2.6
399.10434	5.1
399.16861	4.4
399.24054	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.2749
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54606	0.3
59.01239	2.1
60.01600	0.3
61.98701	0.4
63.57125	0.3
63.75679	0.4
69.86453	2.1
73.48285	0.4
80.04671	0.3
85.01021	0.4
111.08043	0.5
125.09649	0.5
127.11155	0.6
150.52412	0.4
155.95204	0.4
159.93137	0.4
163.11133	0.5
165.12747	0.5
167.10640	0.6
179.22885	0.4
195.13824	0.6
249.22205	1.3
265.21753	1.2
293.21191	7.4
294.21494	0.6
307.22635	1.1
309.20718	0.7
310.21463	2.9
325.23822	100.0
326.24130	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	399.2749
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67946	0.4
57.03318	0.5
59.01229	1.0
71.06132	1.1
75.54545	0.4
85.81229	0.5
91.03870	0.7
103.51652	0.4
127.11172	1.5
145.85153	0.4
146.52757	0.5
163.11148	0.4
165.12608	0.6
172.59750	0.4
249.22192	1.3
255.67159	0.4
265.21582	1.0
293.21198	8.4
294.21533	0.8
307.22818	1.4
310.21460	2.5
325.23825	100.0
326.24191	13.4
399.27429	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01750	1.2
57.03318	2.7
58.00465	4.5
59.01250	100.0
60.01562	0.9
60.25126	0.7
68.27196	0.9
69.62732	0.6
70.23577	2.4
71.01253	64.2
72.01608	1.0
72.99194	5.6
73.02835	2.3
73.15295	0.7
83.01263	3.3
85.02826	10.5
87.00767	3.5
89.02317	69.5
95.01266	4.4
96.95885	1.3
98.20330	1.6
101.02322	42.2
102.02665	0.7
104.38961	0.8
104.39686	0.8
111.08009	1.1
113.02332	22.7
115.00271	3.1
117.03362	1.0
119.03395	33.6
121.10101	3.2
121.10881	0.9
123.08082	0.8
131.03398	3.2
143.03423	4.4
149.04512	1.8
159.84821	0.7
161.02426	0.8
161.04456	2.6
175.02435	7.1
175.03845	1.2
175.14836	13.4
176.15491	0.7
177.12701	0.8
179.05550	5.2
195.01694	0.7
219.13852	26.2
220.14253	2.1
234.26566	0.8
237.14867	5.2
238.15125	0.9
295.06116	4.3
309.07568	1.1
337.07083	1.7
357.17072	0.9
397.90921	0.7
399.10904	2.5
399.20209	62.2
400.20639	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	399.1294
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01748	3.5
57.03326	4.1
58.00451	0.9
59.01246	38.0
67.46524	0.6
69.03320	0.7
71.01252	42.8
71.50452	0.9
72.01627	0.8
72.99179	2.7
73.02814	16.7
73.77225	0.7
74.84098	0.8
75.00747	1.4
78.95782	2.9
79.62577	0.7
83.01254	9.5
85.02818	21.4
85.99944	0.8
87.00749	2.6
89.02330	5.1
89.16311	0.9
95.01265	3.6
97.02831	1.6
99.00758	7.8
101.02316	44.6
102.02640	0.8
102.30898	0.7
111.00782	1.4
113.02323	19.4
119.03390	0.9
120.33920	0.9
121.02847	7.7
129.01793	1.9
143.03400	2.6
152.99490	4.1
159.02882	4.7
159.90657	0.8
161.04460	39.2
162.04739	0.9
171.10167	18.1
179.05594	0.9
205.03473	1.6
215.62204	0.8
251.11325	100.0
252.11601	5.9
257.18954	0.8
332.45172	1.0
399.07523	1.4
399.13202	13.0
400.07385	0.9
400.13858	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.166
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35578	0.5
55.01749	2.6
57.03316	4.6
58.00475	0.8
59.01251	19.6
69.36941	0.5
70.91290	0.5
71.01252	45.6
71.50381	0.6
72.01605	0.7
72.99184	2.2
73.02821	10.8
75.00742	1.7
83.01262	5.2
84.02026	0.8
85.02822	30.3
86.03171	0.5
87.00740	3.6
89.02318	14.5
89.02847	0.9
95.01254	3.6
95.08539	0.8
95.55466	0.5
97.02838	0.9
98.20440	0.6
99.00751	6.1
101.02325	26.3
102.02628	0.6
102.98478	1.6
105.01836	0.7
111.00767	7.7
113.02325	18.2
117.03336	0.7
119.03372	6.5
121.06490	8.5
125.02352	0.6
129.01833	7.5
131.03435	0.9
134.03593	2.7
137.09621	100.0
138.09969	5.9
143.03387	2.5
149.09625	1.0
150.06746	2.4
151.02499	0.6
152.99507	0.9
159.02919	3.7
161.04466	21.1
162.04684	0.6
163.21823	0.6
164.08322	0.5
167.07025	0.7
175.11234	0.5
176.08342	0.7
179.05486	1.8
179.07001	0.9
191.01680	0.5
193.05063	1.1
193.12224	1.5
194.09421	1.8
195.10165	2.1
205.03484	6.6
219.10295	0.7
223.04543	17.7
224.04892	1.1
271.47098	0.6
283.04919	1.1
297.12335	1.0
355.12991	2.2
399.07510	0.7
399.12082	1.4
399.16608	7.0
400.17099	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1298
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97431	0.7
55.01760	4.9
57.03307	3.1
58.00473	1.4
59.01249	54.5
60.01592	0.9
69.03324	0.8
69.87617	4.2
71.01251	53.0
72.01575	1.0
72.99173	4.2
73.02817	16.0
73.03446	0.7
75.00740	0.7
77.24167	0.7
78.95792	0.8
83.01262	9.6
85.02821	27.6
87.00741	3.0
89.02316	15.9
89.05981	0.7
95.01266	3.8
97.02876	1.3
99.00751	6.9
101.02322	48.0
102.02690	1.3
107.04990	1.0
111.00757	1.3
113.02325	21.7
119.03385	6.6
121.02840	11.7
125.02328	1.1
129.01831	1.7
135.04402	1.2
143.03401	3.8
151.00255	1.5
159.02931	3.4
161.04463	32.1
162.04758	1.1
165.01823	1.0
171.10228	3.5
174.01576	1.0
177.09094	1.0
179.05518	1.2
205.03476	1.4
251.11337	100.0
252.11682	4.7
267.10513	1.6
298.04700	0.7
299.55646	0.7
376.50928	0.9
399.07248	1.7
399.12927	10.6
399.21622	0.8
421.17807	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.093
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01744	4.3
55.74009	1.0
57.03322	17.9
59.01241	3.1
61.98688	2.1
63.73447	1.2
69.56785	8.1
71.01247	6.9
72.99171	4.4
73.02816	2.3
75.00741	2.7
83.01247	8.5
84.02038	1.8
85.02821	100.0
86.03136	2.6
89.02294	1.4
89.03804	1.4
98.20068	3.8
98.48719	1.1
101.02307	5.5
111.00768	26.1
117.03349	2.1
129.01822	37.4
130.85701	1.0
134.03644	11.7
158.25461	1.1
161.04422	2.6
187.02379	1.9
193.05017	5.6
205.03459	25.9
223.04536	20.1
225.40724	1.4
368.90842	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	399.0931
Annotation	Unknow
Peak:m/z	Relative Intensity
54.54873	1.6
55.01754	4.3
57.03324	16.1
59.01254	4.1
68.99674	1.7
70.00607	6.9
71.01257	8.7
71.01591	1.5
72.99183	2.2
73.02798	2.0
75.00732	3.0
76.61024	1.5
83.01257	12.4
84.02023	2.5
85.02821	95.3
85.99853	1.9
86.03175	1.6
87.00750	2.3
88.86471	1.5
97.29075	1.9
98.19966	2.1
99.00794	2.5
101.02316	8.1
104.04672	1.6
106.30705	1.7
111.00758	33.8
115.91923	1.5
117.03323	2.1
119.48353	1.6
129.01834	33.2
130.02072	1.6
134.03621	18.1
137.09587	5.3
142.29791	1.7
147.02858	2.3
149.05965	2.1
161.04440	2.8
187.02406	2.1
191.01826	2.0
193.05006	11.8
195.10223	2.0
205.03456	36.7
223.04549	100.0
224.04907	5.1
387.42017	2.0
389.67654	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	399.0931
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01758	4.6
57.03327	16.7
57.94177	1.3
59.01243	1.9
62.48830	1.6
67.01756	1.7
67.12238	1.2
70.89294	3.6
71.01243	7.8
72.99184	1.9
73.02820	2.2
75.00751	1.6
77.82764	1.2
83.01261	10.0
84.02055	2.3
85.02821	100.0
101.02337	5.1
111.00757	28.1
112.01136	2.0
117.03353	1.5
129.01826	43.7
134.03632	17.5
149.05917	2.2
151.03917	1.7
161.04422	2.4
162.03149	4.0
169.92165	1.4
179.03433	1.3
180.04211	11.7
193.05000	14.4
195.06563	15.6
196.06938	1.6
205.03490	23.2
223.04536	18.6
293.77698	1.4
340.26996	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	399.0932
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	2.4
57.03326	16.4
59.01245	12.8
61.98684	9.0
66.99132	2.3
67.01762	2.1
71.01254	10.2
71.49747	3.5
72.99178	2.9
75.00726	6.5
83.01253	10.4
84.02028	2.8
85.02819	93.4
87.00745	2.7
89.02319	5.5
92.23147	2.2
101.01640	2.2
101.02315	9.4
111.00751	38.1
114.98492	3.7
126.07938	2.5
129.01826	30.4
134.03622	13.7
161.02415	10.9
161.04472	3.6
179.59557	2.4
193.04938	4.9
205.03433	34.8
206.03879	2.7
223.04543	100.0
224.04851	6.2
237.04031	2.7
253.03735	5.1
330.13162	2.0
399.06345	3.9
399.15021	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	398.1752
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48373	1.2
54.03319	1.1
59.01240	5.1
71.01246	1.8
74.02348	11.0
83.71489	1.3
96.03178	4.2
97.03938	13.0
101.07114	1.3
109.03961	1.3
111.05526	4.1
122.04723	1.5
125.07078	4.0
127.07560	1.3
153.61772	1.3
160.00655	1.3
169.06105	1.5
169.12164	1.4
177.70485	1.5
218.15541	2.3
219.14894	2.3
220.17172	1.4
224.16415	1.6
233.16519	4.9
234.14778	1.5
236.16437	3.1
246.14880	3.6
249.19690	3.9
250.17976	1.4
261.16037	3.4
264.16104	1.8
269.15833	7.8
275.17581	9.5
293.18707	75.7
294.19070	6.8
319.16733	2.1
320.19791	5.2
337.17664	100.0
338.17999	9.7
346.17548	6.0
364.18799	2.9
371.16443	77.3
372.16730	7.0
380.16251	3.7
389.78134	1.8
398.17148	8.6
399.17783	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	398.1753
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37198	0.9
56.46306	1.1
59.01239	2.9
70.20700	3.4
70.21112	2.0
71.01274	2.2
74.02339	11.3
78.95770	1.8
95.02308	1.0
96.03165	8.8
96.03719	1.4
97.03961	13.1
101.07027	1.2
103.10567	1.4
111.05517	6.7
113.05993	1.3
114.61186	1.2
116.01630	1.2
121.05259	1.6
122.04770	1.9
123.05466	1.0
125.07127	5.6
125.07887	1.2
127.07510	1.2
135.05489	1.1
141.09184	1.2
148.25238	1.2
148.91904	1.0
160.00732	1.6
165.12755	2.2
169.06073	3.5
169.12239	1.9
182.13071	1.5
195.13844	1.3
197.11864	1.6
201.09535	1.6
218.15427	1.9
219.14993	3.6
220.17101	1.3
224.16438	1.5
233.16516	5.0
234.14857	3.1
236.16493	3.9
246.14919	3.7
249.19705	6.8
261.15967	5.8
262.14258	1.2
264.16092	3.3
275.17661	13.2
279.16867	1.5
293.18701	95.4
294.19025	9.5
304.22058	1.2
319.16431	3.7
320.19760	9.2
325.17572	1.6
327.17776	1.4
337.17679	100.0
338.17886	10.2
346.17648	9.6
347.17963	1.9
364.18845	6.3
371.16428	76.9
372.16733	9.9
374.74915	1.2
380.16376	4.5
398.17557	32.2
399.17899	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	397.2593
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01240	5.0
61.45731	0.6
69.39786	2.0
69.40213	1.9
71.01236	0.8
75.11690	0.6
79.95597	0.7
85.15049	0.5
96.95886	6.7
99.61623	0.5
117.01767	0.8
122.97485	0.6
244.40065	0.6
279.23264	100.0
280.23590	10.6
397.22269	7.6
398.22989	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	398.1354
Annotation	Unknow
Peak:m/z	Relative Intensity
54.63329	0.9
59.01250	100.0
60.01587	12.3
61.01674	18.2
68.01302	2.3
70.24957	1.0
71.01238	4.8
71.50683	1.4
73.02817	1.2
84.27937	1.1
85.02833	1.9
99.47424	1.1
101.02320	1.3
110.02380	1.3
113.02322	1.2
124.36444	1.0
147.04391	2.6
148.04721	1.4
161.04475	1.8
226.73096	1.0
230.06697	1.0
231.06850	1.4
232.07138	2.1
399.07297	1.6
399.12964	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.1753
Annotation	Unknow
Peak:m/z	Relative Intensity
54.34794	1.3
59.01242	5.4
61.98706	2.9
69.27073	8.3
69.27485	3.6
74.02348	7.0
80.66619	1.3
82.30145	1.5
85.02807	2.8
96.03172	4.9
97.03940	12.7
106.56391	1.4
111.00821	1.6
111.05521	2.8
113.25253	1.4
122.04749	1.7
125.07104	5.8
134.04790	1.6
159.27859	1.3
160.00618	1.8
161.20226	1.3
169.12256	1.9
201.09531	1.5
218.15350	1.7
219.14919	2.0
233.16589	4.1
234.14897	2.9
236.16493	3.0
246.14883	3.0
249.19707	4.0
261.16092	5.4
262.14563	2.2
264.15945	2.7
275.17560	8.5
291.07645	1.6
293.18695	86.0
294.18976	9.1
319.16516	2.8
320.19717	6.2
337.17661	100.0
338.17935	9.6
346.17639	7.9
364.18701	5.6
371.16440	63.2
371.20474	1.3
372.16815	7.8
380.16418	6.0
398.17508	21.2
399.17838	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	397.15
Annotation	Unknow
Peak:m/z	Relative Intensity
53.65146	0.7
59.01250	100.0
60.01585	1.8
66.81787	0.7
70.46014	0.6
71.01263	1.2
71.51769	1.1
85.02828	1.1
85.61959	0.8
127.58920	0.7
235.97360	0.9
269.88681	0.8
284.80429	0.7
301.23685	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1503
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	2.3
55.10701	0.8
57.03316	2.3
59.01250	7.9
68.99683	1.4
69.03336	1.6
69.20866	1.6
69.21275	7.4
71.01251	8.9
71.04884	0.8
72.99177	2.9
73.02816	1.3
75.12012	0.7
78.95770	1.1
81.03297	1.3
83.01250	5.1
83.04906	3.5
85.02821	4.2
87.00783	1.9
89.02334	1.3
93.03339	1.1
95.04903	2.2
97.02850	1.9
97.06486	1.5
98.19789	1.6
99.00749	3.4
99.04410	1.1
101.02334	1.8
103.32450	0.9
108.02040	1.7
109.06503	1.5
110.03683	1.0
110.16202	1.0
111.00785	1.3
111.04375	0.9
112.98705	0.9
113.02332	2.8
117.03320	9.6
117.03958	0.8
121.02843	0.8
121.06483	1.1
122.03631	1.5
124.01545	2.0
124.98699	10.3
125.02285	1.0
125.09624	0.9
127.00207	1.0
131.01306	4.2
131.89526	0.8
135.08018	1.2
136.05191	1.1
137.02336	0.9
138.03119	1.1
139.00284	1.0
141.98959	1.3
142.99756	33.2
143.00867	1.9
144.00067	1.4
152.99487	1.1
154.99762	30.5
156.00073	1.0
163.03990	1.1
164.04715	1.4
171.10147	1.2
172.00095	1.3
173.00856	28.0
173.02333	5.4
175.00279	13.2
179.14276	1.1
185.11833	0.8
189.12758	0.9
195.13811	4.0
207.13959	1.1
211.13322	1.8
217.15860	1.3
223.13377	4.8
229.14458	1.3
233.11853	1.3
233.15329	2.6
249.05605	1.0
249.14963	6.3
251.12863	2.0
251.16521	2.2
259.13379	6.5
261.11285	1.1
261.14954	2.7
263.16382	1.2
265.05093	1.4
267.16046	4.6
269.15710	1.3
277.14453	4.1
279.12375	6.4
279.15363	1.2
280.12634	1.6
287.16455	1.6
293.04538	96.6
294.04904	8.8
295.11951	1.8
295.15460	2.1
305.17551	1.7
323.05640	1.1
323.11508	10.5
323.15039	1.7
324.11905	1.4
367.13940	100.0
368.14322	10.4
378.27020	1.0
397.09241	47.2
397.14960	24.3
398.09598	6.7
398.15012	2.0
398.20096	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	397.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01742	4.3
57.03307	2.8
58.00459	3.9
59.01250	100.0
60.13895	2.2
60.27752	2.0
61.98705	16.6
68.23650	1.9
69.03326	8.0
71.01251	96.0
71.50271	3.5
72.99166	8.6
73.02824	20.6
74.42613	1.8
78.95750	2.4
81.03336	4.1
81.51296	2.2
83.01252	8.3
83.38094	1.8
85.02837	19.3
87.00743	17.6
89.02319	74.5
91.03308	2.2
91.03854	3.3
93.24828	1.8
93.64230	2.2
95.01253	4.3
97.02287	2.2
97.02815	16.6
99.00752	6.5
100.43411	1.8
101.02325	82.8
109.02871	2.4
111.04425	2.9
112.38001	2.1
113.02332	34.9
115.03930	2.0
119.03381	28.8
121.02809	3.0
125.02343	30.1
127.69693	2.0
128.07726	1.9
131.03340	2.5
133.04941	5.7
141.01836	2.4
143.03427	9.7
161.04495	16.9
163.02718	2.1
165.09100	2.4
179.05511	6.2
185.04427	2.3
189.67455	1.9
217.07057	2.9
221.06622	4.3
235.08212	20.0
299.10339	6.0
305.08731	3.4
323.22406	17.4
386.70132	3.0
397.08435	4.8
397.13492	82.9
398.13818	7.1
411.22592	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	397.135
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52706	1.2
55.01754	5.2
55.02012	1.3
57.03336	3.2
57.97454	1.4
58.00468	4.8
59.01249	100.0
60.01574	1.5
61.98679	1.9
69.03323	6.2
71.01252	84.4
72.99195	6.9
73.02815	23.1
73.15793	1.2
75.00753	2.1
77.35629	1.3
80.81960	1.3
81.03337	4.1
83.01247	12.8
85.02822	19.7
87.00750	15.6
89.02314	71.3
91.03876	2.5
95.01264	6.9
97.02824	18.6
99.00775	5.9
101.02319	69.7
102.02621	1.7
103.03885	3.0
111.04392	3.3
113.02328	31.3
115.03909	2.2
119.03383	22.1
121.02811	1.6
124.01549	1.8
125.02332	24.6
131.03375	3.6
133.04982	5.8
137.02307	1.7
139.03865	3.1
143.03398	8.6
149.04457	2.5
161.04448	14.8
169.04974	2.9
179.05560	5.8
217.07156	2.4
221.06657	4.6
235.08173	24.0
245.06717	1.6
263.07678	1.6
277.09402	2.4
305.08905	1.7
361.11511	2.5
379.12585	2.2
391.93427	1.5
397.13510	72.9
398.13739	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	397.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22911	1.1
55.01751	4.7
57.03319	3.5
58.00467	4.4
59.01249	100.0
61.98701	33.1
69.03318	6.7
71.01252	96.3
71.50123	1.2
72.01585	1.3
72.99180	8.1
73.02820	18.9
75.00745	2.8
81.03321	4.8
83.01247	9.7
83.04916	1.8
85.02814	18.9
85.99992	1.3
87.00757	17.0
89.02319	74.1
90.02654	1.2
91.03867	1.7
93.03327	2.3
95.01258	5.8
97.02822	17.9
99.00742	6.0
101.02321	71.2
102.02670	2.2
103.03898	2.5
109.02856	1.7
111.00771	2.8
111.04374	4.5
113.01527	2.3
113.02329	32.9
114.02689	1.2
115.03843	1.6
119.03381	27.6
119.04152	2.2
121.02789	1.8
123.04417	1.7
124.01527	1.6
125.02334	22.5
131.03407	3.4
133.04956	4.2
139.03928	3.6
143.03368	11.2
146.63425	1.2
149.04506	1.6
149.05952	2.7
161.04449	10.3
166.53732	1.2
169.04980	3.3
179.05492	6.4
202.09888	5.6
203.05470	1.9
217.07176	4.1
221.06613	5.2
235.08171	25.6
253.09288	1.7
277.09308	1.2
291.19751	2.4
299.46762	1.2
305.08701	2.8
310.07462	1.3
323.09830	1.7
323.22195	6.8
334.40311	1.2
379.12576	1.7
397.13495	80.0
398.13748	9.0
398.24274	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	397.0929
Annotation	Auramycinone
Peak:m/z	Relative Intensity
59.01241	0.3
59.64526	0.1
63.04391	0.1
65.00198	0.1
67.67490	0.1
71.01238	0.2
71.50741	0.1
72.99210	0.1
75.02250	0.1
78.95772	0.6
81.03287	0.1
83.01286	0.1
93.03307	0.1
99.00743	0.1
101.02302	0.1
101.12201	0.1
103.01770	0.7
111.66779	0.1
113.02312	0.1
116.44426	0.1
117.03345	12.6
118.03692	0.6
126.64899	0.1
131.01285	4.5
132.01631	0.1
135.04453	0.1
137.02367	0.2
145.02821	0.3
147.00789	0.3
149.02345	0.1
151.00331	0.1
152.99489	0.8
157.01352	0.1
159.04364	0.1
161.02344	0.2
163.03915	1.1
171.04439	0.1
173.02357	6.6
174.02673	0.3
175.00281	14.4
176.00601	0.7
185.02380	0.2
189.01840	0.1
193.01443	0.4
193.06512	0.6
195.04500	0.1
197.06030	0.1
207.02831	0.1
208.05222	0.1
209.06039	0.3
220.05214	0.3
221.06041	0.6
225.05562	0.1
235.03929	0.1
236.04710	0.1
237.05574	0.7
239.07158	0.1
248.04773	0.2
249.05557	1.0
250.06044	0.2
251.03474	0.4
264.04202	0.3
265.05011	0.9
266.05481	0.1
269.04483	0.4
275.03452	0.2
277.05212	0.2
278.05884	0.1
281.04477	0.1
282.05109	0.2
291.03000	0.1
291.06256	0.1
292.03769	0.2
293.04544	100.0
294.04895	9.9
294.08377	0.1
295.02606	0.1
295.06030	0.1
306.05429	0.2
307.06030	0.2
311.05618	0.3
323.05600	0.2
335.05524	1.0
336.05850	0.1
367.14020	0.1
397.09268	41.8
398.09583	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	396.2003
Annotation	Unknow
Peak:m/z	Relative Intensity
55.49089	0.3
55.75714	0.2
56.58712	0.3
59.01247	2.1
61.98698	100.0
63.84040	0.2
63.99122	0.5
70.10189	1.1
89.50005	0.3
128.04976	0.3
172.53595	0.3
201.68269	0.3
296.09839	0.5
311.22153	0.4
323.19052	0.3
323.22006	1.4
353.03867	0.3
396.19952	2.5
397.20407	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.0926
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33459	0.1
57.03319	0.2
59.01246	1.7
65.00205	0.2
66.18555	0.1
70.79252	0.2
71.01243	0.4
72.99179	0.2
73.02829	0.2
75.02254	0.2
78.95776	2.0
83.01270	0.2
85.02831	0.3
87.00752	0.1
89.02298	0.2
91.01759	0.3
93.03343	0.1
95.01211	0.1
96.95885	0.2
96.96834	0.2
99.00729	0.1
101.02321	0.2
103.01768	1.2
113.02306	0.1
113.20345	0.1
117.03317	0.2
119.01267	0.2
131.01280	8.0
132.01645	0.3
133.06456	0.1
137.02328	0.2
142.99806	0.6
145.02837	0.2
147.00790	0.9
152.99493	2.8
154.99748	0.3
165.06982	0.2
171.00566	0.1
172.82951	0.1
173.00836	0.5
173.02155	0.1
175.00281	20.3
176.00591	1.0
177.07030	0.2
193.01320	0.5
193.06554	0.7
195.04442	0.2
204.05890	0.2
205.06535	0.2
211.13463	0.1
215.66365	0.1
220.05209	0.1
221.06044	1.0
223.13388	0.2
223.16869	0.2
233.06007	0.2
239.07028	0.3
248.04823	0.4
249.05426	0.5
249.14993	0.2
251.16559	0.2
253.04988	0.4
259.13254	0.1
261.14920	0.2
263.07193	0.1
265.04987	0.3
275.07037	0.1
277.05042	100.0
278.05374	10.6
279.06635	0.3
279.12424	0.2
281.04428	0.2
291.06622	0.3
293.04581	0.3
295.06079	0.3
305.17404	0.1
307.06076	0.3
319.06076	1.3
319.15460	0.1
320.06271	0.1
323.11215	0.2
337.07117	0.2
365.13712	0.4
367.14041	1.8
397.09271	0.7
397.14972	2.4
397.22580	0.1
398.15692	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.1661
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93981	0.9
57.03314	2.1
58.03573	1.0
58.26849	0.9
59.01249	92.0
61.98708	1.3
68.01276	1.5
71.01253	13.2
71.18640	1.5
72.99178	1.7
73.02842	1.6
83.01262	2.8
85.02827	17.5
87.00749	30.7
109.85947	1.0
110.02353	1.9
111.00782	2.3
112.98662	1.2
113.02325	2.7
115.00245	29.7
116.00603	1.2
127.00193	1.0
129.01857	2.7
143.31873	1.0
147.04411	3.1
157.01326	21.1
161.04431	1.7
175.02399	15.7
183.13841	7.1
188.05548	1.3
193.12283	2.2
203.05568	1.4
211.13330	100.0
212.13615	7.8
230.06691	3.1
248.09177	1.1
369.15521	80.4
370.15878	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	396.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25024	0.3
55.02369	0.3
55.16983	0.3
57.79408	0.4
59.01250	10.3
67.17566	0.3
69.30994	0.4
69.31310	3.5
71.01247	1.0
74.20499	0.3
74.72272	0.3
93.03396	0.4
101.02332	0.8
111.08482	0.3
119.04913	100.0
120.05249	3.9
123.04358	0.8
147.04396	0.5
161.04494	0.7
164.04721	0.5
179.07062	0.5
234.11423	0.5
276.10989	0.7
353.30551	0.4
396.16623	6.7
397.17633	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.1873
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	100.0
60.01580	1.4
61.98699	43.3
63.54536	0.5
71.01256	0.9
71.49935	0.6
71.64707	0.5
75.64653	0.5
96.95903	2.2
97.31784	0.5
115.75757	0.5
127.97609	0.6
129.35229	0.5
396.20331	1.2
396.24933	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.2003
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	1.6
61.98699	100.0
70.07978	0.5
70.08369	0.4
71.01262	1.4
73.02825	0.3
81.51589	0.2
85.02799	0.4
87.00776	0.3
89.02320	1.1
97.02831	0.4
101.02334	1.1
113.02359	0.6
119.03387	0.3
120.55915	0.2
121.42869	0.2
125.02359	0.6
127.07646	0.3
161.04402	0.2
162.04990	0.2
165.12848	0.3
195.13887	0.5
223.13297	0.2
235.08258	0.4
247.20641	0.2
259.38293	0.2
289.48434	0.2
291.19653	3.2
293.21194	0.3
311.22232	4.2
312.22812	0.4
323.22250	5.1
331.01547	0.3
333.20557	1.6
381.79678	0.2
396.19974	4.5
397.13657	1.4
397.20078	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.1296
Annotation	Unknow
Peak:m/z	Relative Intensity
57.61191	0.6
59.01247	100.0
60.01591	1.0
68.01287	1.4
69.14658	6.6
71.01262	2.5
73.02814	0.8
73.86948	0.8
83.01277	0.8
85.02840	0.9
98.19820	1.2
101.02349	0.9
110.02374	2.2
135.04449	1.1
147.04428	3.2
161.04471	1.9
161.81357	0.7
188.05615	1.0
203.05545	1.8
230.06635	3.4
276.08813	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	396.1296
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05924	0.6
59.01247	100.0
60.01567	1.6
68.01294	1.4
69.88417	2.8
71.01255	2.0
85.02796	0.9
86.30477	0.7
101.02341	1.4
110.02404	1.6
110.21638	0.7
113.01188	0.7
131.11993	0.6
135.04448	0.7
147.04465	3.1
149.65919	0.7
161.04495	2.5
168.88507	0.6
171.17699	0.8
203.05556	1.4
230.06664	3.4
258.22916	0.7
404.80225	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.1298
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	100.0
60.01596	1.2
68.01293	2.4
70.78955	0.9
70.79299	1.0
71.01255	2.4
73.02811	0.9
75.94062	0.5
85.02818	1.4
101.02335	1.0
110.02351	1.0
113.02326	0.7
125.02345	0.6
135.04485	0.7
147.04425	2.7
161.04510	2.6
203.05562	1.1
230.06679	3.0
267.86447	0.6
276.08813	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.2363
Annotation	Unknow
Peak:m/z	Relative Intensity
56.88373	0.2
59.01237	0.4
61.98700	9.6
62.96261	0.3
68.02405	0.2
71.49230	0.4
74.41025	0.3
76.66686	0.3
78.95772	100.0
96.96843	3.1
97.52490	0.3
312.22614	0.6
316.19669	0.3
380.74551	0.3
394.23581	22.1
395.24109	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	395.2437
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	22.1
59.62850	0.3
68.01275	0.7
70.09381	0.8
70.09790	0.7
71.01247	1.3
73.02792	0.4
78.95792	1.9
85.02814	0.5
89.18989	0.3
89.32760	0.4
109.48301	0.3
117.01814	0.9
135.02902	1.1
147.04373	0.7
152.99490	2.8
203.05495	0.6
230.06676	0.8
239.31929	0.3
259.20639	0.4
277.21713	100.0
278.22052	11.1
382.46075	0.3
395.24255	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	396.0236
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01233	13.5
68.87498	8.9
69.54810	17.1
69.55205	53.0
77.21973	7.8
80.96394	10.5
85.84945	8.2
96.95889	100.0
97.31063	8.8
176.98566	28.3
194.61626	8.6
396.05948	28.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.1838
Annotation	Unknow
Peak:m/z	Relative Intensity
53.24792	0.1
59.01240	0.4
61.98700	100.0
69.14970	1.0
69.15390	0.9
78.95755	0.3
93.45367	0.2
96.95901	0.3
97.02875	0.5
221.95320	0.2
256.19507	0.2
261.11160	0.8
262.11826	2.0
262.50790	0.2
291.19751	0.8
292.67508	0.2
309.20728	3.5
310.21191	0.4
325.10104	0.9
331.18848	2.1
334.20963	0.3
339.20584	0.2
343.74487	0.2
349.68063	0.2
394.18427	3.6
395.18915	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.1141
Annotation	Unknow
Peak:m/z	Relative Intensity
55.31549	0.9
57.03315	1.0
59.01251	7.4
61.98674	1.1
68.99686	37.4
70.00020	1.3
71.00853	1.8
71.01249	44.1
73.02817	46.5
74.03159	1.3
83.01260	5.6
85.02822	18.7
87.00739	1.1
89.02311	2.1
94.56252	0.9
95.01265	3.0
97.02831	1.8
99.00753	100.0
101.02317	24.7
113.02325	18.6
115.03938	1.0
117.01810	2.6
131.03621	1.2
135.04391	1.1
143.03386	4.2
147.04414	8.8
158.06050	2.2
159.02882	3.5
161.04459	94.3
162.04773	3.0
185.63084	0.9
188.05545	13.4
205.03416	3.7
294.09900	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2757
Annotation	Unknow
Peak:m/z	Relative Intensity
53.48114	0.8
57.52786	0.8
58.02568	1.8
58.02847	30.8
59.01239	3.6
64.32346	0.8
69.56065	3.3
69.56494	2.5
70.02470	1.9
70.02849	32.4
71.02367	5.3
85.91596	0.9
87.05498	5.2
95.02384	2.3
96.00783	36.6
102.04032	0.9
102.88638	0.8
110.78996	0.9
113.03454	21.0
114.01849	56.0
115.02209	1.5
131.04509	29.9
148.75873	0.9
278.24884	9.2
279.25162	1.3
304.26385	4.1
311.16876	2.9
331.27618	2.2
332.25943	1.4
349.28336	4.6
375.26486	66.5
376.26877	8.1
393.27548	100.0
394.27847	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	393.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
56.57182	0.8
59.01248	100.0
71.01259	1.6
71.50321	1.1
73.02792	0.8
75.91019	1.0
89.02310	1.1
91.14632	1.0
96.95902	1.4
100.87847	0.8
101.02298	1.4
107.34374	1.0
111.23471	1.0
167.29434	1.3
169.03075	1.0
198.40253	0.9
204.73535	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2258
Annotation	Unknow
Peak:m/z	Relative Intensity
54.17450	1.0
57.03330	2.4
59.01248	24.3
61.98698	5.0
69.03340	1.5
70.61165	2.8
71.01268	1.5
72.14809	1.0
83.04902	1.6
96.21259	1.1
96.95892	1.2
99.08036	3.3
99.92453	3.0
113.09609	9.5
121.06507	1.3
129.09117	7.8
139.11166	1.7
147.11688	2.8
149.09631	1.7
149.22887	1.1
151.11182	3.1
153.12718	1.3
165.12724	5.4
169.12277	1.9
171.10226	5.2
181.12238	5.2
183.13785	2.4
187.99113	1.0
193.12239	1.5
197.11742	8.9
199.13319	5.4
201.67836	1.2
207.09947	2.6
211.13326	18.2
215.10498	4.4
219.09979	21.2
231.10028	1.4
233.11546	48.7
234.11821	1.5
249.13426	1.7
251.11249	5.0
275.20157	2.9
289.17816	1.4
293.12534	6.9
293.21182	11.6
294.21686	1.2
311.22278	100.0
312.22595	9.1
315.19455	6.5
333.20483	25.7
334.20731	1.6
377.19336	6.0
393.21860	8.2
394.22510	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	393.2256
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	28.7
61.98711	14.5
61.98975	2.8
63.16891	2.3
69.17472	7.0
69.17892	22.4
78.95757	3.5
98.35093	2.2
103.38111	2.3
113.09631	2.7
129.09119	3.8
131.01108	2.6
139.11264	4.8
144.34648	2.5
147.11684	5.0
165.12769	3.3
169.12302	4.8
171.10109	3.7
181.12236	4.6
182.26456	3.0
193.08417	5.6
197.11772	9.9
199.13351	5.7
204.30844	2.4
211.13373	14.2
215.10527	7.3
233.11549	87.4
234.11932	5.7
251.11459	7.4
293.12466	7.6
293.21246	14.5
311.22269	100.0
312.22672	9.9
333.20364	8.4
393.22293	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	393.207
Annotation	3,5-Dihydroxy-4-geranylbibenzyl-2-carboxylic acid
Peak:m/z	Relative Intensity
59.01231	2.7
69.59981	3.8
71.49084	0.7
81.03350	1.0
98.20596	1.0
107.04311	0.9
107.04916	8.7
111.56628	0.7
119.04897	2.5
135.04422	16.2
136.04878	1.0
140.38924	0.8
149.02353	1.0
157.06467	2.4
171.08046	1.8
177.12726	3.0
189.09052	2.5
195.08012	1.2
213.09195	1.5
215.07062	2.7
225.09154	11.9
226.09914	7.5
227.10643	3.1
227.14343	1.1
237.09149	2.9
239.10699	1.0
250.21977	0.7
251.07005	1.4
261.12799	5.3
262.13312	1.0
265.08658	1.2
265.12164	0.9
267.13895	1.0
269.08173	1.3
279.13947	1.1
305.11786	1.2
305.19046	8.8
306.19360	1.5
331.20709	3.0
349.21713	22.1
350.22113	3.0
375.19620	40.8
376.19952	6.4
393.20691	100.0
394.21085	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	393.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01755	1.8
56.05202	0.7
56.08426	0.6
57.03322	1.6
58.00470	5.8
59.01248	100.0
60.01565	0.9
63.35982	0.6
69.03339	2.1
69.15613	4.6
69.16039	3.0
71.01252	67.7
72.01582	1.4
72.99184	8.7
73.02814	28.5
75.00746	1.1
77.86478	0.7
83.01247	5.9
85.02823	17.9
85.99987	2.0
87.00748	10.5
87.04395	3.6
87.68169	0.8
89.02313	62.5
95.01279	2.7
97.02822	2.0
97.03439	0.6
99.00758	1.4
101.02319	68.9
102.02678	1.7
103.03882	21.5
105.33512	0.8
113.02336	18.8
113.03082	1.4
115.03893	4.9
116.17552	0.7
119.03387	29.5
125.02350	3.2
127.03914	2.7
131.03387	11.8
143.03404	15.4
145.04968	8.9
146.06061	1.5
149.04448	0.9
151.03836	0.8
161.04442	3.3
163.06023	48.4
164.06422	2.5
179.05540	9.1
189.03951	1.0
190.05009	1.5
205.07111	29.5
206.07442	2.0
232.06190	0.8
243.18715	0.9
265.09253	1.7
345.13678	0.9
393.17648	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	393.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01764	4.0
57.03054	1.2
57.03320	18.9
59.01244	9.5
60.28165	0.7
66.16895	0.7
67.01771	1.8
68.77399	0.7
69.80210	0.8
70.90076	0.7
70.90418	1.6
71.01244	8.2
72.99179	2.1
73.02823	1.4
75.00753	1.4
83.01246	9.6
84.02042	3.1
85.02819	100.0
86.03169	1.9
87.00765	0.8
89.02306	1.4
95.93451	0.9
96.95899	0.8
99.00755	1.4
101.02339	5.7
106.95174	0.7
111.00759	31.5
113.02305	1.0
120.99529	1.1
129.01826	52.6
130.02144	1.8
131.17264	0.8
142.89674	0.8
161.04515	3.6
163.02188	0.9
187.02431	2.7
187.13304	10.7
194.47392	0.8
205.03465	36.0
206.03786	1.6
209.05949	1.3
223.04564	4.6
224.04887	0.9
225.05513	1.7
227.07085	3.2
239.92964	0.8
253.05052	1.8
255.16048	0.9
271.06128	5.9
312.12943	0.8
321.05093	0.9
375.16302	0.8
392.27448	1.0
393.06323	0.9
393.16849	4.6
393.21350	2.8
393.27609	1.5
394.14063	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	3.2
56.42459	0.7
56.67901	0.8
57.03320	14.8
59.01248	3.9
64.23585	0.6
67.01743	1.5
67.89922	0.6
68.99696	1.0
69.39548	5.0
69.39964	1.3
71.01254	5.8
72.99173	1.2
73.02817	1.8
75.00745	1.6
83.01257	8.4
84.02040	1.9
85.02822	100.0
85.84657	0.6
86.03150	2.4
87.00753	1.1
99.00762	1.0
101.02307	4.2
103.03873	0.9
110.01672	0.7
111.00764	34.1
112.01073	1.3
129.01825	56.5
130.02118	1.5
160.03928	2.7
161.04478	4.0
175.02602	0.8
178.05002	3.1
187.02429	3.0
187.13350	10.1
190.04996	0.9
205.03471	37.0
206.03836	1.0
223.04564	4.2
229.60165	0.9
255.16029	1.0
393.08524	0.7
393.17285	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	392.3169
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	1.9
63.54471	0.7
71.50559	0.8
71.50960	0.9
84.46490	0.7
93.11083	0.8
111.05590	0.7
114.88972	0.7
128.10698	2.2
130.08626	100.0
131.08969	3.8
158.31464	0.7
234.26711	0.7
256.23621	3.5
311.91214	0.8
348.32874	1.0
378.21445	0.8
392.31686	58.8
393.32095	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	393.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72496	1.0
55.01757	2.6
55.72860	0.9
57.03320	15.7
59.01242	12.5
71.01264	6.6
71.50370	1.8
72.99174	2.4
73.02812	3.0
75.00742	1.0
77.00912	0.9
77.15208	1.0
83.01261	7.6
84.02035	1.9
85.02818	100.0
86.03152	1.8
87.00746	1.2
89.02328	1.2
99.04390	2.5
101.02324	6.9
111.00757	26.4
125.02304	1.3
129.01822	49.0
141.12836	1.4
161.04439	2.2
168.68452	1.1
187.02361	1.5
187.13292	7.7
205.03442	32.4
206.03711	1.8
223.04422	5.5
227.07123	1.2
233.30377	1.0
249.13403	1.5
255.16032	1.1
271.06213	2.4
287.11246	1.3
379.72635	1.2
393.17477	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	392.1687
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	0.9
61.98700	100.0
75.37330	0.2
77.03288	0.2
96.95931	0.2
143.51472	0.2
166.25484	0.2
209.11832	0.6
289.18109	0.3
307.19193	0.2
371.62888	0.2
392.16849	2.6
393.17203	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
57.45636	2.7
59.01244	13.5
61.98700	100.0
78.95794	4.6
87.18044	3.1
96.95936	3.2
107.75112	2.9
123.64474	3.2
179.26317	2.9
184.74123	3.1
242.20532	2.8
242.81264	3.3
304.19980	3.8
392.24402	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	391.2096
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01721	0.9
57.03304	1.3
57.76531	0.8
59.00962	1.5
59.01247	26.1
61.98666	1.0
65.07373	1.0
69.03319	1.9
70.42464	3.4
83.04910	1.8
94.85602	0.9
96.95873	1.4
97.06460	1.3
99.00755	1.2
99.92461	2.1
109.06493	1.0
111.08035	18.4
119.08543	1.0
121.02810	2.7
127.07526	1.1
135.04425	2.0
147.11696	4.8
151.11145	1.1
153.12766	1.4
165.12766	5.8
167.10648	1.6
169.12233	6.5
179.10652	1.2
181.12224	1.5
191.10738	1.6
192.11548	0.8
193.12251	1.0
197.11751	63.8
198.12196	4.2
199.13330	1.9
205.12053	2.0
211.13351	5.2
215.10466	9.7
219.09938	4.5
227.12857	1.9
233.11543	100.0
234.11893	6.6
249.09825	1.2
251.11427	2.5
263.20123	2.3
279.10706	1.2
279.29788	0.9
291.19647	10.5
292.19836	1.6
293.12424	8.6
294.12781	1.4
305.04663	1.1
309.20712	41.9
310.20972	6.0
313.17722	1.5
319.22720	1.8
329.21069	3.2
331.18985	6.2
345.20581	1.2
347.22205	16.4
348.22473	1.2
363.21765	3.1
373.19916	5.1
391.20978	10.1
392.20749	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	391.2098
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53592	1.7
53.81688	1.5
57.03321	2.7
59.01252	37.0
69.03324	2.9
71.49979	2.7
95.04919	1.6
97.06479	2.3
99.92453	3.4
109.06504	2.4
111.08041	49.7
112.08334	1.6
116.92772	2.1
125.09620	6.8
126.09994	2.1
134.09651	4.7
135.09987	2.5
147.11647	2.8
151.11197	6.4
153.12758	2.1
160.07573	6.6
161.07893	3.3
165.12773	4.7
169.12244	7.7
171.38513	1.6
181.12262	2.9
197.11760	100.0
198.12126	6.0
199.13339	4.7
202.12424	3.7
203.12637	3.1
204.83771	1.5
211.13290	9.7
215.10405	4.3
219.09969	85.4
220.10326	4.6
224.14677	1.6
233.11551	43.7
234.11920	3.0
242.19141	2.2
243.19379	4.1
249.09804	1.8
249.13405	3.2
251.11368	6.7
263.20139	4.4
287.16226	1.8
291.19635	18.4
292.20163	1.9
293.12424	10.8
304.19193	3.0
305.04691	2.9
305.19543	14.1
309.20694	80.0
310.20914	8.5
313.17892	2.6
323.05838	1.7
331.18878	27.0
332.19205	2.9
373.22189	2.1
375.17780	4.2
391.23544	38.6
392.23831	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	391.2097
Annotation	Unknow
Peak:m/z	Relative Intensity
58.80714	8.6
59.01247	65.7
71.01247	12.6
71.50046	17.8
80.91528	12.8
96.95894	13.8
97.02801	22.5
99.92461	100.0
115.91965	43.8
116.92748	13.5
117.38120	10.5
201.91516	10.0
260.83026	9.9
261.11035	24.3
262.11929	63.9
309.20660	14.8
331.18463	71.7
373.10968	42.5
374.11850	25.8
391.12354	10.0
391.21408	18.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2098
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22209	0.9
59.01248	14.9
61.98703	4.4
64.93070	1.0
69.03327	1.1
69.71387	0.9
70.02676	1.9
70.03066	2.9
70.44880	1.0
71.01250	2.3
97.02837	2.1
97.62308	1.0
99.92477	1.9
111.08021	3.6
121.02818	1.4
125.09560	1.1
130.88780	1.0
139.07579	6.3
151.11206	1.2
153.12758	3.5
167.10680	1.9
169.12206	3.2
181.12195	3.1
183.06311	1.1
186.39810	1.2
197.11752	1.3
205.03490	1.8
207.09915	1.7
207.14020	1.5
209.11490	7.5
219.09929	7.8
221.11528	1.9
223.09560	2.5
247.09578	1.5
247.20723	3.5
248.10287	5.2
249.11035	6.1
251.09042	1.2
253.10497	7.9
263.20148	2.1
291.19684	13.5
292.19873	1.4
294.09482	3.2
301.17764	1.8
303.19415	3.3
309.20685	45.0
310.21057	4.7
313.17880	1.8
331.18887	100.0
332.19305	13.1
363.16699	8.7
364.17078	1.5
374.11752	1.1
391.20444	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03338	0.9
59.01249	100.0
60.01580	1.4
60.60229	0.4
63.06435	0.4
68.43569	0.4
71.01253	6.1
71.04189	1.1
72.99178	0.9
73.02818	0.9
73.09970	0.5
85.02822	3.9
87.00729	0.7
89.02316	7.8
96.99236	0.7
101.02318	3.8
111.00778	0.6
113.02320	2.4
117.97199	0.8
119.03387	3.6
129.01820	0.6
135.98289	1.7
137.02321	0.5
143.03465	1.4
161.04477	1.2
169.04037	0.7
179.05574	2.0
205.03523	0.7
223.04567	0.8
282.91608	0.6
331.17731	1.6
391.19760	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	391.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	2.1
55.97765	0.6
57.03321	9.8
59.01247	100.0
60.01587	1.4
67.01743	0.9
71.01261	7.0
71.45562	1.0
72.99183	0.8
73.02824	1.8
75.00761	1.2
81.96925	0.6
83.01253	5.5
84.02040	1.6
85.02819	52.5
86.03168	2.4
87.00778	0.6
89.02316	4.5
99.00723	1.0
101.02328	4.6
111.00760	14.4
111.01476	1.1
113.02358	2.0
119.03409	2.4
129.01823	23.7
130.02177	1.0
143.03398	0.8
161.04451	3.0
179.05562	1.2
185.11798	2.5
187.02354	0.8
205.03445	13.6
205.05154	0.9
206.03816	0.7
223.04578	1.9
331.17786	1.1
391.15976	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	100.0
59.96666	0.9
60.01591	1.4
71.01244	1.9
71.50588	1.0
71.59596	0.8
85.02841	1.6
101.02296	1.0
105.94186	1.0
182.45638	0.9
185.25903	1.3
258.36682	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92387	0.3
57.03314	0.6
59.00963	0.4
59.01249	6.3
60.18977	0.3
69.38655	1.7
69.39065	0.5
71.01246	1.9
73.02808	0.4
83.01263	0.3
85.02822	2.0
87.00787	0.3
89.02309	0.7
95.01228	0.5
97.69853	0.3
98.36935	0.3
101.02295	1.0
113.02335	2.0
120.99523	0.7
129.01854	0.3
165.12715	0.5
167.14319	19.6
168.14641	1.4
205.03586	0.3
209.15404	1.2
211.13329	21.5
212.13651	1.7
217.00238	0.4
229.14398	100.0
230.14751	7.8
243.15977	1.5
253.14409	2.4
253.55176	0.3
271.15469	2.0
390.31110	0.3
391.20203	1.5
391.26459	0.3
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
57.03338	0.9
59.01249	100.0
60.01580	1.4
60.60229	0.4
63.06435	0.4
68.43569	0.4
71.01253	6.1
71.04189	1.1
72.99178	0.9
73.02818	0.9
73.09970	0.5
85.02822	3.9
87.00729	0.7
89.02316	7.8
96.99236	0.7
101.02318	3.8
111.00778	0.6
113.02320	2.4
117.97199	0.8
119.03387	3.6
129.01820	0.6
135.98289	1.7
137.02321	0.5
143.03465	1.4
161.04477	1.2
169.04037	0.7
179.05574	2.0
205.03523	0.7
223.04567	0.8
282.91608	0.6
331.17731	1.6
391.19760	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	391.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03319	0.7
57.57882	0.3
58.02863	0.6
59.01249	6.8
61.98697	0.7
62.09916	0.3
62.92647	0.3
67.01815	0.3
70.61775	1.0
71.01250	1.4
73.02818	0.5
79.95633	0.5
83.01274	0.5
84.16915	0.4
85.02831	1.1
87.00754	1.4
87.05496	0.6
89.02307	0.9
101.02296	1.0
113.02318	0.4
142.75778	0.4
147.04408	0.6
148.04703	0.5
161.04443	0.9
164.07106	2.0
165.07422	1.3
165.12761	0.8
167.14325	22.3
168.14664	1.2
179.05548	2.4
182.12970	0.7
185.11674	0.4
200.13972	1.4
201.14236	1.4
211.13333	28.4
212.13687	2.0
224.14162	0.4
225.14192	0.6
229.14407	100.0
230.14746	7.1
245.65979	0.4
275.09988	0.3
286.34210	0.4
305.20435	0.8
333.21265	0.4
347.21741	0.4
391.19849	21.9
391.26801	1.2
392.20380	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	391.1794
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	3.2
61.98693	1.1
66.63213	0.3
67.26440	0.2
69.19064	2.9
71.01250	0.5
72.99179	0.4
73.66483	0.2
78.13045	0.2
78.95779	0.7
79.95607	3.5
80.96391	0.8
85.51763	0.3
88.15407	0.3
96.95882	100.0
99.00780	0.5
106.98107	0.3
137.09628	0.5
157.52043	0.3
163.03903	0.3
171.10162	0.8
177.05400	0.5
193.08418	1.2
195.13890	0.5
207.09955	0.3
220.14574	0.8
221.15413	1.5
236.10500	1.5
257.86484	0.3
284.18073	0.2
291.19534	0.4
293.17606	0.6
293.21277	0.3
309.20663	1.1
311.22229	2.4
334.07114	0.7
335.07608	0.3
347.22183	0.5
391.17859	38.5
392.18161	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	391.1608
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01761	3.7
57.03051	1.4
57.03321	17.8
59.01244	8.5
62.80442	0.7
67.01738	0.9
69.21752	2.7
69.22180	4.7
71.01250	6.9
71.29543	0.7
72.99161	1.0
73.02818	3.3
75.00745	1.5
83.01253	9.1
84.02045	2.5
85.02820	100.0
85.06472	2.2
86.03145	2.1
89.02325	0.8
99.00755	0.9
101.02315	4.9
111.00761	27.1
129.01823	40.9
130.02219	1.2
143.04549	1.7
147.02901	1.2
161.04434	3.4
164.70351	0.7
185.11739	5.3
187.02399	2.1
205.03461	30.6
206.03703	1.2
223.04590	10.9
265.22427	0.7
287.07794	0.7
293.37585	0.8
307.04761	0.8
391.19406	2.1
391.26978	7.8
392.17184	1.0
394.71576	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1611
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01743	2.7
57.03320	16.1
59.01246	24.6
61.98698	1.7
71.01241	11.8
71.52636	1.9
72.99210	1.4
73.02812	5.7
75.00737	1.6
83.01248	9.8
84.02027	1.6
85.02821	100.0
85.06430	2.5
86.03135	1.7
87.00745	1.9
89.02296	3.0
99.00765	2.1
101.02312	9.7
111.00764	29.8
113.02315	3.0
119.03384	2.6
129.00879	2.2
129.01825	40.2
150.03123	1.4
154.41798	1.1
161.04425	5.4
165.05479	1.4
185.11707	4.8
186.55000	1.0
187.02312	2.0
187.05762	2.1
187.82726	1.1
195.58109	1.0
205.03461	28.3
206.03835	1.8
211.13258	1.2
217.06836	6.8
223.04544	7.1
349.18613	2.3
391.16385	2.0
391.26755	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	391.1609
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48777	0.5
50.86950	0.5
55.01753	4.0
57.03320	18.5
59.01247	24.0
65.47715	0.5
65.48064	0.5
67.01747	1.3
69.75399	2.7
71.01247	10.6
71.04884	0.6
72.99178	1.8
73.02796	3.5
75.00764	1.4
79.95562	0.6
83.01252	9.2
83.71982	0.5
84.02038	2.0
85.02818	100.0
85.99960	0.6
86.03155	1.8
87.00757	1.6
89.02292	1.6
93.97662	0.6
97.06399	0.6
99.00739	1.1
101.02316	7.9
103.03895	0.7
111.00758	30.1
111.99017	0.6
113.02306	1.5
113.57974	0.6
119.44775	0.5
119.58416	0.5
127.07530	0.7
129.01822	40.3
130.02144	1.1
161.04449	3.8
173.00894	0.6
181.03214	1.0
185.11710	6.0
187.02397	2.5
205.03456	26.0
206.03781	1.1
223.04517	4.2
229.14424	1.0
253.14455	0.8
330.89474	0.6
331.25040	0.7
349.18634	1.6
362.05881	0.7
391.15894	2.5
391.19760	2.0
391.26910	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	391.0321
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39444	0.8
59.01233	1.0
64.82184	0.8
67.55415	0.8
70.95819	2.5
77.93988	0.8
80.63605	0.7
81.46207	0.9
85.02811	2.5
87.00735	2.8
111.00761	75.2
112.01095	3.1
122.27266	0.8
123.88274	0.9
129.01816	4.0
141.21642	1.1
144.98972	0.8
154.99750	2.5
155.01530	1.0
157.80032	0.8
171.95203	0.8
173.00742	1.0
191.01897	4.5
217.01546	35.2
251.23457	1.0
273.64822	0.9
278.10635	1.0
297.67697	0.8
339.82233	0.9
345.38968	0.9
391.03238	100.0
392.03586	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	390.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90039	4.2
57.23659	5.2
59.01246	34.9
61.98697	100.0
65.74636	5.7
69.44810	33.8
74.14016	4.7
74.23534	4.5
74.72598	4.2
79.95610	5.7
119.76810	5.2
249.28061	5.8
283.27859	4.5
285.88589	6.1
413.87244	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	390.3016
Annotation	Unknow
Peak:m/z	Relative Intensity
55.04629	1.9
57.57334	1.7
59.01262	8.9
69.33668	13.4
69.34092	4.5
75.00681	1.7
79.55851	1.6
83.12504	1.7
108.13518	2.0
109.80723	2.0
129.72577	1.7
130.08635	100.0
131.08966	2.5
159.34061	2.1
162.99973	1.9
367.73001	1.8
390.30139	56.3
391.30429	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	389.2906
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	100.0
66.43113	5.2
70.99177	12.5
71.01237	5.0
115.84578	5.2
123.04314	5.1
126.32500	6.1
215.46429	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	390.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	14.0
61.98700	100.0
62.88607	2.1
70.26089	6.4
70.26415	1.9
71.01251	2.7
79.95599	5.4
80.96375	2.3
95.95102	2.1
96.95883	27.6
98.19787	2.2
98.95451	3.0
106.49754	2.1
129.09148	2.4
145.19348	2.1
147.04449	2.1
162.06407	2.1
189.97635	2.4
204.59399	2.5
309.83844	2.3
311.29669	2.1
328.19888	3.9
346.21155	14.7
372.18915	9.6
390.16565	9.5
391.17163	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	390.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	11.5
61.98697	100.0
72.26175	1.1
78.95770	19.8
79.95586	2.8
80.96410	1.6
85.02808	1.3
96.95864	4.1
98.20507	3.3
98.32240	1.2
101.02319	2.1
143.46909	1.3
163.05670	1.3
188.87262	1.3
229.14816	1.3
346.21036	1.8
356.37790	1.4
360.52274	1.3
390.16620	4.1
391.17258	1.6
391.27716	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	389.2907
Annotation	Unknow
Peak:m/z	Relative Intensity
56.41927	7.3
59.01247	100.0
71.22739	14.8
71.47430	6.4
71.51357	7.4
71.61705	6.3
80.05146	6.2
96.35626	7.5
114.88963	6.9
184.82013	7.5
185.60085	8.5
190.61319	7.4
199.81110	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2464
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37446	48.3
57.43945	38.6
59.01260	100.0
71.01247	64.8
71.51020	55.4
80.96418	54.6
106.60003	44.8
137.16435	47.0
140.08215	53.3
228.24081	59.5
290.39908	53.1
383.74866	57.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2463
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01232	82.5
65.59808	26.1
71.01219	44.4
71.30889	56.2
80.96409	27.5
111.60679	29.2
114.34473	23.1
121.04083	24.2
170.68039	28.5
376.68280	29.5
389.26901	100.0
390.19788	35.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2181
Annotation	Rehmaionoside A
Peak:m/z	Relative Intensity
55.01765	4.8
57.03310	5.2
58.00466	2.7
59.01249	52.0
67.01749	0.9
69.03328	1.3
70.14156	2.2
70.14558	1.3
71.01253	100.0
71.04895	16.8
72.01585	2.6
72.99187	4.4
73.02818	29.4
74.03160	1.0
75.00748	2.0
81.03282	1.2
83.01247	10.6
84.02035	0.8
85.02820	41.4
86.03152	1.1
87.00741	5.1
87.52240	0.8
89.02318	29.8
89.98087	0.8
90.02652	0.9
91.56620	0.7
95.01266	7.9
97.02819	3.2
98.03613	3.1
99.00752	12.7
99.01361	1.0
101.02319	56.9
102.02666	2.2
111.00775	0.9
113.02328	43.3
114.02654	1.9
119.03386	8.8
123.08040	2.1
124.05181	3.4
125.02354	2.6
129.01846	2.2
135.98198	1.1
137.09631	6.1
138.06741	2.5
139.07555	15.8
143.03392	5.1
153.09128	9.7
155.10681	63.4
156.10956	1.8
159.02882	9.8
160.03114	0.9
161.04469	42.1
162.04768	1.6
165.12791	1.3
166.88387	0.7
167.07123	0.9
172.57159	0.8
179.05553	2.5
199.09692	2.9
205.03427	1.3
209.15292	1.6
227.16473	99.6
228.16809	8.7
313.08435	1.2
382.69064	0.9
389.21921	6.9
390.22064	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1966
Annotation	Picrasin D
Peak:m/z	Relative Intensity
59.01306	4.2
61.17039	0.4
65.03883	0.5
67.01784	0.5
67.04854	0.4
68.99746	0.7
69.85926	2.2
71.01305	1.1
72.99226	0.8
78.95797	0.7
81.03377	0.5
82.58998	0.4
83.04945	0.7
93.03390	0.9
93.07011	0.5
95.01324	0.9
96.35980	0.5
96.95971	0.5
99.00754	7.1
105.48592	0.4
107.04987	1.0
107.08627	1.0
108.02055	2.2
109.02924	1.2
109.06533	1.3
111.08112	0.8
117.07005	0.5
119.05010	0.7
121.02826	8.4
121.06558	0.5
122.03644	3.0
123.00864	2.0
123.04458	0.8
124.64660	0.5
133.06532	0.8
134.03726	1.0
135.04408	4.8
136.05255	0.7
145.02849	3.7
147.04404	10.5
148.05278	1.5
149.02371	3.8
149.06108	1.6
149.09581	0.6
151.03970	0.9
151.11235	0.5
153.12875	0.5
159.04512	1.9
159.08168	0.8
160.05281	0.6
161.02428	0.6
161.05971	10.3
161.09663	1.5
162.06711	0.8
163.03903	3.7
163.07622	1.5
163.11247	1.3
165.12837	0.9
167.10797	0.6
169.06555	0.6
171.04533	1.8
172.05025	0.5
173.02383	0.6
173.05937	4.0
174.06805	1.2
175.04044	1.1
175.07568	7.8
176.08334	4.2
177.05502	3.5
177.09134	1.7
178.06348	1.8
179.10742	0.5
183.08185	0.6
185.06071	1.4
187.07582	6.1
187.11110	0.6
188.08330	1.3
189.05547	0.7
189.09100	4.3
189.12871	1.1
190.09930	5.0
191.03467	1.1
191.10686	3.2
192.07841	0.7
199.04007	0.6
199.07600	0.6
200.08334	1.0
201.09166	4.6
202.09962	1.2
203.10818	1.3
204.11540	1.0
213.05624	0.9
213.09242	1.1
213.12747	0.5
215.10660	3.4
217.05066	0.9
217.12321	1.3
222.09026	0.8
228.07957	0.8
229.12358	1.2
229.15961	4.3
230.13120	1.2
230.16437	0.8
231.14001	0.5
243.13936	1.2
245.15506	1.4
265.19540	0.5
273.22260	0.9
276.13690	1.6
283.20663	11.2
284.21066	1.4
287.20361	0.5
289.18225	0.9
289.21722	1.0
297.18729	1.0
299.20203	4.5
300.20584	0.6
301.21765	2.7
309.18591	4.1
310.18875	0.6
315.19647	4.0
316.19833	0.6
317.17566	1.2
317.21121	10.9
318.21365	1.4
325.18021	2.3
326.18320	0.7
327.19611	24.3
328.19998	2.7
329.17096	1.8
331.19067	3.0
333.20706	6.1
343.19101	8.8
344.19318	0.7
345.20667	100.0
346.21005	13.2
353.17654	1.3
361.20206	14.1
362.20407	1.8
371.18573	40.7
372.18927	6.2
389.19601	41.0
390.20108	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	389.1942
Annotation	Unknow
Peak:m/z	Relative Intensity
53.49142	1.7
57.03322	5.0
58.12091	1.6
59.00963	2.9
59.01249	52.1
67.93584	1.6
69.03325	4.5
69.09606	1.5
69.15408	17.0
69.15824	2.7
70.85880	1.4
71.01251	2.1
73.22715	1.8
80.02535	3.4
81.03306	5.4
83.01260	11.9
83.04903	4.8
92.42316	1.6
95.04903	3.8
97.02808	5.4
97.06464	10.2
119.08577	2.9
121.02872	1.9
121.06480	3.3
121.10142	1.6
123.04376	9.8
123.08044	5.2
125.09602	17.9
135.08064	5.3
137.09586	8.4
137.25290	1.7
141.09167	2.0
142.52324	1.6
143.02008	1.6
149.06010	2.2
150.10316	1.5
153.01556	2.1
156.66342	1.9
161.09523	2.9
163.07451	2.7
163.11195	17.2
164.11603	1.7
165.12778	5.6
167.02887	1.9
175.07312	3.3
179.10701	2.9
181.12230	4.1
185.11726	11.2
191.10762	4.5
191.14333	18.5
203.72754	1.7
207.10210	12.2
209.11765	81.8
210.12103	6.8
217.15811	2.5
219.06538	1.8
225.11270	7.7
231.07675	3.4
231.09973	54.8
232.10243	4.1
232.58955	1.7
233.11575	4.4
245.19072	35.9
246.19493	3.5
271.17053	4.1
285.18515	3.8
289.18091	100.0
290.18307	10.7
291.12137	4.1
291.19583	5.3
301.17596	2.3
307.19113	61.3
308.19473	7.5
317.17331	7.6
329.17279	18.0
365.03644	1.8
389.19315	14.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1816
Annotation	(-)-11-hydroxy-9,10-dihydrojasmonic acid 11-beta-D-glucoside
Peak:m/z	Relative Intensity
56.30471	0.3
57.03317	1.2
59.01251	6.4
69.03305	0.4
70.98977	0.3
70.99294	0.6
71.01253	4.3
72.99108	0.3
73.02822	1.0
83.04900	0.4
85.02819	1.8
89.02319	3.1
95.01233	0.5
100.68941	0.3
101.02311	2.0
111.08035	1.7
113.02323	3.5
115.00316	0.4
116.07697	0.3
119.03383	1.1
154.33749	0.3
161.04459	0.7
165.12758	27.4
166.13080	1.8
167.14400	0.6
179.05519	0.5
181.12234	0.4
183.13821	100.0
184.14151	5.9
191.10632	0.4
195.13786	0.6
197.15425	1.9
207.13829	2.1
209.11748	3.1
225.14938	2.2
227.12834	96.5
228.13165	6.3
251.12839	3.2
269.14014	1.5
329.15918	0.5
389.18094	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	389.1816
Annotation	(-)-11-hydroxy-9,10-dihydrojasmonic acid 11-beta-D-glucoside
Peak:m/z	Relative Intensity
57.03319	3.5
59.01232	4.1
69.03318	1.7
70.99162	2.8
71.01252	1.6
85.02821	3.0
87.00765	6.8
99.00750	2.3
101.02314	1.4
111.08050	6.6
117.01745	1.3
141.01852	1.2
150.13997	1.0
151.95888	1.1
155.38873	1.1
161.04443	4.2
165.12759	59.7
166.13089	3.7
179.05525	10.6
180.26089	1.0
183.13826	100.0
184.14137	5.7
209.11794	5.1
215.12857	2.4
227.12848	86.1
228.13242	5.8
387.99139	1.2
389.18152	41.0
389.25528	2.3
390.18454	4.6
408.17328	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1817
Annotation	(-)-11-hydroxy-9,10-dihydrojasmonic acid 11-beta-D-glucoside
Peak:m/z	Relative Intensity
55.01747	2.0
57.03323	8.1
58.00457	0.6
58.51978	0.6
59.01250	25.0
69.03321	1.1
71.01250	7.9
71.04885	1.4
72.99178	1.5
73.02815	3.3
75.62527	0.6
81.00669	0.6
83.01264	3.1
83.04887	0.9
85.02819	27.3
87.00759	5.0
87.04376	0.6
89.02312	2.6
95.01234	0.7
96.73485	0.6
97.02863	0.8
97.06441	1.8
99.00758	1.8
101.02322	6.3
109.06413	1.1
111.00769	6.5
111.08027	4.6
113.02324	2.6
115.07547	0.9
117.01804	1.7
119.03362	1.0
120.69835	0.6
123.08024	1.0
125.02352	1.0
129.01823	9.3
139.07553	0.7
139.11154	1.2
141.01762	1.2
143.10741	1.0
146.13438	0.5
151.39143	0.7
153.09084	1.5
158.27042	0.7
161.04471	5.7
163.11214	0.6
165.12756	42.9
166.13077	2.4
179.05513	9.3
181.12335	0.8
183.13823	100.0
184.14149	6.6
185.11751	0.9
191.10765	0.7
200.86835	0.6
205.03433	5.2
209.11778	7.6
223.04738	1.0
227.12833	70.3
228.13168	4.2
243.16083	0.9
350.58008	0.7
359.24890	0.7
389.18140	36.2
389.25446	23.8
390.18723	3.7
390.25891	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	389.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44075	0.8
55.01741	2.5
57.03320	18.3
58.87196	1.1
59.01235	4.2
61.98676	2.5
67.01727	1.8
68.99644	1.3
71.01246	5.9
71.50778	1.1
71.51165	1.2
72.43227	0.9
72.99153	1.5
73.02815	1.8
75.00700	1.1
78.95763	1.5
79.95603	29.4
80.96375	2.5
83.01247	10.0
84.02020	2.8
85.02820	100.0
86.03118	2.4
87.00718	1.2
87.70425	1.0
95.95090	6.9
96.95886	64.6
97.02783	3.5
99.00777	1.5
101.02316	4.9
111.00767	30.0
122.44942	1.0
129.01830	47.8
140.82202	0.9
161.04404	2.6
176.98480	3.5
183.13837	6.8
184.14088	1.4
187.02312	1.7
190.02811	1.4
191.03667	3.0
197.11732	1.7
205.03464	25.4
211.13269	2.8
223.04529	8.6
246.15903	1.0
251.16498	1.0
257.18045	1.0
291.19525	2.3
327.19540	2.1
345.20859	6.7
355.31403	0.9
371.18234	2.2
389.16196	34.8
390.16531	3.7
413.14554	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01740	4.4
57.03325	17.6
59.01259	17.9
61.81243	2.4
61.98693	12.3
71.01271	13.3
71.51242	3.2
73.02842	3.3
77.13928	2.7
78.41479	2.4
83.01263	8.5
85.02821	100.0
86.03141	2.8
87.00772	2.7
94.44302	2.7
96.95869	4.9
101.02358	7.0
102.87802	3.0
110.35824	2.6
111.00766	31.5
121.67725	3.0
129.01836	52.3
161.04445	4.2
178.76828	2.7
183.13788	8.5
187.02478	3.3
205.03459	29.1
223.04494	9.3
227.40323	2.7
345.20587	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	389.1732
Annotation	Unknow
Peak:m/z	Relative Intensity
56.60292	0.3
56.95807	0.3
58.06717	0.3
59.01234	1.6
60.89997	0.2
61.98703	1.6
63.32107	0.2
69.45598	1.3
69.46007	0.7
71.01238	0.3
78.95771	100.0
81.03379	0.3
85.02812	0.4
85.59856	0.3
89.02264	0.4
96.13298	0.2
96.95904	0.4
96.96834	4.1
151.88556	0.2
160.50043	0.3
270.40524	0.3
349.76736	0.3
389.17261	4.9
389.24545	0.7
390.17621	0.7
390.26688	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1636
Annotation	Compound II(R/S)
Peak:m/z	Relative Intensity
53.12537	0.2
59.01237	0.5
69.34380	0.4
69.34784	1.8
79.95602	14.0
80.96395	1.1
87.58752	0.3
96.95882	100.0
97.95835	0.6
98.19870	0.4
99.00753	0.7
100.20599	0.2
120.68550	0.2
163.03938	0.3
177.05458	0.5
211.33243	0.2
254.25385	0.2
291.19632	0.7
309.20615	1.4
345.20541	0.4
371.22113	0.3
389.16266	39.4
390.16638	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	389.1733
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01295	0.2
62.96270	0.2
71.29882	0.3
78.95771	100.0
85.44075	0.2
96.96836	47.8
97.10781	0.2
101.55035	0.2
103.36633	0.2
105.50681	0.2
267.41998	0.2
349.73947	0.2
389.17310	9.4
390.17795	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1638
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01743	1.2
55.18747	0.6
57.03331	5.6
57.46831	0.6
59.01250	4.2
61.98673	1.2
65.02974	0.6
66.92434	0.6
69.03326	0.5
71.01242	3.0
71.50075	0.9
72.99165	0.9
73.02813	0.9
78.95736	1.3
79.95609	59.2
80.96388	42.5
83.01234	2.3
84.02000	0.8
85.02821	23.5
93.03291	0.9
95.95108	3.4
96.95886	47.4
97.02809	1.7
97.06400	0.7
99.00746	1.7
101.02271	1.2
107.08521	0.6
108.02051	1.3
109.06435	0.9
111.00761	6.8
119.04918	0.7
121.02831	4.5
122.03600	1.0
123.00789	1.4
123.08044	0.7
125.09608	1.2
129.01833	10.5
129.74408	0.6
131.33514	0.6
135.04410	3.4
137.09628	0.7
145.02840	1.3
146.91812	0.6
147.04445	4.6
148.05019	0.7
149.02293	2.6
149.05907	0.9
151.11136	0.8
159.04335	0.7
161.04706	0.7
161.05997	5.5
161.09549	1.4
163.03897	1.8
163.07457	1.2
163.11221	2.8
163.41655	0.6
165.12743	3.7
166.13007	0.7
167.10544	0.8
171.10159	0.7
173.05959	1.9
175.07549	4.3
176.08215	2.5
176.98465	0.6
177.09067	1.1
179.14285	1.2
181.12181	0.6
183.13741	2.3
187.07523	3.7
188.08214	0.8
189.09055	2.4
190.09953	3.3
191.10597	2.2
191.14238	1.6
199.09579	0.8
200.08279	0.6
201.09038	2.0
202.09792	0.8
203.10567	0.9
205.03470	6.1
207.13696	0.8
209.11771	0.8
210.08888	0.7
215.10594	2.1
217.12079	0.9
221.32191	0.7
223.04454	2.2
223.13300	1.6
229.12309	0.8
229.15869	2.2
245.15318	1.0
245.18983	1.5
247.20551	2.7
273.18552	0.9
276.13486	0.8
283.20593	5.7
284.20874	0.7
289.18082	1.0
291.19656	29.1
292.19955	3.4
299.19907	2.4
301.21524	2.2
309.20810	26.0
310.20898	2.3
315.19403	2.5
317.17859	0.9
317.21173	5.4
318.21390	0.8
325.18036	0.9
327.19629	15.8
328.19992	1.2
331.19061	2.1
333.20755	3.3
334.20941	0.9
343.19083	5.4
344.19281	0.7
345.20679	61.7
346.21088	5.9
361.20187	8.1
362.20465	1.1
371.18600	24.4
372.18738	4.0
389.16150	100.0
390.16483	11.6
390.20776	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1452
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	3.0
57.03318	15.1
59.01247	34.7
68.59663	0.9
69.27748	8.4
71.01250	8.2
72.99163	1.8
73.02806	3.1
75.00740	1.2
75.11465	0.9
77.00197	1.1
79.05122	0.9
83.01248	9.8
84.02046	2.6
85.02819	100.0
86.03150	2.2
89.02332	1.2
94.34026	1.0
99.00753	1.0
101.02335	6.2
101.25418	0.8
109.40882	1.0
111.00755	24.3
113.02343	1.2
114.89543	0.9
129.01823	35.1
130.02168	1.5
130.99602	0.8
137.47289	0.8
139.11171	1.5
161.04443	4.1
173.00740	0.8
183.10170	5.0
193.04877	1.5
197.09138	0.8
205.03450	20.9
223.04539	1.1
359.14639	1.1
389.12894	1.1
389.18143	1.1
389.25470	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	389.1454
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37222	0.7
55.01760	3.7
57.01163	0.8
57.03322	18.0
59.01251	7.1
67.01735	1.0
68.99677	0.7
69.03342	1.1
70.52463	2.1
71.01260	10.1
72.99174	1.9
73.02821	2.7
75.00755	1.6
83.01267	9.9
84.02047	2.0
85.02824	100.0
86.03171	2.2
87.00730	1.2
89.02323	2.7
99.00761	0.9
101.02341	7.4
109.99385	0.7
111.00768	26.1
111.68017	0.7
112.01125	1.3
113.02313	1.8
119.03350	1.6
129.01833	44.0
130.02126	1.0
130.35759	0.8
144.04456	1.1
161.04451	3.9
162.05568	0.9
183.10201	3.0
187.02339	0.9
202.05090	1.0
205.03467	28.3
206.04298	1.0
220.06102	2.3
223.04585	6.2
251.12248	0.9
252.10085	1.4
266.06979	0.9
266.27487	0.7
267.11417	1.1
279.07770	1.2
280.08588	4.9
295.10883	13.0
296.11099	1.2
313.12006	5.1
314.12231	1.1
327.13538	5.7
339.09921	1.2
345.14630	1.1
357.10992	4.2
371.12469	2.9
389.13672	12.5
389.18079	1.6
389.25919	1.3
390.13904	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	389.1453
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	4.5
57.03324	20.3
58.03635	1.7
59.01243	4.5
67.01776	1.0
69.20070	3.2
69.20485	7.8
71.01257	6.6
72.99166	1.6
73.02818	1.3
83.01247	10.5
83.92490	1.0
84.01999	2.4
85.02821	100.0
86.03162	2.7
87.00702	1.3
101.02310	7.0
111.00760	28.8
127.16661	1.2
127.47684	1.1
129.01823	39.5
136.01512	2.5
144.04404	1.8
146.03627	3.4
150.03113	4.6
151.03929	2.4
156.63931	1.2
161.04489	3.8
161.06000	1.5
162.05461	1.1
164.04683	2.3
165.05478	1.2
179.07010	3.0
183.10187	3.0
187.02452	1.2
190.05157	1.4
190.94427	1.0
205.03465	29.1
206.04018	1.5
209.04520	3.7
220.06035	1.5
223.04527	6.0
236.09291	1.1
239.08026	1.5
253.09897	1.4
265.06036	1.4
267.11441	2.0
279.07816	1.5
280.08530	6.9
291.89432	1.1
295.10825	13.6
313.11859	6.7
327.13525	3.9
331.68970	1.1
339.09821	4.3
357.10928	4.0
371.12744	2.1
389.13565	12.1
390.14194	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1455
Annotation	Unknow
Peak:m/z	Relative Intensity
53.69177	0.6
55.01748	3.2
57.03326	15.9
59.01245	10.7
64.12141	0.6
67.01758	1.1
67.49632	0.7
68.99676	0.7
70.66093	1.8
71.01249	8.4
72.99187	1.3
73.02815	1.5
75.00745	1.8
83.01253	8.0
84.02063	2.9
85.02822	100.0
86.03162	2.1
87.00709	0.7
89.37286	0.6
99.00763	1.2
101.02325	6.0
111.00764	27.4
119.09294	0.6
121.02891	0.8
123.04417	0.6
129.01826	40.1
130.02182	1.3
134.03638	4.0
144.43552	0.6
149.02303	0.9
149.05981	1.0
150.03159	4.5
151.03912	1.1
161.04449	3.4
165.05544	3.4
165.09175	1.1
178.02615	1.5
181.05077	0.7
183.10223	2.9
187.02460	1.1
193.04976	4.9
195.06615	1.1
195.39711	0.7
205.03473	26.7
223.04504	5.9
254.03046	0.7
339.93265	0.8
341.10239	1.2
351.08371	0.7
354.50198	0.8
389.14072	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1242
Annotation	Unknow
Peak:m/z	Relative Intensity
54.78637	1.5
70.28999	4.2
70.29345	1.9
70.45042	1.5
80.08865	1.4
85.02817	2.4
93.03332	2.5
94.37875	1.8
111.00756	1.8
121.02836	6.3
122.03605	10.4
133.02812	2.9
134.03629	58.6
135.03952	2.0
137.02347	9.1
139.03886	2.8
149.02338	13.7
149.05971	15.2
150.03131	91.9
151.03481	4.1
157.74794	1.3
164.04678	3.7
165.05481	100.0
166.05757	5.2
178.02657	36.9
179.03018	1.9
180.04207	7.8
183.43871	1.5
193.04985	83.5
194.05383	4.8
195.06549	38.5
196.06836	2.2
341.10202	4.3
342.14886	1.7
393.31494	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	389.124
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88072	1.0
51.58092	0.9
58.02565	1.0
59.01247	2.5
71.52680	1.8
74.61598	1.0
90.87185	1.1
93.03355	3.4
107.03237	0.9
109.73886	1.1
117.03368	1.1
121.02842	23.0
122.03649	11.9
123.04232	0.9
124.01527	1.1
129.01869	1.1
133.02837	2.7
134.03625	57.0
135.04375	3.0
137.02318	7.5
139.03899	2.3
149.02341	35.2
149.05991	14.8
150.03131	84.9
151.03494	3.8
154.87630	1.2
164.04712	5.9
165.05481	100.0
166.05798	5.2
178.02628	27.2
179.03024	2.2
180.04196	5.5
193.04987	99.9
194.05307	6.6
195.06561	56.3
196.06909	2.2
205.06453	1.6
221.05943	1.9
223.07535	1.0
233.06123	2.3
234.06812	1.4
239.07101	3.9
250.06319	3.6
253.08661	2.4
254.09424	1.4
265.08701	1.3
267.06479	4.9
282.08939	9.5
283.09372	1.1
297.07809	1.6
297.11282	2.9
309.07828	1.2
309.54285	1.0
324.82764	1.1
341.10275	58.9
342.10654	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.124
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03304	1.6
59.01244	24.2
59.63561	1.7
60.13567	1.4
62.22933	1.5
67.02482	1.5
71.01252	4.3
71.46718	3.1
83.01295	1.5
83.91135	1.6
84.41936	1.4
85.02833	7.2
93.03323	2.5
96.93117	1.6
101.02309	2.6
108.02020	2.0
111.00739	2.1
119.04936	2.3
121.02835	7.7
122.03634	8.8
123.04401	9.5
129.01830	2.1
133.02859	4.4
134.03624	84.4
135.04362	5.7
136.01616	1.9
137.02390	10.7
139.03903	4.6
147.04424	1.7
148.01465	1.7
149.02359	26.5
149.05965	19.8
150.03120	67.5
151.03911	26.6
162.03099	2.0
164.04735	4.7
165.05472	55.1
166.05838	2.0
178.02618	26.9
179.03024	1.9
179.07011	1.9
180.04199	1.9
181.04987	12.8
192.04182	4.4
193.04987	100.0
194.05371	5.3
195.06516	23.7
219.61774	1.7
239.07027	2.1
267.06534	4.7
282.09000	5.8
297.11365	3.1
341.10242	31.9
342.10730	2.4
371.10934	2.2
389.12292	14.2
389.25327	2.8
390.12836	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	389.1239
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40624	13.7
59.01237	65.7
63.56278	14.9
71.01228	21.0
71.51823	19.2
73.29208	14.3
85.02810	24.2
93.03354	16.2
95.01252	24.6
96.95883	15.1
107.01193	16.8
108.02048	30.6
109.02847	14.7
111.00766	15.7
121.02853	28.4
123.00799	35.0
123.04362	22.0
124.01549	38.8
135.04408	26.2
136.01563	60.8
137.02344	15.3
139.00259	59.0
139.03903	22.3
140.01036	51.8
145.02798	13.9
146.03613	29.6
149.02275	22.4
150.03197	15.1
151.03957	69.8
152.01006	19.3
155.03360	45.5
162.03038	17.4
163.03922	26.6
164.04784	23.9
165.01854	16.9
167.03381	50.7
175.03960	20.4
176.04710	22.4
177.05466	17.9
179.03395	45.2
179.07024	30.0
192.04109	20.1
204.04228	15.7
205.05019	21.9
211.07550	19.0
219.06580	39.8
223.05931	21.2
228.07843	19.4
237.05476	22.8
237.07628	20.2
238.06244	14.6
239.07036	31.3
251.07021	19.0
255.06604	22.5
266.05933	22.9
267.06555	37.7
267.10306	20.3
268.07440	69.2
269.04419	15.0
269.07925	20.2
271.05920	21.4
271.09665	20.8
271.97211	15.4
280.07370	45.9
281.08096	21.7
283.06412	23.7
283.09689	100.0
284.06900	23.0
285.07642	26.7
293.04556	20.0
295.09732	48.2
297.07639	26.9
300.09894	24.7
311.09125	34.3
312.10031	16.4
313.07272	26.2
313.10773	59.6
315.08810	19.4
315.12280	40.4
326.07687	23.5
327.08655	62.1
327.12335	74.1
339.08591	33.8
341.10123	45.1
344.08820	35.7
356.08960	75.0
357.09543	31.0
359.11414	86.4
371.11343	83.5
372.11478	18.3
374.10022	23.1
389.12698	81.7
389.25436	62.6
398.91098	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	388.1965
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34780	7.5
59.01241	25.4
61.98701	100.0
112.89341	6.6
161.09450	7.6
161.10759	7.3
171.10178	10.5
203.51465	7.9
323.93152	8.8
329.23511	9.2
330.23782	14.1
388.19427	26.6
389.18750	24.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.124
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01206	2.4
55.01744	5.3
57.03316	15.8
57.79197	2.4
59.01244	21.0
64.88132	1.9
69.70824	4.8
69.71236	8.4
71.01259	19.5
72.16049	1.8
72.99183	3.1
73.02809	5.3
75.00751	3.1
83.01259	7.7
85.02819	100.0
87.00753	2.2
89.02327	3.2
93.03328	2.8
95.01245	2.6
98.20283	6.6
99.00739	2.4
101.02308	9.3
106.78297	2.1
111.00755	31.1
121.02846	8.7
122.03619	4.7
122.05965	5.1
129.01823	35.8
133.02826	3.8
136.01553	27.4
137.02240	2.3
144.04393	7.1
146.03630	37.9
147.04254	2.7
148.01476	2.3
149.02336	13.3
150.03122	90.9
151.03928	46.7
152.04222	3.3
159.04430	3.9
160.03893	2.4
161.04440	6.5
161.05952	11.7
162.05409	3.9
163.03853	2.7
164.04689	27.3
165.05484	19.6
165.12776	15.0
172.03922	2.6
175.07520	10.0
179.05583	4.6
179.07043	54.5
183.10207	3.4
183.13794	28.4
190.05003	2.8
193.08711	2.5
202.04962	3.9
205.03476	21.8
206.04396	6.7
209.02481	3.7
209.04491	68.4
209.11694	2.6
210.04845	4.7
220.06099	8.2
223.04549	5.5
227.12929	22.8
236.09482	4.4
237.07692	6.6
239.08333	2.5
239.11760	3.0
251.11833	9.8
252.08658	2.6
252.10455	3.0
253.09836	5.4
265.06195	4.7
266.06955	3.6
267.07608	3.0
267.11285	6.3
269.12888	2.2
279.07678	5.4
280.08496	23.9
283.10928	2.9
295.10843	54.1
296.11292	5.0
297.08005	3.3
312.10089	3.3
313.11938	51.6
314.12094	5.4
327.13141	16.2
338.40280	2.4
339.09717	11.8
340.10046	2.3
357.10974	29.2
371.12460	4.7
389.13300	28.1
389.18115	12.3
389.25543	4.9
390.13843	2.6
409.44516	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2753
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	100.0
61.98727	7.5
66.85088	6.5
71.52312	6.5
83.81738	5.9
87.56688	7.1
179.05492	6.1
219.52847	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	388.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35574	1.4
56.71975	1.7
57.41138	1.3
59.01247	4.3
59.33226	1.5
60.10199	1.8
61.98701	100.0
78.95786	12.0
79.62307	1.9
90.22910	1.4
96.95916	2.0
96.96851	2.7
101.59646	1.7
119.48158	1.6
140.17960	1.6
172.87750	1.5
186.31656	1.6
190.85167	1.5
212.84415	1.5
345.20636	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	387.275
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81802	5.2
59.01243	100.0
70.98891	11.9
71.01276	6.8
71.68734	4.4
78.71671	4.5
79.95606	24.6
80.96394	8.9
101.02335	7.0
104.87928	4.7
106.97976	9.8
107.46548	4.9
113.02326	8.4
117.73828	4.9
124.00669	6.6
124.55053	5.3
174.79460	6.0
204.53352	5.6
212.85254	5.4
253.21687	7.4
301.18582	5.8
388.25290	62.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2306
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01237	100.0
61.40079	43.6
71.50777	47.0
97.54937	37.4
144.27209	41.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2306
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01241	66.0
59.02803	17.6
66.15552	18.5
70.71918	63.7
71.01220	33.1
137.09573	20.4
165.12744	32.7
204.11438	26.3
225.07347	21.2
271.20691	52.4
302.26672	21.5
315.19626	82.1
317.21112	28.4
325.25323	29.2
359.25928	19.4
369.24286	34.6
387.25485	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	387.166
Annotation	Tuberonic acid glucoside
Peak:m/z	Relative Intensity
55.01745	1.4
58.00457	1.5
59.01249	81.0
64.53864	0.9
64.81093	0.8
66.53340	0.9
71.01255	18.4
71.06738	2.0
72.99174	1.8
73.02838	1.2
85.02822	3.5
89.02310	13.6
95.01228	1.1
100.65498	1.0
101.02317	13.1
113.02335	8.5
119.03386	6.6
120.23521	0.9
122.24662	1.0
159.61292	0.9
163.11183	6.2
207.10196	15.5
208.10574	1.2
221.74147	0.9
356.76239	1.0
387.16602	100.0
388.17004	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	387.1663
Annotation	Tuberonic acid glucoside
Peak:m/z	Relative Intensity
50.57593	0.9
59.01247	7.5
69.30841	4.7
69.31255	2.6
71.01247	2.4
73.02808	4.2
83.01259	1.6
85.02805	3.7
89.02341	1.1
95.04901	1.8
98.19745	1.4
101.02335	2.6
111.00748	1.7
113.02347	1.0
136.01607	2.2
149.73112	0.9
151.00255	1.2
151.03893	2.7
158.52525	0.8
161.04524	1.8
163.11189	3.5
166.02644	1.7
179.05540	2.2
181.04990	2.3
181.12277	42.2
182.12602	2.6
199.13374	5.7
207.10187	1.1
225.11290	100.0
226.11598	6.6
279.50488	0.7
387.11633	1.2
387.16620	28.6
387.23962	1.5
388.16895	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	387.1661
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16593	1.3
59.01255	10.4
59.62377	1.2
70.98876	2.4
70.99197	1.9
71.01251	14.4
72.99171	2.9
75.00764	1.7
79.77827	1.3
83.01271	2.0
84.02038	5.2
85.02834	2.2
85.42867	1.3
87.00756	24.3
89.02312	1.2
99.00762	4.8
107.68519	1.4
111.00757	2.3
115.00252	71.2
117.01845	1.4
118.68565	1.5
136.05217	2.0
139.00322	6.8
157.01337	9.3
175.02396	100.0
176.02730	2.6
195.13780	1.9
197.15398	1.8
211.13394	4.1
213.14943	2.1
219.13864	1.7
223.13330	5.8
225.14902	9.5
226.15372	2.0
227.16653	1.6
235.13441	1.8
237.15013	3.9
241.14438	31.1
247.13441	3.7
253.14520	3.0
255.15912	1.7
261.14938	8.6
265.14566	1.4
269.13962	25.2
270.14294	2.8
279.16101	1.8
287.15018	31.1
288.15372	2.9
289.14462	3.1
307.15524	11.8
327.14545	22.5
328.14941	3.4
350.14575	1.6
351.14441	4.4
387.16660	3.5
396.43195	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	387.166
Annotation	Unknow
Peak:m/z	Relative Intensity
54.74687	0.8
55.55872	1.0
59.01248	9.5
59.43867	0.9
71.01254	14.4
71.07077	2.2
72.99187	2.1
73.02808	1.0
74.95300	0.9
75.00720	1.0
83.01252	2.3
84.02046	1.0
85.02831	2.1
87.00749	17.7
99.00747	2.6
111.00756	3.8
113.02292	0.9
115.00251	58.5
116.00524	1.2
136.05176	1.0
139.00258	5.3
153.12631	0.9
157.01350	11.0
175.02396	100.0
176.02730	4.2
199.13206	1.0
211.13278	1.9
225.14908	2.9
237.14906	1.5
241.14435	7.0
253.14447	1.9
253.17862	1.2
261.14902	4.2
265.14520	1.3
269.13901	10.3
287.15045	8.5
289.14554	1.2
307.15445	7.7
325.16425	1.0
327.14520	8.1
351.14502	1.8
387.16470	2.6
387.23596	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	387.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	7.8
59.67391	1.0
62.16975	0.8
71.01256	13.2
71.05102	1.8
72.99158	1.1
73.02827	1.0
76.96721	0.9
83.01238	2.5
84.02039	1.2
85.02827	1.3
87.00751	19.3
99.00746	2.6
111.00784	4.2
113.02291	1.1
115.00256	62.5
116.00529	1.3
136.05194	1.2
139.00258	6.3
157.01360	8.9
162.20743	0.9
175.02397	100.0
176.02695	3.0
211.13280	3.2
223.13361	2.5
225.14897	3.5
235.13347	0.9
237.14996	2.7
241.14418	7.7
247.13397	2.1
253.14461	2.5
255.16051	1.0
261.14951	6.4
262.15244	1.1
265.14334	1.5
269.13925	8.9
270.14130	1.0
283.15457	1.4
287.14941	7.3
289.14447	1.4
307.15485	9.2
308.15952	1.1
327.14398	7.8
328.14868	1.0
344.68976	1.0
351.14404	2.0
383.41800	1.1
387.16550	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	387.1448
Annotation	Renealtin B
Peak:m/z	Relative Intensity
57.88905	1.6
58.70369	1.6
59.01247	8.5
59.75765	1.4
61.98703	2.9
69.15848	9.7
69.16277	7.5
82.10905	1.6
85.02818	5.1
118.23694	2.0
121.11209	1.9
123.00773	6.1
129.01848	2.1
131.65109	1.6
138.03104	13.5
145.02867	3.3
147.04401	3.0
148.05190	10.4
149.05997	8.1
151.03915	2.9
153.05487	23.5
155.80492	1.7
159.04428	21.2
160.05211	23.5
161.05933	5.3
162.03154	8.3
162.06715	2.3
165.01822	6.2
165.05495	2.8
174.03128	7.4
175.02344	1.9
175.07533	5.7
176.04660	6.7
176.42943	1.6
177.05484	100.0
178.06259	29.6
180.02730	1.7
180.04156	8.9
187.03883	11.9
188.04733	13.3
191.07072	31.6
192.04201	6.8
192.07777	10.8
193.08551	2.1
194.05804	2.6
195.06512	4.8
203.07072	89.7
204.07407	6.0
206.05768	23.6
210.05257	14.1
219.06525	3.9
220.07375	4.1
221.08133	86.8
222.08488	6.4
224.06874	21.9
233.08112	2.7
239.39189	1.7
267.06644	1.8
272.65955	1.6
295.05905	2.4
296.07001	2.8
311.09204	3.1
313.07193	2.0
321.07547	2.8
329.13699	2.3
339.08749	7.4
341.14032	2.6
343.11853	4.1
354.10913	4.7
357.13327	11.2
369.13412	25.9
370.13913	3.3
387.14526	30.6
387.23990	3.2
388.14719	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1295
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03302	8.9
59.01246	100.0
70.67471	17.9
71.01248	37.0
71.35195	6.2
73.02811	13.1
75.00740	32.7
83.01241	16.7
85.02817	79.3
89.02328	10.3
101.02309	19.2
111.00758	24.8
112.64245	6.5
113.02342	11.2
121.02810	7.7
123.04398	45.0
129.01819	26.0
133.16219	5.5
161.04486	6.7
161.37349	6.1
180.96263	5.1
205.03542	13.9
223.04456	7.8
225.14896	7.4
245.11649	5.8
267.08554	41.5
285.09689	23.0
327.10876	5.8
330.30508	7.0
387.20041	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	387.1295
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	4.9
57.03323	18.7
59.01248	14.3
60.55725	0.9
67.01759	1.7
68.99691	1.1
71.01247	17.2
71.49786	0.9
72.82137	0.9
72.99174	1.8
73.02827	3.1
75.00751	2.1
83.01256	9.1
84.02054	2.3
85.02821	100.0
86.03170	2.7
87.00742	1.5
89.02319	7.2
99.00785	1.5
101.02326	9.5
101.44382	0.8
103.03826	1.2
110.99985	1.7
111.00756	26.7
111.71507	0.8
113.02325	3.3
119.03368	3.1
119.08568	3.0
129.01823	41.1
130.02119	1.4
147.02901	1.0
161.04492	5.4
165.05450	1.1
173.60004	0.9
179.05423	1.5
181.08575	3.1
187.02422	1.3
193.93683	0.9
205.03453	25.8
206.03914	1.1
223.04517	19.4
225.11182	2.2
311.32004	1.3
387.07437	1.2
387.16266	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	387.1295
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	1.5
57.87663	0.5
59.01246	100.0
60.01557	0.8
71.01232	1.4
71.50886	1.0
85.02824	5.1
88.91090	0.5
89.02326	0.9
108.02045	6.4
111.00780	1.7
123.04401	5.1
129.01817	3.2
129.73122	0.6
161.04478	0.9
164.04678	0.6
205.03520	1.8
339.59268	0.7
363.56277	0.6
387.07236	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1295
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73287	1.3
59.01252	27.6
69.57680	8.5
71.01250	9.0
79.05408	3.9
81.03341	2.5
85.02850	2.8
89.02309	8.2
95.21947	1.6
101.02341	4.3
113.02293	3.2
119.03393	1.7
123.04404	100.0
124.04742	3.5
136.40018	1.2
137.02341	1.6
139.03871	2.0
154.70699	1.3
163.11198	13.3
182.34811	1.2
286.25259	1.6
327.10727	2.2
387.16623	36.9
388.17023	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	386.2546
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75118	1.9
58.00467	4.1
59.01241	12.5
61.98677	2.7
69.35645	1.8
69.99526	9.1
70.02855	6.2
71.01254	12.2
72.00775	17.0
72.04386	4.8
73.02827	23.7
83.04901	2.8
85.02861	1.9
86.02360	10.0
88.03911	20.0
96.34191	1.8
100.03932	19.0
103.78285	1.9
124.06818	2.1
137.45421	1.8
173.34840	2.1
181.94562	2.2
197.19197	2.1
214.69083	1.8
221.19083	15.0
223.18381	4.1
223.20616	81.7
224.20876	9.5
225.22191	11.0
235.20659	6.9
251.20190	6.0
253.21715	100.0
254.22067	10.6
264.23328	8.1
265.21643	4.3
282.24402	48.8
283.24689	5.8
296.25839	2.5
306.24353	4.5
314.26971	72.3
315.27365	10.6
342.26535	7.1
371.19962	2.3
386.25381	26.1
393.37302	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	386.1025
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88852	2.1
58.02842	9.1
65.62020	2.5
71.04766	5.6
74.02344	29.4
75.25436	2.4
82.77348	2.5
85.02807	11.0
86.02336	8.6
87.05505	6.8
98.45455	2.4
99.05512	24.3
101.07034	5.5
102.05481	2.7
113.00547	100.0
119.39709	2.5
125.03457	3.0
127.05049	5.2
128.03426	67.1
135.05516	6.0
141.06537	4.3
141.88521	2.6
143.04517	99.7
145.06003	2.9
146.04482	7.2
153.06575	9.6
160.00592	11.0
164.08270	2.5
166.09804	4.8
167.04523	4.8
167.08122	5.2
173.07628	2.4
177.03343	4.1
179.04514	18.9
181.06097	2.6
185.05614	4.1
197.05594	3.8
207.63014	2.8
210.08713	17.1
242.07899	2.7
249.77766	2.5
254.07932	11.8
272.08789	13.4
306.07684	22.8
386.10083	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	385.2595
Annotation	Unknow
Peak:m/z	Relative Intensity
56.95734	0.5
57.03312	0.5
58.92928	0.5
59.01244	2.4
65.45600	0.4
67.16049	0.4
71.01245	0.7
84.94993	0.4
85.29410	0.5
91.03864	0.6
97.06430	0.5
104.70643	0.5
111.08035	0.8
111.48920	0.4
125.09640	0.6
127.11150	0.7
129.09074	1.4
140.72202	0.5
141.09079	0.6
153.12761	3.4
169.12218	2.1
179.10582	0.5
181.12259	9.4
181.13759	0.9
182.12659	0.8
195.13765	0.8
197.11699	0.7
199.13313	1.5
205.22702	0.5
211.13307	0.5
228.13573	0.9
248.20995	0.5
249.22183	0.7
250.08450	0.5
265.21786	0.6
285.05807	0.6
293.21204	9.8
294.21457	1.0
309.20844	0.6
311.22263	100.0
312.22626	11.6
385.25626	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.2592
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67784	0.3
57.03315	1.1
58.00462	0.7
59.01254	6.0
59.90203	0.4
67.53136	0.4
69.03323	0.5
69.08955	0.4
69.33273	0.6
69.33608	3.6
71.01232	1.8
72.89156	0.3
72.95019	0.4
73.02831	0.7
83.04871	0.4
84.02012	0.5
85.02805	0.9
89.02296	2.9
91.03878	12.3
95.54321	0.4
98.20599	0.7
99.08029	2.4
111.08089	0.7
113.09603	3.5
121.02769	0.5
121.06456	0.4
123.08023	0.6
127.07514	1.3
129.09106	5.0
129.90089	0.4
139.11157	0.6
141.09103	0.4
151.11203	1.1
153.09212	0.5
153.12773	0.7
165.12772	0.5
167.14331	0.8
168.03700	0.4
169.12236	3.0
171.10092	1.0
177.12799	0.4
179.63124	0.4
181.12204	3.8
183.13818	2.5
193.12317	2.3
195.13748	0.9
197.11761	8.6
199.13321	4.5
211.13330	19.3
212.13695	1.5
224.38361	0.4
231.21150	0.4
265.21582	0.6
275.20093	1.0
279.11716	0.4
293.21188	14.4
294.21603	1.3
311.22250	100.0
312.22565	10.3
327.23364	0.4
367.18741	0.5
385.20544	0.7
385.25897	5.2
386.26483	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.2597
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39953	0.5
59.01249	3.7
61.98680	0.7
64.15843	0.5
70.53137	0.4
71.01268	0.7
71.52020	0.8
78.78712	0.4
78.95789	0.6
85.02821	1.7
89.02312	0.7
91.03881	0.9
111.90580	0.5
113.09625	0.7
115.07532	0.8
121.02825	1.1
122.03129	0.6
131.08195	0.5
134.48618	0.5
134.49736	0.5
165.12737	0.7
167.14313	3.4
183.13841	2.6
192.52353	0.6
195.13846	11.6
204.69641	0.5
211.13329	1.1
213.14854	1.5
217.86722	0.5
222.95566	0.5
242.15143	1.0
249.22070	0.8
267.23386	0.6
280.25018	0.5
293.21216	11.2
294.21570	1.3
301.62506	0.5
311.22269	100.0
312.22659	10.4
385.25952	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	385.2594
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48642	0.5
59.01219	0.7
62.92364	0.5
69.52368	3.8
83.04889	0.5
91.03867	1.7
98.10075	0.5
98.19772	0.6
110.16935	0.5
113.09573	0.8
115.07555	1.4
122.06512	0.5
127.07531	0.6
138.30699	0.6
145.17435	0.5
167.14322	3.3
183.13815	1.9
192.63867	0.6
195.13832	10.4
196.14139	0.6
213.14772	0.9
242.15276	0.9
249.22095	1.4
265.21530	0.7
267.23184	0.8
286.13605	0.6
293.21188	9.3
294.21539	0.8
311.22253	100.0
312.22580	11.7
385.25958	1.6
404.86511	0.7
406.09744	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.2593
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03328	0.4
57.56466	0.4
59.01233	1.4
69.03330	0.4
69.19557	3.4
71.01236	0.6
71.04884	0.4
75.64837	0.4
85.02813	0.7
91.03864	1.1
97.06459	0.5
98.19777	0.7
98.25127	0.4
109.21721	0.4
111.08032	0.5
125.09596	1.6
127.11095	0.6
129.09142	0.7
139.11157	1.1
140.35117	0.4
150.10381	0.6
151.11150	0.4
153.12726	0.6
163.11174	5.4
165.12761	0.9
167.10696	1.6
167.14308	0.9
168.11406	1.5
181.12285	1.0
182.12988	1.0
183.13672	0.6
185.11801	0.7
191.63370	0.4
197.11743	1.1
199.30875	0.4
207.09999	0.8
211.13339	1.1
249.22255	5.0
293.21216	95.7
294.21533	10.3
299.07388	0.4
301.50296	0.4
310.20627	0.4
311.22263	100.0
312.22580	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	385.2231
Annotation	Oleandolide
Peak:m/z	Relative Intensity
59.01250	4.6
61.98684	0.8
70.66873	1.1
71.01249	1.1
73.42720	0.4
75.75070	0.6
82.34071	0.5
85.02798	1.1
86.04770	0.5
89.02313	1.7
91.03895	2.5
97.06482	0.9
115.54643	0.6
121.02867	1.2
122.03619	1.4
125.02303	0.7
126.03104	0.8
139.75119	0.6
157.91487	0.6
167.14319	3.1
175.35461	0.5
180.96727	0.5
193.15883	1.9
207.17451	1.5
211.13278	0.7
223.20639	2.2
231.17467	0.9
249.18576	7.4
250.18935	0.5
267.19641	100.0
268.19958	9.6
275.16550	11.1
293.17581	69.2
294.17877	5.7
311.18643	14.3
311.22192	1.1
312.19019	1.4
367.21249	8.3
368.21399	1.2
385.22299	53.1
386.22653	6.6
405.55997	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22293	2.3
57.03332	2.9
59.01249	8.8
70.48497	9.9
71.01250	9.5
72.99172	12.5
80.95507	2.5
83.04887	2.7
85.02818	6.0
87.00753	3.7
99.00758	10.0
111.00757	5.0
112.98682	19.4
115.00259	7.4
119.38363	2.3
141.01892	3.3
142.99762	33.4
157.01367	5.1
158.47777	2.2
173.00803	20.1
174.01611	100.0
175.02313	8.9
201.03777	2.7
205.12280	6.7
207.13779	4.4
211.13342	26.9
211.16418	2.4
212.13716	2.9
220.87523	2.9
223.13359	23.7
235.13301	5.4
263.12878	8.7
267.12347	24.0
279.12415	2.8
281.14029	4.5
297.13464	4.0
300.38370	2.7
307.11856	10.1
325.12811	6.9
350.82373	2.8
367.13983	16.8
368.14325	2.7
379.83536	2.7
385.14822	14.5
385.25931	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1506
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25431	0.3
56.34636	0.3
57.03326	0.8
59.01250	8.0
60.76050	0.3
62.38882	0.3
70.98685	0.9
71.01263	1.8
72.99178	0.7
73.02813	2.6
75.00770	0.6
83.01245	0.4
85.02844	1.7
87.00754	4.7
87.04378	0.5
99.00756	1.9
101.02317	0.6
105.81149	0.4
111.00803	0.4
112.98696	0.4
113.02335	0.7
117.01802	1.1
125.02364	0.5
125.71850	0.3
133.10133	1.0
135.11697	13.2
135.12755	0.6
136.12053	0.6
141.01848	0.5
159.08066	0.6
161.04459	4.0
161.09602	2.8
167.06023	1.1
174.01619	1.5
179.05548	10.2
179.10699	100.0
180.05821	0.5
180.11049	7.6
203.10681	0.5
205.08661	1.1
211.13324	0.6
223.09712	28.1
224.09962	1.8
326.07831	1.8
367.13800	0.6
385.15030	18.9
386.15219	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1503
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81229	0.6
53.08486	0.7
57.03326	1.6
59.01252	5.0
69.81607	4.0
71.01244	4.1
73.02832	2.7
75.00737	0.7
80.55593	0.7
83.01249	0.8
85.02827	4.9
87.00726	3.7
89.02321	2.8
89.53761	0.6
90.46703	0.6
96.06689	0.7
97.02841	0.8
98.20065	1.7
101.02341	2.2
111.04375	0.9
119.03390	1.0
121.85172	0.7
125.02362	1.5
133.10098	1.4
134.90923	0.6
135.11688	13.9
137.72841	0.6
161.04480	3.7
161.09644	4.0
179.05566	7.1
179.10692	100.0
180.11049	6.1
191.01871	1.3
205.08678	1.5
223.09702	38.4
224.10027	2.1
385.14999	48.9
386.15295	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	13.7
61.98656	1.0
69.27322	5.5
69.27746	4.8
71.01270	1.6
73.02821	1.4
78.69524	1.1
85.02817	2.2
87.00742	3.3
94.39088	1.1
94.60014	1.0
98.47585	1.0
101.60087	1.0
105.22117	1.1
125.26528	1.1
133.10091	1.1
135.11705	18.3
161.04512	2.0
161.09647	2.6
179.05531	3.4
179.10709	100.0
180.11002	5.7
214.38547	1.3
223.09677	18.7
224.10023	1.7
385.15085	4.1
390.80408	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	385.1502
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78982	0.8
59.01254	0.9
67.18176	0.6
71.01253	1.5
71.38438	0.7
73.02804	2.1
78.92149	0.9
81.69624	0.8
84.70686	0.7
85.02808	1.1
87.00731	3.2
109.13793	0.8
111.04394	1.0
130.08086	0.7
132.34306	0.7
133.10124	1.2
135.11685	17.6
161.04466	2.7
161.09584	3.3
179.05603	5.7
179.10689	100.0
180.11037	7.7
184.59457	0.7
187.53525	0.7
188.57715	0.7
195.02837	0.8
204.49712	0.9
205.08719	1.1
223.09698	45.4
224.10045	3.3
229.70543	0.9
337.49283	0.8
339.05075	0.9
350.99628	0.9
385.15018	38.0
386.15369	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01770	2.9
55.30548	2.0
57.03322	3.6
59.01251	100.0
65.93162	2.1
69.24600	14.3
69.25018	7.4
71.01256	31.8
72.99172	9.0
73.02822	6.3
75.00731	2.2
83.01231	2.1
85.02845	11.7
86.13081	1.9
87.00729	3.4
89.02321	27.3
95.01243	2.0
99.00758	6.9
101.02335	12.1
111.00767	3.7
112.98692	5.4
113.02307	10.4
115.00241	2.6
119.03383	9.8
125.62791	2.4
131.08119	3.6
133.10146	2.4
135.11731	14.4
142.99773	8.6
151.07570	2.0
153.09151	5.6
157.01260	2.4
173.00844	5.7
174.01627	23.8
175.90434	2.2
179.05540	3.9
179.10693	96.5
180.11057	2.7
181.05055	3.4
205.12251	8.9
208.07230	2.0
211.13322	12.4
217.03029	2.3
217.98621	2.0
223.09724	25.3
223.13364	9.2
251.12779	2.4
263.12839	4.4
267.12335	7.7
307.11853	5.9
325.12582	2.6
367.13931	4.8
370.46024	1.9
385.05658	8.7
385.14667	13.9
385.22565	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1502
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03308	4.0
59.01240	7.7
61.98687	4.3
71.01245	7.3
71.37051	2.9
72.99168	11.6
73.02789	2.0
83.01250	5.4
83.04891	1.7
99.00764	15.4
108.02045	2.4
111.00775	3.7
112.98691	19.5
115.00220	6.5
117.01785	2.5
121.43604	1.9
142.99759	34.9
156.00542	4.1
173.00819	15.8
174.01614	100.0
175.02226	6.7
183.13777	2.0
195.13820	4.3
205.12157	4.9
207.13783	3.5
211.13309	31.4
212.13644	2.3
219.13895	2.2
223.13335	22.6
224.13718	2.6
225.14973	1.8
237.11078	2.6
237.14870	2.2
245.11833	2.0
249.11313	3.1
261.14865	2.2
263.12903	7.2
267.12311	22.3
268.12665	1.9
275.12802	2.2
279.12350	3.2
281.13876	2.5
287.13058	2.1
293.13892	3.4
307.11795	16.7
319.00540	1.8
325.12817	4.4
349.12796	4.4
367.13907	24.6
368.14310	2.6
385.14984	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66005	1.5
57.03310	3.8
59.01249	13.5
61.98671	4.4
68.99678	1.7
69.03316	1.9
71.01248	13.0
71.05362	2.5
71.05708	2.1
72.99176	15.1
73.02828	2.0
75.00731	2.4
78.95776	1.4
83.01238	4.8
83.04878	3.3
85.02812	2.7
87.00767	3.1
99.00750	13.6
101.02310	1.9
108.02067	2.1
111.00758	4.5
112.98698	24.5
115.00262	6.6
121.06503	1.8
124.98691	1.8
137.02393	2.6
139.03877	3.2
140.01097	1.6
142.99756	34.0
156.00478	3.3
166.71857	1.5
173.00806	16.3
174.01605	100.0
175.02257	7.9
177.05414	1.5
177.12770	2.2
179.10719	3.4
192.72249	1.7
195.13792	3.2
205.12186	4.2
205.26669	1.6
207.13864	2.5
211.13353	25.8
212.13591	2.4
219.13910	2.8
223.09723	13.3
223.13322	21.3
231.13857	2.0
235.13489	3.5
237.14862	3.4
239.12776	2.0
245.11678	2.2
249.14728	1.7
252.12990	1.6
263.12988	8.7
267.12402	22.2
268.12582	1.8
279.12384	3.6
281.13925	2.6
285.13245	1.9
297.03912	1.6
305.13889	2.3
307.11874	13.2
308.11984	2.1
325.12750	4.1
343.20929	1.9
349.13022	2.1
367.13950	31.0
368.14325	3.9
385.05557	2.6
385.14731	4.5
385.22220	4.0
388.93335	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	385.1502
Annotation	Unknow
Peak:m/z	Relative Intensity
53.85257	0.9
55.01748	1.7
57.03315	1.3
59.01249	38.2
60.01561	1.0
68.99684	1.8
69.32374	9.7
71.01248	8.9
72.99171	3.6
73.02834	2.2
83.01252	6.3
83.04874	1.3
85.02818	4.5
87.00732	2.3
95.04906	1.1
99.00764	8.0
101.02345	2.2
108.78207	1.1
109.06448	3.9
111.00722	1.4
112.98670	1.2
113.02315	1.5
115.00263	3.1
121.06443	4.0
122.03577	1.5
124.01559	1.3
124.98729	6.6
129.01775	1.9
135.08031	1.9
135.11641	2.0
138.03123	4.5
142.99765	25.3
154.99750	11.6
159.33476	1.1
162.71684	1.1
165.12790	1.2
172.99442	1.5
173.00821	19.2
174.01520	3.5
175.02333	3.5
177.12787	2.3
179.10641	9.8
179.14296	1.3
183.13800	4.7
191.14325	1.1
195.13791	2.0
199.37833	0.9
205.15964	2.2
211.13348	21.2
211.16928	2.9
219.13773	1.4
221.11789	3.2
221.15385	3.3
223.09688	5.6
223.13339	2.6
226.07166	1.1
235.13338	1.9
237.14926	16.3
239.12811	2.3
239.16496	14.2
247.13382	2.3
249.11192	2.9
249.14923	11.5
250.15150	1.2
251.13167	1.1
251.16586	3.0
253.14310	1.4
255.15953	8.1
259.13205	1.7
265.14392	5.2
267.12341	11.2
267.15964	5.5
277.14438	2.0
283.15543	2.4
287.53708	1.1
295.15454	3.1
297.13333	1.2
311.11328	4.7
311.14703	1.7
355.13962	79.4
356.14215	7.5
367.13596	1.6
385.15012	100.0
385.22800	2.8
386.15311	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	385.1502
Annotation	Macrosphelide K
Peak:m/z	Relative Intensity
55.01736	1.4
57.03312	3.6
59.01247	19.6
67.01758	0.7
69.03338	0.8
70.41589	2.4
71.01250	7.0
72.99169	2.4
73.02826	1.4
73.25636	0.6
83.01256	7.3
85.02818	13.4
85.10003	0.6
87.00746	36.8
87.04401	0.7
88.01076	0.8
94.26189	0.6
97.02786	0.7
97.06472	2.8
99.00762	1.1
111.00759	8.2
111.08040	1.8
112.98652	1.6
113.02329	9.6
115.00256	54.2
116.00568	1.6
125.05953	1.1
127.11185	1.3
129.01837	4.7
137.09607	1.8
139.00266	17.3
151.11273	0.7
157.01329	40.9
158.01709	1.1
165.12756	28.2
166.13132	1.7
175.02393	23.5
179.14285	0.9
183.13823	100.0
184.14175	5.3
197.15417	2.3
205.03508	1.9
207.13867	1.3
209.11751	4.1
209.15381	1.7
225.14874	1.2
227.12840	65.1
228.13123	4.1
263.20251	0.9
269.13962	1.0
325.20230	3.3
327.21713	1.3
343.21225	20.2
344.21381	1.3
367.13937	6.9
368.14529	0.8
385.14990	72.8
385.21964	6.4
386.15311	8.7
386.20172	0.9
386.21854	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1141
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00116	0.7
56.20240	0.7
69.22803	0.8
93.03360	1.3
121.02836	6.6
135.04408	2.2
149.02350	36.9
150.02676	1.2
152.01082	6.0
163.03958	4.7
164.04698	26.4
164.22668	0.9
165.01839	2.8
167.03456	1.3
169.04979	3.1
179.07066	10.9
179.10597	1.1
180.07304	1.0
193.01340	17.0
193.03008	1.6
208.03735	30.4
209.04070	2.4
223.06076	100.0
224.06418	6.2
247.32520	0.8
261.55609	1.0
385.11206	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1139
Annotation	Unknow
Peak:m/z	Relative Intensity
56.74549	0.5
57.03329	2.7
59.01256	2.9
70.35995	0.7
70.36331	1.6
71.01225	2.6
75.00723	0.8
84.02030	0.7
85.02821	23.5
87.00786	0.8
89.02328	0.9
91.95441	0.5
93.03335	1.5
95.04838	0.5
101.63864	0.7
115.00296	0.6
121.02847	12.2
129.01813	1.4
133.01331	1.1
134.03633	1.2
135.04414	2.2
147.02902	2.2
149.02345	84.1
150.02690	3.4
152.01027	4.5
163.03865	2.8
164.04701	73.4
165.05038	4.1
169.04988	1.7
179.07053	24.9
180.07500	0.7
191.01875	4.9
193.01331	8.6
208.03714	23.2
209.02853	10.1
215.33633	0.6
223.06082	100.0
224.06429	7.0
265.07230	0.6
385.11520	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1139
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63287	3.1
50.75607	3.1
54.55346	3.4
57.03287	2.8
59.01239	9.6
65.70512	3.6
69.84319	14.7
69.84727	6.7
71.01243	9.3
73.02814	3.3
75.00746	4.3
83.01259	4.8
85.02840	23.7
87.00749	7.3
98.20544	5.0
107.52866	3.4
115.00236	10.1
118.58712	3.1
122.44756	3.2
167.40558	3.8
174.01627	85.0
175.02328	10.7
223.04491	4.8
267.08780	3.6
295.08194	9.0
309.44116	3.4
325.09235	13.0
343.41937	3.9
347.47079	3.7
385.06583	6.7
385.11374	100.0
386.11520	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	385.1139
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	2.0
59.01253	2.7
61.33285	0.5
61.98702	9.8
65.00190	0.7
67.01775	0.6
69.35085	3.8
69.35502	0.7
71.01256	2.1
75.00745	0.5
83.01260	1.5
85.02823	12.9
85.17822	0.4
87.00749	1.1
92.83670	0.5
93.03354	1.8
98.19815	1.0
98.20419	1.1
101.02338	1.0
101.33472	0.6
107.04924	0.7
108.00237	0.5
109.02843	0.6
111.00758	1.9
121.02843	7.1
125.02329	0.6
129.01767	2.3
134.03667	0.7
135.04411	4.0
137.02332	1.1
147.02902	1.3
149.02341	38.4
150.02713	1.3
150.06740	3.0
151.03857	0.9
151.07628	1.0
152.01051	6.9
157.08626	0.7
161.02374	0.5
161.04471	0.8
162.06754	4.4
163.03905	5.9
163.07596	1.7
164.04700	32.1
165.01883	2.4
165.05133	1.6
167.03419	1.1
169.04982	3.2
173.00681	0.5
173.10934	0.5
174.01610	1.9
175.00310	0.5
179.03473	1.5
179.05534	1.2
179.07051	10.8
179.10683	4.7
180.04276	0.7
180.07861	7.9
181.08617	7.0
188.79855	0.5
191.01897	4.0
193.01346	16.3
194.01706	1.0
197.48950	0.5
205.03473	1.7
205.05049	1.3
208.03702	38.7
209.04121	2.2
215.15350	0.5
223.06110	100.0
224.06429	6.9
272.60892	0.5
385.11163	2.8
402.44217	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.0776
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01755	1.5
57.03324	14.2
58.80664	1.4
59.01255	8.7
71.01255	9.1
71.41217	2.6
72.99172	3.3
75.00748	1.6
83.01257	4.9
83.14735	1.5
84.02052	1.8
85.02821	100.0
85.45800	1.4
86.03172	2.0
87.00740	2.4
89.02317	3.3
101.02293	4.5
103.00269	2.6
109.44441	1.5
110.62658	1.7
111.00758	10.5
121.02837	1.7
129.01828	10.5
133.01286	1.8
134.03609	2.3
135.04434	1.6
147.02910	8.0
149.02342	15.9
152.01041	1.7
163.03856	1.5
164.03639	1.5
164.04718	16.3
169.05049	1.9
174.01553	2.1
179.07047	5.6
184.02626	4.5
191.01892	25.0
193.01279	2.8
205.03439	8.2
208.03693	8.2
209.02937	32.6
223.04181	20.2
223.06479	16.7
231.37314	1.4
238.85486	1.5
244.04707	2.1
385.11313	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	385.0775
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01770	2.2
57.03322	13.7
59.01248	7.3
59.88327	0.4
63.46619	0.4
70.40800	1.0
70.41151	0.7
71.01249	3.4
72.99188	1.6
75.00748	1.9
83.01266	2.1
84.02046	2.5
85.02823	100.0
86.03170	1.7
87.00742	0.9
101.02332	0.7
103.00245	1.6
104.45488	0.3
111.00737	0.9
115.00253	0.7
117.03331	0.5
129.01810	6.3
133.01328	0.6
134.03627	5.1
135.04080	0.4
147.02888	8.7
176.60977	0.4
191.01889	24.4
192.02261	0.7
193.04965	3.4
209.01065	0.6
209.02971	8.5
223.04533	0.9
236.52293	0.4
305.02432	0.4
409.29062	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.0774
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01749	2.9
55.71245	1.0
57.03056	1.4
57.03318	16.6
59.01246	10.2
62.86831	1.2
70.00716	2.2
70.01110	2.9
71.01241	8.0
72.99176	3.3
73.02820	1.7
75.00739	2.0
75.06020	1.5
83.01246	2.9
84.02029	2.5
84.38776	1.1
85.02819	100.0
86.03150	1.7
87.00751	3.5
87.64906	1.2
89.02332	1.9
101.02328	1.9
103.00227	1.2
111.00758	9.2
113.00548	4.6
115.00246	1.6
116.59004	1.1
119.71713	1.1
123.65813	1.4
126.98543	1.3
128.03398	1.7
129.01854	8.9
134.03586	5.5
138.62041	1.0
143.04463	1.7
147.02914	5.8
174.01555	5.1
191.01889	15.5
193.04971	2.7
198.84822	1.2
205.03387	6.5
207.23253	1.2
209.02985	11.5
223.04532	14.2
243.20679	1.1
385.11407	4.4
407.02634	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	385.078
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01745	2.3
57.03324	12.8
59.01255	14.5
71.01253	10.6
71.29750	1.6
72.99182	4.5
73.02842	1.6
75.00742	3.8
83.01259	5.5
84.02045	2.8
85.02828	100.0
87.00748	3.6
89.02308	3.1
93.03344	2.2
99.00757	1.4
101.02315	7.3
103.00214	1.4
111.00772	17.6
115.00253	2.8
119.04925	1.2
121.02840	11.8
129.01843	16.5
133.01315	3.5
134.03630	4.4
135.04463	3.4
147.02878	5.2
149.02353	76.8
150.02667	2.7
152.01050	5.6
157.01640	1.3
163.03876	4.1
164.04709	77.4
165.05060	3.9
167.03271	1.3
169.04988	2.1
174.01630	18.1
179.03461	2.7
179.05507	2.1
179.07057	26.2
180.07372	1.6
191.01924	19.5
193.01341	9.7
193.04906	1.6
200.77374	1.2
205.03497	15.4
208.03735	26.6
209.02959	35.0
221.31210	1.7
223.04448	40.4
223.06081	90.7
224.04594	2.2
224.06432	4.1
265.07108	1.5
325.09149	3.0
385.11365	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	384.3118
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08410	3.0
51.72068	3.0
56.12421	3.5
59.01249	100.0
67.66005	3.3
69.73593	13.2
73.22971	3.4
89.11310	2.9
98.19849	4.2
98.22066	3.1
105.36786	3.2
128.10043	3.5
192.24142	3.6
233.01706	3.2
246.97395	3.7
385.34659	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	385.0775
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	11.3
59.01246	8.1
70.41188	8.0
71.01251	5.6
79.48344	2.3
83.01249	2.9
85.02821	100.0
86.03185	2.5
101.02287	2.4
111.00772	6.4
116.68907	2.1
126.19958	2.1
127.86026	2.1
129.01819	9.8
134.03679	2.6
147.02919	7.3
164.04742	2.9
174.01547	2.4
191.01904	29.8
205.03423	4.3
207.96843	2.4
209.02966	15.8
223.04451	14.4
262.23090	2.4
404.45609	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2916
Annotation	Unknow
Peak:m/z	Relative Intensity
54.15438	0.6
54.69887	0.5
58.02837	1.1
59.01256	4.3
69.61533	4.6
71.01246	2.9
72.99235	0.6
73.02818	0.7
74.02331	1.6
81.04471	0.6
82.02838	1.7
83.06010	3.4
84.04421	3.8
85.02807	0.9
88.74389	0.6
89.02314	2.9
97.03976	0.8
98.19849	1.4
101.02326	1.5
101.07087	7.4
107.02383	0.9
109.03949	6.8
113.02316	1.2
125.03440	1.8
127.05029	47.7
128.03429	11.2
128.05362	1.2
135.39645	0.6
145.06088	44.2
146.06389	0.9
161.04381	0.9
237.22186	2.7
246.20358	0.6
254.24866	25.2
255.25264	3.1
280.26385	1.3
298.23813	2.9
321.29095	27.4
322.29388	2.6
323.09894	1.7
339.30255	3.6
341.11035	1.2
365.27985	6.4
383.29135	100.0
384.29471	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	383.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	0.5
59.01248	3.7
63.46760	0.5
68.87904	0.5
70.52124	0.8
70.52497	1.5
71.01252	1.1
73.02818	0.7
89.02322	1.4
91.03870	2.7
92.77104	0.5
97.06483	0.7
101.02293	0.6
111.07962	0.5
113.02287	0.8
113.09614	1.6
115.07527	1.1
125.05993	1.0
137.69177	0.5
141.09067	0.8
161.04504	0.6
163.11195	0.8
163.64180	0.5
164.11533	0.6
164.93477	0.5
165.12749	2.8
167.14304	1.6
181.12259	2.7
183.13873	0.9
192.17854	0.5
193.12250	1.3
195.13821	2.3
197.39618	0.5
211.13293	3.1
213.14938	1.1
221.15367	2.5
240.13655	1.0
241.14458	0.8
245.02573	0.6
247.20651	3.5
257.58377	0.6
263.20157	1.0
265.21664	0.8
273.18710	3.1
281.21255	1.4
291.19659	36.7
292.20029	3.5
309.20700	100.0
310.21030	9.4
314.17270	1.5
383.24179	5.1
384.24884	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.0985
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	100.0
68.72760	0.7
69.22533	1.9
69.22947	5.6
71.01270	0.9
71.40441	0.7
76.87222	0.7
78.95791	1.8
83.01226	0.6
87.02798	0.7
93.03337	4.1
96.84602	0.7
98.19814	1.1
100.50967	0.7
103.89265	0.8
132.12085	0.6
137.02348	11.7
161.04436	0.9
193.98288	0.6
281.06696	3.0
371.00385	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2436
Annotation	Unknow
Peak:m/z	Relative Intensity
54.65850	0.4
57.03304	0.8
58.07412	0.4
58.72762	0.4
59.01247	4.7
61.98698	0.5
63.43784	0.4
70.65009	0.5
70.65376	1.2
71.01252	1.6
76.50593	0.4
79.49600	0.4
83.04881	0.6
85.02806	0.6
85.50716	0.4
87.00763	0.4
89.02338	2.0
91.03880	3.0
91.04374	0.6
95.04895	0.5
97.02782	0.5
97.06449	1.6
98.19917	0.5
111.08050	0.9
113.02353	0.9
113.09602	2.1
115.07511	1.2
121.34437	0.4
125.05955	0.8
126.06787	0.7
134.65712	0.4
139.11159	0.5
141.09071	1.0
150.37746	0.4
156.90176	0.4
161.04451	0.7
162.92421	0.6
163.11240	0.5
165.12764	2.5
165.13943	0.4
167.10713	0.6
167.14334	2.3
169.12256	0.4
179.14394	0.5
181.12279	2.9
183.13846	1.1
190.40764	0.5
193.12225	1.4
195.13799	2.6
196.14175	0.5
197.11839	0.8
198.58989	0.5
209.11908	0.6
211.13370	3.3
213.14914	1.0
221.15392	2.3
229.14366	1.0
240.13603	1.2
241.14471	0.6
247.20657	3.6
248.21028	0.5
259.98840	0.5
263.20248	0.7
265.21625	0.6
273.18680	3.0
274.18811	0.7
281.21216	2.0
291.19650	35.7
292.20010	4.1
309.20688	100.0
310.21045	10.8
314.17331	1.2
341.11014	0.6
349.56857	0.5
383.11877	0.5
383.18506	1.4
383.24319	7.1
384.24426	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.0982
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26561	0.7
55.01752	4.5
59.01248	100.0
59.39159	0.7
60.01593	1.3
69.17481	5.8
69.17889	1.2
70.89526	0.7
71.01234	1.7
71.16414	0.7
72.99200	0.7
73.02824	1.3
76.03808	0.8
78.95755	1.5
83.01283	1.7
85.02876	0.9
87.00748	0.6
93.03339	5.0
99.00782	1.1
100.28793	0.7
113.02366	0.8
131.53630	0.7
136.60420	0.6
137.02336	9.9
152.99504	2.0
154.99756	21.7
156.00188	0.9
162.13068	0.8
183.13857	1.1
188.06747	0.7
258.24881	0.7
280.87558	0.7
281.06723	3.5
323.09781	1.0
341.10791	1.1
383.13824	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.0771
Annotation	Decaketide tricyclic intermediate
Peak:m/z	Relative Intensity
59.01251	9.0
61.98693	2.9
68.99670	1.0
69.66537	1.4
69.66934	4.8
71.01250	5.3
73.02826	1.4
74.02335	1.4
78.58110	0.7
80.76368	0.7
83.01241	0.9
85.02822	1.5
87.00750	2.0
89.02314	2.8
101.02316	3.0
113.02332	3.0
121.02840	100.0
122.03196	3.9
142.47035	0.8
144.10399	1.0
144.97504	0.7
147.04401	1.6
149.02353	2.9
161.04448	1.7
181.06535	4.5
191.03427	8.8
223.07767	0.9
225.05556	8.1
240.30736	0.9
243.52173	0.8
251.07153	3.6
291.19626	1.2
295.06122	12.7
309.20636	1.3
311.09235	18.2
312.09445	2.2
313.07156	22.9
314.07468	2.2
323.09763	2.6
339.08685	20.0
340.08972	1.9
341.10779	2.3
383.07718	30.2
384.07983	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	382.1143
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	11.7
69.39311	1.6
69.39720	3.2
71.01260	8.5
72.99180	2.9
73.02800	1.6
75.00744	17.8
81.29803	0.6
83.01257	1.0
85.02818	3.2
85.26944	0.6
87.00746	15.6
88.22472	0.6
89.02307	4.9
95.01245	0.8
98.02333	0.9
99.00777	1.0
101.02306	5.2
113.02324	2.5
115.05418	5.9
116.04916	3.3
117.01765	0.8
119.03394	2.5
126.90009	0.7
130.05565	1.2
130.06509	9.0
132.04442	26.2
132.05438	1.3
133.04747	1.1
144.04454	1.8
146.05997	0.9
158.06018	100.0
159.06364	5.4
161.04492	0.9
174.05501	5.1
176.07082	1.9
176.89995	0.7
190.67690	0.6
202.05017	41.2
203.05380	2.4
220.06134	8.0
237.06087	8.1
249.06102	10.5
262.07211	1.2
382.11401	49.3
383.11752	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	382.2962
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21645	1.3
59.01252	100.0
66.90953	1.7
71.01254	1.8
71.02435	2.5
71.02763	2.4
77.34307	1.6
87.00763	1.8
175.93767	1.3
236.48775	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	382.1141
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	100.0
68.01280	13.2
71.01245	18.6
71.49765	6.5
73.02792	6.5
73.46076	4.1
76.55817	5.5
78.95779	5.6
85.02799	9.7
95.59724	4.7
110.02326	12.2
113.02323	11.7
135.04425	4.6
147.04410	19.3
161.04431	17.5
203.05553	8.3
230.06670	22.5
276.08887	8.7
301.33450	5.0
357.24765	5.3
374.96210	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	382.114
Annotation	Unknow
Peak:m/z	Relative Intensity
54.70034	2.8
57.03337	3.6
59.00961	5.8
59.01248	100.0
70.17206	12.1
71.01257	7.5
78.95754	3.7
85.02814	9.6
87.00741	9.1
98.20385	6.5
101.02356	4.7
115.50730	2.9
115.64732	3.2
135.04430	5.4
147.04433	25.6
152.01340	3.1
152.77670	3.5
159.02782	3.5
161.04405	3.8
171.60199	3.2
190.18095	3.3
205.03574	5.2
276.08698	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	381.1917
Annotation	Cinncassiol C3
Peak:m/z	Relative Intensity
55.00252	0.3
57.03304	0.4
59.01249	3.1
69.03316	0.4
69.22289	3.0
71.01231	0.3
84.58093	0.4
87.04332	0.4
96.95895	0.3
123.68848	0.3
160.80399	0.3
177.05322	0.3
217.15929	0.4
225.13034	0.3
225.18591	0.3
229.80592	0.3
245.19058	0.4
257.18958	0.7
301.18195	0.4
319.19244	1.3
321.21802	0.6
337.20193	4.2
338.20468	0.8
345.16968	0.4
363.18103	7.2
363.22415	0.6
364.18265	0.7
366.11099	0.3
381.19153	100.0
382.19519	11.5
382.23209	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.2644
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12516	1.2
58.34024	1.2
59.01242	4.2
67.99547	1.2
71.50254	1.8
78.95779	23.6
96.96835	1.8
105.13956	1.3
117.53291	1.2
137.05913	1.4
145.05486	1.1
152.99484	37.7
153.99757	1.4
165.12781	1.2
167.35873	1.3
170.05714	4.2
179.10739	1.7
181.12280	4.1
196.94154	1.4
199.13293	9.0
233.19083	1.8
251.20132	3.8
277.18088	73.1
278.18546	7.8
279.19672	23.7
280.20096	1.8
295.19144	100.0
296.19595	10.0
345.24573	1.7
363.25400	15.3
364.25620	1.3
381.20569	3.8
381.26413	7.6
388.71454	1.7
404.43051	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	381.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	100.0
69.24888	2.7
69.25310	6.4
71.01246	2.2
73.02814	1.8
76.79246	0.9
85.02824	1.3
89.02274	1.5
91.15971	0.9
101.02309	1.7
113.02283	1.1
126.99975	0.9
159.04375	1.3
161.04486	1.3
178.76433	1.0
229.36732	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1555
Annotation	Yadanziolide V
Peak:m/z	Relative Intensity
57.03273	2.0
58.00476	20.4
59.01252	37.4
63.49864	1.6
69.75009	10.5
71.01257	6.8
73.02818	20.5
85.02834	1.9
87.04382	1.7
87.91518	1.5
99.04416	2.7
103.66239	1.5
109.25340	1.7
141.08345	1.8
143.04556	1.8
197.13295	4.5
201.12766	5.8
215.14282	2.3
225.92958	1.8
227.14352	1.7
233.15463	2.8
239.14429	9.4
257.15408	10.5
273.14960	9.3
275.16553	13.0
293.17572	58.4
294.17911	4.2
319.15515	5.1
337.16547	22.3
338.16913	2.3
372.70255	1.7
381.15540	100.0
382.15897	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	381.1192
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06453	1.4
53.16215	1.3
57.03318	3.1
59.01254	15.5
67.01730	2.0
68.99674	1.5
69.26367	13.5
71.01248	13.3
71.59531	1.4
72.99173	3.5
73.02810	2.2
83.01222	6.9
85.02826	19.3
87.00751	42.4
93.70268	1.4
95.01250	1.4
96.95878	2.0
111.00778	2.3
112.98702	1.9
113.02303	3.8
115.00258	65.2
115.01083	3.1
121.02827	4.0
123.07962	1.7
129.01823	4.2
130.54175	1.7
133.10089	2.1
135.11691	17.9
139.00267	2.9
152.42032	1.4
157.00133	2.4
157.01337	28.6
161.09619	4.3
175.02409	95.9
175.11157	2.1
176.02701	3.4
177.05515	2.9
179.10710	100.0
180.11014	5.8
213.14941	1.8
223.09766	11.6
224.10080	1.6
337.12778	6.5
381.11813	20.5
381.15778	3.3
382.12219	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	380.2806
Annotation	Unknow
Peak:m/z	Relative Intensity
56.98106	1.1
59.01247	1.9
61.98698	1.2
69.26600	13.4
69.43816	1.5
72.04424	3.2
74.02345	100.0
78.95776	1.5
118.04985	4.4
152.99455	2.9
163.11201	4.6
165.82819	1.4
189.93414	1.5
205.12271	4.5
243.51427	1.3
290.24902	6.0
292.26480	5.8
299.25836	2.7
318.24362	20.5
318.27911	1.7
319.24548	1.8
336.25415	58.5
337.25772	8.5
380.28070	27.1
381.24231	7.6
381.28476	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	380.2803
Annotation	Unknow
Peak:m/z	Relative Intensity
53.29050	0.9
59.01248	100.0
60.01589	1.4
67.57127	1.0
70.08479	4.4
73.07890	0.9
78.95772	3.9
96.95880	1.1
152.99489	7.7
155.98190	0.9
176.16324	1.0
188.55527	0.8
265.74689	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.2052
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75563	0.3
59.01244	0.6
61.98700	100.0
71.06581	0.8
78.95762	1.7
126.36458	0.4
152.99480	2.5
161.49428	0.3
169.58678	0.3
180.01434	0.5
295.22903	0.8
380.20361	5.3
381.20746	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.1574
Annotation	cis-zeatin-9-N-glucoside
Peak:m/z	Relative Intensity
59.01250	0.6
69.43850	1.7
69.44256	0.7
71.01270	0.3
76.89837	0.3
101.02347	0.6
119.03490	0.4
122.02259	0.4
134.04608	0.7
135.02983	1.0
137.04570	0.8
146.02402	0.7
148.02571	0.6
149.03339	15.9
150.04126	4.9
160.02574	1.5
162.04124	100.0
163.04916	10.4
164.05688	33.2
165.05991	1.1
174.04105	1.0
191.04416	12.7
192.05191	1.9
202.07245	0.8
206.03098	0.6
216.08856	0.4
217.09654	0.4
218.10403	7.6
219.10612	0.5
232.12044	2.4
260.11511	83.2
261.11807	6.5
340.13025	0.3
353.99768	0.3
380.15720	6.1
381.16074	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.1648
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03338	1.5
58.99467	5.7
59.01242	3.8
61.98685	2.5
65.99712	1.7
68.01283	1.7
68.04913	1.3
69.03330	1.8
69.16414	2.9
69.16812	11.4
74.02338	19.9
86.98982	1.8
87.02609	2.8
88.03915	3.8
88.32761	1.3
96.03227	1.2
96.95852	1.3
97.03944	4.2
97.06488	2.7
99.05518	6.3
100.00272	7.1
101.04183	3.5
109.03949	5.5
110.04740	1.4
111.05505	11.1
111.08035	62.4
116.01635	21.1
119.08594	1.6
120.08047	1.1
121.06463	2.8
122.05990	2.9
123.05537	14.4
123.08035	5.2
124.07549	1.4
125.07092	53.6
126.07453	2.3
134.09586	1.2
135.06699	1.3
136.07574	4.5
137.09541	2.0
142.69284	1.3
143.04510	11.8
144.07991	2.9
146.09647	4.5
150.09100	1.6
151.05026	9.7
152.05791	1.1
152.10660	2.6
153.02969	1.6
155.08908	22.2
160.00670	2.1
160.10054	1.3
162.09142	2.4
163.11125	1.7
164.10683	4.3
165.12744	2.8
167.04523	2.1
169.06090	2.7
171.10155	3.5
179.11853	1.7
191.31232	1.3
192.13885	3.8
197.11746	2.0
201.10257	1.9
203.10075	2.5
203.11832	28.4
204.12138	2.6
206.10555	1.8
207.11342	2.0
217.00165	1.8
218.15425	6.1
221.12889	64.9
222.13174	3.8
223.10831	3.4
226.12672	1.2
247.10841	9.9
265.63297	1.3
275.17615	16.1
288.16760	2.3
289.17999	1.5
291.15399	2.3
291.19696	3.7
293.21106	1.5
295.14764	4.1
306.17896	3.0
309.16385	13.6
309.20279	3.1
319.16528	16.7
335.14215	2.2
346.17621	1.8
353.15369	100.0
354.15811	11.1
380.16519	21.4
380.24326	2.0
381.16840	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	379.1974
Annotation	JBIR-57
Peak:m/z	Relative Intensity
55.01747	1.0
57.03310	2.6
58.00454	1.8
59.01250	36.0
60.01562	1.0
70.42229	1.5
71.01253	18.3
72.99178	1.8
73.02805	1.7
75.00751	0.7
79.03033	0.7
83.01252	2.0
85.02818	6.4
85.06462	4.0
87.00739	1.6
87.04405	0.7
89.02316	14.8
89.31052	0.5
95.01254	1.4
96.95917	0.5
97.48709	0.5
98.19874	0.6
99.00776	0.7
99.08010	1.6
101.02323	12.9
113.02332	6.1
119.03394	5.2
120.99556	0.6
129.09103	0.6
141.12752	1.5
153.12735	0.7
161.04497	0.7
167.98537	0.6
171.13806	11.2
172.14110	0.7
179.05534	0.6
199.13344	2.9
201.14908	1.3
205.23531	0.6
216.38057	0.5
217.14398	27.3
218.14743	2.1
239.89905	0.5
259.15451	1.3
295.24896	0.6
379.19699	100.0
380.09146	1.3
380.20010	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	379.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	100.0
60.01590	1.5
71.01257	0.6
73.02839	0.7
85.02815	0.8
89.81292	0.5
101.02338	1.1
124.79237	0.7
225.11259	0.7
237.28114	0.6
253.10930	1.8
319.21399	1.0
343.25037	1.2
354.64340	0.6
376.56308	0.6
379.21335	3.2
380.21515	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.156
Annotation	cis-zeatin-9-N-glucoside
Peak:m/z	Relative Intensity
58.27361	1.4
59.01250	20.5
71.01254	32.0
71.04898	8.5
71.41204	2.4
73.02788	1.7
74.83672	1.4
85.02823	3.1
88.03914	5.9
89.02311	10.6
90.45797	1.3
99.00770	2.2
99.04406	2.0
99.27247	1.4
101.02322	9.8
113.02335	4.8
115.26189	1.2
116.07093	2.0
119.03416	2.2
122.90301	1.4
128.07024	3.2
146.08128	60.1
147.08551	1.8
195.19998	1.5
228.89053	1.5
308.13501	6.2
362.14511	1.8
380.15601	100.0
381.11502	2.0
381.15854	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	379.1608
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80259	1.4
56.74456	1.4
59.01249	100.0
70.04231	2.8
70.04619	4.0
71.01247	4.9
71.98325	1.4
72.02340	1.3
73.02819	1.8
85.02833	1.8
89.02319	3.7
101.02311	5.2
107.94894	1.5
119.03361	1.5
124.43327	1.4
135.04388	2.6
157.08609	2.3
165.86217	1.3
207.64607	1.6
217.10760	2.6
379.15967	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	379.1141
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	73.1
62.56878	5.4
67.01274	5.3
67.01720	5.2
71.01247	13.4
71.72179	5.5
73.02811	6.5
74.67946	4.8
75.66885	5.1
78.32610	5.2
83.01255	7.0
85.02818	14.5
87.00745	14.8
98.19805	16.5
99.00741	6.4
101.02307	8.8
104.03413	6.9
110.02398	8.3
113.02283	8.0
120.04455	6.4
120.42467	5.5
147.04294	7.5
148.03909	13.6
161.04388	9.4
173.03461	100.0
174.04280	69.3
174.05643	11.0
175.05046	73.7
178.05014	6.8
186.03992	7.4
190.05006	28.8
229.17122	6.3
232.06050	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	379.1146
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87502	7.9
55.84576	7.4
59.01252	72.4
71.01255	9.7
71.29688	6.8
85.02798	9.5
87.00745	14.3
98.20552	19.9
107.02757	8.2
111.62885	7.2
137.10776	7.4
147.04401	9.9
148.03909	18.3
173.03493	100.0
174.04269	56.2
174.05623	9.9
175.05051	68.3
190.05048	26.6
217.06160	8.7
219.96965	8.9
232.06201	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	378.1896
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01241	1.7
61.98703	100.0
62.10665	0.6
68.97243	0.5
69.46403	0.6
69.46725	4.7
73.87136	0.5
77.48109	0.5
85.64766	0.5
87.31028	0.5
93.40257	0.6
98.20511	1.4
101.10486	0.6
194.63449	0.6
198.34245	0.6
234.47182	0.6
322.31885	0.6
378.18774	5.4
379.19168	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.3012
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01260	0.7
65.77066	0.6
71.12881	0.6
71.15353	1.6
72.75548	0.7
114.09116	2.3
116.07057	100.0
117.07401	3.3
132.76556	0.6
138.60323	0.6
139.11763	0.9
139.90910	0.6
229.28139	0.6
285.52576	0.7
334.31287	1.6
378.30115	64.6
379.30554	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	379.0434
Annotation	Unknow
Peak:m/z	Relative Intensity
56.59792	1.9
56.99432	5.0
59.01251	9.6
66.92886	2.0
66.99481	1.8
70.10889	6.6
75.02255	4.4
81.73857	2.1
91.01737	2.5
121.02826	42.1
124.95364	1.9
161.02092	9.7
167.04930	3.4
187.00034	2.2
187.03903	2.2
196.05217	2.3
205.01080	5.1
209.04465	7.3
218.44135	1.9
265.04776	59.4
266.05048	4.6
309.03961	4.4
309.07361	45.0
310.07663	2.3
326.45395	1.9
335.78458	2.0
353.06403	94.9
354.06723	9.2
379.04327	100.0
380.04730	13.4
397.05374	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	378.1191
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01627	0.4
51.28428	0.5
52.21013	0.6
59.01247	100.0
60.01569	0.7
71.01251	1.4
71.50829	0.5
85.02824	2.2
94.43731	0.5
97.02851	0.7
98.37402	0.5
101.02306	0.7
119.04929	1.0
131.03717	0.5
135.04440	0.8
144.04486	0.7
145.04929	1.2
147.04405	10.2
148.04813	1.0
158.06075	1.3
161.04495	0.7
189.05501	0.5
276.08786	2.2
300.58124	0.5
336.10242	0.7
378.13397	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.1532
Annotation	Unknow
Peak:m/z	Relative Intensity
55.62896	0.8
56.83651	0.8
59.01244	3.7
61.98704	100.0
62.27345	0.8
69.21431	8.1
69.21850	1.9
71.01262	4.5
101.97969	6.0
138.16013	0.8
141.71368	0.8
145.96962	0.8
146.36339	0.8
155.99066	3.2
177.09172	2.1
190.10027	1.0
192.11501	3.5
205.12300	2.5
218.09492	1.6
219.97742	1.5
220.14639	36.8
221.15413	54.6
222.15752	3.5
224.19463	0.9
231.17543	2.5
236.10506	45.3
237.10852	3.9
246.49268	0.8
247.12604	0.8
275.16498	5.2
293.17596	10.6
294.17990	1.4
305.07776	0.8
305.12323	4.3
306.13077	3.9
321.07892	1.9
360.14432	6.4
378.15344	51.8
379.15887	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	378.1893
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58099	0.2
52.58970	0.2
54.06338	0.2
59.01244	0.7
61.98700	100.0
62.98370	0.3
67.23832	0.2
69.95257	1.1
73.44878	0.2
82.55020	0.2
93.03346	0.2
96.95842	0.2
98.19894	0.3
169.54651	0.2
293.21463	0.2
341.09769	0.8
351.33615	0.3
378.18896	3.1
379.19492	0.5
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
59.00961	1.2
59.01246	19.0
60.02312	0.6
61.98675	0.9
63.09893	0.8
69.24582	2.9
69.25011	4.8
71.01226	0.8
78.22073	0.8
89.02322	0.7
89.72896	0.7
95.04884	2.5
96.95886	0.8
105.23351	0.7
113.09563	1.0
113.61254	0.8
171.10173	24.5
172.10477	1.0
195.13817	5.2
209.07956	0.9
249.22086	1.2
277.21686	33.0
278.11395	2.7
278.22095	3.8
295.22751	100.0
296.23016	9.1
298.68213	0.7
299.19931	1.0
311.71481	0.9
317.20935	37.5
318.21310	2.8
341.10873	1.3
361.19962	5.9
377.22852	19.2
378.23602	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	377.2306
Annotation	Unknow
Peak:m/z	Relative Intensity
57.35566	1.1
59.01249	30.7
61.99543	1.1
62.56390	1.2
64.51910	1.2
67.30983	1.0
71.01231	1.2
74.30128	1.0
171.10164	31.7
171.27629	1.3
172.10542	1.7
183.10286	1.9
195.13887	1.8
277.21707	37.3
278.22003	4.4
295.22775	100.0
296.23190	10.0
377.23047	30.5
378.23325	3.9
400.98941	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	377.2309
Annotation	Unknow
Peak:m/z	Relative Intensity
56.39741	1.6
59.01250	31.2
69.57460	8.4
69.57884	3.0
77.46247	1.4
98.20586	1.3
102.13418	1.4
113.09574	2.4
163.67599	1.4
183.13808	5.2
195.13855	17.5
206.60864	1.6
277.21701	13.7
295.22787	100.0
296.23138	9.0
341.10910	2.7
377.23062	23.9
378.23322	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	377.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38659	0.8
52.96053	0.7
53.05244	0.7
54.03731	0.9
55.01757	1.1
55.91380	0.7
56.30193	0.7
56.80928	0.9
57.03312	2.3
58.00465	2.3
59.01246	46.5
69.20502	2.2
69.20918	6.4
71.00854	1.4
71.01250	26.7
72.01578	0.9
72.99179	7.3
73.02829	2.1
83.01240	2.6
83.92634	0.8
85.02819	7.1
87.00732	1.2
89.02309	20.6
95.01224	1.3
98.19719	1.2
99.08038	1.1
101.02311	17.3
113.02323	6.7
114.52875	1.0
119.03371	8.5
119.04899	1.5
135.11635	1.0
143.03407	1.0
145.60306	0.8
151.11157	1.1
153.12747	35.9
154.13066	3.1
161.04486	1.0
163.03917	0.9
197.11754	9.3
198.12053	1.3
199.13338	3.5
215.12703	1.7
292.68057	0.8
322.49670	0.9
324.27780	1.1
377.18115	100.0
378.18454	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	377.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23332	0.6
57.03308	3.2
58.00444	1.2
59.00962	1.5
59.01246	24.5
66.94584	0.7
68.69181	0.7
70.83801	1.6
71.01254	20.3
71.04872	1.4
72.99180	1.8
73.02818	5.3
74.00471	0.7
76.48529	0.7
83.01242	2.4
83.04913	0.8
85.02818	12.3
87.00750	2.7
87.04379	3.2
89.02296	7.5
94.21384	0.6
95.01228	1.7
99.00736	1.7
101.01705	1.1
101.02315	12.0
101.05946	2.9
111.00732	1.0
111.08064	1.9
113.02309	4.7
117.07394	0.7
119.03368	2.7
129.01784	0.8
135.11661	2.4
138.05511	1.1
142.54477	0.7
161.04388	1.0
169.12221	3.1
171.10213	0.9
182.80009	0.7
185.75046	0.7
197.11720	6.0
215.12833	14.3
272.34750	0.7
317.19666	0.7
335.20718	0.8
359.17078	1.5
377.18073	100.0
377.21622	5.5
378.18393	11.2
378.22650	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	376.3067
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86747	0.8
54.18362	0.9
59.01250	100.0
60.01575	0.9
69.42223	0.9
70.39140	1.8
70.39517	3.1
78.95780	2.1
90.39520	0.8
109.61133	0.9
155.88931	0.9
212.75365	0.9
218.74411	1.2
241.34981	0.9
253.21765	1.1
254.62823	1.0
316.28702	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	377.0853
Annotation	Unknow
Peak:m/z	Relative Intensity
58.39854	3.3
59.01244	6.8
64.51554	3.2
71.01250	8.4
71.17994	5.7
72.94723	3.9
89.02306	19.8
94.36923	2.9
101.02312	7.4
113.02341	6.9
119.03368	8.0
141.15401	3.3
161.04402	5.8
161.18060	3.4
179.05525	17.7
215.03296	22.6
251.48634	3.1
284.59915	2.9
341.06815	6.3
341.10837	100.0
342.11130	7.2
377.08575	57.3
378.09082	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	377.1604
Annotation	Gibberellin A99
Peak:m/z	Relative Intensity
55.01788	0.4
57.03339	0.5
59.01296	1.6
61.98748	0.5
71.04932	0.9
71.51744	0.5
81.96677	0.5
83.04894	2.9
89.02366	0.4
98.62617	0.4
105.06985	5.4
105.94764	0.4
106.34238	0.4
107.04965	2.0
109.06481	10.4
111.08041	19.3
112.08385	0.8
135.08098	0.5
137.09628	0.6
147.08047	2.4
149.09694	1.4
159.08084	7.1
161.09653	0.6
175.11197	7.7
175.12558	0.6
177.12833	0.6
182.33205	0.4
183.11792	1.3
190.45413	0.5
201.12834	1.2
229.15897	0.5
230.13037	3.5
253.16031	1.7
271.17023	34.8
272.17343	3.8
289.18155	1.5
315.16006	7.8
316.16443	1.0
333.17120	1.1
341.10867	1.0
341.20483	0.4
359.14990	100.0
360.15326	10.9
377.08780	0.9
377.16037	15.7
378.16473	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82746	0.3
55.01774	1.3
57.03317	2.7
58.00451	1.0
59.01251	18.8
69.03312	0.4
69.72051	1.7
71.01254	16.0
71.04889	0.8
72.99174	1.4
73.02813	3.5
83.01243	2.1
85.02820	7.0
85.06449	0.4
87.00765	1.3
87.04391	4.6
89.02312	6.3
95.01261	1.4
97.02798	0.4
98.19910	0.6
98.46239	0.3
99.00744	1.0
99.04384	0.6
101.02322	9.9
101.05958	2.2
102.02653	0.3
111.00753	0.4
111.08022	1.0
111.82695	0.3
113.02328	4.3
113.05956	0.3
115.07544	0.3
119.03380	2.0
135.11694	2.8
143.03369	0.4
151.11101	0.7
153.09128	0.3
153.11633	0.3
153.12796	0.4
156.89453	0.3
161.04442	0.4
169.12256	2.6
176.03506	0.4
183.68692	0.3
197.11749	3.8
197.76733	0.3
202.36748	0.3
215.12830	10.5
216.13210	0.7
327.05371	0.3
359.16965	1.0
377.18121	100.0
378.18457	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	376.1737
Annotation	Unknow
Peak:m/z	Relative Intensity
56.26906	0.3
59.01239	0.9
61.98697	100.0
62.45258	0.3
62.96736	0.3
62.98406	0.3
69.18883	2.0
69.19293	0.6
73.81144	0.2
78.49979	0.2
87.60258	0.2
96.95889	0.4
98.19771	0.6
145.22203	0.2
165.12798	0.3
291.19608	0.5
376.17380	4.6
376.21667	0.4
377.19342	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.2855
Annotation	Madangolide
Peak:m/z	Relative Intensity
52.41360	0.5
58.42449	0.4
71.06461	1.0
81.87878	0.4
88.89574	0.4
114.09127	2.8
116.07053	100.0
117.07391	2.8
332.29367	0.9
364.56268	0.5
376.28525	58.5
377.08835	0.5
377.28809	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	375.2173
Annotation	Unknow
Peak:m/z	Relative Intensity
54.77104	0.3
55.01756	0.9
57.03318	3.6
59.01249	0.4
60.21022	0.3
69.03318	0.5
70.38081	1.3
71.01247	0.6
71.04882	1.4
79.01761	0.4
79.99835	0.3
81.03320	1.2
83.04887	0.8
91.33092	0.4
93.06961	0.4
95.04897	0.8
97.02807	0.7
97.06481	0.9
99.08028	1.2
107.04874	0.8
109.06500	0.7
121.06449	1.0
123.04415	0.5
123.08041	0.8
125.05972	4.8
125.09613	0.8
131.85316	0.4
135.08052	1.3
136.64479	0.3
137.09612	23.0
138.09933	0.9
143.71735	0.3
151.03906	0.6
155.10652	1.7
161.09589	0.9
163.11189	7.6
164.08313	0.7
179.10707	2.6
180.04247	0.6
181.08664	0.7
181.12241	2.1
188.11937	0.4
189.05518	0.4
191.10699	0.5
193.12204	1.7
205.15887	0.4
209.11868	0.3
223.09644	0.5
235.09698	1.5
236.10361	0.5
243.17453	1.6
249.15112	0.4
261.18506	0.6
291.15955	3.0
295.59830	0.4
313.21762	2.6
328.90079	0.3
331.22784	2.1
357.20676	1.0
375.21732	100.0
376.22073	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	375.2148
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00955	2.9
59.01246	43.5
61.98693	2.6
62.57990	1.8
70.70222	3.1
70.70599	2.7
79.13159	1.3
95.04892	3.2
121.09302	1.1
121.10117	30.6
150.56012	1.6
171.10173	64.2
172.10495	2.8
177.16345	2.1
185.11591	1.9
193.08301	1.8
193.71632	1.6
196.80887	1.5
207.09825	2.7
231.21130	5.5
267.82303	1.6
275.20139	100.0
276.20471	9.1
278.11377	10.9
293.21194	81.7
294.21521	6.7
297.18326	2.6
308.50323	1.5
315.19376	40.6
316.19653	4.4
329.17105	1.8
359.18359	6.1
375.21268	28.5
376.21173	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	375.2152
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	1.2
59.01245	17.2
71.51953	1.4
82.17890	1.0
97.06451	1.3
101.24628	0.9
125.09595	3.7
141.12753	1.5
149.09602	1.7
185.11743	11.7
191.06903	1.0
197.11713	2.5
220.34515	1.1
248.17656	1.0
293.21222	100.0
294.21588	9.3
315.19397	29.3
315.23041	0.7
316.19754	3.9
375.21542	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	375.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
57.43941	0.5
58.60710	0.5
59.01248	100.0
60.01569	1.2
61.98692	1.2
65.52288	0.5
70.08234	2.3
71.01252	2.8
73.02795	0.8
85.02808	1.0
96.76768	0.5
98.19776	0.6
101.02291	1.2
102.98923	0.5
113.02346	1.3
115.68654	0.5
161.04440	2.6
174.99260	0.7
217.00345	2.4
315.18417	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63306	1.1
58.00455	2.1
59.01251	46.6
71.01253	26.1
71.52692	2.0
72.99171	1.5
73.02810	2.5
73.19468	1.2
83.01263	2.8
85.02820	6.1
89.02319	21.5
95.01295	1.4
99.00684	1.3
101.02318	16.9
113.02318	8.1
119.03368	7.2
178.98201	1.2
195.13803	8.6
213.14900	3.7
217.00278	1.5
238.54703	1.1
253.71594	1.4
345.13425	1.1
375.20224	100.0
376.20663	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	375.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64901	1.3
57.03321	2.7
59.01254	48.9
60.01578	4.3
61.01674	3.5
65.01331	1.4
71.01259	8.8
71.04887	2.7
73.02814	5.4
82.41533	1.4
83.04882	4.0
85.02820	13.9
87.00764	2.1
91.71508	1.4
91.84116	1.3
97.06467	2.1
103.22150	1.3
107.08536	1.9
109.06456	3.4
111.07989	1.5
113.02326	1.6
115.03901	23.6
118.05669	2.2
118.06516	43.3
124.07539	2.5
126.05486	4.9
133.02850	3.8
135.04401	13.3
139.07564	20.2
153.01863	3.4
155.10683	2.0
157.08611	29.7
160.07642	2.7
165.05495	1.4
168.06581	4.6
169.08649	2.9
177.01871	3.0
178.02661	2.2
179.03421	8.3
191.01894	3.6
210.82858	1.8
243.14940	2.7
287.14066	8.0
295.18985	1.6
297.17096	3.5
313.20145	3.4
315.18127	20.9
327.12613	1.3
333.19196	6.7
344.19449	1.4
357.19061	11.1
375.20236	100.0
376.20593	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	375.1848
Annotation	Unknow
Peak:m/z	Relative Intensity
58.92663	1.2
69.26604	1.4
71.43452	1.5
74.98957	2.6
83.74960	1.7
89.27064	1.2
92.99995	1.8
108.58342	1.2
108.67108	1.4
159.08400	9.9
161.06299	1.7
190.70905	1.5
217.03363	1.2
217.06989	2.0
249.47189	1.4
258.83963	1.4
273.14276	1.4
286.63919	1.5
291.09088	84.4
292.09296	12.8
309.10239	1.8
354.30283	1.5
359.15326	100.0
360.15421	18.8
375.18311	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1787
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	5.9
71.01255	11.6
71.01613	0.8
71.52328	0.7
72.83063	0.6
80.91610	0.6
105.37909	0.6
127.07579	1.5
151.07600	1.1
164.08347	1.5
177.09105	4.0
190.09933	2.0
192.11479	7.7
193.12041	0.7
205.12270	3.5
207.13815	1.9
217.00336	1.0
218.09447	2.5
220.14632	40.3
221.15405	100.0
222.15782	8.3
235.13345	1.8
236.10498	97.1
237.10895	7.7
258.08667	0.9
292.11487	0.9
293.17596	40.9
294.17926	5.0
318.09561	4.7
319.09976	0.8
321.15594	1.5
373.78366	0.7
375.17853	7.8
376.17892	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	375.1846
Annotation	Unknow
Peak:m/z	Relative Intensity
71.22585	1.1
71.22910	1.0
74.98951	2.0
90.58537	0.6
93.00013	1.3
96.43201	0.8
137.06888	0.6
149.00862	0.9
159.08397	9.7
161.06273	2.3
170.38091	0.7
192.98164	0.7
209.01199	2.1
217.07146	1.1
257.72269	0.7
258.55191	0.7
277.07474	1.4
289.07480	1.8
291.09091	95.8
292.09177	12.1
309.10138	1.5
357.13556	1.3
359.15332	100.0
360.15469	17.5
375.18439	8.3
376.18652	1.8
377.16327	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	375.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69579	0.7
55.01764	3.4
57.03325	13.2
58.00455	1.1
59.00961	1.4
59.01251	25.8
68.99678	0.9
69.44498	3.9
69.44909	1.9
71.01252	21.5
72.99176	2.8
73.02815	5.6
75.00740	2.5
83.01262	6.9
84.02039	2.9
85.02824	100.0
86.00007	1.2
86.03148	2.7
87.00735	2.8
89.02307	6.6
95.01286	1.5
97.02814	0.8
98.19910	1.6
99.00768	3.1
101.02322	16.4
111.00748	5.9
113.02323	7.6
119.03402	4.0
123.04393	1.0
125.02330	0.9
129.01834	8.4
136.13161	0.7
143.03340	0.8
147.02885	11.7
150.03136	1.0
161.04482	1.6
169.12263	0.9
173.00853	2.1
176.04668	1.5
177.09081	1.2
179.05527	1.5
183.10271	1.0
191.01891	33.1
191.07079	2.4
192.02315	0.8
209.02985	1.8
222.06747	0.7
255.08939	2.9
287.10437	1.3
333.19171	0.9
357.15512	4.8
360.36646	0.9
375.16620	53.2
376.16864	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	375.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03473	1.4
56.28386	1.5
58.34749	1.5
59.01248	100.0
61.98698	92.3
64.93293	1.5
69.76505	9.6
71.01226	5.0
85.02805	1.7
87.00747	3.8
88.54292	1.6
101.02290	2.3
161.04448	6.3
169.10110	2.8
173.45943	1.7
179.05605	9.2
217.00204	4.8
226.69290	1.7
244.01906	1.7
253.87816	1.6
284.40710	1.6
364.24829	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1658
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	2.2
58.00456	4.9
59.01246	27.4
63.96103	3.2
64.14380	1.8
70.34197	6.5
71.01249	14.6
72.99174	5.7
73.02822	3.5
75.00745	2.3
78.39203	1.7
80.30685	1.6
83.01255	3.2
83.04889	3.8
85.02814	8.8
87.00757	4.7
89.02300	5.8
95.54444	1.7
97.06503	1.8
97.99984	2.8
101.02319	12.6
105.01816	25.5
125.09561	1.8
135.98273	10.6
149.28958	2.0
164.06941	2.4
165.12714	2.0
167.14346	5.9
169.12224	3.7
171.10147	2.9
173.07965	1.8
179.05571	2.0
183.13841	7.2
185.38675	1.4
195.13835	4.4
197.15508	7.9
211.13338	29.9
212.13591	1.7
213.11554	1.9
213.14923	31.1
223.13499	1.7
225.14891	6.9
229.14348	12.5
235.13338	2.6
241.14400	14.9
243.15971	82.4
244.16252	4.9
250.08307	2.2
253.14473	4.0
255.12349	74.6
256.12595	5.4
257.13947	7.5
269.14001	3.8
271.15527	24.0
273.13516	3.5
277.14648	3.9
283.15314	2.4
285.13318	2.1
287.14990	24.9
295.15497	6.7
313.16537	2.1
315.14621	2.1
349.92038	1.7
357.26425	5.1
373.25906	3.5
375.16537	5.8
375.19968	4.9
375.27487	100.0
376.18967	3.6
376.27881	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	375.1658
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01747	3.6
57.03323	15.6
59.01244	4.4
61.98684	1.2
62.29738	1.0
65.95681	1.2
67.01761	1.0
71.01252	6.7
72.99155	1.7
73.02816	2.8
73.89624	0.9
75.00747	1.4
75.65734	0.9
76.78617	0.9
79.95616	3.1
80.96382	2.6
83.01260	10.4
84.02030	2.0
85.02821	100.0
86.03172	1.7
89.45374	0.9
99.00738	1.6
101.02308	4.9
103.48350	0.9
110.99989	1.5
111.00761	30.7
129.01828	46.3
129.24962	0.9
139.08537	1.0
147.02971	1.0
161.04448	3.2
169.12213	6.8
187.02347	1.4
187.09579	1.2
192.27017	1.0
205.03458	28.0
217.00224	1.2
223.04527	3.3
237.14986	1.2
247.13339	1.2
250.88962	0.9
297.84308	0.9
307.91678	1.1
330.12332	1.1
331.19180	1.5
333.20322	1.0
375.17352	3.1
375.21915	1.4
375.26312	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1447
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	12.9
69.19633	2.9
69.20031	15.3
71.01265	2.3
72.99215	2.1
78.88550	1.8
85.02807	11.8
87.74940	1.6
93.03329	3.2
108.02057	3.0
109.02828	33.9
121.02839	8.2
122.03620	12.1
123.00824	2.2
123.04402	5.5
135.04419	3.1
136.01559	15.6
145.02890	2.5
146.03636	9.4
147.04440	3.6
149.02341	22.2
150.03130	71.5
151.03937	20.4
159.04469	2.6
161.05986	7.0
164.04709	9.6
164.05957	1.8
165.05479	93.0
166.05876	4.0
172.05214	2.8
175.03908	8.0
176.04684	9.5
179.07060	11.6
180.04176	5.6
181.04939	3.0
189.05472	6.4
190.06310	5.2
191.01891	3.6
191.07077	13.6
195.04825	2.6
195.06557	44.6
196.06833	3.2
211.07680	1.7
223.07564	1.6
239.07018	7.8
249.05391	2.2
250.06265	4.3
262.06281	1.9
267.06622	44.8
268.06927	5.0
279.06528	6.7
282.08966	35.9
283.09418	3.7
297.11298	100.0
298.11642	12.3
312.10071	7.9
315.12396	1.9
315.18060	3.5
327.12338	56.6
328.12653	6.0
333.19235	9.4
335.72034	1.8
345.13629	8.3
375.14636	2.1
375.20276	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	375.1658
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01743	3.5
57.03322	18.7
59.01244	30.3
61.98705	10.8
68.42351	2.5
69.73942	13.3
70.05962	2.2
71.01253	8.8
78.06246	2.1
79.95602	13.6
83.01264	8.2
84.02066	2.9
85.02818	100.0
86.03152	3.2
86.47045	2.5
98.20520	2.5
101.02318	5.2
111.00752	30.0
115.46085	2.7
129.01831	38.9
149.04355	2.6
169.12213	7.0
174.99153	6.6
187.02322	3.1
191.07315	2.7
205.03477	20.9
217.00250	17.7
223.04399	2.7
289.03555	2.5
307.04025	2.5
312.07742	4.3
342.37292	2.4
375.18561	5.0
383.36279	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	375.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
54.70193	0.7
59.01241	4.0
71.01258	1.0
71.50674	0.9
71.51056	0.9
91.52372	0.9
99.41830	0.9
108.02055	19.1
109.02882	0.9
118.84994	0.8
121.02843	4.9
121.75885	0.8
122.03672	1.8
123.04420	15.8
127.74989	1.0
134.03618	3.5
135.04425	3.5
135.75395	0.8
136.01540	1.6
137.05948	1.0
147.04414	1.9
151.03905	2.3
174.03075	3.0
175.03885	6.9
176.04706	65.9
177.05081	4.5
179.03357	2.0
179.07065	4.6
191.07065	100.0
192.07387	6.1
194.05688	1.2
205.08606	0.9
209.08148	13.0
210.08556	0.9
268.65558	0.8
315.12378	1.2
345.13428	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	375.1448
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87874	2.0
59.01261	3.5
66.55336	2.1
69.68730	2.5
70.51698	7.9
85.02814	2.1
93.03335	4.1
109.02847	4.5
118.54575	2.1
121.02823	5.6
122.03639	12.7
123.00703	2.9
123.04404	2.9
135.04420	3.1
136.01552	6.8
146.03651	10.9
149.02333	32.6
150.03133	92.2
151.03801	6.6
164.04721	10.6
165.05484	100.0
166.05788	6.4
175.03859	3.7
175.22487	2.4
176.04666	2.4
179.07048	16.4
180.04225	7.4
189.05609	3.8
195.06567	47.1
196.06818	2.7
267.06540	4.1
279.06531	3.1
283.22940	2.3
312.09998	8.4
327.12326	33.6
328.12393	3.3
345.13412	4.2
375.14243	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	375.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01236	2.9
62.73063	1.1
69.17628	11.8
93.03332	3.4
113.02321	1.1
121.02853	14.4
122.03613	7.5
123.04418	6.5
133.02866	1.4
146.03630	7.5
147.04369	3.3
149.02339	100.0
150.03127	60.3
151.03920	13.5
161.05981	2.2
161.93530	1.1
164.03311	1.2
164.04698	25.1
165.05476	71.6
166.05827	4.0
170.04839	1.2
178.02663	1.8
179.07079	11.4
180.04179	5.0
181.04945	5.0
193.30081	1.0
195.04822	2.0
195.06549	26.8
196.06929	2.4
205.99963	1.0
269.07953	1.6
280.07373	1.2
281.08200	2.4
283.09702	5.2
297.07657	1.7
312.09991	27.4
313.10437	2.0
325.51059	1.2
327.12360	84.9
328.12680	9.4
381.21088	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	375.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04140	2.1
57.03316	3.8
58.58590	2.1
59.01265	11.8
70.14681	2.3
70.71371	5.5
73.02806	2.5
84.26434	1.8
85.02822	23.8
93.03290	2.5
106.03562	2.1
108.02065	5.3
109.02144	3.5
109.02837	36.5
110.03218	2.0
111.00802	2.8
121.02818	8.0
122.03596	7.6
123.04395	7.4
125.84439	2.1
127.48296	2.3
136.01556	14.7
145.02840	3.1
146.03618	7.5
147.02896	4.2
149.02316	14.2
150.03113	42.6
151.03903	33.4
152.04218	2.5
161.05954	4.1
164.04672	8.1
165.05470	49.5
166.05843	2.6
172.05190	3.6
174.03046	2.5
175.03876	11.3
175.07518	2.3
176.04720	19.2
179.06999	6.5
189.05475	8.5
190.06224	5.2
191.01921	6.6
191.07051	28.4
195.06549	18.2
209.08061	3.6
239.07176	8.8
250.06320	3.2
251.07112	2.9
261.05273	2.5
267.06595	56.1
268.06985	4.4
270.08231	2.3
279.06512	7.6
282.08963	57.3
283.09259	6.8
294.08868	5.0
297.07974	4.8
297.11264	100.0
298.11484	12.8
312.09967	12.9
315.18021	4.1
327.12323	53.4
328.12515	6.3
333.19199	11.8
345.13452	12.7
375.15213	2.3
375.20264	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	375.1295
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01749	2.5
57.03321	12.3
58.00473	1.2
59.00960	1.1
59.01250	19.9
60.37440	0.6
68.99684	0.6
69.61974	1.7
69.62383	1.9
71.01246	12.9
72.99164	2.3
73.02807	2.0
75.00744	2.5
77.27402	0.5
83.01256	3.1
84.02037	2.5
85.02821	100.0
86.03162	2.2
87.00753	1.6
89.02317	8.3
95.01283	0.8
97.58499	0.5
98.20557	0.6
99.00742	0.7
101.02312	6.2
103.00255	1.2
111.00753	5.1
113.02328	4.2
115.00228	1.3
119.03384	4.3
123.83421	0.6
125.09610	0.8
129.01817	11.0
145.43149	0.5
147.02879	11.5
161.04466	1.6
169.20618	0.6
173.00854	2.2
179.05519	0.7
183.10207	1.1
191.01901	33.3
192.02271	1.8
195.10179	0.7
209.02940	2.7
209.11832	0.6
217.10771	0.7
299.10333	1.7
310.31277	0.6
327.12808	0.7
333.19467	0.8
343.09039	0.6
357.15625	1.3
375.12762	2.1
375.16553	10.0
375.20377	1.7
376.16989	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.291
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	100.0
60.01592	0.9
70.81573	2.0
79.08296	0.5
96.29401	0.6
134.15433	0.5
171.94823	0.6
179.52539	0.7
201.70448	0.6
217.00238	0.9
223.20665	1.1
232.10910	4.3
253.21709	1.3
282.24451	1.0
290.18817	1.1
314.26926	2.1
342.20032	1.5
374.24478	35.3
375.24747	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1084
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	3.2
70.12887	1.6
71.01251	1.1
77.03865	0.6
85.02829	4.8
95.04916	1.0
101.02337	1.2
105.03342	4.3
111.00748	0.5
118.06535	0.8
121.02812	0.7
122.03609	0.5
129.01897	0.8
133.02849	33.7
134.03648	12.3
135.04410	100.0
136.04753	3.6
137.02336	6.2
139.03914	2.1
146.03619	1.1
147.02951	0.6
149.02338	0.9
149.05974	1.6
150.03131	2.4
151.11185	3.2
159.04410	0.9
161.05998	1.4
163.06410	0.5
165.05498	2.0
170.04689	0.6
177.01846	30.3
178.02629	18.8
179.03412	92.3
179.06929	2.2
180.03735	4.8
182.83279	0.5
191.01907	0.9
193.04945	0.8
195.06537	1.1
205.04945	0.6
233.04520	5.8
234.04765	0.7
283.09763	0.5
327.08734	4.2
339.08661	3.4
357.09830	0.6
375.16501	2.3
375.20560	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1296
Annotation	Tuliposide D
Peak:m/z	Relative Intensity
53.17468	0.5
54.96031	0.5
55.01756	4.1
57.03049	1.0
57.03321	13.2
58.00457	0.7
59.00957	1.1
59.01248	20.0
59.96712	0.6
69.41512	0.5
71.01246	17.8
71.36673	0.8
71.37059	0.6
72.99171	3.0
73.02819	5.9
75.00730	1.6
83.01253	7.5
84.02054	2.8
85.02817	100.0
85.99960	1.0
86.03163	2.1
86.07868	0.7
87.00764	2.0
89.02324	3.1
95.01277	1.1
99.00768	3.2
101.02314	14.6
103.00265	1.4
107.49532	0.7
111.00770	5.1
113.02334	5.1
129.01822	9.8
141.01920	0.8
147.02879	11.3
161.04462	2.0
173.00883	1.3
181.60890	0.6
183.10156	0.9
191.01883	32.3
192.02287	1.0
209.03015	1.9
267.11292	0.6
287.10376	0.7
316.86459	0.6
357.11853	0.7
375.06610	1.8
375.16577	55.7
376.17023	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	374.218
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	100.0
61.98693	37.3
69.59368	44.4
69.59796	43.4
89.08608	12.1
98.19850	12.7
150.26897	12.7
191.28278	12.4
201.96063	13.7
217.00238	45.6
296.39133	13.5
361.38486	14.6
374.24445	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	374.2909
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15233	0.9
57.59087	0.9
59.01251	100.0
65.31245	1.0
70.56356	1.8
88.45119	1.1
150.35422	1.0
184.74355	1.2
212.27287	1.1
217.00220	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	373.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39897	0.3
55.01758	5.7
57.03320	4.8
58.00463	2.0
59.01248	41.1
60.01600	0.3
67.01758	0.3
68.99685	0.3
69.03320	1.9
69.82647	1.3
71.01250	100.0
72.01587	1.3
72.99180	3.4
73.02817	30.3
74.03165	0.4
75.00738	1.9
81.03335	0.6
83.01255	12.5
84.01603	0.3
84.02042	0.6
85.02821	45.2
85.99955	0.8
86.03148	1.0
87.00746	3.8
89.02316	15.9
90.41438	0.3
95.01260	7.0
97.02824	2.2
99.00756	13.0
100.01089	0.3
101.02319	65.4
102.02635	1.2
105.01842	0.4
107.01170	0.3
111.00751	1.1
113.02328	43.4
114.02662	1.3
119.03381	5.3
122.06005	0.4
123.08093	0.4
125.02350	2.1
129.01820	2.0
131.03384	0.8
132.04431	1.2
139.11198	0.9
143.03384	3.9
149.04431	0.5
152.07040	1.4
159.01665	0.6
159.02905	8.5
159.04231	0.5
160.03149	0.5
161.04466	33.3
162.04826	1.3
163.08801	0.3
179.05495	0.6
205.03513	1.4
209.15611	0.3
211.13464	0.4
211.16985	8.4
220.31862	0.3
231.95386	0.2
267.63620	0.3
282.17014	0.3
297.12344	0.9
301.70178	0.3
341.11459	1.5
373.14322	0.6
373.18225	0.5
373.22263	5.9
374.22537	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.223
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	6.2
57.03322	6.6
58.00464	2.7
59.01248	43.0
60.01597	0.6
63.96106	1.1
65.77808	0.6
69.03324	1.9
71.01250	100.0
71.50075	0.7
71.50489	1.5
72.01584	1.6
72.08269	0.6
72.77187	0.5
72.99179	5.0
73.02816	28.8
75.00739	2.2
83.01258	13.3
84.02068	0.8
85.02819	42.9
85.99979	1.1
87.00748	3.9
87.04387	0.7
89.02312	17.2
95.01260	7.9
97.02814	1.9
97.06451	0.8
99.00756	12.9
101.02319	66.4
102.02647	2.0
111.00763	0.7
113.02328	41.3
113.80299	0.6
114.02660	1.4
117.97205	1.3
119.03376	4.7
120.73714	0.7
125.02328	1.6
129.01817	2.0
135.98294	4.3
139.11182	1.1
143.03365	3.4
159.02872	8.4
161.04454	35.1
162.04756	1.3
183.13820	5.4
184.36761	0.7
205.03506	2.0
206.24321	0.6
211.13348	6.5
211.16922	7.2
228.25661	0.7
247.93253	0.7
255.12389	1.5
314.16455	0.6
329.12497	1.0
329.15884	5.5
373.22253	6.9
373.26120	3.4
374.22360	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2019
Annotation	Rubaferidin
Peak:m/z	Relative Intensity
55.01754	0.8
57.03335	1.0
59.01241	2.9
68.36433	0.7
68.99689	0.9
71.01230	2.0
71.42012	1.1
77.94246	0.7
101.02306	1.0
109.02835	2.6
109.06483	0.9
109.99989	1.0
111.00763	0.8
120.05668	0.8
121.70305	0.7
123.00794	1.6
124.01526	3.3
125.02335	1.7
125.09624	1.1
135.08081	9.5
136.05219	0.9
137.02342	86.5
138.02744	2.5
139.00365	1.2
147.30276	0.9
151.03909	3.6
153.09120	0.9
165.01831	4.1
166.02617	2.5
179.03423	5.9
191.07104	0.9
193.12271	1.0
197.51097	0.9
249.11404	3.0
251.12877	1.5
276.13635	9.3
277.13977	0.8
304.13141	11.7
305.13828	1.7
317.17468	1.3
345.20731	8.3
373.20181	100.0
374.20480	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	373.1995
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	17.2
59.53260	0.8
61.98697	1.4
69.92908	4.9
75.38387	0.8
93.03331	2.5
98.19819	1.1
104.92426	0.9
106.48766	1.0
114.92014	1.0
147.58850	0.9
148.08783	1.6
150.10373	1.6
163.11110	1.7
165.12764	21.3
166.13087	1.4
180.81992	1.1
191.14140	1.0
244.10745	3.9
247.20612	10.8
248.21060	1.7
273.18555	4.8
291.19656	100.0
292.19986	11.6
313.17883	12.8
314.18048	1.6
373.19955	12.4
374.20233	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	373.1866
Annotation	Rosiridoside C
Peak:m/z	Relative Intensity
54.45608	0.4
55.01763	0.7
55.80206	0.5
57.03318	0.6
59.01247	100.0
60.01568	0.9
69.03332	0.5
69.82137	0.5
69.85941	2.8
71.01253	9.4
71.01622	0.8
71.78926	0.4
73.02821	3.3
75.00748	0.6
83.01261	1.4
85.02830	3.8
87.00776	0.5
89.02312	4.3
95.01264	1.2
99.00787	0.6
101.02323	4.1
107.01427	0.6
113.02316	3.4
119.03387	1.2
135.98137	0.5
151.03931	0.9
154.02632	0.7
161.04449	2.7
228.16202	0.5
331.17502	3.3
373.12808	1.0
373.18762	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1506
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03329	3.9
58.00451	0.7
59.00959	1.0
59.01253	19.6
63.96103	0.9
64.29623	0.5
65.64080	0.6
69.03336	0.8
69.53858	4.2
71.01252	12.6
71.04904	1.0
72.99183	2.0
73.02817	2.0
75.00755	1.0
83.01248	2.1
84.02072	0.9
85.02822	5.1
85.06451	0.7
87.00745	12.6
87.04398	0.9
89.02326	4.5
95.01266	0.9
97.02855	0.6
97.06480	1.5
99.00761	2.1
101.02321	3.4
109.02808	1.0
111.00762	2.3
113.02339	2.9
115.00259	36.9
116.00601	1.2
119.03395	1.8
119.92143	0.6
120.01167	0.8
123.08025	1.0
125.09635	1.0
127.00257	0.9
127.16114	0.5
129.01840	1.0
131.03400	1.0
132.04434	1.2
133.02846	1.8
135.98262	3.3
139.00258	3.8
139.11186	1.3
151.11128	0.7
152.07057	1.9
157.01344	7.2
165.94945	0.6
168.46149	0.6
171.10255	1.9
175.02408	57.5
175.03784	2.1
176.02715	1.5
177.01866	0.7
185.11742	4.5
197.11760	1.6
199.13368	0.6
205.03558	0.7
206.60747	0.6
209.11818	0.9
211.13359	1.8
213.14812	0.7
223.13258	0.8
227.12766	4.4
233.11902	0.7
239.12825	1.5
247.13406	1.3
249.11505	0.7
249.14899	0.7
251.12894	0.7
252.19646	0.9
253.14429	0.6
255.12357	3.9
265.14447	0.6
265.18008	0.8
273.13318	2.6
275.13007	1.3
285.04001	4.7
285.20712	6.9
293.13892	5.3
295.22894	0.9
311.05640	9.8
311.14764	0.7
311.22263	0.6
312.06094	1.0
313.03543	4.7
313.12885	4.0
313.23648	3.2
325.23825	6.3
326.24402	1.0
327.14511	0.8
337.12845	1.5
341.11441	1.1
343.24780	0.9
355.14096	1.0
355.25027	1.9
373.18433	2.7
373.25940	100.0
374.15839	0.6
374.26227	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	373.1503
Annotation	Unknow
Peak:m/z	Relative Intensity
54.72364	0.9
55.01751	3.7
57.03322	15.7
59.01250	4.0
61.98709	1.3
71.01263	4.8
71.51709	1.2
72.99180	2.1
73.02817	1.7
75.00748	1.7
83.01264	9.4
84.02044	2.1
85.02824	100.0
86.03151	1.8
101.02322	4.7
109.83898	0.9
111.00764	24.4
112.01015	0.9
116.61475	0.9
121.02868	5.1
129.01825	39.1
130.02199	1.0
161.04482	2.6
167.10681	7.6
169.79510	1.2
187.02405	1.1
205.01662	1.5
205.03476	19.6
209.04466	3.4
219.02715	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1502
Annotation	Unknow
Peak:m/z	Relative Intensity
53.40142	2.1
55.01743	3.3
57.03321	18.2
59.01244	26.3
71.01241	10.2
71.51233	2.2
73.02817	3.0
75.00758	2.5
83.01240	10.8
84.02029	4.2
85.02820	100.0
86.03169	3.0
89.02271	2.4
101.02331	9.5
111.00755	26.9
113.02300	2.4
128.46536	2.0
129.01817	34.1
161.04387	3.0
167.10631	6.0
205.03421	19.4
223.04471	2.9
235.44009	2.1
288.78226	2.3
373.13644	2.3
373.26108	4.7
375.60477	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	373.1503
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	3.7
57.03049	1.1
57.03320	16.0
59.01247	42.9
61.98701	0.8
67.01765	1.6
69.42453	1.5
69.42850	5.3
71.01249	7.5
72.99161	1.0
73.02805	2.2
75.00742	1.9
83.01268	9.9
84.02042	4.1
85.02822	100.0
86.03161	1.8
87.00760	1.0
88.01553	1.0
98.20529	1.3
101.02326	6.0
103.03849	0.8
110.99992	1.6
111.00764	28.3
112.01094	1.7
122.31579	0.8
129.01826	38.2
130.02177	0.9
138.84273	0.7
161.04439	3.5
167.10686	6.0
187.02454	1.7
205.03468	24.6
211.13362	0.8
223.04532	4.1
235.13474	0.9
313.16537	3.4
314.16986	1.0
373.15207	0.9
373.26059	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	373.1403
Annotation	Unknow
Peak:m/z	Relative Intensity
54.57289	0.6
55.70140	0.6
59.01246	2.1
64.16309	0.6
69.38597	0.6
69.38898	5.6
71.01244	0.8
75.43104	0.6
80.04931	1.6
94.06481	1.4
104.04935	6.1
105.05289	0.7
105.63701	0.6
107.03665	3.8
108.04432	7.6
122.06004	30.7
123.06361	1.0
124.07566	1.7
132.04442	65.0
133.04747	3.3
134.06017	2.3
139.02594	1.2
144.04488	0.9
148.03929	6.1
150.05536	2.0
152.07072	77.7
153.07469	3.4
156.87720	0.6
160.03949	1.2
176.03433	8.8
177.03813	0.8
188.03441	1.3
208.06078	3.3
269.12888	4.8
270.13388	0.9
273.12439	7.0
297.09045	1.6
297.12418	29.7
298.12836	3.1
313.11874	4.9
317.98123	0.7
341.11389	100.0
342.11691	11.6
373.14066	14.7
373.26013	5.0
374.14273	1.4
374.26126	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1291
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23873	0.8
51.31747	0.9
51.63374	0.8
52.69076	0.9
59.01247	7.1
67.01749	1.3
68.99689	16.0
70.36414	3.7
71.01269	2.2
78.65391	1.0
80.02547	1.4
81.03310	1.0
93.03298	1.1
94.00450	0.9
95.01290	1.4
97.83316	1.0
98.19857	1.1
108.02055	46.6
109.02898	8.3
117.03337	2.0
121.02845	5.3
122.03644	7.6
123.00775	11.7
123.04406	43.2
124.01530	1.1
124.04734	1.9
132.02097	6.5
133.02861	3.7
134.03625	6.0
135.04404	3.0
135.98256	3.0
136.01543	4.1
137.02316	2.0
138.03120	25.7
146.03636	37.7
147.04439	7.0
148.01582	6.4
149.02324	2.4
149.05887	2.5
150.03131	27.5
151.03850	4.0
153.05447	3.2
159.04428	1.2
160.01527	2.4
161.02374	10.2
161.05988	8.8
162.03142	25.2
162.06326	0.9
163.03949	16.7
164.01112	1.7
164.04698	23.6
165.01912	1.3
165.05397	4.4
167.03432	1.9
175.04018	1.9
177.01744	1.0
177.05493	38.1
178.02637	58.3
178.05862	2.4
179.03447	7.9
179.07066	40.7
180.07378	3.4
181.04985	2.1
185.95242	1.0
188.04692	2.8
193.04997	100.0
194.05341	7.7
203.07112	3.3
204.04189	1.4
219.06604	5.0
231.06647	2.8
249.07625	6.0
254.05814	1.7
255.06532	1.2
269.08240	5.2
270.08893	2.0
280.30811	1.0
298.08417	3.0
310.08505	1.4
313.10757	6.9
318.27563	1.1
325.10852	2.9
328.09399	3.0
343.11841	21.9
344.12076	2.4
355.11691	1.1
358.10394	1.7
373.12897	49.0
373.17752	2.3
373.25818	1.7
374.13342	6.2
384.00577	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	373.129
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	27.9
60.52519	3.0
62.77036	2.7
70.41342	9.8
71.01237	3.6
72.99171	4.4
78.46499	2.6
83.34249	2.6
85.02829	5.6
93.03333	4.8
99.04555	2.5
113.02314	3.7
117.11277	3.4
121.02844	16.9
122.03619	12.8
134.03674	4.9
135.98254	11.6
149.02344	30.8
149.06029	2.7
150.03122	76.6
151.03571	3.6
162.03122	100.0
163.03496	6.8
164.04703	4.7
165.05486	67.8
166.05780	4.5
177.05486	66.4
178.05836	5.1
180.04208	6.0
195.06544	32.4
250.06194	4.1
262.06329	5.9
266.05682	3.5
269.08261	3.4
278.05914	6.0
281.08224	8.1
293.08264	8.7
295.06134	4.2
310.08426	3.9
325.10767	16.8
343.11993	3.7
362.69901	3.5
373.13123	4.4
395.59238	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	372.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
57.68206	23.8
61.98692	67.8
70.02084	49.5
70.02494	100.0
83.49995	26.7
121.90287	28.2
143.31311	30.5
166.25644	25.7
173.32787	29.6
180.78687	27.1
214.03114	31.7
258.28043	29.4
399.20529	30.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	11.8
61.98695	12.8
65.00281	3.4
71.01244	3.6
75.13309	3.0
82.69999	3.6
96.95852	4.3
102.00053	3.5
165.12752	4.5
174.71732	4.0
187.03979	4.6
231.17532	4.0
285.22223	17.0
301.21808	3.9
311.20261	4.1
322.55563	4.3
327.19699	5.3
329.21152	50.2
345.20636	12.1
373.20160	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	373.129
Annotation	Unknow
Peak:m/z	Relative Intensity
56.40222	1.0
59.01244	7.9
59.74773	1.3
62.15068	0.9
67.97057	1.0
70.27040	3.2
71.01259	3.3
73.02824	1.7
76.50497	1.0
85.02825	1.6
85.91039	1.1
87.00771	1.0
93.03392	1.9
101.02312	4.4
108.02036	2.0
109.02825	1.5
117.03333	2.2
119.04923	1.5
121.02851	2.8
122.03651	1.5
123.04409	2.5
133.02869	1.9
134.03641	9.4
135.04395	3.5
137.02335	3.8
145.02881	1.7
146.03625	38.6
147.04324	3.6
149.02348	3.0
149.05984	13.6
150.03088	5.6
151.03912	24.4
159.04416	1.1
161.02333	4.1
161.05977	16.9
162.03131	39.3
163.03931	14.9
164.04698	23.7
165.05322	3.6
175.03909	12.4
177.05492	14.2
178.02655	6.1
178.06075	1.4
179.03433	54.5
179.07043	100.0
180.04187	70.5
180.07417	6.5
181.04559	4.2
193.05005	4.5
194.05766	19.8
195.06541	48.1
196.06841	2.5
207.06490	1.5
209.08235	1.2
284.10562	1.5
325.10709	1.5
329.14023	5.5
340.09451	1.5
343.11819	2.5
355.11816	3.9
373.12976	4.7
373.18478	6.6
373.25839	3.3
374.13123	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	371.259
Annotation	Nabilone
Peak:m/z	Relative Intensity
55.60809	1.0
56.08498	1.1
56.24670	1.1
59.01249	8.9
64.71119	0.9
71.51571	2.2
85.02819	1.2
157.06294	1.0
199.11395	1.1
205.15887	1.4
207.17581	1.2
273.21896	1.4
327.26920	8.1
353.24817	4.3
354.25195	1.2
371.25885	100.0
372.26227	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	372.0853
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01231	100.0
104.14979	56.7
130.27902	67.1
150.13290	52.7
176.62355	53.5
286.98499	59.6
384.77103	53.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1861
Annotation	(-)-7R-Cannabicoumarononic acid A
Peak:m/z	Relative Intensity
50.20326	0.2
57.03325	0.3
57.81273	0.2
59.00967	0.4
59.01246	7.9
61.98693	0.6
65.03812	0.6
71.01236	0.6
71.05676	0.6
79.05405	0.3
80.02538	0.3
81.03315	0.8
83.04880	1.0
85.02800	0.3
86.47836	0.2
91.05408	0.3
93.06954	1.0
95.04874	1.0
97.06446	0.3
105.06979	0.9
106.04119	0.4
107.04873	1.6
107.08548	2.9
109.06456	0.9
117.06975	0.8
119.04869	0.3
119.08528	0.9
120.05666	0.9
121.02809	0.5
121.06460	1.3
121.10088	0.6
123.07983	0.8
127.07518	0.4
132.05727	0.3
133.06511	0.6
133.10112	0.5
135.08061	0.5
137.09593	0.5
139.07527	0.4
139.11172	0.3
141.07059	0.3
143.04955	1.4
143.08540	0.4
144.05664	0.4
145.02870	2.2
145.06439	0.3
145.10144	0.4
146.07220	0.4
147.04414	0.4
147.08054	0.5
148.08858	0.4
149.09561	0.8
153.09059	0.8
156.05681	0.7
157.06506	1.4
158.03624	0.6
158.07227	0.9
159.04407	1.3
159.08017	1.0
160.08777	1.0
161.02415	0.3
161.09615	5.4
162.10156	0.4
163.07533	0.7
163.11188	4.3
164.11469	0.3
165.09111	0.6
165.12709	1.4
167.04912	0.6
167.10680	0.4
169.06508	2.0
170.07166	1.2
171.04419	5.0
171.08060	1.1
172.05093	0.8
172.08797	0.5
173.02373	2.0
173.06004	1.4
173.09616	0.4
174.03090	0.5
174.06703	0.8
174.10452	0.5
175.07562	0.3
175.11150	1.0
176.08237	0.3
177.12712	1.1
183.08064	1.4
183.10214	0.3
184.05229	0.5
184.08781	0.6
185.06001	5.8
185.09483	0.5
186.06758	1.8
186.10394	1.0
187.03954	2.0
187.07581	1.2
187.11159	1.0
188.04727	1.4
188.11925	0.6
189.12776	1.9
191.14307	0.8
195.04356	0.4
197.09685	1.1
198.03008	0.4
198.10381	0.4
199.03961	1.7
199.07597	1.6
199.11201	0.8
200.04608	0.6
200.08334	1.8
200.11905	0.3
201.05429	0.9
201.12759	0.7
202.06213	1.1
202.09958	0.3
203.10570	0.4
203.14265	0.3
205.12350	0.3
207.13741	0.3
209.02933	0.5
211.03917	1.3
211.11191	0.6
212.08150	0.3
213.05521	5.1
213.09106	1.2
213.12788	0.7
214.06082	0.6
214.13457	0.5
215.14279	1.3
216.15060	0.4
219.98070	0.3
223.13307	0.4
225.12778	0.3
227.07059	1.2
227.10594	0.4
227.14305	0.7
228.07866	1.8
228.15048	0.3
229.15932	10.1
230.16252	1.2
231.09985	2.3
233.11580	0.3
241.08746	0.4
241.15913	0.5
242.09483	0.3
242.16800	0.7
253.15871	0.6
254.13205	0.3
255.17476	1.7
255.21364	0.3
258.12534	0.5
265.19571	0.9
267.17517	0.7
281.19003	1.0
283.20670	28.3
284.20963	3.2
295.13434	0.4
297.18488	2.3
298.18924	0.3
299.20145	2.4
300.13681	0.4
300.20636	0.4
302.11517	0.9
307.17047	0.6
309.18588	12.2
310.18869	1.7
313.14481	0.5
315.19702	0.4
325.18073	8.4
326.18433	0.9
327.19635	39.1
328.13193	0.7
328.19995	5.2
335.16415	0.5
342.14639	0.5
343.19095	8.4
344.19400	0.7
353.17542	3.8
371.18604	100.0
372.18933	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	371.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	100.0
60.01592	0.8
66.78574	0.6
70.98721	1.2
71.01245	0.8
91.01764	1.3
111.69843	0.6
135.00812	1.5
145.52147	0.6
167.03416	4.5
191.03488	0.7
249.76659	0.7
265.05286	0.8
311.05621	1.3
340.09293	0.9
341.10083	3.4
371.11295	1.1
394.29913	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29479	2.1
55.22239	2.2
59.01250	100.0
60.85247	2.6
71.01235	2.8
71.51484	2.9
77.46687	2.2
83.45781	2.7
130.76288	2.4
191.03355	2.9
209.11739	11.3
231.97102	2.4
286.93524	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1344
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98191	0.4
59.01247	100.0
60.01576	0.6
69.03337	0.6
70.39214	1.7
71.01268	1.0
85.02827	1.0
91.01768	5.6
99.56642	0.5
107.01266	1.2
123.00778	0.8
125.02354	1.4
134.30037	0.4
134.51018	0.5
135.00777	6.4
151.00298	1.2
153.01926	0.5
166.02646	6.3
167.03398	21.6
168.03758	1.0
225.34273	0.5
229.26833	0.5
233.99117	0.5
254.92188	0.6
298.05060	0.6
343.77637	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	100.0
60.01583	1.2
64.71959	0.1
69.49684	0.2
69.50075	1.0
71.01309	0.2
73.86440	0.2
83.01260	0.2
85.02811	1.1
86.93748	0.1
93.92310	0.2
98.19897	0.3
98.45107	0.1
101.02343	0.2
110.79861	0.2
111.00801	0.4
114.23932	0.1
129.01816	0.3
165.09093	0.2
205.03487	0.4
223.04646	0.6
269.10437	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1343
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	100.0
60.01595	0.9
60.15388	0.5
71.01256	1.5
73.02822	1.1
75.00746	2.2
83.01266	1.1
85.02853	1.3
89.02316	0.7
89.05186	0.5
95.01279	0.7
98.20206	3.4
101.02344	0.9
107.04967	0.7
109.02813	0.7
113.02364	0.7
121.02874	1.0
125.02381	0.9
130.85022	0.6
133.02870	1.0
135.04459	0.6
137.02374	1.2
140.38120	0.5
147.02924	0.6
147.08086	0.9
149.02339	3.6
149.05984	0.6
151.03920	1.0
153.01862	0.7
161.02382	1.1
161.04547	0.5
163.00381	0.9
164.04742	1.1
165.01772	0.7
165.04041	1.6
170.18217	0.6
177.01802	1.5
179.03455	1.0
193.01422	1.6
195.02913	1.0
205.01367	0.8
207.02969	1.2
208.00101	3.4
209.00893	2.4
209.02873	0.9
220.00111	0.6
221.00903	2.1
222.01540	0.7
223.02527	1.6
223.06000	1.2
228.26385	0.5
251.01930	10.9
263.02219	0.6
271.02426	0.6
281.03076	3.2
285.04123	0.9
297.04190	0.9
311.11578	0.6
322.60205	0.5
358.01755	0.6
371.06503	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	371.1344
Annotation	Unknow
Peak:m/z	Relative Intensity
57.05119	1.6
58.00452	4.8
59.01248	100.0
67.55785	1.5
69.44572	12.6
71.01249	68.3
72.01588	2.5
72.99168	6.5
83.01247	2.7
85.02821	61.9
86.30632	1.6
87.00743	2.4
89.02318	85.1
90.02560	1.8
93.03300	1.6
95.01292	4.6
99.00735	1.6
100.98649	1.6
101.01698	3.1
101.02321	31.9
104.30596	1.7
106.95131	1.7
113.02322	21.9
119.03381	33.9
121.02843	3.6
130.72209	1.6
131.03378	3.2
133.02815	2.0
143.03365	3.8
148.07626	2.6
149.04388	2.3
150.03088	6.8
161.04387	4.8
165.05515	3.8
166.14082	1.6
179.05513	7.3
191.07080	27.6
194.02153	3.1
209.02806	2.1
209.04515	5.3
223.09604	2.2
339.27014	1.8
371.13455	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	371.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	3.2
57.03052	1.6
57.03321	21.3
59.01247	20.9
67.01754	1.9
71.01259	12.5
72.99178	1.1
73.02813	5.4
75.00732	2.8
78.95789	1.1
83.01255	7.2
83.50648	0.8
84.02024	2.4
85.02821	100.0
86.03127	2.2
87.00750	1.0
89.02299	2.1
95.01258	1.1
96.95878	3.4
97.06472	2.3
99.00758	1.8
101.02323	8.1
109.02842	1.6
111.00761	25.7
113.02323	2.0
121.10121	2.6
122.05997	1.7
129.01823	38.2
129.02786	1.9
137.09590	2.8
139.11200	3.4
152.07051	1.4
159.02899	1.1
161.04433	4.1
165.09103	5.3
167.10693	1.8
173.96887	0.9
185.11748	6.4
187.02394	2.0
191.01855	1.5
191.14432	1.0
197.11754	1.9
199.13280	1.0
205.03476	16.7
206.04114	0.9
209.02956	3.8
209.11694	1.1
209.15367	4.9
215.12889	1.0
223.04604	4.5
225.14925	2.5
283.19138	3.8
311.22247	1.5
316.96506	1.2
353.23111	1.1
371.13791	2.6
371.24323	54.9
372.24759	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	371.1345
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	100.0
59.96843	1.0
60.01574	2.5
62.57108	1.3
66.59210	1.1
69.70299	1.1
71.29491	2.1
88.25536	1.0
167.03404	1.7
168.76050	1.1
179.33917	1.3
191.03435	1.4
251.61008	1.1
254.05785	1.4
269.08130	2.4
283.06143	1.9
310.08099	1.1
311.05630	2.4
328.44461	1.2
341.10040	5.2
371.11212	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	371.1247
Annotation	Unknow
Peak:m/z	Relative Intensity
56.84994	0.6
57.03307	1.8
58.62501	0.6
59.01245	9.8
67.58274	0.7
69.22665	2.8
69.23093	3.5
69.71952	0.6
71.01242	4.2
73.02838	1.1
83.01241	0.6
85.02813	2.6
87.00741	0.9
89.02313	1.8
90.53559	0.5
94.06501	6.4
97.06470	0.8
99.00753	0.7
100.95369	0.6
101.02308	2.1
106.06546	0.8
107.03640	7.5
113.02323	1.6
119.03548	0.6
120.04438	1.4
122.06004	42.7
123.06348	1.6
124.06748	1.0
124.07529	4.8
130.02861	2.0
134.05998	1.8
135.04381	1.0
138.05515	0.6
139.02640	2.7
140.57825	0.7
150.05504	0.9
152.07074	63.5
153.07405	2.3
160.03926	2.1
161.04521	1.0
162.05510	48.9
163.05806	2.6
174.01784	0.9
185.11674	1.2
186.01897	2.4
206.04523	17.8
207.04895	0.8
209.02971	2.2
218.04526	4.1
219.05153	1.3
225.14879	1.1
269.12909	1.5
270.13675	0.7
299.14032	3.4
313.12094	1.2
327.13452	5.1
343.12936	8.8
371.12451	100.0
371.24390	11.8
372.12738	13.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1137
Annotation	5,6,2',3',4'-Pentamethoxyflavone
Peak:m/z	Relative Intensity
59.01250	34.8
70.08633	4.6
71.01255	1.5
73.02800	1.0
73.51321	1.0
85.02837	3.8
89.42587	1.1
96.95900	8.9
98.19886	1.9
111.00768	1.5
114.99911	1.2
118.06501	2.9
124.01534	3.5
127.21131	1.0
137.02341	2.6
154.50558	1.3
189.05359	1.9
202.98068	1.3
203.07198	1.7
209.06100	1.1
221.06015	1.4
225.05518	1.6
235.45656	1.3
239.07098	2.1
243.06425	1.3
251.07204	1.2
255.06514	3.2
267.06546	2.6
283.06116	20.2
284.06543	2.9
285.07629	2.5
295.06094	2.2
297.07727	1.9
311.05609	17.3
312.06375	7.3
312.09363	1.3
313.07126	4.0
323.05756	1.1
325.07416	1.7
326.07932	24.0
327.08618	9.0
337.07089	3.1
340.05850	9.0
340.09448	2.1
341.06540	9.6
341.10339	5.4
342.06870	1.3
355.08255	26.3
356.08984	83.1
357.09262	8.6
371.11328	100.0
372.11603	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	371.1136
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00954	1.6
59.01245	23.0
68.99674	3.8
69.83260	4.4
72.67359	0.8
85.02818	1.2
95.76255	0.9
98.20798	1.0
108.02037	12.9
109.02828	1.4
121.02791	1.0
122.03603	1.8
123.00751	1.4
123.04398	13.1
132.02040	1.9
134.03639	1.9
138.03023	1.0
148.01559	1.5
150.03110	7.2
161.02252	2.1
162.03134	100.0
163.03458	5.5
164.79390	0.8
177.05487	96.6
178.02643	13.1
178.05791	5.7
179.02872	1.0
184.92314	0.9
187.53999	0.9
193.04993	22.6
194.05222	1.0
195.57124	1.0
201.05507	1.0
212.54181	0.9
217.04977	2.6
234.93794	1.0
240.59148	1.0
247.06026	1.1
263.94226	1.1
371.11328	5.6
371.24316	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	371.1136
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00954	1.6
59.01245	23.0
68.99674	3.8
69.83260	4.4
72.67359	0.8
85.02818	1.2
95.76255	0.9
98.20798	1.0
108.02037	12.9
109.02828	1.4
121.02791	1.0
122.03603	1.8
123.00751	1.4
123.04398	13.1
132.02040	1.9
134.03639	1.9
138.03023	1.0
148.01559	1.5
150.03110	7.2
161.02252	2.1
162.03134	100.0
163.03458	5.5
164.79390	0.8
177.05487	96.6
178.02643	13.1
178.05791	5.7
179.02872	1.0
184.92314	0.9
187.53999	0.9
193.04993	22.6
194.05222	1.0
195.57124	1.0
201.05507	1.0
212.54181	0.9
217.04977	2.6
234.93794	1.0
240.59148	1.0
247.06026	1.1
263.94226	1.1
371.11328	5.6
371.24316	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	371.0617
Annotation	Unknow
Peak:m/z	Relative Intensity
53.60849	0.7
57.03317	6.5
59.01247	6.5
63.42361	0.5
63.86650	0.5
64.75944	0.7
69.15781	6.6
71.01247	6.4
72.99174	1.3
73.02811	0.8
74.98974	0.7
75.00748	1.3
83.01255	1.9
84.02031	1.9
85.02822	63.6
86.03148	1.4
87.00743	2.3
87.01920	0.6
89.02319	4.6
98.45475	0.7
101.02317	0.8
103.00254	1.7
109.01692	0.6
111.00755	2.2
114.01281	0.6
115.00274	0.8
129.01808	5.4
133.01306	4.8
135.04381	2.2
147.02917	4.8
151.02557	3.8
165.04080	1.8
173.00853	1.2
177.97127	0.7
179.03351	1.5
191.01891	23.4
191.03635	1.5
192.02213	0.7
209.02959	100.0
210.03252	4.0
235.05963	0.9
244.39072	0.7
283.06760	3.9
371.09692	2.6
377.28772	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.0616
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74337	0.6
55.01739	0.7
57.03325	7.5
59.01244	7.8
68.99689	1.0
70.84351	1.6
71.01256	9.5
72.99179	2.0
74.98986	1.0
75.00742	2.7
83.01255	1.7
84.02036	1.1
85.02820	68.1
86.03146	1.6
87.00747	2.1
88.88132	0.6
89.02323	3.9
95.47335	0.6
103.00220	1.0
106.32735	0.7
111.00742	2.9
123.01466	0.6
129.01851	5.4
133.01295	5.0
133.39742	0.7
135.04416	2.5
147.02878	4.0
151.02502	1.8
163.28381	0.6
163.33562	0.6
173.00883	1.3
179.03444	1.8
191.00241	1.4
191.01901	22.3
192.02135	0.8
207.06049	0.7
209.02953	100.0
210.03275	3.2
273.27487	0.7
292.93204	0.7
305.60449	0.6
371.09805	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2643
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11961	0.7
54.73453	0.6
58.67897	0.7
59.01241	6.1
69.78542	3.1
69.78956	1.2
71.01243	2.8
73.65465	0.7
85.02788	0.7
89.02315	2.9
91.03885	8.6
98.19840	0.7
113.09590	2.1
137.05809	0.7
151.07516	0.9
165.03925	0.9
170.05742	3.8
171.09993	0.8
179.14200	1.2
195.13815	14.1
196.14145	1.0
222.08601	1.4
233.18991	0.9
251.20174	1.3
251.23854	0.9
277.18051	65.0
277.21625	14.1
278.18399	8.8
278.21667	1.2
295.19107	35.9
295.22729	100.0
296.19424	3.4
296.23062	11.1
311.22269	1.6
333.20395	3.2
369.22748	45.0
370.23199	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2644
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03310	0.9
59.01241	4.9
69.20016	3.0
69.20453	2.1
71.01229	1.0
78.14766	0.5
79.84214	0.5
81.15102	0.6
85.02811	0.7
89.02303	2.7
91.03876	9.7
98.87496	0.5
107.85857	0.5
113.02328	0.6
113.09591	2.0
117.49297	0.5
179.14317	0.7
195.12059	1.0
195.13831	15.9
196.14145	1.0
259.20746	0.6
277.18573	1.0
277.21707	14.2
278.21954	0.9
282.52185	0.6
293.21365	0.8
295.22760	100.0
296.23105	9.8
311.22159	0.9
333.20474	2.7
369.22498	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2194
Annotation	Aspidocarpine
Peak:m/z	Relative Intensity
59.01228	0.4
61.98693	0.4
62.93210	0.3
66.78757	0.4
71.15926	0.6
71.16265	0.4
77.40821	0.3
78.95774	100.0
79.11583	0.3
92.05100	0.3
95.96058	1.3
96.22355	0.3
96.96837	32.6
192.87740	0.3
243.88039	0.3
369.21945	12.5
370.22348	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2279
Annotation	Unknow
Peak:m/z	Relative Intensity
53.22459	1.4
53.72869	1.4
55.23766	1.2
55.36327	1.2
57.03321	2.6
59.01248	76.5
69.03311	1.8
70.23362	5.4
71.01232	3.3
71.04935	1.3
83.04900	2.4
85.02811	6.6
87.53728	1.3
96.95875	4.0
97.02827	19.5
97.06483	2.4
101.02288	1.4
111.00777	1.5
111.08065	2.1
119.08540	2.1
121.53502	1.3
125.09605	2.4
137.09608	7.5
163.11157	1.9
165.04082	4.3
165.12767	4.2
171.10172	23.6
172.10484	1.6
181.12122	1.8
183.13794	2.6
186.28253	1.3
193.12170	1.3
211.13283	14.8
221.11775	3.7
223.04462	1.4
227.12962	1.8
229.14417	4.3
239.12846	3.4
247.20665	1.9
257.35541	1.4
273.18610	2.1
291.19653	47.6
292.19986	4.3
295.22665	3.7
309.20682	100.0
310.21060	12.9
315.60513	1.3
327.21683	11.7
330.48517	1.4
335.16443	2.0
337.03152	1.4
369.18860	2.3
369.22906	27.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1555
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	11.0
57.03328	2.6
59.01252	3.4
59.36832	0.4
61.78804	0.5
67.01752	0.5
68.99678	1.0
69.03331	1.3
71.01254	7.2
71.08447	0.4
72.99182	9.0
73.02815	0.6
78.70236	0.5
83.01257	6.7
83.04932	0.6
84.02036	1.7
85.02821	7.5
85.30740	0.5
87.00750	0.8
95.01257	0.7
95.04906	0.6
97.02833	1.3
97.31655	0.5
99.00758	100.0
100.01095	1.5
101.02292	0.9
106.04089	0.5
109.06483	0.7
111.00758	9.5
113.02358	2.6
119.04922	0.7
121.02898	0.7
122.03650	1.0
127.00272	3.3
128.19029	0.5
129.01810	1.5
129.10286	0.6
133.02870	1.1
135.04414	0.7
136.05222	1.4
137.09621	0.5
137.99458	1.1
139.00275	11.5
140.00607	0.5
153.12729	0.8
157.01344	11.3
165.04070	1.7
165.12781	0.7
175.02490	0.5
183.13838	1.1
193.71085	0.6
197.15434	1.9
199.13359	0.8
205.03406	0.7
209.15527	0.9
211.13324	1.6
219.13922	0.8
223.13362	1.5
225.14917	12.7
226.15317	0.9
230.70052	0.6
233.15527	0.8
235.13423	3.5
235.17035	1.6
237.14873	0.9
241.14354	3.7
245.11665	0.6
249.11214	0.9
249.15045	1.8
251.12801	0.9
251.16440	1.3
253.14262	1.4
253.18071	1.5
259.13416	0.8
260.91718	0.5
261.14941	9.5
263.13034	0.7
263.16534	2.0
264.16833	0.6
267.12463	1.9
269.13956	8.6
277.14639	0.7
279.12799	0.6
279.15991	10.2
280.16306	0.6
281.14108	1.1
281.17532	1.9
285.04117	1.1
287.12885	0.5
289.14398	4.3
295.11893	3.6
295.14935	0.7
297.04074	2.5
297.17099	0.7
305.13953	3.7
307.01419	0.5
307.12085	1.2
307.15457	9.8
323.14951	2.3
324.15103	0.5
325.16562	2.4
339.14487	6.0
341.16025	7.3
351.14484	7.2
369.15466	6.9
369.22827	1.4
370.15839	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1554
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01748	1.5
57.03316	4.8
59.01247	72.6
59.06758	1.0
69.03339	1.7
70.52557	2.0
70.52928	2.3
71.01253	31.1
71.01626	2.1
72.01608	1.0
72.99179	3.2
73.02817	9.1
83.01257	10.0
85.02819	22.6
85.99974	1.9
87.00775	3.4
89.02312	4.2
93.77911	1.1
95.01265	3.0
97.02852	1.5
97.38895	1.2
98.19962	1.4
98.20510	1.5
98.77961	1.0
99.00755	2.3
101.02312	16.8
101.33452	1.1
106.04126	3.5
111.00736	1.4
112.01534	3.0
113.02328	14.6
119.04972	1.5
120.99510	1.5
121.06498	1.5
123.78277	1.1
125.02355	1.4
129.01804	1.7
133.02861	1.4
135.01147	1.3
147.08057	2.0
161.04439	2.5
163.07570	1.4
165.04109	3.5
165.05489	5.8
165.09117	71.3
166.09468	3.2
223.02808	2.7
223.77171	1.1
226.59172	1.0
249.11299	2.0
251.68982	1.1
267.80975	1.2
309.13431	100.0
310.13782	8.3
313.07080	1.3
327.14462	72.5
328.14700	5.6
369.06073	9.5
369.15314	4.0
369.22690	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1342
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	2.5
59.56522	0.6
62.36357	0.5
66.07108	0.6
71.01275	2.2
71.50856	0.7
73.02815	0.7
77.24825	0.6
89.02322	0.7
92.67883	0.6
101.02348	0.6
121.02794	0.5
132.02072	4.0
136.43938	0.5
137.09605	0.9
137.54608	0.5
145.02841	1.3
146.03639	4.3
147.04196	0.6
160.01579	12.6
161.02266	1.7
161.06052	1.5
164.04729	2.4
165.09088	0.6
175.03926	0.6
179.07060	7.3
193.06577	0.9
195.08075	0.7
197.06114	0.6
198.06857	0.7
205.06435	0.7
209.06033	1.3
211.07658	1.5
216.07979	1.1
221.06017	1.6
222.06787	4.3
223.04051	0.7
223.07562	2.2
224.04779	1.0
224.08372	3.1
225.05577	3.5
226.06328	1.5
227.07080	1.0
233.05998	0.8
234.06902	0.9
235.07558	1.1
237.05574	0.9
237.09206	1.3
238.06235	2.8
239.07114	2.5
240.07872	10.6
241.08415	0.9
243.06604	8.2
244.07362	6.6
248.04652	0.6
249.05634	0.6
250.06396	2.5
251.07147	6.5
252.07813	3.2
253.05086	1.0
255.10260	4.9
256.07358	0.8
261.05515	1.3
262.06372	1.6
263.07135	2.5
265.08704	1.8
267.06735	2.8
267.10233	2.6
268.07416	21.3
269.07767	2.2
271.05914	1.0
277.05145	0.9
278.05795	2.2
279.06577	7.3
280.07391	22.2
281.07892	3.7
283.06433	0.7
283.09717	17.5
284.10217	1.5
290.05884	1.0
291.06558	2.7
292.07187	0.8
293.05240	0.7
293.08130	3.7
294.08975	3.2
295.06183	3.5
295.09451	0.9
296.06891	13.9
297.07205	1.2
305.07950	0.6
306.05493	1.1
307.06152	5.7
308.06885	23.3
309.07642	17.8
309.11099	0.6
310.08154	2.4
311.09201	8.0
312.09525	0.8
321.07724	5.0
322.08408	9.2
323.09219	38.1
324.06363	19.6
324.09970	14.3
325.06729	2.8
325.10352	1.3
337.10797	9.2
338.11566	21.1
339.08707	100.0
339.12253	8.7
340.09061	11.7
340.12793	0.9
353.10327	8.2
354.11050	59.8
355.11472	6.5
369.13409	55.1
369.23306	0.8
370.13782	6.9
383.69952	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.134
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	3.8
64.21499	1.1
71.47532	2.0
72.13094	1.2
75.19742	1.2
77.02628	1.3
115.78887	1.4
120.58517	1.1
132.02055	4.9
145.02763	1.2
146.03670	2.5
160.01570	11.1
161.02361	1.6
161.05975	1.7
164.04762	1.9
179.07062	8.1
180.07481	1.1
197.05998	1.1
211.07599	1.3
221.06026	1.9
222.06813	5.0
223.04005	1.3
223.07538	3.4
224.08385	2.7
225.05510	2.2
233.06006	1.5
237.05441	1.4
237.09145	1.4
238.06355	2.1
239.07065	3.4
240.07854	10.8
243.06509	6.3
244.07387	6.1
250.06430	3.1
251.07120	5.4
252.07837	3.2
253.08484	1.2
255.10260	4.2
256.07510	1.3
261.05582	1.5
263.07062	3.7
267.06656	2.9
267.10187	1.7
268.07391	18.2
269.07687	1.9
276.29355	1.2
278.05762	1.8
279.06598	5.5
280.07388	21.1
281.07974	3.4
283.09799	17.0
289.05103	1.5
291.06635	1.7
293.08136	3.6
294.08945	3.3
295.06107	4.8
296.06967	13.3
297.07306	1.3
302.02844	1.3
306.05615	1.3
307.06131	3.8
308.06924	20.1
308.10291	2.2
309.07672	17.4
310.08395	1.9
311.09235	8.4
321.07693	4.8
322.08398	11.0
323.05374	2.2
323.09207	38.3
324.06360	19.3
324.09961	16.9
325.06735	2.5
337.10803	12.0
338.11624	25.4
339.08740	100.0
339.12332	9.9
340.09042	11.4
340.12634	1.7
353.10373	11.2
354.11093	74.3
355.11292	10.8
365.40649	1.5
369.06223	1.9
369.13440	67.4
370.13889	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	369.119
Annotation	Unknow
Peak:m/z	Relative Intensity
54.62065	0.6
55.01760	3.9
57.03048	1.1
57.03323	16.9
59.01244	3.2
61.98694	1.4
65.03825	2.6
67.01750	1.3
68.99691	1.5
69.64637	4.4
71.01262	6.8
72.99172	1.5
73.02811	2.6
75.00740	1.3
83.01272	8.1
84.02048	2.0
85.02824	100.0
86.03159	2.3
87.00776	0.6
89.02308	0.6
94.59461	0.6
97.99221	0.7
99.00751	2.8
101.02316	4.3
103.03902	0.7
105.72258	0.7
111.00765	25.4
112.01102	0.7
119.08575	3.2
129.01830	35.7
130.02141	1.0
136.89796	0.7
161.04466	2.8
165.09125	0.8
187.02487	0.7
205.03471	17.0
211.08827	0.6
223.04541	4.7
264.31198	0.6
324.06360	0.8
324.09857	0.9
339.08694	1.7
351.10806	0.7
354.11111	1.3
369.12717	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.0823
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01726	3.3
57.03319	17.4
59.01242	5.7
69.45097	9.0
69.45527	9.9
70.78909	2.4
71.01247	10.5
73.02821	4.4
80.83069	2.2
83.01257	10.5
84.02003	2.7
85.02817	100.0
101.02317	10.5
111.00751	45.2
119.04881	9.2
129.01804	38.1
147.02887	3.0
163.03940	8.0
205.03462	33.1
206.03670	2.5
223.04527	90.2
224.04794	3.7
352.13251	2.7
365.56454	2.5
365.61346	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.0826
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12909	1.0
50.63449	1.1
55.01749	4.8
57.03323	10.7
59.01256	10.7
68.99666	1.8
69.29688	9.6
71.01254	16.1
72.99184	5.6
72.99532	1.1
75.00751	15.9
83.01260	16.3
84.02028	2.5
85.02824	100.0
86.03153	2.0
87.00719	1.7
89.02322	4.1
93.03306	1.4
98.20202	5.4
98.20679	1.2
99.00763	3.1
101.02328	1.8
103.00235	1.5
111.00766	15.6
115.00242	3.0
117.03336	1.6
119.04912	24.8
121.02829	1.5
125.02330	1.8
129.01836	19.6
133.01331	3.9
133.02849	1.6
143.03389	7.5
145.01306	1.3
145.01738	1.3
145.02832	9.2
145.21237	1.2
147.02873	7.6
153.66737	1.1
154.99734	2.5
163.00201	1.3
163.03922	32.2
164.04237	1.4
165.04135	8.7
173.00847	19.9
175.91559	1.1
191.01909	62.6
192.02229	2.0
203.06972	1.3
205.03532	2.3
214.86951	1.1
223.04546	48.2
224.04878	1.7
225.11351	1.1
231.06522	4.1
249.00447	2.1
257.15878	1.2
281.08389	2.9
285.03918	2.0
288.40625	1.2
297.03925	2.8
298.04871	2.0
331.92828	1.8
337.05472	2.8
369.05829	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	369.0825
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01745	3.0
57.03323	15.7
59.01239	5.1
67.01744	1.7
71.01281	5.9
71.01617	1.1
71.18786	2.5
72.99152	1.4
73.02803	2.1
75.00758	2.8
76.94907	1.1
77.69758	1.0
79.06019	1.2
83.01263	8.0
84.02048	2.8
85.02821	88.8
86.03185	1.5
87.00742	2.3
101.02323	6.8
111.00761	35.4
119.04900	6.7
129.01825	28.5
130.02158	1.2
147.02934	2.8
161.04492	2.5
162.32388	1.3
163.03922	7.1
176.43640	1.1
187.02435	2.4
198.36174	1.4
205.03448	35.3
223.04533	100.0
224.04932	3.4
285.82416	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.0825
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01749	4.0
57.03322	17.6
59.01240	3.1
67.01752	1.7
68.99688	1.3
69.94012	2.6
71.01246	6.5
72.99168	1.5
73.02829	2.3
73.49833	0.5
75.00742	2.3
83.01250	10.7
84.02045	2.2
85.02818	100.0
86.03152	2.2
87.00725	1.0
89.02289	0.8
97.25036	0.5
98.81902	0.5
99.00759	1.2
101.02321	6.1
103.03864	0.6
108.81995	0.5
111.00755	30.9
112.01103	0.7
119.04067	0.9
119.04913	15.4
120.05272	0.8
129.01822	38.4
130.02148	1.2
131.50545	0.5
137.35837	0.5
139.73683	0.5
143.03404	1.2
145.02850	1.2
145.19221	0.5
147.02930	1.5
161.04471	2.2
163.03908	16.8
165.04013	0.8
179.05455	0.9
184.02612	0.8
187.02388	1.7
191.01895	1.1
196.21071	0.5
198.49323	0.5
205.03455	21.3
206.03847	0.7
223.04530	39.0
224.04800	1.3
263.39954	0.5
269.45590	0.5
289.06528	0.6
291.66772	0.6
384.57016	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.0824
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20776	0.8
51.98978	0.8
55.01754	4.1
57.03321	23.7
59.01253	7.1
67.01746	2.2
68.99703	1.0
69.28118	2.6
69.28535	4.9
71.01252	10.1
72.99179	1.9
73.02818	3.5
75.00740	4.2
83.01251	11.0
84.02050	2.9
85.02820	100.0
85.97282	0.9
86.03173	2.4
87.00736	3.2
101.02324	8.5
103.00230	1.3
104.69269	0.9
107.06719	0.7
111.00757	43.1
112.01117	1.0
119.04903	8.4
129.01828	29.5
147.02884	3.4
161.04471	2.7
163.03902	6.9
187.02400	2.9
205.03465	33.3
206.03813	1.4
223.04535	85.4
224.04779	2.3
307.68832	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.0825
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01748	5.5
57.03058	1.3
57.03321	24.9
58.95526	1.1
59.01241	3.0
66.98445	1.0
67.01753	1.1
68.99688	1.0
69.41657	4.1
69.42075	4.6
70.37250	1.1
71.01248	8.6
72.99175	3.4
73.02806	2.2
75.00747	2.8
81.03313	1.5
83.01256	10.7
84.02030	3.0
85.02821	100.0
86.03148	3.1
87.00780	1.6
99.00744	2.1
101.02311	6.0
111.00768	31.4
113.02335	1.3
119.04907	12.8
125.02310	5.5
129.00887	1.9
129.01828	30.2
140.49513	1.1
143.03403	1.6
145.02820	1.5
147.02881	3.5
161.04436	2.2
163.03920	9.3
205.03468	19.9
223.04529	31.5
224.04782	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	369.0824
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	3.8
57.03323	13.1
59.01241	22.4
70.01942	7.4
71.01254	38.4
72.99179	9.1
73.02815	4.9
75.00724	4.0
75.44650	2.0
83.01250	11.7
85.02818	100.0
87.00745	3.7
89.02321	6.8
94.16510	2.6
98.20569	2.3
99.00773	6.4
101.02315	5.0
103.00229	2.6
111.00758	13.8
113.02300	2.6
115.00238	4.4
117.03322	2.5
119.04901	43.1
129.01843	18.1
133.01318	3.3
133.02869	6.1
139.12657	2.2
143.03418	5.1
145.02855	16.7
147.02913	6.9
149.02316	4.8
163.03906	64.8
164.04366	6.8
164.08374	4.5
165.04079	12.3
165.05396	3.9
173.00835	7.0
177.01601	2.4
179.07010	2.5
184.27586	2.4
189.05467	2.4
191.01877	55.3
205.03514	7.4
223.04469	48.8
231.06557	4.3
243.00807	2.7
299.02011	2.2
301.03479	3.9
309.03882	4.8
309.13379	3.9
339.08286	3.1
341.07062	2.9
369.05890	13.6
390.25610	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	369.0825
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01747	6.6
57.03323	15.3
59.01247	28.5
71.01247	40.3
71.49766	2.3
72.99174	14.8
73.02837	2.6
75.00742	4.3
81.03308	2.0
83.01257	32.2
84.02037	3.2
85.02822	100.0
87.00770	2.3
89.02315	6.8
93.03316	3.3
99.00757	8.1
101.02309	5.0
109.58176	2.2
111.00761	27.2
113.02354	3.2
115.00254	7.1
117.03314	4.2
119.04919	62.5
120.05267	4.9
125.02304	4.8
129.01822	41.6
133.01303	4.3
133.02811	5.4
134.94298	2.0
143.03384	16.0
145.02861	17.9
147.02873	6.1
147.04396	3.1
154.99757	5.7
158.97450	2.0
163.03912	75.7
163.85715	2.0
164.04243	3.6
165.04008	3.7
173.00847	37.7
174.01552	5.8
175.03864	2.8
177.01790	2.6
185.05959	3.6
191.01892	43.7
203.07042	5.2
205.03438	5.0
223.04541	35.5
231.06548	7.1
285.04111	2.6
297.03976	5.1
298.04861	4.4
309.03922	7.3
319.04535	3.2
341.06805	2.9
369.06003	20.4
369.11407	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	369.0687
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03308	0.8
59.01233	1.3
69.42141	0.7
70.69686	1.0
70.70033	1.1
71.01237	1.1
76.69370	0.6
85.02822	6.0
85.79584	0.5
92.35553	0.6
111.00740	0.7
119.76591	0.6
122.03444	1.4
129.01825	2.2
148.32510	0.5
150.01711	1.3
163.06279	0.8
165.04082	100.0
166.04469	3.1
184.78976	0.6
205.03520	0.9
223.04523	3.8
272.84723	0.6
283.06717	0.7
369.07544	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.0824
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20596	1.4
55.01746	6.2
56.52287	1.5
57.03320	19.9
59.01247	5.1
67.01733	1.6
67.67007	1.3
70.41053	4.5
71.01249	8.8
71.80981	1.5
72.99194	4.3
73.02814	2.1
73.34922	1.3
75.00716	1.6
81.03280	1.7
83.01263	10.4
84.02037	3.1
85.02821	100.0
86.03186	2.3
87.00745	1.8
95.16724	1.4
99.00764	2.5
101.02325	4.9
109.20516	1.3
111.00761	33.7
119.04897	9.5
125.02340	4.1
129.01826	34.2
134.58189	1.6
147.02875	2.5
148.98434	1.6
161.04469	3.1
163.03941	7.6
165.04092	28.1
179.62357	1.4
187.02405	2.5
205.03465	33.7
223.04533	80.7
224.04900	1.8
276.75870	1.8
284.53497	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.0687
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	0.7
64.57056	0.2
68.89211	0.2
70.00616	0.2
71.01255	0.4
71.49301	0.3
71.62913	0.2
76.92268	0.2
85.02819	0.4
89.02299	0.3
96.95859	0.3
98.95467	0.8
99.83817	0.2
101.02317	0.3
112.03922	0.7
113.02314	0.2
122.03490	1.9
149.05933	0.4
150.01738	1.5
151.02524	2.5
154.04974	0.4
163.02528	0.2
163.06178	0.7
164.04623	0.2
165.04091	100.0
166.04492	3.0
181.07207	0.5
202.82324	0.2
207.05051	1.1
207.06378	0.2
207.06830	0.4
283.06805	2.6
297.08371	0.5
369.05566	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.013
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29100	4.0
52.48191	4.3
53.46796	4.1
59.01258	23.8
60.01571	4.1
71.01255	7.2
71.08400	7.1
71.08728	5.9
72.01593	4.5
80.96384	9.9
82.95965	27.0
89.02323	7.0
96.95369	5.8
96.95892	59.5
98.95457	100.0
98.96294	16.0
101.02345	5.4
101.61154	4.0
106.02863	20.7
107.03197	19.6
150.55537	4.9
165.04102	20.5
178.98103	5.2
187.98128	11.3
188.98479	6.7
317.52054	4.8
368.05276	6.1
369.05093	85.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.0686
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	0.6
71.12552	0.7
83.01254	0.6
85.02823	3.9
89.02337	0.6
96.91566	0.4
111.00715	1.0
122.03497	1.6
129.01825	1.8
138.60449	0.5
139.71477	0.5
150.01749	1.7
151.02527	1.2
156.10011	0.5
163.06078	0.5
165.04088	100.0
166.04453	3.9
167.71890	0.5
205.03473	1.1
207.05159	1.6
215.61020	0.5
223.04478	2.3
283.06873	0.7
394.93063	0.5
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
57.03311	0.8
59.01248	4.5
64.99065	0.4
67.38707	0.4
67.90195	0.3
71.01258	2.6
71.38189	0.5
72.99182	0.6
79.63421	0.4
79.84853	0.4
83.01255	0.9
85.02827	4.8
89.02335	2.3
101.02326	1.3
109.89111	0.4
111.00791	1.4
113.02342	0.7
119.04919	100.0
120.05264	4.6
129.01811	0.9
130.04109	2.1
131.04922	0.5
134.15279	0.3
144.04475	1.0
158.06052	1.2
161.04510	0.4
163.03972	0.7
188.07080	5.2
205.03484	1.0
206.08209	0.6
212.66412	0.5
223.04530	3.4
234.28474	0.5
248.07890	0.7
303.69955	0.4
322.64526	0.4
354.11737	0.4
368.13510	5.9
369.13760	0.7
370.78644	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.098
Annotation	Unknow
Peak:m/z	Relative Intensity
55.18618	2.4
59.01249	66.9
69.46398	16.1
71.01257	25.1
72.67594	3.3
72.99147	2.9
73.02816	44.4
83.01237	7.8
85.02818	3.9
89.02299	3.0
90.03356	3.7
93.03347	2.9
98.20572	4.8
101.02312	20.7
109.02814	7.7
113.02334	7.9
118.02876	28.7
121.02803	3.8
126.79318	3.0
137.02339	5.9
146.02383	100.0
147.02670	7.5
163.02635	7.7
164.03453	8.6
190.47397	2.8
212.98376	2.8
221.49313	2.8
291.07727	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	368.0985
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34845	2.0
59.01250	55.4
59.93492	1.9
68.34524	1.9
69.03316	1.9
71.01253	27.1
71.52734	3.7
72.99158	3.2
73.02819	40.7
74.64276	1.8
83.01253	10.5
85.02815	5.0
89.02334	2.9
93.03333	2.6
99.03726	1.8
101.02332	25.3
109.02812	6.9
113.02307	5.7
118.02881	34.1
121.02823	2.5
131.03476	2.4
137.02313	6.0
146.02382	100.0
147.02684	3.8
148.03896	4.2
161.04326	2.0
163.02621	7.0
164.03386	6.8
190.04868	2.8
190.43466	1.9
301.30365	1.7
311.12500	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.264
Annotation	Chemanox 22
Peak:m/z	Relative Intensity
59.01240	1.4
61.35493	0.7
90.44638	0.7
111.68177	0.7
123.65205	0.9
133.06485	9.7
144.67427	0.8
149.09618	83.9
150.10007	4.6
171.40691	0.8
185.96208	0.7
186.97534	0.8
205.15901	47.6
206.16281	3.7
295.16931	3.4
328.16730	2.1
367.26392	100.0
368.26718	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	367.2487
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	3.6
59.01253	4.3
64.59093	0.4
71.01257	1.0
71.41708	0.8
85.06450	0.4
89.02325	0.5
91.03889	0.5
97.06448	0.5
109.06470	0.8
113.08822	0.9
113.09608	16.7
118.09668	0.4
125.09534	0.5
135.11676	0.9
139.11172	1.5
149.09648	0.5
161.04483	0.6
167.10725	2.7
177.12682	1.3
179.10666	2.3
179.40247	0.4
195.13843	2.6
208.17630	0.4
210.40848	0.5
249.22169	2.2
293.21213	100.0
294.21518	10.8
307.10370	0.8
317.51300	0.4
367.16025	0.5
371.96744	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2124
Annotation	Delta17-6-keto PGF1alpha
Peak:m/z	Relative Intensity
57.03315	0.2
58.00470	0.3
59.01237	0.6
61.60508	0.1
65.45055	0.1
69.03326	0.2
70.84011	0.3
70.84417	0.3
73.02837	0.1
74.02303	0.2
83.04887	0.5
87.04375	0.4
87.78542	0.2
102.84585	0.2
113.05971	1.1
149.09589	0.2
151.11150	0.5
165.64160	0.1
167.10576	0.1
191.14270	0.5
192.16882	0.1
217.12250	0.2
217.15912	0.2
229.15860	0.3
231.17534	1.0
241.15990	0.4
243.17389	0.2
245.15536	0.2
247.17102	0.3
255.17508	0.9
257.15555	0.3
257.19064	0.7
259.98453	0.2
263.19986	0.2
269.15482	0.3
271.16998	0.7
273.18610	1.0
275.20038	0.3
285.18585	4.8
286.18970	0.5
287.16531	0.5
287.20184	0.8
291.19421	0.2
293.21277	0.2
301.18143	0.2
303.19650	2.2
304.19922	0.3
305.21237	1.8
331.19141	2.5
332.19550	0.4
349.20306	1.0
365.19699	2.3
366.20184	0.2
367.21231	100.0
368.21567	11.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2487
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03319	3.5
59.01253	3.9
71.30170	0.5
71.79311	0.4
72.99192	0.4
80.11111	0.4
89.66523	0.3
91.03893	0.4
97.06479	0.5
109.06430	0.4
110.26704	0.3
113.09602	16.2
114.09921	0.6
121.22982	0.4
139.11191	1.5
149.09628	0.6
167.10645	2.2
177.12804	1.0
179.10695	1.4
195.13811	2.6
221.18954	0.4
249.22180	1.9
273.24521	0.4
275.20032	0.8
291.65082	0.3
293.21210	100.0
294.21561	10.7
307.10477	0.4
330.05566	0.6
333.46265	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2122
Annotation	6beta,7beta,16alpha,17-Tetrahydroxy-ent-kauranoic acid
Peak:m/z	Relative Intensity
57.03313	0.3
59.01243	0.9
59.06689	0.2
71.01259	0.2
71.04863	0.2
71.50375	0.1
71.50886	0.2
72.99177	100.0
73.99513	1.0
96.95889	0.2
109.06516	0.2
111.08067	0.1
121.06529	0.2
125.09632	0.2
133.06461	0.1
165.05476	0.4
165.12769	1.0
177.12706	0.1
181.09126	0.1
209.11720	0.3
231.17528	0.2
261.22290	0.2
287.20197	0.5
293.21228	4.8
294.21487	0.4
305.21213	18.9
306.21552	1.8
331.18973	0.4
349.20154	1.5
353.09445	0.1
355.84976	0.1
367.21310	6.0
368.21545	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1396
Annotation	8alpha-Acetoxy-10alpha-hydroxy-13-O-methylhirsutinolide
Peak:m/z	Relative Intensity
57.03318	1.4
58.02847	0.5
58.60545	0.6
59.00995	0.7
59.01249	8.0
60.73257	0.5
67.01762	0.6
68.99693	1.0
69.03321	2.3
71.01254	3.4
71.32310	0.6
71.50203	0.8
72.99184	6.6
73.52832	0.5
75.00742	1.6
75.79451	0.5
78.72709	0.6
78.95771	1.6
80.96407	0.7
81.03316	0.7
83.01238	0.7
83.04884	1.8
85.02831	0.9
93.03310	0.7
95.01285	0.7
95.04906	1.4
96.95892	1.7
97.02818	0.7
97.06489	0.6
99.00752	19.7
99.04373	0.5
106.04150	0.7
107.04904	0.8
108.02047	2.8
109.02857	1.1
109.06432	0.7
109.99931	0.7
111.00742	1.3
112.01535	1.1
115.00264	3.1
116.58031	0.6
121.02861	1.1
121.06484	1.4
122.03590	1.0
123.00755	1.1
124.98663	0.7
132.05684	0.7
133.02850	1.2
136.01563	0.9
137.02332	0.6
138.03185	1.2
139.00299	0.6
140.01036	4.7
144.00542	1.8
147.11699	0.6
149.02362	1.1
149.05962	0.7
150.03102	1.1
151.03868	0.8
152.99498	2.6
154.27040	0.6
156.00491	2.8
162.03262	0.6
163.03966	3.9
164.04681	3.4
166.02615	0.6
171.10161	0.9
175.03931	1.1
177.05478	5.8
177.12811	0.7
179.51649	0.6
189.12785	0.9
191.14359	0.9
192.04202	2.0
193.12175	0.7
201.12871	0.7
205.12283	1.0
207.13785	2.6
217.12282	1.2
219.13930	0.7
221.11890	1.1
223.13373	5.2
231.13861	0.8
233.11670	1.5
235.13377	1.0
243.10226	0.8
245.11812	1.2
247.13365	1.0
249.14864	1.7
251.12755	1.7
252.16194	0.8
259.13345	1.3
261.11270	3.4
261.14975	1.0
263.12772	3.1
271.09793	0.9
277.11111	0.7
277.14453	1.9
278.11578	1.0
278.32126	0.6
279.12372	11.8
279.15640	1.1
280.12689	1.1
287.12805	1.4
289.10770	2.9
289.73294	0.6
291.12408	0.6
293.13885	1.6
297.07935	0.6
305.13892	2.8
307.11856	28.4
308.12201	2.9
331.11951	0.8
337.12927	4.0
349.12921	5.4
367.13934	100.0
368.14291	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	367.1396
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	0.6
57.28463	0.5
59.01239	3.9
60.09009	0.5
67.40245	0.5
67.92169	0.5
68.99678	0.9
69.03316	1.6
71.01265	3.1
71.07583	0.8
71.07893	0.6
72.99179	1.8
74.42249	0.5
75.00733	1.5
80.02518	0.5
83.04891	1.1
90.25222	0.5
95.04882	1.1
97.02827	0.6
97.06469	0.6
99.00755	17.9
106.04101	0.6
108.02047	2.3
109.02827	0.8
111.00798	1.1
112.01536	1.6
115.00234	2.7
121.02827	0.6
121.10107	0.6
122.03582	1.0
123.00764	0.9
124.01582	0.6
124.98678	1.7
132.91469	0.7
134.62434	0.6
136.01547	1.2
136.05162	0.5
140.01041	4.6
144.00514	1.6
147.08040	0.8
149.02284	0.5
150.03114	1.1
156.00540	3.1
163.03926	3.2
164.04735	4.1
166.02620	0.7
167.83694	0.5
175.03929	0.8
177.05490	6.6
177.12695	0.9
189.12724	1.0
191.03455	0.8
192.04181	1.0
193.12186	0.7
200.03169	0.6
201.12717	1.5
205.12242	1.3
207.13786	2.4
208.14188	0.5
217.12239	1.0
219.13797	1.3
220.47040	0.5
221.11819	0.9
221.15372	0.9
223.13316	3.6
231.13809	0.6
233.11765	1.6
233.15367	0.7
234.12440	0.7
235.13342	1.5
242.10829	0.5
245.11774	1.6
247.13321	0.9
249.11151	0.6
249.15054	1.6
251.12843	1.7
259.13303	1.0
261.11252	3.5
261.14963	1.0
263.12802	2.7
265.14297	0.8
275.12802	0.8
277.14423	1.6
278.11475	0.6
279.12341	7.7
280.12888	0.9
287.12848	1.2
289.10812	2.4
291.12283	0.7
293.13855	1.2
305.13989	2.6
307.11865	29.4
308.12186	2.5
319.11804	1.1
331.11993	0.7
337.13065	4.1
338.13690	0.7
349.12949	6.2
367.13947	100.0
368.14279	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	367.1399
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03304	1.5
59.01252	5.5
69.03320	2.5
69.58041	4.3
69.77068	0.6
71.01261	4.7
72.99164	1.6
75.00729	1.3
83.01253	0.9
83.04903	1.6
85.02823	0.9
93.03336	1.2
95.04866	1.2
97.02831	1.2
99.00757	21.4
106.04121	0.8
107.04903	1.0
108.02050	2.9
109.02847	0.9
109.06448	1.1
111.00749	2.2
112.01542	1.0
115.00229	2.7
120.88445	0.6
121.02844	1.4
121.06498	1.3
122.03616	1.0
122.99667	0.6
123.00704	1.1
124.01547	0.8
124.98646	1.0
125.02255	0.9
127.00234	0.7
135.04439	0.6
135.08125	0.8
136.01564	0.9
140.01047	5.1
144.00549	1.8
148.05141	1.0
150.03125	0.7
152.01001	0.7
156.00542	5.6
161.09656	0.8
161.13301	0.8
163.03899	4.0
164.04704	4.2
166.02626	1.3
175.03917	1.0
177.05499	7.6
177.12828	1.0
185.14517	0.8
189.12787	1.1
191.03403	1.0
192.04266	1.4
193.12190	0.8
201.12811	1.1
205.12251	1.2
207.13858	2.8
209.11914	0.8
217.12318	1.0
219.13902	1.0
220.03790	0.7
221.11838	0.9
221.15372	1.5
223.13351	4.4
231.13826	1.0
233.11732	1.7
233.15585	0.9
235.13390	1.5
245.11862	2.6
247.13394	1.2
248.22047	0.8
249.14920	2.5
251.12886	2.2
259.13394	1.9
261.11359	2.8
261.14920	1.8
263.12894	3.4
275.12988	0.9
277.14471	2.2
278.11618	0.8
279.12399	10.2
287.12796	1.7
289.10715	3.6
293.14014	1.5
305.14072	3.6
307.11911	30.0
307.15491	1.5
308.12204	2.9
319.11969	0.7
331.11841	1.5
337.12906	5.4
349.12924	5.3
367.13962	100.0
368.14279	11.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1396
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03306	0.9
57.18472	0.4
59.01250	4.7
61.76451	0.4
66.10622	0.4
68.99693	0.8
69.03329	2.2
69.26960	1.1
69.27377	3.3
71.01251	3.7
72.66466	0.4
72.99177	0.9
75.00728	1.7
79.05402	0.5
81.03327	1.2
83.04879	2.2
84.97381	0.4
85.02819	1.5
91.05399	0.6
93.03354	0.4
95.01234	0.6
95.04877	1.4
97.02851	0.7
99.00751	23.8
100.01071	0.6
107.04877	0.8
108.02020	2.4
109.02798	0.7
109.06474	0.6
110.00003	0.8
111.00774	1.9
112.01543	2.1
115.00250	2.3
119.04915	0.7
121.02815	1.3
121.06467	0.6
121.10121	0.6
122.03629	1.3
123.00723	0.8
123.04446	0.7
124.01566	1.1
124.98693	1.2
125.02303	0.6
129.00742	0.4
129.01794	0.7
135.04407	0.8
136.01581	1.6
136.05144	0.8
137.99522	0.5
138.03142	1.1
140.01059	5.8
144.00522	1.4
147.08003	0.7
148.05177	0.8
149.02399	0.5
149.05962	0.6
150.03140	0.5
151.03789	0.7
152.01054	0.6
156.00471	2.4
160.05244	0.5
163.03912	2.8
163.07703	0.7
164.04686	4.3
166.02545	0.8
167.06053	1.9
175.03874	1.0
175.11240	0.4
177.05469	6.6
177.12733	0.7
178.02617	0.5
179.14230	0.5
180.26955	0.5
187.11186	0.4
189.09084	0.5
189.12741	1.1
191.03404	0.8
192.04259	1.1
193.12296	1.2
200.03261	1.1
201.12811	1.5
203.14212	0.5
205.12286	0.9
207.13847	3.4
209.07092	0.9
217.12268	2.1
219.13840	1.7
221.11743	0.7
221.15375	0.8
223.13316	4.6
231.13834	0.7
233.11768	1.9
235.13329	1.7
243.10240	0.6
243.13898	0.6
245.11809	1.9
247.13515	0.8
249.14992	1.6
251.12781	1.6
251.45132	0.5
259.13559	0.6
260.22028	0.5
261.11295	4.3
261.14883	0.7
263.12869	2.7
265.14459	1.1
269.11746	0.6
277.14450	2.3
278.11563	1.6
279.12399	11.9
280.12726	0.8
287.12897	1.4
289.10867	2.9
293.13907	1.4
305.13956	2.3
306.12418	1.7
307.11859	28.5
308.12213	3.0
309.13559	0.5
319.11853	1.1
323.15045	1.0
331.12015	1.0
337.12906	3.8
349.12918	4.7
367.13947	100.0
368.14417	9.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1398
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37095	0.6
53.08141	0.5
55.08325	0.6
57.03313	1.2
59.01252	7.5
65.03811	0.9
68.99667	0.7
69.03323	3.0
71.01255	4.5
71.50829	0.8
71.51496	0.5
72.99167	1.5
73.02796	0.6
75.00748	1.6
78.95730	0.8
81.03329	0.7
83.01245	0.8
83.04881	1.8
85.02820	1.3
87.00758	0.6
88.19798	0.5
88.75299	0.5
91.50043	0.5
93.03320	1.0
95.04897	2.1
96.95891	0.9
97.02817	0.9
97.06464	1.3
99.00755	21.1
107.04913	0.9
108.02020	2.3
109.02861	1.3
109.06464	1.4
111.00772	1.7
111.04395	0.7
112.01524	1.3
114.87428	0.5
115.00246	2.9
121.02830	1.8
121.06422	0.7
122.03635	1.3
123.00750	1.7
123.04428	0.8
124.98714	1.5
125.02313	1.0
133.02930	0.7
134.03699	0.7
134.98232	0.6
135.04416	1.1
135.08089	0.7
136.01549	1.6
137.02307	0.8
137.66238	0.6
137.99525	1.2
138.03114	1.3
139.11110	0.6
140.01044	4.4
144.00554	1.6
145.25549	0.5
147.11732	0.8
149.02304	0.8
152.99516	0.8
156.00551	4.7
161.04559	0.8
161.09593	0.7
161.13319	0.7
163.03894	4.0
164.04707	5.1
164.16794	0.5
165.05084	0.6
166.02594	1.7
177.05489	6.4
177.12820	1.2
178.02885	0.7
178.05789	0.7
189.12779	1.3
191.03448	0.6
192.04253	1.6
201.12810	1.8
205.12328	2.2
207.13829	3.8
210.05702	0.6
217.12396	1.0
217.16150	0.7
219.13799	1.2
221.11723	0.8
223.13344	4.5
231.13747	1.0
233.11783	1.7
233.15433	0.8
235.13380	1.5
243.13850	1.0
245.11737	1.5
247.13406	1.3
249.14967	1.9
251.12846	1.8
253.56389	0.6
259.13425	0.7
261.11304	4.3
261.14874	1.6
263.12811	1.9
265.14389	1.0
277.14432	2.1
278.11484	0.7
279.12350	10.8
279.15378	0.9
287.12946	1.4
289.10757	2.8
293.13895	1.5
304.51376	0.8
305.13992	2.6
307.11877	30.9
308.12195	2.6
309.13165	0.6
323.14972	0.8
331.11765	1.3
337.12961	4.4
349.12927	4.8
350.13141	0.7
367.13940	100.0
368.14279	10.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1244
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03313	2.9
58.00470	2.8
59.01250	35.5
67.01750	6.0
69.03321	8.9
69.22690	2.0
69.40076	17.8
71.01250	29.7
72.99174	8.3
75.00731	7.9
81.03327	3.0
83.04884	3.2
84.27007	1.9
85.02827	29.6
87.00748	15.1
89.02316	16.9
93.03336	30.6
95.04881	3.1
97.02814	7.8
99.00751	2.6
99.04391	6.2
101.02306	14.4
107.04916	16.1
111.04403	6.0
113.02302	11.7
119.03395	5.4
120.58669	2.1
125.02390	3.0
125.05998	5.3
129.01799	5.1
129.25603	2.0
131.03381	4.9
134.03625	25.0
143.03517	2.4
147.19412	2.3
151.03889	6.0
159.06512	9.0
166.82037	2.1
167.62282	2.1
169.05006	19.5
173.04504	15.9
175.03847	2.3
187.06056	23.0
191.05544	100.0
192.05870	4.3
193.04999	14.1
266.44348	2.2
293.08588	3.7
349.11362	15.6
350.11676	3.1
367.12711	16.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1034
Annotation	3-O-Feruloylquinic acid
Peak:m/z	Relative Intensity
57.03332	2.5
59.01240	7.9
60.99168	2.1
61.87565	1.2
66.29041	1.2
67.01756	5.0
68.01316	1.2
69.03325	1.5
71.01263	4.2
71.43030	1.3
85.02824	9.6
87.00742	8.8
90.45071	1.2
91.26686	1.1
92.01652	1.1
93.03335	30.4
96.95891	1.2
99.00757	1.4
111.00723	1.2
111.04405	4.8
117.03349	2.0
119.04952	2.0
127.03927	2.4
129.01813	4.2
134.03627	18.1
146.05966	1.8
149.05954	2.1
163.03741	1.2
173.04460	14.9
175.96878	1.1
191.05544	100.0
192.05862	4.2
193.04987	11.8
358.30634	1.2
367.10309	2.3
393.13492	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	366.2648
Annotation	(5Z,8Z)-tetradecadienoylcarnitine
Peak:m/z	Relative Intensity
56.92552	0.9
57.03313	1.0
59.01246	3.9
60.99173	4.5
61.98701	1.0
70.68516	2.8
72.00777	2.8
72.04424	3.2
74.02342	100.0
84.04412	1.6
89.02306	0.9
93.96666	0.9
96.95845	1.4
97.06490	1.0
97.90829	0.9
101.02289	1.1
104.03412	28.5
184.67111	0.9
213.60344	1.1
261.22205	4.4
279.23300	2.2
290.24927	4.3
292.26370	5.3
304.26428	21.0
305.26697	2.6
305.99026	1.0
317.21216	3.3
318.24365	17.1
335.22324	3.1
336.25424	53.2
337.25684	6.0
366.05307	1.3
366.26471	78.2
367.26761	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	366.1039
Annotation	Unknow
Peak:m/z	Relative Intensity
55.30120	0.6
57.88558	0.6
59.01240	3.6
61.98702	100.0
69.52914	4.2
71.01273	2.0
72.99180	1.0
80.96392	1.5
85.02831	0.8
89.02315	1.1
94.81866	0.5
96.95914	1.7
98.20281	2.0
99.00769	1.3
116.01170	0.6
116.85629	0.6
120.99556	0.7
142.99797	1.2
144.54843	0.7
153.05508	0.6
161.04385	0.6
173.00822	0.7
174.40044	0.6
220.37927	0.5
247.58464	1.2
366.04956	1.0
366.18924	1.2
367.13986	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	366.1188
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00467	1.5
59.01250	23.4
69.18513	6.2
69.18920	1.5
71.01247	11.2
72.99168	3.6
75.00736	3.5
83.01231	0.6
84.01537	0.8
85.02812	4.9
87.00748	2.1
89.02324	7.5
94.44661	0.7
95.01271	1.4
96.95861	1.0
98.20615	1.1
99.00756	1.3
101.02307	8.0
110.16092	1.0
113.02324	3.1
116.04944	9.8
119.03415	3.7
119.04914	9.1
128.04962	2.4
130.06479	2.9
130.97728	0.8
142.06520	100.0
143.06868	5.5
144.04422	0.7
154.05983	0.9
158.06030	9.4
163.03903	5.3
186.05518	43.8
187.05833	3.4
204.06595	27.6
204.13167	1.0
205.06960	2.4
223.96353	0.8
231.57294	0.7
237.06104	1.3
246.07677	2.8
366.11911	59.5
366.18427	6.2
367.12259	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	366.0827
Annotation	Unknow
Peak:m/z	Relative Intensity
56.99605	0.4
59.01248	0.8
59.36615	0.4
64.09167	0.4
70.62758	0.6
70.63103	1.0
77.94549	0.5
116.04936	4.2
133.80872	0.5
159.03192	1.0
160.03943	100.0
161.04292	4.9
204.02953	4.1
366.08255	19.1
367.08707	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	366.0498
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57810	0.2
55.01749	0.2
57.03315	0.3
58.00461	0.9
59.01253	14.0
60.01591	0.3
69.48029	0.2
70.99848	0.3
71.01254	8.4
72.99176	0.9
73.02814	0.3
79.95608	3.1
80.96391	28.9
83.01257	0.7
84.34486	0.2
85.02825	2.0
87.00751	0.2
89.02318	7.5
95.01272	1.0
95.95100	2.6
96.95890	100.0
97.02817	1.4
97.95827	0.6
99.00761	0.2
101.02321	5.0
103.49878	0.2
106.02868	24.9
107.03188	0.9
113.02328	2.8
119.03393	3.4
122.02354	0.2
127.56525	0.2
131.03433	0.2
149.04494	0.3
161.04391	0.3
176.98557	3.9
179.05515	0.3
185.98595	17.0
186.98912	0.4
188.00157	6.0
188.01797	0.4
366.04968	69.2
367.05280	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	366.05
Annotation	Unknow
Peak:m/z	Relative Intensity
56.64041	0.3
57.03315	0.4
58.00463	0.8
59.01252	19.4
60.01588	0.4
70.95402	0.4
70.95721	0.5
71.01255	8.5
79.95618	2.8
80.31708	0.3
80.96391	28.7
81.81333	0.3
83.01266	0.6
85.02821	2.0
89.02319	7.4
95.01283	0.6
95.95099	2.8
96.95889	100.0
97.02843	1.0
101.02320	4.6
106.02868	26.2
107.03201	1.0
113.02314	2.6
116.04950	1.1
119.03381	3.7
143.03314	0.3
160.03952	25.5
161.04289	1.2
176.98531	4.3
179.05447	0.5
181.00583	0.3
185.98593	14.1
186.99034	0.6
188.00169	4.3
203.99834	0.3
204.02965	1.0
366.04919	51.4
366.14276	1.3
367.05280	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	365.246
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01238	84.9
70.08623	100.0
78.19212	21.6
100.75572	26.5
113.09142	24.1
120.88730	22.8
131.11418	24.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2693
Annotation	(+)-Plumosol
Peak:m/z	Relative Intensity
59.01249	5.4
69.46325	7.9
85.06438	2.6
91.09499	1.2
96.95866	2.5
101.71577	1.0
105.81155	1.0
152.58151	1.1
199.13332	1.5
279.19647	15.8
280.20010	1.2
283.26413	1.8
347.25803	6.3
365.26923	100.0
366.27188	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	365.2332
Annotation	(-)-Isomuronic acid
Peak:m/z	Relative Intensity
57.03311	1.2
59.01250	7.7
71.01244	1.3
71.49656	0.9
72.66587	0.6
83.04902	1.2
88.03912	1.2
89.02306	0.7
89.30164	0.6
91.03833	0.7
95.04900	1.4
96.95884	3.0
97.82493	0.6
106.37939	0.7
111.08042	7.5
119.18935	0.7
125.09573	0.9
137.09631	0.9
153.12656	1.1
165.12738	1.5
167.10634	1.3
177.12743	0.7
179.10681	1.8
183.52687	0.7
185.11931	0.8
187.60310	0.8
195.13841	4.2
201.08647	0.8
203.14320	0.9
209.11879	0.8
211.13303	0.9
215.06120	0.7
247.20590	3.6
263.20151	1.9
267.07611	0.8
273.18686	4.3
291.19650	100.0
292.19998	9.9
365.15176	1.5
365.19431	1.4
365.23404	3.0
366.26486	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2328
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03311	1.4
59.01252	6.8
71.01241	0.6
71.50585	0.9
71.50980	0.8
83.04869	0.9
88.40504	0.6
89.02299	1.1
91.03856	0.8
93.03342	0.7
95.04924	0.7
96.95872	1.2
98.06680	0.5
105.04665	0.5
111.08038	8.1
113.09620	0.9
119.04890	0.5
120.63923	0.5
121.10116	0.9
125.09574	1.9
137.09627	1.1
165.12708	1.4
167.10681	1.9
177.12740	2.1
178.13176	0.6
179.10620	1.3
183.34209	0.6
191.74800	0.6
195.13818	5.3
196.74524	0.7
203.14360	0.7
209.11725	2.0
231.10083	0.7
234.67776	0.6
237.22353	0.7
247.20670	3.5
263.20111	1.2
267.07678	2.8
273.18604	2.2
274.18738	0.7
289.18134	1.1
291.19644	100.0
292.19986	11.4
307.19016	1.0
353.03989	0.7
365.15543	3.5
365.19153	1.1
365.23383	5.4
366.15323	0.9
366.23495	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01780	1.3
57.03320	6.8
59.01248	40.6
68.59643	1.1
69.67506	7.7
71.01250	22.9
72.99167	2.7
73.02817	1.7
83.01266	3.2
85.02818	21.9
87.00764	1.6
89.02311	18.3
95.45670	1.1
101.02316	16.8
111.00755	5.1
113.02328	7.3
113.09585	2.4
119.03368	6.4
127.11167	2.2
129.01842	8.4
140.25317	1.1
142.06552	2.6
155.10629	4.0
157.12239	20.4
185.11766	2.9
187.13380	1.6
199.13361	2.3
203.12817	55.2
204.13129	3.7
205.03464	3.6
223.04608	2.1
241.32484	1.2
285.95779	1.4
298.04849	1.4
365.18118	100.0
366.11945	1.5
366.18463	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	365.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01743	0.5
57.03318	1.3
58.00447	0.6
59.01246	21.5
63.18645	0.5
71.01251	11.0
71.04920	1.1
71.50302	0.9
71.57191	0.6
72.99181	1.1
73.02810	1.5
76.52652	0.4
80.92461	0.4
82.26725	0.4
83.01257	1.1
85.02818	4.2
87.00747	1.1
89.02312	11.8
95.01277	0.7
96.95926	0.5
99.00768	0.7
101.02318	9.3
113.02337	4.3
119.03380	4.4
127.11185	1.3
129.01787	0.5
129.36761	0.5
137.09634	0.5
155.10692	1.0
157.12242	11.4
161.04495	0.5
164.88036	0.5
171.13680	0.5
179.05518	0.9
185.11739	1.3
187.13306	0.6
199.13321	1.3
203.12819	33.6
204.13210	2.3
245.13878	1.0
365.18115	100.0
366.18723	8.7
375.04684	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87778	0.8
59.01247	100.0
67.40418	1.0
68.20907	0.8
69.22546	2.3
69.22959	5.6
85.02824	0.9
98.20522	1.6
161.34570	0.9
306.13504	1.4
366.15506	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	365.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
56.57215	0.5
59.01249	100.0
60.01580	1.2
60.07608	0.5
69.18755	3.1
69.19188	3.1
96.95899	2.3
98.20535	1.0
131.98398	0.6
150.61703	0.5
240.79147	0.5
246.70909	0.5
365.19608	2.6
366.05209	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	2.3
57.03316	7.0
58.00470	1.0
59.01252	29.1
64.34066	0.9
70.24691	3.0
71.01247	20.6
71.04892	1.0
71.57676	0.9
72.99178	3.3
73.02816	8.4
75.00760	1.1
81.43932	0.8
83.01247	6.4
83.45798	0.9
85.02824	30.1
85.99934	1.0
86.03220	1.2
87.00751	1.6
89.02323	5.2
89.02773	0.8
95.01274	1.8
99.00748	3.1
101.02320	19.1
111.00743	7.3
113.02325	7.2
119.03366	2.4
129.01830	11.8
143.03311	0.9
146.42159	0.9
157.12202	0.8
157.28755	1.0
159.10172	3.2
161.04488	3.2
185.11746	3.6
203.12883	7.2
205.03459	7.3
221.45598	1.0
223.04506	1.4
305.15793	1.1
347.17133	14.0
348.17752	1.1
365.18143	100.0
366.18536	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	365.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01743	0.5
57.03318	1.3
58.00447	0.6
59.01246	21.5
63.18645	0.5
71.01251	11.0
71.04920	1.1
71.50302	0.9
71.57191	0.6
72.99181	1.1
73.02810	1.5
76.52652	0.4
80.92461	0.4
82.26725	0.4
83.01257	1.1
85.02818	4.2
87.00747	1.1
89.02312	11.8
95.01277	0.7
96.95926	0.5
99.00768	0.7
101.02318	9.3
113.02337	4.3
119.03380	4.4
127.11185	1.3
129.01787	0.5
129.36761	0.5
137.09634	0.5
155.10692	1.0
157.12242	11.4
161.04495	0.5
164.88036	0.5
171.13680	0.5
179.05518	0.9
185.11739	1.3
187.13306	0.6
199.13321	1.3
203.12819	33.6
204.13210	2.3
245.13878	1.0
365.18115	100.0
366.18723	8.7
375.04684	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1239
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49689	0.9
58.96363	1.0
59.01249	100.0
65.81468	1.0
66.84062	0.9
70.71340	2.6
71.01250	1.5
80.96371	1.6
82.59867	1.1
96.95888	6.3
106.02878	1.9
113.02323	1.4
126.39339	1.0
151.07565	11.3
152.99554	1.2
185.98535	1.3
365.19617	9.0
366.04910	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	365.145
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10167	2.1
55.01731	2.3
57.03325	16.8
59.01245	30.7
69.81660	2.0
70.36808	9.9
71.01254	12.1
72.99194	3.7
73.02810	4.9
78.18550	2.3
83.01258	6.9
84.02074	2.7
85.02820	100.0
89.02311	4.3
98.20499	2.7
101.02320	12.0
111.00769	29.9
113.09617	2.9
129.01830	46.6
134.04651	2.5
159.10135	15.2
161.04474	5.3
205.03438	29.5
223.04517	6.3
230.54431	2.4
255.45773	2.6
276.96884	3.0
283.98425	2.5
290.03055	2.6
365.06747	4.4
365.18051	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	365.1451
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03324	5.6
59.01251	100.0
61.94528	1.8
69.76082	10.8
71.01243	9.3
83.01260	3.1
85.02818	38.6
89.02306	2.3
96.95865	4.1
98.20663	1.8
101.02305	3.4
111.00761	10.2
122.38435	1.7
129.01822	20.5
129.05476	7.8
137.91714	1.7
159.10168	4.7
161.04550	2.1
201.03609	1.8
205.03485	13.6
223.04434	2.9
273.09775	6.5
366.04840	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	364.2856
Annotation	Melophlin P
Peak:m/z	Relative Intensity
58.02840	4.1
59.01249	2.9
71.51853	2.0
75.78896	1.0
82.02805	1.5
84.04415	11.5
85.02792	1.1
100.07553	10.7
102.05485	70.7
103.05804	1.5
106.57195	1.2
167.34827	1.2
207.39995	1.0
258.07785	1.2
261.22183	1.5
318.28085	1.6
320.29517	1.9
346.27573	1.5
364.28561	100.0
365.28931	10.8
383.72897	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.0876
Annotation	Psoralenoside
Peak:m/z	Relative Intensity
57.77935	1.1
59.01236	3.8
69.20208	6.8
69.20633	3.5
71.01246	1.4
73.02791	1.3
85.02814	2.6
101.02280	1.4
120.36562	0.9
142.60458	1.0
145.02956	1.2
154.86267	1.0
158.03636	13.7
159.04416	5.6
171.04385	2.3
173.02365	1.4
201.05502	2.0
202.02652	100.0
203.03136	7.6
213.05478	3.1
222.29689	1.0
231.06554	1.1
251.69008	1.0
275.05606	2.4
353.52460	1.2
365.08743	50.7
366.05179	1.2
366.08878	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	363.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72712	2.1
53.77345	1.8
59.01247	32.8
64.27175	1.8
65.71151	2.1
68.15460	1.8
69.27668	11.1
69.28080	7.0
71.01253	18.3
72.99184	3.3
73.02792	2.0
75.34035	1.9
85.02818	5.4
89.02323	17.1
101.02324	11.1
106.76388	2.4
107.08530	2.2
108.05093	1.9
113.02328	6.4
119.03396	8.1
138.05537	6.4
183.10179	55.2
184.10567	3.1
187.04384	1.9
201.11235	17.5
227.08215	4.3
257.12982	12.9
302.25784	2.1
342.66696	2.3
363.16608	100.0
364.16788	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	364.2493
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00988	1.3
59.01237	8.2
60.56211	1.4
60.99176	3.7
62.02407	1.3
71.01221	1.5
71.14716	3.4
72.00792	3.9
72.04411	5.6
74.02345	100.0
80.96407	3.3
83.04913	1.8
84.04422	4.0
91.36772	1.5
96.95849	2.1
104.03416	25.6
145.47946	1.5
161.09969	1.5
197.75246	1.5
200.24582	1.4
259.20728	2.4
280.19931	1.6
288.23459	2.1
290.24881	5.6
302.24850	16.2
303.25299	1.6
316.22839	17.1
334.23859	56.6
335.24228	5.4
347.12695	1.5
364.24936	70.7
365.25232	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	363.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
56.60933	0.5
57.03329	0.7
58.42040	0.5
59.01247	100.0
59.77507	0.5
60.01577	1.2
62.66314	0.6
68.99676	0.6
69.58353	3.5
71.01251	1.4
71.04513	0.6
71.04890	1.1
73.02798	1.2
85.02805	1.3
87.88641	0.6
88.45427	0.6
91.43583	0.5
93.78892	0.7
98.20496	1.2
101.02318	0.7
101.81609	0.5
103.58960	0.5
106.31979	0.5
111.00807	0.6
139.11188	1.0
158.03654	0.9
178.99887	1.0
181.01317	1.4
193.72716	0.6
200.35588	0.6
201.11392	1.4
231.11337	0.6
288.08716	0.7
325.35065	0.5
346.05594	0.6
353.90359	0.6
363.16641	1.0
363.23917	11.8
364.24146	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	100.0
60.01576	0.8
67.26296	0.5
67.96250	0.4
71.01245	0.5
78.30581	0.4
79.68981	0.5
117.56893	0.4
134.04700	0.5
139.11203	1.4
144.18217	0.4
146.03174	0.5
151.49934	0.4
183.10310	0.5
201.11226	3.2
270.88614	0.5
363.23935	1.6
387.94592	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.166
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	100.0
59.99098	0.8
69.63282	0.9
71.01253	2.9
71.04803	2.0
71.05145	0.9
73.02823	2.3
77.89941	0.8
85.02827	2.1
89.02309	1.3
94.39142	1.0
97.06485	1.1
97.88412	0.9
102.72626	0.9
113.02318	1.7
154.99763	1.2
173.00838	1.2
230.54326	1.0
363.23907	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1448
Annotation	Gibberellin A78
Peak:m/z	Relative Intensity
57.03309	3.5
59.01256	12.8
70.91784	4.2
71.01262	5.3
71.04883	4.5
73.02814	38.5
83.04888	2.9
83.24445	2.2
85.02812	6.9
87.04384	14.0
98.14140	2.4
99.04355	7.2
101.02290	3.6
129.01805	3.5
143.08577	5.1
155.08528	2.8
157.10097	6.2
159.08092	3.7
171.08031	4.5
183.11711	3.5
205.10133	3.7
209.13272	3.3
211.52466	2.5
219.11725	9.3
220.12088	3.3
221.13324	22.0
222.13579	4.3
239.14410	24.9
245.11859	16.8
257.15381	18.0
271.13162	2.9
275.16357	3.2
289.10989	4.3
289.14444	20.7
301.14389	15.1
309.38412	2.5
319.15372	4.4
363.14459	100.0
364.14859	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	363.1197
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03304	2.3
59.01247	8.9
65.99712	2.5
67.44208	0.9
69.12978	0.8
69.43983	7.1
71.01250	4.5
72.09142	0.8
73.02805	1.7
75.52426	0.8
82.02854	43.4
83.01271	5.7
85.02823	7.6
87.00738	1.3
89.02316	1.9
94.02847	2.6
98.19769	1.8
98.77056	0.9
99.00750	1.0
101.02299	3.1
106.02884	1.2
108.04452	1.0
110.02344	1.9
111.00790	1.4
111.89559	0.8
113.02357	1.8
120.04455	2.4
121.01584	1.1
122.02344	2.4
122.06005	4.4
129.01801	1.9
134.02332	1.1
136.03934	29.7
136.07574	1.1
137.04213	1.6
138.05511	1.8
139.11136	1.5
148.04030	0.8
150.32150	0.8
152.03461	1.2
155.10680	7.0
156.10992	2.4
157.11183	1.5
160.07550	2.5
161.07103	2.0
162.05402	1.3
164.03444	46.0
165.03813	2.1
176.07063	1.8
177.10194	1.7
180.02922	1.0
181.34383	0.9
182.04506	3.3
183.10161	2.7
187.06271	1.1
188.07091	1.4
194.04517	24.8
195.05318	6.4
196.06081	28.3
199.09727	1.4
200.10068	1.6
201.11476	5.2
202.08591	3.1
204.06505	1.3
205.03300	1.0
215.05823	1.6
216.06534	1.8
216.10310	1.1
217.06099	1.6
228.06708	1.0
229.06209	1.3
231.07684	3.5
242.08165	1.5
243.07759	1.2
244.09854	6.3
245.09370	4.2
257.05533	1.2
258.06323	2.4
259.07172	2.4
259.10812	3.4
269.09283	2.5
270.07758	5.7
271.07150	4.4
272.07928	2.2
280.97897	0.9
287.10358	100.0
288.10617	7.7
291.09875	2.9
313.08334	2.0
319.12961	1.9
331.09326	36.6
332.09567	3.5
363.11752	3.6
363.16357	9.7
363.23862	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	363.1085
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01231	4.2
69.81203	13.0
71.01252	2.8
85.02830	7.3
98.19755	3.3
108.02058	19.7
121.02840	11.1
122.03606	10.8
123.04403	14.3
129.01750	3.2
149.02347	38.4
150.03136	75.8
151.03497	2.2
152.01059	37.4
164.04698	5.9
165.05489	100.0
166.05768	4.8
167.03407	87.2
168.03781	3.2
180.04175	6.5
188.65114	2.7
195.06541	48.7
224.04768	2.9
256.07382	9.3
271.09781	2.9
279.78638	2.9
315.08731	36.5
320.12506	4.8
363.16992	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	363.1084
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01232	4.2
71.01232	1.8
71.50559	1.3
71.50965	1.5
85.02767	1.4
89.02315	1.3
91.01768	1.7
93.03342	3.2
95.01242	1.2
98.04722	1.1
108.02042	17.3
121.02855	5.4
122.03622	11.1
123.00752	1.6
123.04419	15.5
133.02826	1.4
138.83173	1.4
144.07663	2.0
149.02322	19.8
149.21045	1.2
150.03123	84.2
151.03540	3.5
152.01051	45.9
164.04683	3.6
165.05475	100.0
166.05794	4.7
166.99745	2.2
167.03398	73.7
168.03745	3.2
180.04150	6.5
195.06546	46.1
196.06799	2.7
215.53780	1.2
256.07254	1.5
315.08792	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	361.2356
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	19.9
60.36496	1.8
71.06894	3.3
71.07229	2.1
74.95006	1.5
84.27661	1.5
89.98910	1.4
192.25468	1.4
197.13840	1.5
279.23270	100.0
280.23636	7.2
361.23572	17.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.2019
Annotation	Cespihypotin S
Peak:m/z	Relative Intensity
55.01751	1.2
57.03317	4.1
59.01234	0.5
67.58952	0.3
70.98471	0.7
71.01250	0.6
71.04892	1.2
79.01754	0.5
81.03332	1.0
83.04887	0.5
85.06462	1.6
87.04391	0.4
88.60480	0.3
94.04131	0.3
95.04900	0.8
96.33020	0.3
97.02843	0.4
97.06458	1.0
99.32843	0.3
104.28432	0.3
107.04913	1.3
109.06493	0.4
111.04398	4.7
111.08044	0.7
121.06492	2.1
122.06767	0.3
123.04446	0.6
123.08042	28.3
124.08381	1.3
125.09586	0.5
129.23828	0.3
137.06085	0.3
141.09126	1.9
147.08044	0.9
149.09622	9.8
150.06734	0.4
150.09970	0.4
161.09645	0.4
165.09135	2.4
167.07057	1.0
167.10741	1.9
167.11931	0.4
174.10381	0.7
177.09148	0.4
180.04143	0.4
191.10742	0.4
193.12294	1.0
207.06657	0.4
221.08141	1.3
222.08838	0.8
229.15918	1.9
247.16916	0.5
249.14833	0.6
265.40063	0.3
291.15994	2.2
299.20151	2.7
315.19604	0.4
317.20999	2.4
343.19208	1.0
361.20178	100.0
362.20514	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	361.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56436	0.9
55.01774	1.5
57.03316	1.5
57.92137	0.9
58.00458	3.8
59.01250	57.8
64.09269	0.8
65.11976	0.9
66.91749	1.1
71.01254	31.6
71.06077	2.6
72.99181	3.0
73.02817	3.3
74.16741	0.9
83.01262	4.1
85.02824	8.2
85.06482	1.2
87.00741	1.7
89.02312	27.6
93.06051	1.1
95.01247	2.5
100.59637	0.8
101.02319	21.0
105.07362	0.9
113.02325	10.6
119.03388	10.5
121.02802	1.3
123.42803	0.9
131.04535	1.1
143.03429	1.2
155.97438	0.8
181.12262	10.9
182.12646	0.9
193.89508	0.9
199.13277	2.2
257.21158	1.1
299.71722	1.0
301.20270	4.9
319.21207	12.1
361.18665	100.0
361.22272	5.9
362.19101	9.5
373.49612	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01765	1.6
57.03318	1.1
57.06712	0.7
58.00455	2.2
59.01251	42.5
63.67580	0.6
69.23917	5.3
69.24321	1.3
71.01250	30.0
71.04884	1.0
72.99178	2.6
73.02810	2.9
77.28249	0.9
83.01261	2.3
85.02828	8.1
89.02316	15.9
92.73717	0.6
93.03326	1.0
94.71336	0.8
95.01260	1.9
99.00756	1.4
101.02322	16.0
109.02825	2.8
113.02322	7.1
119.03397	7.0
121.02843	8.5
122.03626	6.7
123.04407	1.0
135.04326	0.9
137.02333	1.1
146.03688	0.7
147.04420	4.3
153.12743	1.8
154.02635	1.4
161.05884	0.9
164.04710	0.8
165.05476	10.0
179.07033	6.2
181.12219	5.7
181.29524	0.7
199.13298	9.3
205.99127	0.7
301.20126	0.8
319.21042	2.0
343.17419	2.0
346.14059	3.4
361.18976	100.0
362.19235	10.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01745	0.9
56.66113	0.5
57.03323	1.5
57.94778	0.5
58.00458	0.7
59.00960	0.8
59.01252	14.9
69.28806	1.0
69.29214	4.2
71.01254	15.7
71.04890	1.4
72.00377	0.4
72.99185	1.6
73.02808	2.7
76.17952	0.5
83.01250	2.9
85.02821	6.2
87.00756	1.1
89.02305	3.2
95.01244	1.2
95.76792	0.5
97.37646	0.5
99.00754	1.2
101.02327	6.0
110.05059	0.5
113.02331	3.0
119.03410	0.6
121.02865	0.8
125.02379	0.6
129.01801	0.6
129.89578	0.5
133.01485	1.2
143.10696	0.6
143.46619	0.5
148.03938	2.0
150.04146	2.5
151.82007	0.6
153.12750	1.4
154.03192	0.8
181.12233	2.1
182.02730	1.3
199.13333	15.0
200.13641	0.9
211.13364	1.4
227.12865	0.6
235.13458	3.1
241.14456	0.9
247.13545	0.6
253.14426	7.0
264.54562	0.5
271.15442	3.1
283.15543	0.9
301.20114	3.4
302.20523	0.8
307.15524	0.7
318.08047	5.4
319.21225	7.4
320.21387	0.6
338.63147	0.5
339.90988	0.5
343.17615	2.6
361.18649	100.0
361.22174	4.3
362.19009	9.1
362.23239	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1656
Annotation	Sauriol A
Peak:m/z	Relative Intensity
51.32376	0.3
59.01237	0.7
59.73838	0.2
85.02774	0.4
93.03339	3.9
95.04896	0.4
108.02029	1.3
109.02841	8.5
110.03165	0.4
118.98492	0.3
119.04899	1.1
121.02841	31.7
122.03639	19.2
123.00747	0.4
123.04462	3.2
124.01549	2.6
125.02311	0.4
129.03357	1.5
134.03632	1.2
135.04401	3.2
136.01506	0.7
136.05229	1.7
137.02315	3.3
137.05930	0.3
138.03156	0.3
146.03656	1.7
147.04411	10.5
148.05086	1.2
149.05954	2.1
150.03093	0.7
154.02620	3.3
159.04414	0.6
160.05177	0.6
161.05977	4.8
162.06578	0.8
163.03896	0.7
164.04724	1.2
165.05481	36.1
166.05818	2.0
168.04185	0.7
173.06003	0.4
173.12526	0.3
175.07484	0.6
178.06238	0.9
179.07057	12.7
180.07358	0.5
190.06281	0.5
191.07059	1.3
205.08505	0.5
208.07329	0.7
209.08133	1.2
209.99654	0.3
223.09689	1.5
283.09824	0.3
285.11221	0.5
298.12073	0.7
301.10861	0.7
301.20135	0.5
303.87704	0.3
313.14423	1.3
315.12433	3.8
316.12927	0.9
319.21194	1.1
331.15265	0.4
340.97653	0.3
345.13385	0.4
346.09952	0.6
346.14160	11.8
347.14545	1.2
361.16534	100.0
362.16867	11.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1505
Annotation	Gibboside
Peak:m/z	Relative Intensity
57.03334	1.0
57.78157	0.6
58.00476	1.1
59.01248	10.0
69.58256	3.9
71.01258	4.2
71.04897	0.9
73.02827	1.9
83.01279	0.7
83.04916	1.7
85.02833	1.7
86.34177	0.6
89.02322	2.6
101.02329	2.0
111.08070	0.7
113.02338	2.8
119.03403	0.6
123.08067	0.5
137.09631	9.9
139.11203	0.5
142.15137	0.5
143.10721	0.8
155.10684	96.5
156.10999	4.1
161.04489	0.6
167.10803	0.7
169.12263	2.8
171.10295	1.0
179.10715	1.2
181.08583	1.7
197.11821	0.9
199.09692	100.0
200.10045	7.2
201.14827	1.0
223.09720	1.6
241.10777	2.6
301.20282	5.5
319.21268	11.5
320.21381	0.8
361.14740	1.3
361.18576	1.5
361.22333	11.7
362.22745	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1656
Annotation	Thyrotropin releasing hormone
Peak:m/z	Relative Intensity
57.03322	1.4
59.01246	1.2
59.87608	0.4
65.73618	0.4
70.08130	1.0
70.08526	0.9
71.04895	1.1
73.17791	0.3
83.04884	4.4
90.37801	0.4
97.06438	0.8
98.20504	0.5
101.02404	0.5
107.04893	1.2
109.06474	1.2
116.06402	0.4
119.08550	0.6
133.06522	2.0
146.07265	0.7
153.53606	0.4
175.11206	1.1
177.12804	1.6
203.10677	1.6
203.14348	2.0
229.12288	3.0
231.13939	0.5
255.17542	2.4
269.15384	0.5
271.17087	0.5
273.18591	8.6
274.19052	0.9
284.73590	0.5
289.18338	0.6
297.15317	0.5
299.16382	0.8
317.17615	6.2
318.18082	0.8
343.15457	1.3
361.16550	100.0
362.16864	11.8
383.90262	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03317	0.6
59.01251	4.8
65.40200	0.4
70.41668	1.2
70.42007	0.4
70.89280	0.3
71.01241	3.4
72.99178	1.3
73.02814	3.2
83.01263	0.8
85.02829	2.2
87.00768	1.7
89.02312	0.8
94.25610	0.4
95.04935	0.4
99.00794	0.4
101.02309	1.8
109.02813	0.4
111.00799	0.4
113.02332	0.8
125.02390	0.6
135.08032	1.1
137.09631	8.0
138.05511	4.5
138.09952	0.7
138.43271	0.4
139.05898	2.6
151.22597	0.4
155.10687	100.0
156.11034	4.4
161.04491	1.5
179.05492	1.7
181.08614	1.3
199.09692	64.2
199.13281	2.0
200.10045	4.0
285.08832	0.9
315.15979	0.4
319.14001	0.5
361.09531	1.1
361.14920	24.0
361.18768	8.8
362.15256	2.4
362.19083	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17205	1.1
57.03312	1.8
59.01244	6.1
63.66799	1.0
66.57460	1.0
68.31229	1.1
68.64865	1.1
71.01252	4.0
71.50439	2.3
72.99175	1.2
73.02824	4.2
80.23049	1.3
82.60089	1.0
83.01279	1.4
85.02837	4.9
87.00742	2.1
94.06592	1.1
98.20084	1.5
101.18217	1.0
110.02420	1.3
111.78890	1.1
113.02284	1.4
134.05975	1.3
137.09621	7.3
155.10681	100.0
156.11002	4.6
156.34431	1.0
161.04457	1.7
162.05522	4.2
171.02582	1.0
199.09691	66.7
200.10051	4.4
257.09378	1.4
281.06729	2.7
285.12283	1.9
317.15106	3.2
319.14581	1.1
329.11002	1.5
361.10049	2.1
361.14957	30.8
361.18729	3.5
362.15451	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	361.1291
Annotation	Gibberellin A21
Peak:m/z	Relative Intensity
50.60674	3.2
59.01261	7.8
71.01302	5.1
71.51469	5.8
72.97321	3.9
79.05396	7.6
83.04924	5.2
88.88609	3.4
110.05937	3.8
111.08038	3.6
118.06511	16.0
133.06456	5.0
137.09634	4.1
145.06517	5.8
155.10657	14.5
161.06007	6.9
163.07538	5.9
187.07549	3.6
199.09645	9.4
211.11218	12.0
229.12231	5.0
235.80013	4.0
237.12866	5.4
255.13852	88.9
255.16347	6.7
256.14215	8.2
259.02292	3.7
273.12207	6.5
273.14978	100.0
274.15356	9.9
299.12918	31.5
313.10895	10.0
317.13904	17.1
328.00812	3.9
361.12643	18.7
361.22336	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	361.114
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	4.7
57.03323	19.1
59.01258	5.9
65.28658	1.1
68.99657	1.6
71.01243	9.8
71.50021	2.2
72.99170	2.1
73.02828	3.4
75.00752	1.5
78.89613	1.2
81.03310	2.8
83.01256	10.7
84.02036	2.2
85.02821	100.0
89.02308	1.4
95.04908	1.4
97.02824	1.8
99.00752	2.7
99.04394	1.3
101.02329	5.4
106.85804	1.3
109.02842	2.4
111.00756	30.7
111.01497	2.2
111.08037	4.9
118.56752	1.1
123.04357	1.9
125.02330	2.8
129.01822	46.3
133.02870	1.2
137.02345	2.3
143.03427	1.8
149.02344	1.5
153.01808	1.7
155.07065	6.5
155.10687	2.4
161.04448	3.7
167.03410	4.7
177.01877	1.7
181.08582	1.6
187.02312	1.3
192.88808	1.1
193.01347	2.8
194.01663	1.5
199.09676	2.4
205.03476	22.5
205.27844	1.4
206.03752	1.6
223.02501	2.0
223.04517	8.1
236.25847	1.2
251.01997	2.8
285.04300	1.7
361.05197	2.4
361.11176	2.3
361.15115	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	360.1299
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	5.5
65.81203	0.4
69.20229	3.9
69.20662	0.6
71.01249	1.9
72.99197	0.4
73.02811	1.6
81.82664	0.4
85.02822	1.1
87.00738	0.5
87.12389	0.4
93.55960	0.5
101.02328	1.2
123.03129	5.8
132.04477	0.5
137.04636	0.5
137.09593	2.3
138.05502	100.0
139.05849	3.9
152.07111	1.2
155.10683	31.5
156.20120	0.5
161.04506	1.3
179.05637	0.4
199.09691	23.9
282.09842	1.9
285.08691	0.9
300.10974	1.0
361.09311	1.4
361.15015	8.8
361.18802	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	361.114
Annotation	Unknow
Peak:m/z	Relative Intensity
53.38201	0.8
55.01764	4.8
57.03323	17.0
59.01254	5.8
59.58065	0.7
61.98717	1.2
67.01756	0.9
71.01253	8.6
72.99171	1.2
73.02818	2.5
75.00745	1.5
79.95614	1.4
83.01263	8.6
83.04906	1.3
84.02039	2.5
85.02824	100.0
86.03141	1.2
87.00753	1.4
89.02291	1.6
94.07350	0.9
101.02322	6.0
107.05914	0.8
111.00765	26.1
111.08044	4.5
119.03445	1.2
129.01831	43.4
130.02141	1.6
137.09590	0.9
140.07069	1.0
143.64793	0.9
155.07034	5.5
155.10712	3.0
161.04472	3.1
187.02386	1.3
191.65933	0.8
196.95728	1.2
199.09639	1.5
205.03461	24.9
206.03790	1.5
206.30569	0.8
214.96822	2.1
223.04562	8.0
356.54544	0.9
361.11362	1.8
361.15051	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	359.2225
Annotation	Beilschmiedic acid B
Peak:m/z	Relative Intensity
50.28765	0.3
59.01247	3.7
62.50756	0.3
67.17224	0.4
69.52251	0.5
69.52663	1.9
71.04885	1.0
75.89848	0.3
79.01762	0.7
95.04906	0.4
98.19769	0.3
99.08023	0.9
101.06007	0.4
122.03635	0.6
123.04438	0.8
123.07958	0.3
125.05974	6.8
137.09584	2.5
138.03079	1.2
147.04443	0.5
147.08026	0.3
149.02362	0.5
151.03914	4.7
161.09573	0.4
163.03908	1.0
164.04637	1.6
165.01859	0.6
166.02580	2.8
166.79387	0.3
177.01855	0.9
177.05478	0.7
177.12796	1.6
179.03339	0.5
179.10649	1.0
180.04179	1.2
181.97777	0.4
187.07616	0.6
189.09209	0.5
190.02745	0.7
190.38499	0.3
191.03401	1.4
191.07092	0.6
191.10619	0.5
192.04097	1.1
201.12735	0.5
205.08676	1.0
207.06541	0.6
207.10237	0.6
207.17441	0.5
217.08626	1.3
219.06668	0.4
219.10193	0.6
220.10905	0.6
222.08920	3.0
223.09615	0.6
231.13969	0.4
231.17554	1.4
233.08151	6.9
233.15486	1.2
234.08437	0.4
235.09714	17.2
236.10294	1.2
243.10133	0.4
244.14673	0.4
246.26546	0.4
247.09785	4.4
247.16963	0.5
248.10469	1.4
249.11078	0.6
259.20657	0.8
275.12930	1.9
275.16553	6.1
276.16837	0.6
277.21710	15.0
278.22064	1.5
301.14426	0.6
313.21756	2.1
315.23312	6.7
316.23474	0.6
341.21201	1.4
359.22253	100.0
360.22610	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	359.2217
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92030	0.7
51.86245	0.7
58.67004	0.7
59.00958	1.4
59.01244	22.3
60.72910	0.8
71.04887	0.9
71.11974	0.8
72.94223	0.8
75.64277	0.8
98.19754	1.4
116.55668	0.9
123.04394	1.1
125.05976	4.0
137.09593	2.4
137.83430	0.8
138.03169	1.1
151.03877	4.1
164.04700	2.1
166.02571	2.4
177.01726	0.9
177.12781	1.0
179.10715	1.5
191.03368	0.9
192.04202	1.0
205.08490	1.1
222.08923	2.6
231.17381	1.3
233.08073	5.0
233.15341	1.1
235.09708	13.2
236.10178	2.1
247.09688	3.0
248.10411	1.7
271.71246	0.9
275.12973	1.6
275.16476	4.5
276.16751	0.9
277.21710	85.4
278.22107	8.2
315.23209	5.4
340.25113	0.8
341.21271	1.4
359.22211	100.0
360.22586	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	359.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
54.70341	1.3
55.19638	1.2
57.03313	3.0
59.01251	24.5
61.98705	1.5
69.75739	4.3
69.76148	3.1
70.49529	1.5
71.01257	2.1
72.99190	1.3
73.02800	10.7
82.36494	1.3
85.02819	5.5
87.04395	3.6
92.24108	1.4
97.06487	2.0
109.02798	1.6
109.06430	1.6
111.08043	1.8
117.60402	1.4
149.02309	1.5
153.09105	3.4
159.10121	2.8
171.10181	2.5
173.11714	6.1
179.03412	1.5
181.12146	1.5
197.11797	4.7
278.69543	1.5
285.13425	1.7
299.05643	2.3
299.18594	22.4
300.18918	2.7
314.07959	3.3
317.19650	100.0
318.20041	9.6
329.10159	8.8
359.17044	1.8
359.20761	31.1
360.16528	1.8
360.20966	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	359.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03276	2.2
59.01196	34.5
59.01521	2.3
64.85948	0.6
68.31345	0.7
69.03300	0.9
70.39399	2.0
71.01195	2.4
71.04897	3.8
73.02818	10.2
81.03250	2.2
83.01202	0.9
83.04884	3.3
84.02010	0.7
85.02753	2.8
85.06419	1.6
87.04388	10.6
97.06460	4.6
99.04328	3.0
101.05951	8.3
109.06406	2.8
115.07475	1.5
125.09543	2.1
125.14674	0.7
127.07454	2.2
137.05873	0.9
145.08609	10.3
169.12219	1.0
171.10181	3.9
172.10591	0.7
184.44724	0.7
197.11777	5.2
201.16493	0.8
206.54482	0.7
236.07140	0.8
253.17975	1.5
255.19661	0.9
271.19168	0.9
299.18607	23.0
300.18939	1.7
317.19666	100.0
318.20044	9.2
329.13937	0.8
329.81186	0.7
359.20770	41.0
360.21072	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	359.1712
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03313	4.5
59.01252	25.9
61.98692	3.3
70.19916	8.9
71.01244	7.0
72.99172	5.8
75.00739	17.9
85.02821	12.4
87.00749	8.1
95.04852	3.2
96.95871	3.1
100.55138	2.0
101.02295	2.2
105.01813	100.0
105.69385	1.8
111.00713	3.0
124.01584	2.0
125.36644	1.9
129.01819	5.7
137.06015	4.2
149.89381	1.9
153.09116	2.4
157.99039	2.1
166.85144	1.9
171.10156	2.5
179.14334	3.3
181.12283	2.4
189.12787	2.2
191.14328	5.4
192.14542	2.0
193.15851	2.6
195.13832	5.5
205.03452	4.0
209.15407	4.1
211.13336	8.3
213.14886	6.1
214.03232	3.1
219.13829	4.3
225.14899	11.2
227.12825	2.7
233.11787	1.9
235.13370	34.2
236.13666	2.5
237.14867	6.0
239.12843	4.8
241.14368	5.6
243.15883	2.1
247.13455	2.8
249.14891	6.6
251.12863	5.6
253.14435	61.4
254.14708	3.7
255.15974	6.4
257.13904	23.6
261.14908	5.0
263.12881	10.2
267.16028	5.3
269.13980	11.2
269.17493	8.0
271.15436	2.5
279.15958	6.9
281.13956	21.1
283.15417	3.0
287.15173	4.8
299.05048	2.3
299.14868	4.1
301.16492	6.4
311.14890	4.5
312.15314	2.3
323.14908	5.0
341.15961	5.5
356.64084	2.2
359.07391	3.3
359.16977	4.2
359.20795	8.5
359.28043	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	359.1712
Annotation	Unknow
Peak:m/z	Relative Intensity
55.97247	1.0
57.03321	5.0
58.00463	3.5
59.01239	7.3
61.58486	1.1
63.07680	1.2
65.61040	1.5
69.03316	1.7
69.48070	7.9
71.01247	3.3
72.99165	5.6
73.02805	2.0
75.00709	1.3
82.83628	1.1
84.02065	1.2
85.02819	19.9
87.00761	7.0
99.86652	1.1
111.00732	1.8
111.08078	1.7
113.02349	1.5
115.00249	1.6
122.03644	1.3
129.01855	1.5
130.76402	1.4
141.71057	1.1
147.02832	1.7
165.12744	1.1
167.14319	1.8
169.12215	1.6
169.15799	1.3
171.10179	5.2
179.14310	2.9
183.13814	4.5
191.14264	1.2
193.12259	1.5
195.13840	5.5
197.11754	17.8
205.12309	2.7
211.13341	43.7
212.13672	3.5
213.14896	33.4
214.15259	2.2
221.11794	1.9
223.13373	11.7
233.11778	3.3
235.13408	3.4
239.12825	2.1
241.14418	100.0
242.14789	6.6
243.15889	2.1
247.13333	1.6
251.01753	1.2
251.12863	29.9
252.13245	3.2
253.10075	1.3
253.14360	10.3
259.13422	11.0
263.12833	2.5
265.14456	2.5
269.13925	3.8
270.14343	1.5
277.14462	13.9
278.14581	1.4
285.13461	6.7
293.14206	1.6
299.18579	4.4
301.52100	1.2
305.13904	5.0
315.14304	1.6
317.19769	7.7
323.14978	4.5
359.08698	2.0
359.12982	2.3
359.17056	15.8
359.20816	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	359.1499
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67983	0.8
59.01238	4.1
61.98713	0.9
70.78394	1.9
70.78713	1.1
79.63985	0.9
87.04375	0.8
89.49093	0.9
93.03331	1.5
109.02814	1.6
121.02843	8.1
122.03645	2.1
123.00751	1.6
123.04463	1.1
124.01529	1.0
131.04895	1.1
133.85022	0.9
135.57744	0.8
136.01576	1.6
137.02333	5.2
137.05983	1.2
138.03098	1.3
143.04913	1.4
146.03583	1.3
147.04414	6.1
149.02338	2.7
150.03134	9.2
151.03862	1.1
158.03615	6.6
159.03174	1.4
159.04430	18.6
160.05203	44.1
161.05992	16.2
162.06450	1.4
163.03943	7.7
164.04706	7.8
173.05995	5.0
175.03868	2.2
175.07558	31.6
176.04706	1.7
176.07858	2.6
177.05479	10.7
178.06233	7.1
189.05479	1.4
190.06306	1.6
191.07065	1.5
193.04912	1.5
193.08614	3.8
207.06453	1.1
208.07271	0.9
299.18634	1.7
317.19629	4.9
329.13931	100.0
330.14246	10.5
359.11243	2.8
359.15067	2.8
359.20749	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	359.1501
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44820	0.7
59.01250	3.7
61.26855	0.7
62.96140	0.7
69.80741	1.9
69.81154	2.7
70.80006	1.0
71.01250	1.2
74.13538	0.9
80.24136	0.8
83.04904	1.4
85.02794	1.7
102.35259	0.9
121.02859	1.3
122.03643	1.1
135.04414	2.1
137.05952	1.0
145.02844	1.1
146.03630	56.1
147.03999	2.1
161.05992	17.8
162.06219	1.1
163.03914	1.7
164.04695	40.0
165.05013	2.4
176.04695	1.8
179.07056	100.0
180.07359	5.4
181.89574	0.9
191.07056	1.6
223.09723	1.5
287.74472	0.9
299.18652	1.1
311.08704	0.8
317.19601	5.4
329.13861	1.5
359.07465	1.0
359.14899	1.8
359.20633	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	359.1501
Annotation	Piperphilippinin VI
Peak:m/z	Relative Intensity
53.58559	0.9
54.79176	0.9
57.03290	0.9
59.01250	5.2
69.63660	0.9
70.53363	3.0
70.53719	2.0
73.02266	1.0
121.02815	1.6
122.03587	1.5
135.04381	1.9
143.04980	1.5
145.02866	3.0
146.03618	3.8
147.04398	4.6
148.05185	7.2
149.05997	3.2
150.03101	2.5
158.03603	2.4
159.04419	7.9
160.05215	14.1
161.05988	18.0
162.03140	9.8
162.06746	6.6
163.03912	4.3
172.05211	77.8
173.05923	10.6
174.03110	9.2
175.03922	2.5
175.07556	9.3
176.04741	1.5
177.05495	13.9
178.06261	11.9
180.04163	2.7
187.07565	75.4
188.07893	5.3
189.05479	7.2
190.06284	31.1
191.07059	19.3
192.04228	4.5
192.07610	1.1
193.04980	7.4
194.05734	1.3
198.86490	1.2
203.07060	1.0
204.07860	5.9
205.08640	35.0
206.08995	2.2
207.06572	6.0
210.05316	6.7
221.08165	1.5
240.06389	1.4
247.07846	1.0
247.53876	1.3
275.07007	1.6
281.08237	4.7
284.10651	1.3
293.08316	4.5
294.08875	1.5
296.10614	5.6
297.11307	1.9
299.12903	7.3
299.18524	2.2
308.10617	3.9
311.09299	3.4
311.12900	11.0
312.13379	1.3
314.11639	1.2
317.19608	7.7
323.13000	7.4
324.16940	1.3
325.10672	1.6
326.11697	1.2
329.13940	51.0
330.14328	4.4
341.13913	100.0
342.14249	10.0
358.62234	1.1
359.15039	38.5
359.20459	2.9
360.15295	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1347
Annotation	Junipediol A 8-glucoside
Peak:m/z	Relative Intensity
52.83246	1.1
53.50526	1.4
53.99601	1.1
54.11101	1.4
54.51056	1.3
59.01247	56.7
67.92953	1.2
69.42506	10.8
71.01251	24.6
72.99180	1.8
73.02819	25.4
83.01252	6.4
84.02042	1.7
85.02814	4.1
87.00741	2.8
89.02309	3.9
98.20381	4.3
101.02326	17.3
109.06474	17.5
113.02325	4.7
125.02308	1.5
131.03438	2.0
134.17671	1.3
137.05927	8.0
138.05492	3.1
139.07587	2.1
151.07573	1.6
153.05461	1.4
155.07039	67.8
156.07384	4.4
161.04482	1.9
174.12811	1.1
178.99490	1.2
197.08127	5.9
273.06067	1.2
299.11386	3.1
316.50568	1.4
317.12372	13.9
359.13446	100.0
360.13858	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	359.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07563	0.3
55.01749	0.8
57.03056	0.4
57.03320	6.6
59.01249	4.6
68.99683	0.4
69.61786	1.5
69.62191	0.8
71.01247	1.5
71.04890	0.5
72.99158	0.5
73.02814	0.7
75.00730	0.4
81.03331	0.4
83.01245	1.1
83.04891	0.4
84.02027	0.8
85.02819	42.0
86.03175	0.6
87.00755	0.6
97.06445	0.5
98.19840	0.5
99.04383	0.4
100.64151	0.3
101.05974	0.5
103.00250	0.6
108.78418	0.3
111.00745	1.8
111.04400	0.4
111.96975	0.3
127.11148	0.7
129.01814	3.5
141.12852	0.4
147.02899	5.5
167.10664	1.1
171.10199	3.1
173.00819	0.9
185.11714	1.6
191.01895	11.7
192.37506	0.4
201.11227	2.4
210.02151	0.4
221.11749	0.6
223.13023	0.4
235.13286	0.3
239.12798	2.1
257.14017	0.7
265.14536	0.4
299.26031	0.4
305.17657	0.5
309.24368	0.4
311.22479	0.4
311.25925	1.2
313.23843	6.5
314.24225	0.4
341.19803	1.4
341.26840	1.3
357.26334	1.1
359.20673	3.6
359.28000	100.0
360.28394	8.5
371.20233	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1345
Annotation	Semperoside
Peak:m/z	Relative Intensity
51.04677	1.0
55.55578	0.8
56.97143	1.1
58.34123	0.8
59.01237	2.4
63.61125	0.9
70.63245	2.7
71.01247	1.0
73.45241	0.8
85.02818	2.0
87.00766	1.4
107.13122	0.9
109.02798	1.3
111.04368	1.1
135.08025	1.6
140.01057	3.6
153.09109	100.0
154.09470	4.4
161.04480	1.4
179.05533	2.0
179.06911	1.6
197.08124	50.1
198.08450	2.5
238.96605	1.0
246.73134	0.9
297.04755	1.0
359.06900	1.4
359.13486	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	358.2962
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	100.0
59.74886	2.3
61.03095	2.4
63.28249	2.6
71.51112	3.6
83.78671	2.6
89.84334	2.7
96.09131	2.8
96.22176	2.2
101.60360	3.3
103.47516	2.8
104.36336	3.5
137.06035	2.8
203.03651	3.1
276.02911	2.7
283.57309	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	359.1247
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03328	1.1
59.00842	0.8
59.00976	0.7
59.01234	5.4
61.56741	1.2
68.14080	0.9
68.99684	20.4
70.98564	1.1
70.98885	1.6
71.01241	2.1
72.99161	1.3
74.92250	1.0
78.00687	0.9
80.04922	28.7
85.02815	3.1
87.98566	0.9
89.58475	0.9
104.04940	2.0
106.06496	1.2
107.03651	1.8
122.05998	19.8
123.04403	1.1
132.04442	100.0
133.04803	4.1
134.06116	1.9
144.04488	1.8
150.05513	37.5
151.05852	2.3
152.07074	60.6
153.07401	2.3
153.09138	7.2
154.01372	2.0
162.05507	2.5
165.01929	1.2
197.08122	4.1
207.08032	1.8
221.00746	1.2
225.09129	2.4
245.12729	1.1
269.08249	2.3
287.09232	3.2
297.12436	66.2
298.12723	5.9
305.13950	1.0
315.13492	42.8
316.13812	3.1
317.19769	1.9
359.07324	2.4
359.13144	2.7
359.20883	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	358.2518
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97631	45.9
55.82355	43.5
58.98047	52.1
59.01268	59.7
65.39941	40.7
67.91203	44.9
71.43195	100.0
89.65626	48.6
138.11977	51.4
202.67239	46.0
242.90027	52.8
300.97610	48.7
363.40942	46.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.2646
Annotation	16,17,18,20-Tetrahydroxy-10,11,14,15-tetrahydronerylgeraniol
Peak:m/z	Relative Intensity
51.03419	0.7
56.98968	0.7
57.03306	0.9
58.76059	0.7
59.01241	3.2
61.02785	0.7
63.36488	0.8
63.38197	0.7
69.03330	1.5
71.49969	0.9
74.15232	0.7
77.53013	0.7
83.04916	0.9
97.06465	1.1
99.08025	10.1
107.04942	1.0
111.31087	0.8
121.02849	3.8
125.09606	1.4
129.09033	0.8
133.97794	0.7
139.11168	2.1
162.20358	0.8
165.12729	0.7
171.10170	10.8
175.11137	0.9
178.23103	1.0
183.13875	2.3
185.11774	2.6
193.12271	11.9
211.11490	1.2
211.13330	13.2
212.13612	0.8
229.10759	0.9
229.14384	2.0
239.16472	20.3
239.18762	1.5
248.54297	0.7
257.17542	6.7
293.21167	2.2
321.24698	0.8
339.25378	1.1
357.06143	3.7
357.26437	100.0
358.26712	12.8
373.89093	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.2283
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99949	1.5
52.88760	1.3
57.03329	3.6
58.68280	1.2
59.01249	8.4
63.17797	1.3
69.03329	3.0
69.44951	9.7
71.01247	2.6
71.04885	2.7
83.01250	7.2
83.04903	5.2
84.02048	6.5
85.02825	3.0
85.06471	1.9
87.04391	4.5
93.03349	1.6
95.04892	7.8
97.06478	5.8
111.04388	2.3
121.02898	1.8
123.08056	1.7
125.09650	6.5
133.02887	1.8
135.04489	1.4
137.09688	1.5
163.11140	2.7
165.12781	2.0
171.10178	23.1
183.13762	1.7
185.11758	1.5
187.09705	1.5
193.12289	14.9
199.13344	1.7
209.11749	3.3
211.13380	4.1
219.13864	2.3
225.14905	21.6
226.15356	1.6
237.14944	2.7
243.15970	10.3
249.14964	2.1
251.16417	8.1
269.17545	19.5
270.18338	1.5
289.17944	1.5
295.19412	1.3
297.04095	1.5
312.10162	1.5
321.20679	2.4
327.25562	2.5
339.18085	1.4
339.21811	2.4
357.06152	4.6
357.13385	5.7
357.22791	100.0
357.26614	18.2
358.23138	9.5
358.26926	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	357.2281
Annotation	oscr#21
Peak:m/z	Relative Intensity
55.87711	1.0
57.03318	3.6
58.43725	0.8
59.01242	7.3
69.03320	3.9
69.45995	5.7
71.01247	2.2
71.04883	1.4
73.02798	1.0
75.00705	1.1
83.04887	3.7
84.02035	9.2
85.02809	4.2
85.06455	2.3
87.04382	2.7
90.71310	0.8
95.04903	10.1
97.06477	7.5
99.04398	1.2
109.06424	1.0
111.04411	2.1
113.05960	3.3
120.27895	1.0
121.02861	2.2
121.06471	1.0
123.08032	1.4
125.09619	5.4
135.08058	1.1
137.09615	1.9
147.90286	0.9
151.03857	1.0
163.11180	1.2
165.12669	1.4
166.91704	1.0
170.09198	0.9
171.10185	21.2
172.10555	1.2
175.11258	2.0
177.12708	0.9
185.11696	1.9
193.12263	22.5
195.10213	0.9
197.15427	1.2
199.13376	1.1
209.11784	2.3
211.13290	6.4
219.13855	2.3
221.15495	0.9
225.14891	25.9
226.15239	2.1
226.50737	0.9
235.13094	1.1
237.14890	2.0
239.16475	13.3
240.16919	1.6
241.18088	6.4
243.15985	16.6
244.16338	1.7
249.14821	1.2
251.16455	4.6
253.14423	1.4
265.14359	5.1
269.17621	6.7
269.20532	1.3
281.17645	1.3
283.15442	1.5
285.03882	1.3
289.18179	2.5
297.04141	1.0
303.12125	1.0
314.69531	0.9
321.20633	1.0
327.25421	3.8
339.21576	2.9
357.06055	3.6
357.22733	100.0
357.26584	25.1
358.23047	11.3
358.26855	2.3
365.04199	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	25.8
60.99144	0.4
61.98695	0.6
71.01250	1.3
71.51585	0.6
73.02835	0.4
85.02780	0.4
87.04388	0.4
101.02315	0.5
121.02843	100.0
122.03181	4.5
132.04468	0.6
135.04364	0.5
136.01529	0.5
136.07568	1.0
146.03645	0.5
151.03908	0.4
161.04543	0.4
165.01843	1.4
177.01892	0.7
180.05739	1.3
181.06496	6.6
182.06844	0.7
199.07674	0.4
211.03976	0.5
225.05525	6.1
226.05858	0.5
269.08334	0.6
299.05670	1.1
313.07166	6.2
314.07574	1.1
315.18124	1.1
327.05112	2.2
342.07434	1.1
357.06104	25.4
357.09811	2.2
357.22711	0.4
357.26523	1.7
358.06537	3.8
358.18283	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1454
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	1.8
59.01251	3.3
64.02704	0.6
71.01260	1.6
71.04903	0.9
71.09905	0.5
71.49989	0.6
73.02837	0.9
80.04930	2.0
83.01287	0.7
85.02840	0.9
87.00751	1.3
99.00741	0.7
101.02319	3.2
104.04945	8.5
107.03697	0.6
108.04433	7.3
108.08080	4.5
113.06112	0.5
119.03422	0.5
121.02840	82.9
121.05181	4.3
122.03174	3.4
130.10234	0.5
132.04446	52.1
133.02757	0.7
133.04784	2.3
135.03206	0.6
136.07574	100.0
137.07915	4.8
139.11241	0.8
144.04460	1.6
148.03957	8.6
152.03510	0.6
153.04214	1.6
165.01813	1.2
165.12744	1.4
171.10182	0.7
176.03455	8.6
179.67632	0.5
180.05707	0.9
181.06467	4.6
188.03409	1.6
190.05014	0.9
199.13399	0.6
205.59978	0.6
208.06094	7.5
209.11780	0.8
220.06036	1.3
221.11705	0.9
225.05525	5.1
239.12875	0.7
241.14278	1.5
253.13345	3.9
257.12961	4.3
269.13806	1.5
281.12943	20.1
282.13263	1.9
293.13879	4.0
297.03937	0.6
297.12265	3.5
298.12671	0.6
303.10202	0.6
311.22296	2.7
313.07132	6.7
314.07474	0.7
325.11908	59.6
326.12360	5.8
339.25803	0.5
355.76474	0.6
357.06131	24.6
357.14478	26.3
357.23068	2.8
357.26434	49.6
358.06525	3.0
358.14886	2.5
358.26706	3.9
366.29776	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51487	0.5
55.01779	0.5
59.01248	100.0
60.01588	0.6
67.40574	0.4
69.65314	3.2
71.01254	6.9
73.02832	2.7
77.07793	0.4
83.01266	0.7
84.30029	0.5
85.02825	3.5
87.56841	0.4
89.02325	0.9
95.01293	0.6
98.19743	0.5
99.00778	1.1
101.02328	2.6
108.02094	0.4
113.02299	2.1
146.03651	0.7
158.27888	0.5
159.02922	0.7
161.04445	2.8
177.05479	2.1
178.06308	1.2
211.13354	0.8
212.13768	1.3
214.60994	0.5
221.08229	2.0
224.06802	0.7
315.18228	1.4
357.09784	0.5
357.13629	1.8
357.22922	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1344
Annotation	Prestegane B
Peak:m/z	Relative Intensity
59.01242	6.2
59.96040	2.0
60.16559	1.8
63.37955	1.5
71.01248	1.9
71.21916	3.6
79.46400	1.7
83.51125	1.7
85.02846	3.4
108.02041	27.3
109.02875	2.7
121.02841	5.4
121.06522	1.8
122.03679	2.1
122.87231	1.6
123.04407	30.5
129.52148	1.6
133.02856	17.3
134.03635	5.2
135.04404	2.8
137.02327	3.3
138.03123	100.0
139.03513	2.3
145.02852	4.0
146.03586	5.0
147.04439	4.4
148.05212	12.4
149.02353	5.7
149.06056	8.8
150.03172	10.1
151.00272	2.6
153.05484	50.9
154.05786	2.5
158.03636	5.4
159.04420	16.2
160.05229	26.1
161.02351	4.3
161.06001	5.9
162.03114	5.3
163.00262	6.4
163.03815	2.5
164.04639	2.5
165.01761	2.4
165.05463	4.5
173.06049	2.5
174.03116	10.7
174.06972	1.7
175.03931	4.8
175.07544	6.0
176.04688	7.7
177.02040	2.9
177.05486	92.4
178.06259	33.0
180.04163	2.5
187.03885	16.0
188.04704	21.2
191.07079	26.1
192.04175	4.0
192.07826	15.3
195.06413	1.8
199.04018	1.8
201.01892	1.9
203.07086	86.5
204.07451	6.6
206.05771	20.0
210.05266	7.6
219.06723	2.1
220.07411	3.8
221.08139	70.4
222.08487	3.1
224.06815	19.1
235.50224	1.8
239.06950	2.4
251.07253	2.7
262.06458	1.7
263.07306	3.1
269.04636	3.2
270.05231	2.0
279.06573	2.9
280.07199	2.6
281.08240	6.9
284.03223	4.7
285.03946	13.2
291.06619	4.7
294.08795	2.0
296.10532	2.7
297.04083	29.8
297.07660	7.3
297.17026	2.4
298.04736	24.3
299.05383	9.9
306.09094	3.3
309.07678	11.0
311.05621	7.9
312.10046	2.3
313.10812	5.4
315.18149	6.9
324.10034	8.1
327.05511	2.2
327.12393	15.6
339.05173	7.1
339.12357	32.9
340.12668	4.3
357.06165	81.0
357.13113	23.6
357.17896	2.5
357.19608	2.6
358.06497	10.3
358.13507	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	357.1344
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47390	1.2
58.08096	1.3
64.66763	1.4
71.31626	3.1
103.05460	1.3
108.01411	1.2
108.02067	19.4
121.02851	3.3
123.03542	2.3
123.04398	32.3
127.90143	1.3
135.04358	3.7
145.02864	2.2
146.03658	2.7
147.04395	4.4
148.05208	9.1
149.02345	3.8
149.05943	5.9
150.03127	7.5
151.32388	1.2
155.04790	1.3
157.03078	1.5
158.03633	3.5
159.04404	13.2
159.79903	1.2
160.05199	25.4
161.02362	1.9
161.05928	4.4
162.03160	5.6
163.03903	2.4
164.04720	2.3
165.05460	3.1
173.05989	2.0
174.03139	8.2
174.06758	1.6
175.03773	1.4
175.07549	7.1
176.04756	8.7
177.01883	4.7
177.05490	76.6
178.06256	31.7
179.06801	1.3
180.04179	2.4
187.03912	15.5
188.04720	24.3
189.05481	7.9
191.03383	2.6
191.07076	31.1
192.04184	3.1
192.07803	9.0
193.08604	2.9
203.07079	100.0
204.07355	9.0
205.04987	3.1
206.05783	22.6
207.06142	1.7
208.03732	2.5
210.05280	9.2
219.06535	3.8
220.07355	3.0
221.08148	77.0
222.08394	4.4
224.06874	20.2
233.08182	2.0
251.07274	2.1
263.07224	1.8
279.06644	1.5
280.07468	2.7
281.08188	4.2
291.06564	3.6
296.10428	1.6
306.08856	2.1
309.07657	5.2
311.12848	3.4
313.10892	4.2
317.60342	1.2
324.09967	5.1
327.12347	11.0
328.12619	1.5
339.12384	43.6
340.12784	4.3
342.11017	2.1
357.13416	49.1
358.13669	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	357.1342
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56372	3.2
71.01286	4.7
71.01621	6.0
72.45120	3.3
78.21821	3.0
89.86449	2.8
108.02060	22.4
110.75381	2.9
123.04414	42.0
145.02835	4.0
148.05179	9.0
149.06000	10.5
150.03140	9.0
158.03549	3.3
159.04434	17.5
160.05222	24.6
161.05945	4.2
165.05452	4.6
173.06134	3.9
174.03130	8.2
175.07538	8.5
176.04695	5.3
177.05492	97.1
178.06284	22.6
187.03920	13.6
188.04713	12.4
191.07060	31.1
192.07814	10.4
203.07054	100.0
204.07280	6.2
206.05800	14.4
210.05246	5.8
220.07355	6.6
221.08122	91.3
222.08546	4.1
224.06851	20.0
268.06976	3.8
281.08109	6.1
291.06830	3.7
306.08984	3.9
309.07556	4.7
311.12808	3.9
324.10034	3.8
327.12305	9.5
339.12283	44.0
340.12579	5.0
357.13406	31.4
358.13907	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	357.1193
Annotation	Grevilloside E
Peak:m/z	Relative Intensity
53.40703	3.5
59.01255	64.7
63.36646	4.3
69.46015	20.8
69.46427	9.1
71.01254	74.8
72.99184	100.0
73.02824	7.5
85.02837	14.1
87.00771	6.3
88.22870	3.3
89.02328	45.6
95.01242	6.2
101.02322	31.8
105.03356	5.8
105.06979	7.3
109.02840	7.5
113.02347	28.9
115.05429	42.0
119.03403	23.4
123.04471	4.6
133.06477	25.2
135.04503	5.4
149.05986	34.5
151.03905	4.1
151.07610	9.6
159.04425	44.3
175.07578	4.2
177.05504	28.4
179.05623	6.8
195.06573	13.2
195.10336	5.2
196.45245	3.6
339.10828	25.2
348.40613	3.5
357.08002	6.6
357.11893	46.6
358.12195	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	357.1191
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01758	1.4
57.03318	13.7
59.01245	7.2
59.74523	1.0
62.32184	0.9
70.83400	0.9
70.83749	1.7
71.01262	4.2
72.99163	2.0
73.02786	1.2
75.00729	1.3
83.01253	2.4
84.02045	3.6
85.02818	100.0
86.03170	2.7
86.25150	0.8
87.00745	1.8
93.22814	0.9
95.04906	1.7
97.06444	0.8
103.00230	1.4
104.30643	1.0
108.02042	0.9
111.00779	3.7
115.00254	1.4
121.10092	1.3
123.08040	1.2
129.01822	8.5
133.02794	1.1
135.04402	1.6
147.02884	12.3
165.09140	1.8
169.03706	0.9
171.10120	1.6
173.00829	1.3
185.11743	2.3
185.24989	0.7
191.01886	26.0
192.02274	0.9
209.02942	3.2
227.12770	1.2
239.12849	3.4
255.16206	1.0
285.04059	1.0
297.03912	3.2
298.04681	0.9
312.94946	0.9
357.06146	6.9
357.19077	1.9
357.22955	6.1
357.26398	6.2
358.23206	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	357.1191
Annotation	Grevilloside E
Peak:m/z	Relative Intensity
54.89734	2.6
55.85435	2.0
58.00452	3.0
59.01250	68.0
64.95558	2.0
70.41219	7.6
70.41578	2.6
71.00855	3.4
71.01251	67.5
72.99178	100.0
73.02809	6.5
75.00710	3.7
77.03831	4.7
81.03379	2.2
81.75521	2.4
83.01230	3.5
85.02818	20.2
87.00770	4.0
89.02316	47.0
89.03805	3.4
90.74471	2.1
95.01248	7.2
95.04891	2.6
99.00748	3.6
101.02322	26.9
104.84237	2.0
105.03323	4.6
105.06982	8.0
107.04902	5.4
109.02832	9.5
113.02325	19.5
113.12869	2.1
115.05424	54.7
119.03397	19.1
121.02859	3.5
121.06453	3.8
129.01830	2.2
133.06485	21.2
135.04465	2.2
140.86002	2.1
143.03444	2.5
144.71010	2.2
148.01471	2.2
149.04787	3.1
149.05962	23.5
151.03879	2.4
151.07527	7.3
153.01834	4.4
159.04414	40.3
160.04712	2.5
161.04517	3.2
161.05937	4.4
177.05505	18.7
179.05495	7.9
179.06990	4.6
191.07233	2.3
195.06552	5.2
195.10147	2.8
215.72910	1.9
339.10864	22.0
357.07596	3.2
357.11905	46.6
358.12451	4.2
368.03568	2.2
381.72958	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	357.1192
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80815	0.5
59.01250	16.2
64.32273	0.5
69.03308	0.6
69.21670	1.7
69.22093	4.3
71.01256	8.6
72.99189	0.6
73.02820	11.9
81.03352	2.3
83.01261	3.2
85.02813	2.1
89.02310	1.6
93.03368	0.6
98.20496	1.1
101.02319	8.2
108.02108	0.5
113.02310	1.8
119.03413	0.8
121.02839	1.6
122.03591	1.1
134.03630	1.2
135.04416	6.3
136.01561	17.5
137.02359	3.8
138.03128	100.0
139.03473	3.1
143.03427	0.7
146.03719	0.7
151.02684	1.2
151.03909	19.8
152.04248	0.7
153.05478	61.3
154.05818	2.7
161.04518	1.1
164.04678	0.6
179.07031	0.5
191.03192	0.5
297.04102	0.8
297.09747	2.0
297.17099	1.1
315.10724	2.9
315.18063	3.4
342.11044	1.0
357.06119	1.5
357.12979	5.7
357.17960	0.7
357.19131	0.6
358.13156	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1192
Annotation	Unknow
Peak:m/z	Relative Intensity
57.20166	0.5
59.01261	3.1
69.18546	1.4
69.18960	3.4
74.10143	0.5
82.09888	0.6
108.02033	2.2
109.05153	0.5
123.04411	2.1
135.04425	0.6
137.02359	1.2
138.03127	100.0
139.03464	4.2
149.57942	0.4
150.03120	0.8
151.03900	0.8
153.05479	95.6
154.05801	4.6
158.03636	0.7
159.04346	1.4
159.29550	0.5
160.05186	1.8
162.03111	0.6
162.42981	0.5
165.05464	0.6
170.43571	0.4
176.04774	0.7
177.05510	5.9
178.06209	1.4
187.03929	1.1
188.04710	1.8
191.07047	2.8
192.07797	0.8
195.06544	0.7
203.07080	7.6
204.07382	0.9
206.05788	1.4
210.05226	1.0
221.08144	5.9
224.06789	1.4
279.06555	0.6
281.08093	0.5
297.16940	0.8
309.07678	0.8
312.06384	0.4
315.10757	0.6
315.18146	2.4
324.09998	0.6
327.08649	1.7
327.12384	1.2
339.12305	3.9
342.10931	1.7
357.13522	4.4
357.18753	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	357.0614
Annotation	3,8-Dimethoxy-5,7-dihydroxy-3',4'-methylenedioxyflavone
Peak:m/z	Relative Intensity
50.59313	0.2
51.34299	0.2
52.87335	0.2
59.01237	0.5
60.96399	0.2
63.99809	0.3
71.06862	0.4
72.03523	0.2
77.03828	0.3
93.03371	0.2
113.02271	0.3
121.02837	100.0
121.17077	0.3
122.03165	4.2
134.55025	0.2
151.03905	0.2
160.79802	0.2
165.01830	1.2
177.01797	0.2
180.05702	1.8
181.06493	6.7
182.06781	0.5
225.05502	6.4
226.05832	0.5
244.76404	0.2
260.73550	0.2
262.64102	0.3
269.08264	0.2
313.07162	7.2
314.07416	0.8
357.06122	30.1
358.06476	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	357.0938
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	11.6
61.98702	100.0
71.01273	2.7
71.51562	3.6
85.02816	3.4
133.02867	8.7
135.45639	2.3
161.04503	6.5
161.73326	2.5
163.04991	3.5
182.43968	2.7
227.48378	2.7
253.56337	2.6
285.03989	5.6
297.04083	11.8
298.04749	7.2
299.05582	7.9
304.56519	2.7
311.05804	3.9
339.05038	6.9
357.06165	44.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.0614
Annotation	Laxanthone II
Peak:m/z	Relative Intensity
59.01254	2.1
60.06810	0.4
65.00206	1.1
66.96089	0.5
71.01260	1.1
72.99183	0.9
83.01247	0.9
85.02834	1.7
87.00774	0.5
91.05404	4.6
93.03328	3.4
95.76611	0.4
96.95879	0.5
107.01267	1.1
107.04914	0.8
109.02837	5.4
111.04373	1.0
115.00263	0.5
132.02046	0.8
133.02838	26.2
133.06468	2.6
134.03275	0.8
135.00812	1.0
135.04391	3.4
136.01578	0.9
137.02347	2.3
137.55368	0.5
149.02277	1.1
149.05949	2.7
151.00255	1.2
151.03914	1.4
153.01851	1.0
159.04428	0.9
161.02333	4.9
162.03195	0.7
163.00262	5.8
171.04543	0.5
174.03107	0.8
175.03943	3.3
177.01807	1.5
177.05495	4.4
179.03410	3.8
180.06691	0.5
197.06105	0.5
199.03926	2.1
201.01860	1.7
203.03355	0.8
205.01381	0.6
211.04030	1.3
211.13356	1.3
217.05023	1.4
225.05609	2.5
226.02605	0.8
226.06076	0.6
227.03444	1.6
227.07051	1.1
237.14859	1.0
240.04350	0.5
241.04982	1.0
243.02832	0.7
245.08134	0.7
247.02190	0.5
251.03468	1.0
253.05072	2.1
254.05771	0.8
255.02940	1.7
255.16206	0.6
267.06549	0.6
269.04547	2.8
269.07867	0.6
270.05194	0.6
284.03189	1.2
285.04019	13.1
285.07263	0.9
286.04227	0.8
297.04025	43.4
298.04593	5.9
311.05664	1.9
313.07156	73.6
314.07471	7.7
315.18164	2.2
327.14517	1.0
339.05072	16.8
339.09152	0.9
340.05322	1.9
357.06119	100.0
357.15219	5.3
357.26379	1.1
358.06476	10.4
358.15988	0.7
358.26654	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	22.1
61.98424	9.6
61.98697	100.0
62.49516	6.7
65.54008	7.3
71.01237	7.7
71.38055	12.6
71.84126	6.5
73.00566	7.4
86.14538	7.6
102.66682	7.6
121.02852	28.4
140.49799	8.4
148.42790	8.3
151.03865	11.1
186.09692	6.6
187.87463	7.1
229.58733	7.3
265.17227	9.8
294.88290	8.4
322.15698	8.0
357.05936	12.9
357.13080	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	356.2805
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62730	1.4
55.90824	1.3
65.85314	1.3
71.51051	2.0
74.02338	100.0
75.02702	1.9
84.04394	2.5
90.55574	1.6
118.04948	2.6
118.23792	1.5
121.02826	1.8
133.73001	1.7
146.51601	1.5
266.24850	13.1
268.26425	6.0
294.24319	21.7
294.27524	3.2
312.25406	65.4
313.25690	6.7
356.28003	31.7
357.28275	4.5
357.70029	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	356.0986
Annotation	cyclo-Dopa 5-O-glucoside
Peak:m/z	Relative Intensity
51.14072	0.6
54.78032	0.5
57.08530	0.6
59.01253	3.6
67.76886	0.6
69.55259	2.2
69.55672	1.8
71.01252	2.6
75.00726	0.6
77.70478	0.5
78.95766	3.0
85.02829	3.0
91.01800	0.5
93.03306	0.6
94.03619	0.6
96.96854	1.1
98.20507	1.1
101.02303	1.0
106.06505	100.0
107.06840	2.4
108.08077	4.7
113.02313	1.3
123.00768	0.7
130.06487	0.9
130.08633	0.7
131.03661	2.3
136.07570	1.0
150.05511	54.3
151.03935	2.5
151.05853	2.2
152.04276	3.0
164.07085	9.0
174.05515	1.1
192.06596	7.1
193.06815	0.7
194.04504	24.6
195.04825	1.3
209.03012	0.6
225.38612	0.7
236.05582	3.6
247.19295	0.6
276.35803	0.7
296.07776	2.2
356.09946	6.4
357.05969	1.4
357.09894	1.0
357.19214	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2488
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51526	1.2
52.42601	1.3
57.03301	2.1
59.01228	4.2
59.21308	1.2
62.77950	1.2
71.01247	2.1
71.42611	1.7
81.08573	1.2
83.01232	1.5
85.02817	15.5
90.08237	1.2
97.06434	2.3
98.19923	1.3
104.56762	1.1
105.42660	1.2
109.99297	1.4
110.89803	1.3
113.09584	1.9
141.09149	1.5
147.02859	1.5
153.32428	1.2
163.96652	1.1
165.12686	2.6
167.14308	1.6
181.12233	3.3
183.01141	2.6
191.01886	4.0
191.42175	1.4
195.13805	1.8
199.00594	1.4
203.14615	1.3
209.02966	6.5
211.13287	2.9
221.15387	1.8
227.29024	1.3
227.35445	1.4
234.83534	1.2
235.02388	1.3
240.13686	1.9
247.20598	4.2
263.80084	1.3
273.18628	2.5
281.21167	2.0
291.19656	32.0
292.19943	3.3
309.20694	100.0
310.21002	10.2
330.57877	1.5
355.19330	5.2
355.24713	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	355.2488
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03328	2.4
59.01245	3.8
69.77621	2.3
69.78013	3.1
71.01243	2.4
71.81179	1.0
75.64034	1.0
85.02817	11.9
97.06490	1.5
98.19860	1.0
113.09613	2.4
115.07532	1.9
134.33482	1.0
135.11644	1.1
141.09044	1.7
151.39873	1.1
165.12730	3.9
167.14258	1.8
181.12259	3.5
183.01093	1.4
183.13828	1.2
191.01881	3.0
193.12268	1.4
193.15871	1.6
195.13857	1.5
209.02980	3.3
211.13292	2.1
240.13608	1.6
244.32243	1.4
247.20631	3.8
250.38593	1.2
265.22018	1.1
273.18585	2.4
281.21115	1.2
291.19650	35.2
292.19995	3.9
309.20703	100.0
310.21182	8.9
331.55032	1.2
355.19284	3.6
355.24750	1.7
356.28986	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2489
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01704	0.4
57.03310	1.9
58.03656	0.4
59.01250	4.3
60.59966	0.4
69.03321	1.6
71.01237	1.1
75.19550	0.5
81.03305	0.6
83.01245	0.6
83.04904	1.2
84.02036	2.8
85.02820	11.3
95.04887	0.6
97.02816	1.1
97.06463	11.9
113.05968	0.5
119.04898	0.5
119.08471	0.7
119.46545	0.4
125.09594	1.0
129.01765	0.6
135.08151	0.5
137.09624	1.2
147.02885	1.0
149.13219	1.0
155.10683	0.6
163.03864	0.7
165.12663	0.9
171.10172	11.6
172.10493	0.7
175.11169	0.7
183.01071	0.7
183.13863	1.7
185.11723	0.9
191.01839	2.9
193.12262	13.2
194.12660	0.8
209.02907	4.0
211.13333	16.0
212.13747	1.0
221.11772	0.8
229.14401	1.0
235.02357	0.8
239.16472	22.6
239.69356	0.5
240.16817	2.0
257.17578	9.8
258.17767	0.7
261.14960	0.6
267.16135	1.3
279.55859	0.6
287.16504	0.5
291.19656	1.3
292.42545	0.5
305.17545	1.6
311.22092	0.7
319.22513	0.5
337.23566	0.7
355.24857	100.0
356.25186	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	355.2488
Annotation	Prostaglandin F1alpha
Peak:m/z	Relative Intensity
52.73478	0.3
57.03318	1.5
59.01244	3.2
69.03322	2.2
71.01247	1.1
71.50916	0.4
71.51308	0.6
72.99149	0.4
83.04892	1.1
84.02036	5.5
85.02824	7.8
89.02315	0.4
95.04886	0.7
97.02827	3.5
97.06463	10.1
103.07835	0.5
111.00721	0.5
113.05927	1.1
119.04904	0.6
119.08517	0.6
125.01630	0.4
125.09614	1.4
135.08029	1.0
137.09621	1.6
147.02910	0.7
153.09105	0.6
163.07719	0.5
165.12737	1.5
171.10182	21.5
172.10544	1.3
175.11134	0.6
183.13777	2.8
191.01958	2.2
193.12268	11.0
194.12694	0.7
197.11858	0.5
209.02951	3.3
211.13341	16.1
212.13675	0.8
221.11789	0.8
239.12881	0.9
239.16496	17.0
240.16750	1.1
257.17575	8.4
258.17889	0.5
261.14642	0.5
267.16016	0.9
291.19687	3.5
305.17532	1.4
309.20471	0.4
319.22681	0.9
334.71698	0.4
337.23727	0.7
355.24869	100.0
356.25159	10.2
356.70383	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2277
Annotation	19-(2-furyl)nonadeca-5,7-diynoic acid
Peak:m/z	Relative Intensity
59.01240	4.8
62.12474	1.3
69.63905	1.4
71.01251	2.1
71.07851	2.6
85.02813	3.5
101.02383	1.6
109.02811	2.2
109.97847	1.3
111.00732	1.5
122.03625	8.1
135.04420	24.1
136.01550	2.0
147.08110	2.9
149.05925	1.4
149.09587	7.3
151.07523	2.8
161.09650	7.6
163.07521	5.0
163.09833	2.8
163.11197	48.6
164.08345	15.1
164.11530	2.1
165.09106	8.0
177.09128	71.3
178.09894	19.6
179.10687	70.4
180.11040	4.3
183.10243	2.1
191.10674	16.6
193.08675	10.4
200.60396	1.4
265.12161	1.9
280.14606	2.3
298.15720	50.9
299.16031	6.2
321.18658	1.7
322.19324	2.1
337.21710	46.4
338.22098	4.9
340.20398	79.3
341.20694	8.1
355.22775	100.0
355.59418	1.5
356.23105	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	355.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70884	1.0
59.01249	100.0
60.01601	1.1
65.07353	1.3
71.01258	6.8
71.85693	1.0
73.02825	2.5
75.02306	1.1
75.78194	1.0
83.01283	1.2
85.02819	9.4
92.09844	1.0
95.01295	1.2
99.00739	1.2
100.39764	1.2
101.02325	4.6
111.00742	1.6
113.02359	1.4
133.58524	1.3
140.40260	1.5
142.08633	1.2
161.04445	3.7
167.10648	3.0
191.01852	1.4
211.13367	1.2
221.50774	1.0
295.06262	1.2
313.16489	4.3
340.09381	3.9
352.38666	1.1
355.11966	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	355.1329
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27361	2.4
55.01766	2.7
57.03334	14.6
59.01247	20.2
71.01250	12.1
71.04904	3.2
71.50257	4.8
75.00788	2.4
80.04916	18.6
83.04893	2.5
84.02046	3.4
85.02827	89.6
86.03177	2.8
96.95860	5.1
97.06469	6.5
106.02892	4.3
109.06485	7.2
114.03717	8.2
119.04908	3.9
123.08092	3.7
124.03951	3.2
125.09609	24.4
126.03442	2.6
129.01797	8.2
147.02881	10.3
161.09630	3.7
163.11171	7.5
174.01590	4.0
175.03827	3.9
185.11743	4.5
190.12209	3.9
191.01869	22.3
206.15422	10.8
207.10178	7.1
208.17026	8.1
209.02965	34.8
209.11745	4.1
211.13286	3.6
223.13333	9.5
232.13353	12.6
235.02388	8.3
237.14964	4.0
241.08969	6.4
250.14432	100.0
251.14729	8.6
252.15974	7.7
253.09264	2.9
277.15530	6.9
284.13193	34.2
294.13553	13.5
328.12183	30.8
355.04379	6.1
355.12228	5.5
355.17804	5.3
355.24887	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	355.1333
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82288	1.0
57.03315	5.6
59.01246	8.8
69.74640	1.2
71.01255	2.6
71.50102	1.2
73.25872	1.0
74.00562	1.5
80.04925	19.5
83.04924	2.0
83.98973	1.2
85.02823	26.3
87.26204	1.0
89.02312	1.4
96.95892	4.1
97.06467	3.6
101.02338	1.3
101.28679	1.2
101.40692	1.0
104.76032	1.2
106.02859	3.9
109.06475	7.3
114.03720	7.9
119.04891	1.8
121.05177	1.3
121.06528	1.2
122.49847	1.0
123.08051	2.0
124.03951	4.5
125.09615	18.1
129.01802	2.4
141.70596	1.0
147.02899	2.9
161.09598	2.9
163.11195	9.6
171.10197	2.2
174.01598	1.3
175.03966	2.7
176.04562	1.8
179.14259	2.2
185.11786	2.7
188.14331	1.8
190.12318	2.4
191.01860	6.4
191.10689	1.5
204.04222	1.2
206.15421	10.5
207.10236	7.7
207.15642	1.3
208.13411	2.4
209.02930	9.0
209.11760	3.0
223.13347	7.1
232.13371	9.2
237.14937	1.2
241.09004	2.9
245.85020	1.2
250.14452	100.0
251.14754	7.8
277.15579	8.2
278.15927	1.2
284.13235	29.0
285.13531	2.8
294.13510	11.4
320.19122	1.2
328.12222	29.9
329.12503	3.4
355.12637	3.9
355.17740	2.4
355.24802	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1185
Annotation	Vitedoin A
Peak:m/z	Relative Intensity
54.12971	0.5
59.01252	3.1
62.31093	0.5
69.86657	1.4
69.87041	1.2
71.06567	0.5
85.02838	1.1
86.83701	0.7
92.74249	0.5
98.20604	0.7
101.92116	0.5
103.05512	0.6
108.02063	0.9
119.04913	6.2
121.02807	0.6
131.04919	0.8
147.04422	13.4
148.05144	1.1
149.02322	1.7
150.03174	2.8
161.06026	0.6
162.03102	0.9
164.04700	1.5
165.05515	1.3
175.03925	100.0
176.04694	44.8
176.06335	1.2
177.05096	2.9
188.04652	0.8
189.05493	7.0
190.06281	26.8
191.06757	2.2
203.03392	1.2
203.92134	0.5
204.02362	1.2
204.04202	18.2
205.04651	0.8
207.08025	0.8
208.03722	16.9
211.13371	0.6
216.04178	0.6
217.05011	14.0
217.06853	0.6
218.05759	12.1
219.06561	42.9
220.06898	2.3
222.05275	28.1
223.05664	1.3
223.07646	0.9
231.06523	1.4
235.07648	1.1
237.05600	1.1
238.06114	0.7
239.07089	1.3
249.05682	0.6
250.06290	0.5
250.14467	1.4
251.07120	1.5
258.21408	0.6
267.06729	2.9
279.06665	4.8
294.09048	1.4
295.06137	7.5
296.06839	11.6
297.07425	1.7
307.06134	6.3
308.06564	0.8
310.08417	2.7
311.05789	1.2
311.09253	15.7
312.09775	1.8
322.08493	5.4
323.08554	1.3
325.10797	2.4
327.12292	3.6
336.14035	0.6
337.10806	2.3
340.09497	2.6
355.11844	86.3
356.12219	10.2
376.70624	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1033
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63866	0.7
59.01241	1.9
59.74147	0.7
59.75620	0.9
68.34946	1.0
71.50726	1.1
74.89668	0.8
76.46424	0.8
76.89983	0.9
85.02821	3.1
89.49900	0.8
90.74718	0.9
96.95864	1.2
101.02299	1.3
121.02815	1.9
133.02858	1.0
134.03624	45.6
135.03931	1.8
137.02309	6.4
139.03893	2.1
149.02318	6.6
149.05968	15.0
153.16115	0.9
160.01535	2.5
163.90315	0.8
164.04698	10.6
165.05080	0.9
175.03964	3.1
178.02617	28.2
179.02998	2.3
179.07008	5.8
193.04990	100.0
194.05347	4.9
206.66617	0.8
209.02968	1.3
223.06094	2.4
355.10257	5.7
379.95657	0.8
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	Unknow
Peak:m/z	Relative Intensity
52.21822	0.6
53.36792	0.5
55.01763	3.3
57.03320	15.7
59.01254	4.0
67.01747	1.3
71.01254	7.7
71.50311	1.0
72.99177	1.6
73.02812	2.3
73.15880	0.6
75.00739	1.4
83.01248	7.9
84.02039	2.9
85.02819	100.0
86.03159	1.8
87.00745	1.4
89.02311	0.7
93.19284	0.5
96.95841	0.6
99.00768	1.2
101.02322	4.5
106.06512	3.6
111.00758	24.1
112.01083	1.0
113.02350	0.8
126.10960	0.5
129.01826	34.9
130.02135	1.0
132.14366	0.6
147.02908	1.3
149.05984	9.9
150.05464	4.5
161.02376	1.4
161.04466	2.9
164.07178	0.8
164.69046	0.6
165.05472	0.6
187.02394	1.1
191.01851	3.5
193.01355	0.9
194.04698	0.7
205.03459	18.7
206.03801	0.7
206.28909	0.5
209.02954	5.9
212.45039	0.5
223.04507	5.2
235.02446	3.1
265.03384	0.9
311.10220	0.7
325.07196	1.1
340.09518	2.6
355.11646	1.0
361.73206	0.5
367.66339	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1034
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03309	3.5
59.01251	38.2
59.45956	1.7
63.27328	1.4
71.01257	13.2
71.18301	3.1
72.99187	8.2
73.02831	2.3
78.38854	1.5
83.01234	2.0
85.02824	27.7
89.02331	3.4
90.12903	1.5
96.37416	1.3
98.46686	1.5
101.02317	7.4
113.02338	4.2
113.03870	2.9
131.04915	2.1
134.03636	77.7
135.03992	4.3
137.02327	3.1
149.05997	26.0
157.02820	3.4
161.04483	5.2
171.97308	1.7
175.04010	7.9
178.02660	12.8
191.01897	6.2
191.05600	1.7
193.04985	100.0
194.05319	4.0
209.02997	15.4
269.10397	8.7
337.09021	1.7
355.10406	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	355.1034
Annotation	Unknow
Peak:m/z	Relative Intensity
53.19251	0.9
55.01744	1.8
55.93982	1.0
57.03314	1.7
59.01250	100.0
60.01577	1.1
70.85609	2.5
71.01256	24.0
73.02818	9.9
81.38277	1.0
83.01256	3.3
85.02827	15.3
87.00742	1.4
89.02315	1.4
92.43710	0.9
95.01245	1.8
97.02779	1.0
99.00773	4.6
101.02319	20.7
103.99183	1.0
113.02334	10.0
113.40398	1.1
143.03380	1.3
151.03842	1.0
159.02878	1.7
161.04472	17.8
241.18880	1.3
256.12158	0.9
269.10272	29.7
270.10522	2.6
321.22641	0.9
344.82547	1.0
355.10312	6.2
371.56387	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1034
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	4.8
57.03323	18.4
59.01245	5.4
60.32896	0.9
62.79553	0.9
67.01752	1.0
69.03333	1.0
71.01254	9.2
71.03896	1.1
71.04232	1.6
72.99159	1.5
73.02820	1.8
75.00742	1.0
78.89719	0.8
83.01254	9.5
84.02074	2.0
84.73510	0.9
85.02824	100.0
86.03171	2.3
90.98469	1.3
93.03303	1.1
97.70315	0.9
99.00793	1.2
101.02336	6.0
101.79837	0.9
105.00069	0.9
109.02866	1.6
111.00759	27.7
113.02316	1.0
115.03888	1.1
119.04883	1.0
121.02842	1.6
125.02294	1.6
128.44377	0.9
129.01840	35.4
133.02827	4.0
137.02348	1.1
147.02901	2.1
149.02275	1.4
149.05975	9.8
149.09598	2.3
151.00214	1.3
151.03995	1.2
161.02386	1.0
161.04482	3.1
163.00269	1.0
163.03908	2.0
165.01888	1.5
167.06084	5.6
177.01830	2.0
179.03377	1.4
187.02513	1.2
191.01868	3.7
193.01350	5.2
195.02917	1.4
197.49632	0.8
205.01616	1.4
205.03453	20.2
207.02884	1.9
208.00093	3.5
209.00798	2.7
209.02931	5.7
221.00862	2.9
223.02441	1.5
223.04417	5.3
235.02431	2.7
236.08179	1.6
251.01935	13.2
255.02809	1.2
264.07758	3.0
266.09274	2.0
269.04654	1.7
281.02811	5.0
284.03229	1.4
284.10309	1.0
294.08954	2.4
298.04807	2.9
299.05630	5.5
309.04068	1.5
312.10007	1.2
327.05121	9.7
355.04681	13.6
355.13751	1.7
356.05081	4.0
356.08835	2.9
356.25330	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	355.0879
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03319	8.7
59.01254	53.9
62.50254	7.5
71.01243	89.7
71.49106	15.6
72.99172	54.6
73.02821	23.7
73.22390	9.6
75.00742	37.9
85.02813	37.7
87.00740	100.0
89.02329	33.0
95.65661	9.8
96.95875	9.8
96.96806	10.6
97.02794	12.7
98.95468	10.9
99.00755	47.5
101.02317	28.2
103.00233	11.4
105.01787	15.2
113.02328	43.8
115.00301	9.3
115.03924	10.7
117.01830	50.2
125.02354	12.4
127.00246	9.8
129.01823	29.6
141.01817	27.4
147.02870	20.3
153.45198	8.9
155.03389	11.4
155.06601	8.8
159.02884	28.8
175.02391	24.5
177.04016	22.1
355.09052	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	355.0669
Annotation	Unknow
Peak:m/z	Relative Intensity
54.31049	1.1
55.01751	3.5
57.03323	18.2
59.01245	9.7
63.16576	1.1
71.01245	4.4
71.48780	1.8
72.99171	3.2
73.02863	1.0
75.00748	2.0
83.01233	1.8
84.02039	3.6
85.02821	100.0
86.03138	2.0
87.00746	1.2
89.02290	1.3
111.00729	1.6
115.00204	1.6
119.04907	5.0
129.01842	4.1
133.01308	2.3
147.02875	6.2
163.03880	2.9
182.07826	0.9
191.01903	10.2
209.02982	14.1
266.97247	0.9
298.55984	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.082
Annotation	Fridamycin E
Peak:m/z	Relative Intensity
50.65923	1.4
51.65060	1.3
59.01242	7.5
61.98698	1.7
65.78384	1.4
67.97755	1.6
69.32684	11.1
71.01238	3.1
72.35958	1.4
85.02819	6.0
89.02367	1.5
96.46297	1.4
97.50343	1.5
101.02362	1.9
113.02258	1.5
115.50372	1.2
119.04902	16.8
121.02839	83.3
122.03162	2.2
161.04457	2.0
163.03908	9.6
181.06543	3.0
183.75536	1.3
191.01909	1.4
193.07051	1.9
194.02083	1.7
209.03059	2.7
209.54961	1.2
225.05524	2.7
311.09235	100.0
312.09552	8.2
355.08209	44.0
355.11926	1.9
356.08615	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	355.0669
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	1.7
57.03323	11.0
59.01243	7.5
61.46228	0.9
71.01250	2.8
71.21062	1.4
72.99182	1.2
75.00731	1.0
83.01252	2.2
84.02044	1.9
85.02820	100.0
86.03175	2.6
86.84957	1.0
87.00770	1.1
87.12023	0.9
89.02325	1.3
94.08995	0.9
101.02368	1.2
103.00243	2.1
119.04900	3.7
129.01825	7.4
134.24597	0.9
147.02893	10.1
148.03072	1.1
163.03932	4.4
190.20790	0.9
191.01912	20.8
209.02965	20.1
263.14252	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.067
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74793	1.3
55.01751	2.8
57.03321	14.7
59.01251	9.0
62.77057	1.1
71.01256	6.9
71.06796	1.9
72.99173	1.8
75.00721	1.8
79.10310	1.2
83.01260	2.4
84.02036	2.7
85.02823	100.0
86.03150	3.1
87.00753	1.3
89.02328	2.4
111.00738	3.7
115.00213	1.7
119.04878	3.5
129.01860	6.7
133.01283	1.2
147.02888	9.3
157.64514	1.2
163.03876	2.5
191.01895	25.8
192.02321	1.8
209.02975	37.7
210.03357	1.4
210.06889	1.1
256.04321	1.2
267.54016	1.1
350.21304	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.0668
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01758	2.5
57.03328	13.9
59.01250	8.4
69.53289	6.3
71.01251	3.6
72.99182	2.6
75.00758	1.0
83.01247	1.5
84.02055	2.5
85.02823	100.0
86.03163	1.2
87.00751	1.1
89.02304	1.0
94.88456	0.8
96.95901	4.1
98.20511	1.8
98.95471	3.5
101.02291	1.4
103.00266	1.9
110.11237	1.0
113.02309	1.3
119.04926	3.6
120.75349	0.8
129.01848	7.7
145.02829	0.9
147.02910	7.9
163.03899	4.1
173.00763	1.1
183.75150	0.9
191.01904	24.2
206.56458	0.8
209.02971	22.9
355.01877	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.0669
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01764	1.7
57.03325	10.2
59.01243	6.4
59.01524	1.2
71.01246	5.7
71.07336	1.9
71.07674	2.1
72.99193	1.9
83.01183	1.5
84.02018	2.6
85.02819	100.0
86.03144	1.9
87.00726	1.6
89.02301	2.9
98.20118	1.6
103.00250	2.7
111.00746	5.2
112.33897	1.3
115.00213	2.0
119.04913	3.2
129.01852	7.8
133.01332	3.2
147.02879	6.4
163.03958	2.1
173.00838	1.8
191.01917	28.0
209.01022	2.8
209.02966	45.1
230.56047	1.3
304.82236	1.4
321.72971	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.0668
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20228	1.1
57.03322	9.9
59.01241	5.0
68.99722	1.5
69.64926	5.7
71.01247	4.7
72.99188	1.5
79.73275	1.3
81.49571	1.0
83.01270	1.7
84.02023	1.6
85.02821	100.0
86.03153	2.3
89.02327	1.3
98.19888	2.0
101.02335	1.4
111.00749	2.1
119.04900	2.6
123.01967	1.2
129.01823	6.1
133.01350	2.6
147.02899	4.1
163.03946	2.6
191.01891	19.5
196.52066	1.2
205.96773	1.2
209.02950	27.8
220.20905	1.3
235.84126	1.2
357.54810	1.4
363.75137	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.0671
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67379	4.6
52.45546	4.1
57.03317	12.3
59.01247	23.2
66.33103	4.2
69.59682	30.4
70.98513	3.9
71.01244	9.1
72.99198	6.0
85.02823	100.0
98.20662	4.7
119.04894	6.5
125.86984	4.1
129.01823	5.1
134.03621	5.8
146.18636	4.8
151.11249	4.3
164.62360	4.4
191.01912	35.1
209.02989	92.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.0669
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82038	0.8
55.01757	3.7
57.03322	16.8
59.01001	0.9
59.01257	10.1
62.32011	0.8
65.90759	1.0
67.01746	0.8
68.64118	0.7
69.64813	5.7
69.65123	1.3
71.01254	8.7
72.99177	3.3
73.02851	0.9
75.00750	3.1
76.51344	0.9
83.01265	1.7
84.02053	2.7
85.02822	100.0
86.03139	1.7
87.00720	1.3
89.02309	3.0
90.95710	0.8
98.20599	0.9
101.02306	1.2
103.00228	1.8
111.00775	1.9
113.47346	0.8
119.04919	3.2
119.71440	0.8
129.01799	6.8
133.01300	1.4
147.02892	9.3
163.03911	2.9
164.49321	0.9
171.73615	0.9
173.00900	1.0
191.01897	24.6
192.02251	0.8
209.02956	37.9
210.03337	1.4
355.06717	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	354.3012
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01232	3.4
62.57701	0.9
69.93208	3.8
69.93596	1.7
71.01231	0.7
85.02808	1.2
96.95937	1.0
100.08591	0.8
101.02277	0.8
105.62553	0.7
116.07056	100.0
117.07365	2.1
161.04445	2.6
192.79199	0.8
207.93910	1.0
214.64987	0.9
310.31116	6.3
311.31390	1.1
354.30109	71.9
355.30545	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	354.1194
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01770	1.5
57.03318	3.0
59.01250	95.7
60.01575	1.2
63.42072	1.1
69.68879	7.3
69.95071	0.9
71.01255	42.3
72.99156	1.3
73.02817	12.4
83.01279	4.4
85.02824	24.4
86.03186	2.6
87.00735	1.3
89.02302	2.1
95.01239	1.4
99.00764	6.8
99.67088	1.1
101.02312	20.5
111.00786	2.1
113.02336	18.9
121.02840	3.0
122.03186	2.0
129.01868	4.2
130.02158	1.6
143.03430	2.8
146.96706	1.1
159.02888	8.0
160.49243	1.0
161.04468	100.0
162.04782	2.5
170.72951	1.0
179.79620	1.1
188.05600	9.2
205.03535	3.2
206.03993	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	354.2647
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03314	1.5
59.01246	2.8
69.77471	1.3
69.77884	2.7
71.01244	1.3
72.04424	0.9
84.02027	1.5
85.02809	3.8
86.02338	5.0
97.06483	2.2
99.08037	1.3
100.03936	1.2
113.09628	3.2
115.07533	5.7
127.07549	2.9
128.08325	2.4
129.09036	0.8
136.31273	0.7
139.11229	1.0
161.04439	0.8
165.12694	0.9
167.14304	4.1
171.10182	4.2
191.01895	1.0
193.12242	1.5
195.13829	10.5
196.14310	0.8
208.16820	0.8
209.02936	1.2
211.13388	2.1
224.16486	7.3
226.18016	4.2
236.16519	3.6
238.18105	0.7
239.16438	2.9
249.22293	0.9
254.17569	4.1
256.19135	2.1
284.18665	1.2
285.19397	3.3
293.21234	7.0
294.21561	0.8
306.24307	1.3
308.25916	1.6
318.24567	1.0
326.26831	1.9
334.23752	1.0
336.21680	1.3
336.25464	16.3
337.25760	1.8
354.26471	100.0
355.25290	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	354.1193
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57696	2.2
52.20335	1.7
59.00954	3.5
59.01248	62.8
59.68933	1.7
65.37968	1.7
70.81628	7.5
70.81990	1.7
71.01248	25.4
73.02818	9.0
85.02837	8.3
99.00756	2.2
101.02314	18.8
109.34688	1.7
113.02351	13.0
135.00867	1.7
143.03384	5.0
159.02921	4.3
161.04475	100.0
188.05579	7.1
207.89874	2.2
251.08939	2.0
373.03076	2.3
375.00467	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	353.2333
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03311	2.2
59.01249	17.7
59.93806	0.7
61.65464	0.7
71.01247	1.1
71.04867	0.6
71.50073	0.6
76.72234	0.6
97.02808	0.7
97.06458	1.3
98.03622	1.4
101.02315	0.8
121.02834	0.8
123.08015	0.9
125.09607	12.8
126.09918	0.8
127.11150	3.4
139.11147	2.1
161.04488	1.6
163.11156	4.2
164.11826	1.1
165.12723	3.1
167.03528	0.6
167.10687	0.9
168.11525	1.1
179.14331	1.6
181.12250	1.8
183.01164	3.8
183.13762	4.4
185.11766	1.5
191.05519	0.7
207.10175	1.0
222.10054	0.8
223.13373	11.8
224.13684	0.8
225.11343	2.1
241.14439	7.7
249.22202	5.9
249.28822	0.8
255.19536	1.0
293.21219	74.6
294.21509	8.1
309.24402	3.2
311.22260	100.0
312.22632	11.5
335.22214	7.5
336.22577	1.0
353.17981	6.9
353.23279	7.5
354.18152	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.1193
Annotation	Unknow
Peak:m/z	Relative Intensity
53.40414	1.2
55.01752	3.2
57.03331	1.6
58.56206	1.1
59.01248	100.0
60.01614	1.1
65.49863	1.2
70.57542	3.7
71.01253	43.2
72.01606	1.5
72.90039	1.1
73.02822	11.6
75.32928	1.2
82.84185	1.2
83.01267	4.1
84.27615	1.1
85.02357	1.9
85.02824	22.0
89.02325	1.8
95.01294	2.5
99.00761	5.8
101.02323	23.7
113.02321	22.4
114.92429	1.1
143.03444	2.6
150.06764	4.5
151.07527	1.8
159.02908	5.4
161.04462	76.6
162.04799	3.0
188.05550	5.1
245.30450	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	353.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05816	1.3
50.26702	1.3
57.03310	3.1
59.01249	71.7
65.16862	1.5
65.27814	1.2
69.59589	9.3
71.01258	2.1
85.02815	1.9
97.06443	1.7
99.86184	1.3
111.08059	1.4
112.34253	1.3
113.09598	2.6
114.44508	1.5
115.07510	3.0
125.09597	2.2
127.11121	2.3
134.10170	1.3
161.04457	3.7
165.12729	4.3
167.14246	2.5
183.01135	32.0
191.05478	1.5
191.14348	1.8
195.13837	7.5
225.14906	6.9
237.14984	3.6
249.22200	17.5
291.23187	2.3
293.21210	74.5
294.21365	8.2
311.22269	100.0
312.22504	9.3
317.21286	3.6
335.22238	39.6
336.22708	3.2
341.33701	1.6
353.13531	2.9
353.17905	61.1
353.22903	5.0
354.18219	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	353.2331
Annotation	Rhodomollein XVII
Peak:m/z	Relative Intensity
59.00956	2.3
59.01245	35.2
61.98693	5.7
62.49685	1.6
71.01233	2.0
71.04422	1.5
71.04922	1.3
71.05276	3.1
73.02825	1.7
79.95637	1.5
85.02818	1.7
88.79156	1.3
96.95886	1.6
101.02309	1.6
111.08047	1.4
125.09649	1.6
127.11187	1.8
127.79138	1.4
129.09093	3.9
138.11769	1.5
141.12729	1.7
153.12744	4.5
161.04425	4.0
169.12250	2.0
181.12254	8.3
183.01108	2.8
191.05524	2.3
211.13315	4.3
223.13332	1.6
241.14452	1.9
249.22165	5.9
275.19995	1.5
291.23203	3.0
293.18069	2.4
293.21243	39.2
294.21396	2.6
299.20114	2.8
311.22260	100.0
312.22629	11.7
317.21368	8.6
335.22229	36.0
336.22610	4.0
353.17859	8.0
353.22736	7.2
361.12164	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	353.1864
Annotation	Kopsinoline
Peak:m/z	Relative Intensity
59.01244	21.0
71.01247	5.0
71.50204	3.5
73.02816	3.8
84.18078	2.2
96.95918	2.1
98.06031	2.4
101.02310	3.9
111.00768	2.7
113.02322	4.2
122.20761	2.3
161.04420	9.9
171.10152	13.4
191.05525	3.5
210.60022	2.8
247.64223	2.3
277.21725	13.7
295.22726	26.4
353.18576	100.0
354.18744	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2117
Annotation	Guayulin B
Peak:m/z	Relative Intensity
52.69272	0.2
59.01203	0.3
70.83572	0.7
79.95611	1.2
95.95100	0.3
96.95887	10.8
111.70284	0.2
112.94799	0.2
122.97459	0.8
149.70999	0.3
161.05988	0.5
163.11186	87.4
164.10228	0.5
164.11523	5.9
177.09116	65.5
178.09468	4.4
194.05672	0.3
197.38980	0.3
222.08923	0.5
353.21136	100.0
354.21512	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	353.1538
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03416	1.8
58.99465	7.2
59.01240	10.3
70.79118	4.2
70.79450	2.2
71.01256	2.9
71.04881	4.6
75.00768	2.2
83.02357	5.9
84.00762	2.3
87.02628	4.5
96.03164	6.2
97.03944	5.9
97.06469	100.0
98.00578	2.8
98.06792	3.0
99.02618	2.2
99.05540	2.6
101.02364	2.1
101.04193	2.9
109.03949	10.6
110.00574	2.6
110.02328	7.0
111.05523	42.9
115.32032	1.8
116.01640	19.2
122.05933	2.1
123.05516	8.1
124.07602	2.4
125.05906	2.6
125.07064	2.2
136.07611	2.4
139.05031	15.8
140.00368	5.7
141.01163	4.0
146.09674	4.8
150.09103	2.2
151.04979	3.7
152.05327	3.0
152.07059	8.1
152.99490	3.4
154.01990	10.6
154.06898	5.7
155.02762	34.5
157.04335	4.2
157.10516	2.5
161.04428	4.1
167.02762	16.8
177.10316	3.6
180.08339	3.0
183.02234	14.6
190.12396	1.9
192.13872	4.3
203.11877	14.8
206.08186	3.0
206.11824	9.4
211.08998	16.1
221.12886	3.7
224.11046	3.7
237.10631	11.0
247.10857	3.4
257.16559	4.4
291.15280	4.3
309.16391	76.4
310.16617	6.3
319.16550	8.2
353.11078	3.1
353.15375	46.4
353.23218	3.8
353.76492	2.0
354.15710	5.4
354.23193	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	353.0181
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02929	0.3
70.64581	1.2
71.01234	0.3
74.68011	0.3
76.75278	0.4
79.95621	1.8
93.03284	0.4
96.95883	100.0
97.02830	0.8
111.00781	0.4
115.00259	1.9
335.00757	1.9
353.01758	4.4
354.02185	0.4
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
55.01749	3.5
57.03320	16.9
59.01254	18.0
66.15272	1.3
67.01759	1.2
68.15189	1.2
69.63864	6.6
71.01256	11.2
72.99175	2.2
73.02819	4.8
75.00758	1.8
83.01263	10.1
85.02821	100.0
86.03171	2.8
99.00766	1.9
101.02318	7.3
108.45145	1.1
111.00766	22.6
113.02311	3.8
121.02848	4.4
122.03189	2.2
123.88895	1.3
129.01822	35.3
130.02182	1.2
147.04411	11.1
149.05994	3.6
161.04451	13.1
168.25850	1.3
172.38165	1.2
191.43781	1.2
205.01677	1.8
205.03476	20.9
211.07556	2.0
216.15195	1.1
255.06499	2.6
297.07526	1.9
353.06528	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	353.0877
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01753	4.0
57.03328	17.4
59.01259	10.3
60.59115	1.2
68.99683	1.4
69.57369	1.4
71.01242	8.0
71.52807	1.9
72.99213	2.6
73.02820	3.3
73.78310	1.3
83.01245	9.9
84.02029	2.0
85.02823	100.0
85.36442	1.4
86.03160	2.2
87.69031	1.3
96.95887	2.4
99.00780	2.0
101.02329	4.8
111.00769	25.8
113.02328	1.4
129.01825	35.2
147.04382	11.0
161.04407	8.8
175.22716	1.3
191.07039	1.6
205.03479	21.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.2623
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01256	100.0
59.22929	25.5
67.28847	20.8
71.51427	49.6
78.46769	23.9
85.66518	23.4
88.87271	22.8
90.19724	22.0
102.48452	22.3
111.00792	32.6
113.64413	28.1
129.72368	27.4
137.02299	24.1
161.04408	24.1
173.04413	30.7
180.22340	25.9
200.93254	28.4
353.17862	41.7
353.23874	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	353.018
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01254	0.3
71.49053	0.4
79.95597	1.0
88.37986	0.3
96.95886	100.0
97.02827	0.6
97.95816	0.3
99.54582	0.2
107.26494	0.3
111.00755	0.6
111.04421	0.4
115.00261	1.5
171.67908	0.3
176.98582	0.3
209.04320	0.3
213.03943	0.5
334.96884	0.5
335.00803	5.8
336.01062	0.4
339.94943	0.3
353.01813	11.9
354.02100	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.2491
Annotation	Methyl tumonoate A
Peak:m/z	Relative Intensity
56.79385	1.1
59.01250	5.9
61.08977	1.1
69.03316	2.6
69.18429	3.0
69.18831	9.6
70.27411	1.2
71.01257	3.5
72.04414	1.8
85.02836	1.7
86.02338	5.0
95.04879	1.9
96.95876	2.3
97.02814	5.5
97.06466	3.9
100.03904	1.6
115.07504	2.1
125.05974	5.1
137.09627	2.7
141.09096	2.6
146.04597	1.4
151.11176	4.4
153.12773	1.8
165.12752	9.4
192.20923	1.2
195.13712	2.1
224.16376	2.8
226.17995	3.3
229.21509	1.4
236.16487	1.5
247.20624	2.1
254.17764	3.1
273.18625	4.0
282.17068	16.5
283.17850	52.2
284.18204	3.5
291.19641	11.7
314.21265	2.5
316.22842	3.4
324.25528	4.0
334.23886	49.3
335.24136	4.8
352.24915	100.0
353.19702	2.1
353.25238	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	352.2162
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	5.3
61.98704	4.2
69.46045	2.8
69.46478	4.2
70.74463	0.7
71.01225	0.9
73.02824	0.9
77.57554	0.8
79.95596	10.8
82.74338	0.8
93.03321	1.9
95.95103	6.1
96.95885	99.7
97.83575	0.9
98.20500	1.5
111.00795	1.2
115.30726	0.9
135.04411	2.2
145.61920	0.9
152.00127	3.2
152.99541	0.9
172.71202	0.8
173.04448	1.3
177.01357	0.9
184.02721	1.0
191.05435	1.4
224.87166	0.8
248.86195	1.0
274.61194	0.8
298.03561	0.9
308.19086	3.0
352.21622	100.0
353.21957	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	352.1038
Annotation	OxIAA-Glc
Peak:m/z	Relative Intensity
59.01245	6.4
71.01254	3.6
71.06807	1.8
71.07128	3.1
85.02831	3.9
87.00735	2.1
89.02306	2.0
99.00760	2.2
101.02297	2.2
109.18020	1.7
113.02332	7.5
116.04908	4.3
126.37793	1.9
128.04916	2.9
131.03679	7.3
132.04448	12.3
142.06573	2.2
144.04440	34.2
145.04770	1.8
146.06023	72.7
147.06371	2.9
158.06015	4.9
162.05498	6.1
170.05956	8.5
172.03937	29.4
180.06569	2.4
183.16856	1.8
186.05437	3.3
188.03453	2.3
190.05020	100.0
191.05463	8.3
214.05020	4.6
232.06093	32.5
233.06413	1.7
260.22507	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	352.1036
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	0.8
59.00957	1.6
59.01250	31.2
68.71881	0.8
69.03322	0.9
71.01257	12.1
71.29649	2.2
73.02818	16.5
83.01254	4.0
85.02812	2.0
87.00739	1.4
89.02312	2.0
93.03329	1.9
95.01265	1.5
99.00720	1.0
99.77647	0.9
101.02324	11.5
108.02073	2.0
113.02332	5.0
121.02843	100.0
122.03185	3.9
132.04425	4.5
135.04410	4.9
143.03412	1.1
144.04457	3.0
145.02827	2.9
146.02362	12.1
147.04410	4.9
148.03938	16.8
149.02356	1.7
149.04385	1.6
151.03844	1.3
161.04422	3.5
163.03937	5.5
172.04002	2.1
174.05518	5.2
175.03902	1.9
177.05502	1.2
196.98137	0.8
202.05002	1.0
205.05045	1.6
247.06104	1.6
265.07275	2.0
278.04898	0.9
292.08194	6.0
310.09326	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	352.1037
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01770	1.1
57.03316	2.4
59.01251	28.3
68.01275	1.1
69.68385	1.3
69.68796	3.3
71.01251	13.3
72.99182	0.8
73.02824	16.5
83.01257	5.2
84.62840	0.7
85.02823	16.2
87.00757	2.6
89.02306	1.8
93.03345	1.4
95.11086	0.7
97.02847	1.0
101.02322	14.0
108.02055	1.1
110.81245	0.7
111.00770	4.2
113.02322	4.9
121.02847	100.0
122.03181	4.0
129.01834	5.3
131.03387	1.4
132.04475	5.0
135.04401	4.2
143.03410	1.8
144.04446	4.6
145.02885	2.2
146.02382	11.3
147.03366	1.0
147.04419	5.5
148.03937	15.6
149.02319	1.1
149.04395	2.2
151.03908	2.0
157.12177	0.8
160.03932	1.0
161.04469	3.2
163.03941	7.1
165.52068	0.7
168.12599	0.7
172.03949	2.6
174.05548	2.9
175.03893	2.0
205.03487	2.0
205.05070	1.8
219.47900	0.7
247.06137	1.4
265.07211	1.2
292.08243	5.7
310.09363	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	351.2537
Annotation	9,11-methane-epoxy PGF1alpha
Peak:m/z	Relative Intensity
59.01253	5.1
63.65899	0.8
67.59531	0.9
70.66188	2.1
70.66529	1.0
77.33828	0.8
83.01963	1.0
85.02813	2.6
88.03880	1.0
113.02348	4.5
125.64647	0.9
133.58508	1.0
227.46486	0.9
236.82947	0.9
255.23293	3.1
292.04056	1.0
314.48376	0.9
319.22784	11.3
320.23108	1.3
351.25375	100.0
352.25638	9.8
369.56314	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2539
Annotation	Pretomentol
Peak:m/z	Relative Intensity
57.03329	3.2
58.00456	3.5
58.91760	1.5
59.01242	17.1
69.30355	10.0
69.30767	4.1
71.01254	19.0
72.99174	2.7
73.02818	8.2
75.00744	100.0
87.00749	2.2
89.02306	2.1
123.56379	1.6
263.23755	3.4
277.25235	3.3
279.23285	17.8
280.23694	3.3
289.25568	2.4
291.23157	6.2
293.24966	9.8
303.23242	2.3
305.24832	8.9
321.24374	41.3
322.24850	2.9
333.24316	18.8
334.24649	2.6
346.71521	1.7
351.25385	20.3
352.25772	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2171
Annotation	Sterebin C
Peak:m/z	Relative Intensity
57.03311	2.7
59.01246	23.1
61.98696	0.8
63.03347	0.8
64.69236	0.7
69.03317	1.1
69.16541	10.2
69.37471	0.9
71.01254	1.9
71.04875	1.7
81.03324	1.2
83.04889	0.9
95.04892	2.2
96.95882	3.4
97.02802	4.5
97.06459	2.0
98.03602	2.0
100.42757	1.0
109.06477	1.3
111.00729	2.2
111.08016	1.1
113.05959	1.3
123.04365	1.3
123.07991	1.5
125.05988	1.1
125.09612	18.5
137.09561	1.2
141.12784	1.8
145.02812	0.9
161.04427	1.1
163.11241	4.8
165.09044	1.0
165.12726	7.2
168.07855	1.4
179.14291	4.2
181.12233	10.3
185.11742	2.5
187.09700	1.1
193.15839	1.6
207.10190	1.4
209.11789	1.8
211.09703	1.3
223.13336	19.3
224.13626	1.2
225.11186	3.6
229.19279	0.9
231.10223	1.4
241.14410	9.4
247.20688	9.8
248.20992	1.0
253.18076	2.6
273.18527	2.0
279.23264	15.4
280.23581	1.9
289.21909	1.1
291.19647	77.0
292.19891	7.6
307.22803	14.6
308.23065	1.5
309.20685	100.0
310.21057	10.2
315.19592	1.5
333.20642	16.7
334.21106	1.5
351.18604	1.4
351.21838	16.8
352.21927	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	351.2175
Annotation	Sterebin C
Peak:m/z	Relative Intensity
57.03319	1.9
59.01249	65.3
70.88586	2.7
82.40039	1.0
97.06460	2.1
100.91240	1.2
111.08064	3.2
113.09588	1.6
137.02336	1.2
164.65152	1.2
165.12779	9.1
179.14301	1.2
181.12276	1.8
195.13882	1.7
211.13358	2.8
217.15907	1.4
225.14894	23.7
226.15215	2.7
244.45450	1.2
247.20621	12.8
263.19919	1.4
271.20776	1.5
273.18481	5.0
275.45145	1.1
279.23459	2.7
280.95306	1.3
289.21613	2.1
291.19656	100.0
292.19998	8.0
307.22830	2.6
309.20673	60.2
310.21033	5.0
313.46710	1.4
315.19675	5.1
333.20673	38.9
334.20944	4.4
351.21570	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	351.2175
Annotation	Flexibilolide
Peak:m/z	Relative Intensity
51.69824	1.8
57.03332	1.8
57.62615	1.9
59.01254	41.2
61.98694	5.3
77.52065	1.7
91.89291	1.7
96.35715	1.9
111.00758	7.8
111.08015	4.9
113.09617	10.0
121.02814	2.7
123.08064	2.3
135.04417	2.0
141.12759	3.6
161.06032	3.1
165.12743	24.8
167.07050	2.9
168.07820	4.8
175.07526	11.3
182.05843	2.2
191.10771	2.3
204.11487	3.5
209.11664	2.5
211.13263	3.0
216.48621	2.1
224.06398	1.8
231.10217	10.9
279.23282	100.0
280.23618	11.9
289.21741	12.0
295.22626	3.1
307.22797	36.9
308.23050	4.4
315.19519	6.2
323.22269	4.2
333.20694	73.6
334.20923	9.9
351.18039	2.3
351.21848	28.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2173
Annotation	Sterebin C
Peak:m/z	Relative Intensity
51.43828	2.2
57.03311	7.4
59.01251	72.1
70.26595	9.2
71.01257	3.4
98.19793	2.7
98.36946	2.1
118.49409	2.5
125.09581	5.3
127.07546	4.9
135.08018	4.6
138.31406	2.3
151.11211	3.2
165.12677	4.1
179.14365	2.4
181.12253	6.1
200.52321	2.2
211.13332	8.3
221.11746	4.7
247.20598	7.9
279.23224	4.7
291.19638	65.3
292.19858	6.6
307.22635	3.0
309.20703	100.0
309.24280	4.9
310.20963	9.2
315.19553	5.4
333.16824	4.9
333.20670	72.3
334.20935	6.7
351.21909	17.1
352.21735	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	351.1703
Annotation	Vindolinine N-oxide
Peak:m/z	Relative Intensity
59.01243	57.5
63.63522	5.3
66.50452	6.3
71.51543	6.7
95.08336	5.6
108.95559	5.6
137.33698	5.4
147.29900	6.1
171.10161	17.0
196.50148	7.4
275.20160	14.4
293.21136	15.0
298.50787	6.9
351.17026	100.0
352.17450	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	351.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	100.0
71.01255	0.8
73.02826	0.9
75.90607	0.8
96.95917	1.4
123.47710	0.8
137.17223	0.7
139.38660	0.6
144.81982	0.8
210.62961	0.6
247.54301	0.7
291.18228	2.7
317.15100	1.0
334.23965	1.0
346.67282	0.7
351.21802	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	351.1658
Annotation	Unknow
Peak:m/z	Relative Intensity
53.96894	0.4
55.01728	0.5
59.01248	100.0
60.01587	1.4
64.58674	0.5
69.15967	2.8
69.16399	3.0
71.01264	0.9
73.02847	0.7
77.20820	0.5
83.01242	0.5
85.02849	1.0
111.00807	0.6
121.02885	1.4
128.89038	0.5
171.02953	0.6
202.13165	1.0
204.11189	0.6
220.14201	0.8
246.12164	0.6
289.16245	0.7
321.15442	1.9
351.16284	5.8
352.16003	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.166
Annotation	Unknow
Peak:m/z	Relative Intensity
55.87883	0.7
59.01249	100.0
60.01593	1.7
69.88129	2.2
69.88537	1.6
86.03278	0.7
121.95094	0.7
205.03525	2.0
250.03853	0.7
266.76279	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.2699
Annotation	Melophlin E
Peak:m/z	Relative Intensity
59.01237	1.4
69.40617	4.5
71.25182	0.4
75.71503	0.5
88.03915	100.0
88.62605	0.7
89.04243	1.2
131.88058	0.5
166.13234	0.5
168.15396	0.6
185.18584	0.4
350.26993	34.4
351.27313	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1658
Annotation	Unknow
Peak:m/z	Relative Intensity
58.61782	1.3
59.01247	100.0
60.01588	1.3
65.67104	1.5
67.18410	1.1
69.21864	10.2
71.01259	1.9
71.06909	1.1
78.95763	1.1
80.96381	1.5
85.02814	1.8
89.02325	1.7
98.42498	1.2
101.02399	1.3
109.85759	1.2
111.00754	1.6
139.65498	1.3
241.70198	1.1
261.09814	2.0
351.04968	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	350.2466
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	100.0
60.69498	13.6
65.08553	12.9
70.76192	32.1
87.32384	15.0
91.29668	12.4
120.66143	13.7
125.24307	15.9
163.22411	14.2
180.59836	13.1
202.55495	15.4
231.10159	23.0
328.98560	14.0
351.21741	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	350.2465
Annotation	Unknow
Peak:m/z	Relative Intensity
55.62452	8.8
58.48394	9.5
59.01246	100.0
64.28088	8.0
69.61842	39.2
71.01247	15.8
72.96655	8.5
83.10004	11.3
89.21774	7.8
98.20468	15.2
165.12726	21.8
168.07843	10.7
185.11734	10.4
191.75369	9.4
192.95764	13.3
231.10176	24.6
279.23276	89.1
307.22708	39.7
333.20609	57.8
351.21686	27.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.238
Annotation	Methyl sciadopate
Peak:m/z	Relative Intensity
51.59226	1.5
57.03332	1.6
59.01243	10.8
71.01251	18.1
71.50848	2.4
72.99181	2.2
73.02821	8.1
75.00742	100.0
82.75227	1.6
84.02051	1.7
87.00742	3.3
89.02300	2.9
102.05013	1.3
108.67786	1.7
113.22471	1.5
116.59445	1.4
132.38921	1.6
139.07526	2.7
257.25977	1.6
261.22076	1.9
273.22296	2.8
277.21753	15.5
287.23575	1.8
289.21823	3.9
291.23306	5.8
303.23141	7.6
319.22726	32.9
320.23080	3.0
331.22690	18.0
332.23019	1.7
341.90863	1.8
349.23795	19.0
350.23831	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	349.2016
Annotation	CHEBI:68873
Peak:m/z	Relative Intensity
57.03311	2.4
59.01229	3.6
65.19971	0.8
69.03315	1.8
69.49040	5.6
76.98926	0.8
78.50018	0.8
81.03306	1.0
83.04887	1.9
84.70310	0.7
93.03260	1.1
97.06480	1.2
107.04874	1.0
110.03689	1.1
111.08032	14.7
121.06472	3.4
122.23058	1.0
123.00773	1.2
123.08043	1.8
135.04428	1.3
136.05186	1.1
136.63939	0.8
137.02344	1.8
139.07437	1.1
139.11128	1.1
147.04396	2.5
149.05960	1.1
149.09541	0.9
160.05154	0.8
161.05974	3.6
162.06735	1.2
163.11015	0.8
165.05495	1.8
165.09091	0.9
165.12750	32.4
166.06282	0.8
166.13084	1.6
173.05931	0.9
176.08426	0.9
181.12204	1.0
187.07594	3.0
189.16452	1.1
189.22441	1.0
191.10622	1.6
201.09186	2.9
202.09933	3.0
209.11755	2.9
211.13329	2.4
221.11720	1.3
243.21098	3.8
261.22208	1.9
277.21692	100.0
278.22092	10.9
287.20157	13.3
293.21378	4.8
303.19492	1.2
305.21198	47.2
306.21530	5.3
313.18042	9.1
319.30240	0.8
321.20587	7.0
325.55029	0.8
331.19110	87.0
332.19482	8.5
349.20163	15.4
350.20508	1.9
355.52216	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1867
Annotation	6,7-Dihydroxydihydrolinalool 7-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
53.45148	0.8
56.64370	0.8
59.01251	27.8
60.15603	0.9
69.34284	6.3
70.04052	0.8
71.01251	15.9
73.02791	0.8
73.31960	0.9
80.70509	0.9
82.02866	1.2
83.01254	1.8
84.04420	15.8
84.10532	0.8
85.02812	3.1
85.04813	0.8
87.00746	2.5
89.02314	10.7
101.02319	9.6
113.02345	4.6
117.57144	0.8
119.02622	0.9
119.03360	4.9
127.02097	0.8
127.36235	1.2
128.03426	51.4
129.03767	1.3
141.12749	21.3
142.13155	1.0
149.04500	0.9
169.12273	3.6
183.13840	2.1
187.13316	43.6
188.13727	2.0
193.12265	1.6
210.14853	1.6
220.13408	3.6
227.25284	0.8
229.14340	1.5
260.22931	0.8
273.24045	0.8
278.17612	2.2
322.16577	3.2
349.18231	100.0
350.18503	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	349.1501
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	3.6
57.03320	19.3
59.01241	3.0
67.01756	1.2
68.99665	1.0
70.64501	2.2
71.01249	6.7
72.99165	1.2
73.02821	2.8
75.00716	0.9
83.01244	9.6
84.02034	3.0
85.02819	100.0
86.03159	1.4
99.00730	1.4
101.02312	5.5
103.03868	0.6
111.00761	33.9
112.01093	1.1
112.20145	0.5
129.01826	44.7
130.02161	1.2
143.10684	13.6
155.10724	0.8
161.04456	2.1
172.29466	0.6
177.04050	0.6
179.38011	0.7
187.02420	2.1
191.92464	0.7
205.03462	27.0
205.16071	0.8
206.03755	1.0
211.13391	1.4
223.04605	4.1
223.17099	1.0
267.15909	1.6
289.14200	0.7
349.15149	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	349.1769
Annotation	Daryamide A
Peak:m/z	Relative Intensity
59.00962	1.1
59.01248	17.4
62.64329	0.6
70.63561	1.4
70.63917	1.3
71.01254	10.0
72.99172	1.0
75.96648	0.7
82.02848	1.7
83.01247	0.9
84.04423	15.9
85.02843	3.2
87.00748	1.0
89.02323	7.6
90.00184	0.7
98.20621	0.7
101.02322	8.2
113.02340	4.2
113.90773	0.6
119.03390	2.7
121.97984	0.8
127.49816	0.9
128.03426	56.7
129.03772	1.6
129.09019	0.8
141.12750	14.4
145.70793	0.8
169.12265	2.8
171.13782	0.7
176.68927	0.7
182.51611	0.6
183.13841	1.2
187.13321	29.9
187.15028	1.5
188.13528	1.3
193.12271	2.3
210.14960	0.7
220.13335	4.1
259.01324	0.7
278.17566	2.2
322.16537	3.6
323.16910	0.8
326.59540	0.8
331.16385	0.7
349.18097	100.0
350.18375	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	349.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	3.5
57.03321	13.9
59.01248	7.2
61.98715	1.2
68.99726	0.9
71.01267	8.0
71.51505	2.0
73.02832	1.8
75.00740	1.3
77.19151	0.9
82.66051	0.9
83.01254	8.4
84.02034	1.4
85.02824	100.0
86.03142	1.8
89.02308	0.9
98.17651	1.0
101.02287	5.4
102.40398	1.1
111.00762	31.4
112.01140	1.0
129.01836	38.0
130.18781	1.0
140.99367	1.1
143.10675	13.9
161.04521	3.3
187.02399	2.0
205.03481	22.6
223.04561	4.5
225.92950	1.1
252.50044	1.2
309.49695	1.0
349.15244	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	349.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	100.0
71.01247	0.8
71.49983	0.6
71.50410	0.8
82.17109	0.6
86.34283	0.7
89.02354	0.8
101.02359	1.3
113.02346	0.8
120.30443	0.7
138.67726	0.6
163.88062	0.7
165.67288	0.7
349.18805	1.0
349.22546	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	349.1503
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	1.1
59.01251	100.0
60.01558	1.4
69.03303	4.0
71.01254	22.5
72.99197	2.6
73.02830	1.5
75.00738	2.6
81.03334	1.3
83.01211	1.7
85.02823	6.4
87.00751	3.7
89.02316	9.4
95.04916	1.6
97.02843	5.4
97.06464	1.6
99.04382	1.8
99.63621	0.9
101.02312	10.9
107.04904	9.1
113.02332	5.3
117.59195	0.9
119.03389	5.1
125.02319	2.9
125.05942	2.7
131.03372	3.8
132.44202	1.1
141.05383	1.1
143.03392	1.7
149.02354	1.8
151.03908	5.5
152.04691	1.7
161.04468	2.0
163.78879	1.1
169.04968	14.3
187.06047	14.4
188.06438	1.2
193.08910	0.9
301.10638	1.0
340.42853	1.1
344.40317	1.0
349.11349	84.6
350.11728	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	349.114
Annotation	Prodiamine
Peak:m/z	Relative Intensity
52.56001	0.9
55.01740	1.3
59.01249	100.0
60.01571	1.1
69.03315	3.6
71.01250	25.0
71.51224	1.0
72.99172	3.6
73.02816	2.1
75.00739	4.2
81.03334	2.3
85.02816	6.0
87.00754	3.4
89.02303	11.8
95.01260	1.2
97.02836	5.3
97.06483	1.6
98.03147	1.2
99.04399	2.3
99.36031	0.9
101.02321	10.3
107.04905	11.7
113.02328	8.2
119.03378	5.4
123.04426	1.0
125.02327	2.4
125.05964	3.9
131.03394	3.1
134.41827	1.0
141.05464	1.2
143.03401	1.4
143.07095	1.2
143.89221	0.9
149.02367	1.6
151.03908	6.2
154.86804	0.9
161.04417	1.3
169.04973	15.9
187.06039	14.6
257.69882	1.0
275.49091	0.9
286.23273	0.9
349.11362	66.0
350.11841	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	348.2542
Annotation	Neovasipyridone B
Peak:m/z	Relative Intensity
59.01236	0.5
66.69573	0.4
70.83649	1.3
71.22971	0.4
79.63555	0.5
86.06003	0.6
88.03912	100.0
89.04242	1.7
110.30387	0.4
143.69122	0.5
154.69684	0.4
168.29492	0.4
225.06573	0.4
273.01065	0.5
348.25409	35.9
349.25714	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	348.2753
Annotation	Unknow
Peak:m/z	Relative Intensity
57.16384	3.4
58.72215	3.3
59.01247	100.0
61.98697	8.1
67.68326	3.2
71.01241	5.9
71.48820	3.7
71.49218	4.8
85.02747	4.5
87.00775	3.8
98.62745	4.3
184.97551	4.5
331.12994	11.8
348.18854	14.3
349.13809	6.2
349.20120	7.1
364.76047	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	348.1837
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78232	3.2
57.03328	3.6
59.01250	17.3
61.02097	3.2
61.98708	2.9
66.16949	2.9
71.04893	4.2
73.67422	3.0
97.31403	2.8
100.25311	2.9
111.08012	8.4
114.64319	3.3
122.03207	3.0
125.09606	4.5
132.61470	3.0
165.12773	14.0
175.11143	3.9
178.09898	3.5
179.10307	6.4
221.11775	4.2
239.12778	4.2
261.22171	3.9
277.21707	100.0
287.20190	7.5
305.21216	63.6
310.20966	8.1
320.22989	5.2
330.21463	13.6
331.19092	31.6
348.18488	5.5
348.22467	57.0
349.20038	43.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1861
Annotation	Tricholomalide A
Peak:m/z	Relative Intensity
50.29844	1.1
51.43620	1.0
59.01245	21.2
69.59090	1.8
69.59499	5.3
71.01229	1.2
92.73884	1.0
108.78749	1.0
161.11156	1.0
241.15887	3.4
257.19202	6.4
275.20142	34.7
276.20459	3.8
303.19647	29.3
304.19977	2.7
347.18597	100.0
347.22278	9.4
348.18906	12.0
348.22714	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	347.2226
Annotation	Kolavic acid 15-methyl ester
Peak:m/z	Relative Intensity
56.68247	0.3
59.01218	0.3
71.50430	0.4
88.90044	0.2
97.43175	0.2
123.08053	0.3
164.08351	1.6
165.09059	0.5
169.33704	0.3
177.09129	0.4
191.07109	0.5
196.07353	0.6
201.09128	0.4
215.10741	0.4
229.08472	0.5
231.10147	0.5
243.10188	3.5
244.10980	4.4
245.11678	0.3
257.11810	1.4
257.15463	0.4
269.11438	0.3
272.14209	1.1
272.17633	0.6
299.16513	1.1
300.17316	1.5
311.22244	0.8
312.10434	0.3
315.19620	100.0
316.19968	9.6
329.17392	0.3
347.18512	1.9
347.22330	2.9
348.22470	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1862
Annotation	Alboatisin B
Peak:m/z	Relative Intensity
50.36454	0.4
59.01263	0.8
60.33512	0.4
70.10633	1.5
70.11042	1.0
83.04889	0.9
85.06427	0.7
85.89411	0.4
96.95902	0.7
100.13800	0.5
101.02991	0.5
111.00751	0.9
123.00807	0.5
137.02347	2.0
152.04678	1.0
153.05457	2.1
154.98495	0.5
163.11179	0.7
164.08340	0.6
165.05487	1.6
166.06232	0.8
167.07040	2.1
179.07008	0.6
189.12802	0.9
192.04195	0.7
195.06516	0.8
215.10738	0.7
217.12271	0.9
219.13884	0.6
229.08470	0.6
243.10197	1.4
244.10966	1.8
257.11884	0.7
257.19101	4.1
263.91595	0.5
271.09726	1.5
272.14468	0.8
272.17764	0.5
281.42114	0.5
285.14987	0.9
285.18607	1.7
286.15457	0.7
287.16129	0.5
289.10815	0.7
299.12979	0.9
301.18097	5.2
302.18497	0.9
303.19644	0.5
311.16263	0.6
311.22220	3.1
315.19626	38.2
316.19955	3.5
319.19116	2.9
329.17548	27.9
330.17865	3.4
345.17014	0.6
347.18604	100.0
347.22134	4.6
348.18982	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	347.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86989	0.7
54.49641	0.5
55.01762	3.1
57.03321	19.2
58.03640	0.8
59.01244	3.1
67.01753	2.0
68.99658	0.9
69.54098	3.7
71.01251	5.4
72.99157	1.6
73.02807	2.3
75.00735	0.8
83.01252	10.5
84.02053	1.9
85.02819	100.0
86.03154	1.8
98.19807	0.9
99.00729	0.9
101.02325	6.1
103.03915	0.7
107.72312	0.6
111.00759	28.0
112.01062	1.0
128.77989	0.5
129.01823	43.5
130.02220	0.9
134.24162	0.6
139.21132	0.6
141.09113	10.6
159.02921	0.6
161.04425	2.8
187.02367	1.6
205.03471	24.4
209.11792	1.4
223.04503	5.1
268.73932	0.5
323.16687	0.6
347.13522	1.6
347.24319	1.9
362.13904	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91993	0.9
55.01752	3.8
57.03321	16.6
59.01250	3.7
60.52885	0.7
60.95003	0.7
62.89812	0.8
67.01734	1.1
68.99664	1.3
69.27100	0.7
70.92144	1.0
70.92461	1.4
71.01248	6.4
72.99191	2.1
73.02803	2.8
75.00729	1.1
83.01256	10.1
84.02041	2.0
85.02821	100.0
86.03150	2.4
87.00752	1.3
90.86862	0.8
99.00744	1.5
101.02343	4.8
111.00753	31.2
116.74289	0.8
122.90867	0.8
129.01823	43.6
130.02155	1.1
141.09113	11.0
161.04436	1.5
177.03822	1.0
185.11722	1.7
205.03459	22.7
206.03835	1.9
223.04515	4.9
256.29279	0.8
303.19815	1.8
334.83472	0.8
337.84387	0.9
347.13699	2.5
347.18521	13.1
348.18484	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	345.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03312	3.1
59.01248	34.7
61.98681	1.2
63.76020	0.8
68.04810	0.9
71.04861	0.9
71.43215	1.0
71.52487	1.8
78.95785	1.3
81.12838	1.0
85.06453	2.2
96.91850	1.2
115.07555	5.1
123.04471	1.1
148.26169	1.1
153.12776	1.5
167.14357	1.2
169.12231	3.4
183.13829	1.9
195.17470	7.9
205.74741	0.8
210.99785	0.9
229.15868	1.3
231.58980	0.9
237.18629	1.4
239.14349	4.2
239.20097	3.2
241.21693	2.0
255.19545	2.8
257.15417	7.7
257.21185	6.2
258.15918	1.3
285.20685	21.2
286.20996	2.3
303.21762	100.0
304.22037	7.3
345.09595	1.1
345.13647	1.8
345.22787	24.2
346.23105	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	347.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	3.3
57.03053	1.2
57.03321	19.5
59.01247	2.3
61.98698	19.8
67.01743	1.2
68.99700	1.0
71.01254	6.3
71.50944	1.2
72.99169	2.0
73.02821	2.8
74.98971	1.6
83.01257	7.7
84.02042	1.5
84.10909	0.7
85.02821	100.0
86.03164	2.2
87.00751	0.8
96.95885	1.0
99.00748	1.2
101.02322	4.3
111.00761	28.2
112.01035	0.7
129.01825	38.9
134.09639	11.4
141.09102	7.3
148.71733	0.6
161.04463	3.0
162.50403	0.8
170.80602	0.7
187.02458	1.1
190.12305	14.4
194.06400	2.3
201.04109	0.7
205.03465	22.9
206.03745	0.8
223.04543	6.0
236.16483	1.0
237.16911	3.1
240.80069	0.7
261.19641	4.9
286.19452	0.9
303.21878	3.4
317.71875	0.7
347.13214	1.2
347.20746	2.9
347.24408	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	345.207
Annotation	(-)-Calycanthine
Peak:m/z	Relative Intensity
59.01222	0.5
71.04885	0.6
79.01790	0.6
85.06449	1.7
87.04395	0.6
95.04894	0.6
97.02808	0.5
106.76429	0.4
107.04908	0.9
109.06452	1.1
111.04400	7.2
118.85801	0.4
121.02861	0.5
123.04420	1.3
123.08023	3.4
135.04407	0.5
147.11801	0.5
149.02428	0.5
151.03915	2.7
161.09631	0.6
163.03903	0.7
164.04675	1.2
165.01767	0.6
165.05486	0.5
165.09114	2.2
166.02649	1.4
177.01823	0.7
177.12767	1.7
185.69272	0.4
188.08279	0.6
189.09218	0.5
190.02646	0.5
191.03397	1.4
191.07066	1.7
193.04987	1.2
193.08621	0.8
203.07066	1.5
205.08664	0.5
206.09450	0.9
207.17514	0.6
208.07349	4.6
209.07927	0.8
209.72455	0.5
215.10712	0.9
219.06572	6.1
221.08130	18.0
222.08617	2.0
231.17535	1.4
233.08144	6.6
233.15367	2.4
234.08853	1.9
245.19118	0.8
247.09747	0.7
261.11252	2.5
275.13458	0.7
275.16510	5.3
299.20297	2.3
301.14365	0.8
301.21765	6.2
302.22043	0.6
321.32996	0.5
327.19656	1.2
345.20673	100.0
346.21033	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	345.2041
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26200	0.7
59.01221	0.9
66.39921	0.6
71.05928	0.8
71.06255	1.2
81.03323	1.5
81.96041	0.9
82.26923	0.7
93.02787	1.1
93.03327	13.6
95.04884	1.0
100.76985	0.6
107.04221	0.8
107.04911	9.7
109.06482	0.8
119.04895	0.9
121.06441	1.9
123.07990	1.3
125.53399	0.7
127.07541	1.0
147.07985	2.9
148.01285	1.4
161.09615	2.6
163.11160	1.6
187.03711	1.3
201.08908	0.9
203.10510	1.7
215.10445	2.1
221.11530	1.2
223.13033	1.2
225.16486	1.0
227.17957	4.6
231.09993	9.5
233.07889	1.4
233.11586	1.3
235.09454	1.3
243.09813	1.2
245.19104	10.2
246.19447	1.0
261.10974	2.3
265.10571	1.2
267.11862	1.5
283.13104	2.9
293.14987	0.8
295.16727	3.4
313.17828	100.0
314.18201	8.4
345.20432	64.3
346.20828	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	345.1837
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01262	86.9
64.43162	16.8
66.11135	18.7
69.05817	17.5
71.38901	26.3
78.95782	26.7
123.04398	30.1
128.31764	18.4
146.60771	16.4
149.61813	17.0
154.55127	18.9
164.71941	17.1
254.24748	19.3
270.40958	17.5
289.80685	18.2
291.19586	43.2
309.17407	31.2
309.20718	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	345.1835
Annotation	Unknow
Peak:m/z	Relative Intensity
57.38838	22.6
59.01230	59.6
66.87651	22.5
70.65018	47.2
79.96471	21.0
81.68649	22.2
85.39631	20.6
95.64816	26.3
118.11966	22.6
134.42017	19.7
231.10176	43.5
291.19684	100.0
309.20682	80.6
345.20758	31.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1552
Annotation	Kankanoside A
Peak:m/z	Relative Intensity
51.63203	1.3
55.01752	1.7
57.03322	8.1
58.00464	2.4
59.01254	37.5
67.01771	2.7
69.03324	1.7
71.01250	28.0
71.01617	2.0
71.04903	1.6
71.50340	2.0
72.01611	1.8
72.99194	5.4
73.02782	3.7
75.12457	1.4
83.01261	6.3
84.02020	1.9
85.02827	45.4
87.00736	3.4
89.02316	19.9
95.01232	2.0
95.08544	38.6
96.08858	2.2
97.06503	2.4
98.39237	1.5
101.02319	20.2
109.02845	2.9
111.00761	14.9
113.02345	8.4
115.14701	1.7
118.06499	4.4
119.03385	9.3
120.08071	6.8
121.10127	26.2
122.10485	1.5
123.04426	1.6
129.01816	15.9
136.07581	5.0
137.09645	5.3
139.07556	8.9
143.03461	1.5
147.02875	2.2
161.04535	2.8
165.09135	100.0
166.09503	4.2
171.10143	3.2
179.05550	2.2
181.92355	1.7
183.10223	15.1
201.11217	1.8
205.03485	16.2
216.45636	1.7
223.04555	39.3
253.14484	3.6
277.93332	1.6
283.14594	8.2
302.10321	2.4
345.15573	67.2
345.22589	34.5
346.15985	5.7
346.23090	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	345.1342
Annotation	Gibberellin A34-catabolite
Peak:m/z	Relative Intensity
50.76457	0.5
54.45912	0.5
57.03323	0.6
59.01243	1.2
60.99168	1.9
61.79059	0.6
71.01242	1.3
71.45325	1.1
85.02799	0.6
122.82598	0.6
127.25204	0.6
153.73781	0.5
161.09615	1.5
171.08060	9.8
172.08389	0.9
183.08012	0.8
185.13264	0.6
189.09117	2.2
191.15669	0.6
197.09706	0.6
200.12033	1.0
201.12727	0.6
203.87114	0.6
211.11101	1.2
211.14780	0.8
224.11980	2.0
227.14375	0.9
229.15930	15.2
230.16241	1.9
237.12772	3.9
239.14377	40.5
240.14732	4.0
253.12282	1.3
255.13904	1.4
256.11005	1.1
257.15436	100.0
258.15775	9.5
283.13379	15.3
284.13745	1.4
301.14429	13.0
302.14838	1.2
345.13400	14.9
346.13803	1.8
366.62491	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1189
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	2.8
57.03322	11.5
58.31990	1.3
59.01258	6.2
59.19936	1.3
60.46176	1.5
69.48031	10.5
71.01267	7.2
71.91177	1.3
72.99189	2.2
73.02805	3.0
75.00736	2.7
76.61726	1.3
83.01236	7.0
84.02035	1.8
85.02818	66.2
86.03156	1.8
91.48479	1.4
95.67770	1.5
101.02340	6.4
111.00760	29.0
112.18760	1.2
114.38451	1.2
117.85634	1.3
125.02256	1.2
129.01826	21.4
133.27832	1.5
147.02875	3.6
148.38078	1.2
187.02345	2.0
205.03448	33.8
223.04533	100.0
224.04913	3.0
345.22586	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	345.109
Annotation	Miraxanthin-V
Peak:m/z	Relative Intensity
51.06065	0.4
59.01253	2.6
61.63586	0.3
68.99693	0.3
70.33916	0.3
71.01277	0.7
71.06969	0.3
71.50455	0.5
72.99193	0.5
80.04901	0.5
81.03304	0.3
83.04885	0.5
84.04414	1.0
85.02803	0.4
89.02327	1.0
94.02876	0.4
94.06523	0.5
95.03648	1.9
96.00803	0.4
96.04440	0.7
96.08079	0.8
97.01531	0.4
99.19544	0.3
101.02338	1.1
104.04926	1.5
106.06509	3.9
107.01244	0.5
108.04446	0.3
110.05972	0.4
112.03897	0.7
113.02335	0.5
119.03376	0.4
120.99542	0.6
121.10110	0.4
122.06012	2.3
123.03113	0.7
123.04397	0.6
124.07556	4.7
125.02351	0.5
132.04437	32.3
133.05238	16.0
134.06032	5.3
138.05518	0.7
146.02409	0.4
148.03903	1.7
150.05482	1.6
159.65465	0.3
160.07637	0.4
161.04529	0.3
165.04216	24.5
165.09007	0.5
166.04601	0.8
167.03387	1.5
176.03421	1.3
176.07088	0.7
177.04208	3.3
178.05020	1.8
178.99748	1.1
184.07564	1.0
185.08421	0.7
186.05368	0.4
186.09154	3.9
187.05049	0.6
187.08662	0.7
189.31699	0.4
198.09206	1.0
206.99348	0.9
209.03210	5.5
210.03589	0.5
212.10799	0.8
213.06633	3.2
214.12317	7.0
215.11797	6.4
226.07457	1.4
227.08209	0.7
229.09720	3.4
230.10036	0.4
239.12004	0.5
240.10228	1.5
241.09763	2.9
242.10034	0.5
255.11414	1.0
257.12918	22.4
258.13156	2.0
283.10834	8.3
284.11203	0.5
301.11911	20.4
302.12305	1.4
327.03622	2.4
327.09790	1.7
345.10886	100.0
346.11179	9.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1191
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84661	1.2
55.01513	1.3
55.01760	3.7
57.03325	16.7
59.01247	4.8
69.21444	9.0
69.21857	3.1
71.01254	9.9
72.99179	2.1
73.02832	2.5
74.98046	1.2
75.00745	2.8
81.83401	1.4
83.01258	8.4
84.02035	1.3
85.02826	85.9
86.03153	2.1
87.00741	3.1
98.20578	2.4
101.02329	8.1
111.00766	40.1
111.01495	2.6
129.01834	28.3
147.02910	2.9
205.03484	39.3
205.05437	2.1
223.04550	100.0
224.04956	3.4
293.59930	1.2
345.05295	2.1
345.22824	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	345.1091
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47680	1.0
54.56704	1.0
59.01245	8.5
69.48089	6.4
71.01252	5.8
73.02807	1.0
81.03323	2.4
83.01236	1.2
84.04428	2.2
85.02814	3.7
89.02309	3.9
89.63878	1.0
94.06506	1.5
95.03642	4.7
98.20577	2.0
99.04348	1.3
101.02316	3.0
103.34428	1.0
104.04922	1.9
106.06501	6.3
111.42901	1.0
112.03902	1.4
113.02337	3.2
119.03382	1.9
121.10083	2.9
122.05995	4.7
123.04449	1.1
124.07579	8.0
132.04448	52.2
133.05247	26.8
134.06007	9.5
138.05489	1.9
148.03944	3.8
150.05449	2.5
157.28685	1.0
165.04225	45.4
166.04518	1.6
167.02100	1.4
167.03424	10.4
171.06844	1.0
176.07080	1.4
177.04221	5.1
178.05003	4.0
184.07645	1.3
186.09152	7.3
189.62474	1.1
198.09198	1.9
201.10054	1.0
209.03223	8.7
213.06612	6.1
214.12306	10.7
215.11906	10.6
223.68625	1.0
226.07430	1.8
227.08266	1.5
229.09850	5.5
232.34801	1.1
235.02565	1.5
240.10304	2.7
241.09802	6.0
253.52956	1.1
255.11365	1.9
257.12930	46.3
258.13287	3.0
283.10870	12.3
284.11349	1.3
293.08228	1.7
301.11948	31.4
302.12274	3.2
327.09845	2.4
340.26862	1.0
345.10910	100.0
345.15088	4.5
346.11227	10.8
367.30841	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	345.0823
Annotation	Methyl gallate 4-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
58.67477	0.6
59.01243	2.3
69.03310	1.7
69.24531	0.6
71.01266	1.5
71.50080	0.9
77.03813	1.0
81.27817	0.6
83.01250	2.2
84.49022	0.6
85.02828	1.0
93.39552	0.6
95.01254	0.7
97.02819	1.3
99.00758	1.5
109.02857	0.9
111.00758	2.0
121.02823	1.9
125.02361	0.7
137.02324	5.1
139.00240	2.2
139.03951	1.1
140.01064	1.3
141.01833	2.9
153.01845	3.6
165.01852	7.1
165.99026	3.0
166.02466	0.5
166.99693	1.9
181.01331	7.6
182.02118	100.0
183.02896	90.9
183.05624	0.9
184.03194	4.0
194.02132	0.5
195.02858	1.8
195.24467	0.6
195.26236	0.5
327.03589	0.8
345.08246	70.1
346.08643	6.6
362.20840	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2488
Annotation	Tianshic acid methylester
Peak:m/z	Relative Intensity
59.01236	1.2
70.36473	2.9
88.83474	0.8
89.02287	0.9
97.24946	0.8
99.08058	0.9
113.09586	0.9
126.39274	1.0
127.07593	1.0
167.14323	2.8
171.10184	1.0
182.52603	0.7
183.13809	2.4
195.13834	9.3
205.41516	0.8
211.13316	2.1
213.14851	1.0
249.22255	0.9
283.22586	0.9
293.21249	8.4
311.22269	100.0
312.22607	11.3
313.03571	1.3
343.24918	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2488
Annotation	Tianshic acid methylester
Peak:m/z	Relative Intensity
59.01228	1.4
69.30501	2.8
69.30928	2.4
84.84676	0.6
97.06473	0.7
97.57553	0.6
99.08047	0.7
110.64655	0.6
118.15502	0.5
121.10126	12.8
125.09635	1.2
127.11178	1.9
137.09621	2.3
139.11154	0.9
153.09128	0.7
158.47321	0.6
163.40024	0.7
165.09070	0.9
171.10179	68.1
172.10527	3.3
211.13376	1.1
223.04803	0.7
225.14661	0.8
231.09882	1.0
250.25760	0.6
265.95419	0.6
293.21475	0.9
298.24661	0.5
311.42758	0.7
343.24878	100.0
344.25259	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	343.2487
Annotation	Tianshic acid methylester
Peak:m/z	Relative Intensity
59.01241	0.5
60.11670	0.5
61.72394	0.5
69.03344	0.5
98.19843	1.4
99.08024	3.7
113.09631	0.6
113.70522	0.5
121.10114	6.7
125.09595	1.6
127.11189	2.4
137.09619	1.7
139.11176	1.4
162.45465	0.5
164.07533	0.5
165.12704	0.8
169.37651	0.5
171.10175	46.4
172.10518	1.9
193.12253	5.7
194.12679	0.5
211.13301	1.5
225.14864	7.7
226.15234	0.5
243.15987	2.9
243.84966	0.6
281.45175	0.5
289.53638	0.6
293.21173	3.0
294.21185	0.6
311.22266	0.8
325.23978	0.8
343.24857	100.0
344.25217	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	343.2487
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01822	0.3
59.01245	1.7
69.03309	1.4
70.27697	1.3
71.01239	0.6
83.04897	1.2
97.06471	1.4
99.08032	6.4
113.09684	0.5
121.10116	4.5
125.09649	1.0
127.11191	1.1
137.09604	1.5
138.72656	0.4
139.11168	1.7
149.13255	0.5
165.12729	0.7
165.69229	0.4
171.10182	30.3
172.10518	1.6
193.12268	11.5
194.12488	0.7
211.13329	3.1
225.14906	15.7
226.15150	0.7
243.15988	5.8
273.30002	0.4
293.21295	3.4
307.22809	0.4
311.22217	0.7
325.23743	0.8
343.24866	100.0
344.25253	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	343.2488
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	4.1
61.34224	0.5
61.98692	1.4
63.91536	0.6
69.03317	2.6
69.95896	3.0
71.01234	1.7
73.02834	0.7
78.39201	0.5
78.95747	0.6
83.04884	1.9
89.02325	0.7
96.95887	0.6
97.06452	1.3
99.08035	12.1
101.02327	0.8
103.19057	0.5
109.06464	0.6
115.07475	0.8
121.02837	0.8
125.09601	2.7
127.11159	1.0
129.09094	1.1
137.09625	1.3
139.11116	0.7
141.09071	1.1
149.13203	0.7
151.11156	1.5
165.12720	0.8
171.10173	7.4
175.11214	2.1
183.13702	0.7
185.11786	1.1
193.10495	0.9
193.12250	18.0
194.12587	0.8
197.15373	0.7
201.11134	0.6
211.13332	5.1
225.14893	25.7
226.15231	1.5
243.15958	9.5
254.18149	0.5
293.21240	1.4
311.22318	2.1
313.03561	1.0
325.23892	1.4
343.08313	1.4
343.24866	100.0
344.25253	10.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	3.5
59.01250	33.6
61.98657	0.4
62.14688	0.4
69.03304	1.3
69.21361	1.0
69.21769	3.3
71.01254	0.8
71.04883	3.1
73.20274	0.4
82.50541	0.4
83.04890	1.4
84.02088	0.7
85.02812	1.4
85.06467	5.0
87.07976	0.7
89.02304	0.8
95.04868	0.7
96.95874	0.5
97.06445	1.7
99.07998	0.5
111.08025	1.5
113.05953	0.5
113.09541	0.6
115.07532	19.8
116.07861	0.6
121.02831	1.0
121.10065	0.5
123.08029	0.5
123.86923	0.4
129.09053	1.7
133.02829	0.9
139.11183	2.9
141.78401	0.4
143.07016	0.5
143.10646	2.0
157.12260	1.1
163.03906	2.1
164.04642	1.5
165.05516	0.6
178.06302	0.5
179.07095	0.5
180.06506	0.6
181.08505	0.4
196.03787	0.5
207.06519	1.2
210.05188	0.8
229.14392	0.7
237.18491	0.8
255.19667	1.4
269.04593	0.5
283.19119	19.8
284.19345	1.7
297.04099	1.2
301.20190	100.0
302.20575	6.4
313.03561	0.9
325.03793	0.6
343.04642	1.4
343.11978	1.5
343.21237	23.4
344.21442	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	343.2124
Annotation	Gallicynoic acid F
Peak:m/z	Relative Intensity
50.80876	1.3
56.58532	1.4
57.03316	4.0
58.00463	1.3
59.01249	39.4
69.03312	2.4
70.41900	4.6
71.01254	4.4
71.04889	7.3
72.99149	1.4
73.02821	2.3
75.24428	1.4
81.03317	2.0
83.04893	9.4
85.02814	2.7
85.06457	7.0
87.04399	3.0
89.02312	2.4
95.04916	1.9
96.95875	7.3
97.06462	5.0
98.19820	1.5
99.08031	1.7
101.02321	1.9
101.61741	1.2
108.60511	1.3
109.06427	2.7
111.04395	3.0
113.02276	1.2
113.09587	2.2
114.35329	1.2
115.07548	7.6
121.02822	2.5
123.08025	4.8
125.09605	2.3
127.07511	1.6
127.11158	1.6
129.05470	15.5
129.09111	8.5
132.04482	1.3
133.02814	1.3
134.04648	4.1
135.08002	1.5
137.09668	1.6
139.11200	2.2
141.09154	1.7
143.07033	1.4
155.10707	2.5
157.12248	6.2
158.80968	1.4
163.11182	2.0
163.14819	1.5
164.68793	1.2
171.10144	5.3
177.12796	1.9
181.08629	2.9
185.11736	2.8
195.13878	1.6
197.11763	4.1
199.13324	2.0
201.11191	10.9
202.52197	1.5
207.16228	1.3
209.11787	2.6
211.13351	3.5
213.11252	8.6
225.11249	9.1
237.14920	4.0
241.14432	2.0
275.91217	1.3
283.19141	19.7
284.19415	1.2
285.04004	1.8
297.03876	2.1
299.05621	2.7
301.20200	100.0
302.20410	8.7
307.15482	2.1
307.19034	2.8
313.03506	4.4
325.20169	9.7
328.05667	1.8
343.04312	2.5
343.07928	7.3
343.21231	98.3
344.21478	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18058	0.7
53.36900	0.8
59.01246	100.0
60.01591	1.1
71.01253	5.0
71.49907	0.9
73.02829	1.6
85.02832	1.5
89.02319	6.0
96.95872	1.8
101.02317	2.5
113.02355	1.8
119.03399	2.5
159.93333	0.8
343.07401	1.2
343.14313	0.8
343.21292	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	Unknow
Peak:m/z	Relative Intensity
57.03316	3.1
59.01248	36.2
59.17537	0.5
70.97469	1.2
71.01204	1.0
71.04891	4.8
73.02792	0.5
83.04861	0.8
85.02785	1.1
85.06436	2.5
97.06453	1.0
99.08040	4.4
101.05960	3.1
102.47213	0.5
103.61461	0.5
111.08043	1.2
113.05933	0.6
115.06853	0.6
115.07529	7.1
121.68927	0.6
123.08019	0.9
125.09623	3.9
127.07477	0.7
129.05383	0.8
129.09113	18.2
136.01503	1.8
139.11137	1.2
151.03854	1.6
179.14262	0.7
239.20171	1.0
255.19588	1.2
283.19128	19.8
284.19595	1.0
301.20184	100.0
302.20535	7.0
325.20352	0.6
343.11874	1.5
343.21259	23.2
344.21631	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	343.103
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03311	1.2
59.01251	50.1
60.01602	0.8
60.23220	0.8
64.76242	0.8
69.14342	0.9
70.09808	4.0
71.01253	12.0
73.02818	3.8
77.03859	1.2
83.01254	1.0
83.27096	0.9
85.02833	5.8
93.03331	2.6
95.01234	0.9
95.04902	100.0
96.05238	3.6
99.00742	1.0
101.02317	6.2
111.04424	1.5
113.02309	3.0
121.02847	37.6
122.03177	1.0
137.02380	1.2
139.02841	1.7
139.03909	32.5
140.04222	1.2
161.04454	3.9
203.05531	2.0
328.05887	1.0
343.10333	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	343.1397
Annotation	Unknow
Peak:m/z	Relative Intensity
57.27670	0.8
59.01251	100.0
60.01608	0.8
70.83497	0.7
71.01263	6.0
71.04930	0.8
71.06337	2.0
85.02811	0.9
89.02317	6.4
96.95907	1.4
101.02312	1.0
105.93824	0.9
107.33530	0.8
110.50208	0.9
113.02341	2.7
119.03379	2.0
120.07138	1.0
121.02890	1.6
122.03587	0.9
139.04025	0.9
149.02357	5.1
164.04674	1.3
175.03802	0.9
179.05585	1.5
269.08221	0.8
313.10831	3.1
314.11426	0.9
343.07742	1.8
343.12009	3.4
343.21304	2.0
345.15189	1.0
355.72751	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1031
Annotation	Unknow
Peak:m/z	Relative Intensity
57.35493	1.2
59.01250	67.6
71.01256	32.3
71.51236	1.7
72.01603	1.4
72.99166	2.8
73.02820	37.4
75.00724	3.0
76.44142	1.3
81.03330	4.1
83.01264	9.7
85.02847	3.3
87.00752	2.9
89.02309	5.9
93.03330	15.2
96.95889	4.5
97.02835	2.2
101.02320	29.2
111.04410	3.4
113.02332	9.2
119.03382	2.5
121.02846	100.0
122.03174	3.6
130.08681	1.5
131.03380	2.2
135.04443	1.4
138.03117	1.9
139.03911	22.6
143.03444	2.7
149.04445	1.8
161.04469	6.0
175.52852	1.6
181.74025	1.3
203.05501	1.8
258.46310	1.5
299.49271	1.4
343.10559	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	343.0704
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	0.6
68.52152	0.2
71.01251	0.2
71.36144	0.1
71.51360	0.2
71.51765	0.4
73.49279	0.2
79.95603	1.8
92.38235	0.2
96.22676	0.2
96.95889	100.0
97.95792	0.3
98.74397	0.2
99.11282	0.1
101.02325	0.2
105.80208	0.2
108.02008	0.2
133.01437	0.5
150.04091	1.3
163.00609	1.4
169.84634	0.2
181.01712	0.6
188.72916	0.2
200.93559	0.2
212.91167	0.2
223.02773	0.2
343.07016	54.9
343.60132	0.2
344.07397	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	343.0704
Annotation	Unknow
Peak:m/z	Relative Intensity
57.64762	0.5
59.01257	1.8
66.41212	0.6
69.30848	4.4
71.01263	1.3
72.75026	0.6
75.07829	0.6
78.98483	0.7
79.95614	2.0
89.02322	1.4
96.95889	100.0
97.95847	0.6
98.51707	0.6
99.24212	0.5
113.02345	0.7
119.03490	0.7
119.04890	2.0
150.48911	0.5
163.00468	1.7
181.01646	0.8
181.05023	1.0
194.95778	0.6
343.07007	69.8
344.07333	5.3
357.81546	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.0456
Annotation	Aflatoxin-M1-8,9-epoxide
Peak:m/z	Relative Intensity
50.42334	0.3
56.17990	0.3
57.03294	0.4
57.36021	0.3
59.01255	1.7
63.02253	1.0
65.00200	1.8
69.15032	3.9
71.01245	1.2
71.05782	0.3
72.99168	0.8
75.00743	2.8
77.03829	1.6
79.01756	2.0
81.01509	0.4
83.01261	0.5
83.04898	0.4
85.02825	1.7
89.02293	0.4
91.05400	0.3
93.03362	0.9
93.92962	0.4
95.01254	1.1
95.04877	0.5
96.95881	0.5
105.03371	0.5
107.01266	1.3
109.02831	5.2
111.00703	0.4
115.00253	1.1
117.03342	2.2
119.01294	0.7
119.04913	1.7
121.02848	3.4
123.00772	0.5
125.02361	0.4
132.02074	1.0
133.02838	42.4
134.03181	1.3
134.04567	0.5
135.00751	2.9
135.04411	3.1
137.02319	1.5
138.05708	0.3
141.88547	0.4
145.02875	0.9
148.01472	0.4
149.02332	5.6
151.00240	2.0
151.03867	0.9
161.02342	16.8
162.02713	0.6
163.00273	21.7
163.03893	3.7
164.00587	0.6
165.01859	3.9
167.06046	1.5
171.04390	0.4
171.10172	1.1
175.03920	3.6
177.01727	0.5
179.03378	1.4
183.04408	0.4
185.05988	0.9
187.03888	1.2
189.01845	2.3
190.99777	4.2
195.13918	0.6
196.05191	0.5
197.06023	1.3
197.11749	0.6
198.03151	0.7
199.03949	2.8
201.01797	2.5
201.05548	0.5
207.02911	4.4
209.00867	0.6
211.03676	2.5
211.07472	0.4
211.13330	0.6
212.04686	0.6
213.05513	1.5
216.00375	0.4
217.05107	0.4
223.03827	0.4
224.04645	0.6
225.05508	5.0
226.02634	0.7
227.03473	4.3
227.07039	0.5
228.04073	0.5
229.05009	1.5
233.00885	0.7
235.03954	0.5
237.05542	0.4
240.04346	0.8
241.05037	2.2
243.02866	0.4
251.03439	1.8
253.05049	5.9
254.02400	0.4
254.05528	0.6
255.02931	5.6
255.05717	0.5
255.06364	0.4
257.04443	0.4
267.12283	0.5
269.04538	5.7
270.04883	0.5
279.02994	0.9
281.04553	0.7
281.07220	0.4
282.01785	0.4
284.03156	1.1
285.04053	16.0
285.13358	0.5
286.04349	0.7
297.04031	78.7
298.04355	6.5
299.05594	35.9
299.18240	0.4
300.05942	3.3
313.03442	1.6
315.14401	1.0
325.03513	49.0
326.03799	4.0
343.04568	100.0
343.21033	3.6
344.04956	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	343.0458
Annotation	Aflatoxin-M1-8,9-epoxide
Peak:m/z	Relative Intensity
59.01250	0.7
63.02272	1.3
65.00201	3.0
69.34695	2.5
69.35104	0.9
71.01269	0.8
77.03835	2.1
79.01780	2.4
81.14117	0.5
85.02821	0.6
93.03339	1.8
95.01264	1.0
95.04897	0.7
96.95893	0.7
97.02836	1.1
99.00701	0.4
105.03366	1.1
107.01271	1.4
108.02074	0.5
109.02832	4.3
117.03346	3.3
119.01283	0.8
119.04928	1.3
121.02848	3.9
121.49416	0.4
123.00851	0.7
132.02080	1.0
133.02840	53.5
134.03178	2.6
135.00783	3.6
135.04385	3.0
137.02319	1.8
145.02892	0.7
149.02332	7.0
151.00230	2.1
151.03914	1.0
161.02348	17.9
162.02730	0.6
163.00269	26.5
163.03883	2.5
164.00624	1.1
165.01852	3.7
171.04413	0.6
171.10153	1.0
172.48631	0.4
173.02333	0.6
175.03940	4.1
177.01855	1.0
179.03427	1.4
183.04347	0.9
185.06013	0.6
187.03903	1.3
189.01854	2.8
190.99774	5.3
196.05241	1.0
197.06052	2.2
198.03117	0.9
199.03920	3.2
201.01846	3.8
201.05556	0.6
207.02893	4.0
209.00810	1.0
209.05998	0.7
211.03912	3.3
211.13318	1.2
213.05511	2.2
213.50839	0.4
217.49876	0.4
223.04042	0.7
224.04750	1.6
225.05504	6.3
226.02760	1.5
226.05682	0.5
227.03427	5.8
228.03851	1.0
229.05002	1.2
229.14348	0.7
231.06543	0.6
233.00858	0.6
235.03879	0.5
237.05461	0.7
239.03455	0.7
240.04306	0.4
241.04991	3.1
242.02260	0.4
242.05380	0.5
243.02982	0.7
251.03389	1.7
252.04190	1.0
253.05042	8.9
254.05502	0.9
255.02956	7.2
256.03265	0.6
257.04587	0.6
268.03699	0.6
269.04532	6.9
279.03061	1.2
281.04489	0.8
284.03329	1.4
285.04050	20.4
286.04324	1.6
297.04025	98.6
298.04388	8.5
299.05588	30.0
300.05972	2.3
313.03583	1.2
325.03506	56.1
326.03851	4.3
343.04550	100.0
343.21124	6.2
344.04886	8.5
344.21579	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.2647
Annotation	Lauroylcarnitine
Peak:m/z	Relative Intensity
57.03316	3.3
59.01245	16.1
60.99181	3.6
71.01244	8.5
71.50824	2.5
71.51187	3.4
74.02338	100.0
84.04413	2.9
89.02317	7.7
96.95832	3.3
104.03413	24.4
109.17155	2.2
116.90968	2.7
119.03304	2.5
131.29973	2.3
157.26967	2.3
180.05768	2.7
237.22191	16.3
266.24823	9.3
268.26434	4.7
280.26453	27.4
281.26788	4.3
294.24341	19.5
312.25464	52.0
313.03482	7.7
313.25824	4.0
342.11240	3.8
342.26459	84.5
342.30573	5.1
343.08148	9.8
343.26712	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	343.037
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	83.5
68.69454	1.4
69.98481	6.5
72.48766	1.3
157.03481	5.3
159.01379	6.6
201.02483	100.0
202.02702	7.8
218.38419	1.6
343.03790	2.1
344.08054	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	342.1192
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35301	0.4
59.01248	15.4
59.58329	0.3
68.01289	2.6
71.01256	2.3
71.50274	0.5
73.02818	0.8
83.01261	0.7
85.02824	0.8
89.02321	0.4
96.04444	0.5
96.95905	0.6
101.02338	1.1
110.06026	0.4
113.02335	0.4
121.02831	0.4
122.02330	0.8
122.06023	0.4
122.57757	0.4
123.03153	7.5
124.07595	0.5
134.04601	1.1
136.07603	0.5
137.04727	0.6
138.05502	100.0
139.05836	3.6
152.07034	0.7
167.05792	1.3
180.06599	4.4
208.13113	0.4
209.11720	0.6
215.66261	0.4
222.07719	0.5
282.09912	0.8
300.10965	2.7
342.07547	0.5
342.11890	8.7
343.12439	0.6
347.72797	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.2331
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12022	0.7
53.63660	0.8
59.01233	2.8
69.03313	2.5
69.86816	2.8
69.87223	1.5
71.01221	0.9
83.04903	1.0
84.02032	18.0
89.02300	1.7
91.96886	0.7
92.03349	0.8
97.02825	5.8
97.06478	9.1
99.04412	3.8
119.08552	2.0
122.85261	1.0
125.09603	2.3
127.11166	1.6
135.08012	1.5
137.09619	2.4
141.65088	0.9
161.12697	0.8
165.12784	1.3
171.10170	50.2
172.10425	1.6
175.11124	0.9
185.63261	1.0
193.12262	13.5
194.12636	0.9
211.13396	1.7
221.11668	1.3
225.14900	15.7
226.15329	1.1
243.15953	7.0
253.14529	1.4
291.19586	1.7
341.23303	100.0
342.23669	11.3
347.74695	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.2331
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76417	0.7
52.28732	0.8
57.03331	0.7
58.00462	1.1
59.01248	20.2
61.98705	0.7
68.11031	0.7
69.03322	0.9
71.00854	0.9
71.01252	16.1
83.04900	0.8
84.01550	1.4
84.02043	19.6
84.40515	0.7
85.02821	2.2
89.02312	18.2
93.93015	0.7
94.45819	0.8
97.02821	11.6
97.06453	1.0
99.04403	4.6
101.02323	5.5
111.08061	1.0
112.23595	0.7
113.02332	5.0
119.03406	6.4
119.08556	3.4
125.09592	1.0
127.11223	1.5
131.03391	1.2
135.08034	2.3
137.09637	2.5
143.03371	2.4
153.09102	0.9
161.04433	2.0
171.10179	63.6
172.10551	2.9
179.05525	6.8
193.12204	1.4
225.15044	2.0
239.12779	0.8
243.16084	1.3
253.14444	1.4
291.19727	7.8
299.18558	1.7
341.10941	11.1
341.23297	100.0
342.11499	0.8
342.23630	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	341.2331
Annotation	Unknow
Peak:m/z	Relative Intensity
55.98800	0.8
57.03296	0.8
59.01246	17.3
66.00977	0.9
69.03324	2.6
71.01250	8.9
71.51511	1.5
83.04825	0.7
84.02045	13.5
85.02822	2.1
86.69365	0.7
89.02313	11.8
95.04952	0.9
97.02829	5.3
97.06464	6.8
99.04403	3.1
101.02313	4.8
111.08078	1.4
113.02279	4.3
119.03409	5.9
119.08555	1.4
125.09618	2.4
135.08028	1.0
137.09593	0.9
146.35222	0.8
161.04469	1.3
165.12733	1.0
171.10178	38.1
172.10529	1.8
175.11220	1.1
179.05560	4.3
183.13844	1.8
185.11655	0.8
193.12277	10.6
194.12622	1.0
197.15459	1.0
211.13304	3.3
225.14893	15.7
226.15166	1.4
232.53951	0.8
243.15973	5.9
253.14259	1.1
282.12793	0.9
291.19684	2.4
341.11154	4.0
341.23306	100.0
342.23627	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	341.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00960	1.5
59.01250	24.2
61.98701	2.9
65.10847	1.2
70.78745	2.7
71.01249	16.3
74.11337	1.1
83.04883	1.4
85.02824	3.3
89.02312	16.9
95.04897	1.5
95.20795	1.3
97.06442	3.3
101.02321	8.0
113.02328	5.9
113.09625	2.0
115.07520	2.0
119.03371	6.2
120.69160	1.2
125.05975	1.9
127.07529	2.5
129.96033	1.1
136.15076	1.2
139.11223	1.2
141.09123	1.7
143.03319	1.3
161.04483	1.6
165.12709	4.0
167.14270	1.6
169.12253	1.5
179.05591	6.2
179.06848	1.1
181.12201	3.7
186.77336	1.4
193.12167	2.2
194.08206	1.4
195.13739	1.4
211.13260	3.7
221.15520	1.8
240.13800	1.5
240.28664	1.3
247.20679	2.9
273.18494	1.6
291.16385	1.7
291.19647	35.3
292.19949	4.2
309.20688	100.0
310.21042	9.5
319.93500	1.3
341.10806	5.7
341.17688	1.6
341.23199	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	341.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01740	3.4
55.89308	1.7
57.03319	4.4
58.00455	4.4
59.01246	100.0
62.97223	1.8
69.03321	4.4
71.01250	77.0
71.04884	5.6
71.50317	4.1
72.99178	6.6
73.02805	5.8
81.03326	2.8
83.01255	4.2
83.04889	7.5
85.02811	16.5
87.00739	10.0
88.35841	1.9
89.02312	89.8
89.05631	1.8
90.02625	2.5
93.03334	2.6
95.01273	5.4
95.04893	4.5
96.95890	4.0
97.02819	3.3
97.06470	2.5
99.04395	2.8
101.02311	40.1
109.06459	9.2
111.00812	2.2
111.04402	3.0
113.02330	27.6
119.03387	34.0
123.08045	3.4
125.09606	4.5
131.03355	6.6
135.07991	2.3
143.03406	8.7
151.07547	3.2
161.04393	10.4
163.11147	4.0
171.10152	17.3
177.12723	1.8
179.05521	34.6
179.07028	3.6
183.13760	2.8
185.11781	19.1
191.14294	2.4
193.12254	4.2
197.11682	2.9
201.11212	3.6
205.12305	2.4
207.10213	9.1
209.11752	10.1
211.13303	7.6
223.13292	4.1
225.11240	7.1
227.12743	6.0
235.13300	11.0
237.11536	2.5
237.14841	2.1
239.12733	2.4
241.14351	1.9
243.17508	2.4
247.13380	4.4
251.12775	2.7
251.16516	3.7
253.14462	5.1
261.14944	6.8
279.15958	18.1
287.16522	19.8
288.16772	4.3
297.20557	2.6
299.18491	6.1
305.17520	46.8
306.17801	3.2
306.87048	1.9
323.14954	2.8
323.18564	7.7
341.06894	4.1
341.10828	37.5
341.15625	3.3
341.19653	28.3
341.23602	4.2
342.11105	4.6
342.19809	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80272	1.4
52.80534	1.5
54.45232	1.7
55.01758	1.6
57.03301	6.7
58.00464	4.2
59.01245	100.0
62.85164	1.5
69.03317	2.4
71.01251	79.2
71.04867	5.5
71.50835	2.0
72.99177	5.2
73.02813	3.7
75.00746	2.4
81.03308	3.6
83.01268	4.1
83.04901	5.7
85.02826	19.8
85.06458	1.8
87.00742	6.7
88.36462	1.5
89.02311	83.9
93.03360	2.1
95.01264	4.0
95.04889	3.1
96.95895	3.7
97.02807	3.3
97.06445	4.6
99.00735	2.5
101.02322	36.2
107.83420	1.5
109.06448	13.6
110.03626	2.3
111.04378	1.6
113.02322	33.1
119.03380	32.2
119.04761	2.4
121.02840	2.9
123.08021	2.3
125.02271	2.4
125.09584	4.5
129.01819	1.5
131.03403	4.1
135.08049	3.8
137.09578	1.8
143.03391	7.7
151.07541	3.9
161.04414	7.3
163.11151	3.8
165.04030	2.0
167.10677	2.4
171.10146	12.1
179.05534	36.3
179.07022	1.4
185.11726	16.1
191.14304	1.7
193.12172	2.7
195.13885	2.3
197.11850	1.7
201.11249	3.5
207.10147	7.2
209.11707	6.0
211.13341	9.4
223.13220	3.9
225.11299	7.9
227.12991	3.8
233.11690	3.6
235.13303	6.8
235.16914	1.9
237.11151	1.9
241.14403	1.8
247.13379	3.8
251.12909	4.0
251.16383	4.1
253.14372	5.3
261.14963	7.1
279.15985	16.8
279.18735	2.7
287.16431	17.0
293.14059	2.1
297.16992	1.7
297.20346	2.3
299.18607	7.2
305.14267	2.8
305.17560	42.0
306.17749	4.0
323.14822	2.8
323.18451	7.5
341.06967	3.3
341.10925	38.9
341.15549	3.9
341.19608	23.7
341.23325	3.7
342.11301	3.6
342.19986	2.6
349.70398	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	341.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91557	3.8
53.66289	4.1
54.51359	3.4
57.03307	5.1
58.00440	5.6
59.01247	75.9
65.91550	3.3
66.60425	3.7
69.61401	16.0
69.61811	6.5
71.01242	51.8
72.99171	4.4
75.00732	13.7
80.44801	3.9
82.18173	3.5
83.01230	5.0
83.04887	3.9
85.02804	13.2
87.00734	4.8
89.02316	54.5
95.04893	7.4
101.02304	19.1
108.02044	6.3
109.06464	14.1
111.00755	12.5
113.02322	20.3
113.23608	4.1
119.03403	19.6
121.02869	5.5
121.06503	4.2
129.01793	14.5
135.11661	10.8
136.05200	9.1
143.03397	5.5
149.02437	3.5
161.04457	7.0
165.09195	4.4
179.05533	21.0
179.10704	57.7
187.11215	4.3
189.12756	6.1
203.14389	4.4
205.12180	8.4
207.13666	5.2
209.11671	5.5
211.13358	38.1
217.15816	4.1
223.13303	13.8
225.14888	4.4
233.11884	4.4
235.13310	16.6
237.14824	4.9
245.11751	15.7
247.13417	23.6
249.14749	6.7
251.12830	100.0
252.13164	6.1
253.14401	7.4
259.13309	14.6
261.15128	5.6
263.12836	30.4
265.14401	14.2
277.14420	16.2
281.13934	11.1
283.05908	6.5
287.12854	7.9
293.13940	15.5
295.15225	5.1
297.04053	7.0
305.13913	33.8
311.15085	5.0
323.05606	5.0
323.14847	24.2
324.15683	4.0
341.06549	25.7
341.10913	23.3
341.15842	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	341.1241
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32021	1.1
53.50784	1.3
57.03302	1.7
59.01250	100.0
60.01576	1.5
69.68799	2.4
69.69189	7.8
71.01252	60.7
72.99185	2.9
73.02818	41.7
74.03144	1.3
83.01252	11.9
85.02830	9.8
87.00758	3.5
89.02315	39.5
95.01244	3.9
98.19810	2.6
101.02322	45.8
113.02325	18.9
119.03398	13.9
119.04909	20.6
120.05354	1.4
121.02811	1.3
125.02349	1.6
131.03392	3.6
137.05986	2.2
143.03384	4.0
149.04468	1.8
161.04468	5.4
179.05560	9.4
239.07025	2.3
256.08728	1.2
266.69138	1.2
267.06546	3.2
281.10349	5.2
299.11316	1.4
311.05588	1.4
313.21005	1.4
326.07800	1.4
326.11447	1.4
341.10593	18.6
341.19604	2.1
342.10800	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	341.0878
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57281	0.6
52.09827	0.6
57.03325	0.6
58.00480	0.9
59.01249	13.4
70.00718	2.2
71.01252	9.8
72.99186	0.7
85.02808	1.8
87.00728	1.0
89.02321	7.9
93.03354	0.9
98.20509	0.9
101.02322	4.6
107.04945	1.1
113.02338	2.9
119.03412	2.7
125.49841	0.7
126.43916	0.6
134.03621	2.7
135.04414	100.0
136.04752	4.1
140.50246	0.7
143.03432	1.1
161.04564	0.8
179.03418	72.1
180.03749	2.7
217.02435	0.7
279.17429	0.6
281.12549	0.7
338.00116	0.7
341.11340	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1089
Annotation	Trehalose
Peak:m/z	Relative Intensity
55.01752	1.3
57.03321	1.5
58.00463	3.8
58.29229	0.6
59.01252	100.0
60.01580	1.1
69.63734	3.4
71.01254	72.2
72.01616	1.0
72.99170	4.3
73.02831	2.6
75.00755	0.7
83.01269	2.2
85.02830	9.5
87.00750	5.3
89.02319	92.4
90.02660	1.8
95.01279	4.9
101.02324	36.3
102.02690	0.8
113.02334	30.6
114.02682	0.9
116.56252	0.6
119.03391	36.8
120.03715	0.6
125.02297	1.0
131.03415	5.6
133.08626	0.6
135.04445	3.5
138.11211	0.6
143.03406	9.4
144.03778	0.5
149.04474	4.4
155.12424	0.5
161.04475	11.9
165.04103	13.0
170.18858	0.6
179.05537	37.3
180.05827	0.9
184.64833	0.6
300.11322	0.6
302.54831	0.6
310.02933	0.6
316.54492	0.6
341.10886	42.5
342.11172	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	341.0877
Annotation	Caffeic acid 3-glucoside
Peak:m/z	Relative Intensity
50.54438	1.1
51.02637	1.0
52.28119	1.0
55.01760	1.7
56.40783	1.2
57.03315	6.9
59.01250	10.9
59.05799	1.0
68.99703	1.1
69.40448	2.1
69.40854	5.0
71.01246	9.8
73.02837	1.4
73.86669	1.1
75.00745	3.4
83.01251	3.0
84.02041	1.1
85.02823	42.3
86.03144	1.0
87.00744	1.9
89.02313	7.4
93.03316	1.7
94.50159	0.9
101.02319	6.1
111.00764	16.5
113.02343	1.9
119.03381	2.1
119.04932	1.8
129.01825	17.9
134.03618	1.3
135.04407	77.8
136.04727	1.6
137.02328	3.3
140.96318	1.1
161.04475	1.5
163.03923	2.4
177.03912	3.2
179.03413	100.0
180.03720	3.3
192.36107	1.1
195.05061	9.5
205.03471	16.4
210.03133	1.1
223.04533	43.3
224.04904	1.3
234.62820	1.1
266.72119	1.1
335.65320	1.2
341.08405	13.3
342.08978	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0875
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	4.7
57.03321	18.7
59.01250	17.4
64.36366	1.1
67.01732	1.4
68.99680	1.4
70.09698	5.5
71.01246	22.0
72.88440	1.1
72.99176	2.6
73.02827	2.7
75.00735	3.7
78.95806	1.6
81.03331	1.7
83.01252	13.2
84.02058	1.7
85.02817	100.0
86.03165	3.5
87.00754	2.1
89.02296	9.1
90.98479	1.8
91.05395	1.3
95.01263	1.8
97.02824	2.7
98.20502	1.2
101.02322	12.9
104.92839	1.2
107.01254	2.0
109.02806	2.5
109.27154	1.2
111.00762	32.1
113.02319	3.5
119.03358	3.4
120.13638	1.4
121.02057	1.1
121.02849	4.9
125.02333	8.0
129.01828	32.6
130.35735	1.0
133.02794	2.4
135.04401	1.5
137.02357	2.0
143.03362	1.6
147.02892	3.2
149.02335	5.1
149.99467	1.1
151.00240	1.6
161.04398	5.6
163.00244	3.6
165.01862	3.7
177.01839	1.5
179.00121	1.7
179.05515	6.1
190.99777	2.1
193.01318	15.0
194.01564	1.5
205.01585	1.2
205.03458	36.3
206.03978	1.6
221.00835	4.1
223.04527	79.8
224.04820	3.4
283.87555	1.5
285.04062	2.5
297.03952	1.4
313.05661	5.3
341.02750	1.4
341.05432	14.6
341.11102	2.7
341.16138	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	341.0875
Annotation	Caffeic acid 3-glucoside
Peak:m/z	Relative Intensity
57.03313	2.8
57.03586	0.6
58.00467	0.6
59.01250	12.1
71.01253	11.4
72.99153	0.9
75.00735	2.2
79.88443	0.7
83.01255	2.6
85.02825	17.1
87.00759	1.4
89.02315	10.9
89.02839	1.1
93.03323	1.1
101.02322	5.5
101.04579	0.6
102.02752	0.8
103.16402	0.6
107.04904	1.0
111.00783	4.7
113.02311	3.0
119.03378	3.0
119.04912	2.4
122.69024	0.7
129.01839	5.9
131.03362	0.8
134.03645	2.7
135.04413	96.0
136.04776	3.6
137.02309	2.1
138.05511	2.9
143.03383	0.7
156.93254	0.7
160.70891	0.7
161.04482	1.4
163.03909	2.2
169.19408	0.7
177.03951	3.3
179.03419	100.0
180.03769	3.3
186.71783	0.7
195.05045	4.9
205.03470	4.9
223.04533	13.7
341.08350	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	341.0877
Annotation	Caffeic acid 3-glucoside
Peak:m/z	Relative Intensity
59.01249	20.4
60.99211	1.2
71.01255	18.3
71.49731	2.8
71.50074	1.3
72.99205	1.6
83.01200	1.4
85.02825	3.4
87.00744	2.5
88.11942	1.2
89.02306	23.5
91.05407	1.5
93.03344	1.7
99.00722	1.4
101.02327	9.1
107.04903	1.3
113.02337	7.3
119.03373	7.5
131.03319	1.3
134.03612	2.9
135.04411	93.5
136.04727	4.4
137.02296	1.8
143.03374	2.7
161.04495	3.6
163.03972	2.1
179.03412	100.0
179.05476	8.0
180.03751	5.5
180.44756	1.3
195.05009	2.2
241.69463	1.3
245.24646	1.2
291.14920	1.4
340.68985	1.3
341.08594	7.4
341.10913	5.7
363.59967	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	341.0738
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20224	0.3
53.59869	0.3
55.26601	0.3
59.01254	6.6
69.77300	0.3
70.98280	0.6
71.01256	4.9
72.99168	0.6
84.00810	0.6
85.02811	0.7
89.02321	6.0
101.02345	2.8
101.54078	0.3
105.58120	0.3
113.02345	1.9
118.73508	0.3
119.03384	2.8
122.03489	1.2
124.21803	0.3
135.04407	1.1
143.03400	0.4
149.04559	0.8
150.01762	1.0
151.02524	0.9
151.81140	0.4
156.70445	0.3
161.04468	1.2
163.06174	0.9
164.04555	0.5
165.04097	100.0
166.04503	2.5
179.05565	2.8
181.07227	0.8
203.05582	0.3
207.05145	2.9
208.06396	0.4
283.06763	1.8
297.08340	1.5
341.07510	2.6
341.10788	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	339.2538
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01243	3.5
62.46962	0.6
69.56615	3.5
71.01252	0.6
77.07862	0.6
77.55848	0.6
89.02295	0.6
98.57964	0.5
101.02315	0.7
110.87317	0.5
127.11147	1.1
163.11134	3.8
165.12822	0.7
167.10760	0.6
183.01125	1.3
195.13910	0.6
249.22148	1.2
282.00873	0.6
293.21265	7.6
294.21674	0.9
309.20679	2.3
310.21497	8.4
311.22006	1.9
328.81509	0.8
339.25400	100.0
340.25705	10.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2539
Annotation	ent-13E-Labdene-2alpha,3alpha,8alpha,15-tetrol
Peak:m/z	Relative Intensity
59.01251	26.1
67.78469	3.8
71.01234	4.6
71.42520	6.4
79.68786	4.0
79.71356	3.3
86.94511	4.1
95.04956	4.7
97.06482	6.5
99.08025	9.6
111.08046	4.8
126.06725	15.7
127.07580	36.4
128.08324	64.0
129.09082	8.5
137.91829	3.9
160.07262	7.7
163.11192	21.5
165.12761	38.9
171.29634	4.0
177.12743	4.5
183.01164	27.1
195.13829	14.7
197.02684	20.9
249.22256	6.3
275.20172	9.6
288.59198	4.3
291.19766	6.1
293.21219	73.3
311.22202	25.2
321.24243	12.1
339.19901	88.5
339.25299	100.0
340.20151	9.0
340.25671	9.5
342.86639	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	339.2539
Annotation	Unknow
Peak:m/z	Relative Intensity
58.64584	0.6
59.01258	3.4
70.80576	1.8
71.01254	1.4
83.04905	0.6
95.06871	0.6
97.06490	0.6
111.07977	0.7
113.02322	0.8
125.09584	5.4
127.07580	1.0
134.11545	0.8
139.11127	1.3
163.11171	9.3
165.12761	2.0
167.10669	3.3
168.11377	0.8
181.12268	2.4
183.01178	0.7
197.11751	8.3
198.12068	0.8
232.49879	0.6
247.20590	0.8
249.22252	1.0
265.21613	0.7
273.18509	0.7
274.72748	0.7
275.19989	0.9
291.19644	39.2
292.19894	5.5
293.21234	15.9
294.21606	1.1
305.21494	0.7
309.20621	5.6
310.21448	10.5
311.22083	3.8
321.24222	0.8
324.17624	1.3
339.20151	5.6
339.25385	100.0
340.25745	12.4
342.20428	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2327
Annotation	Dimethisterone
Peak:m/z	Relative Intensity
51.03899	0.4
51.23981	0.3
53.84568	0.4
54.82185	0.3
58.72672	0.3
59.99706	0.3
60.98753	0.4
61.59781	0.3
69.71725	0.4
69.94936	1.4
114.43661	0.3
134.12779	0.4
147.08131	0.5
163.11206	100.0
164.11555	3.9
183.01060	0.4
188.32211	0.3
218.53249	0.4
335.91745	0.4
339.23285	50.5
340.23627	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	339.1995
Annotation	Unknow
Peak:m/z	Relative Intensity
56.57606	1.7
57.03323	1.8
59.01244	9.6
60.65022	1.5
66.44440	1.5
71.01234	4.5
71.50149	2.3
99.21415	1.8
102.55260	1.6
127.01717	1.7
138.38205	1.6
155.08890	8.6
162.38290	1.7
163.11162	10.7
167.10707	1.8
181.12331	2.3
183.01135	4.0
195.08406	4.7
196.09154	2.9
199.07932	10.4
201.09447	4.9
212.09967	2.0
220.44507	1.6
221.11757	2.7
291.19662	30.6
293.21170	7.0
305.21201	4.1
324.17593	66.0
325.17850	5.0
339.19894	100.0
340.19934	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	339.2176
Annotation	Plakorstatin 1
Peak:m/z	Relative Intensity
57.03322	9.9
59.01261	39.9
59.07196	4.2
66.63068	4.4
69.13898	4.3
71.01260	15.5
71.04920	4.4
71.50420	5.0
73.02799	7.1
83.04910	5.7
95.04876	5.9
97.06470	16.5
101.02368	9.8
109.06470	5.2
110.33940	4.4
111.08041	8.9
123.00788	4.7
123.04400	5.1
149.05951	20.9
151.11169	10.0
155.10631	4.5
163.11203	27.9
165.12749	21.2
179.10756	6.1
181.12224	17.5
183.01093	16.8
188.08368	11.6
191.10698	11.5
191.14297	6.6
203.10722	7.2
207.10074	6.1
209.11757	56.6
239.12798	15.0
245.19093	13.3
279.10825	9.9
289.18039	19.8
307.19025	27.0
339.16290	24.2
339.21735	100.0
340.20108	30.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1809
Annotation	Unknow
Peak:m/z	Relative Intensity
55.09222	1.0
57.18270	1.1
59.01234	2.9
71.50381	1.2
71.50798	1.8
72.99174	3.6
97.06484	6.0
125.05979	21.0
125.09541	1.4
143.07034	72.5
144.07339	2.0
151.11189	14.1
169.12248	100.0
170.12569	4.9
179.09026	1.2
180.52892	1.2
183.01074	3.9
189.28073	1.2
209.90036	1.2
213.11256	96.0
214.11586	6.5
245.19046	2.1
339.18399	9.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1995
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	1.1
59.01241	2.5
71.30119	1.4
72.97370	0.7
76.92092	0.5
78.84026	0.6
113.04216	0.8
125.09630	1.4
141.03688	1.0
144.70744	0.6
146.19911	0.6
163.11258	2.9
165.12787	4.7
181.12259	1.2
183.01125	0.6
192.19090	0.6
195.08415	0.9
217.15891	1.3
223.13234	0.8
247.20650	1.2
270.13004	1.0
273.18512	2.1
291.19650	100.0
292.19952	10.1
293.21201	16.1
294.21674	1.0
305.21146	1.1
324.17542	2.4
326.73853	0.6
339.19986	15.9
339.23865	1.6
340.20267	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	339.1598
Annotation	16beta-Hydroxy-3,11-dioxopregna-4,17(20)-dien-21-oic acid, gamma-lactone
Peak:m/z	Relative Intensity
70.25695	2.2
80.82854	0.6
116.10947	0.6
121.02807	0.8
134.03619	3.2
149.02339	2.6
149.05980	4.1
161.02335	2.1
189.09125	0.9
212.08238	0.9
225.09146	86.3
226.09505	6.0
237.09160	19.6
238.09480	1.4
239.10762	1.8
240.11433	0.9
272.10577	1.0
279.13718	0.6
281.08282	1.1
295.17017	62.9
296.17328	6.7
326.94028	0.6
339.15982	100.0
340.16333	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	339.1229
Annotation	Obovaten
Peak:m/z	Relative Intensity
50.21350	0.8
59.01245	4.7
61.01427	0.7
62.09859	0.7
66.44440	0.7
67.17969	0.7
71.01281	1.6
71.52629	1.3
81.04677	0.7
83.31586	0.7
84.82327	0.8
90.06322	0.7
95.26909	0.9
101.02379	0.8
117.03381	1.3
135.06593	0.9
145.02840	4.8
146.03673	1.2
163.03946	1.5
179.07100	1.3
191.08670	2.3
207.08078	2.6
209.05951	1.0
217.06558	2.8
219.08151	2.9
220.33301	0.9
221.06001	4.2
223.07607	0.9
225.05524	1.4
225.09204	1.2
233.06090	1.9
234.06866	3.0
235.07584	7.1
236.08231	1.8
237.05354	1.0
237.09242	2.4
239.07082	1.6
245.06041	2.4
246.06761	2.1
247.07588	2.4
249.05609	0.8
251.07228	2.2
252.07828	1.1
253.08740	5.3
262.06311	2.4
263.07092	20.4
264.07614	3.6
265.08646	2.6
267.10251	1.0
268.10995	2.1
273.05515	1.6
274.06277	1.0
275.07092	2.8
279.06619	1.9
279.10843	1.1
280.07419	3.2
281.08176	31.7
282.08499	2.9
291.06583	7.8
292.07275	3.1
293.08197	9.0
294.08997	3.6
295.09695	1.8
296.07364	1.3
296.10333	4.7
307.09808	4.6
308.07120	1.4
308.10501	7.9
309.07672	100.0
309.10815	4.2
310.07993	10.8
323.09225	28.9
324.09982	73.2
325.10272	4.9
339.08853	3.2
339.12341	65.5
340.12662	8.2
343.98648	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1236
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08685	0.7
59.01358	2.4
69.25561	6.0
69.25966	1.6
78.95870	1.3
79.75875	0.6
84.84530	0.7
85.02943	0.7
87.47603	0.7
109.02965	0.8
117.03451	1.5
128.51251	0.7
133.02966	2.0
145.03004	2.9
157.02965	0.8
158.65257	0.8
159.04501	0.7
161.02481	0.7
163.04044	1.2
167.04770	1.6
167.06076	11.5
167.07375	0.9
179.07132	1.3
179.08562	0.8
189.07028	0.9
191.08707	2.2
193.06551	0.8
195.08200	1.2
197.07286	2.4
205.06757	0.8
206.07401	0.9
207.07997	3.4
209.07231	7.7
217.06659	2.7
218.07301	1.1
219.08260	3.0
220.05292	1.4
221.06126	3.0
223.07675	1.1
224.04910	1.6
225.09169	1.8
233.06126	1.6
234.06981	2.4
235.07610	7.3
236.08371	2.1
237.05615	0.8
237.09282	1.9
238.09912	2.6
239.07176	1.3
240.07735	0.9
245.06139	2.9
246.06900	2.1
247.07663	2.6
247.13486	1.6
248.04747	1.5
250.09850	0.9
251.07176	1.7
252.07938	1.3
253.08720	5.8
261.05524	1.0
262.06390	1.7
263.07132	23.6
264.07742	3.0
266.09326	1.4
268.07620	1.2
268.11005	5.7
273.05508	0.8
274.06317	1.6
275.07095	2.2
276.07913	1.4
277.08347	0.7
278.09351	9.9
279.06668	1.1
280.07449	2.8
281.08191	33.6
282.08600	3.1
291.06659	8.1
292.07343	3.6
293.08206	9.0
294.08939	4.5
295.09698	2.0
296.10492	7.4
307.09732	3.2
308.07150	1.5
308.10529	6.2
309.07687	100.0
309.10837	4.2
310.08069	11.3
311.05533	1.7
323.09253	22.6
324.09988	56.7
325.10333	6.0
339.05063	4.8
339.12305	52.1
340.05444	1.4
340.09265	9.9
340.12753	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	339.0871
Annotation	Piperphilippinin IV
Peak:m/z	Relative Intensity
54.90727	4.7
56.94650	4.4
59.01244	48.6
61.98703	7.6
69.85045	24.0
71.01245	9.5
101.02304	9.7
121.02837	80.8
126.39515	4.6
147.04408	100.0
157.22888	4.8
161.04355	6.0
163.11165	7.1
167.47380	5.2
183.01070	7.9
193.10104	52.9
203.15262	4.8
207.07988	5.4
207.11739	12.5
221.09700	8.8
223.07544	7.6
251.07117	21.6
251.10641	32.7
279.10809	6.9
295.09723	99.5
296.10138	12.4
303.15173	4.8
315.06488	4.7
322.20160	6.4
322.72781	6.3
339.08664	97.5
339.12589	12.5
339.22073	9.8
340.09064	13.9
359.11865	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	339.1235
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67980	0.7
52.17357	0.8
53.10299	0.7
59.01245	2.9
69.23146	7.0
69.23554	1.9
71.01241	1.0
80.89639	0.8
90.68777	0.7
117.03302	1.1
122.90496	0.8
145.02898	4.8
146.03609	1.1
163.03891	1.9
179.07053	1.9
191.08585	2.0
193.06453	1.1
195.08185	1.0
205.06604	1.3
207.08092	3.7
217.06509	3.7
218.02592	0.8
218.07326	2.6
219.07941	3.9
220.05305	1.0
221.05978	3.9
223.07579	1.1
224.08330	1.2
225.05579	1.1
225.09119	2.2
225.63237	0.9
233.05951	2.4
234.06740	2.8
235.07628	7.4
236.08090	1.2
237.05511	0.9
237.09189	2.4
239.07147	2.1
245.06068	3.1
246.06746	3.4
247.07568	3.3
251.07152	2.0
252.07901	2.1
253.08638	6.7
261.05576	1.6
262.06317	3.4
262.10883	0.8
263.07120	26.7
264.07758	4.1
265.08765	1.8
268.11115	2.6
273.05603	1.5
275.07117	1.7
276.07904	1.1
279.10571	1.1
280.07437	2.7
281.08167	38.6
282.08499	3.5
291.06635	9.9
292.07257	3.4
293.08109	8.4
294.08951	4.1
295.09637	1.3
296.10458	6.4
306.09229	0.9
307.09656	4.6
308.07120	1.8
308.10364	6.3
309.07684	100.0
309.10812	4.2
310.08057	11.3
323.09219	28.2
324.09979	69.1
324.96222	1.0
325.10379	7.2
339.12360	60.7
340.12686	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	339.072
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87146	2.4
55.01752	2.9
57.03313	11.4
58.02845	3.1
59.01258	19.6
71.01252	6.2
71.51305	3.6
73.34863	2.2
83.01234	2.2
84.02032	3.5
85.02827	100.0
94.12619	2.7
101.02270	4.7
113.02340	2.5
123.26514	2.9
129.01787	7.3
147.02911	8.5
147.04413	5.5
191.01923	24.3
209.02972	3.4
310.46423	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	339.0722
Annotation	Sinapoyl-(S)-malate
Peak:m/z	Relative Intensity
54.57105	1.8
56.69854	1.9
57.03320	8.0
57.51179	1.7
59.01246	17.1
62.20652	1.6
70.26380	7.7
71.01253	36.3
85.02821	43.8
98.19895	2.2
113.02266	2.2
115.00253	8.2
121.02842	8.1
129.01810	5.3
135.00804	2.4
135.04375	3.7
147.02904	6.3
147.04413	4.6
149.02348	61.6
150.02689	3.0
161.50818	1.9
164.04694	42.4
177.07472	2.4
179.07062	3.3
191.01923	7.5
192.02263	2.4
208.03700	4.9
223.06067	100.0
224.06381	5.2
255.89909	2.0
262.76126	1.8
281.08270	2.5
293.08109	2.2
309.07816	11.1
323.09174	2.9
324.09988	10.3
333.53821	2.1
339.12631	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	339.0721
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	23.6
69.03323	70.9
70.84410	5.1
71.01241	4.9
73.02850	2.4
79.01775	6.8
81.03330	2.8
83.18475	1.8
85.02812	8.2
95.01279	9.8
96.95889	4.4
97.02821	37.4
100.74808	1.8
101.02345	3.0
107.01261	9.8
108.02078	15.4
109.02830	24.5
113.02330	6.1
121.02829	5.6
123.00768	14.6
125.02332	55.2
133.02850	8.3
135.00790	3.4
135.04338	2.3
135.28362	2.3
136.01553	2.4
137.02333	9.2
149.02330	10.8
151.00235	17.3
153.01833	100.0
154.02127	3.8
163.00261	2.6
163.03964	3.5
167.03333	1.9
177.01840	6.9
179.03325	2.7
247.13484	2.4
279.05127	14.0
279.11029	2.1
297.06192	37.0
298.06534	2.8
301.93549	2.0
311.05573	5.6
339.07825	20.7
339.14178	8.7
339.18121	4.3
339.21854	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	339.0722
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03327	3.4
59.01249	14.1
59.89830	1.5
63.90248	1.5
64.85170	1.3
71.01253	40.7
71.50423	2.4
72.99184	2.2
73.02788	1.5
79.95641	1.3
83.01222	1.7
85.02826	41.2
89.02308	3.7
93.03366	1.3
97.06474	1.5
101.02334	3.0
102.75074	1.3
109.02876	1.5
111.00803	2.1
113.02357	3.0
115.00261	12.2
115.05457	1.7
121.02819	12.0
126.96850	1.4
129.01834	3.4
132.02032	2.3
133.01332	10.3
133.02849	6.6
147.02930	5.0
147.04388	5.7
149.02347	67.1
150.02663	2.7
159.04427	4.3
160.50653	1.7
163.03912	1.7
164.04700	47.9
165.05006	2.2
175.03949	2.4
179.07033	4.7
191.01904	7.3
193.01332	2.4
208.03671	6.6
223.06081	100.0
224.06369	6.8
229.85127	1.4
241.28899	1.4
243.82256	1.5
308.51456	2.0
311.05621	3.0
339.04980	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	339.0719
Annotation	4-O- beta -D-glucosyl-daphnetin
Peak:m/z	Relative Intensity
57.02014	0.2
57.99291	0.2
59.01253	1.9
65.00184	0.9
65.03834	1.3
67.01769	0.9
70.21088	1.0
71.01252	0.6
79.98989	0.3
80.02553	0.6
91.01768	51.7
91.76257	0.2
92.02093	1.6
107.01223	0.4
108.02043	1.5
109.02836	15.2
110.03213	0.3
114.22650	0.3
121.02855	1.6
123.04415	0.8
133.02870	1.2
135.00777	100.0
136.01054	3.2
137.02350	2.8
148.01587	0.3
149.02332	1.2
153.01839	63.8
154.02203	2.0
155.73782	0.3
161.02368	2.0
177.01840	1.4
189.01837	1.2
207.02977	0.3
275.00525	0.3
279.05060	0.7
297.06116	0.9
309.07779	0.4
339.07184	28.3
339.29242	0.3
340.07462	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	337.2383
Annotation	11,12-DHET
Peak:m/z	Relative Intensity
59.01250	100.0
60.01591	0.9
61.33694	0.5
61.98708	0.6
69.91680	1.0
69.92090	2.0
70.32276	0.5
71.01251	0.6
93.47305	0.6
93.86528	0.5
98.19841	0.6
122.85862	0.6
127.68875	0.5
130.93190	0.6
197.27599	0.5
199.26077	0.5
255.23415	0.6
261.73181	0.5
262.96094	0.6
277.21683	6.3
278.22104	0.9
295.22754	36.5
296.23160	3.3
337.23895	11.8
338.24368	1.0
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	Unknow
Peak:m/z	Relative Intensity
57.03315	1.9
59.01252	9.8
60.94757	1.3
69.03332	1.2
71.01245	1.7
71.51447	1.7
74.21163	1.1
75.33929	1.1
78.95760	3.4
85.02816	1.7
93.86691	1.2
96.96826	2.0
125.09531	1.8
156.97661	2.1
165.12761	7.5
181.12244	3.6
183.13799	1.2
247.20633	3.1
273.18573	3.0
274.18958	1.7
276.21112	1.3
279.23242	1.9
291.19669	98.5
292.20010	9.3
307.19199	2.2
308.19873	14.5
309.20520	5.4
337.18280	6.6
337.23831	100.0
338.24277	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	337.2382
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21939	0.6
59.01247	7.6
59.99130	0.6
70.22061	0.6
70.58461	2.1
71.01245	0.7
78.95773	2.3
125.09528	0.6
127.11189	1.2
165.12759	1.3
171.10167	17.7
172.10536	1.0
196.66757	0.6
251.16478	8.9
252.16548	0.8
279.23254	2.2
301.81589	0.7
319.22726	6.4
320.23074	1.3
337.23816	100.0
338.24149	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	337.2382
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78612	2.2
52.79572	1.8
53.31425	1.8
56.14715	1.7
57.61863	2.0
59.01250	14.9
62.03735	2.0
63.03582	1.8
71.01271	4.3
71.51053	2.4
83.73775	2.1
84.02070	5.9
84.99226	2.2
95.04926	3.5
97.06466	21.5
98.00618	2.0
110.03606	2.4
111.08060	3.0
124.05190	9.8
125.05977	100.0
126.06806	18.8
127.07573	2.7
137.09660	3.2
140.04710	2.8
163.11230	4.7
165.12779	20.2
177.12823	5.2
187.62994	2.0
193.12300	3.9
221.11870	7.3
239.16579	4.1
247.20790	4.7
266.15115	11.3
267.15985	44.2
268.16760	56.3
273.18726	8.2
291.19684	44.0
292.20181	2.8
300.15970	7.5
309.20825	5.5
319.22723	19.3
320.23151	3.4
337.18143	4.4
337.23984	99.1
338.24258	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	337.2381
Annotation	Betaenone E
Peak:m/z	Relative Intensity
59.01245	100.0
60.01584	0.9
68.05347	0.4
70.24961	1.2
93.03357	0.5
98.19942	0.6
107.38395	0.4
115.82348	0.4
222.14319	0.4
265.46146	0.4
277.21680	6.5
295.22751	37.1
296.23145	2.7
337.23825	7.8
337.27567	0.7
338.24112	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	337.2382
Annotation	11-deoxy PGF2alpha
Peak:m/z	Relative Intensity
51.07743	1.0
59.01248	10.9
64.79943	1.0
70.49623	1.0
71.51035	0.9
71.84355	0.8
72.28606	1.0
79.30466	1.0
109.20953	0.8
185.05669	1.0
190.04500	1.1
206.42316	1.0
215.11900	1.1
277.21759	1.2
293.38388	1.1
305.21146	6.6
337.23834	100.0
338.24194	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	337.2383
Annotation	Unknow
Peak:m/z	Relative Intensity
57.06085	0.9
59.01247	100.0
60.01599	1.0
70.54305	3.1
71.01229	1.2
97.62067	0.9
110.90768	1.0
163.29538	1.0
171.43750	1.0
179.53914	1.1
225.49242	0.9
277.21729	7.0
295.22778	32.9
296.23145	3.4
304.48175	1.2
337.20071	1.6
337.23782	9.6
338.24084	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	337.2383
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03295	2.7
58.08272	1.4
59.01234	3.8
62.01294	1.1
69.44583	1.2
70.37278	2.5
71.22948	1.3
125.09611	1.6
128.67455	1.3
145.45346	1.4
153.12805	2.4
165.12778	4.1
181.12294	6.3
207.13902	4.3
239.12814	2.3
247.20554	2.2
273.18591	3.5
291.19647	82.3
292.20056	8.0
308.19891	13.2
309.20615	8.9
337.23846	100.0
338.24130	13.6
355.79254	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	337.0777
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23705	3.0
53.21466	3.1
59.01237	8.1
60.62159	2.8
71.01248	4.3
71.49876	3.8
78.95768	5.5
85.02827	3.5
87.00756	6.1
91.10241	3.2
110.98403	4.9
111.01885	57.2
113.02329	3.2
113.99480	6.0
115.00255	15.1
118.93852	3.2
174.01620	6.5
225.01634	4.3
261.58279	3.0
277.05652	7.1
337.03757	5.0
337.07767	100.0
338.07999	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	337.1503
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20271	0.6
54.13361	0.5
57.03298	0.6
59.01247	100.0
59.53675	0.6
69.44644	4.7
71.01230	0.7
85.02818	3.2
93.77097	0.6
111.00778	1.0
111.29302	0.6
111.65968	0.6
119.04945	0.9
129.01810	1.1
145.02849	0.8
162.62724	0.6
163.03964	0.9
191.01907	1.2
221.42946	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	2.3
59.01247	100.0
63.93325	1.3
65.41142	1.2
70.37609	1.2
71.29464	1.9
74.02335	1.2
75.06212	1.2
85.02806	11.9
93.03304	1.7
119.04906	4.8
119.61882	1.6
128.03413	2.9
129.01910	1.5
138.56889	1.3
139.69116	1.3
140.34026	1.4
140.36488	1.2
163.03915	7.6
167.48656	1.2
173.04474	4.5
173.68059	1.3
181.05984	1.3
191.01962	6.7
191.05493	5.4
200.01100	1.4
347.05630	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	337.0775
Annotation	L-Ascorbic acid-2-glucoside
Peak:m/z	Relative Intensity
57.03312	2.1
57.03610	0.6
59.01248	6.6
68.99677	2.1
69.03294	0.6
71.01251	4.0
71.28260	1.6
73.02813	1.3
75.00741	1.2
83.01254	1.9
85.02821	11.7
87.00745	6.5
89.02319	1.5
93.03320	1.2
95.01276	1.0
96.99149	0.7
97.02805	0.7
99.00765	4.3
101.02322	1.9
111.00751	3.9
111.01879	5.4
113.02333	6.4
113.99474	14.2
114.14711	0.7
115.00251	12.7
117.42767	0.6
119.04905	2.2
127.00252	2.6
129.01826	4.3
131.03423	0.7
137.02324	2.3
139.00232	1.0
141.01785	0.7
157.01309	3.1
163.03911	2.2
169.01317	1.3
174.01602	14.0
175.02345	2.0
175.09695	0.7
178.88641	0.6
187.38103	0.7
192.61484	0.7
207.84578	0.6
277.05606	15.7
278.05997	1.5
327.31262	0.6
337.07745	100.0
338.08112	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0565
Annotation	Unknow
Peak:m/z	Relative Intensity
54.47242	1.6
55.01761	1.6
57.03334	12.3
59.01261	14.1
59.78578	1.4
71.01247	5.7
71.50086	1.8
71.50545	2.4
72.99204	2.0
74.02348	1.8
83.01248	1.7
84.02019	1.8
85.02821	100.0
86.03174	2.9
93.03352	4.6
93.26646	1.6
101.02290	2.3
101.07071	1.9
109.48809	1.6
111.00765	5.2
115.00272	1.8
117.03342	7.2
119.04927	11.9
123.05489	1.4
128.03447	3.9
129.01828	11.2
142.77580	1.5
145.02850	16.6
145.06166	2.2
145.52278	1.8
147.02902	12.4
161.02261	1.8
163.03902	11.1
172.44354	1.8
173.00868	1.9
173.04457	16.0
175.02321	2.2
175.05824	1.6
191.01900	50.5
192.02168	2.2
203.40353	1.7
224.23027	1.5
244.75975	1.8
272.08820	3.9
336.21292	2.2
337.07724	1.9
341.42630	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	337.0565
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	1.4
57.03323	21.3
59.01249	22.2
71.01250	3.7
72.40395	1.4
76.68433	1.8
83.01257	9.6
84.02021	1.9
85.02820	100.0
93.03317	2.9
96.95919	1.7
98.20309	8.3
101.02273	3.4
108.39867	1.5
111.00763	2.9
115.07554	11.1
117.03323	5.1
119.04907	24.7
120.05202	2.1
129.01830	63.5
145.02861	31.8
146.03165	1.4
147.02893	36.4
154.99728	4.3
163.03906	18.2
173.00835	51.8
174.01332	1.8
175.03871	1.5
176.07077	1.7
203.07085	5.9
211.04391	1.6
231.06464	6.9
231.11470	1.6
287.77051	1.5
337.07431	5.0
337.12634	1.2
358.85306	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	337.0564
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	2.9
57.03314	10.4
59.01244	12.3
60.05965	1.0
69.81796	0.9
70.26508	2.8
71.01264	8.6
72.99171	5.4
74.12541	1.0
83.01267	1.7
84.02032	2.1
85.02819	100.0
86.03147	1.2
92.40862	0.9
98.20030	1.6
103.00259	1.1
111.00752	1.4
113.02329	0.9
117.03325	7.3
119.04913	13.1
129.01814	4.6
145.02847	39.8
147.02896	45.3
148.03232	1.5
163.03931	12.2
173.00789	1.5
191.01892	2.5
231.06572	1.0
277.12827	1.5
293.06677	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	337.0565
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	2.3
57.03318	12.5
57.46637	1.4
59.01248	12.6
70.78739	3.4
70.79082	2.2
70.98283	1.5
71.01246	2.9
72.99176	1.7
83.01260	2.0
84.02042	3.8
85.02821	100.0
86.03160	1.6
86.62193	1.5
107.95106	1.4
111.00741	4.5
117.03369	7.6
119.04891	4.7
120.11591	2.0
129.01765	4.4
145.02859	27.3
147.02892	25.4
163.03903	4.4
168.75143	1.6
190.12260	3.4
191.01906	86.4
192.02296	2.1
219.47591	1.8
239.94386	1.7
337.07568	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	336.2544
Annotation	Melophlin H
Peak:m/z	Relative Intensity
51.09686	0.7
59.01251	20.5
68.22417	0.8
69.41045	5.8
69.41460	1.9
71.01241	1.1
72.04407	3.1
74.02344	100.0
147.04424	3.2
160.54225	0.8
161.04564	0.8
165.57182	0.9
178.46400	1.0
278.04922	0.8
336.25464	43.3
337.18475	1.5
337.23819	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	337.0389
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71414	0.6
59.01247	1.7
69.26799	5.3
77.03805	0.6
79.95605	3.2
80.96420	0.6
89.03841	1.3
93.03314	3.7
96.95880	1.1
106.04103	4.5
107.04914	10.9
108.02068	1.7
109.18344	0.6
113.03572	0.6
120.32702	0.6
121.02850	1.2
125.57202	0.6
133.02849	100.0
134.03197	3.5
148.17717	0.6
180.95107	0.7
209.06035	1.6
211.07581	18.4
212.08044	1.1
213.09157	18.1
214.09482	1.4
239.04500	1.2
239.07100	79.5
240.07439	5.3
257.08173	83.9
258.08563	8.0
267.22943	0.6
279.06598	1.2
307.05878	1.0
319.02795	44.9
320.03079	3.6
322.08182	1.1
337.03879	53.4
338.04129	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	336.109
Annotation	Indole-3-acetyl-beta-1-D-glucoside
Peak:m/z	Relative Intensity
51.49894	2.4
53.90104	2.3
55.01756	5.9
56.39886	2.4
57.03320	3.5
59.01245	57.0
61.78989	2.0
63.97940	2.4
71.01251	40.0
71.32312	5.4
73.02816	25.4
83.01256	18.3
85.02818	36.1
85.11350	2.2
89.02316	3.5
89.41418	2.5
95.01245	2.9
99.00761	8.1
101.02327	86.1
103.32412	2.2
110.07499	2.1
111.00742	3.0
111.97131	2.4
113.02315	12.9
128.04930	4.7
129.01714	2.0
130.06514	63.2
131.03421	2.5
131.06834	4.7
142.06540	8.8
144.08047	3.4
147.04417	3.4
161.04449	8.2
172.07591	9.8
174.05394	2.4
200.07091	15.4
228.21744	2.5
292.11902	100.0
293.12137	8.0
312.35147	2.7
336.10870	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	336.1087
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58645	0.5
55.01752	0.7
57.03321	0.4
59.01250	100.0
60.01574	0.8
67.01765	1.0
68.01296	3.7
69.03359	0.7
70.46720	1.8
71.01251	7.5
73.02824	2.3
83.01269	1.0
85.02828	5.7
97.02821	1.2
99.00777	1.3
101.02322	3.9
110.02368	1.2
113.02358	2.9
116.04978	0.8
119.04900	1.1
121.02879	0.7
125.02363	0.5
131.03725	2.0
135.04453	1.6
135.94325	0.5
147.04422	17.3
148.04660	0.9
158.05994	2.4
161.04485	8.9
161.05914	1.0
189.05586	0.8
203.05600	1.8
263.06143	0.5
269.54413	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	336.1087
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	100.0
59.45432	0.8
60.01591	1.1
65.22805	0.7
67.01772	1.0
70.72038	0.7
71.01246	1.1
71.01470	0.6
71.01792	1.1
75.10532	0.7
83.56532	0.7
85.02816	3.8
90.90235	0.7
97.02851	1.7
101.02326	1.4
114.44594	0.7
119.04939	1.2
142.29324	0.7
145.04932	0.8
147.04416	24.2
149.33218	0.7
158.06039	2.6
161.04486	1.6
161.05969	1.0
186.05653	1.0
189.05466	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	336.1091
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31015	0.7
55.01767	0.9
55.75383	0.7
59.01252	100.0
60.01608	1.1
67.01753	0.9
68.01290	3.2
69.03352	1.0
71.01258	8.7
72.43567	0.7
73.02828	2.4
83.01291	1.0
85.02818	5.9
97.02882	1.6
98.20671	1.6
99.16627	0.7
101.02325	4.6
110.02360	1.5
113.02362	3.0
114.09811	0.7
119.04935	2.1
123.67827	0.8
125.52633	0.7
131.03696	1.7
132.82323	0.7
135.04474	1.4
137.28593	0.8
147.04428	18.4
158.06042	1.5
159.02908	0.9
160.73228	0.7
160.74525	0.7
161.04475	7.0
189.05571	1.7
235.28905	0.9
273.07599	0.9
293.36194	0.8
351.54071	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	336.0935
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18947	1.4
57.03318	5.1
59.01248	100.0
60.01571	1.6
61.98700	45.3
68.01281	3.9
69.93263	4.0
69.93658	2.8
71.01247	10.0
73.02836	3.3
75.09612	1.5
77.92137	1.5
83.01267	2.3
85.02819	42.9
85.03305	3.2
94.99356	1.8
98.20486	1.7
99.00716	1.5
101.02330	4.9
113.02324	3.3
117.03339	2.5
119.04906	9.1
129.01807	3.5
131.00008	1.7
145.02844	11.9
147.03050	3.1
147.04414	16.4
160.00589	1.7
161.04405	6.0
163.03886	5.5
191.01906	17.6
231.06511	3.9
302.38913	1.7
336.05228	1.8
336.17438	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	336.1088
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	0.5
57.03311	0.6
59.01247	100.0
60.01584	1.1
67.01760	0.8
68.01279	3.4
69.03313	0.3
71.01252	8.0
73.02817	2.1
82.02863	0.3
83.01271	0.8
85.02821	4.9
85.43913	0.2
87.00777	0.3
95.01264	0.7
97.02840	1.4
99.00780	0.6
99.75719	0.2
101.02318	3.6
110.02364	1.5
110.79574	0.2
113.02319	2.7
119.04922	1.3
121.02875	0.4
124.03921	0.2
125.02304	0.3
127.03926	0.2
131.03612	1.2
133.06480	0.5
135.04391	1.6
140.04993	0.3
143.03429	0.4
144.04453	0.5
145.04991	0.6
147.04414	19.2
148.04787	0.8
156.04483	0.5
157.05164	0.2
158.06015	1.8
159.02905	0.5
161.04472	9.1
161.05983	0.8
175.03877	0.3
186.05542	0.4
188.05659	0.5
189.05473	1.1
202.27498	0.2
203.05537	1.3
237.42764	0.3
266.27448	0.2
290.85651	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01755	3.5
57.03322	19.7
59.01244	3.3
67.01754	0.9
70.33138	0.6
70.40977	1.1
70.41312	1.2
71.01253	7.5
72.99175	1.7
73.02805	2.4
80.04957	0.6
80.26015	0.7
83.01257	11.8
84.02046	3.0
85.02821	100.0
86.03150	1.3
87.10745	0.7
95.80367	0.7
101.02326	5.7
103.03905	1.1
110.99985	1.3
111.00761	31.4
129.01826	42.1
129.09114	14.7
130.02147	1.0
148.31549	0.7
159.02898	0.9
161.04462	2.5
164.08839	0.7
187.02422	1.5
197.11757	0.8
205.03482	20.2
205.05431	1.2
206.03767	1.0
223.04555	3.3
257.01855	0.6
257.82019	0.7
278.29059	0.6
335.13562	2.5
344.52774	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
54.42786	0.6
55.01751	3.5
57.03322	20.7
59.01250	3.3
67.01749	1.0
68.99674	0.9
71.01254	7.1
71.06082	1.5
72.99178	1.5
73.02808	2.0
75.00766	1.4
83.01258	10.9
84.02037	2.9
85.02824	100.0
86.03149	1.9
88.01511	0.7
96.05415	0.7
99.00731	1.0
101.02324	5.3
101.43312	0.6
102.34917	0.7
105.55979	0.6
111.00764	34.5
112.01157	0.9
129.01833	45.9
129.09100	14.8
130.02162	1.5
147.02965	0.7
161.04466	2.8
187.02432	1.4
197.11734	1.2
205.03470	25.2
206.03831	1.3
223.04498	4.6
260.46741	0.7
335.13458	2.3
351.21518	0.7
355.40869	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03910	0.9
52.74234	0.9
55.01743	2.7
57.03323	1.2
59.01247	5.1
65.71400	0.8
67.01740	1.1
69.15498	1.1
69.15823	10.7
71.01260	5.9
71.01604	0.9
71.01753	0.7
72.99165	3.9
74.03848	0.9
83.01255	14.9
84.01550	0.9
85.02818	5.7
86.12619	1.0
98.20510	2.2
99.00749	3.4
101.02332	1.3
109.99989	1.1
111.00761	21.2
114.22691	1.0
115.03957	1.2
115.07531	100.0
116.07844	3.1
125.02374	6.6
127.07507	2.6
129.01819	6.4
129.09119	1.2
143.03401	12.2
147.04395	1.3
161.04500	1.3
169.01320	2.5
181.08540	1.5
187.02396	1.9
187.55046	1.0
201.03944	3.1
205.03447	2.1
219.05008	2.9
241.10727	1.8
303.10782	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	335.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01758	1.8
57.03322	11.9
58.06282	0.8
59.00957	1.8
59.01247	25.4
68.99706	1.0
71.01262	5.0
71.51629	1.1
75.70829	0.9
78.41018	1.0
83.01257	3.7
84.02051	2.3
85.02824	100.0
86.03162	1.0
99.00814	0.9
101.02291	2.1
103.00253	2.3
106.35722	0.9
111.00742	4.9
120.42480	1.0
129.01834	14.0
142.36674	0.9
143.10675	4.4
147.02879	9.5
147.04422	2.7
173.00740	2.2
190.13509	1.1
191.01900	31.3
265.04810	1.1
335.13367	1.9
335.18353	3.8
335.22293	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	335.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	2.0
57.03319	13.7
59.01249	6.3
68.99690	0.8
69.26836	2.4
69.27278	2.9
71.01250	3.8
72.99174	1.1
73.02815	0.7
75.00742	1.3
83.01246	2.8
84.02030	2.4
85.02822	100.0
86.03180	1.6
87.00742	0.9
93.46565	0.5
101.02308	1.1
103.00246	2.4
103.40588	0.6
110.82186	0.6
111.00765	4.9
115.00197	0.7
129.01825	10.3
134.91051	0.6
143.10641	4.4
147.02884	10.5
173.00804	1.6
191.01900	33.1
192.02254	1.1
209.02945	1.9
247.13733	0.8
335.13617	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	333.2069
Annotation	17beta-Hydroxy-4-oxa-5alpha-androstan-3-one acetate
Peak:m/z	Relative Intensity
57.03306	1.1
59.01240	2.0
69.03348	1.0
69.17062	0.7
71.51051	0.7
83.04906	0.9
83.99003	0.6
95.30019	0.7
103.41801	0.7
107.04892	3.1
111.08035	2.6
121.02823	1.6
123.08106	0.7
135.04381	2.3
137.91249	0.6
157.84390	0.7
165.09119	0.8
165.12767	2.6
175.07544	1.7
177.12732	2.3
203.10707	1.6
204.11580	0.9
221.11777	0.8
225.14900	100.0
226.15257	5.9
247.20616	0.9
251.16443	0.8
271.20642	1.5
273.18600	1.7
287.20337	0.8
289.21759	1.4
291.19641	20.8
292.19995	1.3
315.19580	4.4
316.20105	1.0
333.20688	39.1
334.17221	0.8
334.20721	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	333.2064
Annotation	8-iso Prostaglandin A2
Peak:m/z	Relative Intensity
50.23194	0.2
59.01244	1.8
63.55677	0.2
71.01259	0.4
71.50204	0.2
80.02540	0.3
81.03319	0.3
83.04920	0.2
83.06689	0.2
95.01257	0.3
95.04966	0.2
112.70500	0.2
121.02853	2.5
121.06472	0.5
122.03670	1.0
123.04388	0.2
123.08039	1.4
135.04399	3.8
136.05141	0.6
138.69450	0.2
147.04384	1.7
149.05988	2.3
151.11171	0.2
153.09135	0.4
161.05971	3.8
162.06781	1.1
163.07552	0.3
164.08334	0.6
165.09131	1.0
165.12776	0.7
167.10663	0.6
170.93013	0.2
175.07549	21.2
176.07970	1.2
177.12714	0.3
178.09906	0.7
179.10602	0.2
186.51648	0.2
189.09122	2.8
191.10735	0.3
191.17934	0.3
203.10728	0.4
204.11491	6.1
204.13335	0.4
205.12114	0.5
210.08936	0.6
217.12277	0.8
219.13979	0.2
231.13849	0.7
232.14590	1.0
233.15471	0.2
236.10269	0.2
245.22681	0.9
246.16197	0.4
271.20673	1.3
273.18784	0.2
287.20139	0.5
289.21735	11.8
290.22098	0.9
297.18741	0.2
307.90991	0.2
315.19617	17.6
316.19943	1.7
318.17960	0.2
333.20685	100.0
334.21030	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	333.2043
Annotation	Unknow
Peak:m/z	Relative Intensity
57.92561	0.5
59.98391	0.5
69.03331	1.6
71.01241	1.6
83.04894	0.5
84.02040	1.7
86.42712	0.5
95.04895	1.1
97.02832	4.2
99.08033	2.1
115.07487	1.2
126.77285	0.6
127.07536	21.8
128.53226	0.7
129.09105	1.4
163.75931	0.5
165.12744	2.3
177.93295	0.5
181.12273	4.7
183.13889	4.1
191.03114	0.8
195.13838	1.3
197.11815	0.7
199.07251	0.7
201.08983	1.0
203.10435	2.4
205.08353	0.7
217.08485	0.8
219.09886	1.0
221.11545	2.2
223.11067	1.1
223.13094	12.3
224.13432	0.7
225.07466	0.7
233.07870	1.6
233.11548	13.1
235.09494	3.2
237.11050	4.7
249.14719	1.0
261.11078	1.9
262.11841	13.8
263.12103	1.0
265.10550	4.6
267.12112	20.9
267.46588	0.6
268.12494	1.0
281.09879	0.7
294.10901	0.7
303.19562	3.5
305.20987	2.1
315.19351	5.7
319.19107	0.8
331.19037	0.9
333.20447	100.0
334.20694	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01785	4.2
58.02846	70.0
59.01244	2.8
61.98697	2.1
71.49149	2.2
83.04944	1.5
85.12015	1.4
86.45374	1.3
91.05417	5.2
105.13131	1.5
107.09569	1.3
112.07530	1.4
116.04939	66.4
117.05299	2.0
118.06512	15.7
123.09167	20.7
126.09151	3.6
126.53816	1.3
128.04996	2.4
129.10228	24.2
135.04384	3.5
137.10786	1.6
139.08636	10.4
140.10768	4.1
141.10258	1.7
146.06044	2.6
147.04465	2.3
149.06067	4.3
153.10291	2.3
154.08658	1.9
167.08147	1.9
171.11301	40.4
172.07700	3.5
174.05515	15.5
175.07539	2.4
183.11342	1.9
185.09224	1.3
186.70767	1.4
198.12943	4.1
205.12367	3.7
210.10077	6.6
215.15482	12.3
216.14011	3.7
223.13339	2.3
231.15045	4.9
233.15355	2.2
242.11803	67.4
243.12230	5.7
253.05492	1.6
257.16562	36.9
258.17087	3.3
259.14508	16.4
259.16953	1.4
265.14700	2.7
289.21780	4.0
291.17047	10.5
295.97934	1.3
301.15546	43.3
301.18762	2.3
302.15985	5.5
315.19815	5.6
333.20871	100.0
334.21194	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	333.1192
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01746	3.4
55.33885	1.5
57.03328	15.9
59.01243	8.1
69.67204	3.5
69.67625	6.0
71.01253	11.8
72.99170	3.1
73.02824	4.5
73.03912	2.9
78.95757	1.8
83.01242	8.7
84.02032	3.1
85.02821	100.0
86.03168	3.7
87.82225	1.5
89.02312	1.9
98.19982	3.7
98.20541	1.8
99.00721	2.2
101.02330	7.2
111.00765	28.9
113.02317	1.7
127.07575	8.5
129.01828	35.9
130.08621	5.9
152.99503	2.0
155.10599	1.7
161.04430	3.4
171.10162	3.5
189.97183	1.6
197.11491	1.7
203.08104	1.8
205.03458	22.1
215.12883	9.2
223.04523	4.8
306.81552	1.5
333.12308	2.0
333.15689	2.0
333.19101	4.7
334.17722	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	333.1554
Annotation	Unknow
Peak:m/z	Relative Intensity
53.49170	2.7
55.01751	7.5
57.03316	8.0
59.01256	25.7
63.28577	2.2
67.15342	2.6
71.01250	88.8
71.04887	6.4
71.81336	2.4
72.99182	2.3
73.02817	22.0
78.95760	2.5
83.01250	10.2
85.02818	70.7
86.03133	2.3
87.00742	2.8
89.02322	8.6
95.01239	7.3
99.00740	11.6
101.02317	43.9
103.20199	2.4
113.02326	34.5
114.16306	2.2
119.03333	3.2
127.11172	21.3
129.01793	3.1
139.03880	2.6
142.88731	2.4
147.02856	3.8
148.40282	2.7
159.02856	4.9
161.04492	14.4
171.10170	100.0
172.10553	3.0
191.01848	4.5
195.95557	2.5
284.16373	2.6
285.88797	2.4
333.15503	8.0
334.15891	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	333.119
Annotation	CHEBI:19923
Peak:m/z	Relative Intensity
55.73218	2.7
58.00463	2.7
58.55356	3.1
59.01247	30.2
59.01723	2.5
60.44721	3.0
68.73846	2.8
70.66396	8.6
71.01247	19.0
72.99178	4.9
78.95713	2.5
79.59571	2.5
82.36839	2.7
85.02815	7.7
89.02312	12.2
91.05414	9.6
95.84582	3.0
96.41373	2.6
101.02312	7.2
107.04880	5.3
109.06431	5.8
109.62954	2.6
113.02256	3.3
119.03396	5.3
125.05971	6.3
128.45578	2.9
135.04419	3.2
152.99486	5.6
153.05476	32.6
171.06538	29.3
177.01947	3.3
333.11899	100.0
333.18628	5.7
334.12323	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	333.1093
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03324	3.1
59.01245	7.6
71.01248	9.3
71.50499	3.5
72.99181	4.6
83.67810	2.5
85.02834	20.4
91.18127	2.0
92.04941	5.6
93.03357	2.2
101.02319	4.1
102.22613	2.5
104.04936	5.4
118.02808	4.8
120.04435	3.5
122.02395	2.7
122.06020	16.6
133.11723	2.4
138.05502	13.0
140.07057	11.7
142.28505	2.4
148.03984	3.7
166.04964	9.0
167.05794	4.1
168.06577	5.3
168.08012	4.8
171.10162	3.4
172.11235	7.6
184.11264	12.8
187.06242	4.1
191.01878	5.3
202.12294	8.3
211.05104	3.1
212.05843	5.8
215.09540	3.3
216.10210	10.6
217.07375	40.2
226.07230	2.4
227.08041	3.3
231.08919	17.0
238.07639	3.4
241.09784	27.1
242.06995	4.4
246.11348	71.6
247.11794	5.2
253.09787	12.1
255.07698	4.4
259.10785	17.0
259.15222	2.8
271.10873	100.0
272.11212	7.3
289.11868	13.7
315.09863	6.7
333.06454	5.9
333.10895	65.7
333.14981	5.5
334.11465	3.8
341.43451	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	333.0956
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46183	5.0
51.51468	5.5
63.93887	5.4
69.61968	42.0
78.95771	58.6
89.02332	6.8
96.96827	11.9
152.99492	79.0
171.00560	10.5
200.03476	6.3
241.01181	43.1
260.87082	6.2
297.11871	35.8
333.05969	100.0
333.09570	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	333.1092
Annotation	Unknow
Peak:m/z	Relative Intensity
55.00623	2.4
57.03327	2.6
59.01242	10.2
63.32743	2.4
69.61638	17.6
71.01240	9.5
72.99168	6.3
73.42323	2.6
78.95775	5.0
85.02824	27.0
92.04919	8.0
93.77736	2.7
104.04927	6.8
106.50642	2.6
107.56987	2.7
113.36465	2.4
120.03678	2.8
120.04475	4.2
122.05987	19.4
129.01791	3.0
136.03906	3.9
138.05502	15.3
140.07040	10.4
148.03902	4.1
152.99503	4.8
154.06531	2.5
166.04984	10.5
168.08093	4.0
172.11226	5.9
179.80669	2.4
184.11188	17.8
191.01845	5.9
202.12285	11.2
212.05826	7.5
214.08652	4.8
215.09503	4.7
216.06680	3.3
216.10220	10.0
217.07358	32.3
225.06622	5.9
226.07458	5.7
227.08267	4.3
231.08951	13.7
238.07365	3.7
241.09724	24.5
242.07071	4.0
243.11319	4.5
246.11316	76.8
247.11589	5.3
253.09850	14.1
255.07796	3.9
259.10800	16.7
261.27377	2.9
271.10849	100.0
272.11096	7.9
289.11880	18.9
297.08777	2.5
315.09888	10.9
333.06509	4.6
333.10861	54.5
333.15152	8.5
334.11337	3.5
336.98264	2.4
351.48367	2.4
355.41464	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	333.0591
Annotation	2-(alpha-D-Galactosyl)-sn-glycerol 3-phosphate
Peak:m/z	Relative Intensity
57.85455	0.4
61.75022	0.4
70.62351	0.8
76.29189	0.3
78.95773	100.0
96.95862	0.9
96.96838	20.4
140.22887	0.4
150.97900	1.2
152.99486	56.7
153.99858	0.6
171.00554	6.5
185.52852	0.5
223.00137	0.5
238.17059	0.3
241.01144	23.9
242.01489	0.6
259.02237	1.3
333.05908	61.1
334.06247	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	331.2278
Annotation	Secochiliotrin methyl ester
Peak:m/z	Relative Intensity
69.87398	1.4
78.95750	0.4
83.94782	0.3
92.21897	0.4
118.80453	0.3
133.29681	0.3
152.99483	0.9
160.74010	0.3
192.11868	0.3
215.10735	0.8
228.11539	1.3
236.27629	0.4
257.00122	0.3
269.15518	0.4
283.16995	0.7
284.17789	1.0
299.20142	100.0
300.20468	9.6
301.21844	1.0
323.67862	0.4
331.19333	0.7
331.22772	17.4
332.23154	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	331.1913
Annotation	Aldovibsanin C
Peak:m/z	Relative Intensity
57.12069	0.2
57.47552	0.2
66.38912	0.2
70.83999	0.5
70.84345	0.2
76.29095	0.2
80.28678	0.2
89.47167	0.2
114.67178	0.2
141.40112	0.2
147.61739	0.2
151.08792	0.2
161.56393	0.2
210.41844	0.2
228.05000	0.2
242.09438	0.2
242.13048	0.3
243.10187	0.4
245.68837	0.2
259.17087	0.5
269.15521	0.3
270.16232	7.3
271.16711	1.2
272.14160	0.3
283.13376	1.8
284.13641	0.3
285.15451	0.2
285.18576	4.4
286.18842	0.3
287.20157	1.6
288.20642	0.2
298.15720	38.8
299.16098	4.1
302.15106	0.4
312.17020	0.2
313.18057	5.3
314.18521	0.6
316.16702	0.2
331.19113	100.0
332.19427	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	331.1908
Annotation	PGB3
Peak:m/z	Relative Intensity
54.74261	0.2
55.08598	0.2
59.01235	0.3
61.39431	0.2
71.01247	0.3
71.06469	0.5
76.31267	0.3
78.95761	1.4
85.06128	0.2
88.01561	0.3
99.93195	0.2
100.34321	0.3
108.02055	0.4
109.02823	0.4
123.04357	0.4
151.07541	4.6
152.99503	2.2
179.07040	2.3
183.13802	0.4
190.06294	0.3
197.39586	0.3
199.01782	0.3
219.13963	0.4
224.68320	0.2
230.09357	0.3
233.11569	0.6
235.20668	0.9
238.45009	0.2
241.19583	0.3
242.09392	0.3
245.15526	0.5
263.20096	0.8
269.15405	1.3
270.16220	1.3
274.11581	0.3
280.23654	0.8
283.13385	1.2
285.18570	7.2
286.18939	0.5
287.16312	0.3
287.23782	0.3
288.13443	0.9
288.17279	0.6
290.15027	0.3
297.15015	2.2
297.36630	0.3
298.15692	4.6
299.16324	0.7
303.15973	0.2
303.19620	15.7
304.20026	1.4
313.18100	16.1
314.18436	1.3
316.16666	0.3
331.19095	100.0
332.19449	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	331.1887
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18394	0.6
51.92608	0.7
59.01229	1.8
68.99702	0.7
69.03323	10.0
71.01244	1.5
71.50847	0.8
87.65631	0.7
97.02824	49.6
98.03138	1.2
111.04372	2.1
125.05968	2.8
152.00810	2.1
153.01842	1.3
167.98943	0.7
177.01630	1.0
178.02412	7.3
181.12286	1.1
183.13705	0.8
191.03192	4.8
210.01431	6.1
219.06346	7.5
223.13104	0.8
231.09872	0.8
233.08003	1.4
233.11569	2.5
234.08580	1.8
261.11057	64.5
262.11829	100.0
263.12119	7.3
267.12088	1.2
283.47806	0.6
294.10825	13.4
295.11249	0.9
306.40613	0.6
313.17838	1.8
331.18893	24.1
332.19122	1.6
339.21021	0.7
348.11166	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1881
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30091	0.5
53.29967	0.6
59.01245	1.2
69.02974	0.7
69.03323	12.8
71.01224	2.3
71.50170	1.0
79.72582	0.6
84.02044	0.6
93.03359	1.0
97.02824	50.2
110.63469	0.6
111.04343	1.7
114.55141	0.6
125.05949	2.7
127.07538	0.7
152.00784	2.2
165.12698	0.6
168.00409	0.7
168.04120	0.6
178.02382	6.9
183.13768	1.5
191.03145	4.5
210.01392	5.8
219.06322	6.0
222.08644	1.3
223.09380	0.8
233.07881	2.1
233.11528	2.9
234.08693	1.3
235.09372	0.6
247.09445	0.8
261.11060	61.2
262.11835	100.0
263.12143	6.6
267.12085	0.8
272.41214	0.7
277.10767	0.9
294.10809	12.0
295.11346	0.7
303.19345	1.0
313.17831	1.1
331.18921	22.2
332.19156	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	331.155
Annotation	Gibberellin A4
Peak:m/z	Relative Intensity
57.73252	1.1
59.01228	3.4
63.35560	1.1
71.04852	1.4
73.02792	4.1
74.02830	1.1
78.06454	1.1
98.19761	2.1
101.83356	1.2
108.62012	1.3
116.29232	1.3
130.27579	1.2
135.46777	1.2
141.14923	1.2
147.11745	1.3
153.01886	2.3
169.01413	1.5
213.12752	4.2
225.16422	2.9
229.13026	1.8
243.17570	8.3
257.11795	6.0
269.15405	2.0
287.16568	11.9
313.14594	2.8
331.15475	100.0
332.16040	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	331.1398
Annotation	Unknow
Peak:m/z	Relative Intensity
54.50784	2.5
57.03336	13.2
59.01246	6.3
70.25901	6.4
71.04913	3.7
72.99181	100.0
73.02817	3.1
81.03340	10.0
83.04874	3.4
85.02815	5.3
86.63485	2.1
95.04926	3.6
97.06484	6.4
98.03623	2.4
99.04391	10.5
109.14329	2.1
123.08009	3.1
130.93105	2.3
134.16614	2.3
139.07561	5.2
141.09073	2.5
149.09668	2.9
164.78804	2.0
165.12852	3.4
166.06198	3.2
169.08678	2.6
170.27332	2.0
191.10675	21.2
195.53169	2.0
209.11740	16.2
213.00325	2.3
239.12875	8.0
296.63766	2.5
322.50809	2.1
331.13995	26.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.0669
Annotation	1-O-Galloyl-beta-D-glucose
Peak:m/z	Relative Intensity
69.03323	3.8
69.78344	12.0
70.36235	2.0
75.45506	1.9
83.01252	1.8
98.19962	2.5
123.00766	6.5
124.01554	19.0
125.02327	62.8
128.03432	3.0
143.04486	4.5
146.14244	1.8
149.99483	30.6
153.01839	2.2
167.03398	2.5
168.00542	47.2
169.01341	12.8
204.95694	2.0
211.02673	2.4
261.99612	1.9
313.05704	4.5
331.06686	100.0
331.15375	3.4
332.07025	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	329.2332
Annotation	9,10,13-TriHOME
Peak:m/z	Relative Intensity
59.01251	6.3
64.89128	0.4
69.92620	1.9
71.01247	0.9
71.42414	0.5
73.02813	1.3
125.09551	0.6
127.11163	3.1
143.10654	1.0
150.26974	0.4
155.10674	3.8
157.12250	12.8
158.12543	0.6
171.10176	100.0
172.10501	4.2
177.05615	0.4
201.11209	3.1
290.06235	0.4
293.21292	0.4
311.22296	2.9
329.14044	0.5
329.23184	3.4
330.23935	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.2075
Annotation	Echinophyllin F
Peak:m/z	Relative Intensity
50.30328	0.6
58.02845	3.1
59.01252	2.6
61.98712	0.7
69.06493	0.7
70.02657	2.7
72.00774	9.0
76.65031	0.6
77.40665	0.6
78.95803	0.8
91.05429	3.2
101.11236	0.7
108.57410	0.9
118.97065	0.8
123.04395	0.9
135.04410	1.4
147.04425	42.3
148.04762	1.9
164.07082	100.0
165.07439	4.4
182.15411	6.6
194.15500	7.0
194.17075	1.2
218.50539	0.7
286.21848	1.1
330.20737	83.6
331.21158	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	329.2331
Annotation	9,10,13-TriHOME
Peak:m/z	Relative Intensity
52.50206	0.6
57.03309	1.8
59.01225	0.9
71.04884	0.8
71.08033	0.7
71.08364	1.0
71.95161	0.6
81.20959	0.6
83.04887	1.1
84.62231	0.7
85.22385	0.6
99.08036	9.3
110.78933	0.6
125.09609	2.4
127.11171	5.9
129.09123	1.1
139.11183	8.1
152.08301	0.7
155.10759	0.7
155.14320	0.9
157.12262	1.4
167.14320	1.6
171.10188	20.6
171.11664	1.0
172.10509	1.1
183.13860	6.5
193.12257	2.3
201.11107	0.6
209.11783	1.5
211.13339	32.1
212.13690	1.8
226.30835	0.8
229.14404	17.1
230.14647	1.0
293.21146	1.9
309.20917	0.7
311.22241	1.7
329.23312	100.0
330.23648	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	329.233
Annotation	9,10,13-TriHOME
Peak:m/z	Relative Intensity
50.66832	0.8
59.01246	9.2
66.20309	0.7
69.41117	3.3
69.41549	4.0
71.01286	1.0
78.61403	0.9
87.21505	0.8
98.12450	0.8
99.08042	11.2
111.07175	0.8
113.09622	3.3
125.09655	0.8
127.11191	2.3
127.48262	0.8
129.09105	0.9
139.11218	1.8
143.10677	23.8
144.10963	0.9
152.63879	0.9
167.14352	2.7
171.10193	2.7
183.13847	2.4
185.11739	79.9
186.12029	4.1
195.13824	9.6
199.13435	1.6
201.11308	2.6
211.13350	2.9
213.14935	1.4
229.14343	2.8
253.00966	0.7
255.15958	1.3
283.22733	0.9
293.21280	7.3
298.66391	0.9
311.22250	100.0
312.22552	8.5
321.01895	0.7
329.14139	1.5
329.23383	41.2
330.23587	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.233
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03299	0.5
58.00463	1.2
59.01245	4.3
69.55492	2.6
71.01256	0.5
86.72428	0.4
98.19814	0.8
99.08041	0.5
107.08603	0.4
109.06449	0.4
120.65451	0.4
120.66480	0.4
129.09242	0.4
139.11157	0.5
151.11118	0.4
152.90387	0.4
153.12758	1.5
155.14305	4.7
157.52107	0.3
165.12735	1.1
167.14322	1.0
171.10197	1.3
181.12268	1.2
183.13855	5.9
190.81459	0.4
193.26199	0.4
199.13344	5.8
211.11440	0.6
211.13316	5.2
227.12874	2.0
229.14400	100.0
230.14728	5.2
231.17465	1.5
285.22272	3.2
301.21582	0.6
311.22330	10.8
312.22552	1.1
329.21317	14.0
330.21487	1.1
347.22244	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1756
Annotation	Carnosol
Peak:m/z	Relative Intensity
59.01253	1.4
60.52771	0.1
69.32574	0.1
75.07744	0.1
78.95772	0.2
84.00797	0.2
98.19801	0.4
105.01381	0.1
107.04925	0.2
115.28738	0.1
123.08033	1.0
151.07607	0.3
152.99486	0.6
176.06190	0.2
177.09106	0.4
180.55533	0.2
184.68719	0.1
190.06456	0.2
192.07742	0.2
199.65758	0.2
205.04939	0.1
215.06969	0.8
217.08612	1.1
218.05820	0.5
229.08643	1.7
230.09419	3.1
231.09900	0.3
233.08167	0.2
237.87476	0.2
243.06680	0.2
243.10294	0.8
245.08156	0.2
246.08887	0.4
257.08200	0.3
257.11896	0.3
258.08945	0.6
259.16992	0.7
271.13373	2.7
280.02570	0.2
283.17123	0.2
285.14917	1.9
286.15607	1.0
296.14120	0.4
299.12906	0.5
301.18051	2.9
311.16586	0.4
313.14340	1.2
314.15103	0.4
318.14810	0.6
329.17554	100.0
330.17896	9.1
346.14215	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1606
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	4.9
59.01253	23.9
65.41071	2.1
65.86764	2.4
71.01252	8.6
71.50510	3.7
72.99179	4.1
73.02834	2.9
74.30015	2.3
75.00756	4.2
87.00729	2.4
93.03353	3.6
99.08019	5.4
101.02326	3.0
105.01809	9.6
111.08035	2.6
121.71613	2.2
125.09620	3.7
127.11147	4.3
135.04445	2.0
139.11229	13.7
163.03891	4.3
165.12737	8.0
171.10178	25.2
181.04974	9.7
183.13812	6.1
187.09729	3.3
191.14343	11.2
201.11249	2.8
209.15407	100.0
210.15735	5.4
211.13332	15.8
213.14789	2.5
217.12222	2.9
221.11748	2.9
227.12831	6.3
229.14424	11.0
239.12952	2.5
241.14447	5.1
241.18077	11.2
253.14343	15.8
255.94339	2.3
269.13998	5.1
281.13556	2.8
285.17029	10.7
293.13831	2.5
293.21207	2.7
329.10446	4.0
329.23322	96.2
330.23615	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	329.1393
Annotation	Muricarpone B
Peak:m/z	Relative Intensity
56.32874	0.5
58.98818	0.5
59.01254	2.1
69.72697	2.9
71.01269	1.0
71.60569	0.4
91.05412	0.8
93.03329	1.1
105.03359	0.6
108.02018	0.6
109.02855	0.7
115.05419	1.7
119.04874	0.6
121.01982	0.7
121.02835	12.2
122.03664	4.0
123.00773	2.5
123.04411	1.5
124.01534	2.4
130.04150	0.9
131.04909	2.4
134.03644	0.7
136.01530	0.6
136.05229	3.2
137.02324	1.8
137.06003	1.2
138.03084	0.7
143.04935	2.2
145.02841	1.5
146.03615	1.1
147.04407	9.9
149.02338	5.4
149.05997	1.1
150.03122	17.8
151.03862	1.2
152.30673	0.5
153.05452	1.3
156.82545	0.6
158.03635	13.5
159.04425	39.7
160.05205	91.9
161.05980	32.2
162.03120	1.0
162.06326	1.6
163.03908	15.9
164.04707	16.8
165.05264	0.7
168.04164	1.2
173.05986	10.7
175.07555	72.1
176.03120	0.5
176.04730	1.8
176.07841	3.5
177.05486	19.6
178.06261	18.3
179.06604	1.0
191.07060	0.9
192.07866	1.7
193.05057	0.7
193.08630	8.7
314.11530	2.5
329.13916	100.0
330.14267	10.5
350.97275	0.5
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
55.71003	0.6
59.01247	100.0
60.01591	1.1
71.01248	3.6
71.20794	1.1
73.02834	1.3
83.01266	1.0
85.02828	2.1
101.02333	3.0
113.02321	1.7
161.04500	3.3
269.10385	2.7
301.06302	1.1
311.04315	0.6
329.05658	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	329.1243
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	0.9
59.01251	100.0
60.01597	0.8
69.29571	4.9
71.01257	5.1
73.02821	1.7
76.70715	0.6
77.31311	0.5
80.46191	0.5
83.01266	0.9
85.02834	3.5
89.02321	0.8
99.00784	0.8
101.02319	4.3
104.96210	0.6
107.88088	0.5
111.00778	0.6
113.01145	0.6
113.02338	2.5
115.55095	0.5
123.04469	0.8
131.02350	0.5
149.06015	0.9
149.13390	0.6
161.04486	5.5
167.03441	1.2
171.90112	0.5
207.04097	0.5
269.10281	5.2
329.11841	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.124
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	100.0
60.01586	1.0
69.20993	1.4
69.21404	5.9
70.89046	0.7
71.01243	4.7
73.02820	2.1
74.03158	0.9
83.01238	1.3
85.02834	2.2
88.00044	0.7
101.02306	3.9
106.35805	0.8
113.02335	1.7
117.11295	0.9
133.41919	0.7
161.04510	2.6
269.10413	2.5
272.47900	1.0
279.39499	0.9
305.80133	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1029
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	10.6
93.03335	2.0
98.19788	2.8
101.84222	0.8
108.02076	1.3
121.02836	8.9
122.03619	2.0
137.02304	1.1
140.88078	0.9
145.02911	1.2
149.02345	100.0
150.03136	38.7
151.03545	0.9
160.05235	1.0
162.03137	1.6
163.03912	6.0
164.04698	31.6
165.05145	2.3
171.10168	1.1
175.07567	1.1
178.02623	19.4
182.02127	22.6
191.03386	11.3
192.04207	18.1
193.04985	51.7
194.05302	2.4
196.03706	51.0
197.04059	1.3
205.05003	2.3
209.05977	1.2
213.05551	1.2
225.05540	1.8
227.03587	1.0
241.04988	4.1
253.05063	4.6
268.07370	2.5
269.04510	7.1
269.07156	1.5
270.05310	15.5
271.05853	2.6
281.04596	6.2
284.06830	2.2
285.07663	16.7
286.08118	2.7
289.69760	0.9
296.06790	7.0
299.09015	2.1
301.10803	5.3
311.09259	2.1
314.07980	3.2
329.10266	95.7
329.23233	2.7
330.10571	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.254
Annotation	2-palmitoleoyl-glycerol
Peak:m/z	Relative Intensity
59.01246	6.1
61.98721	1.6
65.03905	1.3
71.01247	2.6
71.51554	2.0
71.51919	1.9
71.52297	1.7
83.44566	1.4
89.02295	2.7
104.57150	1.3
107.00497	1.5
113.02314	1.4
149.02385	1.7
200.10596	6.5
215.12831	28.1
231.93117	1.4
257.04111	1.4
277.21710	2.5
293.21359	2.0
295.22971	2.1
327.22009	5.0
327.25369	100.0
328.25723	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	327.2175
Annotation	Corchorifatty acid F
Peak:m/z	Relative Intensity
50.52871	0.7
58.00454	2.9
59.01235	1.7
65.17060	0.8
69.44634	2.9
69.45073	3.2
71.04906	0.8
79.92070	0.8
85.02837	1.3
95.04861	0.9
97.06461	2.9
115.07526	14.3
127.07439	1.0
129.09081	2.2
134.00343	0.8
137.09578	0.8
153.12735	7.9
155.10660	1.1
155.14305	3.6
167.10658	1.0
171.10159	2.9
181.12242	1.1
183.13809	6.6
185.11765	3.6
197.11761	9.7
199.13321	12.4
211.13319	13.1
215.12787	5.5
227.12822	15.1
228.13322	1.4
229.14391	100.0
230.14697	6.6
239.16461	2.7
265.18353	1.0
265.21671	1.7
291.19614	9.9
292.19986	1.5
299.22330	1.8
305.22119	0.9
309.20657	12.4
310.20947	1.1
327.05118	1.0
327.21823	15.8
328.21896	1.3
345.20651	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03308	1.4
70.62558	3.2
71.01249	1.2
73.02798	1.7
76.03394	1.1
78.63795	1.1
80.02541	1.4
83.04889	3.5
84.02032	2.1
87.11703	1.3
99.08035	2.8
102.70543	1.0
111.08047	1.4
114.28437	1.2
127.07523	3.9
129.09096	25.6
139.27713	1.0
140.51364	1.1
141.09106	13.2
141.12727	1.4
142.08093	1.1
163.11163	2.7
165.12724	3.1
171.10196	3.8
185.11748	46.9
186.12050	1.9
197.11752	38.7
198.12108	3.1
209.11754	48.6
210.12093	2.5
227.12833	3.7
291.19647	11.1
309.20691	15.1
310.21341	1.7
327.21744	100.0
328.22116	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	327.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	0.8
57.03326	4.9
59.01247	0.8
59.07934	0.6
61.98698	0.6
69.03321	6.3
69.52199	0.6
70.80357	0.8
70.80687	1.0
71.01239	0.6
71.04856	0.6
72.49306	0.5
82.69061	0.5
83.04890	0.6
84.02003	0.7
85.02821	22.7
97.02835	4.0
97.06445	1.8
104.39372	0.7
106.23599	0.5
119.08556	1.1
121.02840	0.6
125.09637	1.4
127.11177	1.2
137.09607	6.7
155.10760	1.2
159.82393	0.6
171.10173	52.2
172.10498	1.6
177.12737	0.7
183.13846	1.6
195.13905	0.6
201.11240	2.4
209.11794	0.9
211.13385	5.0
221.11798	1.2
229.14386	3.5
229.16454	0.6
239.12965	1.3
241.34322	0.6
291.19656	2.5
306.03223	0.7
309.20862	1.0
327.21747	100.0
328.22061	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	327.2175
Annotation	Corchorifatty acid F
Peak:m/z	Relative Intensity
55.01762	0.6
57.03314	2.5
69.03319	1.4
71.01233	0.9
71.18970	1.4
71.85509	0.5
83.04890	0.9
85.02824	9.6
95.04896	1.0
97.02836	1.2
97.06459	4.8
99.14610	0.6
109.06473	0.9
125.09589	1.4
127.11178	2.1
130.72321	0.6
137.09579	1.7
139.37750	0.6
155.10703	0.9
155.14273	0.6
165.12682	0.9
167.14307	0.8
171.08777	1.3
171.10188	20.8
177.12784	0.6
183.13850	4.2
185.11757	1.7
193.12195	0.9
199.13280	0.6
201.11234	0.8
203.10612	0.8
209.11737	1.5
211.13326	18.9
212.13658	1.1
213.13026	0.5
221.11795	2.9
229.14401	14.6
229.16525	1.2
230.14677	1.1
239.12794	2.4
257.13889	1.0
291.19608	3.4
309.20584	1.8
327.21759	100.0
328.22012	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	327.2174
Annotation	Corchorifatty acid F
Peak:m/z	Relative Intensity
55.37439	1.1
57.03323	2.0
59.01240	1.4
69.03341	1.2
71.19436	2.7
73.02795	2.5
94.44213	1.3
97.06438	2.0
99.08024	2.7
112.05186	3.3
115.07519	3.6
124.90002	1.3
127.07532	3.5
127.11174	2.1
129.09099	29.8
141.09111	10.7
155.10675	26.1
159.13213	1.2
171.10190	18.1
185.11757	43.8
186.12061	1.5
197.11757	37.3
198.12128	1.9
209.11748	6.0
211.13303	1.9
247.20447	1.9
257.86783	1.1
262.57635	1.2
291.19656	17.7
309.20676	31.8
310.21088	1.7
327.21756	100.0
328.22186	9.3
336.45987	1.4
342.07358	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	327.2174
Annotation	2,3-Dinor-8-iso prostaglandin F1alpha
Peak:m/z	Relative Intensity
59.01237	5.0
60.20378	1.9
64.22996	1.8
66.11839	1.6
69.63500	4.3
69.63902	10.8
83.08260	1.9
97.06460	2.4
98.03606	4.9
113.09599	7.1
115.07519	7.6
116.52286	1.8
123.08086	1.7
127.86191	1.8
129.09105	6.7
141.09109	51.0
142.09454	4.2
156.91559	1.8
165.12733	6.7
181.12273	5.6
185.11745	100.0
186.12090	5.3
193.12306	2.9
197.11725	3.7
199.13306	4.9
211.13307	7.4
217.39165	1.7
227.12885	3.1
247.20689	3.7
273.18539	3.2
290.54520	1.7
291.19659	40.3
291.51663	1.7
292.19833	2.8
309.20676	87.3
310.21155	8.6
327.21680	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	327.217
Annotation	2,3-Dinor-8-iso prostaglandin F1alpha
Peak:m/z	Relative Intensity
59.01247	15.8
70.41122	3.9
71.01247	8.1
74.22319	3.9
75.85953	4.2
82.99532	3.9
85.02805	6.9
89.02349	7.3
97.06487	7.5
101.02311	5.5
113.09527	4.9
117.51099	4.2
118.98006	4.0
119.03324	5.0
133.02855	3.9
141.09079	11.8
155.10695	40.0
165.12810	6.1
167.24783	5.6
171.10185	37.4
175.11089	4.7
185.11714	45.7
195.16711	3.9
197.11725	9.3
211.13264	9.6
229.10966	4.4
247.20732	5.2
267.10852	7.3
291.19583	30.4
299.05551	5.0
309.20706	85.8
310.20895	4.8
312.09518	4.0
327.05093	21.4
327.12830	8.9
327.16241	6.3
327.21774	100.0
328.21951	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	327.1996
Annotation	Unknow
Peak:m/z	Relative Intensity
55.81499	0.8
59.01253	1.9
59.32425	0.7
62.07500	0.7
69.18662	2.4
69.19084	6.1
72.97395	1.7
73.98161	0.9
80.67111	0.7
85.01027	2.4
86.98975	2.9
88.52032	0.7
93.95065	0.8
98.20560	1.8
102.18719	0.7
127.02119	1.2
127.11178	4.0
127.45695	0.8
141.75163	0.8
145.06848	1.4
156.06033	2.2
158.07607	17.1
159.07985	0.9
167.14363	1.0
171.10236	1.5
181.12250	10.2
184.01427	0.8
184.09184	11.4
185.00623	4.9
185.09628	1.0
191.12483	0.8
197.09958	2.6
197.11658	1.2
209.11862	1.1
211.13373	1.2
215.11052	19.2
216.11441	1.4
229.14352	1.1
244.08913	0.7
244.11214	4.0
249.22350	1.0
263.47580	0.8
265.21820	2.1
293.21207	14.3
309.18900	1.1
327.05084	1.3
327.19998	100.0
328.20328	10.3
343.97577	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1448
Annotation	tetranor-PGEM
Peak:m/z	Relative Intensity
57.03320	0.8
58.00476	0.5
58.83821	0.4
59.01245	3.2
68.99734	0.4
69.03325	0.8
69.94408	1.8
71.01251	14.3
72.99174	0.6
75.00752	2.1
80.02578	0.8
81.03327	0.4
83.04883	1.1
85.02823	2.4
87.00747	9.4
95.04919	1.4
97.02840	0.4
99.00733	0.9
101.02344	0.4
108.02063	0.8
109.06497	0.4
111.04423	0.4
111.08062	0.4
115.00253	75.8
116.00598	1.2
121.02818	0.7
122.03629	1.0
124.01530	0.8
129.01868	0.8
133.02832	0.4
145.02832	0.5
162.64792	0.4
165.12759	0.4
167.14177	0.4
171.10205	1.8
177.12810	1.1
181.12166	0.4
183.13829	10.7
184.14165	0.8
185.11644	0.5
191.14365	0.7
193.12238	1.0
193.16005	0.9
195.13879	0.6
195.85118	0.4
197.15450	1.2
199.13309	1.1
203.10802	0.5
203.14331	0.8
207.13791	1.1
209.15428	1.1
211.13339	25.6
212.13673	1.3
219.13826	1.3
221.11787	4.1
221.15331	0.5
225.14902	11.6
226.15266	0.9
227.12904	1.0
227.16469	6.1
235.13321	3.0
236.13470	0.4
237.14922	16.7
238.15334	1.0
239.12851	4.2
239.16451	3.2
245.11774	0.7
247.13326	7.9
248.13698	0.4
249.88277	0.5
251.12991	0.6
253.14432	2.6
255.15973	9.4
256.16345	0.8
263.12875	1.6
263.15503	0.7
265.14407	6.3
269.13916	19.7
270.14255	1.5
281.13861	2.0
283.12106	0.7
283.15457	2.1
291.12350	0.4
299.05466	0.8
309.13086	1.8
309.16165	1.1
327.05261	2.2
327.14471	100.0
327.21780	6.0
328.14737	6.9
328.18124	0.8
328.22134	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1234
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27245	0.4
59.01288	0.8
67.07476	0.5
69.17686	2.2
69.18108	2.0
74.98192	0.5
75.89246	0.6
85.02882	0.8
93.03327	3.2
98.19762	1.0
109.02908	1.1
119.04980	1.4
121.02840	23.2
123.04482	0.7
131.04886	0.6
133.02899	1.0
135.04477	2.0
143.04951	0.5
145.02917	0.9
146.03671	0.8
147.04422	5.3
148.05090	0.6
149.02400	2.0
149.05984	0.6
158.03705	1.9
159.04503	1.7
163.03932	3.6
164.04582	0.5
165.05513	0.7
173.02367	0.6
174.03226	0.9
175.03909	22.4
176.04428	1.0
183.04469	0.7
185.06049	0.7
187.04073	1.3
188.04738	0.8
189.05519	0.8
190.06247	6.7
195.08124	1.6
196.05222	1.4
197.06017	2.4
197.10167	0.4
203.07127	2.0
204.05859	0.5
205.06587	1.6
207.08093	1.4
208.05318	0.8
209.06020	2.6
210.06781	0.8
211.04042	0.7
211.07608	2.5
212.04773	1.3
213.05551	1.2
218.07610	0.6
221.06036	2.0
222.05148	7.1
223.07549	6.8
224.04790	1.3
225.05518	3.2
225.09233	1.1
226.06302	1.1
227.07004	0.7
232.05258	0.9
233.06044	6.1
234.06882	1.1
235.04008	1.3
235.07573	2.7
236.04771	0.7
237.05577	2.8
238.06374	1.3
239.03410	0.5
239.07068	7.0
240.04250	1.1
240.07724	1.4
240.10559	0.4
241.05055	1.7
241.08600	2.7
248.04836	0.6
249.05528	4.1
250.06297	3.8
251.07088	12.3
252.07683	2.2
253.05040	1.2
253.08733	1.7
254.05821	2.2
255.06586	0.9
261.05551	6.8
262.06219	2.6
263.07108	2.3
264.04254	1.6
264.07822	0.8
265.05106	1.0
267.06577	11.5
268.07394	4.4
269.08160	23.1
270.08588	1.9
277.05014	1.2
278.05844	2.5
278.09491	1.7
279.06598	19.8
279.09390	0.7
280.07217	2.8
281.08093	1.1
282.09052	2.7
283.09723	5.5
284.10233	0.5
293.08270	1.4
294.08939	8.8
294.85306	0.5
295.06055	0.6
295.09351	1.1
296.06870	2.1
297.07672	94.4
298.07980	6.9
298.11285	0.7
309.07584	0.9
309.11298	31.0
310.11707	3.2
311.09174	4.4
312.10016	60.0
313.10275	5.5
327.12338	100.0
328.12659	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	327.1238
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68968	0.2
52.41259	0.1
59.01249	0.2
65.00198	0.3
67.01745	0.1
71.32651	0.3
77.03827	1.2
81.66486	0.1
93.03325	2.3
95.01255	1.4
95.04921	1.8
105.03329	0.5
119.04971	0.2
121.02838	16.1
122.03170	0.5
123.04415	0.9
129.03336	0.5
130.04114	0.2
132.02068	1.0
134.07451	0.2
137.04555	0.1
139.81171	0.1
145.06535	0.3
146.03613	1.3
147.04431	3.0
148.01552	0.6
149.02341	100.0
150.02689	3.4
153.05466	0.3
155.24362	0.1
161.06001	0.5
163.03944	0.3
164.04698	14.7
165.05492	4.9
166.05815	0.2
179.07047	1.1
206.69376	0.1
223.07529	0.1
234.06789	0.2
235.07530	0.5
239.07310	0.2
239.10062	0.1
240.07944	0.3
251.07043	0.8
253.08817	0.2
264.07889	0.4
265.08600	0.4
267.06638	0.3
268.07370	1.6
269.08173	1.4
279.06552	0.4
280.07401	1.4
280.32983	0.1
281.08047	0.9
283.09769	2.8
284.10257	0.6
295.09665	0.4
297.07700	1.4
312.10016	24.2
313.10376	2.2
327.12347	26.9
328.12692	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	327.1084
Annotation	Unknow
Peak:m/z	Relative Intensity
55.26210	0.6
57.03322	0.8
58.00460	1.0
59.01249	35.7
69.15910	7.0
71.01254	19.3
72.99202	4.2
73.02826	0.8
83.01257	1.5
85.02814	5.8
89.02315	19.1
95.01287	1.3
98.19744	1.6
101.02314	11.8
103.05391	0.9
113.02338	7.4
119.03397	10.0
119.04890	4.0
123.04426	0.9
129.01843	0.7
147.04417	100.0
148.04758	5.3
149.04549	0.8
161.04524	1.1
165.05476	14.3
166.05812	0.9
322.04358	0.7
327.10840	68.5
328.11176	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	327.1236
Annotation	Unknow
Peak:m/z	Relative Intensity
69.79192	2.8
74.53752	0.4
93.03343	2.4
102.61038	0.5
108.02018	0.6
109.02829	2.6
119.04950	1.1
120.13435	0.5
121.02843	19.9
131.04918	0.8
135.04460	1.1
145.02831	1.1
146.03671	0.7
147.04431	6.7
148.05197	1.5
149.02380	0.6
158.03638	3.4
159.04448	2.0
163.03931	3.2
171.04414	1.3
173.02379	0.7
175.03915	20.0
176.04660	1.9
181.06476	0.7
183.08348	0.5
185.06015	0.7
187.03998	1.4
188.04730	0.8
189.05537	1.4
190.06271	4.9
191.07065	3.3
193.06529	0.6
195.04477	0.6
195.08087	1.4
196.05263	0.8
197.06052	1.8
199.07494	0.6
203.07103	1.6
205.06592	1.4
207.08170	1.3
208.05225	0.9
209.06035	3.9
210.06741	0.5
211.03998	1.2
211.07654	2.0
212.04607	0.5
213.05531	1.8
221.06096	2.3
221.56357	0.5
222.05040	4.6
222.06905	1.8
223.07599	7.0
224.04710	1.3
224.08153	0.7
225.05496	1.7
225.09038	0.9
226.06073	0.9
227.07170	0.8
232.05281	0.7
233.06047	6.4
234.06728	1.3
235.04044	1.0
235.07574	3.0
236.04820	2.0
237.05653	2.5
238.06335	1.0
239.03465	0.9
239.07085	7.3
240.04324	1.2
240.07809	1.8
241.05074	1.8
241.08614	2.3
248.04922	0.8
249.05505	4.4
250.06339	4.4
251.07103	15.0
252.07709	2.1
253.05052	1.0
253.08681	2.1
254.05875	2.3
256.07385	1.0
261.05573	13.1
262.06155	2.9
263.07071	1.9
264.04242	2.9
264.07495	0.8
265.04883	0.8
265.08688	1.5
266.05930	0.9
267.03964	1.0
267.06619	12.3
268.07349	5.9
269.08151	19.2
270.08438	1.2
277.05026	2.0
278.05835	3.2
278.09439	1.9
279.06613	31.5
280.07126	4.8
281.08353	1.0
282.09045	1.7
283.09729	7.1
284.10159	1.3
293.08228	1.3
294.08954	13.8
295.06253	0.8
295.09445	1.4
296.06912	3.0
297.07681	100.0
298.08029	8.9
309.11319	22.2
309.15027	0.8
310.11655	1.2
311.09268	4.9
312.10004	56.7
313.10339	4.8
327.12357	94.5
328.12717	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	327.1084
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01738	2.0
55.57196	0.4
57.03322	6.1
59.01242	1.6
59.61111	0.4
70.84583	1.6
71.01248	1.6
79.05403	5.9
81.03331	5.4
83.01243	3.0
85.02819	33.7
86.03137	0.6
101.02309	2.2
111.00763	7.9
113.62594	0.5
121.02840	7.5
123.04405	100.0
124.04741	3.1
124.94593	0.6
129.01828	13.0
147.04407	1.3
149.02342	2.0
161.04462	1.2
177.04001	0.7
205.03490	4.5
232.53955	0.5
236.07616	0.5
265.74042	0.5
302.45865	0.5
312.10117	0.9
327.07437	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1085
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00473	1.5
59.01251	45.0
70.99724	1.9
71.01252	22.3
72.99166	4.5
82.12358	0.8
83.01235	1.0
85.02820	5.7
87.00688	0.9
89.02314	17.1
95.01247	1.4
101.02316	12.1
113.02331	6.9
119.03378	6.9
119.04862	4.3
123.04403	7.3
147.04420	100.0
148.04755	3.7
165.05487	15.6
179.05595	1.3
327.10825	57.1
328.11270	4.8
328.14758	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1083
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	1.7
57.03331	1.1
59.01247	100.0
69.03323	1.8
71.01252	40.0
72.28046	1.0
72.99175	3.2
73.02817	46.5
75.00738	1.5
76.12286	0.9
80.37851	1.0
81.03339	1.6
83.01257	11.5
85.02821	7.5
87.00740	2.1
89.02325	8.4
93.03322	3.3
95.01247	1.7
95.04902	1.2
97.02847	1.8
98.19972	1.2
99.00725	2.8
101.02316	39.3
105.03290	1.3
107.04901	3.3
107.56808	1.1
112.01448	1.0
113.02325	12.2
119.03378	4.0
119.04906	4.8
121.02810	6.1
121.06518	1.2
123.04403	76.5
124.04749	2.2
125.02320	1.9
131.03395	3.5
131.04903	2.1
135.04492	1.5
143.03433	2.1
147.04407	10.3
149.04506	2.1
149.05978	4.4
155.03369	1.8
156.95398	1.3
161.04489	5.6
164.13716	1.3
165.05453	2.9
173.05989	1.5
177.05472	2.2
201.05592	1.7
218.68974	1.1
244.42314	1.2
249.07657	1.8
267.08731	36.1
268.08948	2.7
272.42792	1.1
285.09805	44.3
286.10107	2.5
304.63870	1.3
327.05002	1.6
327.10696	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	327.072
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01747	3.8
57.03321	22.7
58.03662	1.1
59.01234	2.0
69.78724	4.6
71.01251	5.1
72.99168	2.3
73.02817	2.2
75.00740	0.9
83.01260	7.0
84.02035	2.6
85.02821	100.0
86.03152	2.6
98.19950	1.6
99.00756	2.5
101.02322	4.6
111.00755	22.9
121.02833	20.8
122.03212	1.0
122.62677	0.9
129.01828	44.5
130.02139	1.0
152.99025	0.9
158.82800	1.0
161.04410	2.2
177.03955	1.0
187.02425	1.8
205.03459	17.0
236.97917	1.1
327.07294	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	327.0874
Annotation	Kaempferol 3,5,7-trimethyl ether
Peak:m/z	Relative Intensity
51.69436	1.1
54.47080	1.3
59.01250	14.7
61.65435	1.3
69.94833	5.8
71.01256	6.5
72.17659	1.2
73.02812	7.6
83.01244	3.4
85.02834	2.6
93.03340	35.2
95.52065	1.5
96.99199	7.9
101.02312	6.3
102.60683	1.2
108.02039	1.4
109.02815	1.2
113.02310	2.7
117.03358	2.5
119.04921	33.9
120.05244	2.0
121.02837	2.4
123.04420	16.5
125.32037	1.3
130.04141	2.2
131.04926	9.8
133.02832	9.1
137.02318	1.4
143.03853	2.0
143.04938	29.2
145.02844	5.5
147.04442	2.7
163.03925	16.3
171.04388	3.5
172.82140	1.1
210.56328	1.3
211.07587	9.7
219.08023	1.6
221.09595	2.2
223.07625	1.8
235.07758	6.8
237.09207	10.7
247.07593	1.6
265.06033	2.3
265.08707	32.1
266.09122	2.3
267.08707	2.0
283.09909	2.8
285.09750	4.9
299.05582	2.0
309.07767	6.9
327.05167	9.1
327.08716	100.0
328.05627	1.8
328.08966	9.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.072
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	4.3
57.03321	20.1
59.01248	2.1
63.60685	0.3
67.01754	1.5
68.99684	1.0
70.51882	1.1
71.01253	6.3
72.99178	2.1
73.02808	2.6
75.00743	2.0
83.01251	9.6
84.01627	0.3
84.02035	2.2
85.02818	100.0
86.03146	1.9
87.00739	0.7
98.20244	0.7
99.00745	1.0
101.02322	4.6
103.03861	0.4
110.62056	0.3
111.00758	20.8
111.21062	0.3
112.01118	0.8
115.03902	0.4
119.04892	0.8
121.02840	18.8
122.03193	0.9
124.96637	0.3
129.01825	37.9
130.02176	1.0
133.06471	0.4
159.02930	0.7
161.04439	1.9
165.03998	0.9
165.05458	1.7
173.00822	0.6
175.37433	0.3
177.03935	1.0
187.02386	1.4
189.05412	0.3
191.01929	0.8
205.03461	14.1
209.02907	0.9
299.69312	0.4
327.07202	1.5
348.78714	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.0721
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12499	1.2
55.01755	2.7
56.03524	1.0
57.03057	1.2
57.03323	17.4
59.01247	3.3
67.01752	1.6
70.51419	3.6
71.01257	6.3
72.99188	1.6
73.02805	2.1
75.00750	3.0
78.07434	1.1
83.01248	7.2
84.02036	1.8
85.02824	100.0
86.03162	2.4
101.02332	4.8
111.00771	23.6
119.04918	2.1
121.02853	19.5
129.01836	41.7
147.04431	1.5
161.04457	3.1
165.03944	5.9
165.05478	3.4
205.03485	13.5
209.02882	1.8
223.90506	1.2
225.43372	1.3
298.24283	1.0
309.13058	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.072
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01740	3.5
57.03051	1.0
57.03321	17.1
59.01248	5.7
61.16223	0.5
68.99696	0.5
71.01254	8.7
71.12468	0.8
71.12802	1.2
72.99174	1.8
73.02804	1.6
75.00745	0.9
78.96545	0.6
79.05388	0.6
81.03358	0.9
83.01250	7.4
84.01615	0.6
84.02048	2.5
85.02818	100.0
86.03165	1.9
89.02307	3.0
94.34694	0.6
99.00732	1.4
101.02319	6.9
110.99980	1.1
111.00755	21.3
112.01099	0.6
113.02290	0.9
119.03348	1.6
121.02837	18.6
123.04402	7.0
129.01825	37.8
130.02161	0.9
147.04414	4.5
161.04456	2.6
177.03854	0.7
187.02385	0.9
189.05452	0.6
205.03455	15.3
327.07263	1.3
327.10916	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.0721
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12836	2.5
57.03323	19.2
59.01256	7.9
71.01251	7.2
71.41886	3.1
71.49400	4.9
71.50118	2.8
73.02792	3.5
75.00716	3.4
83.01272	9.5
85.02825	100.0
86.03174	3.1
87.04903	3.2
89.02319	4.3
101.02330	6.6
103.03895	2.9
111.00753	23.8
121.02846	18.5
129.01830	37.9
161.04474	3.9
170.57724	3.0
172.82222	3.1
187.70328	2.7
205.03529	14.5
306.05069	2.9
327.12805	4.5
327.21750	5.1
329.90512	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	327.0501
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93446	0.1
52.96012	0.1
55.01751	0.1
59.01248	0.1
63.02263	0.1
65.00189	1.2
67.01754	0.1
68.99693	0.3
69.03317	0.2
69.37704	0.6
77.03835	1.3
78.04199	0.1
79.01764	1.3
81.03328	0.7
83.01258	0.9
85.02833	0.1
89.03825	0.1
91.05385	0.2
93.01824	0.1
93.03323	0.6
95.01256	0.3
95.04892	0.3
97.02830	1.3
103.05441	0.1
105.03345	1.0
107.01263	1.3
107.04950	0.2
108.02056	0.2
109.02834	2.4
117.03370	0.3
119.04927	1.3
120.05256	0.1
121.02843	2.9
122.03174	0.1
123.00765	0.6
123.04415	0.6
124.01540	0.1
125.02332	2.9
126.02682	0.1
131.01340	0.1
131.04858	0.1
132.02043	0.7
133.02844	24.8
134.03288	0.8
135.00746	0.3
135.04413	2.9
136.01526	0.2
136.04716	0.1
137.02350	0.7
139.03902	0.2
143.04872	0.1
145.02858	0.6
146.03491	0.1
147.00815	0.1
147.04420	1.3
148.01563	0.7
149.02354	1.9
150.02847	0.1
150.99277	0.1
151.00294	0.5
151.03929	0.7
157.02815	0.1
157.06485	0.1
161.02345	0.7
162.03102	0.1
163.00273	0.9
163.03914	4.9
164.00990	0.3
164.04219	0.2
165.01834	2.7
165.03238	0.2
166.02287	0.1
167.03488	0.1
167.04924	0.1
169.06442	0.1
171.04385	0.3
171.08047	0.1
172.05052	0.1
173.02367	0.6
173.05994	0.1
174.03107	0.3
175.00346	0.2
175.03917	3.4
176.01031	0.3
176.04286	0.2
177.01834	0.6
181.06555	0.2
183.04405	0.3
183.08047	0.2
184.05211	0.2
185.05971	0.4
187.03957	0.3
187.07521	0.2
188.04689	0.2
189.01814	0.3
189.05486	0.2
190.02667	0.2
190.99794	0.2
191.03427	2.2
192.03767	0.2
193.01352	3.0
195.04488	0.2
196.05180	0.3
197.06039	0.2
198.03201	0.5
199.03929	1.6
199.07574	0.3
200.04660	0.3
201.01836	1.4
201.05434	0.1
202.02454	0.1
203.07048	0.1
205.01256	0.1
209.05977	0.4
210.06789	0.2
211.03964	1.0
211.07457	0.4
212.04712	0.8
213.03593	0.1
213.05513	1.6
214.02667	0.2
214.05876	0.1
215.03419	0.3
216.04060	0.1
217.01419	0.1
217.04947	0.4
223.02393	0.3
224.04745	0.2
225.05516	0.5
226.02544	0.2
226.06149	0.2
227.03384	0.6
227.07025	0.6
228.04199	0.1
229.04959	0.6
231.06618	0.6
235.13196	0.1
237.05540	0.5
239.03494	0.4
239.07265	0.2
240.04216	1.2
241.05034	1.1
242.02222	0.3
243.02817	0.5
243.06511	0.2
252.04190	0.1
253.05162	0.8
253.14445	0.2
254.05753	0.3
255.02939	0.5
255.06606	1.2
256.03690	0.9
257.04483	0.5
259.06073	0.3
265.05005	0.1
266.02310	0.1
269.04584	0.5
270.05405	0.4
271.06119	0.5
281.04532	0.8
282.05130	0.1
283.02469	0.3
283.06146	0.3
284.03238	12.3
285.03632	0.9
297.04062	2.2
298.04785	5.8
299.05576	17.4
300.05948	1.3
309.04095	0.6
325.03708	0.2
327.05069	100.0
327.60791	0.1
328.05417	8.2
330.03528	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	326.151
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03310	1.8
59.01257	1.5
67.25300	0.6
71.01250	1.1
71.29726	1.3
85.02821	5.1
92.04929	10.4
97.06479	1.1
118.02851	3.6
120.04447	1.3
121.02827	0.6
131.03653	9.2
132.04445	100.0
133.04825	3.5
138.17058	0.6
149.59116	0.6
171.10173	4.0
183.13821	5.1
197.11829	0.6
211.13318	3.5
223.16948	0.6
229.14464	0.8
239.16341	0.6
251.16359	1.7
290.18344	1.0
299.14001	71.0
300.14337	7.0
308.19595	1.0
309.20639	0.7
326.15125	1.4
326.20438	2.0
327.04965	1.3
327.21762	35.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
53.24527	2.6
57.19088	2.2
59.01240	17.0
59.63607	2.3
59.75200	2.3
61.41352	2.5
66.15006	2.1
66.84307	2.3
69.03316	3.2
71.01241	2.8
71.68525	2.6
85.02810	5.4
85.06498	2.6
96.96819	2.4
97.06451	2.7
109.06523	2.7
111.08071	2.8
114.05486	5.6
116.92711	10.1
125.09614	5.8
127.60693	2.5
129.09062	4.1
131.03647	4.2
132.04446	15.5
132.12428	2.8
134.04630	3.3
155.10680	2.9
170.99832	4.6
171.10205	15.6
183.17102	2.6
185.11705	8.5
196.10553	3.1
197.11687	6.9
211.13319	8.6
229.14406	4.2
230.81967	2.4
265.18051	3.8
290.18384	3.6
291.19516	4.4
299.05698	3.4
299.14099	9.7
308.19412	6.8
309.20581	6.9
326.09946	4.0
326.20575	15.1
327.04889	18.1
327.13092	5.9
327.21756	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	325.2384
Annotation	Unknow
Peak:m/z	Relative Intensity
55.31059	1.4
59.01244	7.1
60.11032	1.7
69.33680	12.3
71.01239	3.4
79.95596	1.8
101.02323	2.2
112.10571	1.3
119.04945	1.8
119.70377	1.4
139.11212	2.3
151.11151	3.0
163.05972	3.0
171.10162	8.9
183.01091	15.9
183.10139	5.2
193.07097	4.1
197.02713	27.7
211.04262	1.9
230.02538	1.8
265.21835	1.6
275.20181	5.0
293.21198	10.7
299.93024	1.3
307.19540	1.9
307.22806	6.2
310.21487	2.9
325.11850	3.2
325.18378	74.4
325.23822	100.0
326.18802	7.2
326.24182	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	326.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	2.2
61.98680	0.4
69.03313	0.3
69.17591	3.2
69.17997	0.5
71.01263	0.8
83.04889	0.6
85.02808	0.7
89.02312	0.4
92.04932	12.4
93.03332	0.6
97.06473	0.6
98.20662	0.4
102.03423	0.4
107.03699	0.4
118.02860	3.4
120.04482	1.8
125.09576	0.5
127.07562	0.9
129.09084	1.3
131.03667	6.2
132.04439	100.0
133.04814	4.1
141.09093	0.4
144.04341	0.4
145.59428	0.4
146.02399	0.8
153.09024	0.5
171.10127	2.9
172.10582	0.9
181.94562	0.4
185.11749	2.3
197.11729	2.2
201.11279	0.7
209.11754	2.1
210.12079	2.0
211.13440	1.0
212.13635	0.8
221.11674	0.7
234.11964	0.7
239.16338	0.5
250.15137	0.4
255.14961	0.4
290.18280	0.7
291.19626	1.0
299.13992	45.2
300.14307	4.9
308.19446	3.3
309.20663	1.3
326.15039	2.3
326.20538	3.3
327.05170	0.8
327.21732	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	325.2382
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01223	6.3
68.51966	1.2
69.38168	2.5
69.38575	7.3
71.01237	3.5
71.01623	1.1
73.02826	1.6
79.95567	1.1
85.02818	1.6
101.02312	3.4
125.09595	5.1
127.11199	1.4
134.04623	1.5
134.86914	1.5
139.11179	2.7
163.05971	2.2
163.11182	4.7
167.10681	4.1
177.12718	2.4
178.40384	1.1
181.12263	2.8
183.01147	3.9
193.07060	4.5
195.13779	9.1
197.02689	5.4
197.11725	5.7
203.53740	1.2
244.75687	1.3
249.22177	1.4
293.21164	11.8
307.19293	3.3
307.22830	3.3
309.20660	2.9
310.21393	3.9
325.11310	3.8
325.18295	16.5
325.23807	100.0
326.18661	2.7
326.24063	7.4
342.20529	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	325.2382
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	5.1
71.01237	2.8
71.53191	1.5
73.02821	1.5
75.95313	0.9
79.95622	1.5
89.02315	2.4
101.02316	3.2
165.12717	2.0
183.01102	7.4
193.07094	3.2
197.02731	15.5
249.22156	1.2
291.19485	1.7
293.21255	11.0
307.19214	2.1
307.22638	2.2
310.21555	4.9
325.11282	3.2
325.18362	39.7
325.23782	100.0
326.18643	3.8
326.24203	9.0
330.09048	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.217
Annotation	12alpha-Methylpregna-4,9(11)-diene-3,20-dione
Peak:m/z	Relative Intensity
59.01252	3.7
69.82193	3.1
69.82607	2.4
78.95768	1.0
87.00776	1.7
90.85181	1.0
98.19831	1.3
101.41753	1.0
119.04896	1.3
149.09616	97.8
150.09882	5.2
163.11188	100.0
164.11543	6.4
171.31766	1.1
183.01131	39.6
184.01738	4.1
193.07088	2.2
197.02686	3.1
216.01025	1.3
223.09705	0.9
325.11951	1.7
325.18341	68.6
325.21744	91.1
326.18661	7.0
326.22064	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	325.202
Annotation	Plakortenone
Peak:m/z	Relative Intensity
51.93194	0.9
55.01740	1.1
57.03332	1.1
59.01249	9.7
60.04610	1.0
61.02144	0.9
62.64376	0.9
66.27828	0.9
67.17400	1.0
69.21992	3.6
69.22414	7.3
71.01267	4.2
72.07578	1.1
73.02824	1.9
83.04893	1.2
85.02846	1.5
92.24873	1.1
99.00760	1.3
101.02319	4.3
103.17384	1.1
111.07933	1.4
115.07524	1.6
121.02853	3.7
122.03628	4.8
125.09576	2.0
135.04427	1.1
136.05203	2.5
144.54698	1.1
161.04356	1.3
163.06032	1.6
165.12834	1.4
165.96500	1.1
167.14421	6.6
167.15587	1.1
168.04272	1.4
171.10133	1.3
177.27011	1.0
178.58699	1.1
178.84554	1.0
183.01059	1.5
193.07098	6.9
193.15930	3.8
201.11278	1.7
207.17461	5.3
209.11818	1.7
231.17482	2.6
233.15494	1.9
242.54221	1.1
247.17015	2.9
249.18558	37.1
249.32964	1.1
250.18895	2.2
275.16510	26.0
276.16760	1.6
281.21252	9.6
293.17593	100.0
294.17816	10.9
294.20334	1.0
307.19098	8.5
325.11420	4.3
325.20221	74.9
325.23645	5.0
326.20563	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2019
Annotation	Dinor-PGF2alpha
Peak:m/z	Relative Intensity
57.08173	1.0
59.01237	2.8
70.87766	1.5
70.88089	1.8
71.01254	1.6
73.02840	1.1
80.02547	2.0
81.03337	1.8
81.77746	0.9
83.04899	9.2
84.02007	1.8
84.27336	1.0
86.95386	0.9
97.06450	3.2
97.94266	1.0
99.08072	1.1
101.02288	1.1
109.06466	1.0
112.05173	1.2
115.07539	7.1
119.58922	0.8
125.09605	4.2
127.07519	1.3
127.11114	1.4
137.09602	2.4
155.10716	7.6
158.22546	1.1
163.11200	6.2
165.12756	3.7
167.14294	1.1
171.10170	1.5
178.09894	6.6
179.10521	1.1
185.11694	1.4
191.10684	1.6
193.07085	1.9
197.11775	1.4
207.10277	2.9
209.11769	91.2
210.12112	6.3
211.13243	1.0
236.10548	2.0
238.11810	0.9
245.19130	1.0
249.18600	1.4
265.18069	1.4
281.21240	3.0
289.18011	3.0
300.32990	1.1
307.19153	100.0
307.22601	6.7
308.19437	7.3
325.20068	9.3
325.23865	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	325.2018
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09492	1.6
57.03323	3.0
59.01252	3.3
69.03304	1.9
70.46543	3.0
70.46910	3.3
71.01261	5.0
71.04891	1.7
71.20515	1.5
80.02570	1.5
81.03326	1.9
83.04911	6.1
84.01994	3.5
95.04926	1.9
97.06445	3.3
99.08006	1.9
109.06445	1.5
111.08046	2.3
115.07536	2.3
118.71613	1.4
125.05972	2.3
125.09598	3.6
126.93561	1.5
127.07536	12.5
139.07550	3.3
152.72116	1.9
155.10735	2.0
163.11183	5.9
165.12735	3.0
169.47737	1.7
171.10210	5.3
178.09862	2.0
181.12198	2.1
185.11763	17.3
191.10707	2.5
191.14503	1.5
195.10063	2.3
197.11765	16.1
209.11772	100.0
210.12119	5.6
227.12866	4.3
238.12051	5.7
245.19310	1.7
256.13107	2.4
289.18030	6.7
307.19135	77.0
308.19492	6.7
325.16644	3.0
325.20203	35.3
326.20422	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	325.2018
Annotation	Dinor-PGF2alpha
Peak:m/z	Relative Intensity
57.03311	3.5
59.01244	10.7
60.67901	2.8
61.98724	3.6
71.01231	5.3
71.29832	5.2
85.02827	6.2
95.04865	5.8
97.06481	8.7
98.03618	7.1
99.00762	6.4
105.13159	2.5
111.08035	13.8
123.08092	3.0
125.05987	3.6
139.07550	51.3
141.09099	4.8
166.70442	2.6
171.10143	4.0
183.10234	3.4
185.11746	100.0
186.12080	5.1
191.14314	7.2
193.07231	4.4
197.11752	3.2
199.13377	4.2
209.11792	5.5
227.12825	3.9
228.49620	2.3
245.19086	11.4
253.10660	4.4
263.20148	4.0
279.19748	4.4
289.18112	28.7
290.18423	4.6
307.19144	56.7
308.19272	4.6
309.90298	3.5
325.20255	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.202
Annotation	Unknow
Peak:m/z	Relative Intensity
53.58826	3.6
54.06706	3.8
57.03334	8.4
59.01245	40.6
61.98695	5.6
69.16773	20.2
69.17204	25.7
71.01250	23.0
71.04868	4.0
73.02828	9.7
83.01246	4.4
83.04908	5.7
85.02823	10.1
89.02332	7.7
95.04941	5.6
99.08069	5.0
101.02325	16.3
109.06483	6.4
111.08048	9.9
113.02322	8.3
119.04935	4.8
123.08051	8.2
125.09609	16.5
127.07525	16.3
127.11182	4.0
135.07967	4.6
137.09615	4.7
141.09091	3.9
151.11171	5.5
153.09117	5.0
155.10660	10.3
161.04474	5.8
163.06027	8.6
171.10159	28.8
185.11758	24.5
193.07082	33.1
195.10118	4.9
197.11777	23.3
199.13336	4.4
201.11237	21.2
207.10210	8.1
209.11751	68.2
213.11356	5.3
227.12822	34.3
229.14346	5.6
238.11867	5.2
245.19164	4.1
289.18015	15.6
307.19119	100.0
308.19418	6.6
325.11307	24.8
325.20148	64.9
326.20523	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	325.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03329	10.9
58.48922	1.6
59.01233	5.5
69.03320	2.1
71.01257	3.7
71.04890	14.0
71.07610	2.0
71.07943	2.4
73.02824	2.4
76.51792	1.7
80.02547	3.2
81.03337	1.7
83.04878	2.7
85.06468	3.1
87.04397	3.5
93.03326	1.6
95.04921	2.4
97.02835	3.6
97.06453	6.8
106.96812	1.5
109.06470	27.3
111.08012	1.7
125.05943	2.9
127.07536	2.4
151.11198	3.3
167.10654	1.7
169.12195	4.6
171.10078	1.6
174.26102	1.4
181.12256	5.7
183.13895	3.1
193.12190	4.4
195.10162	1.6
197.11742	44.2
199.13344	3.4
201.11250	3.4
211.13335	53.0
212.13727	2.1
213.11292	2.8
219.13895	1.7
223.13197	1.5
227.12822	2.1
233.11356	1.9
235.13365	15.4
236.13496	1.5
237.14944	17.4
249.14940	2.8
289.18112	12.4
302.29071	1.7
307.19107	8.6
325.20178	100.0
326.20615	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	325.2018
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01743	2.7
55.17353	2.1
57.03318	4.5
58.00460	5.1
59.01249	21.2
69.03333	1.9
70.98704	5.1
71.01250	14.1
72.99182	2.7
73.02825	4.0
81.75174	1.8
83.04891	4.2
84.02029	4.4
85.02828	4.0
89.56790	1.9
95.04913	2.1
97.06458	5.8
99.98991	1.9
101.02298	2.5
105.07017	4.1
106.04142	3.1
109.06488	5.2
111.08038	37.7
121.06445	3.3
123.08041	25.2
125.09610	9.3
127.07526	9.5
127.11157	9.6
135.08044	11.1
137.09544	2.9
139.11203	4.8
141.09145	2.3
151.11134	4.8
153.09129	12.1
155.10652	14.0
157.12280	3.8
163.07448	2.0
163.11165	5.2
165.09082	3.1
167.10670	9.9
169.12195	2.4
169.24104	2.0
171.10175	85.5
172.10628	3.9
181.12282	2.6
183.01132	3.5
183.10143	12.0
185.11768	60.2
186.12036	2.6
191.14258	3.2
193.07082	4.6
195.10219	8.3
197.11755	42.8
199.09677	3.1
201.11252	82.9
202.11546	4.0
207.10178	5.1
209.11833	10.6
211.13429	2.8
213.11241	25.9
221.53201	2.6
225.11267	3.9
227.12854	4.7
241.63058	1.9
245.19035	9.6
263.20096	3.7
266.22961	2.3
289.18066	22.2
307.19070	17.3
325.14612	6.4
325.20184	100.0
326.20474	6.9
339.88553	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	325.2018
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36708	1.1
65.20554	1.2
71.01245	4.2
71.04844	1.4
71.26685	1.5
71.27028	1.6
72.02023	1.4
83.04885	4.0
84.02048	3.1
97.06455	2.7
99.08022	3.1
112.05161	2.0
115.07505	2.5
123.08028	1.6
125.09592	6.9
127.07549	16.2
135.08084	1.9
137.09637	1.2
139.07521	4.2
152.35692	1.1
153.09116	16.8
155.10664	3.4
163.11166	3.6
165.12781	2.3
171.10188	14.4
178.09886	3.7
179.10553	1.3
181.12270	1.3
183.25284	1.1
185.11739	18.5
191.10782	1.6
197.11732	16.6
198.12016	1.7
207.10280	1.4
209.11769	76.3
210.12109	3.6
211.13333	1.5
236.10495	1.5
238.12125	8.8
239.12488	1.3
245.19136	2.3
255.12268	1.4
256.13171	6.1
289.18082	8.3
307.19125	100.0
308.19418	9.0
325.20181	45.1
326.20566	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	325.1137
Annotation	beta-D-Galactosyl-(1->4)-L-rhamnose
Peak:m/z	Relative Intensity
57.03298	4.6
58.00471	4.2
59.01247	100.0
70.97981	10.0
71.01252	37.8
72.99172	7.8
73.02819	22.3
83.77007	4.0
85.02818	26.5
85.27370	4.1
85.99989	4.9
87.00761	5.4
89.02317	30.0
101.02313	55.9
102.02675	4.0
103.03893	23.8
117.03357	5.3
119.03385	13.1
119.04890	11.7
131.03328	6.5
143.03365	7.4
154.84909	5.1
161.04424	5.7
163.03906	12.4
163.05988	37.6
174.15405	4.0
193.07098	12.2
202.75732	4.4
205.07071	13.4
263.71487	4.4
297.07605	11.6
325.06891	24.2
325.10922	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	325.1841
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	1.8
59.01237	2.9
69.93359	4.4
71.01230	0.8
71.13233	0.8
72.97403	3.3
74.59216	1.1
83.78333	1.0
85.01051	2.1
86.98964	4.8
89.00813	0.8
98.98991	1.4
107.11433	0.8
109.06484	1.0
113.04182	2.1
113.46420	0.8
125.09605	1.5
127.02152	4.2
127.11169	3.4
151.11197	1.1
153.12750	1.1
154.04483	1.9
156.06058	11.3
163.11157	1.0
165.12755	3.6
167.10721	0.8
167.14293	1.2
177.12770	0.8
179.10709	1.3
181.12254	9.6
182.07614	6.6
195.13737	1.1
197.02808	1.0
197.06343	1.5
197.09984	2.9
209.11781	1.3
211.13261	1.0
213.09442	1.6
215.11055	19.1
216.11359	1.4
223.11517	1.4
223.13402	1.2
244.11403	3.9
247.20561	4.9
249.22194	2.3
256.11346	1.1
263.20132	1.2
265.21588	1.4
273.18585	4.9
291.19644	67.2
292.19940	6.8
293.21198	9.8
294.21609	0.9
307.17419	2.5
310.21643	5.2
325.18387	82.7
325.23801	100.0
326.18652	8.2
326.24057	9.3
349.86987	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1079
Annotation	Moracin O
Peak:m/z	Relative Intensity
50.59955	0.5
51.37284	0.6
59.01236	1.7
61.74787	0.6
67.73163	0.6
70.60541	1.4
70.60887	0.8
70.94414	0.5
73.02806	0.6
85.02827	0.6
86.42804	0.5
108.02040	0.8
109.02818	0.9
117.03362	0.9
121.02823	1.8
135.04417	0.6
138.94420	0.8
145.02914	0.7
146.03703	0.6
159.04440	1.0
161.02249	0.8
167.08612	0.6
173.02365	1.3
183.04333	0.6
186.03008	0.8
187.03926	0.9
188.04672	0.7
189.05353	0.7
193.06772	1.8
195.04495	2.7
195.08125	3.6
196.05222	2.4
197.05962	2.0
209.06039	1.6
209.11766	0.7
210.06847	0.8
211.03932	1.8
211.07558	3.3
219.04483	0.6
220.05226	0.8
221.06027	4.8
222.06731	2.2
223.03934	2.4
223.07632	3.4
224.04681	3.1
225.05420	1.9
226.35257	0.7
236.04828	0.8
237.05525	14.7
238.06288	4.6
239.07045	9.2
240.07495	1.0
248.04694	2.7
249.05545	9.6
250.06194	2.9
251.03516	3.9
251.06970	3.2
252.04109	1.1
252.07832	0.8
265.04956	4.9
266.05746	5.2
267.06592	42.1
268.06989	3.0
277.05032	4.6
277.84708	0.5
278.05826	1.7
279.06683	2.9
280.07352	0.5
281.08203	3.1
282.08942	0.6
292.07278	0.9
294.05493	1.3
295.06091	100.0
296.06430	9.0
309.07709	4.9
310.08441	67.4
311.08713	5.3
325.10782	95.8
326.11105	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	325.0926
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	1.6
70.78263	0.5
70.78623	1.4
71.01260	0.8
75.00742	1.0
85.02792	0.6
101.02317	2.3
119.04911	91.5
120.05252	3.4
160.27081	0.5
161.04466	1.1
163.03911	100.0
164.04269	4.6
179.05501	1.7
193.07072	1.5
233.85229	0.4
250.97688	0.5
325.11377	1.1
327.66537	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0928
Annotation	4'-O-beta-D-Glucosyl-cis-p-coumarate
Peak:m/z	Relative Intensity
50.16520	0.9
57.03313	1.2
59.01246	3.1
64.88508	1.2
65.55511	0.9
68.00670	1.1
68.91263	1.1
69.69088	4.1
69.69501	2.4
71.01254	1.7
87.63680	0.9
95.52039	0.8
100.92258	1.0
101.02333	2.7
112.42844	1.1
119.04919	100.0
120.05259	3.1
161.04401	1.0
163.03923	78.7
164.04268	4.2
193.07129	2.7
258.55530	1.1
325.11356	1.2
325.20050	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	323.2226
Annotation	Annosquamosin G
Peak:m/z	Relative Intensity
58.99277	3.3
59.01250	41.3
59.57965	3.2
60.93195	3.5
62.82754	3.0
65.65332	2.9
69.21304	21.5
69.21723	13.0
71.01243	20.4
83.04867	4.6
85.02818	11.1
87.00738	5.7
89.02298	9.7
95.01295	4.3
96.95911	17.1
101.02324	8.0
113.02315	11.6
125.02279	4.4
129.76659	3.0
129.81992	3.5
143.03348	4.3
150.05568	3.4
161.04472	12.5
165.12753	19.2
171.10165	13.6
209.11691	5.4
215.42058	3.2
247.20663	7.7
273.18649	8.7
291.19659	100.0
292.20129	5.5
305.17810	5.5
305.21182	32.3
323.09668	5.9
323.19064	8.2
323.22299	49.4
324.22473	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	323.2226
Annotation	Annosquamosin G
Peak:m/z	Relative Intensity
57.03313	4.3
59.01250	49.5
61.98692	4.5
63.62376	2.4
69.83405	15.8
71.01263	18.5
71.04886	11.9
73.02796	3.3
81.03308	2.4
83.01274	4.1
83.04901	6.0
85.02808	9.8
87.00729	4.6
89.02309	9.6
95.01257	4.3
95.04872	4.1
96.95897	6.3
97.06458	5.5
101.02306	8.6
103.50272	2.5
107.04892	5.7
109.06464	5.4
111.04438	3.7
111.08047	5.2
113.02331	11.2
115.07494	4.6
119.03382	3.7
119.04940	3.5
121.10127	13.1
123.08026	4.2
125.09631	21.0
127.07536	2.6
135.08084	5.1
137.06078	2.6
137.09592	17.1
143.03455	5.5
149.09612	9.5
151.07523	5.5
151.11186	3.9
153.09134	11.5
155.07115	2.9
161.04466	8.7
163.11217	6.2
171.10181	28.5
177.12703	5.7
185.11766	25.8
197.11765	7.1
207.10193	6.0
209.11804	19.4
217.15959	6.2
223.13399	3.9
225.11285	5.6
227.12810	3.2
252.10049	3.0
261.18698	6.5
265.17975	4.8
273.18567	6.6
279.19589	5.4
287.16501	7.3
291.19669	100.0
292.20010	11.0
305.17532	33.8
305.21179	45.3
306.17728	3.0
306.21552	4.4
323.09875	8.1
323.18579	20.3
323.22238	84.6
324.22488	6.0
346.07770	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03550	1.2
57.03319	2.4
59.01250	17.3
71.01254	8.7
71.52134	2.1
73.02819	1.8
85.02825	3.7
87.00743	1.9
89.02320	4.7
95.04885	1.5
97.96252	1.4
101.02337	4.9
107.04884	1.6
113.02327	8.3
118.27477	1.3
119.03395	1.9
125.09578	1.5
143.03424	3.1
161.04456	4.8
165.12715	7.1
186.35747	1.4
191.14162	1.5
237.14880	5.2
240.84801	1.4
247.20586	3.0
273.18546	2.6
291.19653	79.4
292.19968	6.8
305.21069	1.6
308.19946	5.6
323.09784	6.0
323.16409	3.1
323.22253	100.0
324.22650	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	323.2225
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62791	0.8
55.19019	0.9
57.03319	1.2
68.15990	0.9
69.39116	8.6
89.91628	0.9
95.04868	1.1
123.08015	1.9
125.09610	5.7
127.07532	1.6
128.58749	0.9
140.39009	0.9
145.69316	0.9
147.32877	1.0
149.43582	0.9
163.11215	4.9
165.09091	4.3
165.12784	1.3
177.12781	1.3
181.12236	3.0
185.99651	0.9
197.11742	6.1
207.10216	2.1
221.11789	3.4
239.12856	4.3
273.18726	1.3
291.19641	13.8
292.19998	1.1
305.21069	1.1
307.19006	2.6
308.19974	10.0
323.22247	100.0
324.22601	8.6
329.69458	1.0
340.18631	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2226
Annotation	Annosquamosin G
Peak:m/z	Relative Intensity
52.59727	2.0
55.90387	2.1
57.03327	4.8
59.01251	23.4
59.05216	2.0
62.87433	2.0
70.42613	6.7
71.01250	13.6
73.02814	2.8
77.86061	2.4
83.01231	3.5
83.04917	2.6
85.02827	7.1
86.15709	2.2
88.60807	2.2
89.02329	5.2
95.01219	2.8
95.04903	3.2
97.06459	11.0
101.02303	4.2
107.04913	3.9
113.02303	6.5
124.05194	6.5
125.02386	2.6
125.05975	52.2
125.09593	3.9
126.06735	8.5
133.16550	2.0
143.03429	3.0
161.04494	4.4
163.11148	3.2
165.12762	10.7
177.12778	3.3
177.51334	2.5
181.12134	2.9
193.12274	2.9
197.15350	3.3
209.11766	2.9
221.11670	3.7
223.13423	3.1
225.14912	2.1
249.14931	2.2
252.13528	7.2
253.14420	27.1
254.15155	27.0
273.18686	5.3
285.58524	2.5
291.19672	54.0
292.20129	4.4
305.21185	9.9
308.19553	2.2
323.09906	4.0
323.16663	15.6
323.22260	100.0
324.17279	2.2
324.22574	9.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1862
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	13.1
59.01250	100.0
61.98690	18.6
62.91397	5.0
64.53427	5.7
66.02514	5.2
69.03325	5.6
70.68877	18.2
71.01258	46.9
71.04887	12.3
73.18444	5.6
79.92532	5.5
83.01262	12.2
83.04893	10.5
85.02816	22.9
87.00754	11.4
89.02330	25.7
95.01288	6.2
95.04913	16.1
97.06470	14.5
99.04379	7.4
101.02332	22.6
109.06468	17.6
113.02313	36.0
113.05907	7.1
119.03412	5.1
123.08023	5.7
125.09601	17.5
129.06723	5.1
135.08110	7.6
143.03435	7.1
150.31296	5.0
151.11166	11.6
153.12869	5.5
155.40102	5.6
155.55762	5.5
161.04482	17.2
163.11220	6.0
165.12767	16.8
177.12758	7.5
179.05518	6.1
179.10728	8.2
181.12259	13.3
189.12877	5.7
191.10760	9.6
203.10538	5.3
203.14319	9.9
209.11760	81.4
210.12128	9.0
237.14905	27.7
243.17247	6.1
247.13428	8.0
265.14508	10.3
273.40277	5.3
287.16498	14.6
305.17526	17.3
306.17377	5.6
323.09860	24.6
323.18713	36.9
323.21982	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1861
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81009	1.2
57.03307	1.7
59.01251	12.6
68.79094	1.1
69.03305	2.1
71.01239	5.1
71.04879	2.4
71.49261	1.3
71.49609	2.2
73.02784	1.4
78.09079	1.1
80.02548	3.2
81.03329	2.5
81.24312	1.1
83.01260	1.4
83.04897	8.3
84.02034	1.4
84.55324	1.0
85.02803	4.5
89.02322	2.5
95.04903	6.9
96.95891	3.8
97.02829	2.9
97.06453	4.4
99.04372	2.1
101.02319	3.0
107.04898	13.0
109.06445	5.9
110.03616	1.9
111.08038	1.2
113.02308	4.4
113.05950	2.2
121.06413	1.4
122.03588	2.9
123.00761	1.5
123.04401	2.7
123.08025	2.3
125.02325	3.3
125.05966	5.8
125.09586	9.1
130.02742	1.1
135.04434	1.4
135.08066	6.4
137.09607	1.4
138.06737	1.2
143.03378	1.2
147.04436	1.9
151.07516	2.8
151.11162	1.3
153.09113	14.5
161.04419	2.9
161.09550	1.5
163.11168	7.6
165.12740	12.5
171.10172	4.8
176.08253	2.9
178.09816	2.2
181.12248	3.1
185.11690	2.3
191.10670	2.7
197.11745	13.5
203.50832	1.3
207.10184	9.8
209.11754	90.9
210.12090	4.6
211.13280	1.5
225.11269	10.7
236.10507	2.0
239.12955	1.8
243.17366	3.2
249.14861	2.5
251.16504	2.1
261.14792	1.3
261.18500	5.9
263.16547	2.0
277.18011	3.4
279.15948	4.5
279.19537	4.5
287.16513	15.9
291.19391	2.2
305.17560	100.0
306.17886	9.7
323.09702	2.0
323.18561	19.8
323.22263	4.9
324.18884	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1863
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	10.1
59.01249	19.8
59.01501	3.0
63.69886	2.9
69.03313	5.4
70.42416	10.8
71.01227	4.5
71.04883	14.3
79.38396	3.4
80.02570	5.6
81.03333	11.3
83.01256	13.0
83.04900	9.0
85.02831	5.1
87.04407	3.1
93.03332	6.4
95.04900	40.7
97.06471	19.5
109.06469	5.3
111.04424	5.4
113.05970	6.7
121.02843	4.2
121.06469	3.4
123.04416	9.7
123.08039	8.4
125.05997	5.0
125.09585	32.5
135.08037	19.8
149.09618	6.9
153.09106	5.6
161.09615	3.8
163.11218	9.3
165.09167	3.0
167.10669	3.7
171.10149	5.0
176.64189	3.3
181.12285	4.1
185.11772	26.7
189.12773	5.8
191.10716	6.5
203.14287	11.7
209.11763	100.0
210.12131	3.9
211.13329	9.4
223.13371	5.6
233.11646	4.0
237.14935	7.8
243.17564	10.2
247.13258	8.4
249.14714	4.4
265.14459	29.7
277.18112	3.7
279.19681	5.8
287.16510	15.2
303.36285	3.4
305.17529	38.4
323.14841	4.3
323.18579	80.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1861
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	1.7
58.80863	1.2
59.01248	6.0
62.73953	1.1
64.43124	0.8
71.01239	2.2
71.04868	2.0
71.06503	2.6
76.01492	0.9
80.02556	1.6
81.03327	1.7
83.04896	7.2
84.12444	1.0
85.02814	1.4
95.04887	3.1
96.95924	0.9
97.02836	1.2
97.06451	3.5
99.04336	1.2
107.04908	12.0
109.06467	3.4
110.03609	1.3
111.04381	1.0
113.02322	1.5
113.05970	1.5
121.02840	1.5
123.04410	1.7
123.08064	2.1
125.02313	2.3
125.05988	4.6
125.06763	0.9
125.09585	7.7
131.64668	1.0
135.08014	5.5
150.08929	1.0
151.07477	1.3
153.09103	15.7
155.06903	1.0
157.78101	1.1
163.11200	8.3
165.12755	4.0
171.10172	1.9
176.08328	2.1
177.08998	1.4
178.09854	3.4
181.12212	1.6
185.11734	4.3
190.09946	1.1
191.10635	1.3
197.11757	14.5
207.10165	7.9
207.13658	1.0
209.11760	100.0
210.12062	5.4
225.11212	7.1
227.12869	1.2
236.10524	2.7
243.17357	1.5
245.15427	1.3
261.18591	6.1
263.16406	1.9
269.15356	1.8
277.18152	1.5
279.19699	5.5
287.16547	8.8
291.19699	5.8
305.17569	87.2
306.17923	8.5
323.18515	14.9
323.22214	4.3
324.19104	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1864
Annotation	Unknow
Peak:m/z	Relative Intensity
55.32136	3.1
57.03316	6.3
59.01249	66.4
62.28520	2.8
62.38225	2.9
69.03329	3.7
71.01247	22.9
79.33090	3.0
80.02514	4.2
81.03312	3.4
81.33823	3.0
83.01256	4.4
83.04883	5.7
85.02819	9.9
87.00763	5.7
89.02313	14.4
90.68774	2.9
93.03323	7.2
95.01230	5.9
97.02825	5.3
97.06453	3.5
101.02325	11.3
106.96639	3.5
107.04874	16.0
109.06474	10.6
111.08028	3.7
113.02326	16.2
121.06446	4.9
123.08022	9.3
125.02243	3.4
125.09624	9.3
127.05770	3.4
133.06496	16.3
135.04404	5.2
135.07938	5.7
137.09566	3.8
151.07564	81.8
151.11098	6.5
153.09102	12.8
161.04439	10.5
163.11238	6.1
167.10640	4.2
169.08591	11.3
169.12306	6.3
171.10173	100.0
172.10466	3.9
189.12784	4.2
194.60333	3.9
197.11690	5.1
201.09445	4.2
201.11179	3.9
203.11359	3.6
207.13840	5.6
209.11732	32.1
213.11267	3.6
225.11171	6.4
229.08539	5.3
243.17485	23.8
244.17218	6.1
261.18497	11.4
262.18155	33.7
264.65329	3.8
279.19516	4.6
287.16632	17.3
291.19608	6.3
305.17642	94.7
305.21173	9.8
306.17923	6.5
320.82236	4.7
323.09869	16.6
323.18369	21.3
323.22311	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	323.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28607	0.7
59.01250	100.0
60.01587	1.5
64.72482	0.7
69.11732	0.7
69.48882	2.2
69.49307	3.9
71.01255	2.5
73.02821	1.1
80.20322	0.7
85.02833	2.2
95.01286	1.0
96.95889	0.8
98.19812	1.2
99.00778	1.1
101.02354	2.3
113.02335	2.1
135.62556	0.7
152.58423	0.9
161.04498	1.9
211.77434	0.8
263.14990	4.1
305.13989	0.9
323.05634	1.4
323.09564	0.8
323.15073	1.1
324.02747	1.3
339.88910	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1248
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03305	3.6
58.00440	1.9
59.00958	2.0
59.01250	36.9
64.82442	1.1
69.18930	12.5
71.01256	13.9
72.99174	4.2
73.02792	1.5
81.93686	1.1
83.01289	1.6
85.02818	14.2
87.00729	1.6
89.02311	11.5
89.65810	1.0
90.81124	1.2
96.95856	1.4
101.02310	8.9
103.59650	1.2
119.03365	3.1
145.07640	1.6
147.02888	2.1
160.06371	13.7
161.07117	58.8
162.07433	3.2
164.68352	1.2
175.08690	39.1
176.09036	1.3
189.06619	100.0
190.06956	4.3
191.01846	5.0
203.08203	43.8
204.08559	2.1
209.02988	1.6
229.09656	2.5
276.11630	1.2
305.11243	1.6
306.52661	1.4
323.12509	31.6
324.12885	2.2
335.01389	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	323.0771
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	33.4
63.87825	4.1
69.03291	4.2
71.01259	28.5
71.49304	6.6
71.60332	3.7
74.68428	3.5
77.47765	4.2
83.01242	8.0
85.02829	17.1
86.98901	4.3
89.02357	6.5
93.03336	33.3
99.00758	49.0
101.02317	6.9
108.02008	5.3
111.00762	8.2
113.02316	7.9
117.03345	20.5
119.04901	32.1
130.04160	4.9
131.04910	18.5
132.05696	14.8
133.02858	13.1
133.06496	11.5
135.04431	6.6
137.02264	5.4
143.04936	10.0
145.02834	10.9
145.06482	27.4
147.04422	100.0
149.05992	13.7
156.05632	5.9
157.06497	4.2
159.02885	14.8
159.04355	8.5
160.05222	16.5
161.02242	5.6
161.04738	3.7
161.05991	17.3
163.03943	10.5
163.07544	4.9
169.06488	25.5
171.04366	6.9
173.06023	33.4
175.03925	32.0
175.07567	10.9
177.04019	8.3
177.05501	18.1
187.03925	6.5
187.07556	74.6
189.05495	49.3
191.07040	19.5
201.05504	42.0
202.06001	6.8
203.03461	20.3
205.05060	33.7
217.04967	4.6
219.06575	45.9
221.04486	51.3
231.06644	5.1
261.07626	7.7
263.05576	53.5
264.05905	5.7
265.39761	5.0
279.08694	13.0
323.07669	43.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.2022
Annotation	(-)-Jasmonoyl-L-isoleucine
Peak:m/z	Relative Intensity
57.03321	0.4
58.02844	2.8
59.01240	1.0
71.01247	0.4
73.69169	0.3
81.03327	0.9
83.04903	0.5
95.04916	1.0
96.95894	0.5
97.06464	0.7
109.06494	0.4
125.09586	0.7
128.10704	7.3
130.08629	100.0
131.08977	2.7
135.08093	0.4
155.00711	0.3
165.12791	0.9
172.09793	0.8
209.11734	1.0
271.09436	0.3
287.16373	0.4
305.17566	0.6
322.20215	33.5
323.09836	0.4
323.15143	0.3
323.21008	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	322.0932
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18053	1.0
59.01250	100.0
62.07814	1.0
71.01259	5.2
71.36179	1.4
71.36506	1.1
71.42113	1.0
72.30093	1.0
72.99196	0.9
76.18356	1.1
85.02823	1.9
89.02315	2.9
101.02324	3.4
113.02320	1.2
115.62817	1.2
116.04939	1.7
118.02877	14.3
119.03364	1.3
128.04939	1.6
130.06450	2.1
131.03656	8.9
142.06543	2.5
144.04459	33.7
145.05025	1.7
146.02382	57.6
146.06013	43.7
147.02788	2.4
147.06366	2.2
148.03935	1.2
158.06030	5.8
160.07567	5.6
162.05536	1.9
170.06012	1.6
172.03996	2.6
179.22064	1.1
182.06038	3.9
182.62244	1.2
184.07579	4.4
186.05553	2.2
188.07088	18.4
212.07097	1.9
231.84665	1.1
280.08450	1.6
322.09296	50.7
323.09671	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	321.2433
Annotation	15-OxoEDE
Peak:m/z	Relative Intensity
57.03334	0.5
58.00463	3.5
59.01247	13.1
70.38641	0.6
71.01257	2.9
71.14438	0.7
71.14770	0.7
72.63134	0.5
72.74492	0.6
72.99181	1.7
73.02821	13.3
76.82547	0.6
77.34094	0.5
77.62683	0.6
84.02039	0.7
85.02811	1.6
97.06444	1.5
100.01551	0.8
109.06464	0.6
125.05942	0.9
139.07562	1.1
152.49643	0.5
155.14294	1.7
169.15886	0.7
187.74446	0.6
244.35632	0.6
261.22302	0.7
263.23749	4.2
264.48459	0.6
265.25363	1.9
275.23904	4.7
279.23203	0.6
293.24817	13.7
294.25171	1.7
321.24329	100.0
322.24643	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	321.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	100.0
59.30472	1.0
61.98693	1.4
64.72153	1.1
69.21730	4.8
69.22157	8.4
71.01237	1.1
78.04843	1.2
108.84020	1.3
260.76285	1.4
267.73108	1.2
277.17944	1.3
321.20700	55.4
322.20969	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	321.2433
Annotation	8(S)-HETrE
Peak:m/z	Relative Intensity
59.01250	5.5
59.96058	1.1
64.50574	1.0
71.01237	1.5
71.51174	1.8
71.63459	1.0
78.95766	7.0
80.96385	5.8
114.62236	1.0
121.60841	1.1
195.13791	1.3
223.16968	13.9
224.17606	1.3
233.15346	1.4
239.16440	1.3
251.16451	12.7
252.17078	1.1
256.16693	3.7
284.16278	4.3
303.23215	8.8
321.21198	4.2
321.24335	100.0
322.24695	12.0
333.38004	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08805	2.8
52.49623	3.0
57.03321	4.3
59.01243	19.0
66.85452	2.6
69.03284	3.4
69.36382	9.1
69.36806	16.4
71.04893	100.0
72.05243	3.7
81.03335	5.7
83.04919	4.0
96.44753	2.7
97.06429	3.7
109.06468	6.7
116.61720	2.5
130.49820	3.0
151.02620	2.8
151.11197	13.3
180.81972	2.9
184.54387	3.0
193.12236	6.8
206.57018	3.0
225.14845	5.7
233.15457	13.2
237.14803	6.2
249.14914	7.2
265.18051	4.9
289.18112	6.5
303.15848	3.2
306.18457	15.5
321.20657	62.5
321.24054	3.0
322.20975	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	321.1553
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01749	1.1
56.10849	0.4
57.03319	1.2
58.00453	1.7
59.01248	49.6
60.01569	0.6
69.24648	4.2
71.01249	23.1
72.99172	2.9
73.02817	1.7
75.00734	0.5
83.01246	2.0
85.02824	7.4
87.00772	2.1
89.02312	20.3
95.01276	1.6
99.00740	0.7
101.02319	15.5
111.08047	0.6
113.02332	8.9
113.09599	29.4
114.09943	1.0
119.03385	7.6
127.11129	1.0
131.03409	0.8
133.38303	0.4
141.08105	0.6
141.09114	6.5
143.03409	0.6
143.10646	1.9
150.53107	0.5
155.10718	2.5
157.12199	0.5
159.10165	73.4
160.10486	2.5
161.04536	0.5
179.05522	1.3
183.10242	0.4
201.11272	1.5
213.13812	0.6
262.00424	0.5
321.15515	100.0
322.15897	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	321.1554
Annotation	Unknow
Peak:m/z	Relative Intensity
56.45939	1.4
57.03300	1.8
58.00455	1.5
59.01254	42.0
66.95325	1.4
69.86907	1.6
71.00861	1.5
71.01259	28.5
71.51711	3.2
72.99173	4.2
73.02798	1.7
83.01268	4.2
85.02814	10.2
87.00739	2.8
89.02319	16.6
95.01282	2.0
101.02320	16.9
111.00761	1.6
111.08003	2.1
113.02341	9.2
113.09611	25.1
119.03396	9.3
141.09085	5.4
155.10599	2.2
159.10182	65.1
160.10507	2.2
174.41599	1.4
201.11244	2.3
241.16385	1.5
244.62143	1.9
263.07025	2.0
321.15546	100.0
322.08182	1.9
322.15817	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	321.1554
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03313	9.1
57.44678	1.3
59.01250	100.0
67.55823	1.2
71.01254	10.3
71.50948	1.5
72.99186	1.7
76.24281	1.2
79.87938	1.1
80.31322	1.2
83.01231	1.7
85.02821	45.6
87.00748	1.8
89.02310	6.1
99.00778	1.8
101.02327	3.9
109.42199	1.2
111.00738	5.1
112.08562	1.1
113.02333	2.1
115.07517	1.9
116.67694	1.2
119.03391	2.0
119.04890	1.3
129.01846	6.7
129.09087	1.8
131.69681	1.1
138.05542	1.2
147.02893	2.9
161.04404	1.3
163.03839	1.6
164.52213	1.4
166.04935	1.8
167.05765	3.2
173.00784	1.3
175.02380	2.4
191.01842	10.1
215.14391	1.3
246.86078	1.3
259.10840	1.7
277.11850	2.8
321.10941	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	321.1342
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03313	1.8
59.01247	53.8
59.93095	0.4
69.03319	0.9
69.37727	3.9
79.05431	0.6
81.03310	1.2
83.04895	0.9
85.02816	0.7
97.02855	1.5
99.04391	0.7
107.04871	0.8
109.02834	0.8
121.06478	0.6
123.04402	0.7
123.08070	0.7
125.02299	0.5
125.05965	4.3
133.06506	0.5
135.04408	1.2
136.05206	5.1
137.09630	0.6
139.07530	0.5
147.08052	1.0
149.05882	0.5
151.07544	100.0
152.07909	4.6
158.07304	0.7
159.04291	0.4
159.08012	0.6
161.06097	0.6
161.09758	0.8
164.24176	0.4
165.09116	1.1
167.07127	0.7
171.11711	1.0
173.09596	1.2
175.11209	2.0
177.09132	0.7
179.07059	1.7
184.08891	4.7
185.09230	0.6
187.11195	1.7
189.09111	1.2
189.12820	2.3
199.11226	2.6
201.09235	2.6
202.09846	2.1
205.08688	0.8
205.12286	3.3
211.11142	0.5
215.10677	3.1
217.12267	16.5
218.12746	0.7
235.13354	2.1
243.10428	0.5
245.98534	0.5
259.13388	0.5
261.11252	3.7
279.12399	1.1
321.13293	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1553
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82624	1.1
57.03324	6.6
59.01251	100.0
62.32032	1.1
62.91757	1.2
65.12288	1.0
71.01252	5.8
71.51299	1.4
73.02795	1.7
83.01257	4.8
85.02824	41.4
85.78684	1.1
86.88677	1.0
89.02295	4.4
90.88055	1.0
91.11110	1.1
96.19675	1.0
101.02319	3.0
101.05926	2.8
111.00749	11.6
113.02303	1.4
115.07539	7.0
119.03412	1.5
129.01831	17.1
144.04475	1.5
146.05997	2.3
150.51555	1.0
162.23654	1.2
187.02319	1.6
205.03439	9.3
223.04501	1.7
237.89821	1.2
321.11618	1.4
322.09189	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	321.1189
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97882	1.5
54.38986	1.4
55.01759	2.9
57.03320	13.6
59.01260	1.8
61.68397	1.2
62.28057	1.4
71.01250	4.1
71.04533	2.8
73.02812	1.7
75.00780	1.8
83.01254	10.9
85.02819	100.0
89.72489	1.4
101.02332	4.4
111.00764	33.6
115.07515	13.6
118.94689	1.7
126.49213	1.4
129.01825	57.1
135.65694	1.3
141.51416	1.3
161.04463	2.6
187.02408	3.3
205.03465	33.0
217.54961	1.8
223.04619	6.2
224.97021	1.6
321.11819	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.119
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	4.5
57.03322	22.7
59.01252	7.3
67.01751	1.6
68.99676	1.2
69.95357	0.5
71.01259	8.6
72.99169	1.4
73.02814	2.6
75.00761	0.9
75.93113	0.6
81.32154	0.6
81.98383	0.8
83.01268	9.7
84.02039	2.5
85.02821	100.0
86.03149	1.6
90.26817	0.7
96.95889	2.8
98.20631	1.9
99.00763	0.8
101.02309	6.5
111.00763	34.6
112.01106	1.2
114.01846	0.7
115.07529	18.6
116.07923	0.7
129.01830	45.4
130.02158	1.5
161.04425	2.4
178.55344	0.6
183.10205	1.0
187.02399	1.6
205.03462	22.6
206.03943	1.3
223.04515	4.8
229.58807	0.9
321.11893	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	321.1192
Annotation	Unknow
Peak:m/z	Relative Intensity
54.48930	2.9
55.01763	6.5
55.98764	3.0
57.03323	12.5
59.01260	21.6
71.01258	49.5
71.51684	4.6
72.99194	16.7
75.00776	4.8
83.01262	32.6
84.02041	5.3
85.02826	100.0
89.02319	6.9
99.00771	8.7
101.02337	4.6
111.00771	36.4
115.00285	3.9
115.07533	60.2
117.01817	4.4
125.09589	5.0
129.01851	40.5
129.09024	3.8
133.01306	6.1
136.99387	3.5
137.09601	15.6
143.03415	19.0
147.02924	7.6
150.27740	3.1
155.10681	12.6
173.00871	11.6
183.10197	47.7
209.08156	3.6
253.07167	8.5
271.08237	8.9
289.09119	7.4
321.21756	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	321.1189
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	2.4
57.03053	0.9
57.03323	15.2
58.00455	0.6
59.01250	21.0
68.99680	0.9
69.29568	5.9
71.01266	4.2
72.99162	2.2
73.02798	0.8
74.21960	0.6
75.00735	1.4
83.01257	2.6
84.02032	2.4
85.02822	100.0
86.03170	1.9
87.00756	1.4
89.02372	0.9
97.41435	0.6
101.02326	1.6
103.00253	1.1
111.00767	4.9
115.00271	0.9
129.01826	10.8
129.09076	4.8
130.02005	0.7
147.02901	10.1
163.25139	0.6
173.00804	2.8
175.80722	0.6
191.01900	30.1
192.02264	1.2
197.11879	0.7
209.02954	1.4
241.90543	0.6
252.96664	0.6
257.51996	0.6
321.12054	2.3
337.37686	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.2276
Annotation	20-HETE
Peak:m/z	Relative Intensity
57.03304	1.4
58.00460	3.5
59.01245	14.8
69.03313	1.2
71.01245	2.4
71.04910	0.5
71.50407	1.1
72.99158	2.1
73.02814	14.4
75.29390	0.6
83.04903	0.6
84.02061	0.7
85.02815	1.3
97.06457	1.4
107.04897	0.9
111.08031	1.3
125.05954	1.4
127.07525	0.6
139.07523	1.6
153.12712	1.0
205.19530	1.4
215.22821	0.6
250.15746	1.3
255.21173	1.0
259.20679	1.5
261.22208	2.2
263.23773	1.6
273.22247	4.7
274.22607	1.2
291.23303	8.3
293.21390	1.0
301.21683	1.7
319.22748	100.0
320.23068	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	320.2229
Annotation	Malycorin A
Peak:m/z	Relative Intensity
52.12420	2.7
57.17787	2.5
59.01239	9.7
64.95377	2.5
70.64008	6.4
70.64403	4.3
71.01233	2.8
140.76067	2.3
148.11206	5.2
171.10205	16.3
185.11774	7.0
197.11757	3.5
209.11757	8.2
293.21216	100.0
294.21542	8.4
302.21216	13.4
320.22360	29.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.1661
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02843	4.3
59.01243	1.1
63.06612	0.4
70.89944	1.1
71.04871	0.8
97.06474	1.3
119.07300	1.0
127.53809	0.5
132.08116	0.5
134.09644	42.7
135.09978	1.9
148.11192	0.8
161.08369	0.7
172.11174	0.7
175.09921	2.1
190.12296	100.0
191.12663	6.1
202.12338	2.9
204.13896	6.8
216.13904	1.0
257.16577	1.3
264.14536	0.4
275.17627	21.6
276.17947	2.0
301.15430	1.0
319.16595	8.9
319.22534	0.5
320.16937	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.2276
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00456	4.6
59.01247	17.5
60.58746	1.1
61.92128	0.9
61.98700	1.1
69.03301	1.2
70.08508	1.0
70.08836	4.5
71.01244	3.7
72.99186	2.6
73.02818	20.1
84.02036	1.3
85.02811	2.6
97.06427	2.7
98.20541	1.2
111.08041	1.4
114.03305	1.2
117.49056	0.9
124.14678	0.9
125.05982	2.3
127.07586	1.2
139.07574	2.9
139.11206	0.9
145.02850	1.8
153.12749	1.1
171.10184	2.0
211.39375	1.0
250.15680	2.6
255.21181	2.1
259.20621	1.8
261.22177	2.9
263.23868	2.0
273.22263	7.8
275.23807	1.1
289.21793	1.7
291.23315	15.3
292.23608	1.1
293.21329	5.3
301.21649	3.4
302.21576	1.7
319.22766	100.0
320.23004	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	319.1031
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01753	3.1
56.55923	2.1
57.03319	17.5
59.01254	10.6
61.26955	2.2
62.62881	2.1
68.99705	2.5
69.26766	19.1
71.01258	11.1
73.02810	2.3
75.00752	4.4
83.01257	8.9
85.02822	100.0
87.00747	2.3
98.19843	3.8
98.20506	4.3
101.02345	7.9
111.00762	33.1
122.86747	2.2
127.07520	2.5
129.01840	28.7
145.02863	3.1
147.02861	3.4
173.00748	2.0
185.35201	2.1
189.06601	2.6
191.01993	3.2
205.03458	30.1
223.04532	60.9
224.04886	5.6
234.49379	2.3
275.17068	2.0
283.07291	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.1031
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01753	3.1
56.55923	2.1
57.03319	17.5
59.01254	10.6
61.26955	2.2
62.62881	2.1
68.99705	2.5
69.26766	19.1
71.01258	11.1
73.02810	2.3
75.00752	4.4
83.01257	8.9
85.02822	100.0
87.00747	2.3
98.19843	3.8
98.20506	4.3
101.02345	7.9
111.00762	33.1
122.86747	2.2
127.07520	2.5
129.01840	28.7
145.02863	3.1
147.02861	3.4
173.00748	2.0
185.35201	2.1
189.06601	2.6
191.01993	3.2
205.03458	30.1
223.04532	60.9
224.04886	5.6
234.49379	2.3
275.17068	2.0
283.07291	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.166
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02847	6.2
71.10735	1.2
72.00786	5.3
80.33883	0.7
82.06493	1.4
91.05408	8.5
93.35159	0.6
112.07549	3.5
118.06524	2.8
126.09143	1.0
129.10231	60.8
129.67731	0.6
130.10570	1.5
135.04367	0.8
141.10191	0.7
147.04413	22.6
148.04747	1.1
153.10249	3.4
154.08630	11.2
164.07079	63.9
165.07382	2.7
171.11304	55.2
172.11610	1.8
183.11249	0.9
190.12334	2.1
216.13794	1.2
233.16551	30.3
234.16881	2.5
261.50681	0.6
275.17609	6.4
277.15485	2.8
319.16602	100.0
320.16940	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	319.0935
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03405	2.0
54.10231	1.8
57.03323	3.9
59.01247	7.7
69.27880	16.7
69.51068	1.7
71.01250	46.6
72.00789	1.7
79.14893	1.9
83.04883	2.2
85.02837	6.0
93.03345	5.0
96.99195	16.8
98.02317	3.7
107.52474	1.8
109.96442	1.8
110.02328	2.4
111.04359	2.7
114.01864	4.0
115.00306	2.7
116.04956	5.4
117.03353	4.5
119.04925	4.9
128.04922	4.2
129.01828	100.0
130.02177	2.8
132.04472	11.7
137.02367	2.5
139.43767	1.7
142.66251	1.6
144.04468	30.2
145.02858	18.0
146.04456	3.2
146.06013	34.0
162.05516	6.6
163.03931	4.1
165.57858	2.0
168.70631	1.6
171.05576	7.7
172.03928	5.7
189.06618	90.6
190.06920	4.0
199.08702	3.6
219.22594	2.0
243.07846	4.1
287.06732	6.4
319.08804	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	319.0935
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03405	2.0
54.10231	1.8
57.03323	3.9
59.01247	7.7
69.27880	16.7
69.51068	1.7
71.01250	46.6
72.00789	1.7
79.14893	1.9
83.04883	2.2
85.02837	6.0
93.03345	5.0
96.99195	16.8
98.02317	3.7
107.52474	1.8
109.96442	1.8
110.02328	2.4
111.04359	2.7
114.01864	4.0
115.00306	2.7
116.04956	5.4
117.03353	4.5
119.04925	4.9
128.04922	4.2
129.01828	100.0
130.02177	2.8
132.04472	11.7
137.02367	2.5
139.43767	1.7
142.66251	1.6
144.04468	30.2
145.02858	18.0
146.04456	3.2
146.06013	34.0
162.05516	6.6
163.03931	4.1
165.57858	2.0
168.70631	1.6
171.05576	7.7
172.03928	5.7
189.06618	90.6
190.06920	4.0
199.08702	3.6
219.22594	2.0
243.07846	4.1
287.06732	6.4
319.08804	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	319.0822
Annotation	4-Coumaroylshikimate
Peak:m/z	Relative Intensity
55.35172	0.7
59.01237	1.3
65.03832	0.8
69.28649	5.0
69.29066	1.5
71.01208	1.1
73.02803	2.6
81.03323	2.1
83.04903	6.1
85.02831	1.3
93.03332	38.7
94.03674	1.3
95.01268	0.9
98.20490	1.5
99.04407	1.4
111.04401	10.7
112.04752	0.8
115.07491	0.8
117.03334	7.6
119.04912	100.0
120.05242	3.3
129.01851	0.8
137.02339	27.2
138.02670	0.8
144.04425	0.7
145.02849	20.7
145.03946	1.4
152.37474	0.7
155.03391	20.4
155.05356	0.8
163.03915	92.8
164.04224	4.7
173.04463	1.4
234.24977	0.7
273.20721	1.0
319.08258	12.5
319.21237	10.6
320.08566	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	317.212
Annotation	ISOSTEVIOL
Peak:m/z	Relative Intensity
51.12215	0.5
56.97281	0.5
59.01237	1.2
61.98686	1.4
71.18314	0.8
71.18655	0.8
105.62046	0.6
124.01534	0.6
126.02831	0.6
126.26281	0.6
163.22641	0.6
167.63898	0.6
169.08583	0.6
206.53308	0.5
209.95140	0.6
287.57635	0.6
317.21194	100.0
318.21558	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	317.212
Annotation	Ichthyouleolide
Peak:m/z	Relative Intensity
56.22981	0.4
71.49734	0.7
71.87976	0.4
83.84216	0.4
92.11408	0.5
106.29300	0.4
108.77966	0.4
109.62293	0.4
116.92228	0.4
139.32069	0.4
158.51610	0.4
159.72409	0.4
166.17488	0.4
187.53690	0.4
201.11862	0.5
215.10719	0.8
227.10657	0.5
228.11461	1.9
283.16922	1.0
284.17776	1.8
299.20135	100.0
300.20465	10.4
317.21185	51.1
318.21478	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	317.2119
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37487	0.5
52.41512	0.5
59.01249	1.4
61.98699	1.5
70.05113	2.5
83.03894	0.5
96.22536	0.5
98.19868	0.7
104.62997	0.5
152.17918	0.6
255.30743	0.6
317.21179	100.0
318.21503	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	317.1605
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03322	2.3
59.01241	6.9
69.03326	2.4
71.01260	5.0
71.04885	6.0
72.99191	1.5
74.50491	1.4
80.96384	1.4
83.04912	2.3
83.43211	1.1
85.02814	1.6
89.02313	2.5
91.03882	3.9
97.02834	6.4
97.06480	4.5
98.20602	2.7
99.00758	32.9
101.02352	1.7
107.39970	1.3
109.06503	1.7
110.03635	1.8
123.08018	1.7
125.09606	11.3
127.11159	2.0
133.11276	1.1
135.08060	3.0
142.02647	2.5
142.90865	1.4
153.12733	1.4
155.14325	2.3
163.11183	17.5
181.12265	58.2
182.12590	3.4
197.11829	1.9
199.13326	39.9
199.15103	2.5
200.13654	2.3
207.10202	52.0
208.10593	3.6
209.11844	1.3
221.62013	1.3
225.11266	95.4
226.11642	4.7
229.30028	1.3
243.12349	100.0
244.12656	6.5
273.12372	3.5
317.05896	2.7
317.10654	2.9
317.16101	74.8
317.19717	10.2
318.16412	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	317.0548
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	0.7
61.61939	0.5
69.03334	0.5
70.62605	1.6
71.01260	7.4
73.02824	1.3
78.95782	1.1
78.98465	5.5
79.95598	8.1
80.96387	67.5
81.03315	1.0
85.02819	2.2
87.00745	2.3
94.97965	11.7
96.95887	1.8
97.02842	1.9
100.60810	0.6
101.02316	2.9
106.97960	2.7
122.97480	3.3
125.02333	2.4
134.97484	3.5
136.93861	0.7
136.98985	1.6
138.93604	1.1
148.99030	5.8
152.98518	5.2
164.98553	9.8
185.08484	0.6
206.99651	2.1
218.90204	1.2
225.00690	15.4
317.05460	100.0
318.05875	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	317.124
Annotation	PD-160725 2-hydroxyethanesulfonate
Peak:m/z	Relative Intensity
50.27381	1.6
59.01256	29.7
62.41333	1.6
64.16608	1.5
69.89086	3.2
69.89518	6.1
70.89097	1.6
71.01248	13.8
78.47146	1.6
84.01979	1.6
85.02817	3.0
89.02304	10.3
101.02302	8.5
109.06482	12.7
113.02331	5.4
119.03376	5.9
129.60854	1.5
137.05989	4.5
139.66109	1.5
155.05739	1.9
155.07047	41.7
317.12396	100.0
318.12677	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	316.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	6.5
61.98693	17.0
70.62617	14.1
75.90892	5.2
80.69379	4.3
124.82643	4.3
127.14650	4.6
143.53656	5.2
209.17625	4.4
220.13432	9.0
222.15001	8.4
262.18073	100.0
263.18408	9.6
289.19162	72.4
316.20300	34.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33062	3.4
56.01614	3.3
59.01240	7.3
59.42862	3.8
61.98681	13.5
63.97997	3.6
69.44392	28.9
70.02231	4.1
75.25732	3.6
98.19806	5.6
141.80803	3.9
163.99249	3.8
167.81151	4.4
193.12323	6.0
210.14925	7.5
220.13373	9.4
222.14912	9.7
262.18091	100.0
263.18402	9.1
289.19211	81.8
316.20331	29.7
317.20596	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	316.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69040	4.9
54.42414	4.4
71.43063	7.6
85.13248	4.7
99.20633	4.4
132.08073	14.7
137.02403	7.5
151.00281	6.3
176.14384	6.1
178.99760	5.5
188.28998	4.7
203.15466	5.3
253.21735	10.1
262.18149	12.5
289.19220	100.0
290.19553	11.2
307.03400	4.2
316.16483	7.3
316.20212	27.7
317.02939	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	316.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49898	4.7
57.08675	4.4
65.29923	4.5
71.49596	7.4
72.99623	5.1
80.89908	4.1
92.99083	4.7
120.82914	4.2
131.44966	4.3
132.08066	22.7
176.14380	20.6
203.15417	9.9
225.11145	5.0
262.18024	37.4
284.71674	4.9
289.19214	100.0
290.19418	9.3
305.37085	5.0
316.16339	6.9
316.19879	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1962
Annotation	TOTAROL-19-CARBOXYLIC ACID
Peak:m/z	Relative Intensity
59.69415	0.3
69.33688	2.1
74.28604	0.3
119.45309	0.3
214.38304	0.3
215.07126	0.3
227.10640	0.3
229.08656	2.2
230.09419	0.3
234.90596	0.3
243.10162	1.0
244.11029	3.4
257.11722	0.8
285.14941	1.3
299.16556	0.8
300.17316	0.9
315.19614	100.0
316.19962	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	315.1964
Annotation	TOTAROL-19-CARBOXYLIC ACID
Peak:m/z	Relative Intensity
52.57523	0.3
55.38195	0.2
57.25077	0.2
59.01245	0.5
65.73360	0.2
70.70935	0.9
73.79315	0.2
78.95770	0.6
95.04912	0.6
96.95906	0.5
100.96903	0.2
101.93588	0.3
117.03351	0.3
123.04375	0.5
135.07999	0.7
145.02840	0.3
151.11177	0.5
153.05423	0.3
163.07547	1.3
164.08354	0.7
165.01779	0.6
196.07332	0.4
201.09125	0.6
204.07889	0.4
215.10677	0.5
229.08745	0.5
231.10333	0.6
243.10236	1.7
244.11043	2.9
254.16695	2.9
255.17108	0.4
257.11789	0.5
257.15421	0.9
258.97842	0.3
267.13889	0.7
269.19107	4.0
271.16928	0.4
272.14099	0.8
278.11417	0.9
282.16257	2.2
285.15164	0.4
287.20160	3.7
288.20541	0.4
297.18643	0.4
299.16382	0.8
300.17249	1.2
314.18781	0.3
315.19611	100.0
315.25552	2.6
316.19971	10.0
333.54990	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1813
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01764	5.2
57.03325	4.7
58.00457	1.3
59.01253	29.9
69.03322	1.9
70.59064	1.8
70.59431	2.0
71.01255	100.0
72.01602	1.9
72.99171	3.5
73.02818	24.5
75.00731	2.1
83.01252	9.5
84.02065	1.1
85.02827	39.1
85.12089	0.9
87.00755	2.1
89.02325	10.6
95.01245	6.1
97.02828	2.2
99.00758	17.1
101.02325	50.1
102.02621	1.2
106.06517	3.2
109.24935	1.2
113.02335	34.9
119.03395	3.6
123.04413	2.4
125.02335	2.4
143.03377	1.6
145.02849	1.4
147.74675	1.0
153.05435	2.7
159.02914	7.1
161.03241	1.2
161.04474	19.7
165.04262	1.0
228.10410	1.7
315.09625	1.0
315.15656	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	315.181
Annotation	Unknow
Peak:m/z	Relative Intensity
53.05764	0.8
55.01748	5.9
57.03320	4.4
58.00462	1.6
59.01249	33.6
69.03333	1.4
69.12255	0.7
69.47473	6.0
71.01250	100.0
72.01601	1.0
72.99180	3.9
73.02816	26.3
75.00745	1.7
83.01258	13.1
84.02003	0.9
85.02819	42.3
87.00735	4.2
89.02313	12.8
95.01259	7.0
97.02838	2.2
99.00761	13.3
101.02319	48.6
113.02325	36.8
116.84370	0.9
117.03268	1.3
119.03384	3.6
123.04385	2.2
125.02325	1.5
129.01819	1.3
139.00267	0.9
139.87653	1.0
143.03416	2.6
145.02881	1.3
153.05467	1.8
159.02910	6.5
161.04465	19.1
205.03467	1.2
269.59018	0.8
315.15884	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	315.0724
Annotation	4-(beta-D-glucosyloxy)-3-hydroxy-benzoic acid
Peak:m/z	Relative Intensity
59.01238	1.0
71.01248	2.4
71.49438	0.8
72.12839	0.8
85.02824	1.6
88.57731	0.8
88.74458	0.8
89.02317	1.1
101.02309	2.0
108.02056	48.3
109.02843	62.3
110.03167	1.6
122.97471	1.2
123.00798	1.0
123.04430	1.5
125.02303	1.2
135.00735	1.2
135.04401	1.4
152.01060	36.6
153.01842	100.0
153.05379	2.3
154.02173	2.4
163.03935	1.0
164.86964	0.8
165.01892	1.1
205.92683	0.8
211.02373	1.6
225.24980	0.8
268.92319	0.9
315.07224	89.0
316.07602	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	315.0721
Annotation	4-(beta-D-glucosyloxy)-3-hydroxy-benzoic acid
Peak:m/z	Relative Intensity
52.52106	1.4
56.72444	1.5
71.01229	3.7
71.12267	3.4
71.12601	1.4
81.03363	1.9
98.31532	1.9
108.02050	77.6
109.02842	85.8
123.04393	2.4
137.64574	1.9
138.61226	1.9
151.03937	2.0
152.01051	42.6
152.56599	1.5
153.01834	100.0
154.02164	2.4
165.01840	1.9
180.73399	1.5
265.82126	1.8
315.07205	43.7
315.15881	2.7
316.07407	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	314.2703
Annotation	Halisphingosine A
Peak:m/z	Relative Intensity
59.01260	7.3
61.98711	1.4
68.43452	1.0
69.41228	8.2
72.38727	1.1
98.20628	1.8
118.04978	2.3
123.04414	1.5
126.65016	1.0
145.02861	1.5
153.05431	2.0
165.01845	1.2
253.21753	1.5
268.26404	2.5
270.24307	1.5
272.23019	2.0
314.27011	100.0
315.05276	1.3
315.16003	2.4
315.19611	7.8
315.27243	6.2
320.49597	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2383
Annotation	9,10-DiHOME
Peak:m/z	Relative Intensity
57.03297	1.4
57.13718	1.0
59.01241	5.3
59.56705	0.9
61.98698	2.7
62.18479	1.1
69.98613	1.4
69.99004	3.0
71.01241	3.0
75.00718	1.1
83.04901	2.4
85.02806	1.3
89.02329	1.9
99.08069	1.1
99.92430	1.0
101.02317	1.9
106.08241	1.0
119.03363	1.1
120.57264	1.1
121.02833	3.6
125.09594	3.1
127.11149	5.1
137.09650	1.1
139.11223	2.2
145.49097	0.9
151.05875	1.1
155.10741	1.7
165.09055	1.1
171.10167	3.7
183.10176	2.1
199.09764	2.2
201.11261	26.2
202.11540	1.2
244.48711	1.1
244.90047	1.0
253.09309	1.8
277.21667	2.8
283.06107	1.2
293.21219	1.3
295.22778	5.5
313.07178	1.2
313.10947	3.1
313.23825	100.0
314.24115	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	313.2384
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03311	0.9
58.00463	1.4
59.01252	3.4
61.98705	0.7
64.92979	0.6
67.96420	0.6
71.01255	1.1
71.35957	1.2
72.99183	0.8
73.02837	1.3
83.04912	0.6
83.52608	0.8
87.05495	1.7
89.02303	1.4
95.77346	0.6
99.08034	1.4
101.02346	1.1
106.82782	0.6
109.09655	0.7
113.02342	0.7
113.94714	0.6
121.02840	1.3
125.09596	6.5
127.11172	7.9
128.11453	0.6
129.09100	0.6
132.76219	0.6
137.09616	1.0
139.11174	1.5
155.10681	3.0
157.12251	1.1
165.09119	2.7
171.10202	10.9
172.59367	0.6
175.35283	0.6
183.10199	2.0
183.13858	2.0
199.09698	2.8
201.11258	48.8
202.11592	2.8
203.83566	0.6
223.20599	0.8
253.09299	0.7
253.21716	0.8
255.03105	0.7
277.21683	8.4
282.24234	0.6
295.22787	7.1
296.22952	0.8
311.22525	0.6
313.23843	100.0
314.24167	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	313.2382
Annotation	(plusmn)12,13-DiHOME
Peak:m/z	Relative Intensity
58.00471	2.9
59.01243	2.3
69.39763	5.0
71.14778	0.6
79.28815	0.6
89.02288	0.6
97.06475	0.8
98.19772	1.1
99.08031	19.5
101.09632	0.6
111.08017	0.9
112.09779	0.7
121.02875	0.7
127.07513	3.0
129.09100	21.0
130.09460	0.9
183.13829	32.4
184.14169	1.6
195.13861	3.9
196.14256	0.7
207.10008	0.8
271.09787	2.7
277.21603	3.0
295.22754	11.8
296.23227	0.8
311.22485	0.7
313.10922	2.2
313.23752	100.0
314.24194	10.3
325.09381	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.238
Annotation	(plusmn)12,13-DiHOME
Peak:m/z	Relative Intensity
52.31126	0.3
59.01233	1.0
71.01269	0.4
71.04894	2.5
73.99448	0.3
81.96534	0.4
83.04899	1.3
89.02325	0.4
90.50199	0.3
91.65369	0.3
98.20581	0.7
113.09573	1.7
121.02893	0.4
121.28271	0.3
125.09600	1.2
127.11163	3.0
129.09090	0.5
139.11182	0.5
141.12764	2.3
145.02797	0.3
151.11194	0.5
155.14299	1.2
169.12338	0.4
171.10138	3.3
172.10571	0.4
183.13823	0.7
192.86523	0.3
213.13925	0.5
251.23753	1.3
267.23273	0.6
293.21207	2.1
295.22806	2.9
311.22150	0.6
313.23819	100.0
314.24136	9.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1784
Annotation	E-64c
Peak:m/z	Relative Intensity
59.01251	1.7
69.03309	0.5
69.63405	0.3
71.01247	1.2
71.15831	0.4
71.43285	0.5
74.84231	0.4
79.05396	0.8
83.04911	0.4
85.02833	0.5
89.02322	0.7
93.03328	11.8
95.04893	0.9
99.07974	0.5
101.02342	0.4
106.04148	0.6
107.04916	2.8
109.06465	1.1
112.28066	0.4
113.02334	0.6
117.96606	0.4
119.03365	0.5
121.06475	1.6
127.07509	0.5
133.02881	0.5
137.40407	0.3
139.03937	0.4
147.08076	1.8
147.11676	0.8
148.01323	0.9
161.09598	0.7
167.14421	0.3
175.11230	0.9
179.06999	0.4
187.03679	1.0
193.12149	0.4
201.08867	0.4
203.06728	0.4
213.08885	0.7
213.14908	1.5
215.10442	2.1
217.08525	0.4
217.11989	2.0
225.16440	0.7
227.17982	3.3
229.08440	1.1
231.10014	1.3
233.07936	0.6
235.09375	0.4
235.13029	0.7
243.10010	2.1
243.17407	0.4
245.11501	0.9
245.19038	5.9
246.19363	0.6
247.09465	4.2
249.11076	4.0
253.09380	0.5
269.15524	0.5
271.09528	0.4
272.13885	0.5
279.12167	2.0
293.15225	0.6
295.16779	1.8
295.22546	0.9
297.14679	0.4
311.16415	0.9
313.17841	100.0
313.23398	16.6
314.18204	11.2
314.24112	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	313.0927
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13330	9.3
54.05401	7.4
55.01751	12.5
55.28082	6.6
57.03308	16.5
59.01259	49.8
62.70820	7.2
71.01253	100.0
71.51216	8.6
73.02812	34.5
83.01248	15.0
85.02825	99.8
89.02308	12.1
90.45422	8.5
97.07714	7.7
99.00764	12.3
101.02322	69.8
113.02317	24.3
121.02809	7.8
159.59540	8.4
161.04398	23.3
180.95326	7.1
253.09280	12.3
313.09744	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	313.1078
Annotation	Leridol
Peak:m/z	Relative Intensity
59.01245	4.6
59.43435	1.4
65.71450	1.4
69.68562	9.6
78.95758	8.9
83.94659	1.7
93.03326	12.5
108.02049	4.7
109.02829	7.0
121.02843	80.6
122.03186	2.6
130.45016	2.0
130.73630	1.5
133.02911	2.0
134.03615	2.3
135.04417	4.5
143.04893	2.0
146.03636	4.0
147.04396	4.8
148.55939	1.5
149.06015	2.6
158.03639	40.2
159.04431	9.3
161.02448	1.6
171.04457	1.9
174.03137	2.0
175.03952	3.5
176.04692	11.3
177.05440	1.9
189.05501	5.9
207.08138	2.5
208.03859	4.0
209.05956	3.9
211.03967	4.6
211.07460	3.1
212.04683	3.5
223.07550	6.6
226.06033	3.1
227.07156	1.7
233.06056	1.8
234.06511	2.7
235.07716	3.1
236.08282	1.5
237.05452	5.2
239.03445	4.6
239.07071	4.3
240.04247	29.9
240.06839	2.2
241.04845	2.3
241.14497	2.0
246.06837	2.1
250.06017	2.4
251.04608	2.0
251.06967	11.5
252.07787	5.9
253.08858	2.3
254.05814	2.9
255.06525	9.0
261.05591	2.8
262.06360	2.7
263.07120	15.5
264.07886	22.9
265.05054	4.5
265.08319	2.9
267.06708	9.0
268.03812	14.0
268.07364	26.6
269.04764	2.5
269.08023	9.2
270.08612	2.9
279.06696	11.2
280.07388	29.0
281.08005	6.0
283.06189	14.1
283.09698	87.1
284.07004	2.5
284.09949	9.4
295.09726	100.0
296.10089	11.0
297.07742	9.0
298.08350	41.3
299.08771	3.4
313.07129	13.8
313.10706	57.2
314.07773	2.1
314.11227	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0929
Annotation	Unknow
Peak:m/z	Relative Intensity
53.93693	10.1
55.83064	9.5
57.83873	10.3
59.01248	40.7
59.83442	10.1
71.01259	100.0
73.02820	32.7
83.01256	29.3
85.02824	88.5
91.99087	10.2
99.00755	19.2
101.02313	71.6
101.14542	11.1
108.02025	10.6
109.02795	9.8
113.02322	31.5
117.90207	9.2
143.17914	10.5
151.05962	11.2
155.82870	11.6
161.04472	35.4
166.28670	12.5
168.41344	9.8
190.05753	11.9
196.88405	10.3
271.25992	11.3
302.58704	11.8
313.09366	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	313.0783
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	5.6
62.00048	0.6
65.98916	0.6
66.91257	0.6
71.01237	1.3
71.52251	1.0
73.14823	0.6
74.98948	7.8
78.06169	0.6
89.02329	1.4
89.04159	14.3
93.00001	6.0
101.02309	0.7
104.64397	0.7
112.98743	0.7
115.29610	0.5
116.07745	0.6
121.02826	1.2
127.31229	0.6
134.53088	0.6
139.11131	0.8
145.02965	0.6
146.11896	0.6
149.00859	8.9
160.37852	0.7
199.02434	0.9
206.99716	3.3
208.97516	0.6
223.02792	100.0
224.02795	7.9
229.48798	0.6
241.03856	1.1
253.09254	1.2
264.98444	1.5
276.14645	0.6
297.04703	9.4
299.02576	0.7
313.07788	6.8
313.10983	1.4
313.17178	2.6
313.23752	2.1
314.07761	1.0
317.52567	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0715
Annotation	Sylpin
Peak:m/z	Relative Intensity
59.01237	0.6
69.17172	0.5
69.17570	2.1
85.02818	0.3
101.02298	0.4
112.94811	0.2
113.02328	0.3
121.02838	100.0
122.03177	3.4
179.83369	0.3
180.05734	0.8
181.06503	4.8
182.06895	0.3
193.93051	0.3
225.05521	7.0
226.05807	0.5
269.08176	0.3
309.17288	0.2
312.22571	0.4
313.03906	0.6
313.07166	15.0
313.10806	0.5
313.14719	0.5
313.23483	0.7
314.07513	1.1
326.73016	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0566
Annotation	Unknow
Peak:m/z	Relative Intensity
54.95014	3.9
55.01741	2.9
56.89750	2.8
57.03321	10.7
59.01239	10.0
64.81245	2.8
71.01247	7.1
71.49062	3.0
71.49558	2.8
72.99173	4.6
75.00756	5.3
85.02823	100.0
89.02283	3.1
111.00771	5.9
119.04839	4.1
121.02831	9.5
129.01862	9.2
147.02855	9.6
150.78271	3.6
151.03908	9.6
169.65082	3.3
191.01906	19.3
253.09421	4.0
309.58691	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	313.0351
Annotation	Gomphrenol
Peak:m/z	Relative Intensity
58.22466	0.4
59.01240	2.0
59.94781	0.4
61.98678	0.5
65.00189	3.6
67.01764	0.9
68.99682	1.4
70.86440	0.4
71.01247	1.5
71.49658	0.5
71.50055	0.6
75.00753	0.5
85.02772	0.6
89.00203	1.5
89.02296	1.0
91.01725	0.5
92.99728	0.7
101.02331	0.5
109.02834	0.7
111.00732	1.5
121.02840	1.8
130.58652	0.4
131.01292	1.9
133.02850	22.1
134.03221	0.7
135.00761	1.8
145.02846	0.7
149.02368	1.9
171.04453	0.8
175.00314	3.6
175.03944	3.6
176.98247	4.5
177.01797	4.2
178.99783	18.5
180.00107	0.6
199.00636	0.9
199.03923	3.8
201.01857	4.3
217.05029	1.1
223.03992	0.8
227.03384	0.8
238.18884	0.5
239.03543	1.0
241.04950	0.9
243.02928	1.7
253.09268	0.8
255.02994	0.9
257.04443	0.8
267.03003	0.9
269.01077	0.7
269.04330	0.6
283.02545	0.7
285.04068	4.0
294.21445	0.6
298.08618	0.5
311.01962	12.4
312.02408	0.7
312.22546	1.9
312.42130	0.6
313.03534	100.0
313.14819	1.7
313.23978	2.2
314.03827	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	312.2547
Annotation	(+)-Prosopinine
Peak:m/z	Relative Intensity
59.01237	2.0
69.20107	0.9
69.21292	7.9
69.21687	1.3
74.02341	100.0
75.00746	1.1
84.04426	1.3
84.06805	0.8
93.70460	0.8
96.84062	0.8
110.09565	1.0
111.21529	0.8
150.05521	1.0
172.56458	0.9
183.01129	2.4
184.01445	2.7
185.00801	1.1
214.16360	1.0
217.25182	0.8
268.26395	4.4
312.17377	12.1
312.25424	47.3
313.16431	1.3
313.25885	5.3
334.70709	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42635	0.5
52.68930	0.6
57.03312	1.3
59.01239	1.1
64.98464	0.5
68.07192	0.5
70.82935	1.3
70.83266	0.6
71.71552	0.5
79.76038	0.5
123.08061	0.9
125.05941	0.6
125.09615	3.2
139.11162	0.9
139.28078	0.6
141.09142	1.7
141.12744	0.7
153.09126	1.6
154.30101	0.5
155.14322	1.5
157.12267	1.1
164.05225	0.6
167.14204	0.6
169.45064	0.5
171.10178	2.5
183.13805	0.8
195.13802	1.3
197.11833	0.7
199.09819	0.5
200.10429	2.8
214.10435	0.5
249.22244	1.8
265.21671	1.1
267.23322	1.4
275.20065	1.1
293.21191	9.3
311.22263	100.0
312.22610	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	312.1103
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18191	0.1
58.71694	0.1
58.92843	0.2
59.01242	0.3
60.19941	0.1
69.14820	0.7
69.15248	1.1
78.29091	0.2
79.17160	0.2
79.95604	0.4
106.02766	0.8
117.01943	0.3
132.03047	1.6
133.03838	54.6
134.04295	1.3
146.04617	0.2
164.86855	0.2
182.07121	0.4
208.07500	0.4
222.07884	0.4
224.09369	100.0
225.09688	6.4
312.06430	0.8
312.11017	15.0
313.03598	0.3
313.07187	0.5
313.11331	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2226
Annotation	Unknow
Peak:m/z	Relative Intensity
54.23158	1.1
57.03318	2.5
57.10949	1.1
59.01250	2.5
66.94537	1.1
71.19276	2.8
80.63030	1.2
85.36185	1.3
95.39046	1.2
99.08043	3.2
106.87901	1.3
113.09609	4.0
127.11231	1.4
129.09094	6.7
139.11191	2.2
169.12250	3.6
171.10143	9.4
176.46336	1.2
181.12231	5.0
183.13838	2.8
185.11726	2.4
186.45313	1.2
193.12250	2.4
197.11726	13.4
199.13341	6.2
201.11261	1.3
211.13365	24.0
212.13663	1.8
287.69672	1.2
293.21249	24.3
294.21439	2.4
311.22256	100.0
312.22552	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	311.2225
Annotation	Unknow
Peak:m/z	Relative Intensity
68.54390	0.4
71.08266	1.0
97.06466	0.6
97.99150	0.5
113.09585	0.6
115.07515	0.7
128.08290	0.6
129.22697	0.4
140.88751	0.4
167.14308	2.2
183.13849	1.9
195.13838	8.9
198.24063	0.5
211.13365	1.7
213.14917	1.1
241.14487	0.5
242.15083	0.9
267.23294	0.5
293.21240	6.0
294.21661	0.7
298.69171	0.5
311.22256	100.0
312.22601	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	311.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	1.3
59.01258	4.1
67.15484	0.8
68.77775	0.8
69.03342	0.9
70.61044	1.7
70.61415	1.7
82.27970	0.8
99.08003	2.0
107.74729	0.8
113.09612	2.8
116.94875	0.7
119.79539	0.8
125.09620	1.3
129.09113	7.6
135.10669	0.8
139.11168	1.6
153.12733	1.0
163.11194	2.3
167.14412	1.1
168.11540	1.2
169.12306	2.0
171.10188	5.3
181.12231	5.1
183.13863	1.8
193.12234	1.8
195.13741	1.0
197.11795	6.2
199.13420	3.8
201.11246	1.0
211.13350	16.5
212.13780	1.0
213.14928	8.4
249.22145	2.5
262.08646	0.9
263.05725	0.9
275.20151	1.6
293.21213	52.3
294.21561	5.3
307.90762	0.8
311.22256	100.0
312.22583	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	311.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	3.2
59.01237	4.0
70.36005	4.1
80.11671	1.1
83.04885	1.1
86.19734	1.1
99.08028	1.7
113.09612	3.9
121.10122	2.2
125.09576	2.3
127.07433	1.6
127.11140	3.6
129.09093	3.3
139.11180	9.6
155.10670	4.0
165.09094	1.2
169.12177	1.3
171.10170	55.7
172.10449	2.5
181.12256	2.7
183.10190	4.3
183.13840	2.5
185.11746	12.3
193.12349	1.5
197.11757	5.3
199.13374	1.5
201.11247	11.7
211.13332	12.7
225.11769	1.0
275.20050	6.3
293.21179	20.7
294.21759	2.4
311.22272	100.0
312.22610	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	311.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03336	1.3
58.00478	1.3
59.01249	1.6
63.11529	1.1
71.08107	2.1
93.36729	0.9
98.19922	1.2
99.08031	3.9
101.63692	0.8
102.80711	0.9
111.08074	1.0
113.09606	4.0
118.09545	1.0
123.50745	1.0
125.09648	1.2
127.11150	1.3
129.09094	7.8
139.11162	1.2
151.11240	1.1
152.63376	1.0
153.12683	1.2
155.10603	1.2
167.10645	1.2
169.12262	3.9
171.10214	5.0
181.12245	6.7
183.13826	3.0
188.61525	1.2
193.12311	2.7
197.11748	18.0
199.13371	8.6
211.13326	24.9
212.13731	2.1
265.21747	1.3
275.20087	2.8
293.21222	18.4
294.21518	1.4
311.22275	100.0
312.22702	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2226
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03955	0.7
55.95588	0.5
56.32279	0.5
60.75954	0.5
69.78432	1.9
69.78840	1.4
69.90748	0.5
80.67665	0.7
98.19786	0.8
113.09576	1.0
115.07534	1.2
127.07555	0.5
149.90094	0.6
167.14334	2.7
183.13806	2.2
185.68843	0.5
195.13818	8.9
211.13306	1.3
213.14899	1.4
235.87935	0.6
242.15021	1.1
265.21643	0.7
283.22687	1.0
293.21249	6.4
311.22260	100.0
312.22641	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2226
Annotation	Unknow
Peak:m/z	Relative Intensity
55.24558	0.6
61.80603	0.6
71.27302	1.2
76.84919	0.6
78.80945	0.7
127.11206	0.8
129.09128	1.0
140.48251	0.6
142.09828	0.8
153.12740	3.4
159.12878	0.5
164.78003	0.5
169.12224	1.8
181.12251	7.9
188.65559	0.6
198.61089	0.7
199.13380	0.9
211.51953	0.6
214.76494	0.6
228.13586	0.8
239.23700	0.7
293.21213	7.1
294.21741	0.9
311.22263	100.0
312.22607	7.4
322.09622	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2227
Annotation	Octadec-9-ene-1,18-dioic-acid
Peak:m/z	Relative Intensity
51.60340	0.4
54.21250	0.3
57.03325	0.4
59.01243	1.4
70.80275	1.1
79.46444	0.3
91.10451	0.4
102.93922	0.4
109.69020	0.4
113.09605	0.6
115.07545	0.8
122.45011	0.4
133.06502	2.4
139.11180	0.4
143.16315	0.3
146.55894	0.3
149.09624	100.0
150.09949	5.5
167.14314	2.0
170.00336	0.5
183.01135	16.6
183.13773	1.1
184.01810	1.6
195.13812	6.3
197.02760	1.0
211.13382	0.9
213.14857	0.5
216.00854	0.5
223.94681	0.4
242.15163	0.5
249.22198	0.9
269.30011	0.4
293.21231	5.0
294.21497	0.5
311.16760	19.3
311.20081	35.5
311.22525	28.1
311.29321	0.7
312.17026	1.7
312.20465	4.2
312.23004	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	311.2226
Annotation	Octadec-9-ene-1,18-dioic-acid
Peak:m/z	Relative Intensity
57.03327	0.7
59.01249	3.8
63.34109	0.5
71.01242	1.0
72.26975	0.5
73.02808	0.6
80.74179	0.5
83.04873	0.7
83.57921	0.5
91.19236	0.6
97.06477	4.7
99.08043	0.8
101.02269	0.6
104.79488	0.5
111.08039	0.8
113.09579	2.0
115.07555	0.6
127.11169	0.6
137.09636	0.5
151.11110	0.6
153.12766	1.0
157.08600	3.2
167.14328	0.9
168.26649	0.4
171.10117	0.8
174.59273	0.5
183.01025	0.5
183.13797	4.6
195.13820	19.9
196.14128	1.0
211.13324	7.9
213.14880	8.1
249.21924	0.7
263.20081	4.5
267.19443	0.6
281.21237	1.4
293.21198	12.0
294.21640	0.9
311.22238	100.0
312.22574	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1864
Annotation	(+)-Neomethynolide
Peak:m/z	Relative Intensity
54.05888	0.6
59.01242	3.2
60.80538	0.6
61.98709	1.1
71.29930	0.6
86.36518	0.6
97.06472	0.7
111.08086	0.7
113.09605	0.8
121.02837	1.5
122.03606	0.7
136.05159	0.7
153.12793	0.8
157.08582	1.6
167.14302	2.1
193.15858	0.9
195.13916	0.7
211.13342	0.9
223.20612	1.6
231.17557	0.6
249.18607	4.8
250.18857	0.7
267.19635	100.0
268.19934	8.5
272.48880	0.6
275.16501	6.8
293.17612	36.1
293.21127	3.8
294.18021	4.0
294.20798	0.8
311.18619	31.6
311.22247	14.0
312.19019	3.3
312.22354	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	311.2015
Annotation	Longithorone K
Peak:m/z	Relative Intensity
50.08659	0.4
50.32763	0.3
52.65380	0.3
54.77110	0.3
59.01315	0.5
62.52040	0.3
70.36877	0.3
70.37216	1.1
95.32757	0.4
133.06497	2.3
149.09615	100.0
150.09964	4.6
167.14270	0.9
183.01125	6.3
183.13756	0.5
184.01799	0.5
195.13823	2.6
197.02527	0.4
211.13231	0.5
213.14906	0.5
216.00706	0.4
250.35472	0.3
293.20636	2.6
311.16452	10.5
311.19589	47.5
311.27289	1.4
312.16934	0.8
312.20032	4.7
312.25168	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1136
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	100.0
61.94545	1.3
64.45915	1.3
71.01234	4.9
71.29559	3.8
73.02818	1.6
85.02833	3.5
93.89727	1.3
101.02324	5.0
113.02310	2.8
124.78535	1.4
143.56348	1.3
161.04430	2.9
163.41232	1.3
269.10184	6.5
280.95990	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	311.1136
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90350	0.6
59.01249	100.0
61.26024	0.5
61.39503	0.5
71.01266	3.2
71.08854	1.3
73.02832	1.5
83.01261	0.9
85.02830	1.9
89.02340	0.9
101.02343	1.8
113.02327	0.8
119.84246	0.6
121.02855	2.5
122.03209	1.9
136.07539	0.6
149.02382	1.1
161.04485	1.3
199.67830	0.6
205.74438	0.6
269.10361	1.5
281.44315	0.6
296.90915	0.6
311.22397	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1685
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86463	0.3
59.01262	0.5
71.08529	0.4
79.95562	1.6
82.41099	0.2
92.90430	0.2
98.95452	0.5
119.04913	1.5
131.95834	0.3
148.65443	0.3
170.00372	1.6
183.01123	61.4
184.01657	3.1
185.02103	0.3
197.02679	1.3
198.03542	0.6
201.99294	0.4
216.00874	0.7
225.05865	0.7
239.07416	0.8
247.20679	0.5
293.68762	0.3
311.16837	100.0
312.17197	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	310.1407
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01236	13.0
62.45244	6.9
66.62299	7.3
69.74381	50.7
98.19884	10.3
101.02275	8.5
108.03161	50.9
109.03947	14.4
110.03481	61.8
110.73694	7.8
127.94108	6.3
141.80978	7.9
152.04543	9.7
153.46654	7.3
165.18727	9.2
177.10210	44.7
178.09776	54.4
181.06360	7.7
207.51080	8.7
220.10831	78.3
242.07666	17.7
293.65723	9.8
304.34137	7.7
310.14117	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	311.0772
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03327	2.2
59.01251	13.1
71.01257	4.9
71.49953	1.6
72.99168	2.9
73.27716	1.2
75.00745	34.8
85.02821	2.9
87.00741	2.3
89.02294	1.6
101.02314	2.4
111.37891	1.5
119.03590	1.6
119.04914	42.5
120.05205	1.4
129.01843	6.3
141.81293	1.4
147.02879	12.1
149.04472	7.0
161.02332	1.6
163.03917	63.1
164.04262	2.6
165.03947	100.0
166.04279	2.3
311.08038	7.4
311.22263	3.6
311.29477	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	311.0924
Annotation	5,2'-Dihydroxy-7-methoxy- 6,8-dimethylflavone
Peak:m/z	Relative Intensity
51.04914	0.6
52.09135	0.6
59.01253	3.1
61.98699	0.6
66.82986	0.7
69.21850	7.0
93.03342	1.3
98.20652	1.1
104.85896	0.6
108.02010	0.8
109.02782	1.7
121.02841	5.1
131.04782	0.8
133.02834	1.4
145.02872	1.3
146.03648	1.1
147.04390	1.1
159.04414	1.9
160.05211	1.6
162.03107	1.1
174.03143	1.9
175.03949	3.7
175.07481	1.0
181.06546	1.1
183.04503	0.9
193.06519	1.2
195.04413	0.8
197.06010	1.6
208.05217	0.8
209.06039	4.0
211.03972	1.7
211.07562	2.9
212.04617	1.0
213.05557	0.9
221.06021	2.8
222.06885	0.9
223.07582	2.3
224.04703	1.9
225.05495	5.5
227.03519	0.7
236.04700	1.1
237.05545	5.6
238.06331	1.1
239.03392	1.2
239.07111	10.7
240.07826	3.4
241.05045	0.8
249.05458	1.4
250.06259	2.0
251.07051	3.1
252.04218	2.1
252.07774	1.3
253.05008	18.5
254.05479	2.0
265.04987	7.1
266.05823	2.9
267.06610	31.6
267.09555	1.0
268.07260	8.8
269.08154	2.7
279.06516	3.7
280.07309	5.0
281.04633	14.4
281.07993	2.7
282.04922	1.9
283.09698	2.8
295.06100	16.4
296.06882	65.7
297.07584	18.5
311.09219	100.0
312.09784	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	309.2434
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44968	1.7
57.03323	1.9
58.23684	1.9
59.01249	9.3
63.16220	1.9
71.32604	1.7
71.51032	3.0
79.28600	1.9
79.95602	4.1
83.04919	2.7
96.95890	24.2
97.06429	2.7
113.09572	4.4
126.27243	1.7
151.07532	6.4
152.08284	7.1
179.14322	19.0
193.53520	1.7
209.15384	11.2
233.22372	2.2
237.05202	2.0
258.22531	1.9
265.18262	2.1
265.25412	3.1
277.21704	79.2
278.22073	4.7
291.19418	3.7
301.60580	2.0
305.15402	2.1
309.17487	40.0
309.20789	9.5
309.24295	100.0
310.17328	3.1
310.21219	1.9
310.24686	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	309.2434
Annotation	2-(5-Methoxy-5-methyltetrahydro-2-furanyl)-6,10-dimethyl-5,9-undecadien-2-ol
Peak:m/z	Relative Intensity
59.01239	7.7
69.78640	9.5
71.01225	3.4
76.88804	1.6
77.67213	1.9
96.95901	17.7
98.19900	3.5
111.83841	2.0
125.09609	2.3
136.47200	1.9
151.07524	6.7
152.08299	6.2
167.36966	1.6
209.15367	8.2
236.55713	2.0
265.17880	1.8
265.25287	9.5
277.21729	100.0
278.22000	7.0
290.63477	2.0
291.19592	4.5
309.17429	33.4
309.20825	7.0
309.24301	78.6
310.17548	2.1
310.24643	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.207
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	2.2
59.01237	4.3
59.43226	1.1
71.01232	1.7
71.38539	1.1
80.02547	1.1
81.00958	1.1
84.02052	1.1
95.06081	1.0
97.02780	1.1
97.06453	3.0
101.02271	1.1
109.06440	1.4
111.08031	4.6
113.09611	2.6
115.07541	1.5
123.08018	3.0
125.09621	3.6
127.07594	1.6
127.11138	2.6
136.43332	1.0
137.09622	2.3
139.11143	2.6
141.09143	1.6
149.09528	1.3
151.07530	1.7
151.11139	3.3
152.08299	1.6
153.12703	1.3
155.10683	9.3
163.11076	1.4
165.12741	6.3
167.10667	3.2
167.14261	1.7
169.12209	1.8
171.10161	12.1
179.10625	1.5
179.14354	2.6
181.12245	3.5
183.13756	1.7
185.10262	1.2
185.11766	13.1
186.11951	1.8
193.12154	1.2
193.15848	2.0
197.11739	8.9
209.11722	4.1
209.15384	3.4
211.13394	6.8
240.13554	1.7
242.52051	1.2
247.20682	7.6
249.84067	1.1
263.19995	2.1
265.18091	1.2
265.21704	3.3
273.18594	5.7
281.21237	2.8
291.19650	59.4
292.20114	6.1
309.14972	3.2
309.17679	3.4
309.20663	100.0
310.20908	10.6
323.39865	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60614	2.3
59.01258	2.6
67.01742	2.4
71.51924	3.6
80.02548	13.7
80.90241	1.9
81.03337	5.9
83.04896	35.0
84.02042	14.7
93.06490	1.9
97.06477	5.2
99.08047	10.2
102.60384	1.9
109.06431	3.8
112.18861	2.2
113.09618	3.1
115.07522	3.6
123.04401	3.7
125.09566	6.0
127.11166	7.3
137.09621	52.4
139.11226	10.9
139.95769	2.1
142.73369	2.1
151.07605	3.2
151.11118	4.8
153.09109	9.5
153.12752	3.7
155.10681	64.8
156.11009	3.5
165.12764	3.4
167.10677	4.4
171.10172	53.8
172.10457	2.5
193.12260	27.8
195.13782	2.3
209.11768	8.5
211.13307	7.1
242.64149	2.1
247.20720	8.1
263.20166	9.4
264.95999	2.7
265.21738	8.6
273.18521	2.6
291.19653	100.0
292.20004	6.8
309.20697	95.2
310.21024	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	309.207
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34048	2.1
57.03341	2.6
58.01210	2.7
59.01251	2.9
60.50498	2.8
69.03312	5.4
70.26180	2.6
70.46624	2.2
70.62512	2.4
70.62847	7.4
72.03816	2.7
102.80257	2.5
111.08025	21.1
119.08518	12.3
125.09596	7.7
127.07581	2.7
137.09613	31.3
155.10745	4.1
171.10170	100.0
172.10468	7.8
183.10156	6.5
185.11772	28.1
197.11772	45.0
198.12013	2.8
201.11221	10.3
209.15294	2.5
211.13376	21.8
211.74693	2.7
213.11211	11.5
247.20518	6.8
263.20273	5.8
273.18591	7.4
291.19659	86.9
292.19904	10.7
309.17432	5.6
309.20657	85.8
310.21045	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	309.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
53.40675	1.3
54.81620	1.4
57.03326	3.4
59.01230	6.0
67.01752	2.0
67.11526	1.4
69.03305	3.9
69.98067	1.3
71.01232	2.4
71.04911	3.1
73.02818	1.7
80.02549	17.5
81.03344	6.9
83.04893	44.7
84.02049	16.8
93.03337	1.6
95.04900	1.7
97.02809	1.6
97.06463	8.3
99.00705	1.4
99.08028	10.3
101.02326	1.9
109.06478	2.4
110.03609	1.7
111.08043	3.1
112.26557	1.2
113.09579	3.8
115.07544	7.1
119.08529	2.7
123.04372	2.0
123.08057	2.5
125.09588	9.5
127.11154	6.0
135.07996	1.7
137.09621	81.4
138.09901	3.2
139.11186	18.1
151.03926	3.1
151.07552	5.6
151.11148	3.8
152.08313	4.0
153.09102	11.8
153.12749	2.8
154.09930	2.1
155.10683	77.2
156.10991	3.4
164.64214	1.8
165.09013	1.7
165.12756	2.1
167.10657	4.7
167.14345	1.9
169.12326	2.4
171.10181	89.8
172.10506	3.7
175.11125	2.6
193.12262	37.3
195.13751	3.0
201.33376	1.5
209.11748	3.9
209.15359	5.3
211.13295	9.2
247.20572	5.9
254.82037	1.4
263.20160	10.0
265.18088	1.8
265.21655	7.3
281.21317	2.0
291.19653	96.5
292.19904	10.0
309.17065	8.3
309.20660	100.0
310.17920	1.9
310.21155	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	309.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	10.3
61.98701	1.9
69.03339	4.3
71.01257	3.1
71.04903	2.3
71.32276	4.5
73.02785	2.6
75.58664	1.9
85.02809	2.8
89.02308	2.2
99.08021	4.2
101.02312	3.1
107.08530	2.7
119.08552	15.6
121.10181	2.3
125.09623	10.7
126.23721	2.2
126.44196	2.6
127.11163	3.6
135.07985	3.4
137.09625	32.2
151.11134	2.3
153.09109	2.1
155.10660	3.8
167.10658	7.1
168.90410	2.2
171.10181	100.0
172.10463	4.2
183.10167	7.5
185.11737	30.2
195.13824	4.7
198.22485	2.1
201.11244	9.6
209.11800	5.2
213.11180	9.0
229.19612	3.0
273.18616	11.2
278.32013	2.4
291.19669	46.9
292.19968	5.8
309.17361	2.4
309.20663	48.4
310.21057	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	309.207
Annotation	Unknow
Peak:m/z	Relative Intensity
55.36087	1.8
57.03307	9.3
59.01235	7.9
69.03300	2.4
70.83229	2.2
70.83565	4.1
71.01240	8.3
80.02530	2.5
92.83723	1.9
95.04907	2.1
97.06441	4.8
111.08035	8.0
112.85668	1.9
113.09573	6.5
123.08061	3.9
125.09621	3.9
127.11126	2.3
128.88832	2.2
137.09608	2.6
139.11218	2.1
151.03902	3.0
151.11172	20.4
155.10703	11.0
163.11171	3.5
165.12764	16.5
167.10692	3.6
171.10155	17.0
179.10619	5.9
181.12273	21.7
185.11781	15.6
191.10643	7.8
197.11737	8.4
199.13226	2.6
209.11761	39.5
209.15146	4.5
211.13367	9.8
211.76520	2.2
247.20604	7.8
263.20193	3.6
265.21744	3.1
273.18497	4.6
281.21133	7.8
291.19638	57.1
292.20096	3.8
309.17038	8.9
309.20645	100.0
309.24268	5.2
310.21002	8.4
314.38309	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	309.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40472	1.9
57.03305	4.3
59.01239	5.1
59.74259	1.7
70.52345	3.8
80.02554	2.1
81.03333	3.3
83.01262	10.1
83.04876	4.5
91.24652	1.4
95.04893	2.3
97.06433	3.6
97.75459	1.7
97.92399	1.5
98.03619	1.6
98.20513	1.7
109.59774	1.6
123.04360	2.7
123.08052	3.1
125.05966	2.2
125.09622	11.1
130.32474	1.7
130.63744	1.5
135.54337	1.6
139.11179	12.1
141.09090	1.6
163.11174	9.5
165.12709	14.9
167.10643	6.3
181.12234	4.4
191.10703	3.7
193.12129	2.0
193.15872	6.5
209.11766	52.7
210.12079	3.7
211.13159	1.9
247.20581	12.3
248.20917	1.9
265.21680	4.4
273.18576	5.2
281.21310	2.6
291.19653	100.0
292.19885	11.5
309.20667	42.1
309.24231	1.8
310.21051	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03311	1.5
59.01239	1.5
64.88878	0.6
69.79789	0.7
69.82164	2.0
69.82556	1.6
97.06441	1.9
113.09577	3.0
115.07520	2.2
125.05935	1.0
126.06753	1.0
127.07556	0.7
139.11169	1.0
141.09100	2.1
149.09631	1.0
165.12729	4.5
167.10765	1.0
167.14278	2.1
181.12262	4.3
183.01616	0.7
183.13843	1.2
193.12274	2.2
193.15829	0.9
195.13805	2.3
211.13281	4.1
213.14835	1.0
221.15358	2.3
239.12817	1.0
240.13689	2.5
247.20642	4.2
273.18622	2.7
281.21179	2.1
291.19659	46.3
292.19925	3.8
297.28384	0.8
309.20697	100.0
310.21008	7.5
333.48666	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
54.74292	0.6
57.03318	0.9
59.01239	2.7
66.92821	0.6
67.94459	0.6
71.01239	0.9
71.49811	0.9
87.44636	0.5
97.06487	0.7
103.95518	0.6
106.51902	0.6
109.06451	0.6
111.08037	3.5
125.09605	1.7
127.11170	2.2
147.91283	0.6
151.03870	1.3
151.07529	1.7
151.11159	1.0
152.08318	1.6
153.09125	1.1
153.12755	5.9
155.10663	2.4
165.12668	0.9
167.10667	1.8
169.12216	1.5
179.10762	1.3
179.14322	2.3
179.45255	0.6
181.12289	4.1
183.13765	0.6
193.15834	1.0
197.11758	3.6
199.13298	1.7
207.13846	2.6
209.15390	3.4
215.12804	1.6
217.15842	0.8
226.12012	1.0
227.12775	1.2
228.13516	1.6
245.19131	0.8
247.20686	6.2
265.18094	0.9
265.21707	1.4
273.18542	3.0
281.21262	1.9
291.19666	40.8
292.19986	4.6
309.17264	5.9
309.20676	100.0
310.21033	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	309.207
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58249	1.6
53.36692	1.8
59.01239	3.2
71.21378	2.1
71.21692	2.0
94.05687	1.7
106.93813	1.6
111.08038	34.6
112.08322	1.7
147.46339	1.7
151.07379	2.2
151.11197	2.2
153.12782	2.7
169.12242	6.2
181.12349	2.5
183.13838	3.2
197.11766	100.0
198.12097	3.6
199.13261	4.1
209.15367	5.2
211.13295	9.4
247.20625	3.3
263.20142	4.2
273.18365	2.0
291.19675	31.5
292.20026	3.1
309.17068	4.2
309.20645	58.0
310.21024	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.207
Annotation	trans-EKODE-(E)-Ib
Peak:m/z	Relative Intensity
57.03323	2.2
57.35623	0.4
59.01226	1.1
59.14123	0.3
65.72801	0.4
67.01752	0.6
69.03315	0.7
71.04887	8.8
71.07948	1.0
72.05199	0.5
80.02528	0.4
83.04891	1.1
85.14036	0.4
87.04420	0.4
97.06446	1.1
98.20606	0.4
109.06483	0.5
111.08039	1.6
121.10094	0.6
123.08028	0.4
125.09607	0.9
137.09592	1.5
143.00220	0.4
165.12764	1.4
167.10637	0.9
171.10168	3.4
181.12209	0.5
183.13731	1.8
185.11812	0.5
197.11748	1.8
204.39349	0.4
207.17542	0.6
209.11598	0.4
211.13280	1.4
221.15414	0.7
225.14899	5.7
226.15265	0.6
233.15410	0.6
237.14911	4.2
239.16389	0.8
247.20631	1.1
251.16504	7.3
265.18155	0.5
273.18610	0.8
289.18109	0.7
291.19659	12.0
292.19824	1.1
294.12695	0.5
297.81265	0.4
309.20685	100.0
310.21033	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	309.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01237	2.4
69.03362	1.4
71.01243	2.3
71.32272	3.0
74.73754	1.3
95.01257	4.2
97.02822	3.2
99.00748	9.9
113.40704	1.4
119.08552	1.8
125.09568	4.4
137.05923	2.0
137.09633	3.9
142.38315	1.2
151.03908	25.0
151.07552	41.3
152.08327	40.8
153.08656	2.1
155.00945	1.4
163.11186	6.4
165.12746	7.1
171.10187	12.1
175.07628	2.3
179.14371	4.0
180.07742	2.0
181.12291	3.5
184.07359	6.9
185.11772	2.6
190.09912	3.7
193.08650	4.2
193.15924	3.0
197.11732	2.4
208.10959	4.3
209.12065	2.4
209.15413	63.8
210.15762	5.9
223.13257	3.2
229.19481	1.9
247.16963	4.6
247.20671	8.3
252.09988	12.7
253.10396	1.6
265.18073	15.2
273.18451	4.7
291.16428	3.9
291.19647	97.5
292.20142	7.9
309.17047	100.0
309.20700	76.4
310.17361	9.1
310.21017	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.207
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00304	1.8
56.35732	1.7
57.03316	22.1
58.68723	1.8
59.01244	14.3
64.40340	2.2
69.03309	3.5
69.50590	15.2
71.01263	16.3
79.97460	1.9
80.02538	3.8
83.04906	8.3
95.04909	3.1
95.18532	2.4
97.06470	5.8
109.06483	2.3
111.08031	9.0
113.09613	14.5
123.07991	2.5
125.09553	4.3
127.11244	2.5
137.09592	3.8
151.03955	3.4
151.07510	7.2
151.11183	42.7
152.08313	4.8
153.09177	2.6
153.12798	4.4
155.10693	4.1
163.11244	3.8
165.12746	39.9
167.10648	4.5
171.10178	8.8
179.10712	14.4
179.14267	3.9
181.12259	45.6
184.07210	2.8
185.11736	8.3
191.10699	22.7
209.11757	100.0
209.15417	8.9
210.12187	4.8
211.13249	11.2
247.20636	10.7
263.20029	3.3
265.21674	8.7
281.21130	7.5
291.19724	27.8
309.14905	6.4
309.17090	13.7
309.20380	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	309.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
53.91441	1.5
58.00462	2.3
59.01240	4.2
68.52428	1.2
68.85264	1.4
69.03310	1.8
70.26705	4.2
73.02818	2.3
73.62752	1.2
79.34861	1.5
97.67222	1.4
109.06457	1.2
111.08041	34.2
112.97781	1.4
124.56460	1.5
127.07490	2.6
131.52243	1.4
151.07458	2.0
151.11136	2.2
152.08293	1.7
153.08986	2.2
169.12218	5.6
170.48056	1.6
171.10158	5.5
181.12213	3.6
183.13818	2.3
197.11765	100.0
198.12106	6.4
199.13310	4.0
209.15395	5.0
211.13335	13.0
227.12781	4.1
247.20686	1.8
254.05472	1.5
263.20142	6.7
265.18103	3.6
273.18433	2.8
291.19662	27.8
292.19876	2.7
309.11084	1.5
309.17139	6.5
309.20651	50.6
309.24286	2.5
310.17947	1.5
310.21072	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	309.207
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25225	0.8
57.03295	0.9
59.01234	1.4
62.26984	0.8
69.21323	7.2
72.84384	0.9
92.51412	0.6
93.12064	0.7
95.04873	0.8
97.06458	2.3
98.19721	1.3
103.36503	0.7
111.08025	1.5
113.09576	1.4
124.74207	0.8
141.09084	1.5
141.44601	0.9
151.11201	0.9
165.12756	2.0
167.14322	2.4
178.69638	0.8
181.12251	2.8
183.13878	2.1
193.12209	1.0
195.13847	3.4
197.11794	1.3
209.15439	1.2
211.13359	5.1
213.14909	1.1
221.15395	1.7
225.02522	5.7
229.14417	1.5
240.13560	1.1
241.14282	1.4
247.20665	3.6
273.18570	2.4
281.21298	2.4
291.19644	46.5
292.19888	3.9
293.08820	12.8
309.20676	100.0
310.21072	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	309.207
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73955	1.3
53.48463	1.5
57.03320	3.0
59.01250	10.8
61.98698	2.7
67.01748	2.0
70.66696	4.2
71.01247	3.1
71.04874	2.1
73.02793	1.6
85.02797	1.4
93.06974	1.8
97.02809	3.1
101.02316	2.6
111.08013	2.5
113.02338	2.4
121.10095	7.6
123.08028	1.4
125.09618	8.9
137.09621	5.5
154.93393	1.2
161.04486	1.9
171.10204	10.7
185.11729	10.6
195.13852	4.6
197.11745	5.7
209.15442	1.9
211.13327	59.2
212.13724	2.6
247.20575	3.0
251.16536	5.9
273.18820	2.1
291.19644	100.0
292.20023	10.4
294.12512	2.6
309.11914	1.6
309.17499	1.4
309.20663	38.2
309.24292	2.3
310.20990	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	309.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03339	1.7
59.01242	4.2
69.08189	1.3
71.01247	1.6
71.50707	1.4
73.02814	1.6
80.17796	1.1
85.02822	1.2
87.83131	1.1
99.00761	12.6
111.07981	1.4
113.09611	1.8
115.07501	2.4
119.08596	1.6
125.05982	2.0
137.09634	4.0
139.11197	1.5
141.09076	2.1
151.03896	4.7
151.07559	10.6
152.08337	9.7
152.61095	1.1
165.12743	4.2
167.10670	1.5
167.14374	1.7
171.10188	10.5
181.12262	3.5
184.07289	1.7
185.11787	3.1
190.09863	1.7
193.08687	1.2
193.12248	1.3
195.13885	2.3
195.35031	1.0
195.44682	1.0
208.10793	1.5
209.12140	1.3
209.15437	22.8
210.15669	2.1
211.13321	4.5
221.15474	1.8
240.13605	2.3
247.20618	5.4
252.10025	2.0
265.18073	2.0
273.18552	4.4
281.21158	1.9
291.16379	2.8
291.19647	52.5
292.19986	3.6
309.17056	27.4
309.20709	100.0
310.17331	3.1
310.21039	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	309.1342
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01008	0.9
57.03308	2.2
59.01249	16.2
66.88506	1.2
68.07157	1.0
71.01242	3.1
71.49918	1.9
71.50305	1.2
78.59032	1.1
83.01283	1.0
83.04873	2.2
95.04910	1.0
96.95901	6.5
97.06453	2.2
101.02288	3.4
107.04865	1.3
119.04870	1.3
125.09654	1.0
161.04449	1.4
162.01505	1.0
163.03819	1.3
165.12764	1.7
171.10210	1.1
177.16371	1.6
181.12244	2.0
185.11655	1.2
193.15765	1.2
203.14336	1.6
209.15353	1.2
211.13280	1.2
219.13776	1.7
221.15413	100.0
222.15776	8.1
229.86169	1.1
247.13350	1.0
247.20645	4.8
265.07956	1.4
265.14462	6.1
291.19669	36.1
292.19992	2.9
294.12561	1.6
309.10596	2.0
309.13403	29.1
309.16788	3.0
309.20636	36.6
310.13739	1.8
310.20929	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	309.0746
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	25.9
61.98704	2.1
70.84030	4.9
71.01251	20.0
72.99185	2.4
73.02827	4.8
83.01274	2.9
85.02821	7.8
87.00744	17.1
98.19945	2.3
99.00771	2.9
101.02283	4.9
107.82456	1.9
109.02657	1.8
113.02312	3.4
115.00253	52.1
117.01800	7.3
117.03317	2.5
151.07576	7.6
161.02339	4.0
163.00293	7.9
165.09135	10.4
173.08102	3.1
175.02408	100.0
176.02744	3.7
211.09648	5.0
213.07655	6.6
237.05496	2.4
273.09808	7.6
281.04492	19.5
282.05103	5.5
309.04175	30.7
309.07568	4.4
309.13559	6.9
310.04529	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	309.1018
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85658	0.7
50.87960	0.8
51.21605	0.7
59.01247	24.6
61.98692	1.4
62.82886	0.8
70.47913	2.0
71.01250	2.3
73.02815	1.5
75.00745	5.8
83.04898	2.0
90.96976	0.9
97.02820	0.9
101.02326	1.6
111.07986	0.8
119.08569	1.2
136.31227	1.0
140.98563	0.9
147.06468	0.9
163.00638	1.3
171.10141	2.3
173.01169	0.9
174.99106	1.2
177.02209	1.0
182.99727	1.3
197.11729	1.5
199.02757	1.9
211.02921	1.3
211.13322	1.2
223.02742	0.9
233.11526	5.4
237.04378	2.0
245.04883	2.4
251.16393	1.7
263.06030	6.4
265.07565	21.9
266.07971	1.0
267.06454	0.7
267.09100	16.9
268.09485	1.0
279.05365	1.4
281.10522	1.1
291.19656	8.6
294.12598	1.0
307.04865	0.9
309.10168	100.0
309.20520	9.1
310.10434	7.1
311.07971	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	309.0616
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03310	5.4
59.01246	14.1
71.01227	3.3
71.07458	3.7
71.07813	2.8
76.63045	1.6
85.02821	18.4
93.96402	1.6
95.95095	2.6
96.95860	1.8
101.02316	11.6
103.03901	11.5
115.00252	2.2
121.02869	2.1
129.00887	3.2
129.01822	65.0
133.02814	2.5
135.04388	3.5
147.02888	100.0
148.03223	2.7
161.02328	3.9
163.03857	1.5
175.02370	2.6
179.03358	2.8
230.25443	2.0
309.03989	7.6
309.14407	4.7
309.20645	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	309.0616
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	10.3
59.01246	37.1
73.02816	6.3
83.01257	25.8
85.02812	9.7
87.00745	10.6
101.02319	100.0
105.01801	15.4
106.41021	3.7
111.00782	6.6
111.81293	3.5
119.04894	38.5
121.02841	16.0
133.02832	13.3
135.04401	17.2
145.01300	25.2
147.02881	27.1
158.65727	3.3
161.02324	53.0
163.02371	45.6
163.03905	36.9
179.03452	11.4
184.26366	3.4
199.00249	3.6
206.94299	4.1
248.00397	3.6
248.14218	3.4
291.19464	8.9
309.15479	6.1
309.20682	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	307.2278
Annotation	Palmityl Trifluoromethyl Ketone
Peak:m/z	Relative Intensity
59.01225	0.7
71.01232	0.4
71.50800	0.4
82.90771	0.2
89.02305	0.2
92.21185	0.2
96.95891	1.3
109.90407	0.3
113.09507	0.2
146.04906	0.2
183.48218	0.3
210.45538	0.2
213.14934	0.4
234.98413	0.3
263.32571	0.3
307.22754	100.0
308.23099	9.3
308.26624	0.5
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
50.07030	2.7
52.59689	2.8
57.03316	6.1
59.01245	7.6
59.44004	2.6
60.69537	2.7
64.38026	2.9
70.99354	3.5
70.99670	2.8
71.01254	6.6
78.66689	3.2
80.02542	4.8
80.76743	2.4
81.03291	3.4
83.04903	4.1
83.06551	2.8
87.73005	2.5
95.04887	5.4
97.06453	14.1
101.00443	3.1
103.64042	2.5
110.80927	2.6
111.08031	7.3
121.06464	3.0
125.09606	3.7
141.09090	5.0
147.62482	2.5
149.09615	5.8
151.11205	16.2
153.09163	5.7
155.10677	9.9
163.11215	7.0
165.12785	15.9
167.10669	7.0
169.12184	2.9
169.78612	2.8
179.10683	6.0
179.36189	2.9
181.12285	19.1
191.10741	6.9
191.14323	10.9
203.92650	2.8
209.11743	29.8
211.13373	6.3
222.38499	2.5
224.10524	4.3
235.20894	3.3
238.11876	2.9
245.19061	37.7
246.19402	4.0
261.18658	3.3
263.20172	10.2
271.16992	3.6
279.19705	4.2
289.18079	53.9
290.18222	4.1
307.13873	4.0
307.19180	100.0
308.19617	12.0
312.57034	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	307.1913
Annotation	Soraphen O
Peak:m/z	Relative Intensity
57.03304	2.9
59.01245	2.6
70.03001	4.6
81.03331	3.3
83.19253	1.0
97.02824	3.0
97.06442	2.0
98.03638	1.2
109.06458	2.7
110.03589	1.6
121.06451	1.5
123.04415	5.7
125.09602	7.4
135.08029	1.6
135.56799	1.1
136.05202	1.5
137.05914	1.4
137.09587	4.6
141.12730	1.8
149.05977	2.3
163.11249	7.4
164.08199	1.5
164.95122	1.1
165.09113	1.3
165.12776	1.3
181.12234	1.2
185.11734	13.5
191.14325	13.2
192.67039	1.1
195.13715	1.2
207.10176	8.0
217.15974	1.8
225.11272	8.4
226.11859	1.2
245.19057	28.1
246.19359	2.1
271.17014	3.3
289.18088	100.0
290.18399	7.9
307.19135	43.2
308.19424	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	307.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03324	14.1
59.01243	22.1
69.03318	4.5
70.74187	2.6
71.01261	20.4
71.51611	3.0
72.99138	4.5
73.02799	2.9
80.02544	5.4
81.03309	2.9
83.01247	2.8
83.04888	6.1
85.02802	6.3
89.02351	3.4
95.04934	3.5
97.06464	19.2
103.03892	4.0
107.08531	3.3
109.06499	5.7
111.07338	3.5
111.08009	14.2
121.06530	16.2
125.09610	18.7
127.11156	5.8
135.08047	7.9
135.40459	3.4
137.09618	6.5
139.63660	3.0
140.14938	2.7
149.09592	5.6
151.11206	24.1
153.09091	13.0
153.12714	6.2
155.10645	12.4
161.04485	4.8
163.11203	6.8
165.12776	30.3
166.12976	2.9
167.10699	6.8
169.12257	3.7
171.10158	38.8
177.12718	3.2
179.10663	8.8
181.12256	31.4
185.11743	47.9
191.10713	13.5
191.14334	7.4
197.11781	2.9
205.12216	2.9
209.11758	57.5
211.13326	9.9
212.10490	5.3
224.10683	3.6
245.19057	38.9
251.70967	3.1
261.18542	5.0
263.20178	13.1
271.16986	3.2
279.19592	11.7
289.18076	48.0
290.18500	4.7
307.10300	5.2
307.19141	100.0
308.19589	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1912
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06643	3.5
52.55758	3.1
57.03311	4.3
59.01249	7.6
71.08577	3.9
71.08913	7.1
79.18322	4.0
81.03337	6.8
83.01244	10.1
83.04873	5.3
95.04890	5.8
97.02827	6.1
97.06454	6.8
104.66307	3.8
122.90102	3.6
123.04405	10.5
123.08013	5.4
125.09591	18.3
129.40248	3.5
137.09612	14.2
154.23933	3.4
161.41002	3.3
163.07588	4.2
163.11153	17.5
165.12775	3.4
179.10786	4.1
185.11746	26.5
188.99855	3.5
191.10794	5.6
191.14339	23.8
206.61536	4.1
207.10143	13.4
209.11780	38.7
225.11203	8.1
245.19073	42.7
247.78299	3.3
289.18069	100.0
290.18512	7.2
307.19141	48.9
316.46609	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	307.1914
Annotation	Soraphen O
Peak:m/z	Relative Intensity
52.60135	1.7
57.03312	2.5
59.01241	4.1
71.19638	3.6
81.03318	1.8
83.04907	2.9
94.16898	1.6
95.04884	3.1
96.38496	1.5
96.97883	1.6
97.06511	2.0
99.34526	1.4
121.96315	1.5
123.08125	2.4
125.09595	3.1
127.07530	10.7
149.05995	1.8
149.09648	3.4
151.11182	4.6
153.09113	2.4
155.10646	6.2
163.11261	2.7
167.10674	2.7
177.12706	3.5
179.10754	2.4
191.14313	4.6
205.12271	2.7
209.11674	1.7
219.26041	1.6
220.79855	1.6
223.06628	2.1
223.13327	1.9
241.14926	1.6
245.19072	26.2
263.20087	8.0
271.17053	3.6
279.19418	2.1
289.18091	60.4
290.18521	4.5
307.19135	100.0
308.19409	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	307.1913
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39251	1.0
53.19973	1.0
57.03312	3.0
59.01251	6.5
70.18923	4.9
71.01244	1.9
74.38720	1.0
78.34071	1.1
83.04909	1.9
95.04877	1.5
95.76263	1.2
97.06472	2.4
107.08530	1.5
109.06474	2.5
111.08034	2.0
123.04409	1.5
125.09592	2.6
137.02403	1.7
137.06047	2.0
137.09607	2.8
149.09618	3.0
151.11208	3.8
153.09169	1.7
153.12729	1.4
155.10666	8.2
161.09514	1.7
163.11197	2.3
167.10661	2.7
169.12192	2.2
177.12712	2.1
179.10675	1.1
181.12244	1.6
183.13843	1.2
185.11703	2.7
191.14313	8.0
205.12253	2.5
209.11734	1.7
224.10487	2.3
226.12141	1.6
226.83138	1.2
235.20636	1.9
239.09171	2.8
245.19066	29.5
246.19470	2.4
251.20262	1.7
252.98618	1.3
263.20090	7.5
271.16989	3.4
279.19553	2.9
289.18088	45.9
290.18362	4.2
307.19116	100.0
308.19452	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	307.1913
Annotation	Unknow
Peak:m/z	Relative Intensity
54.22847	1.9
56.43926	2.0
57.03325	4.8
59.01241	7.9
65.03822	15.3
69.03292	2.7
70.78855	4.5
71.04887	13.7
72.63499	2.2
83.04885	15.1
85.06452	3.5
89.86922	2.0
91.32327	2.0
93.03323	17.9
95.04916	3.2
97.06454	23.6
97.56578	1.9
106.04169	2.3
109.06461	4.9
111.04309	2.8
111.08056	3.2
113.01614	2.1
117.06974	19.3
119.04935	6.1
119.08546	34.5
120.05674	2.4
121.06480	21.6
122.21217	2.2
123.08050	3.9
125.09606	24.9
133.06516	5.6
135.07002	4.7
135.08049	89.8
136.08360	2.5
137.09589	6.0
138.06764	9.0
143.10760	2.1
153.12842	2.0
163.11128	2.6
165.54897	1.9
169.12372	2.3
171.10178	69.2
185.11758	13.9
187.14967	3.5
205.15968	3.0
209.11794	13.2
211.13271	13.0
221.15207	2.4
231.13771	2.9
233.15387	14.3
235.13367	15.0
245.19116	5.8
249.14964	19.4
250.15369	2.5
252.13725	3.1
261.18524	2.7
271.17068	3.6
279.19641	8.9
289.18085	100.0
290.18472	9.6
307.19147	44.9
308.19351	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	307.1551
Annotation	(5R)-5-Hydroxylasiodiplodin
Peak:m/z	Relative Intensity
51.33377	0.3
57.03304	0.4
59.01247	4.6
68.99651	0.6
70.52535	1.0
71.01259	2.5
83.04883	0.4
85.02815	1.5
89.02294	0.4
95.04926	0.3
96.95895	0.5
97.88669	0.3
99.00751	0.8
101.02307	0.8
103.03928	0.7
108.02062	0.7
109.06471	0.4
113.02299	0.3
118.92718	0.3
121.02843	1.0
121.06474	0.4
122.03632	6.8
123.00788	0.4
123.08043	0.4
129.37621	0.3
135.04411	2.7
136.01567	1.1
136.05196	14.3
136.59964	0.3
137.05473	0.6
138.03123	0.7
148.05121	0.4
149.05937	2.3
150.03131	3.6
161.04497	0.9
161.05905	0.4
164.04564	0.4
171.10194	0.5
177.05568	0.4
191.14308	0.5
205.12308	1.1
217.12241	0.4
217.15878	0.5
219.13899	0.9
233.15428	5.7
235.13353	0.8
235.17006	3.7
241.13252	0.4
243.13806	0.6
245.11803	3.1
245.15370	0.5
251.16606	0.5
261.14932	79.7
262.15308	7.4
263.12958	1.3
263.16544	0.5
271.13474	1.8
279.12967	0.4
279.16040	2.4
287.12939	0.6
289.14447	20.5
290.14853	1.8
307.15491	100.0
308.12393	0.7
308.15842	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	307.1397
Annotation	NSC-224070
Peak:m/z	Relative Intensity
50.41708	1.3
52.30552	1.5
55.01754	1.4
57.03313	3.4
58.00458	3.9
59.01250	70.0
59.62892	1.3
69.03322	3.1
70.71861	1.8
70.72203	3.7
71.01255	43.9
72.99178	4.8
73.02817	7.6
81.03330	1.7
83.01248	4.1
85.02821	31.7
87.00742	2.7
89.02318	28.9
95.01271	2.0
96.29253	1.4
97.02811	4.3
99.00734	2.9
99.08028	24.2
99.62687	1.2
101.02312	26.4
103.03873	3.7
113.02340	12.0
119.03407	12.4
120.03655	1.4
125.02332	6.1
127.07541	5.6
129.01826	2.7
129.09100	2.1
135.04379	1.8
141.09117	2.2
143.03374	1.6
145.08604	77.6
146.08925	2.8
147.04399	2.1
161.04457	1.9
164.07072	5.7
191.01825	3.4
201.42320	1.4
247.08199	1.6
247.69746	1.4
307.10779	3.7
307.13962	100.0
308.14331	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	307.1398
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36567	1.3
55.01760	3.1
57.03306	4.5
58.00468	2.9
59.01250	99.1
60.01597	1.7
67.01719	1.2
67.43944	1.1
69.58647	8.1
71.01250	32.9
72.99163	4.1
73.02805	2.7
83.01258	11.5
85.02826	17.8
87.00755	3.4
89.02319	22.0
95.01242	3.0
99.00768	5.6
99.08034	32.3
101.02316	19.1
111.00773	10.9
113.02348	8.4
114.01643	1.1
119.03370	8.5
127.00259	5.2
127.07536	5.5
129.01840	1.4
129.09106	2.3
130.06508	1.8
131.06895	1.4
137.00620	1.1
139.00253	3.1
141.09114	3.3
145.08606	80.0
146.06015	5.3
146.08936	1.8
161.04442	2.7
187.09637	2.7
191.01813	1.5
307.08691	5.9
307.13956	100.0
308.14288	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	307.1223
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02212	0.4
54.01864	0.4
59.01245	1.3
59.96576	0.4
60.97372	0.4
63.59919	0.4
64.53632	0.3
71.01244	0.5
71.07648	1.0
72.75466	0.4
74.98944	5.7
75.96085	0.4
82.91407	0.3
84.72115	0.4
91.02081	2.7
93.00021	2.9
99.64525	0.4
149.00836	3.0
159.08383	7.0
161.06355	1.8
192.97968	0.4
206.99606	1.1
209.01208	3.5
217.07184	0.9
223.02782	47.9
224.02800	3.6
237.35741	0.4
241.03835	1.2
289.07501	1.8
291.09088	100.0
292.09204	10.2
292.79855	0.4
307.12308	2.8
307.19269	0.5
309.10074	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	307.1222
Annotation	Unknow
Peak:m/z	Relative Intensity
53.90959	0.4
59.01247	3.5
60.97350	0.5
69.17889	0.8
69.18295	3.4
71.01245	1.6
74.98935	5.5
85.02821	0.9
89.54855	0.4
91.02088	3.4
92.15459	0.5
93.00014	3.7
93.50524	0.5
95.77126	0.4
97.06444	1.1
98.19859	1.0
101.02298	0.8
124.87813	0.4
149.00829	3.1
159.08386	8.0
161.04420	1.0
161.06290	1.9
163.11171	0.5
185.11694	0.8
192.97983	0.7
206.99594	1.3
209.01248	2.0
209.11809	0.8
213.93726	0.5
217.07162	0.9
223.02774	52.0
224.02798	4.0
233.76964	0.5
241.03793	1.3
245.19101	1.7
289.07590	2.0
289.18170	4.1
290.18439	0.5
291.09079	100.0
292.09167	10.6
307.12085	2.2
307.19199	6.0
307.22702	0.8
308.19464	0.5
309.10321	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1035
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64886	0.4
51.71014	0.4
55.01756	5.5
57.03321	25.2
59.01246	12.6
64.54988	0.5
67.01756	1.7
68.32298	0.4
68.99676	0.5
70.31094	0.5
71.01254	8.8
71.06818	1.0
72.99169	2.1
73.02815	4.1
75.00739	2.0
83.01257	13.5
84.02029	2.9
85.02821	100.0
86.03163	1.8
88.01571	0.5
89.02318	1.0
99.00737	1.7
101.02312	7.2
101.05959	26.7
102.06290	0.6
111.00763	31.7
112.01100	0.7
129.01826	48.0
130.02190	1.2
141.09154	0.6
143.03340	0.5
154.06763	0.5
161.04463	2.4
169.08578	1.3
187.02402	2.2
205.03465	18.4
206.03780	0.6
245.10336	0.6
289.09448	0.7
307.10352	3.7
307.14008	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	307.1035
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	2.4
57.03322	12.5
59.00959	0.7
59.01245	10.4
63.93402	0.6
68.99651	0.6
71.01254	5.2
71.50340	0.7
72.99188	2.7
73.02832	1.1
75.00746	2.3
78.54095	0.5
83.00810	0.6
83.01237	3.2
84.02045	2.7
85.02821	100.0
86.03153	2.2
87.00754	0.7
89.02329	0.9
100.72121	0.6
101.02334	2.7
102.76897	0.6
103.00245	1.8
109.90405	0.7
111.00768	4.5
115.00224	1.1
115.07531	4.4
129.01834	9.6
145.08557	0.7
147.02902	9.5
158.86099	0.7
173.00824	1.6
179.03435	0.7
191.01894	30.0
192.02325	1.0
209.02930	1.8
307.10400	3.7
307.13748	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1034
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97712	0.7
52.62772	0.6
55.01506	0.7
55.01756	2.7
55.94741	0.7
57.03052	1.0
57.03319	15.9
59.01251	9.0
71.01243	3.4
71.29437	1.7
72.99173	1.8
75.00754	0.8
83.01251	2.7
83.31720	0.7
84.02034	2.6
85.02821	100.0
85.95763	0.8
86.03157	2.2
87.00733	1.6
96.95901	5.5
101.02316	1.3
103.00238	1.0
111.00756	3.9
115.07520	5.8
118.63245	0.8
129.01813	8.7
147.02905	6.4
173.00832	1.5
191.01895	18.5
192.02277	0.9
210.32146	0.8
222.79169	0.8
227.12852	1.0
277.68808	0.8
307.08569	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	307.1034
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63270	0.4
55.01747	1.7
57.03060	0.6
57.03323	11.7
59.01250	9.3
68.99685	1.1
71.01250	3.8
71.26858	1.4
72.99184	1.3
73.02830	0.8
75.00746	0.9
83.01257	2.6
83.48714	0.5
84.02028	2.4
84.24545	0.5
85.02821	100.0
86.03170	1.5
87.00750	1.8
89.02322	1.1
99.00762	0.7
101.02317	1.6
103.00233	2.3
105.21119	0.5
111.00780	3.7
115.00240	0.7
115.07549	5.0
118.89281	0.5
119.03448	0.5
127.07535	0.6
129.01825	10.0
145.02780	0.7
145.08611	0.5
147.02893	10.1
148.03244	0.6
173.00844	2.3
191.01898	29.4
209.03004	1.8
212.52042	0.5
216.08493	0.6
269.08173	0.5
307.10379	3.6
307.13986	2.5
308.10577	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1034
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	3.2
57.03052	1.3
57.03321	18.8
59.01253	4.9
67.01755	1.4
71.01245	6.2
71.22199	1.2
72.99189	1.6
73.02815	3.0
73.08292	0.6
75.00726	1.1
83.01255	8.8
84.02039	3.1
85.02821	100.0
86.03178	1.5
101.02318	4.7
101.05959	17.1
103.03840	1.0
111.00764	32.2
117.57172	0.7
121.75427	0.7
123.18477	0.7
129.01825	46.0
130.02168	1.6
135.04427	0.7
159.84648	0.6
161.04439	2.2
169.08641	1.4
178.44917	0.7
187.02353	1.6
205.01656	1.4
205.03473	16.8
206.03822	1.2
223.04530	1.7
254.49574	0.8
291.02106	0.6
307.10452	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	306.0983
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	0.5
58.00466	1.2
59.01248	11.4
68.57695	0.4
71.01254	7.1
71.49683	0.5
72.28807	0.4
72.99168	0.6
73.02818	12.2
79.48473	0.4
83.01269	1.6
85.02828	1.4
101.02339	2.6
122.41142	0.5
124.55184	0.4
124.56055	0.4
128.04977	7.4
130.06517	100.0
131.03398	2.6
131.06862	4.9
142.06506	1.7
172.03964	1.3
172.07593	4.5
174.05516	19.4
175.05875	0.8
201.93036	0.4
262.10825	55.7
263.11172	4.3
306.09909	6.8
306.13297	0.9
307.10306	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1034
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01761	2.0
57.03324	15.5
59.01248	9.3
60.08479	0.4
67.22572	0.3
68.99686	0.9
69.18813	2.0
69.19249	2.7
71.01252	5.4
71.67111	0.4
72.99189	1.8
73.02821	0.8
75.00749	1.0
83.01249	3.3
84.02049	1.9
85.02821	100.0
86.03165	1.4
87.00749	1.6
89.02322	0.7
96.95901	0.9
101.02321	1.8
101.05957	1.0
103.00240	1.5
103.03905	0.5
111.00754	5.3
115.00248	1.0
115.07527	5.2
129.01823	10.4
133.89090	0.5
134.03622	1.1
145.01337	0.5
147.02898	6.9
147.04044	0.5
149.05948	0.5
161.04491	0.6
173.00870	1.4
183.10165	0.8
191.01892	20.9
205.03479	0.9
209.02950	1.1
307.10492	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	306.0763
Annotation	Glutathione
Peak:m/z	Relative Intensity
52.87828	0.6
53.69358	0.5
57.03311	0.7
58.02844	14.1
59.01245	4.1
66.03356	1.4
68.04892	0.7
70.02843	2.3
70.30006	0.6
70.83134	1.5
71.01237	2.4
72.00776	1.9
74.02341	26.6
78.91306	0.6
79.54125	0.5
81.04446	1.8
82.02856	3.2
84.04386	1.1
85.02823	3.7
85.03929	1.2
86.02347	11.0
86.05979	1.4
86.98978	1.9
87.05511	11.1
88.03896	1.2
90.00056	3.4
93.11611	0.5
96.04419	1.0
97.03947	4.1
99.05515	23.0
100.00288	0.9
100.03896	0.7
101.07081	3.3
102.05479	2.9
107.06042	1.4
109.03941	3.3
111.05525	1.9
112.03936	3.6
113.03482	1.0
116.01635	1.8
120.01157	0.9
123.05556	2.8
124.03931	2.4
125.03442	3.4
126.01883	0.7
127.05045	5.2
128.03423	71.6
129.01793	0.7
129.03780	1.6
129.99561	0.8
131.04495	2.2
135.05519	5.2
137.07104	1.6
141.06590	7.3
143.04520	100.0
144.01141	1.0
144.04851	2.4
145.06064	3.7
146.04477	10.3
149.07085	0.7
153.06586	6.1
155.08104	1.4
160.00644	26.8
166.09753	3.2
167.04506	7.6
167.08174	2.0
170.03209	1.4
171.04053	1.3
171.07716	1.4
177.03282	9.2
179.02977	1.3
179.04530	20.2
180.04791	0.7
181.06052	2.6
184.10843	1.9
185.05586	5.9
192.07666	1.6
197.05600	3.8
198.08730	1.8
206.47903	0.6
210.08769	22.2
211.09079	1.0
213.03191	0.8
228.09865	1.4
231.04285	1.0
241.92711	0.6
242.07744	2.4
254.07803	28.3
255.07977	1.3
260.08832	0.6
272.08868	36.3
273.09116	1.8
288.06592	6.7
292.42709	0.6
306.07623	43.7
307.07794	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	305.2485
Annotation	5(Z),8(Z),14(Z)-Eicosatrienoic Acid
Peak:m/z	Relative Intensity
53.44279	3.5
63.38756	2.6
70.41759	2.7
71.52834	5.0
84.42062	2.6
85.44209	3.0
85.65659	2.9
85.70851	2.6
96.05664	3.0
110.11432	3.5
146.25804	3.0
190.40990	3.2
202.98024	3.4
215.14616	3.3
234.11304	3.5
267.32028	3.0
294.61270	3.4
305.24872	100.0
306.25180	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	305.1757
Annotation	Corrin
Peak:m/z	Relative Intensity
56.05684	1.0
59.01231	2.0
64.22859	0.8
66.91892	0.8
71.36835	1.5
81.02345	0.9
81.76427	0.8
89.81608	0.8
97.06433	2.0
101.38107	0.9
117.06978	1.1
121.02840	8.3
123.07996	1.1
125.09608	11.6
127.11102	1.1
133.06418	1.2
135.08055	2.7
140.90630	0.8
143.10622	1.0
158.07259	2.5
159.08061	2.6
161.05969	2.5
171.10173	23.6
172.10608	1.4
177.09146	1.0
232.09789	1.0
243.17502	2.1
259.16953	1.1
261.18445	1.7
269.15518	1.4
275.16507	3.4
277.18015	6.7
287.16516	38.6
288.16907	3.9
305.17566	100.0
306.17883	10.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1757
Annotation	Compactin diol lactone
Peak:m/z	Relative Intensity
52.71232	0.5
57.03315	0.8
59.01242	2.2
64.43766	0.5
67.38715	0.5
69.16462	4.2
71.01255	0.6
83.04921	0.6
93.03312	0.6
97.06437	1.1
107.04945	0.5
108.02008	0.6
108.43982	0.5
109.06468	1.0
114.37558	0.6
121.02827	1.9
125.09599	3.8
127.11233	0.7
133.06509	0.5
135.08063	1.6
147.04439	0.5
147.07953	0.6
149.05908	0.5
149.09619	1.4
151.11272	0.6
162.06757	5.6
171.10162	10.6
175.11440	0.5
189.12819	0.5
195.10168	0.5
209.11766	1.4
231.17450	1.7
243.17505	2.3
247.13377	2.8
261.18576	0.9
275.16522	1.3
277.18130	2.7
287.16431	4.9
303.16132	1.7
305.08237	1.8
305.17575	100.0
306.17932	9.4
306.21356	0.9
308.12698	0.8
322.82260	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1756
Annotation	Corrin
Peak:m/z	Relative Intensity
59.01239	1.0
71.19452	1.8
73.02818	0.9
79.25874	0.7
82.71986	0.7
91.05415	3.2
97.06464	2.3
106.04128	7.4
107.08568	3.0
111.07969	0.7
113.98040	0.7
117.06989	3.2
119.04907	2.7
121.02835	1.5
123.08035	1.1
124.56958	0.8
125.09609	12.9
133.06445	1.3
135.08049	31.9
148.59705	0.8
151.37692	0.8
153.09064	1.3
159.07922	0.9
161.05986	1.1
162.06743	4.8
165.12759	1.7
171.10184	9.4
185.11710	1.9
231.17488	1.2
233.96410	0.7
243.17500	2.2
247.13351	3.0
249.14946	1.2
259.17001	0.9
261.14893	3.1
269.15469	4.4
275.16345	1.7
277.18054	3.1
287.16544	15.7
287.19830	1.7
288.16849	1.7
303.15970	1.5
305.17557	100.0
305.21204	40.6
306.17896	9.5
306.21533	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	305.1757
Annotation	Corrin
Peak:m/z	Relative Intensity
51.19253	0.6
52.51025	0.6
54.10078	0.6
54.43355	0.6
57.03323	1.4
59.01244	6.2
69.03340	1.4
71.01254	1.3
71.04891	3.9
71.50239	1.3
83.04902	1.1
85.02846	1.1
87.00797	0.8
95.01221	1.2
95.04906	1.7
97.06474	2.9
106.04122	0.9
107.08502	0.7
107.81074	0.7
108.01994	1.0
109.06448	2.1
113.02283	1.0
119.04929	0.8
121.02828	2.4
121.06496	0.6
122.30862	0.6
123.08032	1.3
125.05975	1.2
125.09615	3.1
127.07536	0.9
133.06462	1.5
135.08058	1.6
135.59723	0.7
136.05188	2.5
139.11157	1.7
147.04347	0.9
147.08061	1.0
149.05949	0.9
149.09647	1.5
151.11147	1.6
153.09116	2.9
158.07234	0.9
159.08000	0.9
161.09613	0.8
162.06705	2.8
165.09114	0.9
165.12708	0.9
167.10661	2.1
171.10155	4.4
175.11197	0.8
177.31963	0.6
179.10663	1.8
189.12738	3.4
195.13802	2.4
201.12747	1.0
207.13879	1.0
209.11746	4.8
223.09723	1.1
231.13850	2.8
231.17505	1.1
233.11763	1.1
233.18958	0.7
239.09077	1.5
243.17508	11.5
244.17809	1.2
247.13350	7.9
249.14877	3.3
249.18544	0.9
254.89777	0.8
255.93532	0.6
259.16980	1.6
261.18570	5.5
261.22168	1.1
262.06470	0.7
269.15549	1.5
275.16431	2.2
276.13681	1.9
277.18039	7.5
287.16495	31.3
288.16782	3.0
303.16074	0.8
305.08295	2.3
305.17551	100.0
305.21194	25.0
306.17877	9.0
306.21484	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1758
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23717	1.5
54.28426	1.4
59.01253	9.8
59.01492	1.6
69.03319	2.2
69.20407	14.1
70.58644	1.3
71.01268	2.3
93.03339	2.4
93.06987	1.5
95.01268	3.9
95.04876	2.2
96.02541	1.5
97.06474	2.2
98.03628	1.4
107.04897	2.9
107.08588	1.4
109.02848	2.0
109.06468	5.9
111.00769	1.8
111.04423	2.7
111.08048	1.8
119.04951	1.8
121.02883	2.4
121.06467	1.4
123.04409	1.9
123.08026	1.7
125.09623	4.0
131.04929	2.2
133.10124	2.3
135.04430	3.5
135.08058	2.2
136.05168	1.3
137.05986	2.3
137.09688	1.9
149.05965	2.2
149.09631	3.6
151.07582	3.3
151.11218	5.8
153.09097	13.7
155.10652	4.4
161.09634	1.8
163.07524	1.7
163.11183	1.4
166.09993	2.3
167.10696	5.1
175.11133	2.9
177.09244	1.9
179.10666	3.2
181.12209	2.0
189.12750	13.2
195.10185	2.5
203.10817	1.6
205.12183	2.1
206.63712	1.5
207.13850	2.2
215.14459	2.4
222.08983	4.2
223.09697	3.8
224.10519	6.4
231.14072	2.5
233.19110	1.6
239.09180	7.5
243.17490	54.1
244.17856	4.4
259.17026	2.1
261.18561	18.0
269.15500	4.0
277.18073	2.9
287.16504	38.4
288.16858	2.0
305.17603	100.0
305.21133	9.1
306.17822	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	305.1756
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	13.9
69.33914	12.0
69.34323	6.4
71.01240	4.4
76.83685	2.3
80.60168	2.0
81.03321	3.4
83.04909	2.4
83.14064	2.4
85.02821	2.4
88.01290	2.2
93.03317	4.8
95.01250	5.3
95.04920	4.7
97.06467	7.7
107.04919	3.3
109.02829	4.8
111.00739	2.3
121.02833	3.7
122.03672	3.1
123.08054	3.0
125.02339	4.4
125.05997	11.5
127.07529	7.4
135.04449	2.8
135.07965	2.6
136.05185	2.5
138.06737	3.3
139.07497	2.2
149.09631	5.1
151.11163	6.7
153.09123	4.3
164.08372	2.8
175.07567	2.4
175.11194	4.1
179.10736	3.1
188.89214	2.2
189.12776	10.6
195.13847	18.9
204.36009	2.3
217.15739	2.2
223.13321	2.9
231.13828	4.6
233.19054	2.7
241.15865	2.5
243.17522	45.0
244.17839	2.3
250.11989	12.7
250.14436	2.3
259.17032	3.3
261.18655	8.8
266.38736	2.3
287.16507	45.6
288.16989	5.3
305.08459	4.4
305.14090	4.8
305.17593	100.0
306.18018	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	305.1367
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03307	1.5
59.01248	21.7
59.86681	1.1
61.98686	3.7
69.03311	3.3
70.67764	2.4
71.01249	1.5
71.04874	1.6
75.77878	1.1
78.44263	1.3
85.02810	1.9
89.02319	1.1
91.86633	1.2
100.91338	1.1
108.02020	2.2
160.62949	1.2
165.12766	2.9
167.10637	4.6
177.12782	1.7
179.10657	1.8
179.14319	4.5
195.13832	10.4
205.12260	12.0
223.13338	100.0
224.13690	6.6
225.86246	1.2
245.11644	8.9
269.19119	1.1
287.16473	2.5
305.08319	5.9
305.13614	9.2
305.17493	6.7
305.20856	2.4
306.13782	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1144
Annotation	Brachystemidine B
Peak:m/z	Relative Intensity
52.29299	0.3
58.02832	0.3
59.01246	1.4
59.59320	0.3
60.69125	0.3
65.99705	0.6
69.03330	0.4
69.84077	1.7
71.01262	0.8
74.02364	0.5
81.18884	0.3
82.02853	4.2
82.03282	0.5
85.02800	0.5
90.04163	0.3
92.04915	0.5
94.02853	2.2
96.04445	2.9
96.95891	1.0
97.02843	0.8
98.20471	0.4
98.95467	1.0
101.02341	0.7
117.20260	0.3
120.04426	1.0
122.02775	0.6
122.03607	4.0
122.06019	1.7
128.03444	0.6
135.08154	0.3
136.03972	1.3
138.05508	100.0
139.05840	3.5
143.04558	1.5
146.06021	0.4
149.04700	0.4
150.05489	0.6
161.04648	0.6
174.05479	0.5
176.07007	0.3
188.07097	1.1
190.08698	1.0
202.08669	0.9
216.10265	0.6
217.06151	1.3
217.09177	0.4
218.06900	1.7
218.11813	1.6
231.52512	0.3
233.09242	4.6
234.09421	0.4
244.09767	0.8
245.09352	0.7
245.13866	0.5
246.07620	0.5
253.43454	0.3
254.07715	0.3
261.12445	9.4
262.12683	1.0
272.08783	0.6
287.10413	1.7
305.08533	0.5
305.11432	13.1
305.16025	1.3
306.11823	0.8
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
58.02844	38.5
58.78711	1.0
61.10471	1.1
65.98044	1.0
85.08820	1.0
101.54151	1.1
123.68346	1.0
149.98439	0.9
168.13843	100.0
169.14180	3.8
212.12912	2.7
235.51944	1.0
304.16263	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	305.07
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71589	0.7
59.01250	38.6
69.64743	4.9
71.01254	1.1
79.95605	2.1
96.95885	100.0
97.06450	1.0
105.17490	0.8
106.30623	0.7
130.06546	1.1
136.36499	0.7
143.04506	1.4
147.08086	1.4
157.05309	0.7
165.09151	1.0
179.56683	0.7
225.11282	25.4
226.11659	1.8
305.06989	68.5
306.07349	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	303.1812
Annotation	CPX
Peak:m/z	Relative Intensity
52.03003	0.8
57.03317	5.6
59.01248	100.0
60.01582	1.8
69.03308	1.6
70.66432	2.1
71.01243	1.2
71.04877	3.3
83.04944	0.9
85.06476	1.4
87.04385	9.8
97.06461	2.8
101.05953	2.3
102.00146	0.8
109.02852	1.2
109.06538	0.9
111.08036	5.6
123.07999	1.5
137.09607	6.4
139.07608	2.0
155.10680	15.3
185.32593	0.9
209.58165	0.9
224.76717	1.0
243.15999	9.5
256.43509	1.1
271.37915	0.9
303.18127	90.9
304.18451	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	303.1602
Annotation	1,7,7-trimethylbicyclo[2.2.1]hept-2-yl 4-hydroxy-3-methoxybenzoate
Peak:m/z	Relative Intensity
55.01757	2.8
59.01254	0.9
59.73378	0.3
67.18192	0.3
69.77806	0.7
69.78214	1.8
71.04892	2.5
80.37430	0.3
83.01319	0.4
83.04863	0.4
88.77355	0.4
92.70864	0.4
99.50903	0.4
117.45438	0.4
119.04915	8.5
121.02841	1.2
163.03932	0.5
171.04301	0.4
175.07510	0.9
199.03760	0.5
201.12782	2.8
203.14337	2.0
229.12253	2.4
231.17490	2.4
245.11798	1.1
247.13295	1.4
256.10956	0.4
259.17078	1.3
275.16519	15.0
276.16919	1.3
285.14905	1.3
303.15991	100.0
304.16354	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1351
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01236	0.8
62.59913	0.6
66.60540	0.6
69.60910	3.3
71.01254	0.9
76.20967	0.6
82.46205	0.6
85.02808	1.1
115.07531	5.0
116.04977	3.7
118.06502	1.1
121.05203	0.7
128.04970	4.4
130.08636	100.0
131.08972	2.7
132.04416	5.4
144.04460	23.9
146.06018	38.1
156.06581	2.5
162.05490	2.5
164.01254	0.7
172.03951	15.6
189.06602	2.3
259.14493	5.0
285.12491	1.0
303.13492	41.6
304.13635	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	303.135
Annotation	Unknow
Peak:m/z	Relative Intensity
56.99490	1.0
59.01240	1.2
61.98701	1.6
71.01243	1.6
71.50782	1.4
72.42214	1.0
77.68664	1.0
108.45259	1.0
111.00777	1.6
114.39235	1.0
115.07527	16.3
116.04947	3.3
128.04965	3.6
129.36401	1.1
130.08627	100.0
131.08958	3.1
132.04456	4.5
135.23975	1.0
144.04448	24.7
145.04926	1.2
145.31314	1.0
146.06013	36.6
156.06584	1.7
162.05479	1.7
172.03934	15.4
189.06613	1.6
219.14697	1.0
241.13483	1.1
259.14502	4.5
303.13498	40.2
304.13837	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	301.166
Annotation	Viridamine
Peak:m/z	Relative Intensity
60.97365	0.8
70.10681	2.0
71.67641	0.4
74.98925	1.0
91.02079	0.5
118.96132	0.6
134.99286	5.4
136.97241	2.3
143.05215	0.9
150.98792	0.6
159.08342	1.2
161.06294	5.9
162.06351	0.6
173.01942	0.4
203.05612	3.4
205.03540	0.8
215.05623	1.2
217.07153	84.4
218.07295	6.9
285.13467	34.7
286.13608	3.8
288.73691	0.4
298.62787	0.4
301.16595	100.0
302.16824	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	303.1087
Annotation	Unknow
Peak:m/z	Relative Intensity
54.87564	3.0
57.03323	3.2
59.01248	100.0
69.03328	4.3
71.01245	13.6
71.50410	3.0
71.50791	3.9
72.99181	14.5
73.02805	4.4
75.00728	7.2
85.02810	3.9
89.02306	13.6
96.95913	5.6
97.06454	10.6
99.00783	5.2
99.04386	6.5
101.02335	4.3
111.04437	3.8
111.08030	4.7
112.98691	4.9
113.02309	3.2
117.01821	9.0
121.06476	5.7
125.05986	4.1
135.02872	3.5
139.07549	7.6
142.99777	23.8
147.90170	3.2
149.06006	7.2
153.05447	3.5
167.07014	9.2
167.10619	5.6
174.01575	8.8
181.08676	4.4
185.11761	25.4
189.40276	3.0
199.31151	2.9
209.64758	3.3
225.07596	9.1
229.10730	4.1
234.80754	3.0
256.51221	3.6
257.55719	3.0
259.91129	3.6
303.09216	3.0
303.14392	15.9
303.18039	4.8
303.21564	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	301.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03312	0.5
58.00453	0.9
58.01093	0.2
59.01249	4.4
69.03331	0.5
71.01252	21.1
71.50845	0.3
72.99163	0.4
73.02831	0.3
75.18808	0.2
81.03356	0.3
83.04894	0.4
87.00748	2.2
89.02321	1.8
90.46398	0.2
91.32333	0.2
93.03329	0.2
95.04899	0.4
102.80907	0.2
109.06439	0.2
111.08000	0.5
111.68674	0.2
123.00759	0.3
129.08997	0.2
149.09645	0.5
151.00301	0.4
152.79141	0.2
155.10570	0.3
165.12743	4.2
167.14285	1.0
179.14314	0.5
181.12100	0.3
183.13838	7.3
184.14095	0.3
191.14374	0.3
193.12325	1.7
193.13853	0.3
195.13823	0.7
203.14354	0.5
209.11722	0.4
211.13335	100.0
212.13680	5.3
213.14915	3.8
217.07159	0.3
218.99298	0.3
221.15349	0.5
223.13280	1.1
225.14877	0.3
235.13391	1.2
237.58934	0.2
241.14424	13.3
242.14688	1.0
243.15869	0.3
245.00739	0.3
247.13322	1.0
253.14413	2.0
254.14740	0.2
255.15961	3.0
256.16241	0.3
257.04495	0.9
265.14429	4.5
266.14719	0.3
271.15607	0.6
283.15506	1.2
301.00455	0.4
301.03455	1.5
301.16623	2.2
301.20206	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	301.1656
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55728	0.1
50.70114	0.1
58.00487	0.1
59.01241	0.7
65.90424	0.1
69.52467	0.4
69.52894	0.5
71.01252	0.2
81.57798	0.1
89.02317	0.6
91.03882	1.0
97.06467	0.2
111.08026	0.3
165.11380	0.3
165.12747	3.5
166.13087	0.2
179.72449	0.1
183.13824	100.0
184.14157	5.1
209.11780	2.3
227.12827	5.0
228.13295	0.3
300.99808	0.1
301.16559	9.1
302.16977	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06209	0.5
54.16187	0.4
58.00453	1.0
59.01249	3.9
60.44192	0.4
70.98218	0.7
71.01251	20.6
72.01598	0.4
87.00752	1.2
89.02309	2.0
142.45483	0.4
149.09610	0.4
159.61356	0.5
165.12752	4.7
167.10809	0.6
167.14241	0.6
169.21646	0.4
183.13832	5.9
193.12225	1.6
195.13954	0.5
195.63014	0.4
203.14246	0.6
209.11755	0.7
211.13330	100.0
211.34738	0.4
212.13687	5.7
213.14893	3.4
223.13293	1.2
235.07835	0.4
235.13370	1.0
237.14943	0.7
241.14413	14.9
242.14827	1.0
247.13321	1.4
253.14355	2.6
255.15997	2.8
265.14401	3.4
271.15445	0.8
274.77466	0.5
283.15570	1.3
301.03635	0.4
301.16574	1.9
301.20206	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1404
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	42.6
61.98693	100.0
70.46566	40.3
70.46966	32.6
71.01243	19.9
78.95754	30.3
79.47462	16.6
83.04897	27.3
122.77657	18.3
123.00751	73.5
138.03143	32.5
179.29457	18.9
183.13826	56.8
198.36668	20.3
199.13399	20.7
204.74147	18.8
209.11606	24.1
211.13266	44.3
225.14970	19.7
227.12837	50.1
233.11449	18.5
257.17477	34.0
300.99817	57.6
301.03369	49.8
301.10950	34.7
301.13974	31.2
301.16949	54.6
301.20175	24.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1657
Annotation	oscr#3
Peak:m/z	Relative Intensity
59.01254	1.8
66.74908	0.3
70.98782	0.7
71.01250	0.9
74.05206	0.4
75.76518	0.3
82.90350	0.3
83.04890	0.8
85.95763	0.3
87.52930	0.4
91.03888	1.1
98.91744	0.3
103.33537	0.3
107.17347	0.3
111.08049	0.5
117.86026	0.4
123.00778	0.9
138.03133	0.5
149.02431	0.3
150.86130	0.3
163.11198	0.6
165.12761	4.3
183.13828	100.0
184.14140	5.9
199.13368	0.9
209.11763	12.8
210.12096	0.6
210.89812	0.4
211.13304	0.4
227.12828	8.8
228.13058	0.4
233.20940	0.4
237.14925	0.6
241.14333	0.4
247.13454	1.2
257.04477	0.5
265.14444	0.9
271.06241	0.5
283.15433	1.3
286.08453	0.5
301.03601	0.9
301.11398	0.6
301.16693	10.6
301.20270	1.4
302.17081	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.108
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49650	0.5
59.01274	1.2
61.98724	1.2
70.42603	2.2
88.42853	0.6
97.43585	0.6
99.04440	0.7
108.02082	1.6
121.02907	1.9
123.00758	1.4
123.04423	1.6
131.82770	0.6
138.03149	0.8
145.02843	0.6
148.01607	1.9
149.02327	3.6
150.03148	3.9
158.03633	0.8
159.04456	2.4
165.05493	5.2
183.04431	8.6
184.05223	2.7
187.03934	2.7
195.04497	2.2
196.05144	0.8
197.06042	2.8
199.03981	1.4
199.07463	0.7
200.04756	3.2
209.06038	1.2
210.03148	2.5
211.03973	8.7
212.04692	4.8
213.05461	2.6
215.03444	0.7
223.03899	0.8
224.04730	1.8
225.05504	9.8
226.06067	0.8
227.03438	20.3
227.07137	1.7
228.04152	11.8
229.04727	0.9
236.04720	1.2
237.05516	1.0
238.02702	1.1
239.03442	7.5
240.04228	11.2
240.07910	2.3
241.04926	4.2
242.05705	1.4
243.02831	0.8
243.06570	9.9
252.04259	0.6
253.05013	12.4
254.05614	1.4
255.03015	4.5
255.06596	19.6
256.03745	26.5
256.07089	3.3
257.04166	2.3
268.07446	5.9
270.05612	1.3
270.08942	19.7
271.06116	100.0
271.09460	7.0
272.06458	7.0
283.09787	1.8
286.08444	74.4
287.08765	6.2
301.03574	1.0
301.07425	1.1
301.10797	32.4
301.20175	2.6
302.11029	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	301.1081
Annotation	Unknow
Peak:m/z	Relative Intensity
55.95849	1.3
59.01243	2.8
61.98690	2.0
62.10187	1.2
71.49289	1.5
71.49653	1.4
98.93926	1.2
108.01991	1.4
108.51484	1.3
114.97592	1.4
121.02805	3.2
123.00773	3.1
130.71677	1.3
149.02316	9.0
150.03130	10.5
164.04666	2.4
165.05490	14.3
169.06554	1.3
171.04337	1.4
183.04460	1.8
184.05145	2.7
187.03929	5.7
195.04433	4.5
196.05199	2.0
197.05974	5.9
198.03247	1.6
209.05991	2.4
211.03957	6.2
212.04742	8.9
213.05452	6.6
223.03973	3.2
224.04692	3.3
225.05530	33.8
226.06010	2.8
227.07094	6.3
236.04732	1.6
237.05522	3.0
238.06346	1.7
239.03271	1.3
240.04243	37.7
240.07845	13.0
241.04985	15.9
241.07362	2.0
241.08318	1.5
242.05544	2.4
243.06610	3.3
252.04230	1.4
253.04999	28.0
254.05345	2.9
255.06592	100.0
256.07227	15.2
257.04630	2.3
267.06485	2.4
268.07382	15.6
270.08966	81.4
271.06137	12.9
271.09671	32.0
272.10089	2.0
282.05396	1.5
283.06488	1.7
283.09555	7.0
285.03851	1.9
286.08490	12.2
300.99829	1.7
301.03351	1.5
301.07260	2.2
301.10806	30.0
301.14017	1.9
301.16852	2.1
306.69702	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1081
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63686	1.2
56.70826	1.3
59.01251	1.2
65.93976	1.3
69.00781	1.2
70.54374	3.2
78.66228	1.2
121.02811	2.0
149.02351	6.3
150.03140	8.7
164.04808	1.6
165.05507	13.1
168.02934	1.3
169.06444	1.9
183.04520	1.8
184.05168	4.3
187.03979	6.7
195.04387	4.2
196.05209	1.6
196.10594	1.3
197.06056	7.1
208.05202	1.8
209.05956	1.7
209.11700	2.5
211.03905	4.7
212.04672	12.3
213.05443	7.2
223.03979	3.1
224.04689	3.6
225.05511	25.1
226.06139	2.9
227.07158	7.1
236.04683	1.9
237.05551	2.6
239.07045	1.8
240.04225	38.2
240.07877	9.0
241.05013	15.1
241.08516	2.1
243.06458	1.9
253.05026	23.6
254.05582	2.5
255.06601	100.0
256.07251	16.7
267.06537	1.8
268.07379	13.5
270.08960	92.6
271.06152	7.7
271.09644	34.6
272.09897	1.9
283.09781	5.0
286.08420	9.5
301.10788	23.0
301.20068	2.0
302.11267	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	301.1081
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74662	0.6
54.39823	0.5
59.01259	0.7
70.84099	1.7
72.27158	0.6
77.73975	0.5
95.01216	0.6
108.02068	1.2
109.02854	1.7
121.02833	2.8
123.00761	1.3
123.04397	0.9
138.03011	0.6
139.03928	0.8
141.85316	0.5
146.03607	0.7
147.04446	0.6
149.02350	13.6
150.03134	15.8
159.04413	0.9
163.03900	0.6
164.04684	2.9
165.04134	1.4
165.05489	17.0
167.05043	1.1
169.06535	1.7
171.04546	0.7
172.19473	0.6
181.06490	1.0
182.03577	0.7
183.04433	3.7
184.05229	4.2
185.06030	1.8
187.03911	7.2
189.05417	0.8
195.04442	5.9
196.05159	2.4
197.05983	8.6
199.03973	0.6
208.05199	1.9
209.05946	1.8
209.11681	0.9
211.03954	5.9
211.07501	1.3
212.04712	10.3
213.05525	9.6
214.05908	0.8
215.07126	1.3
223.03952	4.2
224.04759	4.4
225.05519	37.8
226.06047	3.6
227.07059	6.8
235.04001	1.0
236.04767	2.6
237.05559	3.7
238.06261	1.4
239.03481	1.2
239.07201	1.5
240.04239	40.9
240.07893	10.8
241.04962	16.8
241.08592	1.2
242.05655	2.4
243.06424	2.9
251.07172	0.8
252.04266	2.0
253.05029	40.7
254.05508	3.7
255.06598	100.0
256.07236	14.2
257.04614	1.4
267.06754	3.6
268.07373	18.8
269.07828	1.6
270.08963	68.3
271.06122	17.6
271.09662	28.0
272.06699	0.9
272.10135	1.6
282.05502	1.2
283.06287	1.6
283.09680	8.4
285.04041	1.1
286.08481	15.7
287.08984	1.4
301.10800	34.9
302.11130	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1079
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01238	1.4
70.90563	1.7
70.90886	1.3
108.02035	1.3
121.02844	3.7
139.47038	1.1
149.02342	5.5
150.03128	8.0
154.21774	1.0
164.04680	1.4
165.05469	8.6
171.04451	1.1
183.04434	3.3
184.05180	5.2
187.03940	5.6
195.04384	4.8
197.05986	6.9
211.03914	4.0
212.04774	10.2
213.05531	6.5
223.03894	3.1
224.04668	1.6
225.05518	24.6
226.06198	2.6
227.07100	7.9
235.03842	1.4
237.05569	1.7
240.04231	38.5
240.07826	12.2
241.04974	13.3
241.07419	1.2
241.08456	1.8
243.06628	1.8
253.05026	15.5
254.05455	1.8
255.06589	100.0
256.07260	14.4
267.06580	2.2
268.07339	8.3
270.08951	98.8
271.06128	7.9
271.09659	38.1
272.10049	2.5
283.09726	6.7
286.08481	9.4
291.88354	1.1
301.10785	27.3
301.20099	1.7
302.11221	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0929
Annotation	Calleryanin
Peak:m/z	Relative Intensity
55.01746	2.6
56.81272	0.7
57.03313	1.5
57.68283	0.7
59.01244	5.5
69.78388	3.7
71.00854	1.5
71.01252	32.4
73.02818	10.6
77.03845	1.0
80.02547	0.8
83.01260	5.1
85.02819	16.1
87.00762	1.1
89.02304	1.7
93.03328	3.9
95.01262	2.4
95.04900	100.0
96.05219	3.6
99.00738	4.9
99.84325	0.7
101.02317	13.9
111.04382	1.2
113.02332	12.9
121.02843	39.9
139.03909	33.6
140.04268	1.0
140.07054	1.7
159.02919	3.1
161.04449	7.9
185.77397	0.9
301.09232	16.0
302.09656	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	300.0723
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10418	9.7
57.13183	10.0
58.02845	100.0
59.01250	74.4
62.15282	9.8
71.29339	17.9
72.00778	26.1
74.02359	21.1
76.95829	10.3
81.03325	12.3
84.04422	15.2
86.02345	41.3
98.02372	18.4
107.04913	32.6
108.02036	13.6
108.04462	10.1
109.02824	9.9
114.01873	11.9
119.04904	64.9
121.02838	22.3
123.04386	21.7
134.05977	11.4
135.04416	72.4
136.07593	45.3
138.05516	14.2
145.02780	11.6
146.03188	14.2
150.05550	20.5
152.07045	33.7
164.07045	11.3
178.08656	22.7
180.06519	23.3
206.08115	14.9
222.07666	51.7
256.08322	14.3
264.54108	10.2
300.16840	68.2
301.10410	16.8
314.67908	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	301.0265
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00894	2.2
53.43821	2.8
59.01250	59.2
70.54646	5.4
70.54981	2.8
83.97307	2.1
115.02422	6.0
117.00333	4.8
123.00771	5.4
157.03447	2.3
159.01389	100.0
160.01508	4.5
201.02469	18.9
262.79407	2.7
271.94644	2.6
300.16544	3.1
301.02676	68.1
302.02878	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	301.0928
Annotation	Calleryanin
Peak:m/z	Relative Intensity
55.01757	2.0
57.03314	2.3
59.01258	5.4
71.01254	34.2
71.45097	1.4
73.02819	10.7
83.01259	3.1
85.02823	16.0
89.02347	1.4
93.03336	2.0
95.01241	2.4
95.04898	100.0
96.05216	2.7
99.00753	3.8
101.02307	14.9
111.04408	1.7
113.02335	12.5
113.89896	1.2
121.02846	38.0
121.03694	2.4
122.03144	1.8
123.00839	1.3
130.50841	1.4
139.03911	31.3
157.41783	1.2
159.02951	1.6
161.04451	5.6
166.85890	1.4
237.72433	1.4
301.09241	12.9
301.16983	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	299.2014
Annotation	Retinoic acid
Peak:m/z	Relative Intensity
59.01234	0.3
69.31172	1.4
79.58422	0.1
117.03342	0.3
121.02768	0.2
145.02850	2.0
201.09145	0.2
204.27151	0.2
213.09142	0.4
214.09966	0.3
215.10675	0.2
217.00293	0.3
227.10709	8.5
228.11339	0.8
241.12311	0.4
269.15479	0.6
283.16962	1.2
284.17847	0.3
299.20126	100.0
300.17340	0.3
300.20468	8.3
316.16614	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.2591
Annotation	DL-2-hydroxy stearic acid
Peak:m/z	Relative Intensity
54.00383	0.5
55.01755	0.5
61.03964	0.5
69.74604	0.5
71.01583	1.3
82.91941	0.5
88.54967	0.6
103.27524	0.6
129.45410	0.6
145.02823	0.9
192.13591	0.5
225.22209	0.6
237.05281	0.6
249.22261	0.7
251.23859	4.1
252.24309	0.6
253.25342	44.9
254.25667	3.9
273.07391	0.5
281.24976	0.7
297.62308	0.5
299.25903	100.0
300.26230	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	299.2589
Annotation	DL-2-hydroxy stearic acid
Peak:m/z	Relative Intensity
54.84952	0.3
59.01236	1.1
68.60728	0.4
71.00205	0.4
71.51659	0.5
99.92458	1.6
115.91963	0.5
117.03342	3.4
119.04908	1.4
121.02812	0.7
138.05452	0.6
139.11214	0.6
139.95645	0.4
141.12727	2.4
141.14806	0.4
145.02846	16.2
146.03201	0.4
155.14168	0.5
163.03812	0.6
174.76563	0.4
217.00240	0.6
253.25365	2.1
281.24768	1.4
284.03244	1.3
284.06839	0.4
297.24219	1.2
299.02319	0.6
299.05542	1.4
299.16483	23.2
299.20145	17.1
299.25873	100.0
300.16833	2.6
300.20505	2.2
300.26193	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1863
Annotation	Unknow
Peak:m/z	Relative Intensity
53.73905	1.1
57.03304	2.7
59.01251	45.4
59.34800	1.2
71.01238	2.2
71.42111	1.6
73.02810	1.4
83.04877	2.4
83.36570	1.3
85.02787	3.0
87.04359	2.9
111.04404	2.5
117.03354	11.7
119.04876	3.0
121.02807	2.7
129.05431	2.4
137.79146	1.3
138.05453	1.8
140.41077	1.3
145.02846	52.1
146.03114	2.1
155.51740	1.3
163.03825	1.6
167.14320	45.0
168.14583	2.2
174.99089	3.8
187.13194	2.5
207.10004	1.4
211.13341	47.3
212.13626	1.5
213.14801	6.2
213.52986	1.5
217.00247	12.5
227.16467	8.4
229.14406	100.0
230.14676	4.6
237.18590	6.7
239.14325	1.9
239.16489	25.0
255.15872	1.7
257.17560	73.3
258.17838	3.6
263.16391	5.4
281.17584	30.9
282.17804	2.0
284.03061	4.8
299.05490	5.3
299.16330	77.4
299.22256	2.5
299.25620	2.9
300.16821	6.3
314.27689	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	299.165
Annotation	Miltipolone
Peak:m/z	Relative Intensity
54.76523	0.5
57.58098	0.6
59.01238	1.7
70.66891	1.2
99.92435	1.4
115.91935	0.5
117.03339	11.7
119.04901	3.1
119.38213	0.5
121.02848	2.8
122.65340	0.5
123.04377	0.9
137.02382	0.6
138.05539	0.5
145.02849	62.2
146.03180	2.0
162.03108	1.5
163.03920	1.9
165.01834	0.6
185.00781	0.6
185.96194	0.6
217.00270	0.5
250.03630	0.5
253.09317	0.5
270.74405	0.5
280.66452	0.5
284.03226	2.1
299.05576	1.6
299.16501	100.0
299.25778	8.6
300.16858	8.7
300.26248	0.6
310.81757	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1649
Annotation	NCIOpen2_004112
Peak:m/z	Relative Intensity
53.70822	0.7
59.01245	4.2
65.00137	0.6
69.03301	0.9
71.01232	1.0
71.49780	1.0
83.04908	0.8
89.02297	0.9
91.05446	0.8
92.43417	0.7
93.03296	0.8
115.05424	3.2
117.03336	7.6
119.04895	4.8
121.02843	1.9
121.10097	1.2
131.04906	6.9
133.06477	10.0
138.05496	2.2
145.02841	33.7
146.03206	1.1
149.06015	1.6
153.09114	1.8
159.08078	4.6
163.03844	0.8
165.09108	1.7
171.10269	0.8
207.10184	0.9
215.53790	0.7
217.00252	1.7
218.99060	0.7
255.17502	3.0
271.17053	17.9
272.17264	1.4
281.15436	12.6
282.15784	1.4
284.03201	1.5
284.16696	0.8
299.05420	4.0
299.16495	100.0
299.19119	3.7
299.25879	2.8
300.16879	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	299.15
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03319	15.8
59.01256	7.4
69.03321	1.4
71.01234	1.7
71.04871	2.3
71.49499	1.0
71.49985	1.5
83.04896	1.2
91.08293	0.9
93.03342	1.3
97.06488	1.4
101.02373	0.9
111.08052	1.2
117.03352	6.0
121.02834	1.2
125.09624	2.9
137.05952	1.4
137.09566	2.0
138.05542	2.7
139.11186	4.1
143.07036	1.6
145.02861	34.8
146.03214	1.8
162.03145	1.4
165.12791	1.2
167.10793	1.1
167.14302	10.8
167.15619	1.4
174.99203	1.3
177.12785	5.3
193.12393	1.3
195.13829	100.0
196.14125	5.9
211.13301	1.8
217.00308	3.8
223.13387	1.7
225.11246	1.8
227.16457	29.0
228.16788	2.4
239.12854	4.1
260.27173	1.3
267.12338	6.3
284.03259	3.4
299.05606	4.1
299.09384	2.5
299.16702	45.2
299.25766	5.1
300.16763	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1402
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01268	1.2
71.01259	0.6
85.02846	0.3
89.02329	0.5
92.04939	14.8
93.03330	0.4
102.03396	0.6
107.03732	0.5
117.03344	1.5
118.02876	5.7
119.04936	0.5
120.04429	2.0
121.02874	0.3
128.95572	0.3
131.03671	13.7
132.04451	100.0
133.02879	0.3
133.04788	4.2
136.03998	0.3
138.05516	0.5
144.04446	0.6
145.02859	8.3
146.02324	0.7
149.09637	0.3
158.38269	0.3
163.03902	0.3
165.12729	0.3
172.06387	0.3
174.99094	0.3
195.13786	0.4
199.12256	0.3
207.10242	0.3
217.00206	0.7
223.13356	0.4
225.11232	0.4
227.11832	0.7
229.15012	0.3
255.15588	0.4
281.17618	0.5
284.03214	0.6
299.05215	0.8
299.13824	33.0
299.16614	7.2
299.25702	0.7
300.14230	3.1
300.16983	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0771
Annotation	Pseudolaroside A
Peak:m/z	Relative Intensity
59.01238	6.0
59.07969	2.0
69.17621	6.3
69.18033	14.6
71.01231	5.2
80.33952	1.8
80.45038	1.9
89.02299	2.9
93.03329	51.6
98.19848	4.7
101.02304	4.5
117.03303	6.6
119.04925	2.8
137.02335	100.0
138.05482	29.2
145.02841	40.7
163.03879	1.7
170.31047	2.2
281.39520	2.2
299.13022	3.6
299.16522	74.2
299.25739	4.6
300.16986	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	299.1135
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37057	1.5
59.01237	5.4
70.60776	1.8
70.98667	3.5
80.96374	3.2
87.00752	2.6
115.44646	1.9
117.03378	2.7
121.02798	1.9
127.66550	1.5
132.04440	1.8
145.02837	18.7
171.37698	2.0
183.13823	100.0
184.14137	4.5
191.56689	2.3
211.13327	43.6
212.13742	2.5
212.91747	1.8
218.35583	1.7
225.11154	5.0
227.12691	1.6
232.33408	2.0
236.75912	1.9
255.12349	92.9
256.12677	7.0
283.51425	1.9
288.47153	1.8
299.05582	11.6
299.08337	2.1
299.16525	32.2
300.16721	1.8
305.46356	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.207
Annotation	4alpha-Hydroxy-5beta-acetoxy-epi-cubenol
Peak:m/z	Relative Intensity
57.03329	0.6
59.01247	8.2
59.19616	0.4
64.37177	0.5
67.31379	0.5
69.75499	2.4
71.01243	5.2
73.02805	0.9
75.60883	0.5
79.01752	1.9
80.61134	0.4
81.06209	0.4
82.72612	0.5
84.10624	0.4
85.02811	1.4
89.02308	5.0
91.56041	0.4
99.08018	1.1
101.02321	3.3
101.05952	1.6
113.02319	2.1
113.05978	0.9
114.05919	0.4
114.06708	1.1
119.03380	2.3
123.08057	0.4
135.06506	1.9
139.11182	0.5
143.03473	0.6
149.05978	2.1
150.03143	0.5
161.04451	1.0
167.14314	3.1
178.28288	0.5
179.05493	1.3
183.13814	3.2
193.04973	2.1
195.13809	11.2
211.13322	1.1
213.14857	1.3
242.15108	1.0
251.20032	1.0
253.12276	0.6
255.10165	1.4
279.19598	9.1
297.11526	11.3
297.20685	100.0
298.11853	0.6
298.21048	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	297.1707
Annotation	Hebelophyllene G
Peak:m/z	Relative Intensity
55.01755	2.2
57.03316	3.1
59.01248	54.8
61.98687	4.8
70.65345	3.3
71.01251	34.5
72.99183	2.5
73.02812	4.7
75.47340	1.3
79.01750	5.4
79.30469	1.3
83.01265	1.9
83.04900	1.5
85.02819	9.6
87.00753	3.8
89.02313	40.7
95.01266	1.9
97.06451	3.8
101.02306	25.0
113.02345	14.8
119.03384	15.4
121.02842	4.0
122.03667	6.2
125.05983	1.3
131.03328	1.5
135.04395	1.5
135.06519	12.2
136.05194	1.9
139.11151	5.6
143.03423	2.7
149.05980	6.7
161.04494	8.3
164.08354	1.6
168.04283	1.6
179.05537	6.5
179.14249	2.0
193.04982	6.3
203.14209	6.1
208.23041	1.4
211.97699	1.7
219.13832	2.2
221.15419	64.1
222.15686	3.2
226.40773	1.2
247.13339	15.6
253.18152	9.2
255.10062	1.7
265.14429	100.0
266.14679	6.7
279.16049	3.1
297.11771	41.6
297.17053	95.2
297.24258	23.1
297.27747	2.4
298.11856	4.0
298.17407	7.9
298.24634	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1341
Annotation	Unknow
Peak:m/z	Relative Intensity
54.48914	0.8
55.01746	0.7
57.03309	1.4
58.00423	0.7
58.42129	0.7
59.01247	38.6
60.01614	0.6
60.10579	0.7
61.98702	1.5
63.55933	0.6
68.88137	0.7
69.03278	0.7
69.15629	3.9
69.16058	3.6
71.01252	13.5
72.99182	1.7
73.02812	2.0
79.01762	2.2
83.01251	1.4
83.04909	0.8
85.02821	4.0
89.02309	15.3
95.01265	1.4
97.02847	0.8
97.06412	1.0
98.17066	0.8
98.74979	0.7
101.02318	12.4
111.08049	0.8
113.02345	7.0
113.09573	0.8
115.92891	0.6
119.03397	7.0
135.04387	0.8
135.06523	5.7
137.09625	0.9
141.09120	2.4
143.03389	1.5
149.05963	2.6
150.03175	0.9
161.04486	4.9
169.19310	0.8
178.02655	0.8
179.04184	0.8
179.05458	4.1
185.11716	3.9
191.14304	4.9
191.49571	0.7
193.04980	2.9
209.15399	100.0
210.15729	7.0
214.46753	0.7
217.12283	2.2
235.13374	1.3
235.16951	1.0
237.09727	0.9
237.14868	1.1
238.09673	0.8
253.11777	1.0
253.14415	16.1
254.14717	1.0
255.10207	1.3
261.14877	1.3
279.16046	2.3
297.04114	1.4
297.11667	14.0
297.17117	5.7
297.20801	1.6
297.24277	10.4
298.04819	0.8
298.11777	1.0
298.24692	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1124
Annotation	(+)-6,8-Di-C-methylpinocembrin 5-methyl ether
Peak:m/z	Relative Intensity
55.01759	2.2
57.03307	1.4
58.00445	0.9
59.00959	1.0
59.01245	17.4
60.30914	0.6
67.46056	0.5
68.99654	0.7
71.01254	10.3
72.99169	0.9
73.02812	1.5
77.01436	0.5
79.01759	48.2
80.02109	1.0
81.03316	0.7
82.35868	0.5
85.02831	3.7
87.00757	0.7
89.02309	11.6
95.01239	0.6
99.00773	0.7
101.02332	6.0
109.02828	3.8
113.02331	4.6
119.03394	5.1
119.04829	0.6
124.29789	0.6
125.05961	1.5
135.06529	3.9
143.03410	0.8
149.05981	39.5
150.03102	1.6
150.06319	1.6
161.04466	3.4
166.06926	0.5
167.07024	1.2
178.02629	0.9
179.05496	3.2
183.08154	0.8
193.04984	45.6
194.05284	1.6
197.02733	0.8
211.11223	7.3
212.11484	0.8
253.12318	2.2
255.10252	23.5
255.51962	0.6
256.10620	1.4
297.11346	100.0
297.20694	2.4
297.24347	8.4
298.11664	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	297.113
Annotation	(+)-6,8-Di-C-methylpinocembrin 5-methyl ether
Peak:m/z	Relative Intensity
55.01757	2.1
57.03316	6.0
58.00444	0.8
59.01247	22.3
61.98698	2.0
68.99709	1.0
71.01250	13.2
72.99192	0.9
73.02820	2.3
79.01758	15.5
79.05391	0.8
79.95599	1.4
83.01279	1.2
85.02810	3.4
87.00749	1.6
87.04391	1.1
89.02311	14.0
98.20580	1.5
101.02317	7.1
101.05543	0.7
109.02821	1.2
113.02322	4.4
119.03382	6.6
121.06467	1.2
125.05936	0.7
135.06519	6.9
143.03450	1.7
149.05978	14.5
150.03113	2.3
155.08623	0.7
159.08081	1.2
161.04465	4.0
164.82243	0.7
166.06189	0.8
167.07060	3.0
171.04460	4.6
173.09583	1.3
174.48016	0.9
178.02621	1.7
179.05550	3.4
183.01117	11.0
183.08058	2.4
193.04994	18.0
197.02721	7.8
200.08406	1.1
211.11243	2.0
229.12253	1.0
237.09595	1.2
253.12309	9.6
254.12607	0.9
255.10287	1.5
282.08902	0.9
297.11359	100.0
297.15247	35.1
297.20694	1.5
297.24310	12.2
297.27707	1.6
298.11661	9.2
298.15344	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	296.2311
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01764	0.6
56.76234	0.4
57.03313	2.4
57.51575	0.5
59.01248	11.8
60.01567	0.7
71.01251	5.8
71.51051	0.5
71.51400	0.7
72.99172	0.6
73.02807	0.6
79.01764	8.9
85.02814	1.1
89.02319	6.1
90.52234	0.5
101.02313	3.2
109.02818	0.6
113.02340	2.4
113.09581	1.5
114.09949	0.9
119.03387	2.4
135.04414	0.6
135.06548	2.3
144.79681	0.5
149.05991	8.0
150.03134	1.8
161.04483	1.2
167.06947	1.0
171.04399	1.8
172.10461	0.5
178.02686	1.2
179.05475	1.7
180.14618	0.5
181.12265	0.6
183.01102	3.1
193.04982	8.1
195.13838	6.4
196.14172	12.6
197.02675	2.6
211.11191	1.3
230.02328	0.5
236.17427	0.6
238.17973	0.8
253.12271	2.8
254.09471	0.9
255.10265	3.7
276.20151	0.5
278.18390	2.3
278.22040	17.7
282.09174	0.8
296.23108	100.0
297.11365	40.4
297.15222	10.6
297.23608	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2276
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03304	1.0
58.85100	0.3
59.00962	0.3
59.01246	5.7
61.00425	0.2
68.21023	0.2
68.38848	0.2
70.24289	0.5
70.24683	0.6
71.01237	1.8
71.76620	0.2
73.02818	0.3
79.78787	0.2
82.13271	0.2
82.30777	0.3
83.04874	0.4
85.02821	0.7
89.02316	0.5
97.06434	0.4
101.02306	1.1
113.02336	0.4
113.09603	2.8
133.04906	0.4
161.04488	0.6
177.12711	0.4
179.14319	0.9
181.12250	0.6
195.13828	18.8
196.14192	0.7
232.04182	0.3
251.23613	0.5
253.09216	0.4
277.21707	17.0
278.22095	1.3
295.10120	0.9
295.22745	100.0
296.23096	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	295.2275
Annotation	Moniliforminol B
Peak:m/z	Relative Intensity
59.01247	15.1
61.62843	0.7
69.78758	4.1
71.00912	0.9
71.01250	4.8
73.02816	1.8
73.44102	0.7
73.78648	0.7
83.01308	0.7
85.02819	1.6
86.01712	0.7
89.02306	1.6
96.43659	0.8
98.50623	0.8
101.02319	4.2
113.02316	1.1
115.09788	0.8
133.05019	2.0
154.77873	0.8
161.04538	1.9
171.04781	0.8
171.32567	0.8
174.18677	0.9
204.62958	0.8
209.15414	30.9
210.15813	1.9
223.16975	21.7
224.17351	1.2
236.13086	0.8
253.09227	0.9
265.21762	2.2
277.21698	47.3
278.21887	3.8
295.10178	2.3
295.22751	100.0
296.23175	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	295.2276
Annotation	(plusmn)12(13)-EpOME
Peak:m/z	Relative Intensity
57.03304	1.0
58.85100	0.3
59.00962	0.3
59.01246	5.7
61.00425	0.2
68.21023	0.2
68.38848	0.2
70.24289	0.5
70.24683	0.6
71.01237	1.8
71.76620	0.2
73.02818	0.3
79.78787	0.2
82.13271	0.2
82.30777	0.3
83.04874	0.4
85.02821	0.7
89.02316	0.5
97.06434	0.4
101.02306	1.1
113.02336	0.4
113.09603	2.8
133.04906	0.4
161.04488	0.6
177.12711	0.4
179.14319	0.9
181.12250	0.6
195.13828	18.8
196.14192	0.7
232.04182	0.3
251.23613	0.5
253.09216	0.4
277.21707	17.0
278.22095	1.3
295.10120	0.9
295.22745	100.0
296.23096	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	295.2276
Annotation	Unknow
Peak:m/z	Relative Intensity
56.79306	1.4
57.03304	1.7
59.01261	2.9
60.47502	1.2
69.24162	1.5
69.24463	14.0
73.41528	1.3
84.46922	1.4
127.11151	1.7
141.12772	1.8
171.10179	60.4
183.10164	2.6
185.11551	1.6
277.21710	71.9
278.22086	6.7
295.22775	100.0
296.23245	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2277
Annotation	9(S)-HODE
Peak:m/z	Relative Intensity
52.11493	0.9
54.30428	0.9
59.01256	4.4
69.34176	1.6
69.34583	6.9
71.01247	0.9
93.31827	0.8
94.31448	0.8
114.09968	1.1
125.09621	1.3
154.12897	1.0
165.32558	1.2
171.10172	50.7
172.10553	1.4
193.37398	0.9
233.22852	0.9
277.21710	68.4
278.22079	6.3
281.43256	0.9
295.22754	100.0
296.23093	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	295.2276
Annotation	Unknow
Peak:m/z	Relative Intensity
54.92173	0.8
57.03307	1.5
59.01250	2.1
66.12910	0.8
69.33646	7.0
71.43282	0.9
79.35552	0.9
99.08014	1.6
107.38355	1.0
113.09593	2.7
129.09090	0.8
148.26614	0.8
179.14371	1.0
181.12285	1.3
183.13887	4.5
195.13821	28.6
196.14195	1.4
214.44400	0.9
277.21716	23.5
278.22028	1.6
295.22769	100.0
296.22983	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	295.2276
Annotation	9(S)-HODE
Peak:m/z	Relative Intensity
50.53244	0.6
57.03331	0.9
59.01240	1.5
59.79169	0.8
60.14505	0.6
69.31925	5.9
76.42982	0.6
93.04295	0.6
96.38918	0.7
98.19831	0.9
113.09592	0.9
116.56750	0.7
123.07925	0.6
125.09635	0.9
140.50040	0.8
171.10181	30.7
171.11679	1.5
172.10550	0.8
195.13878	3.7
221.44115	0.6
250.79936	0.6
277.21701	40.1
278.22083	2.0
295.22766	100.0
296.23129	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	295.2278
Annotation	9(S)-HODE
Peak:m/z	Relative Intensity
51.73463	0.4
59.01252	5.6
71.01241	2.2
71.42331	0.5
73.02820	0.6
85.02825	0.7
87.98801	0.3
89.02328	0.8
101.02319	1.7
105.87425	0.3
113.02290	0.8
119.03286	0.3
133.04926	0.7
151.20105	0.4
161.04465	0.7
161.51205	0.4
235.08084	0.4
249.22208	0.6
253.09241	0.5
260.60742	0.4
265.21814	1.7
275.20282	0.5
277.21689	4.2
293.21249	0.6
295.22760	100.0
296.23053	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2277
Annotation	13(S)-HODE
Peak:m/z	Relative Intensity
59.01240	10.2
71.01250	5.0
73.02774	1.0
76.86948	1.1
80.25160	0.9
85.02811	1.8
89.02335	1.3
96.95868	1.1
98.95460	5.5
98.96207	0.9
99.00768	1.3
101.02305	3.1
113.02332	2.0
119.03355	1.3
127.11089	0.9
131.11153	0.9
133.04935	2.2
141.12755	9.9
155.14305	4.4
161.04495	1.8
161.05899	1.6
187.47649	0.9
195.13718	1.8
229.11900	1.0
249.22153	8.0
250.74376	0.9
253.09201	1.5
277.21652	3.1
290.61166	0.9
295.17471	4.1
295.22760	100.0
296.23111	9.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2275
Annotation	(plusmn)12(13)-EpOME
Peak:m/z	Relative Intensity
54.60522	0.7
57.03311	1.1
59.01231	1.5
59.92976	0.6
62.10622	0.7
65.76912	0.6
69.49835	4.6
72.23559	0.6
96.11767	0.7
96.12404	0.8
97.06415	0.6
98.20544	1.3
111.78575	0.7
113.09611	2.1
136.57211	0.7
177.12724	1.0
179.14355	1.0
188.74417	0.7
195.13815	17.8
196.14317	1.3
277.21719	18.3
278.22113	1.4
288.47723	0.8
295.22757	100.0
296.23059	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	295.2277
Annotation	Unknow
Peak:m/z	Relative Intensity
55.38945	0.4
55.94119	0.5
57.03316	1.4
57.29794	0.5
59.01247	3.1
70.71157	1.3
71.01257	1.3
73.02762	0.5
77.07977	0.5
79.92123	0.4
89.02292	0.5
101.02303	0.8
102.90584	0.5
113.02329	0.5
113.09612	1.7
119.64977	0.4
127.11162	1.0
133.04953	0.7
161.04501	0.7
165.12724	1.6
165.44829	0.5
171.10196	0.9
179.14351	0.7
181.12114	0.6
251.23662	0.5
277.21744	1.5
283.36938	0.5
293.51654	0.5
295.22763	100.0
296.23114	7.2
300.61118	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2275
Annotation	13(S)-HODE
Peak:m/z	Relative Intensity
57.03337	0.7
59.01247	13.9
64.57141	0.8
71.01248	4.3
71.29976	1.1
73.02821	1.4
74.92671	0.7
85.02839	1.3
89.02333	1.6
101.02310	3.3
107.97316	0.7
113.02307	1.2
113.09576	1.2
133.04967	2.9
157.08623	5.6
161.04410	1.8
195.13831	27.2
196.14160	1.9
209.15401	6.7
235.08289	1.1
253.09328	0.9
277.21698	46.2
278.22012	2.7
295.06686	0.9
295.10294	2.3
295.22766	100.0
296.23102	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	295.1912
Annotation	7-O-Demethyl-2,3-dihydro-albocycline
Peak:m/z	Relative Intensity
57.03235	1.1
59.01130	7.3
59.01458	2.2
69.03241	1.2
71.01129	3.2
71.04794	1.1
71.50111	1.2
73.02750	0.7
83.04830	0.9
84.01934	0.8
85.02729	1.3
89.02190	1.2
95.04794	1.1
97.02717	1.9
97.06361	1.6
98.03490	0.8
101.02186	2.7
110.03500	1.0
113.02229	1.3
116.66282	0.6
123.04286	0.9
123.07926	1.1
125.09461	2.8
133.04880	1.7
149.23096	0.8
151.11166	7.3
152.08279	0.7
153.12582	1.8
161.04376	1.1
163.11211	4.9
165.12688	1.1
171.10056	0.7
177.12645	1.1
179.14276	5.3
181.12239	3.9
194.09361	0.9
197.11658	2.2
197.15427	0.8
205.15736	0.9
209.11743	1.1
223.00400	0.7
223.13324	6.9
223.93094	0.6
225.11386	0.8
233.16951	0.8
233.19048	8.5
234.19196	0.7
251.16438	2.1
259.16968	3.6
277.18060	100.0
278.18365	7.3
295.10217	2.7
295.19147	74.4
295.22604	9.2
296.19418	6.2
307.13025	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1914
Annotation	7-O-Demethyl-2,3-dihydro-albocycline
Peak:m/z	Relative Intensity
57.03291	0.9
57.25859	0.4
59.01253	4.3
70.83517	1.5
71.01241	1.6
81.03344	0.9
83.04897	2.9
85.06454	0.7
87.66287	0.5
97.02828	0.7
97.06487	1.0
99.08031	3.5
101.02322	0.7
101.05968	2.7
111.04433	1.0
111.08014	0.7
112.05215	0.6
123.00789	0.7
125.09618	0.9
127.07526	3.3
133.03090	0.5
137.09589	1.0
139.11176	0.6
151.11191	4.1
161.04413	0.7
163.11201	0.7
165.12764	2.0
166.09831	0.5
167.10722	1.5
167.14348	2.3
175.11086	0.9
179.14360	0.8
181.12276	4.9
183.13857	1.8
190.13828	0.6
193.12306	2.5
193.15952	0.9
195.13838	1.7
211.13326	4.1
214.00644	0.5
221.15413	2.5
223.20604	0.6
233.19119	5.8
233.26443	0.5
240.13657	1.7
247.90944	0.5
251.20215	1.3
259.17041	3.0
267.19684	1.9
277.18073	53.4
278.18378	4.7
295.19168	100.0
295.22665	13.5
296.19568	8.0
296.22873	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1913
Annotation	7-O-Demethyl-2,3-dihydro-albocycline
Peak:m/z	Relative Intensity
53.32016	1.4
57.03314	2.6
59.01245	28.1
61.98734	1.6
70.02154	5.8
71.01248	9.3
71.04892	2.0
73.02810	2.6
78.65981	1.3
83.04885	1.7
85.02822	4.2
89.02310	2.2
93.82235	1.2
96.95875	1.5
97.02807	1.3
97.06454	5.2
101.02313	8.1
111.08038	1.6
113.02333	2.2
113.09585	4.9
114.09888	2.4
133.04951	5.9
141.09090	1.3
143.35854	1.4
143.83318	1.2
151.11159	2.5
153.12729	4.3
161.04401	4.5
165.12776	3.2
167.10608	2.2
179.10698	1.6
179.14333	2.4
181.12248	3.9
195.13817	3.2
197.11714	5.3
199.13364	1.5
205.55157	1.3
207.13824	2.5
211.13336	2.0
215.12914	1.3
223.13400	2.0
233.19054	6.4
235.08162	1.7
251.20235	1.7
253.09145	3.2
259.17035	2.0
267.19556	2.4
275.81970	1.3
277.18076	48.2
277.21326	2.6
278.18314	4.5
295.10269	3.0
295.19055	100.0
295.22516	63.3
296.19412	8.2
296.22986	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	295.1398
Annotation	Unknow
Peak:m/z	Relative Intensity
56.14808	1.3
56.29439	1.3
59.01252	100.0
71.01249	6.7
71.29133	2.8
73.02834	2.5
81.18355	1.3
85.02838	4.1
89.02341	2.1
90.79497	1.4
101.02340	5.6
105.00150	1.3
113.02362	2.0
119.03402	1.6
133.04965	3.2
152.96638	1.5
161.04482	3.9
224.77946	1.4
235.11827	2.8
295.10226	2.8
295.22852	1.7
309.92627	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	295.1913
Annotation	7-O-Demethyl-2,3-dihydro-albocycline
Peak:m/z	Relative Intensity
51.72181	1.3
57.03315	1.9
57.48785	1.4
58.00454	1.9
59.01248	38.1
61.98702	1.6
69.03349	1.8
71.01248	11.8
71.51173	2.4
73.02830	5.1
85.02825	4.8
89.02322	3.8
95.04908	2.9
96.95874	2.2
97.06459	32.7
101.02307	8.7
113.02301	4.8
113.05965	2.6
119.03409	3.5
133.04964	6.1
137.09702	1.6
141.09120	1.8
151.11171	4.4
153.12755	2.4
161.04460	4.0
169.12253	9.5
179.14334	1.5
181.12253	4.2
183.13704	1.7
189.98747	1.5
193.12228	1.9
197.11765	100.0
198.12148	4.1
199.13344	3.2
211.13342	13.7
213.14856	7.6
226.12019	2.3
227.12793	4.6
233.19060	4.4
235.08179	2.2
235.13109	2.2
249.18602	6.6
251.16524	4.7
253.09183	2.0
259.17004	3.4
277.18060	41.2
278.18481	3.4
295.10132	4.7
295.15683	2.7
295.19092	46.9
295.22528	22.6
296.19547	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	294.1709
Annotation	Serratanidine
Peak:m/z	Relative Intensity
57.03303	0.9
59.01254	9.3
61.98697	1.6
66.03347	1.0
68.32143	0.8
70.55812	2.2
71.01254	4.9
73.02827	1.0
83.04884	1.4
85.02811	3.5
85.06459	2.5
89.02314	2.0
94.07157	0.7
96.95865	1.0
101.02328	1.9
113.02319	1.6
124.09645	0.7
127.22402	0.7
133.04906	0.9
134.09673	2.3
143.52936	0.7
146.09673	2.1
148.11218	0.9
161.04440	2.3
162.12811	8.4
164.14359	17.3
165.14693	0.9
184.14523	0.7
190.12289	30.1
191.12628	1.6
206.15422	2.2
208.13370	33.0
209.13733	1.7
232.17020	44.5
233.17340	2.5
250.18153	2.1
276.16022	19.0
277.16159	1.1
294.17093	100.0
294.21356	5.2
295.06094	0.9
295.10159	1.9
295.17343	7.5
295.22650	4.9
296.81766	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.0981
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	5.4
56.85406	0.3
57.03318	5.1
58.00468	0.9
59.01245	13.4
68.01269	1.7
68.99691	0.5
69.03310	1.4
71.01249	100.0
71.50884	0.5
72.01585	1.4
72.46260	0.3
72.99168	2.1
73.02814	27.3
74.03145	0.4
75.00738	2.0
78.48820	0.3
79.50510	0.3
83.01254	9.8
84.02030	0.7
85.02818	40.5
85.08449	0.3
86.03158	0.7
87.00745	2.7
89.02305	5.3
94.03802	0.4
94.36938	0.3
95.01254	7.4
97.02816	2.1
99.00097	0.6
99.00749	13.0
101.02316	46.7
102.02645	1.0
113.02323	42.5
114.02656	0.7
115.03870	0.4
119.04881	0.6
120.22761	0.4
121.02820	0.4
124.12145	0.3
125.02318	2.4
129.01823	1.2
131.03664	6.0
135.04398	0.7
139.00273	0.4
143.03401	4.8
147.04385	1.0
153.16508	0.3
159.02896	10.8
159.04257	0.8
161.04456	95.1
162.04802	3.0
175.03896	1.5
183.36061	0.3
184.43388	0.4
188.05568	0.7
189.05490	1.0
190.81493	0.3
205.03482	5.3
231.37495	0.4
294.09436	0.4
294.21436	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.0985
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01745	6.6
55.58578	0.9
57.03317	7.0
59.01255	15.8
68.01297	0.9
69.87807	0.9
70.87731	2.2
71.01257	100.0
72.01589	1.2
73.02821	29.2
77.78326	0.9
83.01267	9.9
85.02827	39.5
87.00745	2.4
89.02322	6.6
95.01266	7.0
97.02845	1.7
98.19955	1.1
99.00761	10.8
101.02326	44.5
113.02336	43.8
124.43716	1.0
125.02298	2.3
131.03653	4.8
133.01324	1.3
143.03381	4.2
159.02888	10.6
161.04471	91.7
162.04755	1.9
175.03886	1.6
189.12808	1.4
205.03522	3.6
251.12788	1.4
294.27344	1.1
308.08200	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.0984
Annotation	Unknow
Peak:m/z	Relative Intensity
54.59432	0.6
55.01757	5.8
56.18631	0.5
57.03322	4.5
58.00452	1.0
59.01247	15.8
68.01303	0.7
68.99692	0.6
69.03320	0.8
71.01250	100.0
71.49747	0.8
72.01582	1.0
72.99180	1.6
73.02814	28.2
74.03152	0.6
75.00761	1.7
83.01257	11.4
85.02821	44.5
86.03157	1.2
87.00743	2.6
89.02316	5.0
95.01262	7.8
97.02826	2.4
99.00748	12.0
101.02317	45.3
102.02702	0.7
113.02326	41.5
125.02301	2.0
129.01833	2.0
131.03638	4.5
133.04875	0.7
143.03368	4.7
147.04439	0.8
159.02896	11.5
161.04459	81.1
162.04800	2.1
175.03912	1.1
182.50005	0.6
205.03474	3.1
228.51834	0.7
238.71060	0.7
250.42305	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2487
Annotation	METHYL LINOLEATE
Peak:m/z	Relative Intensity
55.86534	1.3
57.03316	4.1
58.00467	24.0
59.01247	7.0
69.03316	3.5
71.01249	18.4
71.52348	1.8
72.98800	1.2
72.99211	2.1
73.02817	100.0
81.03307	1.5
83.04894	3.5
84.02044	4.1
84.67401	1.3
85.02816	11.2
86.46752	1.3
89.02308	3.3
91.96874	1.2
95.04905	4.2
96.95892	1.7
97.06457	8.2
101.02326	2.1
107.04890	2.6
109.06457	2.4
111.08027	6.1
113.02348	2.1
113.05959	1.5
120.75976	1.4
125.05980	14.8
125.09589	1.6
127.07504	2.3
130.03094	1.4
139.07552	10.0
155.14323	6.1
161.04443	4.1
169.15897	4.2
192.11272	1.4
211.28888	1.5
220.14590	2.5
221.15419	4.3
236.10493	4.2
257.22678	6.4
261.22247	1.8
263.23788	27.2
264.24149	2.6
265.25391	14.3
275.23746	33.3
276.24066	4.5
291.23416	6.5
293.08826	4.3
293.17914	2.0
293.21237	34.8
293.24841	84.8
294.21603	3.6
294.25165	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	294.0442
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13052	0.4
51.48263	0.5
54.16936	0.5
59.01237	1.8
61.98688	1.4
65.50634	0.5
70.54611	1.8
71.01238	1.3
77.44926	0.5
83.59164	0.5
98.76534	0.5
101.02290	1.2
113.02327	1.4
133.04965	0.6
146.05962	0.6
147.01384	24.1
160.02165	3.0
161.04449	1.4
162.03737	49.7
163.02856	0.5
163.04001	2.8
172.03949	1.8
180.11400	0.5
188.01672	2.8
193.87013	0.5
206.02742	100.0
207.03084	5.6
294.04462	1.8
294.93066	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2487
Annotation	Unknow
Peak:m/z	Relative Intensity
55.86534	1.3
57.03316	4.1
58.00467	24.0
59.01247	7.0
69.03316	3.5
71.01249	18.4
71.52348	1.8
72.98800	1.2
72.99211	2.1
73.02817	100.0
81.03307	1.5
83.04894	3.5
84.02044	4.1
84.67401	1.3
85.02816	11.2
86.46752	1.3
89.02308	3.3
91.96874	1.2
95.04905	4.2
96.95892	1.7
97.06457	8.2
101.02326	2.1
107.04890	2.6
109.06457	2.4
111.08027	6.1
113.02348	2.1
113.05959	1.5
120.75976	1.4
125.05980	14.8
125.09589	1.6
127.07504	2.3
130.03094	1.4
139.07552	10.0
155.14323	6.1
161.04443	4.1
169.15897	4.2
192.11272	1.4
211.28888	1.5
220.14590	2.5
221.15419	4.3
236.10493	4.2
257.22678	6.4
261.22247	1.8
263.23788	27.2
264.24149	2.6
265.25391	14.3
275.23746	33.3
276.24066	4.5
291.23416	6.5
293.08826	4.3
293.17914	2.0
293.21237	34.8
293.24841	84.8
294.21603	3.6
294.25165	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37774	0.7
57.03321	1.1
59.01268	0.8
60.37024	0.6
69.21204	5.3
95.08012	0.6
97.06458	0.8
123.08038	0.9
125.09570	3.6
127.07554	0.7
141.12758	1.1
149.09590	1.4
168.31786	0.6
183.13835	1.4
185.11777	8.1
195.13783	1.2
197.11771	1.7
207.82254	0.6
223.13382	0.7
249.22165	0.9
262.24744	0.6
265.21768	1.7
275.20074	2.6
293.21213	100.0
294.21588	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2488
Annotation	Sterculic acid
Peak:m/z	Relative Intensity
66.33646	2.5
71.01222	3.5
96.95895	54.7
113.93360	2.5
148.68309	2.4
213.68343	2.5
221.15344	3.4
236.10454	5.1
245.61105	2.5
283.75717	2.9
293.08826	4.3
293.18140	40.6
293.21225	16.4
293.24805	100.0
294.18274	4.9
294.25107	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	293.2122
Annotation	13-OxoODE
Peak:m/z	Relative Intensity
57.03299	1.2
59.01237	1.1
66.17457	0.4
66.23714	0.6
67.45490	0.4
69.03285	0.5
69.35482	3.8
71.01243	1.6
74.89474	0.4
82.99590	0.4
89.02312	0.7
95.69667	0.5
97.06461	1.0
113.09618	0.5
123.08015	1.1
125.09599	4.8
141.12727	1.4
149.09642	2.3
161.04425	1.0
185.11748	9.0
197.11681	2.8
209.92171	0.5
220.14723	0.5
221.15446	1.1
236.10471	0.6
249.22154	0.8
275.20099	0.6
293.08719	1.6
293.21198	100.0
294.21539	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	293.2119
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	3.0
59.01236	1.4
72.82855	0.5
98.20598	1.1
113.09608	15.5
114.09946	0.5
139.11195	1.2
167.10646	2.1
171.10170	1.1
177.12807	0.7
179.10667	1.6
195.13797	2.4
229.24713	0.5
238.51979	0.5
249.22169	1.9
274.65579	0.5
275.20093	1.8
293.21201	100.0
294.21524	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	Unknow
Peak:m/z	Relative Intensity
54.33844	0.4
57.03316	2.3
59.01252	6.8
60.31659	0.4
61.98695	1.8
66.29724	0.4
71.01249	5.0
71.52110	0.7
72.99187	0.4
73.02821	1.0
83.01247	0.6
85.02821	2.3
88.67996	0.4
89.02319	4.5
97.02790	0.7
97.06458	1.2
99.00787	0.5
101.02326	1.3
113.02326	1.7
113.09612	4.1
123.08024	0.8
123.69682	0.5
125.09617	4.4
131.03465	1.1
133.44974	0.5
139.11072	0.6
141.12752	0.5
149.09607	1.4
151.07596	0.5
156.13855	8.3
157.14198	9.4
161.04459	4.6
167.10770	0.8
177.09216	0.5
185.11754	7.6
192.11537	0.7
195.13741	1.0
197.11748	1.9
200.12784	0.6
205.12378	0.7
220.14594	4.2
221.15401	9.3
236.10451	7.0
249.22214	1.2
275.20175	1.4
293.08914	5.4
293.21216	100.0
294.21576	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	293.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03317	0.9
58.09531	0.3
59.01248	4.0
61.98696	0.7
62.12221	0.3
69.03325	0.4
70.70654	0.6
70.70985	0.5
71.01259	2.4
72.99192	0.5
73.02823	0.8
83.01266	0.4
83.04899	0.4
85.02801	0.9
89.02310	1.9
96.95860	0.5
97.02835	0.7
101.02304	0.7
111.00680	0.4
111.08036	0.4
113.02279	0.5
113.09575	1.2
117.03310	0.4
123.08021	0.6
125.09520	0.4
131.03389	0.6
136.08804	0.8
139.11179	1.0
151.11235	1.9
153.09204	0.4
161.04475	1.1
165.12744	0.5
167.10724	0.4
171.10197	0.4
177.12769	0.5
179.14363	0.6
181.12288	0.6
185.11734	0.6
192.11526	0.7
193.12254	0.7
193.15878	2.1
195.13834	6.1
205.12286	0.8
213.64142	0.4
220.14581	2.0
221.15404	4.0
222.15770	0.5
223.13315	4.4
228.13678	0.5
236.10474	2.2
249.18518	1.0
249.22148	1.1
256.13089	1.4
265.21707	0.8
275.20145	5.2
276.20462	0.6
293.08859	3.1
293.21201	100.0
294.21539	9.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42427	0.9
54.84023	1.0
59.01234	2.7
59.55920	1.1
61.10730	1.0
70.11986	3.1
70.12379	2.2
98.20467	1.2
121.10113	38.9
122.10461	1.5
125.09592	1.4
171.10176	74.3
172.10512	3.4
177.16472	1.6
183.13828	1.1
185.11708	3.5
197.11758	1.2
231.21086	3.5
251.47095	1.1
275.20142	100.0
276.20493	9.1
293.21207	69.9
294.21558	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	293.2121
Annotation	9-OxoODE
Peak:m/z	Relative Intensity
59.01240	7.1
69.79416	6.9
71.01242	5.4
73.02809	1.4
79.43982	1.4
79.95619	3.4
85.02844	2.1
89.02322	4.0
93.98205	1.3
96.95886	100.0
99.08028	37.9
112.90960	1.4
131.03426	1.6
161.04475	1.9
175.11279	1.3
193.12291	16.0
211.34140	1.2
220.14638	3.7
221.15457	8.3
236.10484	3.4
265.21613	2.5
275.19992	2.9
293.08725	6.0
293.17877	65.3
293.21216	80.7
294.18243	5.0
294.21579	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03317	1.4
59.01242	3.4
60.97800	0.7
71.01263	1.7
71.49776	0.7
83.04897	1.1
97.06492	1.1
123.08073	0.9
136.08810	0.8
139.11205	0.8
151.11179	1.7
153.12730	1.1
169.12267	2.6
197.11758	29.6
198.12082	1.8
221.15503	1.8
222.18587	2.6
228.10622	0.8
231.21175	1.0
236.10619	1.2
249.18715	0.8
249.22256	2.1
250.21729	3.3
258.35162	0.8
275.17313	0.8
275.20129	17.8
276.20456	1.9
293.08502	1.7
293.21216	100.0
294.21448	10.2
309.60419	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1758
Annotation	Nordihydrocapsiate
Peak:m/z	Relative Intensity
59.01241	2.0
63.67078	0.8
70.98347	1.9
71.01254	7.5
80.25703	0.6
103.77756	0.7
123.48560	0.7
126.71324	0.8
171.17418	0.8
177.09088	5.4
192.11432	6.9
205.12273	5.2
207.13748	1.4
218.09346	1.7
220.14613	42.6
221.15402	100.0
222.15730	7.1
223.99544	0.8
231.17590	0.8
235.13350	0.9
236.10498	74.6
237.10910	4.8
275.19983	1.2
293.17551	8.2
293.21124	2.7
294.17950	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
55.78772	1.3
59.01220	2.0
60.56159	1.0
71.01234	1.3
71.23146	2.2
74.72841	1.0
99.00726	1.2
169.06299	1.1
178.48763	1.1
178.56862	1.2
195.13879	12.9
196.14386	2.4
205.12282	1.2
218.47104	1.2
223.13379	11.8
228.13643	1.9
250.19040	1.1
256.13141	4.5
265.21613	1.2
275.20081	8.4
293.21228	100.0
294.21695	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	293.1242
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00450	2.1
59.01246	58.1
64.63026	2.2
71.01255	33.2
71.42057	2.9
72.99180	3.3
73.02813	2.6
74.84925	2.1
83.01260	4.6
85.02825	13.5
85.06451	25.2
87.00743	3.7
89.02314	34.6
95.01233	2.9
96.95852	3.9
101.02316	16.9
113.02312	11.5
113.05940	8.0
115.07520	2.6
119.03380	7.9
127.07502	3.0
131.07034	89.2
132.07358	4.8
161.04564	2.7
293.08948	6.8
293.12387	100.0
293.21194	5.5
294.12656	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.137
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12906	1.2
57.03322	1.2
59.01251	26.9
61.98701	4.0
63.00218	1.2
69.03320	2.0
69.40231	9.4
71.01258	11.6
73.02797	2.7
80.22783	1.2
83.01283	1.8
85.02828	5.7
89.02305	7.0
90.22544	1.3
97.02814	1.5
98.63728	1.1
101.02311	1.9
113.02348	3.2
120.62527	1.3
121.02825	1.6
128.85870	1.1
131.03380	3.1
141.10791	1.2
161.04449	7.8
163.41797	1.3
171.10181	1.2
183.13840	8.6
184.14206	1.6
193.12236	1.7
196.44534	1.2
202.97655	1.8
211.13321	100.0
212.13672	5.5
221.15376	2.8
233.11597	15.0
234.78387	1.2
236.10498	2.3
275.19943	2.1
293.08820	13.7
293.13882	6.1
293.21173	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	293.1243
Annotation	Unknow
Peak:m/z	Relative Intensity
58.48613	4.2
59.01249	35.2
59.40044	4.1
66.36328	3.9
69.86178	18.8
69.86590	7.2
71.01237	25.6
72.99203	4.1
85.02807	11.2
85.06463	12.0
89.02316	25.7
96.27048	5.2
101.02322	14.9
113.02295	9.3
113.05978	6.2
113.52368	4.1
119.03368	8.1
131.07013	47.8
157.40065	4.5
161.04445	5.6
209.76421	4.5
238.19974	4.8
293.08823	22.0
293.12405	100.0
293.15445	6.4
293.21277	9.7
294.12744	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	293.1244
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01766	0.5
57.03321	0.8
58.00465	0.7
59.01250	19.6
70.51639	1.1
71.01252	10.5
72.99174	0.9
73.02836	0.5
82.39239	0.3
83.01254	1.1
85.02821	5.4
85.06464	8.2
85.06948	0.7
87.00739	0.9
89.02321	11.9
95.01270	0.8
100.03416	0.4
100.57828	0.3
101.02325	9.4
113.02336	4.2
113.05977	1.6
115.07555	0.9
119.02572	0.6
119.03386	5.5
127.07506	0.9
131.07036	40.8
132.07391	1.5
136.91847	0.4
140.73497	0.3
143.03471	0.5
145.02838	0.8
147.02911	2.5
157.51773	0.5
161.04507	0.4
173.08099	1.2
179.05540	1.1
293.12427	100.0
294.12784	6.8
294.15677	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1242
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01761	1.0
57.03308	1.4
58.00457	2.1
59.01247	41.3
60.62463	0.6
62.16053	0.5
63.26510	0.7
69.64426	0.6
70.66508	0.7
71.00851	1.2
71.01247	21.4
71.07049	1.3
72.01521	0.7
72.99180	1.7
73.02826	1.8
83.01260	1.8
85.02824	8.3
85.06453	18.9
87.00744	1.0
89.02309	16.9
90.13908	0.6
90.82085	0.7
95.01247	0.9
101.02321	12.5
103.12542	0.6
113.02321	6.2
113.05954	2.4
115.07533	1.7
119.03393	6.6
127.07531	1.3
131.03397	1.0
131.07030	54.9
132.07379	2.3
144.02902	0.8
145.02817	1.3
147.02917	0.9
148.06210	0.8
161.04459	1.3
173.08087	1.9
179.05531	1.0
293.12405	100.0
294.12692	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	293.0668
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03317	4.5
59.01256	6.1
71.01245	3.7
71.50636	1.8
73.02819	1.5
80.96405	1.5
82.02842	2.2
84.04417	3.5
85.02819	28.3
89.02323	3.1
100.03907	3.2
101.01715	1.9
101.02329	21.2
103.03894	5.3
119.03560	1.5
119.04917	33.0
129.01825	100.0
130.02161	2.4
147.02892	69.6
148.03178	1.6
161.04442	2.6
163.03922	51.2
164.04292	3.5
173.52159	1.0
177.46280	1.3
221.15338	1.5
233.10031	3.5
251.11195	6.1
265.38678	1.3
293.08804	3.6
293.21198	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.0666
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66355	0.6
57.03315	2.5
59.01248	3.2
61.98695	0.7
67.08415	0.6
70.90025	1.3
71.01261	4.3
72.99199	0.6
73.02810	1.8
74.59021	0.6
75.04405	0.8
78.28659	0.6
85.02823	41.5
87.22750	0.6
89.02332	1.4
93.03339	0.8
101.02322	30.4
102.02663	0.6
103.03883	1.5
113.02305	0.9
117.03312	1.4
119.04916	53.2
120.05243	2.8
129.01828	100.0
130.02193	2.2
145.94861	0.6
147.02895	22.3
161.04492	2.8
163.03918	80.4
164.04291	2.7
168.49655	0.5
170.06567	0.7
280.91949	0.5
293.04599	1.5
293.08850	2.9
293.16159	1.4
293.21262	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	292.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03305	0.9
58.02857	0.9
58.86113	0.5
59.01243	3.7
61.98696	0.6
71.01261	2.4
71.49013	0.9
73.02811	0.5
73.63193	0.4
89.02321	1.8
101.02348	0.6
108.04443	0.9
113.09616	0.9
121.02807	0.7
125.09605	0.9
141.12714	0.6
149.09583	0.7
156.13838	100.0
157.14148	4.0
161.04417	1.2
168.13835	0.5
185.11708	2.3
197.11862	0.5
200.12849	6.2
201.13147	0.6
205.96074	0.9
215.39323	0.5
220.14644	1.8
221.15402	5.2
236.10461	3.6
240.72862	0.5
246.99052	0.5
287.01865	0.5
292.19931	3.6
293.08868	2.9
293.21201	29.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	292.0826
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02825	2.5
55.15000	2.4
55.19011	2.1
59.01250	16.8
59.08214	2.2
59.12083	2.5
70.24474	9.3
70.24797	1.8
71.01242	10.1
72.91978	2.1
83.01252	3.0
85.02818	8.1
85.06467	4.8
89.02319	12.6
89.51822	2.3
91.37895	2.1
101.02313	7.4
102.05486	37.6
113.02326	6.0
117.03328	4.6
119.03497	5.2
119.04913	99.1
120.05270	4.4
128.03415	44.8
131.07019	29.5
145.02849	38.8
146.03583	3.8
146.04486	100.0
148.35413	2.4
163.03918	19.7
172.02399	2.8
179.82231	2.1
202.08669	6.2
204.10194	3.7
230.08234	3.8
248.09186	5.1
274.07095	10.1
292.08286	29.2
293.08963	5.9
293.12360	34.7
307.09317	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	292.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44039	0.4
58.02837	0.8
59.01242	2.2
61.98702	1.1
63.67924	0.4
69.86349	1.6
71.01243	2.5
78.52979	0.3
84.46697	0.3
85.02803	1.0
89.02318	1.8
97.02827	0.5
101.02332	0.5
113.02345	0.4
129.72575	0.4
131.03384	0.6
140.18204	0.4
156.13844	100.0
157.14189	4.1
161.04460	0.8
174.07623	0.4
177.96632	0.3
192.11618	0.5
200.12851	6.1
205.12233	0.4
205.96230	0.8
220.14636	2.9
221.15437	5.4
236.10481	3.4
292.19965	5.6
293.08783	3.4
293.17746	0.7
293.21133	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	291.233
Annotation	Grevillol
Peak:m/z	Relative Intensity
56.82961	0.4
58.33574	0.4
59.01231	0.8
71.01255	0.7
71.51073	0.6
149.00819	0.5
172.74417	0.4
202.39470	0.4
291.09079	5.7
291.23276	100.0
292.09073	1.2
292.23645	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	291.2329
Annotation	Unknow
Peak:m/z	Relative Intensity
54.60013	1.0
57.03307	2.1
58.00464	7.7
59.01226	2.0
60.65068	0.8
69.03297	1.4
71.01244	3.4
71.04852	1.4
73.02814	35.3
82.23666	0.8
83.04887	1.4
84.02037	6.7
85.02813	3.4
87.04353	1.1
94.04002	0.9
95.04884	1.7
97.06464	4.3
107.04921	1.3
109.06473	1.6
111.08009	3.9
113.05940	2.1
125.05980	5.1
125.09605	1.1
127.07498	1.6
138.99123	0.9
139.07518	5.4
139.11182	1.3
151.11185	1.0
153.09116	1.0
153.12737	1.7
155.14287	1.8
164.83150	0.9
167.14331	1.5
177.89294	0.9
181.15823	1.1
205.19514	1.9
209.15417	1.1
255.21263	4.6
255.23376	0.9
261.22220	5.1
263.23721	12.3
271.20691	1.1
273.22202	23.2
274.22549	2.6
289.21710	1.2
291.08990	6.6
291.19678	11.1
291.23236	100.0
292.20224	2.0
292.23575	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	291.233
Annotation	Androstan-3alpha,17beta-diol
Peak:m/z	Relative Intensity
52.38459	0.7
54.32889	0.8
55.11243	0.7
55.84730	0.8
57.03306	1.7
58.00468	9.0
58.76611	0.8
59.01240	3.1
65.66992	0.8
69.03302	2.0
69.48274	1.7
69.48691	5.2
71.01238	2.5
71.04878	1.0
73.02817	31.7
79.46424	0.8
83.04884	2.9
84.02044	7.6
85.02804	2.5
90.27719	0.8
95.04911	2.5
97.06480	5.3
100.50648	0.8
107.04883	1.2
109.06475	1.9
111.08035	2.8
113.05920	0.9
115.07494	0.9
121.02843	2.3
125.06002	4.7
125.09605	1.0
127.07493	1.5
127.11121	1.5
139.07527	4.6
139.11172	1.1
153.12695	0.9
155.14252	2.6
165.12700	1.2
167.10669	1.0
167.14287	1.2
169.15926	1.0
179.56140	0.9
195.13802	0.9
195.34708	0.9
203.80035	0.9
205.19522	1.4
218.01047	0.9
221.36691	0.9
245.16762	0.9
249.10471	0.8
255.21152	3.5
261.22281	5.5
263.23792	9.9
264.24078	1.3
273.22235	24.6
274.22565	1.9
289.21805	1.3
291.19659	13.5
291.23248	100.0
292.20230	1.6
292.23611	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	291.1965
Annotation	13-epi-12-oxo Phytodienoic Acid
Peak:m/z	Relative Intensity
57.79828	0.6
59.01249	0.6
61.99960	0.5
69.19491	5.1
73.02817	48.9
80.40778	0.5
83.28784	0.5
111.07928	0.5
132.32439	0.5
160.97609	0.5
165.12769	1.1
185.11789	0.8
185.13739	0.6
198.77332	0.5
247.20692	0.8
291.19653	100.0
292.19992	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	291.1964
Annotation	12-OPDA
Peak:m/z	Relative Intensity
71.07433	0.9
77.40221	0.6
93.10074	0.5
106.06509	0.8
148.08794	1.0
150.10382	0.7
151.11174	0.6
161.34265	0.5
165.12762	12.9
185.29375	0.5
194.96109	0.7
210.35782	0.6
247.20615	6.7
255.45837	0.5
273.18567	4.0
291.19659	100.0
292.20020	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	291.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	2.4
58.19387	0.5
59.01261	3.3
69.38829	0.6
71.01287	0.5
83.04891	1.2
93.03360	0.5
95.04900	1.2
109.06479	0.9
111.08036	15.7
112.08362	0.9
113.09534	0.6
135.11673	0.7
137.09584	0.9
142.38319	0.5
149.09549	0.8
167.10664	2.8
177.09184	0.5
177.12723	3.0
179.10690	2.4
195.13824	9.6
203.14432	0.5
247.20670	3.2
254.63115	0.6
270.26941	0.6
273.18564	1.8
291.19653	100.0
292.16879	0.9
292.19980	9.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1964
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03304	3.5
59.01213	0.8
70.19557	3.5
83.04876	1.2
93.07000	0.9
97.06432	1.5
98.19789	1.0
111.08022	1.3
121.10118	12.0
125.09610	7.0
143.14897	0.8
185.11760	12.5
195.13814	0.9
197.11765	3.2
209.11877	1.0
211.13364	1.3
245.90518	0.9
247.20581	1.0
249.67719	0.9
263.20520	0.9
273.18658	4.6
285.22314	0.9
291.19647	100.0
292.19965	8.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1966
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
55.51637	3.6
59.01241	11.0
64.30037	3.6
64.71229	3.4
65.81520	4.0
67.20002	3.5
69.40273	12.9
69.40701	14.0
71.01270	4.3
73.02813	12.8
74.88874	3.5
77.59683	3.6
94.68710	3.7
97.06460	67.9
97.07050	6.8
121.02816	10.0
160.14268	4.1
165.12671	6.1
193.12291	23.4
211.13345	53.8
270.94043	4.6
291.19687	100.0
292.20078	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	291.1965
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72178	0.4
57.03312	1.8
59.01247	1.0
69.27988	4.0
83.68048	0.4
85.40001	0.4
93.06992	1.3
95.04954	0.5
97.06440	1.1
98.19780	0.7
111.08061	2.5
113.09588	0.4
121.10113	10.7
123.08018	1.1
125.09614	5.7
128.36214	0.4
135.36790	0.4
141.12752	0.9
147.08031	0.5
167.10718	0.6
171.10146	0.7
177.12749	0.7
185.11746	11.7
186.12106	0.5
195.13809	2.1
197.11737	2.8
209.11743	1.3
211.13315	1.8
223.13368	0.9
247.13383	0.5
247.20558	1.6
263.16425	0.7
269.02094	0.4
273.18637	1.6
289.18094	0.6
291.19650	100.0
292.16556	0.6
292.19952	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	291.1965
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	1.4
59.01239	1.8
69.03316	0.3
71.01245	0.3
71.04888	0.4
71.42036	0.4
83.04895	0.7
93.03336	0.4
95.04910	0.3
97.06446	0.7
106.04112	0.3
107.04900	0.7
109.06475	0.4
111.08041	2.0
119.04931	0.5
121.02824	0.6
121.10111	0.6
123.08078	0.4
125.09619	1.9
127.07500	0.4
127.11151	0.3
137.09607	0.3
141.21452	0.2
151.11145	0.9
153.09233	0.2
155.10585	0.3
163.11226	0.4
165.12740	4.5
167.10617	0.3
167.14357	0.3
177.12733	0.3
179.14326	0.5
181.12308	1.0
185.11731	0.3
191.10849	0.3
191.14336	0.5
193.12308	0.3
195.13802	0.8
203.17946	0.6
209.11783	0.4
217.15915	1.0
221.15340	0.3
247.17015	2.0
247.20622	7.5
248.21085	0.6
249.49702	0.3
250.96523	0.3
263.20132	2.6
264.20465	0.3
273.18610	5.4
274.18979	0.2
280.15256	0.2
291.19641	100.0
292.19968	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	289.1808
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
56.66183	0.5
57.03314	1.3
59.01245	2.1
60.66769	0.6
65.03831	1.6
71.01243	0.6
71.50502	1.0
97.06461	1.2
99.47888	0.5
106.04112	0.9
109.06460	1.3
119.08550	83.4
120.08894	2.5
123.08045	1.6
125.09612	15.6
145.06494	1.0
160.08867	4.2
187.09599	0.6
187.11192	0.7
222.38818	0.5
227.17995	1.0
233.15422	20.9
234.15741	2.0
245.19032	2.1
271.17010	2.1
283.38663	0.6
289.18079	100.0
290.18423	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	289.1809
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37856	0.3
56.90661	0.3
57.03321	0.6
59.01242	1.3
71.01241	0.4
71.04887	1.4
79.58340	0.4
83.04922	0.5
85.02889	0.4
91.05410	1.2
93.06976	1.2
97.06485	1.9
102.20212	0.4
119.08553	100.0
120.08878	4.2
123.08035	0.9
125.09613	12.6
126.09946	0.4
175.11238	0.6
185.11707	1.3
187.09741	0.5
189.16486	0.6
191.14392	0.4
197.11769	0.4
205.12238	0.5
233.15410	8.9
234.15744	0.7
245.19054	2.0
247.16977	2.6
271.17062	4.3
289.18085	70.6
290.18439	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	289.0929
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03313	14.0
59.01234	5.0
61.98709	2.2
70.65598	6.3
71.01240	4.1
72.99185	12.3
78.29438	1.8
83.01257	9.4
84.02029	7.6
85.02824	100.0
86.03130	2.1
99.08005	2.4
109.02816	2.1
111.00774	12.5
111.81004	1.8
115.07543	34.8
124.04019	1.8
128.03401	3.2
129.01840	42.9
135.08035	1.9
137.09612	23.7
147.02916	9.7
155.10670	11.7
165.09109	2.5
173.00786	3.5
174.40688	1.8
183.08664	4.0
183.10193	53.6
184.10559	4.1
184.97586	2.5
202.98657	3.6
209.08073	2.2
253.07127	13.4
271.08173	6.0
289.09302	7.4
302.69217	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	289.0831
Annotation	N-Malonyltryptophan
Peak:m/z	Relative Intensity
52.74294	0.9
59.01244	2.2
71.01252	11.1
71.29482	1.4
85.02818	1.9
88.03910	100.0
89.04219	1.0
90.93479	0.8
95.91534	0.8
114.01851	3.9
115.00242	21.1
130.06516	2.4
132.02917	61.0
133.03215	1.3
146.05971	6.1
156.04456	7.7
173.07132	13.3
174.05496	16.8
175.05867	1.9
245.09229	7.8
271.07361	0.9
289.08279	35.9
290.08490	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	288.1603
Annotation	Mesembrine
Peak:m/z	Relative Intensity
54.13952	0.3
59.01236	0.7
70.71325	0.9
81.03332	1.1
83.11811	0.3
92.04936	0.9
92.47072	0.3
93.03334	1.6
108.02037	0.4
108.04431	3.8
109.02830	4.5
109.06461	1.0
119.08550	1.0
121.02808	0.5
130.27391	0.3
134.02365	39.4
135.03180	8.6
136.03932	37.5
137.02341	2.0
137.04256	1.4
148.03926	1.1
149.04698	1.1
171.06125	0.3
176.03426	4.2
177.04102	0.7
181.03664	0.5
190.05014	1.1
204.06656	0.6
245.19073	0.9
260.16492	0.4
272.12784	0.4
273.15039	0.3
288.16022	100.0
289.16098	5.5
289.18143	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	287.2227
Annotation	10,16-Dihydroxyhexadecanoic acid
Peak:m/z	Relative Intensity
50.65982	0.2
57.03322	0.3
60.61411	0.2
61.97378	0.2
69.35765	1.7
69.36185	0.6
74.46909	0.2
97.06478	0.4
98.87003	0.2
99.08025	1.6
129.09116	0.9
139.11214	0.3
141.12741	2.0
155.14290	0.7
169.53255	0.3
187.84532	0.2
210.05380	0.3
241.21721	1.0
243.17505	0.4
269.21194	2.9
277.95233	0.3
285.20721	1.7
287.22256	100.0
288.19418	0.5
288.22607	8.2
303.70435	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1652
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50261	0.6
52.18633	0.6
52.57308	0.5
57.03334	0.7
59.01234	2.2
65.03831	0.8
71.50224	0.7
83.04881	0.6
97.06458	2.2
102.04659	2.8
109.54334	0.6
115.05401	4.3
117.06983	100.0
118.07314	4.4
119.08556	1.2
121.06519	0.6
123.08047	1.9
125.02326	1.3
125.09609	11.3
127.00248	0.9
129.03490	0.5
143.04930	1.0
158.07326	1.2
205.00534	0.5
243.17593	2.3
261.21997	0.7
269.15558	1.3
273.67319	0.6
280.88049	0.6
287.16519	83.6
287.22159	3.3
288.16867	9.0
288.22238	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1652
Annotation	15alpha-Hydroxyestradiol
Peak:m/z	Relative Intensity
56.30868	0.9
57.03313	1.2
59.01249	6.3
59.96304	0.8
61.98696	1.3
63.70418	0.7
65.03827	3.2
71.29563	1.7
73.02802	1.1
83.01250	1.0
86.22720	0.9
92.18938	0.8
97.06457	1.6
102.04616	2.3
105.06924	0.9
115.05417	3.3
117.06988	73.8
118.07306	2.8
121.01137	0.9
121.06472	3.9
124.01545	1.0
125.02311	1.3
125.09606	8.3
135.08028	1.1
138.05736	1.0
147.08072	4.3
151.78862	0.9
160.08853	5.1
171.08073	2.3
173.09686	0.9
173.37419	0.9
180.33063	1.0
185.09604	1.2
186.10434	2.4
187.14783	4.4
189.80809	0.8
192.67696	0.8
231.13876	11.8
241.03268	0.9
243.17473	4.3
269.15509	1.6
276.05557	1.0
287.16519	100.0
287.22110	4.2
288.16833	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	287.1611
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	1.1
71.49301	1.1
71.49702	1.5
72.00764	1.4
74.02338	11.7
111.39999	0.9
112.07551	2.5
116.07055	4.7
126.22766	1.0
130.08630	100.0
131.08992	3.2
140.07082	1.2
141.10277	1.2
143.11746	2.2
155.08160	40.5
223.14616	1.4
225.16022	2.5
269.15048	38.3
270.15417	2.5
287.16141	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	285.2433
Annotation	2-Methoxyhexadecanoic acid
Peak:m/z	Relative Intensity
70.25720	2.4
71.93010	0.8
98.19956	1.3
98.20501	0.9
108.10881	0.7
113.05268	0.8
211.20540	1.3
237.22272	4.9
239.23753	63.4
240.24077	4.9
267.23340	1.2
283.22577	0.8
285.04114	1.2
285.24335	100.0
286.24677	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	286.2388
Annotation	Prosopinine
Peak:m/z	Relative Intensity
59.01241	0.9
67.43055	0.4
69.22141	4.2
70.02853	0.8
74.05975	1.7
91.42260	0.5
99.72467	0.4
117.06178	0.9
117.06979	17.2
117.07816	0.8
118.04985	1.1
125.09596	1.1
134.61212	0.4
144.05782	0.5
151.07552	0.5
158.07253	0.5
167.27711	0.5
184.41635	0.4
232.19606	0.4
240.23268	2.9
242.21182	1.8
243.17525	0.7
243.21202	0.9
268.22827	0.8
269.15460	1.0
271.56467	0.5
283.57242	0.5
286.23859	100.0
287.16510	13.6
287.20154	3.6
287.24191	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	285.1708
Annotation	Unknow
Peak:m/z	Relative Intensity
58.88928	0.3
59.01244	1.0
60.71284	0.3
62.96946	0.3
69.03340	0.4
69.40711	2.5
101.92493	0.3
104.95758	0.3
123.04416	0.4
148.24109	0.3
165.12646	0.5
167.10577	0.4
167.14314	0.7
181.12260	0.6
183.13821	7.8
193.12297	2.6
207.14233	0.3
211.13333	100.0
212.11696	0.3
212.13684	5.5
241.09750	1.4
284.26691	0.4
285.04034	0.9
285.12540	1.5
285.17337	0.7
285.20712	1.4
285.27097	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	285.1707
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01240	1.5
60.47585	0.3
62.96520	0.3
69.03342	0.4
71.05451	0.6
83.04881	0.6
98.93374	0.4
111.08012	0.4
137.20862	0.4
155.10692	0.5
156.65256	0.3
167.10634	0.4
167.14287	1.0
183.13815	7.0
193.12267	2.1
193.50238	0.3
209.15465	0.5
211.13332	100.0
212.13693	5.5
253.14247	0.5
267.16092	0.8
284.26852	0.6
285.03976	1.3
285.07410	0.7
285.17084	3.8
285.20657	1.3
285.27026	1.8
286.17542	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1344
Annotation	Tensyuic acid E
Peak:m/z	Relative Intensity
55.01738	0.6
57.03318	3.8
59.01244	1.1
65.00203	0.6
69.03327	1.3
69.41075	2.7
69.87359	0.3
72.99178	16.9
72.99590	0.8
73.24150	0.4
75.00746	3.5
82.39382	0.3
83.04897	0.9
84.02033	1.6
85.02822	20.0
87.00751	0.4
97.06474	0.4
99.23664	0.4
107.01226	0.4
113.02357	0.8
125.09595	0.6
127.11176	0.6
133.02838	3.0
141.09093	0.5
149.02345	0.8
151.00261	1.1
151.11127	0.5
153.09140	0.5
153.12740	1.3
155.86626	0.4
169.12257	15.9
170.12614	0.5
171.10182	24.4
172.10518	0.8
175.03833	0.8
177.12822	0.6
179.10699	1.1
179.14278	0.7
193.12270	2.7
195.13831	2.4
197.11760	100.0
198.12077	5.7
199.03931	0.4
205.12274	1.3
209.11728	0.8
211.13336	1.9
213.15009	0.4
221.11771	3.2
223.13329	4.5
239.12880	1.9
241.10817	6.1
241.14442	6.9
242.10953	0.5
267.12357	0.7
285.04068	10.9
285.13428	85.2
286.04370	1.4
286.13785	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	284.1073
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05221	1.4
56.04913	1.9
59.01236	2.7
61.98705	2.2
64.91370	1.8
69.25118	14.2
69.25409	1.3
71.01260	1.6
74.02342	9.3
97.03933	1.8
108.08141	1.9
109.03947	5.2
110.09632	7.5
111.05524	7.5
113.31158	1.5
122.09620	4.0
123.05527	1.7
125.07076	14.7
135.05574	1.7
138.04190	1.9
138.06645	2.2
150.09125	3.5
152.08113	1.6
154.08664	1.6
164.09419	4.3
169.06038	2.7
177.10258	1.6
179.11824	55.3
180.12090	1.8
206.12886	6.7
211.10791	5.2
223.10823	100.0
224.11176	4.0
241.05138	1.9
257.09647	5.8
269.04419	7.3
270.05334	2.1
283.26395	58.8
284.06790	5.6
284.09952	1.8
284.26752	58.2
285.04276	1.8
285.07605	4.8
285.27087	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	284.1074
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07546	1.0
59.01242	2.8
68.04907	2.2
70.79902	3.3
74.02341	11.5
80.04948	1.3
97.03934	3.2
100.00247	1.6
108.08066	3.4
109.03957	5.5
110.09643	9.0
111.05512	9.9
115.26657	1.0
117.95290	1.1
118.42076	1.0
122.09616	3.8
124.31113	1.3
125.07111	13.2
135.05505	4.0
138.04221	1.5
138.06639	1.2
150.09132	3.2
151.12303	1.8
164.09425	2.3
169.06142	3.3
179.11807	51.1
180.12143	1.9
206.12807	2.9
211.10843	2.0
213.10649	1.1
223.10823	100.0
224.11208	5.7
257.09631	6.7
283.26398	36.5
283.29532	1.9
284.26773	29.9
285.03992	5.3
285.07269	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	284.1075
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04924	1.6
59.01242	3.7
59.17955	1.4
68.04930	2.5
70.27788	2.1
70.28167	2.6
70.52076	1.4
71.01243	1.4
73.60741	1.4
74.02351	7.7
76.22578	1.3
92.35561	1.3
97.03956	3.1
108.08059	2.2
109.03979	5.9
110.09628	8.3
111.05525	6.6
122.09660	3.4
125.07099	9.6
135.05505	3.2
138.04198	1.7
138.06624	2.7
150.09093	3.3
169.06097	2.7
179.11821	50.0
180.12192	1.7
206.12842	2.1
211.10898	3.2
211.13431	2.7
215.36992	1.4
223.10823	100.0
223.43327	1.4
224.11134	5.8
254.05310	2.0
257.09650	6.4
269.07846	4.0
283.26434	42.3
284.10193	4.3
284.26764	47.1
285.04034	1.5
285.27078	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	282.0845
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26763	1.0
59.01247	4.3
71.01268	1.7
74.87435	0.9
82.03996	1.0
84.77059	0.9
85.74859	1.0
89.02317	1.5
101.02309	1.2
106.04079	1.0
107.03527	2.7
108.01929	4.0
115.39542	0.9
124.42639	0.8
126.02991	6.7
133.01456	23.6
134.01788	1.1
150.04123	100.0
151.02567	5.1
151.04503	1.8
161.55286	0.9
281.24908	1.2
282.08435	17.7
283.09448	1.5
283.26416	36.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.0493
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64845	0.5
57.03324	1.0
58.99470	23.6
59.01245	9.3
67.34688	0.6
69.22276	5.2
69.22692	1.0
71.01250	12.7
72.01615	0.8
72.41891	0.6
73.02806	2.9
74.98973	0.9
83.01253	1.4
85.02808	4.6
87.00749	11.4
89.02307	6.5
95.01258	0.6
99.00761	1.0
101.02313	5.9
102.98470	100.0
103.98807	1.4
113.02327	5.7
119.03390	2.1
132.19592	0.5
159.02847	0.9
161.04459	4.8
249.06052	4.3
251.01091	0.6
283.04922	14.6
283.09616	0.8
283.26413	22.5
283.29538	1.3
284.05338	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.2121
Annotation	12(S)-hydroxy-16-Heptadecynoic Acid
Peak:m/z	Relative Intensity
52.87517	0.3
57.03307	1.0
59.01245	9.1
69.83559	1.9
71.01249	1.5
73.02810	0.7
80.97871	0.4
83.01227	0.5
83.04861	1.0
89.02293	1.1
90.84838	0.4
98.20586	0.5
99.08044	2.4
101.02332	1.4
112.22410	0.4
113.02225	0.5
116.92749	0.6
151.41833	0.4
161.04427	0.8
177.12775	0.6
179.14304	1.1
181.12276	0.7
185.13916	0.5
195.13824	22.0
196.14119	1.0
263.20126	21.3
264.20523	1.7
281.21213	100.0
281.24484	5.6
282.21567	8.4
282.24655	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.2484
Annotation	Vaccenic acid
Peak:m/z	Relative Intensity
50.43681	0.5
58.01885	0.5
58.99784	0.4
59.86569	0.5
60.86353	0.4
69.54860	0.5
75.23712	0.5
115.60526	0.5
281.24835	100.0
282.25211	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	281.1758
Annotation	Gallicynoic acid C
Peak:m/z	Relative Intensity
57.03311	2.1
59.00964	0.9
59.01251	17.2
69.03333	1.2
71.01247	2.4
83.04888	2.1
85.02810	1.1
89.02299	1.6
95.04903	1.9
97.06450	2.8
98.03607	1.4
101.02321	2.1
111.08044	2.1
113.02320	1.5
113.09637	3.3
115.07531	1.6
119.03371	1.0
123.08022	1.3
125.05962	0.8
133.06514	0.9
137.09624	5.8
139.07533	2.9
139.11195	3.2
141.09096	9.5
142.09422	0.8
143.10709	1.9
149.09625	0.8
151.11203	1.7
153.09088	3.3
155.10660	3.0
161.04391	1.0
165.09097	1.6
165.12759	14.5
166.13072	0.8
167.10648	1.9
181.12105	0.9
183.10144	2.5
191.14279	2.3
209.18993	1.0
212.10455	2.6
213.11340	0.8
219.17506	13.6
220.17796	0.7
237.18599	4.4
238.18878	1.1
245.15453	2.9
253.17943	1.8
253.20389	0.8
263.16501	36.7
264.16821	3.1
280.25107	0.7
281.17563	100.0
281.24338	6.2
282.17905	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	281.1758
Annotation	Gallicynoic acid C
Peak:m/z	Relative Intensity
50.77790	2.0
57.03308	4.9
59.01248	65.1
61.98711	2.3
69.03322	3.7
71.01253	14.1
71.49900	3.9
73.02811	4.0
79.49332	2.3
83.04903	3.6
85.02825	3.8
87.00788	2.8
89.02297	7.7
95.01226	2.8
95.04891	4.0
95.27461	2.5
96.95889	7.4
101.02293	7.7
102.45993	2.3
109.06420	4.0
111.00705	2.9
111.08033	35.1
113.02341	5.2
119.03351	3.6
120.61674	2.3
122.03205	2.1
123.08015	5.0
125.09591	14.8
127.07525	6.2
137.02350	3.9
137.09628	2.3
139.11169	3.8
141.09102	4.3
149.09593	3.3
149.42004	2.2
151.07487	3.3
153.09094	5.0
155.10623	3.4
159.11981	2.6
161.04503	2.8
165.12691	3.1
169.08603	100.0
170.08934	4.6
171.10136	6.9
171.11635	3.4
183.10187	18.1
195.13824	3.4
223.13342	7.0
235.16971	11.9
237.14963	5.7
245.11609	4.5
263.16525	21.9
281.09225	6.2
281.14337	6.1
281.17563	47.0
281.21164	5.9
281.24750	27.8
282.17978	3.2
300.56589	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	281.1756
Annotation	Gallicynoic acid C
Peak:m/z	Relative Intensity
57.03321	2.0
58.91693	0.6
59.01245	100.0
59.79184	0.5
59.93579	0.6
60.01592	0.9
69.03341	0.6
69.95209	2.8
71.01255	1.2
71.01926	0.6
73.02840	0.9
83.04898	1.1
85.02853	1.4
89.02326	1.3
93.03368	0.6
95.04888	0.8
97.06475	0.8
101.02330	1.7
106.91190	0.6
109.06455	0.6
111.04428	1.5
111.08039	1.1
113.05979	1.6
119.63378	0.7
121.10113	14.4
125.09592	0.9
137.09624	0.7
139.07481	0.6
141.05460	0.7
143.07027	1.6
147.11717	1.8
155.07051	1.0
159.06520	8.0
161.04424	1.6
165.12724	1.5
169.08640	1.1
171.10170	1.2
197.11763	1.1
199.47528	0.7
201.16505	0.7
219.17551	1.9
237.14893	0.8
237.18565	1.2
245.15372	1.0
263.16495	9.8
264.16882	0.9
281.14441	1.4
281.17621	19.5
281.21222	4.6
281.24866	3.2
282.18008	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	281.1397
Annotation	Carolenalol
Peak:m/z	Relative Intensity
57.03324	17.4
59.01251	60.0
61.65723	3.8
64.86248	4.2
65.03832	4.7
69.27723	9.2
69.28121	30.3
71.01251	13.5
73.02847	3.6
73.49255	3.7
81.26107	3.8
81.79812	3.6
83.04907	16.7
85.02844	7.5
87.00744	21.7
89.02305	3.9
101.02361	6.8
111.04430	4.3
118.14314	3.9
121.06484	5.5
123.08064	29.9
137.09660	6.5
139.07513	4.3
153.09100	6.0
163.03906	5.6
169.10138	6.5
171.11705	44.9
189.12781	14.5
201.12817	11.0
207.13852	10.6
219.13931	9.4
237.14929	68.4
276.35062	3.8
281.10855	6.4
281.13962	100.0
281.24942	22.5
282.14362	12.0
289.72748	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	281.1394
Annotation	Carolenalol
Peak:m/z	Relative Intensity
50.46386	1.2
55.01738	1.4
57.03326	19.8
59.01250	15.0
65.03835	5.8
69.03324	2.4
69.46008	5.4
69.46433	3.2
71.01257	1.7
71.04921	1.3
83.04893	20.3
85.02798	1.8
87.00751	24.0
91.03407	1.2
93.03316	1.8
95.04916	5.7
96.70904	1.1
97.02828	2.1
98.19843	2.2
99.04411	1.5
101.02323	1.9
101.05957	1.8
109.02807	1.3
109.06543	1.7
111.04396	6.2
111.08043	4.9
119.08568	2.0
121.06467	9.0
122.03622	2.0
123.08047	38.0
124.05188	3.7
124.08403	2.3
125.09666	1.2
129.06970	1.7
135.08037	2.4
137.05995	2.3
137.09610	5.6
138.06816	1.6
139.07552	7.4
145.10152	5.0
149.09596	1.4
151.07526	4.7
153.09123	4.8
163.11128	1.4
169.08682	2.6
169.10135	4.9
171.11710	46.2
172.12030	2.4
185.09767	1.6
189.12784	14.1
193.04974	1.6
201.12766	16.1
207.13876	8.3
219.13811	6.4
237.14917	58.6
238.15170	6.3
281.13947	100.0
281.24744	3.7
282.14258	8.8
301.26968	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	281.1241
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	100.0
59.54062	1.5
60.01590	1.6
69.02515	1.3
69.11378	1.3
71.01254	4.5
71.12280	2.9
78.40011	1.4
85.02853	2.1
89.02329	2.3
101.02309	3.3
105.00028	1.6
107.43932	1.2
113.02295	2.5
161.04515	1.8
208.69426	1.4
221.10272	2.6
247.15599	1.4
281.24811	10.4
282.25363	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	279.2328
Annotation	Linoleic acid
Peak:m/z	Relative Intensity
59.01233	0.5
63.28823	0.3
71.51051	0.7
110.42810	0.4
121.70046	0.4
251.75127	0.4
261.22180	0.6
279.23276	100.0
280.23639	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	279.2329
Annotation	Linoleic acid
Peak:m/z	Relative Intensity
59.01240	0.9
62.20732	0.3
62.48289	0.3
62.74974	0.3
71.01157	0.6
123.39331	0.3
129.49918	0.3
142.22527	0.3
177.44879	0.4
279.23279	100.0
280.23611	7.8
288.83197	0.4
303.59076	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.233
Annotation	Linoleic acid
Peak:m/z	Relative Intensity
59.01252	3.1
71.01260	1.4
72.64195	0.4
72.99187	0.4
80.69357	0.4
85.02837	0.7
87.92429	0.6
89.02224	0.4
91.07958	0.3
101.02302	0.8
101.92343	0.6
103.91908	0.6
106.03991	1.2
119.03320	0.4
144.95892	0.6
146.93784	1.0
192.82936	0.6
192.86513	0.6
194.84436	0.4
195.87636	0.6
196.79265	0.4
234.87537	0.9
236.85460	0.4
236.87851	0.9
265.75201	0.4
278.89066	0.7
279.23288	100.0
280.23633	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	279.1964
Annotation	12S-HHTrE
Peak:m/z	Relative Intensity
59.01246	4.4
71.01253	2.4
90.07525	1.1
101.02341	2.3
103.90004	1.2
114.06036	1.0
114.57624	1.1
121.02834	1.1
153.88602	1.1
179.14374	1.5
195.13805	13.1
205.12270	1.5
219.02902	1.9
223.13312	9.3
228.13632	1.4
235.20837	1.4
256.13068	4.0
261.18591	9.7
279.19650	100.0
279.23218	31.4
280.19955	8.5
280.23587	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	279.2326
Annotation	Linoleic acid
Peak:m/z	Relative Intensity
53.72204	0.4
56.24273	0.4
70.16836	1.9
78.28535	0.4
98.20460	0.5
182.24875	0.5
194.36800	0.4
199.32590	0.4
218.46362	0.4
279.23282	100.0
280.23624	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	279.1962
Annotation	12S-HHTrE
Peak:m/z	Relative Intensity
57.03316	1.5
59.01242	2.2
62.62464	0.4
67.56673	0.5
71.01237	1.1
71.04875	0.5
73.02793	0.5
77.23312	0.5
81.03323	0.6
85.02825	0.7
96.95879	0.6
97.06451	1.9
98.19841	0.9
101.02321	1.1
107.08604	0.5
123.08022	1.1
125.09595	4.8
135.08044	1.4
137.09654	0.6
141.12744	1.1
145.00453	0.4
177.07445	0.5
185.11745	7.7
191.54140	0.4
197.05960	1.0
197.11795	3.0
197.94957	0.5
219.02878	0.7
234.05249	0.5
235.13333	0.7
235.16986	1.3
235.20648	0.7
251.16553	0.5
261.14960	1.8
261.18570	0.6
279.16217	5.0
279.19644	100.0
279.23148	12.2
279.52652	0.5
280.19989	7.3
280.23376	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1962
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	1.5
59.01242	2.2
62.62464	0.4
67.56673	0.5
71.01237	1.1
71.04875	0.5
73.02793	0.5
77.23312	0.5
81.03323	0.6
85.02825	0.7
96.95879	0.6
97.06451	1.9
98.19841	0.9
101.02321	1.1
107.08604	0.5
123.08022	1.1
125.09595	4.8
135.08044	1.4
137.09654	0.6
141.12744	1.1
145.00453	0.4
177.07445	0.5
185.11745	7.7
191.54140	0.4
197.05960	1.0
197.11795	3.0
197.94957	0.5
219.02878	0.7
234.05249	0.5
235.13333	0.7
235.16986	1.3
235.20648	0.7
251.16553	0.5
261.14960	1.8
261.18570	0.6
279.16217	5.0
279.19644	100.0
279.23148	12.2
279.52652	0.5
280.19989	7.3
280.23376	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.0508
Annotation	Unknow
Peak:m/z	Relative Intensity
58.05661	0.8
59.01248	2.3
66.83965	0.9
68.40353	0.8
71.01247	24.6
71.49699	1.4
72.99170	1.5
93.03349	1.4
101.02326	1.3
107.38206	0.8
115.00252	11.8
119.04907	69.1
120.05257	2.6
121.22802	0.8
133.01323	10.4
139.07542	2.5
161.42168	0.9
163.03909	100.0
164.04218	5.2
165.82970	0.9
263.21417	1.0
279.14716	1.1
279.23300	9.9
292.64612	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1236
Annotation	Nigellic acid
Peak:m/z	Relative Intensity
57.03333	8.3
59.01255	3.3
59.43223	1.3
61.98685	2.4
69.03316	5.7
69.70622	6.4
69.71040	2.9
71.01246	1.4
78.57080	1.7
79.05412	2.5
81.03318	2.8
83.04890	3.7
85.02816	3.5
95.04903	2.0
97.02808	10.0
98.20542	2.5
99.04385	5.8
107.04907	2.2
108.24004	1.7
109.06441	3.7
111.04398	6.5
113.02306	1.4
121.02837	11.3
121.06480	6.4
122.03631	1.9
123.08073	3.8
125.05952	10.0
135.04408	2.8
135.08125	2.0
136.05200	18.9
137.05872	1.9
137.09621	5.2
139.07567	7.4
147.04362	1.8
147.08101	3.2
147.11671	3.0
151.07552	100.0
151.11166	10.7
152.07855	3.6
156.09328	3.4
158.07332	2.8
159.08070	2.0
161.09689	2.4
162.06685	2.1
167.07037	2.6
168.07832	27.8
168.35367	1.5
169.08583	9.7
171.08075	3.5
171.11722	5.6
173.09634	7.0
175.11192	5.4
179.07086	5.2
179.10811	2.3
184.08861	15.7
185.09270	1.8
187.11188	11.3
189.12816	13.0
192.04228	1.6
196.44792	1.5
199.11208	14.3
201.09103	7.6
202.09891	3.2
205.12267	37.7
206.12561	2.1
215.10712	5.4
217.12285	57.5
218.12549	3.0
235.13390	9.2
249.11218	1.9
261.11243	3.7
279.12454	18.0
279.23273	28.7
280.12643	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	277.217
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01239	1.4
62.48140	0.4
69.20472	3.8
69.20882	1.0
71.01248	0.9
108.97626	0.4
111.51778	0.5
241.98691	0.4
259.20615	0.6
275.19891	0.7
277.21695	100.0
278.21994	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	279.0508
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01237	5.9
60.97409	1.4
61.98682	1.5
69.79084	8.6
71.01254	21.0
72.99179	4.6
78.76656	1.5
89.02289	2.9
96.95898	1.8
98.19809	2.6
114.99490	2.8
115.00257	39.9
116.00603	2.5
119.04912	46.6
125.24471	1.6
133.01318	100.0
134.01700	2.1
135.04353	1.6
160.54065	1.5
163.03912	35.5
164.04265	2.0
196.29646	1.5
205.19923	1.6
255.96700	1.7
279.23260	36.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2169
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01258	2.0
67.31663	0.4
79.17058	0.3
81.70322	0.3
97.46054	0.4
98.20596	0.8
106.15666	0.4
126.04752	0.4
127.07518	0.6
159.47522	0.4
173.27687	0.4
233.22649	0.6
259.20593	0.7
266.34772	0.5
275.20151	0.5
277.21698	100.0
278.22076	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2171
Annotation	Unknow
Peak:m/z	Relative Intensity
54.14028	0.5
69.56781	3.4
80.68538	0.5
82.60448	0.4
85.63947	0.4
163.10136	0.5
173.56332	0.5
192.70638	0.4
226.39465	0.5
228.08463	0.5
264.81049	0.4
277.21713	100.0
278.22058	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	277.217
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
50.06367	0.4
59.00960	0.5
59.01242	5.4
69.39529	0.4
69.50166	2.5
69.50579	0.8
71.01244	1.0
79.95587	0.5
81.95177	0.6
85.02797	0.6
100.09338	0.4
119.04939	0.5
121.02828	0.6
133.61276	0.4
138.37323	0.4
156.82715	0.4
163.52637	0.4
205.15916	0.8
233.18982	1.3
233.22667	0.5
259.20935	0.6
275.20172	0.7
277.18210	8.4
277.21686	100.0
278.22034	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	277.217
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01239	2.0
71.08804	1.3
73.76203	0.6
88.07706	0.7
104.80806	0.6
123.49458	0.6
140.68771	0.6
212.02884	0.7
243.02211	0.6
259.20706	1.1
277.21707	100.0
278.22052	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	277.166
Annotation	Fissoldhimine
Peak:m/z	Relative Intensity
54.91122	0.5
59.01322	6.4
59.47738	0.5
71.01322	1.2
71.52600	0.9
85.02912	0.8
121.02247	0.6
121.03152	5.1
137.66985	0.6
146.99403	0.8
147.08353	5.4
149.00961	1.0
161.04617	0.6
165.00352	12.2
180.99878	1.2
183.01418	1.1
189.04021	1.5
191.05589	11.1
205.07182	1.4
205.15909	1.6
207.05190	0.6
227.71982	0.7
231.08669	2.1
233.10298	100.0
234.10416	8.7
259.15363	1.2
277.09433	1.5
277.16547	81.0
277.21622	88.6
278.16672	9.1
278.21948	6.4
288.42438	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.1808
Annotation	Panaxjapyne C
Peak:m/z	Relative Intensity
58.42025	0.3
59.01247	2.2
60.46016	0.4
62.64259	0.4
63.95859	0.4
71.01251	1.0
71.04883	0.4
71.50343	0.4
95.04911	0.4
97.06413	0.6
113.05951	0.5
121.02872	0.5
121.18477	0.4
125.05952	0.7
127.07533	0.4
134.07239	0.4
136.08818	1.1
137.09645	0.6
146.08058	0.5
149.09618	1.1
151.11183	20.6
152.11528	1.5
177.12750	0.6
179.14291	0.5
203.14383	0.6
205.15923	0.9
233.08168	0.5
233.19061	11.3
234.19398	0.9
259.16974	7.3
260.17331	0.5
277.18076	100.0
277.21664	49.9
278.15533	0.6
278.18417	9.5
278.22003	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	277.1445
Annotation	Tournefolin A
Peak:m/z	Relative Intensity
55.01749	0.5
59.01254	2.7
66.30964	0.4
69.14173	0.4
71.50155	0.8
79.01757	20.1
80.59705	0.4
85.02814	0.8
85.98041	0.5
87.00731	1.2
95.01269	2.2
111.00771	1.9
115.03909	0.4
121.02852	0.6
121.06441	1.9
123.04358	0.5
124.01543	8.3
125.02361	0.8
125.05967	7.4
128.01108	0.4
137.02341	0.6
137.05968	0.8
138.03091	1.1
139.03909	1.1
140.04608	0.5
151.00269	27.2
151.03889	1.8
152.00659	0.8
152.04688	8.6
165.05481	6.8
167.07022	0.6
177.25145	0.4
179.03432	2.3
179.07024	2.1
180.07826	12.6
181.08203	0.6
182.62875	0.4
184.03667	1.0
193.04985	2.9
202.85243	0.5
207.06464	0.6
208.07339	34.6
209.07715	1.5
212.06831	28.6
213.07146	1.2
219.10216	0.6
277.14429	100.0
277.21442	1.8
278.14743	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	277.0503
Annotation	4-Hydroxyfurano[2'',3'':6,7]aurone
Peak:m/z	Relative Intensity
50.77888	0.1
53.78743	0.1
56.09224	0.1
59.01250	0.3
61.98695	0.1
65.00173	0.6
71.01249	0.2
71.50616	0.2
73.00734	0.1
75.02280	0.7
82.30833	0.1
87.02281	0.2
89.00211	0.3
91.01293	0.1
91.01777	0.6
93.03311	0.1
99.04419	0.1
100.22633	0.1
101.03846	0.3
103.01777	4.1
104.02152	0.1
107.01276	0.2
109.02821	0.3
113.02262	0.1
119.01273	0.7
121.02858	0.2
131.01285	19.7
132.01613	0.8
137.02376	0.6
145.02844	0.4
146.08136	0.4
147.00784	1.9
165.07008	0.7
167.04921	0.1
175.00287	33.2
176.00615	1.5
176.06265	0.1
177.06978	0.4
193.01360	1.2
193.06532	1.4
194.06969	0.1
195.04431	0.4
204.05708	0.4
205.06523	0.2
217.11978	0.1
221.06023	1.6
228.81184	0.1
232.05200	0.2
233.05986	0.3
239.07091	0.6
248.04778	0.7
249.05504	0.9
259.13431	0.1
276.04288	0.2
277.05051	100.0
277.21716	3.2
278.05389	9.3
278.07730	0.2
278.22006	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.0329
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48934	0.4
57.32886	0.5
59.01235	0.6
71.01249	0.5
71.12989	0.7
74.79586	0.5
78.95773	43.2
96.96838	100.0
114.05328	0.4
188.88705	0.5
277.21692	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	277.0328
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01258	1.1
69.73035	3.8
78.95775	53.8
82.28589	0.8
91.05554	0.7
96.96838	100.0
277.21732	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	276.0875
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47802	0.7
55.01756	0.9
57.03309	1.4
58.02829	1.0
59.01244	2.8
67.01768	3.8
68.99695	1.5
69.03329	4.0
71.01261	4.2
71.29619	1.9
74.29170	0.8
79.01757	0.7
83.01241	1.2
85.02821	11.2
97.02820	5.0
101.02274	2.0
101.03846	2.0
115.03906	0.9
116.04935	1.3
119.04921	12.4
121.02821	0.7
129.03329	1.1
130.06383	1.1
131.03654	2.5
133.06488	1.8
135.04378	2.8
140.04950	3.0
144.04439	3.4
145.04881	1.2
147.04416	100.0
148.04782	4.5
156.04404	1.2
157.05180	2.4
158.06021	13.5
161.05957	2.1
189.05513	2.2
276.08914	1.0
277.21500	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	276.0875
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01748	1.0
57.03324	1.8
59.01248	2.6
65.03840	0.4
65.47212	0.3
67.01759	3.6
68.99670	1.8
69.03320	2.5
69.11778	0.3
69.47430	2.2
71.01264	3.3
81.03338	1.7
83.01254	1.3
85.02821	10.2
97.02838	4.5
98.19968	0.5
99.04395	0.5
101.02351	2.2
101.03846	1.5
109.02829	0.7
115.03900	1.2
116.04946	1.4
117.03417	0.4
119.04913	10.3
121.02843	1.4
127.03904	0.9
129.03358	1.3
131.03693	0.5
131.04927	0.8
133.06482	2.0
135.04410	3.4
136.79041	0.3
139.40199	0.3
140.04955	2.6
144.04428	2.6
145.04977	1.0
147.04416	100.0
148.04733	4.4
156.04436	1.7
157.05212	1.5
158.06021	12.6
159.04440	0.6
159.06348	0.7
161.05981	2.6
163.03886	0.4
173.02419	0.5
189.05481	3.4
201.05615	0.7
203.85568	0.4
276.08777	1.0
276.52652	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1861
Annotation	Dicranin
Peak:m/z	Relative Intensity
52.16389	3.4
59.01245	8.1
71.01260	6.0
71.50748	2.8
71.51158	2.7
103.76005	3.0
151.70296	3.0
199.07393	3.0
209.00876	3.0
229.19576	17.9
239.81007	3.3
273.15591	5.2
273.18591	100.0
274.18848	7.7
276.03409	3.1
278.36099	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	275.2014
Annotation	coniferonic acid
Peak:m/z	Relative Intensity
55.52934	2.2
59.02034	2.1
67.13860	2.2
70.44760	5.5
87.22417	2.1
98.19971	3.0
101.05640	2.0
112.10748	2.3
231.21132	100.0
232.21509	11.1
275.20096	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	275.2014
Annotation	Stearidonic Acid
Peak:m/z	Relative Intensity
59.01248	4.6
60.11272	0.9
64.56733	0.8
69.45967	6.0
69.46386	2.4
89.88217	0.9
97.20737	1.1
111.49261	0.9
118.71526	0.9
121.10071	1.0
155.48091	1.1
177.08978	0.9
177.16380	1.9
222.05516	1.1
231.21107	5.2
257.19162	1.7
275.20148	100.0
276.20547	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	275.2015
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74249	1.1
57.83001	1.2
59.01249	12.0
71.01242	1.1
71.30717	1.8
88.62933	1.2
111.00751	2.6
131.03078	1.1
140.06966	1.2
171.29346	1.3
177.16411	3.5
191.01996	1.6
203.17998	1.5
231.21115	15.3
271.67120	1.3
275.20135	100.0
276.20465	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	273.098
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03309	4.7
59.01245	25.0
60.67048	2.3
67.01723	2.0
67.55049	2.3
71.01252	33.7
72.99199	14.4
73.02811	4.4
81.03332	3.9
83.01256	10.0
85.02806	7.1
85.06475	4.9
86.72020	2.6
87.00744	47.5
88.10849	2.7
97.06427	2.3
98.20198	19.2
99.00750	24.6
102.77041	2.7
108.02046	15.1
111.00768	5.2
111.08035	8.4
113.02305	4.2
113.05963	3.0
114.60737	2.2
115.00258	82.8
116.00578	2.5
117.01808	5.1
123.08054	7.7
127.07523	3.3
136.05116	2.6
139.00238	8.9
139.07539	4.8
141.09035	3.7
149.16544	2.4
151.07556	19.3
153.05490	4.5
155.06966	5.9
157.01346	7.6
165.09125	8.0
169.08578	7.7
173.08083	4.4
175.02397	100.0
176.02710	2.9
185.08154	8.0
193.08626	7.9
210.09233	2.7
211.09686	5.8
213.07570	15.5
229.69402	3.2
255.08698	6.4
273.09756	33.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.2279
Annotation	2-hydroxyhexadecanoic acid
Peak:m/z	Relative Intensity
59.01234	1.2
59.26959	0.9
71.15040	1.3
71.15367	1.4
77.60289	0.9
79.52412	1.0
107.92548	0.9
108.01995	2.1
109.02807	2.2
115.84570	0.9
118.48067	0.9
125.02333	3.6
223.20625	3.7
225.22174	63.4
226.22600	5.3
253.21690	1.6
258.60751	1.0
271.06024	1.1
271.22772	100.0
272.23105	7.9
293.03192	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0381
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	1.6
71.48631	1.2
85.02856	0.9
88.67425	0.8
116.99162	0.8
121.02838	100.0
122.03180	2.9
147.04385	6.4
191.03418	83.9
192.03764	4.5
193.07550	1.5
252.44188	1.0
268.79095	0.9
273.03574	2.5
273.07623	2.1
273.16992	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	271.0824
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01758	2.4
57.03318	2.3
59.01234	1.6
59.41507	0.6
63.03535	0.5
68.99685	1.4
69.03305	0.7
69.50830	2.9
69.51240	1.1
71.01257	7.0
71.04893	0.8
72.99187	1.4
73.02815	0.8
74.02353	0.6
75.87977	0.6
80.02549	0.9
81.03328	0.7
83.01261	5.2
83.04896	1.2
85.02813	5.2
95.04900	1.8
97.06463	5.3
99.00772	3.2
107.04892	0.7
108.02070	1.2
109.02833	0.7
109.06469	2.9
111.00780	1.2
111.08028	1.4
113.05998	1.0
113.09587	0.6
121.06449	1.1
122.03599	1.1
123.08038	4.2
124.98749	0.7
125.02340	1.2
125.06000	3.9
125.09617	34.9
126.09946	1.6
127.07578	0.7
129.01837	0.7
135.08051	2.8
137.05997	4.1
137.09627	2.6
138.03043	1.0
139.07542	2.7
141.09087	1.9
142.99762	2.5
143.10614	0.8
151.07538	2.2
153.05499	4.2
153.09105	13.9
154.99730	3.1
163.07539	1.0
165.05489	1.7
169.08624	3.5
171.10197	1.3
173.00809	4.2
174.01590	3.8
181.08617	1.2
185.06129	0.6
197.04477	2.6
197.08134	6.4
209.08220	0.9
227.07175	0.7
227.09290	3.2
241.07143	3.4
271.08228	100.0
271.22733	1.9
272.08585	7.5
272.11337	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	269.2485
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66566	0.3
58.00465	1.4
59.01234	1.0
60.52314	0.3
64.71754	0.4
69.00220	0.4
69.03312	1.3
69.45370	1.4
69.45798	1.9
71.01248	8.4
72.89509	0.3
73.02817	10.5
84.02009	0.7
117.03313	0.6
130.99876	0.4
138.38046	0.3
140.92297	0.4
149.21214	0.4
164.03204	0.4
225.22157	0.6
237.22289	0.9
239.23769	6.8
249.22423	0.5
251.23787	0.8
255.23248	0.5
267.23267	7.8
268.23685	0.8
269.04514	2.4
269.21414	6.9
269.24832	100.0
270.25198	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	269.2485
Annotation	Margaric acid
Peak:m/z	Relative Intensity
58.00458	0.7
59.01237	0.7
63.93333	0.3
65.96713	0.3
69.03316	1.4
69.56326	2.6
71.00864	0.5
71.01250	8.5
72.99175	0.4
73.02815	8.9
73.56543	0.4
82.62916	0.3
84.02054	0.5
85.02774	0.4
96.77935	0.4
98.20530	0.7
105.51799	0.4
113.02283	0.4
117.03352	0.5
223.20540	0.6
231.19983	0.5
237.22162	1.0
239.23773	7.1
249.22194	0.6
251.23677	0.9
255.23315	0.7
267.23300	7.8
268.23608	0.5
269.04456	2.1
269.21387	7.3
269.24829	100.0
270.22049	0.6
270.25180	9.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0822
Annotation	Unknow
Peak:m/z	Relative Intensity
54.60655	1.3
55.01746	3.9
56.21895	1.9
57.03318	2.2
59.01256	1.7
60.37486	1.3
63.53491	1.5
68.99705	2.5
71.01247	15.7
72.99169	3.5
73.02804	1.8
79.46115	1.5
83.01257	11.5
83.04911	2.6
85.02809	2.9
95.04916	2.7
96.99189	2.6
97.06463	19.5
98.20636	3.9
99.00758	5.1
108.02040	4.4
108.73317	1.7
109.02839	2.6
111.00727	2.0
111.08049	3.1
113.05968	2.2
115.00273	1.7
121.06496	1.7
122.03613	4.3
123.08024	3.9
124.98705	13.0
125.02325	4.6
125.05993	7.1
125.09592	11.0
135.08057	2.4
137.05975	4.7
137.09596	4.6
138.03113	3.4
139.07541	9.7
141.09091	7.5
142.99763	38.7
151.00267	2.2
151.07504	3.3
153.05464	4.7
153.09114	9.1
154.99765	37.1
165.05495	1.4
165.09004	1.9
167.07069	2.5
169.08611	3.0
169.46103	1.5
173.00835	73.7
174.01234	1.6
180.04173	2.2
181.08548	2.8
197.04492	36.0
197.08200	5.1
198.04892	2.6
209.08141	9.9
216.07587	1.3
223.06168	2.8
224.60686	1.4
230.01353	1.5
241.05179	2.0
241.07141	47.7
242.07486	4.8
271.08231	100.0
271.22818	4.4
272.08603	6.9
287.18167	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	269.103
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01753	10.2
57.03329	9.6
59.01248	48.1
61.10238	1.7
63.70705	1.5
64.29444	1.7
69.51091	12.9
71.01252	100.0
72.99174	4.2
73.02821	31.2
75.00751	1.9
83.01260	16.3
85.02821	49.1
85.40073	2.1
85.99993	2.9
87.00732	4.3
89.02299	2.9
91.03361	1.6
92.15504	1.8
95.01254	7.6
97.02858	2.8
99.00768	14.9
101.02316	74.0
102.59174	1.9
113.02315	34.2
115.08854	1.8
125.02336	2.5
151.03984	2.0
159.02888	9.2
161.04471	23.5
175.73410	1.7
214.13336	1.9
269.04373	4.2
269.10406	5.4
269.21182	23.3
269.24768	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	269.212
Annotation	2-keto palmitic acid
Peak:m/z	Relative Intensity
52.59947	0.9
55.01744	1.2
57.03309	2.3
59.01246	1.2
61.91537	0.9
69.03302	1.3
69.21230	10.4
71.01234	2.3
71.04895	10.9
74.79134	1.1
83.04876	2.5
109.59678	0.9
115.81285	1.1
142.86156	0.9
195.17404	2.2
197.19048	21.1
205.28055	1.0
223.20645	9.3
225.22182	30.5
226.22516	2.3
251.20174	4.8
269.04492	2.9
269.21198	100.0
269.24518	3.4
270.21527	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	269.1028
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	9.8
56.71576	1.3
57.03312	5.5
58.00463	3.1
59.01250	43.8
69.03317	1.2
69.25583	1.1
71.01254	100.0
72.01575	2.1
72.99158	3.8
73.02408	1.7
73.02817	35.4
75.00735	1.8
83.01252	16.1
84.02048	1.3
85.02824	48.9
87.00737	5.7
89.02317	4.8
94.66133	1.2
95.01266	8.3
97.02798	2.6
98.19780	2.6
99.00755	14.2
101.02323	74.7
102.02660	1.8
113.02327	40.7
125.02305	2.3
143.03380	2.5
159.02956	6.8
161.04469	23.6
199.01527	1.4
205.03517	1.3
269.04327	1.6
269.10556	6.8
269.21204	12.7
269.24786	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	267.1964
Annotation	15-Methoxyisodauc-3-ene-1beta,5alpha-diol
Peak:m/z	Relative Intensity
55.01757	1.8
55.61825	0.5
55.81283	0.5
57.03330	0.6
59.01243	1.3
63.13957	0.5
69.03329	6.0
69.48941	2.7
69.49351	1.3
71.01243	1.9
71.04891	10.6
77.70921	0.5
79.49998	0.6
80.02543	1.5
81.03330	1.6
83.04925	1.0
85.02824	0.6
89.02328	0.8
97.06458	0.8
101.02332	1.2
109.88478	0.5
112.72948	0.5
113.02345	0.8
195.17499	1.1
221.19075	3.3
223.20619	100.0
224.20958	6.8
267.19629	58.9
267.23804	0.8
268.20007	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	267.16
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01747	5.3
57.03322	13.5
59.01248	16.5
60.99173	3.3
61.69640	1.6
61.98688	2.0
69.03325	6.3
70.49178	4.0
70.49546	3.3
71.01243	12.9
71.04873	2.6
73.02823	2.9
74.34692	1.6
76.25993	1.7
83.04900	19.4
85.02810	5.8
87.00738	3.5
89.02309	4.3
95.04897	48.4
96.95786	2.0
97.02840	3.6
97.06482	9.4
98.03591	13.2
99.00786	2.1
99.08022	2.2
101.02310	12.1
102.11943	1.6
108.02074	2.2
109.06481	18.4
109.29021	1.8
111.04387	4.9
113.02345	4.9
113.05966	40.5
119.03354	2.4
119.08572	3.1
121.02817	3.8
121.06498	3.4
121.10154	2.6
124.05180	7.4
127.07536	2.0
135.08060	7.1
135.11674	4.2
137.09627	17.8
138.06731	3.2
139.07552	23.0
145.10114	6.1
149.09570	2.5
153.09111	17.6
155.10680	100.0
156.11009	4.1
161.04457	5.1
171.11673	2.8
187.14836	7.2
199.09698	6.6
201.12834	2.2
203.14339	16.7
205.15910	91.1
206.16280	7.7
223.16969	58.6
249.14949	2.8
267.06668	4.1
267.11057	3.3
267.16010	73.7
268.16254	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	267.066
Annotation	Dorstegin
Peak:m/z	Relative Intensity
52.46274	2.1
55.61749	1.9
59.01251	17.3
59.64957	1.8
61.94016	1.8
61.98685	3.0
71.01248	16.1
72.99200	1.9
73.02818	6.3
76.33821	1.8
83.01276	4.0
85.02822	6.6
87.00756	3.4
89.02327	9.4
94.59164	2.0
97.23140	1.9
101.02324	15.6
101.65347	2.1
113.02341	9.2
114.46658	1.8
119.03396	2.7
121.00667	1.9
121.02799	3.2
134.03682	2.5
161.04501	5.5
192.32088	1.9
197.06010	100.0
198.06302	5.3
198.58180	2.0
209.04343	3.2
223.07574	6.4
267.06595	37.0
267.10736	6.6
267.16144	3.4
267.19553	6.2
268.06769	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	267.0509
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15850	0.5
54.81488	0.6
59.01246	5.8
62.69469	0.6
70.75088	0.6
70.83630	1.3
71.01256	1.8
72.99178	4.4
75.00745	3.3
85.02816	1.6
87.00733	1.6
89.02310	1.1
98.20330	0.8
101.02325	1.9
105.01814	100.0
106.02132	1.2
113.02334	0.9
115.97982	0.6
123.04391	1.0
133.02841	7.3
134.03615	1.1
135.04411	8.5
161.02344	41.4
162.02644	1.3
179.03433	4.0
179.06960	0.9
186.92990	0.6
190.73541	0.7
192.01044	0.6
215.03673	0.6
240.76738	0.6
248.78195	0.6
267.05127	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	267.0509
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74318	0.7
59.01256	5.2
69.73518	4.9
71.01254	2.9
72.99174	3.2
75.00745	3.0
85.02830	1.3
89.02343	1.1
93.95415	0.7
98.20278	2.4
101.02332	2.5
105.01820	100.0
106.02164	1.7
113.02322	0.8
133.02870	7.7
135.04399	4.3
150.20427	0.8
161.02354	37.5
162.02733	2.1
179.03407	3.0
258.17166	0.8
267.04980	1.7
267.10635	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.2171
Annotation	Hydroprene
Peak:m/z	Relative Intensity
50.87613	0.5
60.90417	0.5
70.24598	0.6
71.19564	1.0
80.66817	0.5
86.79482	0.5
96.95879	1.8
104.37079	0.5
184.97983	0.5
225.95811	0.6
247.20737	0.5
265.21698	100.0
266.22040	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	266.0669
Annotation	Unknow
Peak:m/z	Relative Intensity
58.68119	3.6
59.01247	84.2
70.88589	11.5
71.01241	4.8
91.05418	4.8
116.04916	10.2
118.05671	5.2
118.06509	100.0
119.04884	4.9
119.06872	3.6
121.81223	3.7
133.06508	18.3
140.49026	4.1
147.04417	7.2
149.36739	5.0
160.07600	56.4
169.68477	3.7
180.16093	3.7
222.07655	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	263.2015
Annotation	Farnesyl acetate
Peak:m/z	Relative Intensity
59.01246	6.3
70.67062	0.9
71.01258	1.6
71.51161	1.1
73.02818	1.0
87.86578	1.0
89.02321	0.9
127.22511	1.0
129.47990	1.0
148.54207	0.8
149.35963	0.8
152.31085	0.9
163.02739	0.9
197.51706	0.9
263.09348	1.9
263.20142	100.0
264.20508	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	265.1807
Annotation	Tetranor-12R-HETE
Peak:m/z	Relative Intensity
54.03778	1.3
57.03321	2.2
59.01254	7.0
63.63462	1.4
68.65099	1.2
70.03246	7.0
71.01229	2.1
73.02792	1.6
77.32688	1.4
78.95765	2.5
79.95593	1.6
83.04871	1.7
85.02815	1.8
85.55175	1.5
90.67386	1.2
95.04894	1.6
96.95859	1.7
97.06459	13.5
98.19806	1.6
101.02335	1.9
113.09579	2.4
121.10112	37.2
125.05953	3.1
134.04622	2.2
135.04414	2.0
140.24252	1.2
143.07037	58.0
149.09653	2.6
149.13216	1.7
157.08597	1.9
167.10675	3.1
177.12796	3.0
179.02985	1.3
203.10672	3.5
203.17999	9.0
221.11676	2.4
221.19107	2.9
237.18489	2.9
247.13387	3.7
247.17003	46.6
248.17313	2.7
265.18066	100.0
266.18326	10.5
271.01425	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	263.1287
Annotation	Mansonone Q
Peak:m/z	Relative Intensity
59.01244	3.2
79.01759	23.3
85.02820	0.4
87.00760	1.3
95.01267	2.1
96.02077	0.6
107.04887	0.6
111.00758	2.4
111.04401	7.8
111.19257	0.4
123.00793	1.0
123.04420	0.4
124.01546	4.1
125.02248	0.4
126.03077	0.7
126.57562	0.4
133.96359	0.4
138.79846	0.4
151.00273	31.4
151.03885	5.8
152.00650	1.0
164.81583	0.4
165.05469	3.1
166.06258	27.1
167.06612	1.1
170.05725	0.5
179.03384	1.5
194.05775	49.7
195.06151	2.2
198.05258	31.7
199.05588	1.1
205.08649	0.6
263.12872	100.0
264.13190	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	263.1036
Annotation	Phenylacetylglutamine
Peak:m/z	Relative Intensity
56.97167	1.5
57.03315	3.1
58.02849	59.5
59.01252	27.2
70.02862	4.4
70.38566	2.2
70.38943	5.4
71.01250	2.6
72.00786	3.4
74.02345	37.8
79.18922	1.8
82.02879	2.3
84.04416	20.7
85.02872	2.2
86.02338	5.9
88.98165	1.5
92.04939	1.8
93.03362	3.0
98.02341	11.1
107.04916	13.3
109.03992	2.5
115.05461	1.8
116.03450	11.4
116.04945	27.1
116.05746	2.0
118.06487	21.2
119.04908	22.2
128.03426	5.1
130.06517	53.4
131.06882	1.8
132.08083	5.0
133.06470	14.1
134.05984	9.2
136.07562	16.5
142.06519	31.3
146.06026	2.2
148.07538	2.5
150.09186	6.1
159.09160	5.1
160.03952	3.5
160.07596	72.5
161.07970	3.8
164.07066	4.0
174.05562	2.5
174.09167	22.5
176.07083	2.3
177.06694	1.9
177.10234	3.0
178.08640	17.1
185.07150	2.9
186.05530	26.0
192.10210	25.5
194.08208	5.5
201.10255	17.0
203.08231	25.3
204.06665	8.6
204.08452	3.7
209.82657	2.0
218.66493	1.7
219.07774	2.8
219.11388	4.8
221.09288	12.4
222.07718	9.6
227.08168	2.5
236.09230	21.5
245.09297	38.2
246.09709	2.1
263.10382	100.0
264.10690	5.5
279.11905	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	260.1138
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84684	2.0
59.01248	100.0
71.01258	12.9
71.04880	14.9
71.52525	3.2
72.00774	5.4
88.03912	13.1
88.25223	1.9
98.02371	4.8
126.09139	19.0
128.07065	57.7
128.07967	4.3
144.02936	4.7
146.08165	11.8
156.88676	2.1
162.54205	2.0
164.44766	2.1
200.09222	36.0
218.10262	8.0
251.59538	2.1
260.11359	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	261.0184
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00558	0.4
56.34514	0.4
58.46219	0.3
66.15831	0.3
71.51291	0.4
79.95611	0.6
96.95888	100.0
97.95827	0.5
117.05441	0.4
125.09608	1.1
154.01599	0.4
185.53223	0.3
187.09727	0.9
200.84862	0.4
203.99675	0.5
234.00751	0.4
246.86549	0.4
261.01852	26.8
261.07645	0.8
261.22208	1.0
262.02158	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	263.077
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30434	3.2
59.01246	100.0
63.21998	3.4
64.27177	3.7
71.01240	6.0
71.49709	4.1
101.02349	3.9
101.36143	3.6
113.02335	5.4
121.02833	3.7
158.85240	3.9
169.96169	3.5
175.03888	4.8
179.51944	3.6
226.54353	3.7
254.99683	4.1
263.09509	6.8
263.12320	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	263.0769
Annotation	Unknow
Peak:m/z	Relative Intensity
55.63890	4.6
56.77439	4.7
59.00962	6.5
59.01246	100.0
59.68683	4.6
62.51878	4.9
71.22904	9.2
72.37267	5.3
78.56857	4.4
81.55918	4.4
91.05873	4.3
92.37681	4.0
151.58783	4.7
194.09283	4.5
198.68648	5.3
198.70424	4.4
243.63031	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	263.0771
Annotation	Unknow
Peak:m/z	Relative Intensity
57.41228	1.2
59.01248	100.0
60.01585	2.3
69.20597	1.6
69.21001	11.3
71.01227	2.0
73.02821	1.3
93.03337	1.4
113.02312	3.5
117.56879	1.1
129.91774	1.1
137.02361	1.4
143.65973	1.2
171.59642	1.3
184.71346	1.2
247.57936	1.3
251.92105	1.1
263.12860	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	259.155
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92143	2.1
57.03315	3.2
59.01253	52.0
71.01366	2.0
71.50483	4.1
74.02339	2.5
78.95788	2.6
83.04913	3.3
85.06461	15.4
87.45179	1.9
99.08028	3.7
110.88660	1.9
119.73501	2.2
141.12767	3.2
153.12848	2.2
155.10596	2.0
171.13846	19.9
183.10135	2.5
185.11711	5.9
198.63800	1.9
199.13324	30.3
200.13593	2.8
209.11775	28.5
210.12100	2.4
217.14406	100.0
218.14688	5.5
227.12865	3.2
259.02316	3.6
259.06046	2.8
259.09695	6.0
259.15448	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	259.0224
Annotation	alpha-D-galactose 6-phosphate
Peak:m/z	Relative Intensity
59.01240	0.6
70.51482	2.0
71.01221	0.6
78.95773	89.9
83.88626	0.6
84.99655	0.5
89.42333	0.5
96.96838	100.0
98.97231	0.6
101.02294	0.9
103.93932	0.6
137.61916	0.6
138.97928	5.7
150.63237	0.6
168.98990	5.0
190.90424	0.5
199.00056	4.7
223.00133	1.1
240.91415	0.8
241.01120	3.0
258.92444	0.9
259.02222	48.4
260.02518	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0224
Annotation	alpha-D-galactose 6-phosphate
Peak:m/z	Relative Intensity
57.03330	2.4
59.01238	2.1
61.21355	1.9
65.02012	2.0
70.02811	1.9
70.84121	4.8
71.01253	5.7
78.95769	63.7
83.01233	2.2
85.02814	2.9
87.00771	3.2
96.96838	100.0
97.02763	2.4
98.07121	1.9
99.00735	5.0
111.00748	5.8
112.98666	11.7
114.01855	2.2
115.00248	3.5
129.01825	4.7
138.97884	4.7
168.98965	2.7
173.00760	2.9
175.02396	2.4
175.23631	2.5
186.18208	2.3
199.00102	2.9
241.01091	3.4
259.02252	15.5
260.07959	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	257.1755
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00458	1.8
59.01244	5.9
69.29334	8.8
69.29734	2.3
71.01253	3.1
73.02819	1.4
83.04893	1.9
94.66320	1.1
99.08022	18.4
103.05484	1.1
111.08015	1.5
113.09571	1.5
113.84423	1.0
125.02340	1.0
125.09682	1.2
127.07538	44.0
129.09105	19.1
143.10666	1.7
181.83974	1.1
189.63297	0.9
195.13805	1.1
195.17509	1.1
201.86867	1.1
211.16969	5.6
211.62383	1.2
215.52914	1.2
221.84035	1.2
237.44063	1.0
239.16463	8.4
257.04620	2.0
257.08133	1.6
257.17551	100.0
257.23825	4.7
258.17886	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	257.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03333	1.6
59.01254	1.5
62.95049	0.6
73.02850	0.8
83.04918	1.0
92.40220	0.7
96.95863	0.8
98.20292	3.7
121.02828	0.6
139.99396	0.6
167.14345	2.2
169.15977	1.0
177.12791	1.1
183.13905	0.9
195.13847	15.1
196.14215	1.5
201.71373	0.7
211.13358	4.9
213.14905	32.4
214.15199	1.9
221.84006	0.9
239.12851	15.3
240.13268	1.6
257.08157	2.2
257.13928	100.0
257.23935	3.0
258.14203	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	257.1754
Annotation	TETRADECANEDIOIC ACID
Peak:m/z	Relative Intensity
57.03323	0.8
58.00453	1.6
58.99103	0.7
59.01246	8.1
69.03301	0.9
71.01218	1.2
71.29692	0.8
71.50090	1.1
73.02796	3.6
75.43359	0.7
83.04887	1.3
95.04920	0.8
97.06472	0.9
98.23536	0.7
99.00742	1.1
99.08032	18.3
109.06463	3.6
111.08032	2.5
113.09599	1.4
123.08033	1.1
125.09605	4.1
127.07537	48.1
128.07866	2.3
129.09106	20.2
130.09496	0.9
139.07520	1.2
141.09146	1.0
143.10712	2.1
155.10709	1.1
177.16333	1.3
181.12247	1.4
195.17442	1.1
203.97290	0.9
207.10205	1.1
211.16982	4.5
213.14980	1.3
213.18539	1.0
221.15247	1.2
221.84149	1.7
225.11339	4.0
239.16512	9.3
240.16835	1.3
257.04388	0.9
257.08243	1.7
257.17542	100.0
258.17871	9.0
258.20724	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	257.0963
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49561	1.3
59.01244	3.9
68.04926	1.6
71.04876	1.3
71.50748	1.6
74.02340	71.5
75.39905	1.5
76.30212	1.1
80.04910	1.5
80.55283	1.5
83.02406	1.5
83.04919	1.4
95.02395	1.5
97.03939	3.6
99.00764	1.5
100.00267	2.2
101.90952	1.2
108.08077	3.5
109.03955	9.1
110.09641	14.2
111.05530	13.9
120.08086	1.4
122.09677	6.8
125.07101	11.6
135.05528	3.7
138.04251	3.2
150.09126	4.2
151.12292	3.9
152.05759	1.3
154.08641	2.3
164.09427	5.2
167.11777	3.2
169.06073	5.7
177.10223	2.5
179.11813	100.0
180.12091	6.2
203.97392	1.5
211.10828	25.1
223.10823	69.0
224.11115	2.1
256.23627	7.0
257.04321	2.5
257.13992	3.6
257.17413	1.9
257.23816	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	257.0963
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04914	1.0
59.01243	4.1
61.98693	1.8
68.04937	1.7
69.27940	6.8
69.28359	2.4
72.00771	1.3
74.02345	52.5
80.04939	2.5
81.04482	1.5
83.05992	1.4
87.02601	1.6
93.14886	1.1
93.55285	1.3
95.02400	1.6
97.03972	4.0
99.08037	2.3
100.00302	1.8
108.04430	1.5
108.08079	4.4
109.03950	8.9
110.09642	15.0
111.05521	13.7
112.54023	0.8
122.09644	5.6
125.07096	14.9
130.45148	1.0
133.04982	1.0
135.05534	4.7
137.07028	1.0
138.04288	2.3
150.08032	1.2
150.09111	5.1
151.12303	2.7
154.08537	1.5
164.09477	3.8
167.11815	1.2
169.06062	6.8
177.10220	1.9
177.85339	1.1
179.11813	100.0
180.12202	5.1
184.72784	1.1
211.10802	16.4
215.12833	7.5
223.10820	74.1
224.11157	4.4
230.11081	1.1
256.23572	6.3
257.14053	1.9
257.17548	1.4
257.23929	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	257.0817
Annotation	2,2-Bis(4-hydroxyphenyl)-propanoic acid
Peak:m/z	Relative Intensity
57.03318	0.8
59.01248	1.6
65.03832	2.0
71.49852	0.8
74.81446	0.7
78.23205	0.6
79.67774	0.7
81.03316	0.9
83.04898	2.4
91.27036	0.6
93.03329	11.0
95.01234	1.2
95.04906	0.7
106.04120	22.0
107.04910	48.1
108.02045	12.7
108.05219	1.9
109.02853	1.7
111.04457	1.1
121.02840	13.6
125.02367	0.9
138.02139	0.7
138.03116	3.3
146.03392	0.6
149.44797	0.7
151.03917	1.6
155.10721	0.7
171.08017	2.0
181.12083	0.7
197.11748	0.9
213.09145	75.1
214.09503	6.9
219.84285	0.7
225.11311	1.0
256.23645	3.9
257.08163	100.0
257.13840	2.7
257.17200	2.0
257.21362	1.4
257.23938	4.0
258.08490	8.0
271.40842	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	256.0825
Annotation	Unknow
Peak:m/z	Relative Intensity
53.49003	2.5
57.03352	3.9
58.02848	100.0
59.01251	56.0
65.03828	2.5
69.03288	6.7
70.02850	9.4
71.22295	5.6
72.00771	33.7
74.02346	21.6
77.67999	2.3
81.03318	5.8
84.04428	22.6
86.02340	33.8
88.82040	2.8
91.05447	4.5
93.03341	11.4
95.04901	7.6
98.02363	14.8
99.03119	10.1
107.04903	36.2
108.02063	14.9
108.04459	6.5
108.05168	3.9
109.02843	17.8
110.03624	5.3
114.01846	9.0
116.04929	4.6
117.81628	3.1
119.04906	60.2
121.02847	9.3
122.03635	3.7
123.04427	14.8
128.03391	3.2
132.04416	3.1
133.05258	4.8
134.03618	5.7
134.06000	23.7
135.03424	5.2
135.04413	68.5
136.04811	3.0
136.07596	56.0
137.02419	4.4
137.07896	3.3
138.05460	3.1
147.04416	6.6
147.09097	3.0
151.03835	3.2
151.06325	3.6
152.07042	18.9
160.04042	2.8
160.07591	3.4
163.03912	5.0
164.07069	26.4
176.07076	20.0
178.05031	6.9
178.08653	30.9
180.04184	10.6
180.06587	29.1
194.08174	7.1
196.06071	6.6
204.06572	4.1
206.08148	46.7
207.08542	4.7
222.07649	70.2
223.08087	4.5
238.07225	8.3
239.07883	4.0
253.99759	3.2
255.23247	20.3
256.08234	38.9
256.23676	39.8
257.08701	5.2
257.23642	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	255.1236
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	0.6
59.01234	1.3
61.98689	0.8
69.03302	0.6
69.58060	2.9
69.68566	0.4
71.01256	0.5
83.01260	10.4
83.04882	2.5
85.02821	0.7
93.03352	0.8
95.01265	0.5
95.04882	0.6
125.09609	1.0
137.09644	0.7
138.06784	0.6
153.09149	1.0
165.12770	0.8
169.06474	0.5
169.12282	0.5
171.10182	7.5
175.11195	0.6
183.13855	1.2
191.10666	1.0
193.12268	14.1
194.12634	0.8
209.06108	0.7
211.07614	4.4
211.13330	20.4
212.13698	1.4
217.94882	0.5
219.84384	0.5
237.14845	0.8
255.06583	2.8
255.09886	0.9
255.12422	8.0
255.16008	3.9
255.23267	100.0
256.12662	1.0
256.23590	8.1
256.26056	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.9973
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	0.4
59.01243	2.2
60.01571	0.7
68.99688	3.0
69.28918	2.4
71.01247	1.4
73.02816	0.8
75.00745	0.8
79.95606	19.2
80.96391	1.0
83.01264	0.4
93.03314	0.6
94.97940	0.4
95.95100	0.4
96.95887	100.0
97.95862	0.6
98.95479	0.9
101.02337	0.5
102.25281	0.3
105.95921	0.5
106.97958	0.4
111.00770	0.8
119.34003	0.3
122.97460	5.2
124.00627	3.2
127.98118	0.4
128.03421	1.0
129.01840	2.4
136.55550	0.3
137.02351	0.7
138.96877	0.5
152.00121	0.6
175.96660	0.4
180.96736	1.4
192.06453	0.5
208.97560	0.3
235.98578	1.0
236.99307	0.5
253.99678	11.6
254.07025	7.6
254.09518	0.7
255.00026	0.4
255.07350	0.4
255.23265	22.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.2171
Annotation	Hexadecenoic acid
Peak:m/z	Relative Intensity
66.66727	26.5
70.83703	46.2
70.84040	42.9
94.80750	28.0
206.98973	29.6
234.39337	33.1
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	253.1444
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	1.6
57.03320	5.7
58.00466	1.8
59.01249	47.3
60.99176	2.7
61.98713	1.5
65.03832	2.0
67.05404	2.1
69.03322	3.0
70.46528	4.3
71.01250	18.9
72.99172	1.6
73.02816	3.3
81.03323	2.3
83.01247	1.9
83.04897	7.7
85.02834	4.9
87.00729	2.4
89.02309	11.2
93.03306	2.4
95.04909	4.6
97.02808	2.1
97.06489	7.8
97.55228	1.4
98.03632	3.4
99.00715	1.8
99.08073	1.8
101.02317	12.7
109.06478	14.8
111.04421	3.5
111.08042	26.6
113.02321	5.9
113.09583	11.4
115.07503	2.8
119.03437	3.1
121.06435	3.9
123.04447	1.5
123.08030	3.4
125.05972	4.2
126.06710	1.3
127.07540	10.0
129.09091	2.5
135.08054	3.9
137.09621	13.5
139.07535	3.6
140.08324	3.0
141.05481	6.8
141.09108	49.8
142.09453	2.0
154.09909	9.0
155.07074	3.3
155.10658	5.1
157.08612	2.4
161.04492	6.8
163.11172	3.0
166.09918	1.6
173.13274	3.0
179.05629	2.0
181.12239	4.0
181.15863	2.8
182.92865	1.5
184.07344	8.2
185.07884	2.0
189.12764	3.5
191.14349	100.0
192.14720	8.7
192.69983	1.5
207.13777	3.8
209.15411	29.3
210.15707	3.9
217.12241	4.1
225.14922	2.4
235.13393	24.4
236.13750	1.8
253.09169	13.4
253.14430	91.2
253.21651	3.3
254.09790	1.6
254.14720	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	253.1442
Annotation	Unknow
Peak:m/z	Relative Intensity
54.85320	2.9
57.03300	11.4
58.00452	5.4
59.01245	100.0
61.98700	3.3
69.03313	8.9
69.15708	26.5
69.16120	7.2
71.01242	22.8
72.99153	2.9
73.02798	7.0
76.61679	3.0
79.95599	20.1
81.95159	4.6
83.01240	3.0
83.04884	5.7
83.22515	2.7
85.02807	11.0
87.00736	4.8
89.02310	22.8
93.06947	3.0
95.01185	2.8
95.04839	3.1
97.06464	19.6
101.02299	20.8
109.06470	13.8
111.07294	4.9
111.08028	64.9
112.08315	3.1
113.02304	11.9
113.05965	2.9
113.09631	3.2
119.03387	6.2
121.06461	6.1
125.05925	4.6
127.07519	6.9
135.08051	8.8
137.05975	4.2
137.09579	7.5
139.07510	11.0
140.30635	3.7
141.05463	81.9
141.09106	8.3
142.05864	3.9
143.07010	10.0
155.07018	12.7
155.10672	4.5
161.04463	9.7
163.11174	3.2
173.13275	9.9
191.14326	37.3
192.14600	4.0
207.13805	6.2
209.15392	11.4
217.12114	3.4
235.13361	20.6
236.13583	3.4
253.09306	29.6
253.14400	60.9
253.21509	3.9
254.14839	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	251.2014
Annotation	Hugonianene B
Peak:m/z	Relative Intensity
53.10921	0.5
59.01242	1.5
71.00465	1.1
71.01257	0.5
106.17947	0.5
121.12008	0.6
146.14716	0.5
155.53387	0.5
172.84930	0.5
172.96790	0.4
181.82616	0.5
204.14198	0.5
233.18971	0.6
251.20123	100.0
252.17993	0.9
252.20482	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	253.0502
Annotation	Chrysin
Peak:m/z	Relative Intensity
57.03321	0.2
58.03489	0.2
59.01248	5.9
61.98697	0.2
62.73655	0.2
63.02266	8.5
63.75767	0.2
64.02592	0.3
65.00193	3.2
65.01326	0.2
65.78780	0.2
69.16882	1.6
69.17288	0.4
71.01250	3.0
73.02793	0.4
79.61101	0.2
83.01244	0.7
83.04889	0.2
83.42332	0.2
84.01204	0.2
85.02821	0.9
87.00744	0.3
88.79836	0.2
89.00183	0.6
89.02316	2.5
96.95846	0.3
98.39059	0.2
101.02319	2.9
101.03832	1.0
105.27792	0.2
107.00555	0.2
107.01267	4.0
113.02334	1.3
114.88583	0.2
115.05422	0.3
118.35622	0.2
119.03388	0.7
119.04893	1.8
120.17423	0.2
121.02849	0.4
139.05424	0.5
143.04924	5.2
144.05290	0.5
145.02841	2.0
151.00266	1.0
155.04936	0.3
161.04456	1.1
165.06998	1.1
167.04889	0.8
167.06059	0.9
171.10220	0.2
179.05609	0.4
179.06961	0.2
180.05751	0.8
181.06485	1.3
183.04436	0.3
185.05966	0.9
187.03915	0.4
197.06053	0.3
208.05296	0.3
209.06018	3.6
209.07472	0.8
210.06314	0.3
211.03946	0.8
212.04236	0.3
225.05525	0.5
235.13316	1.4
253.05025	100.0
253.09302	3.3
253.14188	2.6
254.05351	8.7
254.08000	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.0558
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01239	3.3
69.62409	2.6
69.62818	3.3
72.99197	5.4
75.00726	3.9
87.00747	15.1
101.02267	1.3
105.01812	100.0
117.03360	5.7
119.04911	85.3
120.05241	4.5
121.38641	0.9
127.41589	0.8
145.01714	1.3
145.02850	18.2
146.03235	1.0
163.03912	98.5
164.04269	5.4
240.73189	0.8
251.05597	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	251.0558
Annotation	Unknow
Peak:m/z	Relative Intensity
54.71391	0.5
59.01241	2.3
65.84332	0.5
69.80254	3.1
69.99584	0.5
71.01237	0.8
72.99178	5.1
75.00739	3.5
87.00755	6.8
105.01814	100.0
106.02146	1.7
113.97762	0.6
117.03329	3.2
119.04913	35.1
120.05255	1.7
136.40559	0.6
138.10495	0.5
145.02849	14.9
145.03938	1.0
146.03218	1.1
163.03915	41.9
164.04297	2.1
166.25932	0.6
191.03502	0.7
251.05637	1.2
251.16751	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1858
Annotation	roughanic acid
Peak:m/z	Relative Intensity
51.36097	0.5
59.01258	2.9
63.44727	0.7
67.35403	0.6
70.37812	2.3
76.57274	0.5
99.77380	0.6
103.75683	0.6
205.19498	1.0
231.17686	0.7
247.16920	1.2
249.18579	100.0
250.14583	3.6
250.18916	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	250.0718
Annotation	Unknow
Peak:m/z	Relative Intensity
56.09136	1.1
57.40424	1.0
58.02851	20.9
70.02850	8.6
70.95510	2.4
70.95863	1.1
72.00783	5.9
86.97447	1.0
90.44318	1.1
91.05401	6.0
147.04425	32.4
147.06255	1.2
164.07091	100.0
165.07405	4.4
175.51509	1.1
177.19949	1.2
191.05330	1.2
195.18973	1.0
206.08176	77.0
207.08496	6.3
234.59442	1.2
247.44691	1.1
250.09181	2.1
250.14513	3.9
267.65182	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	249.1492
Annotation	6-Hydroxy-14-sesquilimonenoic acid
Peak:m/z	Relative Intensity
57.03312	2.1
57.19456	1.3
59.01244	9.8
69.03320	32.9
70.83660	2.3
70.83987	2.7
71.01247	2.1
71.04876	1.3
81.03295	1.3
83.04878	2.9
90.34401	1.3
94.51299	1.2
95.04903	3.2
97.06428	2.8
109.06444	1.7
134.07285	1.7
135.08035	2.0
137.09583	1.5
149.13275	2.4
151.11281	1.9
167.10692	2.2
187.14862	4.1
192.07458	1.7
193.12285	7.8
198.59749	1.7
205.12271	8.3
205.15900	12.2
221.15408	17.7
222.15559	2.0
231.13837	31.6
232.14041	2.8
235.47893	1.5
249.14922	100.0
250.14966	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	249.1103
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	21.6
61.98708	32.3
62.10950	5.5
65.88594	5.3
67.32009	5.6
71.50295	8.8
72.99152	5.9
92.89011	6.3
96.15134	5.6
101.02322	9.6
123.04533	6.0
127.07564	6.7
159.58080	5.7
161.40613	5.7
174.03221	6.2
177.05569	6.7
177.96681	8.4
181.12260	21.1
189.05496	5.7
191.03456	5.8
201.09015	7.4
203.10533	9.7
219.02917	6.7
219.10065	8.4
221.11592	9.0
223.13074	52.1
235.09433	13.3
237.11021	35.2
249.07588	12.0
249.08595	7.7
249.11125	89.5
249.14813	33.4
250.11801	10.8
250.14406	78.4
265.10580	12.6
265.37878	5.6
267.12125	100.0
268.12433	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	247.1699
Annotation	4-Methoxy-1,9-cadinadien-3-one
Peak:m/z	Relative Intensity
59.01254	0.1
65.98045	0.1
70.79606	0.2
70.79961	0.3
71.01247	0.9
72.54151	0.1
78.68180	0.1
103.03888	0.4
111.08008	0.2
132.24950	0.2
137.41296	0.1
147.08066	0.2
151.23097	0.1
184.00090	1.0
186.95596	0.2
205.15976	0.4
220.17009	0.4
231.13867	0.6
241.85930	0.2
247.16997	100.0
248.08035	1.1
248.17339	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	248.0562
Annotation	Unknow
Peak:m/z	Relative Intensity
55.22240	0.4
70.67257	1.2
87.35312	0.5
96.79816	0.4
100.47018	0.4
101.03857	0.8
116.04930	2.4
118.06512	100.0
119.06859	5.2
133.06496	0.7
160.07600	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	245.1391
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	1.9
59.01250	64.1
60.01559	1.3
61.98703	2.6
63.10390	0.9
64.64801	0.8
71.52446	0.9
78.95761	1.2
85.02821	18.2
99.08033	5.8
127.11173	7.2
139.11188	12.5
140.11497	0.9
150.28966	0.9
155.10670	2.3
157.12241	23.0
158.12653	1.5
167.10664	1.3
174.03159	1.8
175.03859	1.1
185.10014	2.1
185.11749	91.1
186.12117	6.9
203.12820	100.0
204.13145	6.9
206.02101	1.1
221.05348	1.2
227.11731	1.2
235.23839	1.0
245.04329	2.1
245.08221	8.2
245.14040	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	245.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	35.5
70.97354	0.6
70.98553	1.1
141.12759	1.0
151.28255	0.5
165.12762	4.1
166.05023	3.7
166.13165	0.7
167.10670	0.7
175.03987	0.7
183.13823	31.4
184.14223	3.0
185.11749	100.0
186.12115	6.8
199.13326	1.7
215.12730	0.7
227.07248	0.9
227.12833	11.1
228.13205	1.3
245.08493	3.6
245.13911	65.5
246.00890	0.7
246.14240	6.8
254.70552	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.0929
Annotation	N-Acetyl-D-tryptophan
Peak:m/z	Relative Intensity
58.02563	1.6
58.02845	24.2
59.01235	1.3
61.98679	1.6
66.03176	1.1
68.22150	0.9
69.81739	5.6
70.02852	18.3
72.00790	6.7
72.04420	3.2
72.99178	1.7
74.02341	100.0
85.02837	1.6
98.02348	23.5
98.20281	2.7
116.03421	31.2
116.04937	40.7
117.05278	1.8
130.06522	4.0
130.77992	1.3
139.07549	1.2
139.38943	1.1
142.06519	10.0
143.06909	1.2
153.20735	1.0
159.09207	6.6
183.09160	1.5
186.05534	1.8
201.10219	10.0
203.08199	86.6
204.08478	5.3
245.09311	72.0
246.09700	6.8
258.06934	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	245.1392
Annotation	CHEBI:78812
Peak:m/z	Relative Intensity
57.03319	1.9
59.01231	0.4
70.50546	1.2
71.04876	0.6
73.02810	0.8
77.48440	0.3
81.42585	0.3
83.04899	1.3
93.97857	0.4
97.06461	1.4
101.36058	0.4
111.08051	2.6
121.79831	0.3
125.09596	1.0
128.43570	0.5
153.12839	0.5
155.14297	1.7
159.70155	0.5
163.11203	0.6
165.12764	19.1
166.13084	1.6
171.10109	0.5
175.49323	0.4
179.06364	0.3
181.12238	0.9
183.13832	18.6
184.14127	1.7
199.13385	1.1
201.14903	9.1
202.15282	0.9
209.11771	13.0
210.12096	0.8
225.11301	1.1
227.12834	54.4
228.13191	4.6
243.12332	0.8
245.13907	100.0
246.14215	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	245.0431
Annotation	Glycerophosphoglycerol
Peak:m/z	Relative Intensity
57.67006	9.6
59.01250	63.4
68.89693	9.6
71.01257	28.9
71.49713	16.4
72.99189	14.5
78.95787	77.5
83.01230	11.4
83.69641	11.4
85.27467	9.5
89.02333	31.4
94.92406	15.6
101.02328	69.2
119.03394	100.0
122.04140	10.4
152.99519	55.9
154.89195	10.1
171.00545	19.6
197.83827	10.6
209.06618	20.7
245.04271	45.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1599
Annotation	TRIDECANEDIOIC ACID
Peak:m/z	Relative Intensity
50.93097	0.6
57.03322	2.9
58.91506	0.6
59.01234	2.3
65.01304	0.9
69.03307	1.2
69.15354	6.3
72.99146	1.3
82.02851	0.7
83.04885	0.6
85.02793	0.6
85.99168	0.7
108.04421	0.8
110.02355	3.5
111.38746	0.6
112.60167	0.6
125.09560	1.0
127.11267	0.9
134.03473	0.9
139.11177	2.3
152.03452	0.7
153.12703	0.7
155.10696	1.6
155.14308	1.9
163.11224	0.7
169.12262	2.5
171.10172	6.9
173.82185	0.7
181.12279	3.5
181.15964	0.8
185.11873	0.8
195.13824	9.8
196.14047	0.9
197.11734	1.5
199.13330	100.0
200.05605	1.1
200.13667	8.0
207.10118	0.8
207.13858	1.2
213.14896	3.7
215.12811	2.4
225.11247	2.7
225.14911	10.4
226.15245	1.1
228.30617	0.5
241.14709	0.6
243.02933	1.0
243.06477	2.7
243.12337	16.6
243.15987	78.9
244.06006	0.9
244.12695	2.0
244.16330	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	243.1597
Annotation	Unknow
Peak:m/z	Relative Intensity
57.27237	2.4
59.01244	7.4
61.98703	37.7
67.22604	2.7
69.03917	2.7
71.01231	3.9
71.50466	3.2
80.00047	2.4
82.02862	8.0
93.41088	2.3
99.00727	2.6
110.02361	24.1
122.02353	3.2
152.03407	4.2
183.13785	9.3
197.90526	8.3
199.13341	2.6
200.05525	7.1
207.10278	3.0
209.07364	2.4
211.13339	100.0
212.13693	7.7
225.11272	7.9
226.11694	3.0
228.04243	2.4
243.02834	3.9
243.06583	12.0
243.12303	16.6
243.15952	6.3
243.89948	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1599
Annotation	TRIDECANEDIOIC ACID
Peak:m/z	Relative Intensity
54.07069	0.5
57.03317	3.6
59.01241	1.5
61.98711	0.9
65.01314	0.7
67.53545	0.6
69.03323	1.1
71.01262	0.8
71.50211	0.7
72.99177	0.8
74.05910	0.6
75.00239	0.5
75.00732	0.6
82.02846	0.6
83.04906	0.8
87.04386	1.3
101.88438	0.5
110.02334	1.5
120.75697	0.5
125.09604	1.0
125.59023	0.5
127.11198	1.0
133.69174	0.5
137.09637	0.6
139.11244	3.1
153.02965	0.5
155.10666	2.8
155.14314	2.0
160.05090	0.6
168.88091	0.6
169.12228	2.5
171.10176	7.6
181.12244	2.7
183.10289	0.6
185.11780	0.7
195.13831	12.7
196.14140	1.0
197.11725	1.1
199.13332	100.0
200.05600	0.8
200.13669	9.2
207.10246	0.8
207.13919	1.3
213.14917	4.1
215.12851	2.0
225.11307	2.4
225.14917	14.5
226.11714	0.7
226.15256	1.6
243.06638	1.3
243.12404	14.7
243.15991	96.9
244.12605	1.2
244.16342	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	243.1235
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	2.6
59.01236	1.5
61.98692	0.5
66.03346	0.4
68.05171	0.3
69.03325	1.0
71.04040	0.7
71.04357	0.3
72.21451	0.3
72.99171	0.5
73.02808	0.4
73.27783	0.4
75.00717	0.5
82.02857	0.6
83.04888	0.8
84.81094	0.3
85.02813	0.4
87.04393	1.0
90.45715	0.3
110.02311	1.9
111.00758	0.5
120.44804	0.3
125.09647	0.7
127.11169	0.9
139.11172	2.9
141.12755	1.0
148.05109	0.4
153.12753	0.8
155.10674	2.2
155.14287	2.2
156.14651	0.3
160.04980	0.3
169.12260	2.6
171.10161	4.6
172.60616	0.4
181.12241	2.9
183.10271	0.3
185.11671	0.5
195.13824	7.1
196.14233	0.4
197.11740	0.8
197.15395	0.4
199.13326	100.0
200.05518	0.8
200.13670	8.9
201.11224	0.3
205.72708	0.4
207.13858	1.0
213.14891	3.1
215.12828	2.6
224.28970	0.4
225.11322	1.4
225.14915	7.8
226.15085	0.4
243.06427	1.3
243.12338	15.0
243.15977	56.3
244.12671	0.9
244.16342	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	243.1236
Annotation	Pandangolide 1
Peak:m/z	Relative Intensity
52.18346	1.3
59.01229	2.6
63.12749	1.5
63.13087	1.4
70.63298	3.1
71.01270	1.7
71.04895	4.5
74.29783	1.4
82.02843	2.3
83.04884	2.4
85.02825	2.0
89.03025	1.4
97.02827	7.9
97.06482	2.3
99.00758	26.5
105.04412	1.9
106.04018	2.4
109.06485	3.5
110.02364	6.4
115.20823	1.6
125.09590	10.9
127.98520	1.5
135.08026	1.6
136.05228	2.5
142.02615	3.6
154.57050	1.5
155.14339	3.4
157.04959	1.4
160.04863	1.5
163.11185	8.8
164.11546	1.7
179.10701	2.0
181.12256	28.5
199.13297	22.6
200.13644	2.5
207.10196	55.1
208.10558	4.6
225.11272	100.0
226.11664	7.5
243.06503	2.9
243.12340	84.4
244.12634	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1236
Annotation	9-Hydroxyhexylitaconic acid
Peak:m/z	Relative Intensity
52.55859	0.5
54.98318	0.6
56.04887	0.7
56.56198	0.6
57.03315	2.8
59.01236	1.7
61.98698	1.0
64.04585	0.6
65.01334	0.7
69.03316	1.1
71.01235	0.8
71.50068	0.6
75.00742	1.0
82.02805	0.8
83.55569	0.6
97.02854	0.7
110.02364	3.5
118.81010	0.6
125.09646	0.7
139.11168	2.6
141.12643	0.8
153.12720	0.8
154.66170	0.6
155.10704	1.7
155.14317	1.8
163.11270	1.1
169.12262	2.7
171.10175	4.4
178.30969	0.6
181.12318	3.4
183.10204	0.8
185.11662	0.7
195.13802	4.2
197.11833	0.9
199.13327	100.0
200.05600	1.0
200.13678	8.3
207.10100	0.8
213.14871	1.8
215.12840	2.3
225.11307	2.1
225.14919	4.9
243.06468	2.2
243.12340	16.1
243.15981	38.5
244.12650	1.9
244.16299	3.5
263.21667	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1235
Annotation	Pandangolide 1
Peak:m/z	Relative Intensity
57.03334	0.6
59.01243	1.2
61.98734	0.6
65.01318	0.6
65.01675	0.5
69.54871	3.1
69.55288	1.2
71.04890	3.2
83.04898	1.2
85.16714	0.5
89.74043	0.6
89.82162	0.6
97.02812	4.0
97.06477	1.4
99.00758	17.4
109.06484	1.2
110.02378	1.5
110.03600	2.0
123.08031	0.8
125.09601	6.4
142.02582	1.1
146.56671	0.8
155.14296	2.3
163.11171	5.6
163.17479	0.7
181.12273	14.4
182.12529	1.0
195.66989	0.7
197.11671	0.7
199.13321	10.0
200.13728	0.8
202.10983	0.6
207.10194	33.3
208.10529	2.6
225.11264	66.3
226.11635	6.0
243.12338	100.0
244.12683	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	243.1235
Annotation	Pandangolide 1
Peak:m/z	Relative Intensity
50.05793	0.4
56.35015	0.5
57.03316	1.3
59.01245	2.7
69.71501	3.0
71.01250	1.8
71.04882	3.1
72.99180	0.5
74.02336	0.8
74.27832	0.4
83.04901	1.3
95.04897	0.5
95.45754	0.4
96.95914	1.1
97.02830	5.1
97.06467	1.3
98.19922	0.7
99.00747	12.1
109.06459	1.0
110.02368	1.1
110.03621	1.3
114.19206	0.5
125.09605	4.6
127.11177	3.9
135.08076	0.8
136.05167	0.5
139.11143	1.4
142.02617	1.7
153.12724	1.2
155.14314	1.5
163.11195	6.6
171.10181	1.4
173.91919	0.5
181.12251	19.2
182.12569	1.3
183.10168	1.6
197.11777	3.1
199.13327	48.2
200.05586	0.5
200.13667	4.1
207.10188	32.1
208.10536	2.6
225.11264	69.8
226.11615	6.4
243.12332	100.0
244.12672	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	243.0619
Annotation	Uridine
Peak:m/z	Relative Intensity
59.01239	4.9
66.03358	8.5
68.01289	2.6
71.49509	3.6
82.02853	18.9
108.04466	2.6
110.02361	100.0
111.01871	5.9
111.02642	3.8
112.98613	3.4
116.38223	1.9
122.02330	6.1
124.03899	2.8
124.27415	2.0
140.03416	9.0
142.99782	3.9
152.03453	15.3
153.02962	12.3
173.00826	6.1
200.05568	43.2
205.03531	2.0
243.06235	31.1
243.12282	4.3
243.16055	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	242.0125
Annotation	Unknow
Peak:m/z	Relative Intensity
63.11604	2.6
68.93603	2.6
69.75459	14.0
69.75866	4.1
84.49958	2.7
85.63881	2.7
95.97516	2.7
110.02372	7.8
113.84890	2.6
119.04905	50.0
120.04456	3.7
162.05510	100.0
163.05798	8.2
200.05478	3.0
208.05632	2.9
225.11377	4.2
231.44609	3.0
242.01205	15.0
242.17670	4.6
243.12375	6.3
243.15868	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	241.1441
Annotation	Unknow
Peak:m/z	Relative Intensity
54.78748	0.8
57.03305	2.6
59.01246	2.3
61.98687	1.3
67.68915	0.8
69.77306	5.3
72.08128	1.0
79.59988	1.0
83.04883	5.3
95.04904	1.6
97.06470	10.0
98.20573	0.9
108.02038	1.8
109.06492	1.3
111.08028	10.3
122.33670	0.8
123.04410	1.2
147.11710	1.0
163.11176	2.6
165.12753	100.0
166.13087	9.1
181.15915	1.0
197.13663	1.5
197.15401	21.3
198.15636	1.2
201.35573	0.9
209.11699	4.8
210.91345	0.9
227.12862	1.7
241.05034	1.5
241.07208	1.4
241.14397	7.7
241.18092	4.8
241.21622	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	241.119
Annotation	Unknow
Peak:m/z	Relative Intensity
55.79815	0.8
57.03293	0.8
57.45405	0.9
58.02831	1.5
59.01249	2.3
61.56076	1.0
70.02857	4.2
71.51084	1.5
82.02851	25.9
82.06482	1.3
83.03204	1.4
84.00760	0.9
84.04421	3.2
95.75875	0.9
96.04430	1.3
96.96252	0.8
108.02033	3.0
109.15974	0.8
110.02362	2.4
112.03925	5.0
114.09105	1.1
114.72035	0.9
123.04432	0.9
126.09126	3.0
127.05029	5.4
130.08620	10.3
141.10222	17.8
168.08961	2.6
169.09831	1.1
169.13338	1.5
173.15118	0.9
185.00911	0.9
197.12886	75.7
198.13272	6.6
235.19406	0.9
241.11919	100.0
241.14162	4.4
241.21724	3.3
242.12216	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	239.1284
Annotation	5OH-HIP
Peak:m/z	Relative Intensity
59.01244	5.3
69.62522	1.1
69.62953	2.0
79.18507	0.4
98.29920	0.5
106.04150	0.6
161.04430	0.7
177.12814	3.3
179.05592	2.8
181.47827	0.5
195.13831	100.0
196.14188	8.6
203.10629	0.5
239.12859	8.9
240.13199	0.8
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
52.15513	0.9
57.03305	2.9
59.01242	3.9
60.89177	1.0
61.98693	3.0
65.01316	1.1
69.03316	4.4
70.26324	3.5
71.04888	4.2
81.03333	2.9
83.04900	17.3
84.24364	0.9
108.02065	3.9
123.04372	2.5
123.08044	1.6
125.02367	1.0
125.09559	1.8
137.09648	1.4
153.12755	2.6
161.09624	2.2
179.10703	7.0
181.06081	1.2
195.13576	1.1
195.15067	1.5
197.11765	100.0
198.12100	8.5
199.09807	1.2
213.16104	4.5
223.09703	4.3
223.13159	1.2
241.05170	2.0
241.10765	78.3
241.14270	8.2
241.17981	2.2
241.21774	2.6
242.11095	6.7
263.17459	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.0593
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03330	0.3
58.51911	0.3
59.01246	9.2
61.88028	0.3
62.96713	0.3
71.08566	0.7
74.98941	11.2
75.98908	0.3
85.02826	0.3
87.00745	1.2
91.01547	0.6
91.02086	9.4
93.00004	4.4
99.00739	0.3
112.99809	0.3
117.01826	0.5
120.71256	0.3
125.02348	0.3
141.01869	0.3
141.80928	0.3
149.00856	4.3
150.98805	0.3
161.04442	1.5
162.90082	0.3
179.05515	5.7
195.13832	0.5
203.97253	0.4
206.99596	2.7
223.02774	100.0
224.02821	12.6
239.05914	1.1
239.09341	0.3
239.12897	0.5
239.16559	0.5
241.03801	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	239.0921
Annotation	CMPF
Peak:m/z	Relative Intensity
56.05322	0.7
57.03323	1.4
58.88792	0.7
59.01250	100.0
59.61071	0.7
60.01590	1.4
71.51238	1.1
81.03338	1.8
82.72477	0.7
83.04910	0.9
84.65656	0.8
85.02834	1.9
87.00761	3.2
95.04894	1.4
97.06476	2.3
109.06480	2.8
125.02396	1.0
133.06477	0.9
135.08049	2.6
141.05444	6.8
151.11198	2.3
161.04451	3.3
177.09132	2.5
179.05542	13.7
179.06999	1.6
195.10201	23.6
195.13847	0.9
196.10515	1.9
221.07977	1.1
239.09200	15.1
239.12784	1.0
240.09569	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	238.1445
Annotation	Unknow
Peak:m/z	Relative Intensity
54.53996	2.1
57.03321	4.4
59.01250	100.0
61.98696	3.9
69.03323	2.7
69.45972	16.6
71.01248	2.5
84.33473	1.9
85.02810	6.1
87.00748	16.2
87.89256	2.0
97.02805	2.6
99.00755	3.8
101.02353	2.0
113.02351	3.2
117.01852	4.9
123.08116	2.3
125.02316	3.7
141.01834	3.3
154.80632	2.2
159.02808	2.1
161.04431	13.7
177.12796	2.5
179.05531	67.3
183.13774	5.7
195.13835	62.1
211.13335	74.8
212.13676	8.2
228.52258	1.9
238.15314	9.3
239.12904	10.7
239.16513	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	238.0022
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	5.3
62.93501	0.3
70.66598	0.4
70.66956	0.7
71.01252	2.7
71.04900	0.5
73.02817	0.5
79.95621	0.7
85.02820	0.4
87.00765	1.1
96.95885	100.0
97.95797	0.6
98.95464	1.4
113.02299	0.5
131.03384	1.2
146.08125	2.8
153.99477	0.3
161.04539	0.4
179.05511	4.0
210.99173	1.4
222.31136	0.3
238.00224	39.5
238.07375	0.6
239.00497	1.8
239.12775	0.5
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
50.14003	0.8
57.03313	1.1
57.97321	0.8
59.01246	7.4
61.98697	1.1
67.64423	0.8
69.03314	1.2
69.17844	5.7
69.18275	3.3
69.76242	0.8
71.01237	3.0
71.04890	21.4
73.02850	0.8
81.50506	0.9
85.02808	1.6
97.06460	9.0
109.06460	0.8
111.08022	1.4
113.02361	0.9
116.37993	0.8
116.76876	0.8
117.88978	0.9
118.02773	0.8
121.10123	1.1
130.41493	0.8
153.09070	3.6
165.09097	3.0
175.14838	2.0
191.14249	1.7
193.12122	1.2
193.15863	7.9
194.05869	1.1
194.16234	1.1
209.15407	32.1
210.15686	3.0
211.60677	0.9
219.13852	16.9
220.14191	2.7
237.11006	3.0
237.14919	100.0
238.15219	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	237.1492
Annotation	Rumphellolide C
Peak:m/z	Relative Intensity
59.01247	72.6
59.45044	1.8
61.98671	2.2
67.32194	1.7
69.03324	35.0
69.45139	14.1
71.01246	4.3
78.14059	1.8
85.02837	2.1
87.36124	1.9
97.06466	74.1
98.06764	2.7
101.02312	2.9
121.10101	9.4
123.08046	86.2
123.08943	4.4
124.08407	2.5
138.14966	1.8
139.07545	9.9
147.11697	18.5
161.04584	1.8
167.07045	9.5
175.14806	15.8
179.10538	1.9
193.15895	3.1
200.06866	3.1
215.00475	2.0
219.13901	10.0
237.14911	100.0
238.15224	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	236.105
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	0.7
61.98697	0.4
69.85986	1.3
70.57590	0.3
71.04872	0.4
72.90505	0.3
83.19476	0.3
92.13333	0.4
97.06478	0.4
101.02361	0.4
114.62968	0.3
125.75749	0.3
134.03647	0.7
135.04395	0.4
136.05193	0.4
148.05191	9.4
148.06390	0.5
149.05797	0.6
149.09622	1.2
149.89200	0.3
162.06767	0.5
176.08348	0.8
177.09120	44.9
178.09448	3.8
190.09900	2.2
191.10692	0.8
192.11476	32.3
193.11923	3.6
193.15854	0.5
203.07149	0.4
209.15419	0.8
217.08629	3.3
218.09413	10.3
219.09737	0.7
219.13988	0.7
236.10487	100.0
237.10890	10.3
237.14781	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	233.103
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	18.8
60.97380	0.9
60.99183	0.4
67.01765	0.8
67.16497	0.3
70.71827	0.5
70.72173	0.6
71.01253	0.5
74.98938	7.3
75.00744	1.3
75.96143	0.3
78.80813	0.3
84.78594	0.3
87.00730	0.5
89.02332	0.4
91.02098	1.1
93.00005	4.0
93.03345	4.4
111.04401	1.0
118.96131	0.7
123.03137	0.4
134.99284	7.9
136.97203	2.8
141.07288	0.6
143.05138	0.4
149.00859	71.4
150.00822	5.1
150.98770	1.6
159.08354	2.2
161.06305	4.1
172.97488	0.5
173.04497	4.8
188.98430	0.8
190.98729	0.6
191.05495	0.5
215.05574	1.5
217.07155	95.0
218.07309	11.0
233.10298	100.0
233.15353	21.6
234.10440	12.9
234.15675	2.5
235.08237	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.2113
Annotation	Aplotaxene
Peak:m/z	Relative Intensity
52.75981	2.0
59.01264	3.5
66.03363	2.9
67.71342	2.1
70.79947	7.0
78.55941	2.1
93.04187	2.1
94.51823	1.9
187.07574	2.4
231.02937	3.6
231.06522	7.3
231.17613	4.8
231.21132	100.0
232.21442	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	233.0298
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	2.8
59.01250	59.1
67.01755	3.4
71.01254	12.2
71.04620	2.8
73.02821	1.6
83.01260	2.0
85.02821	2.5
87.00763	1.2
93.03336	13.3
94.24889	1.5
99.00761	3.1
111.00758	2.1
111.04431	1.6
115.00227	1.5
121.02747	1.4
129.01820	5.9
173.04489	12.9
201.02319	1.4
233.04587	2.4
233.06442	2.5
233.15422	100.0
234.15755	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	231.1598
Annotation	SCHEMBL4748090
Peak:m/z	Relative Intensity
57.03321	1.5
59.49054	0.2
69.40891	0.7
69.41321	0.7
85.02826	0.2
87.04368	0.3
102.93305	0.2
109.03980	0.2
125.09600	0.3
127.11185	2.5
128.11435	0.2
155.14294	0.6
167.14323	0.3
171.10185	4.4
171.11589	0.2
172.10452	0.2
183.13765	0.3
185.15379	0.4
195.13875	0.6
211.13448	0.2
213.14909	4.7
214.15288	0.5
229.14439	2.9
230.14670	0.3
231.15974	100.0
232.16316	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	231.1598
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96384	0.2
54.68459	0.2
57.03324	0.3
59.01239	0.2
71.38365	0.2
120.31662	0.2
120.78505	0.2
139.11212	0.4
141.12744	3.9
149.57588	0.2
155.14357	1.1
156.14685	0.3
157.12195	0.2
183.13808	3.4
184.14249	0.3
185.11749	7.6
186.12054	0.6
187.09668	0.4
195.13873	0.6
199.13333	1.3
208.42674	0.2
211.13347	2.7
213.14903	4.0
213.16821	0.4
231.15968	100.0
232.16310	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	230.0665
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12590	6.0
58.02837	10.8
59.01249	100.0
66.82935	6.2
68.01283	5.8
70.91161	12.1
70.91505	11.6
71.01247	26.5
90.58221	6.5
94.15558	7.0
104.65746	6.2
107.04923	6.9
112.19039	5.8
116.04989	6.2
119.04911	32.1
121.02843	12.3
122.03522	7.7
134.06085	10.0
141.25247	6.9
144.04491	8.8
145.02815	17.3
147.03210	11.5
147.04410	48.5
172.03928	28.6
189.06546	19.1
203.03610	9.0
230.15289	10.3
231.06685	20.2
231.07910	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	229.1443
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	4.9
61.98693	0.4
69.03331	0.6
70.37361	1.4
71.01266	0.5
83.04884	0.8
97.06499	0.5
149.13295	0.7
155.14359	0.5
163.11143	0.5
167.14267	0.7
169.10820	0.7
169.12256	12.6
170.12556	0.7
175.11243	0.4
181.12279	4.8
183.13852	1.3
185.11800	3.2
193.12274	7.4
194.12602	1.2
199.13374	3.0
203.05771	0.5
211.13359	22.1
212.13654	1.3
227.12825	1.2
229.14415	100.0
230.14774	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	230.0667
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50717	2.5
59.00959	5.7
59.01250	100.0
65.99725	2.9
67.79160	2.7
68.01277	12.1
71.01259	8.9
71.50574	3.8
99.06588	2.9
101.02377	3.2
112.22425	2.9
113.02285	2.6
160.05020	4.7
161.04587	3.2
171.10300	4.2
174.05917	2.7
197.48886	3.0
203.05577	5.5
230.06802	4.3
231.13815	2.6
231.15916	57.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.144
Annotation	Dodecanedioic acid
Peak:m/z	Relative Intensity
52.47377	0.4
52.65418	0.4
53.04223	0.4
57.03321	0.9
69.54073	2.1
69.54486	0.9
71.04913	0.4
79.77376	0.4
83.01256	0.4
83.04884	0.8
84.02027	0.5
85.02814	1.0
98.20537	0.9
106.03972	0.6
125.09651	2.7
127.11177	3.6
155.14391	0.7
165.12729	0.7
166.35635	0.5
167.14316	2.7
171.10172	3.7
183.13817	1.8
185.11751	2.7
193.12163	0.8
209.11745	3.8
209.96977	0.4
211.13335	18.3
212.13695	1.1
213.44286	0.4
229.14400	100.0
230.14711	9.6
230.16852	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.144
Annotation	Dodecanedioic acid
Peak:m/z	Relative Intensity
50.06834	0.5
57.03335	0.9
71.07784	0.9
102.13844	0.5
139.11162	0.7
165.12668	0.8
167.14317	37.0
168.13226	0.6
168.14612	3.2
185.15352	0.9
211.13335	49.0
212.13684	4.7
229.14400	100.0
230.14755	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	229.144
Annotation	Dodecanedioic acid
Peak:m/z	Relative Intensity
54.47146	0.6
57.03323	1.5
59.01245	1.3
61.98683	0.8
65.01311	1.6
65.99720	1.0
66.41569	0.6
71.04877	0.8
76.34447	0.6
81.03309	0.6
83.04880	0.8
84.02030	1.2
87.00735	0.9
97.06453	0.9
106.03999	1.1
116.39090	0.6
117.04486	0.7
125.09621	4.3
127.11182	4.0
132.05579	0.7
133.03996	0.6
133.27158	0.7
155.14296	2.7
160.05009	1.0
165.12764	0.7
167.14311	2.5
187.06128	0.7
201.05612	0.7
209.11810	2.1
211.13307	3.9
212.13615	0.7
227.12718	0.7
229.05112	1.4
229.14404	100.0
230.14761	9.9
247.22888	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1442
Annotation	Dodecanedioic acid
Peak:m/z	Relative Intensity
56.86084	0.6
57.03305	1.0
59.01233	1.9
69.03306	1.1
70.79261	1.4
70.79602	0.9
77.00629	0.7
83.04900	1.1
111.62924	0.7
125.09612	2.2
127.11176	2.8
155.14259	1.1
165.12762	0.7
167.14359	1.0
169.12222	3.1
171.10165	2.2
181.12291	0.9
183.13835	5.9
185.11760	21.6
186.12067	2.0
193.12314	3.2
199.13319	3.0
209.11771	1.7
211.13342	49.0
212.13632	4.0
229.14413	100.0
230.14711	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	227.1285
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03295	0.7
59.01237	1.0
65.01321	0.8
70.59113	1.9
71.04894	0.9
80.02543	2.0
81.03334	2.6
83.01237	0.6
83.04897	7.8
84.02030	3.6
86.84965	0.6
93.03311	1.0
95.04916	1.8
97.06482	1.0
106.03983	0.9
108.02157	0.7
109.02859	1.0
116.02439	0.9
125.05992	1.3
130.03955	1.1
137.02429	0.7
139.11234	0.6
145.05119	0.6
157.05107	1.4
158.07117	0.7
159.06584	0.8
163.11182	6.1
165.12744	5.0
181.12224	1.2
183.13844	5.3
187.06183	0.7
191.10689	1.4
199.13287	3.3
201.07722	1.4
209.11772	100.0
210.12115	9.1
220.86151	0.6
227.07298	0.9
227.09291	1.2
227.12842	12.1
227.16525	1.6
227.20113	3.6
228.13095	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1079
Annotation	Caiophoraenin
Peak:m/z	Relative Intensity
57.03325	4.3
59.01234	0.9
61.98698	0.8
65.01310	0.8
65.99729	0.4
69.03332	1.6
71.50069	0.6
72.99175	1.0
73.02809	0.4
74.69633	0.4
75.00754	0.5
82.10552	0.4
91.02901	0.6
91.40182	0.4
97.06486	0.8
111.08083	0.5
118.93112	0.4
119.47517	0.4
123.08051	0.7
125.09627	4.2
127.11148	1.5
139.11163	1.6
141.12755	4.3
155.09564	0.6
155.10695	1.0
159.06789	0.4
160.05087	0.7
167.10693	3.8
171.10243	0.5
185.11755	100.0
186.12123	8.0
201.11305	1.7
211.13316	1.3
229.05019	0.6
229.10776	13.1
229.14401	6.8
230.11076	0.8
230.15044	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1285
Annotation	Unknow
Peak:m/z	Relative Intensity
54.71046	1.1
55.19843	1.2
58.00465	9.2
59.01243	8.1
69.26659	5.9
69.27088	4.4
71.01237	2.0
71.04292	1.2
71.04874	1.0
72.99201	1.9
73.02821	2.2
80.02544	2.3
82.38223	1.2
83.04880	7.1
83.98335	1.0
84.02023	4.3
93.03333	1.1
97.06460	1.5
98.20577	2.6
103.37910	1.0
108.72108	1.1
135.08124	1.8
139.11116	1.9
141.12717	5.1
153.12769	1.9
155.14320	1.9
163.11211	5.9
165.12724	8.5
167.10654	1.2
169.12300	9.0
171.13771	3.1
181.12273	5.6
183.13870	8.7
191.10669	2.8
197.11745	1.7
199.13322	67.3
200.13591	6.0
209.11766	90.7
210.12100	6.3
227.12836	100.0
227.19897	2.3
228.13179	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	227.1284
Annotation	Traumatic acid
Peak:m/z	Relative Intensity
57.03301	2.1
58.00464	2.0
59.01233	2.8
61.98679	1.6
71.01254	2.4
71.04915	1.4
71.50019	1.6
73.02840	1.7
74.76102	1.2
78.99079	1.5
80.02555	1.4
81.03344	2.2
83.04905	7.1
83.05319	1.4
84.02038	2.8
92.41112	1.3
93.03333	1.9
99.92423	1.8
109.06483	1.5
111.00695	1.6
111.08051	2.9
132.05708	1.6
137.02388	1.5
139.11189	3.0
152.56615	1.4
163.11189	6.3
165.12769	19.9
169.12241	1.9
181.12260	2.0
183.13840	83.0
184.14156	5.5
191.10715	3.6
199.13272	9.9
208.93332	1.5
209.11775	100.0
210.12132	9.8
227.03500	2.9
227.07179	2.9
227.09216	4.0
227.12834	47.9
227.16220	6.3
227.20067	12.2
228.13196	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	227.1284
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03331	0.4
57.08477	0.3
61.99123	0.3
63.87376	0.3
65.01307	0.6
71.04887	0.8
71.52090	0.7
80.02547	1.7
81.03322	3.0
83.01248	0.6
83.04892	7.0
84.02034	3.1
87.36556	0.4
95.04893	0.8
99.92432	0.5
106.04060	0.6
111.00830	0.4
111.08097	0.4
125.05972	1.0
125.09608	0.5
128.03415	0.5
131.20340	0.5
135.08034	0.9
142.04045	0.4
147.11664	0.6
157.84764	0.4
163.11182	5.0
164.11584	0.4
165.12743	4.7
181.12236	1.0
183.13878	2.8
191.10684	1.6
199.13327	0.7
209.11760	100.0
210.12100	9.8
227.09329	0.5
227.12843	4.9
227.16447	0.6
227.20049	2.0
228.08885	0.6
228.13234	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1283
Annotation	Traumatic Acid
Peak:m/z	Relative Intensity
54.02498	0.3
57.03323	0.4
70.93718	0.6
83.04918	0.4
86.47450	0.3
111.08068	0.9
136.98944	0.3
165.12747	19.3
166.13133	1.3
181.12384	0.3
183.13818	100.0
184.14163	8.8
209.11703	1.6
227.12827	17.5
227.20049	0.3
228.13181	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1284
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05780	0.4
57.03330	0.5
62.34022	0.4
70.61824	1.0
70.62167	0.8
72.43845	0.5
94.70993	0.5
103.61250	0.5
111.08091	0.6
156.78320	0.5
165.12758	18.2
166.13101	1.7
172.73312	0.4
180.27869	0.4
183.13828	100.0
184.14154	9.8
209.11745	1.2
227.12836	17.3
228.13179	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	227.1285
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09755	1.2
57.03312	2.4
59.01236	3.5
61.98688	1.5
65.01317	3.2
65.99731	1.7
69.68081	3.2
69.68490	4.9
71.04893	1.8
76.19364	1.2
81.03327	3.7
82.69443	1.5
83.04923	2.8
90.17166	1.3
93.03320	1.6
97.02873	1.2
98.20554	1.6
99.92441	2.5
106.03999	1.4
111.08041	4.9
123.04414	1.3
134.25938	1.3
137.02330	1.7
139.03876	1.8
153.01884	1.2
163.11151	1.8
165.12772	25.4
166.13089	2.0
167.03409	2.1
180.83005	1.5
183.13828	34.6
184.14223	2.2
194.82065	1.4
209.11774	20.8
210.12128	2.0
227.03365	3.4
227.05458	3.4
227.07281	3.3
227.12849	100.0
227.16505	5.2
227.20137	9.1
228.06851	1.6
228.08853	3.5
228.13191	8.1
228.16049	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	227.1283
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03334	3.9
58.00462	5.4
59.01241	5.4
61.98695	5.4
63.52631	2.3
63.91844	2.1
65.01304	3.4
67.08445	1.9
69.03333	2.6
70.23918	5.8
71.04912	2.5
73.02835	2.6
81.03334	4.4
83.04903	4.6
95.04903	3.1
99.92466	3.6
101.02309	2.5
116.02405	2.6
123.04365	3.6
127.03827	3.1
129.05264	2.5
139.11127	2.8
153.12726	2.8
165.12759	16.6
167.03342	4.1
167.14349	13.0
169.12259	3.0
181.12230	4.5
183.13832	35.6
184.14174	2.7
197.57498	2.1
199.13330	48.9
200.13683	4.4
201.07718	5.0
209.11816	32.1
210.12090	5.2
211.13283	9.5
227.03493	2.8
227.07220	5.5
227.09233	5.5
227.12843	100.0
227.16518	6.4
227.20132	14.0
228.13272	8.6
228.16020	46.8
229.14323	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	226.9863
Annotation	Unknow
Peak:m/z	Relative Intensity
71.50454	3.1
75.26952	1.6
77.21164	1.7
79.95612	16.3
80.23915	1.4
96.95889	100.0
98.95444	2.1
122.97470	21.8
183.13808	4.8
205.23410	1.7
227.12909	2.4
227.20116	4.3
233.40584	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1284
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51969	0.6
59.01240	1.0
61.98708	0.7
65.01323	1.5
65.99726	0.9
66.81374	0.6
67.02876	0.8
71.04887	1.0
71.51701	1.0
78.20797	0.6
80.02560	1.5
80.99019	0.6
81.03337	2.4
83.04901	6.2
84.02038	3.0
91.02883	0.8
93.54114	0.7
103.08370	0.7
106.03992	1.3
114.79759	0.8
125.05939	0.7
132.05545	0.8
134.53123	0.7
135.07991	0.9
139.11261	0.7
145.05116	0.8
147.28680	0.6
157.05176	1.1
163.11185	5.1
165.12766	4.3
167.03305	0.9
181.12196	0.8
183.13860	4.2
184.06277	0.7
191.10617	1.6
201.07793	1.0
209.11774	100.0
210.12146	9.5
227.03458	0.9
227.07260	0.9
227.09213	1.5
227.12871	6.5
227.16487	1.8
227.20126	2.7
228.08865	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	225.2219
Annotation	Muscol
Peak:m/z	Relative Intensity
55.01759	1.3
57.03299	0.8
59.01247	0.7
61.01414	0.5
61.98698	0.7
62.42334	0.5
65.00179	1.7
68.99693	0.7
69.44940	4.6
80.02585	0.6
80.48116	0.5
88.00327	0.6
93.03365	0.8
111.00722	0.6
136.98711	1.5
159.06197	0.6
163.11217	0.8
195.02957	0.9
197.19035	1.8
206.99246	0.6
207.10266	0.7
221.19073	2.1
223.20607	6.9
224.20998	1.0
225.11227	1.5
225.22183	100.0
226.22510	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	225.1492
Annotation	Unknow
Peak:m/z	Relative Intensity
55.00883	0.7
59.01247	5.2
61.98701	42.3
64.56492	0.6
68.99690	1.2
69.03317	0.7
69.61140	1.4
69.61562	3.1
71.01236	0.7
71.04881	0.7
79.73093	0.6
81.03305	0.6
81.92708	0.6
83.04888	2.4
85.02859	0.8
87.07912	0.6
93.03325	1.8
95.01225	1.0
95.39589	0.6
97.06485	0.8
101.02309	1.9
105.78133	0.6
109.02853	0.9
109.06485	1.6
111.04412	0.7
121.02820	1.2
123.04409	1.6
125.06026	0.9
126.90366	0.8
132.90509	0.7
137.02322	2.5
151.03928	1.9
153.05428	0.7
153.09145	0.7
156.05464	0.7
163.11171	3.6
165.01782	1.2
169.12300	0.8
178.83339	3.6
179.05495	0.7
181.12280	2.2
181.15875	1.5
189.12865	0.7
195.02905	2.2
195.13846	9.6
197.15321	4.0
198.07759	1.2
207.10205	2.9
207.13844	23.7
208.14200	1.9
210.05240	0.9
225.03949	1.3
225.07617	2.5
225.11263	6.2
225.14909	100.0
225.92603	13.1
226.11687	0.7
226.15237	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	225.149
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03306	1.9
59.01246	10.6
61.98696	12.5
65.00175	1.9
65.01288	1.3
68.99664	2.0
69.03317	2.6
71.01231	2.4
71.04894	2.9
71.50173	1.9
81.03240	1.3
83.04865	3.8
84.93423	1.2
85.02820	2.0
93.03321	2.5
95.04894	3.1
97.02818	3.8
97.06393	1.7
99.04398	2.1
101.02303	4.6
109.02824	1.8
109.06478	6.7
110.03580	1.6
111.04367	1.5
111.08082	1.3
123.04369	2.6
125.05995	1.7
125.09630	1.9
126.90366	2.4
130.04059	1.4
133.03802	5.8
134.04247	3.4
135.07996	1.6
136.05151	1.7
137.02335	3.7
137.09596	3.2
151.03946	1.8
153.09088	1.9
153.12625	1.6
163.11209	13.7
163.14828	2.8
165.01822	3.2
166.04968	3.8
167.03357	1.5
171.06641	1.9
178.83272	4.6
181.08627	2.1
181.12251	12.4
181.15846	1.8
182.12576	1.4
185.07002	2.1
195.02904	5.0
195.06538	2.8
195.13843	13.8
197.15442	6.9
206.99258	2.4
207.10231	26.3
207.13828	44.3
208.10593	2.7
208.14070	4.5
210.05351	3.1
225.07578	6.6
225.09479	6.6
225.11424	39.7
225.14874	100.0
225.92590	4.5
226.05051	2.0
226.07170	4.0
226.11469	4.6
226.15329	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	225.1128
Annotation	12-Hydroxyjasmonic acid
Peak:m/z	Relative Intensity
52.71767	0.6
57.03302	0.7
58.86037	0.7
59.01234	4.3
61.98697	15.9
63.60802	0.7
65.01292	0.8
67.52612	0.5
68.99660	0.8
69.03294	0.7
70.25642	1.6
71.04866	0.9
73.02785	0.9
83.04879	1.0
91.02917	0.6
93.03307	1.7
94.93492	0.7
97.02820	11.5
97.06410	0.6
99.00737	3.3
101.02319	1.6
106.04072	0.6
109.02824	0.8
109.06485	2.8
110.03572	3.0
111.04395	0.6
123.04421	1.7
125.09538	1.5
135.08031	2.4
136.05188	2.2
137.02286	1.1
142.02634	5.3
144.05432	0.6
151.03967	0.9
161.09552	0.7
163.11189	11.9
165.01859	1.0
165.05429	1.1
167.14275	1.1
171.06631	0.8
178.83324	2.1
179.10728	1.5
181.12253	34.6
182.12587	2.3
189.09111	0.7
195.02939	1.5
197.11800	4.9
198.07884	0.7
199.06181	0.9
204.45857	0.8
207.10196	66.3
208.10512	6.3
210.05205	0.9
225.07593	3.7
225.11263	100.0
225.14885	2.7
225.92613	4.8
226.07243	0.9
226.11601	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	225.0764
Annotation	Massarigenin A
Peak:m/z	Relative Intensity
53.86604	2.0
57.03305	2.3
57.88234	2.1
57.91047	1.9
59.01245	6.4
65.00191	1.8
65.01301	3.2
67.01760	4.2
68.99679	21.2
69.03303	3.9
69.79711	11.2
71.01250	9.5
72.99165	3.8
75.00753	2.3
79.05397	4.7
81.03323	4.3
83.04873	5.4
84.02061	3.3
88.43327	1.9
89.47952	1.9
91.05410	4.2
93.03337	12.4
93.06969	5.8
95.01215	2.1
95.04891	10.6
97.02824	5.3
97.06452	6.6
98.19854	3.1
98.20422	4.3
98.98288	1.9
99.00758	2.8
99.04412	2.5
101.02314	3.7
103.05402	6.1
105.06984	25.4
106.04102	13.1
106.07330	2.7
107.04926	11.7
108.02058	16.3
109.02827	7.1
109.06464	16.7
111.07996	2.4
116.52329	2.1
119.04954	9.3
120.05700	47.2
121.02841	18.2
121.06481	81.4
122.03644	3.6
122.06789	6.5
123.04406	3.2
123.08043	31.0
125.02409	2.2
125.05898	2.0
130.04134	2.2
131.04930	13.0
133.06447	9.6
134.03632	8.3
135.04411	6.9
135.08055	40.1
136.01573	3.1
136.05138	3.7
136.08395	3.0
137.02295	12.3
137.05960	17.2
138.06712	4.6
139.07532	5.4
147.04417	5.0
147.05537	2.8
149.05983	73.2
150.06380	3.9
151.03871	2.3
151.07556	13.5
153.05473	2.8
153.09053	5.2
157.05090	2.4
163.03893	2.5
163.07492	6.1
163.11211	11.7
165.01855	5.8
165.05534	9.6
166.06267	54.7
167.06862	3.0
171.06628	3.0
175.03815	4.8
179.07069	9.8
180.04218	2.3
181.08627	92.8
181.12215	6.4
182.08940	8.9
193.04980	16.9
195.02881	4.5
195.06645	5.5
199.06218	2.5
207.06635	4.8
207.10205	22.2
208.10519	2.4
210.05258	21.5
222.55742	2.1
225.07629	100.0
225.11110	38.4
225.14798	2.8
226.07939	7.9
226.11496	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	224.0936
Annotation	6-Benzylaminopurine
Peak:m/z	Relative Intensity
52.92915	0.2
55.22789	0.2
59.01245	0.3
59.63102	0.2
68.47270	0.2
72.12979	0.2
75.04169	0.2
79.01634	0.3
80.82307	0.2
81.68284	0.2
92.02393	0.2
106.02728	2.5
113.57207	0.2
117.01967	0.8
119.03526	0.3
131.15572	0.2
132.03053	7.5
132.03996	0.5
133.03836	100.0
134.03281	0.3
134.04240	3.3
155.36909	0.3
156.70474	0.2
182.07127	0.4
207.06711	0.3
207.10246	0.4
208.07452	0.4
222.07942	0.5
224.09372	68.2
225.09644	5.6
225.11349	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1333
Annotation	3-Oxo-2-(2Z-Pentenyl)cyclopentyl propionic acid
Peak:m/z	Relative Intensity
57.03323	2.2
59.01246	9.3
61.98698	2.6
63.71619	0.4
69.03319	8.2
71.01234	1.4
71.04888	2.5
71.41486	0.5
73.02807	1.3
80.49829	0.4
81.03297	0.5
81.99270	0.4
83.01241	0.4
83.04900	1.5
85.02805	0.9
85.06469	1.6
86.85076	0.4
89.00178	0.7
89.02315	0.5
90.40306	0.4
92.28748	0.4
93.03318	1.0
95.04870	1.5
97.06461	0.8
101.02312	1.3
107.04912	0.6
108.02100	0.5
108.05656	0.6
109.05788	0.4
109.06422	2.2
111.08037	0.8
121.02804	0.4
123.08051	0.7
125.09616	1.4
133.03841	1.5
135.04405	0.5
135.11725	0.8
141.09109	1.0
149.09601	1.4
151.03893	0.7
151.11200	0.8
153.09135	0.7
161.13255	0.9
164.04619	0.6
165.01782	0.7
166.06331	0.5
167.10683	10.9
168.11011	0.8
176.98207	0.9
177.12766	1.5
178.99713	0.4
179.06979	0.6
179.10738	4.2
179.14302	10.2
180.11055	0.8
180.14690	1.0
187.11203	0.7
193.01338	1.3
194.99309	0.8
195.13823	30.2
196.14227	2.9
205.12268	20.9
206.12599	2.4
208.03668	1.8
218.62151	0.4
223.02782	2.2
223.06026	1.5
223.13339	100.0
224.09262	1.1
224.13672	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	223.1334
Annotation	3-Oxo-2-(2Z-Pentenyl)cyclopentyl propionic acid
Peak:m/z	Relative Intensity
54.41558	0.7
57.03310	1.4
58.20657	0.7
59.01251	8.0
61.98693	6.3
69.03327	9.3
70.87126	2.3
71.01223	1.3
71.04877	2.1
79.32290	0.7
83.04876	1.4
85.06461	1.3
89.02367	0.8
93.03323	1.0
95.04876	1.3
107.54166	0.8
108.05713	1.0
109.06460	2.2
116.62025	0.8
120.62672	0.7
137.91478	0.9
141.09096	1.2
149.09615	2.1
151.03925	0.9
161.13174	1.1
166.06233	1.2
167.10683	12.0
168.11044	1.1
176.83554	0.9
177.12729	2.2
179.10793	3.9
179.14337	13.5
180.14619	1.8
195.13835	30.8
196.14221	3.4
205.12276	22.2
206.12636	1.8
222.95158	0.8
223.02750	2.2
223.13335	100.0
224.13663	11.4
234.08990	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1084
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	5.6
61.98702	7.8
62.94999	1.3
63.66519	1.4
66.03357	1.9
69.56025	3.1
69.56445	7.1
71.01244	3.3
72.00746	2.1
73.02805	2.0
74.02347	15.6
80.04946	7.4
85.02809	2.2
94.02911	1.6
94.06490	2.6
95.02374	3.4
97.03955	4.8
98.20575	1.5
100.00308	2.2
101.02296	2.9
108.08096	6.9
109.02824	1.7
109.03964	24.8
110.08923	2.6
110.09643	30.3
110.16000	1.5
110.95717	1.4
111.05521	19.8
111.09979	1.6
113.02349	1.9
118.85238	1.4
120.08102	1.8
121.02816	1.5
121.03906	1.8
122.09658	16.7
125.07109	1.8
129.84653	1.3
135.04622	1.5
135.05516	8.3
136.07605	3.0
138.04251	6.5
143.95601	1.4
150.07899	3.4
150.09152	9.6
151.03889	1.8
151.12315	6.0
152.10629	1.7
164.09485	10.2
165.01787	1.9
169.05089	1.8
176.83516	1.6
177.10240	4.7
179.11830	100.0
179.75633	1.6
179.77252	1.7
180.12172	7.3
182.04453	1.7
193.01352	3.8
196.06258	2.0
208.03668	3.6
215.23204	1.4
223.02644	3.1
223.06100	5.3
223.10823	11.2
223.13036	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	223.1084
Annotation	Unknow
Peak:m/z	Relative Intensity
55.54414	1.4
57.03310	4.7
59.01249	12.0
59.83914	1.6
61.98699	18.1
64.24609	1.5
65.01305	2.1
69.03329	1.7
69.25581	3.4
69.25981	12.3
71.01244	6.1
73.02811	2.3
74.02345	18.9
75.00765	1.7
78.03249	1.3
80.04925	6.2
82.02846	1.4
82.03980	2.0
83.01267	2.6
85.02829	8.8
90.00842	1.7
93.75000	1.4
94.02853	2.5
94.06480	2.9
95.02385	3.9
97.03952	3.2
98.20484	3.8
100.00273	3.2
101.02313	4.7
108.04443	1.5
108.08064	9.2
109.02836	3.7
109.03967	26.8
110.08933	2.8
110.09637	34.9
111.00782	3.7
111.05525	26.9
113.35220	1.6
120.08057	1.8
121.02795	2.5
122.04704	2.1
122.09653	17.7
123.00784	1.7
123.04388	4.3
129.01859	1.6
135.05545	9.1
136.11217	2.5
137.07156	1.7
138.04243	6.4
138.09076	1.8
149.02318	3.7
150.08000	2.7
150.09146	9.8
151.03891	4.7
151.12280	4.5
152.10695	2.2
154.08661	3.4
163.03900	2.6
164.04636	2.5
164.09421	11.3
165.01781	1.6
167.03278	1.5
177.10255	4.2
179.11818	100.0
180.12141	7.7
181.05075	2.7
193.01302	6.4
196.06215	2.7
196.56743	1.5
196.75809	1.4
197.04680	1.8
197.08128	1.9
205.05060	3.0
208.03687	8.2
223.02652	10.1
223.06023	11.3
223.10788	11.6
223.13367	4.7
224.09265	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	223.0455
Annotation	Unknow
Peak:m/z	Relative Intensity
54.78069	1.4
55.01760	2.7
56.62381	1.1
57.03318	12.7
59.01238	5.9
67.30006	1.1
69.03326	1.4
71.01243	11.0
71.48196	2.2
72.99174	16.9
73.02808	4.2
75.00756	6.1
78.95774	4.7
81.03332	8.3
83.01252	5.5
85.02819	90.7
86.03162	2.7
87.00738	5.6
96.95248	1.3
96.95877	5.7
96.96832	1.7
99.00762	8.3
101.02322	10.5
111.00764	41.3
113.02341	4.6
116.03401	1.3
117.01812	2.0
123.75751	1.4
125.02332	32.3
129.01826	45.2
129.02783	2.9
130.02162	2.9
143.03392	9.3
147.02905	20.9
159.02922	1.6
161.04459	3.3
187.02393	4.2
205.03468	61.8
206.03799	3.2
208.03653	1.6
222.93407	1.4
223.04529	100.0
224.04903	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	223.0607
Annotation	Sinapate
Peak:m/z	Relative Intensity
51.74432	0.5
53.71592	0.6
54.84406	0.7
57.03307	1.9
57.24511	0.6
59.01237	2.6
65.00206	0.6
67.01747	0.8
71.01244	2.0
71.05431	1.1
72.99158	0.7
73.02822	1.3
74.02894	0.6
74.08430	0.6
75.00742	0.8
83.01229	0.7
85.02820	6.0
89.03840	1.1
90.00841	0.6
91.05401	0.5
93.03327	8.6
101.02316	2.3
109.02846	0.8
109.24449	0.7
111.00777	3.3
117.03352	1.5
119.04858	0.7
121.02840	35.5
122.03157	0.9
129.01788	1.9
131.20972	0.5
132.02063	1.9
133.03819	1.3
134.03615	0.6
135.04414	5.0
137.02336	0.7
147.04437	4.9
149.02341	100.0
150.02681	5.8
151.03865	1.2
152.01053	7.1
163.03900	6.3
164.04695	64.5
165.01828	5.6
165.05042	3.9
167.03452	1.3
169.04999	3.6
179.07050	9.4
179.10641	0.6
180.04192	0.6
193.01353	24.4
194.01706	1.6
196.06364	0.7
205.03381	3.2
208.03711	39.3
209.04073	2.2
223.02544	1.8
223.06088	40.7
223.13344	2.0
224.06393	3.4
224.09410	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0456
Annotation	Unknow
Peak:m/z	Relative Intensity
54.69575	0.8
55.01765	6.3
57.03323	20.0
58.00461	0.8
59.01254	11.3
67.01747	1.1
68.99687	2.0
70.33125	0.8
70.98734	1.0
70.99077	1.9
71.01253	15.3
72.99198	5.6
73.02832	2.9
75.00744	7.8
83.01261	10.9
84.02048	3.1
85.02826	100.0
86.03145	1.9
87.00756	6.5
88.01627	0.9
93.03364	1.2
101.02329	10.5
111.00769	42.1
112.01086	1.3
121.02873	3.5
129.01833	29.2
130.02168	1.3
135.04398	0.9
142.98151	0.9
143.03445	1.7
146.60884	1.1
146.96915	0.9
147.02901	5.4
149.02319	6.5
151.03949	1.1
161.04469	2.5
163.03931	1.1
164.04703	2.7
165.01814	2.0
169.05127	1.0
179.07124	1.4
187.02403	2.2
193.01389	6.4
205.03470	34.9
206.03870	1.0
208.03711	7.1
223.04474	26.7
224.04953	1.0
226.80534	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0454
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	4.0
57.03321	18.6
58.00450	0.6
59.01251	10.9
61.38516	0.5
67.01750	0.8
68.99673	1.8
69.16562	3.6
69.16995	2.9
71.01252	13.8
72.99175	6.4
73.02806	3.5
74.02338	0.8
75.00745	6.7
75.63074	0.6
76.95461	0.6
83.01257	11.3
83.01727	0.9
84.02045	2.5
85.02821	100.0
86.03159	1.9
87.00749	4.4
88.01513	1.0
90.59474	0.6
91.15202	0.6
98.19873	1.9
98.20570	1.5
99.00754	1.5
101.02322	12.8
103.00260	1.3
103.03889	1.6
104.77270	0.6
111.00763	47.8
112.01088	1.4
116.26706	0.6
125.02345	1.2
129.01828	28.4
130.02139	1.5
133.03819	1.8
147.02861	7.0
161.04478	2.5
173.00801	1.0
179.11766	1.7
185.53799	0.6
187.02396	3.4
193.01335	0.7
205.03471	39.6
206.03871	1.5
208.03658	2.0
223.04541	35.5
223.13269	1.3
224.04846	1.9
224.09349	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	223.0454
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	4.5
57.03052	1.3
57.03324	20.8
57.46600	0.8
58.00441	0.9
59.01243	10.6
62.42069	0.8
67.01757	1.8
68.99680	1.7
71.01253	14.5
72.99177	6.1
73.02818	3.3
74.35806	0.9
75.00737	7.4
77.32409	0.7
83.01260	11.8
84.02044	3.7
85.02822	100.0
86.03149	1.8
87.00754	4.2
93.03366	0.8
99.00759	2.2
101.02325	12.8
103.00231	1.0
103.03864	2.1
108.08057	0.9
111.00766	51.4
112.01070	1.4
125.02304	1.5
126.52124	0.7
129.01826	30.3
130.02139	0.9
133.03876	4.6
133.04758	0.7
135.04462	0.7
142.24664	0.8
143.03415	1.5
147.02898	6.0
161.04462	3.1
176.98172	0.7
187.02348	3.6
193.01401	1.4
205.03465	42.4
206.03778	2.0
208.03729	1.7
223.04518	37.3
223.13371	1.8
224.04797	1.3
224.09352	2.9
229.61415	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0455
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	4.1
57.03320	20.4
58.00473	1.1
58.03653	1.0
59.01252	12.1
67.01752	1.0
68.99683	2.2
70.36468	1.6
71.01250	17.2
72.99184	7.5
73.02814	3.9
75.00748	8.3
83.01251	15.1
84.02026	3.3
85.02821	100.0
86.03152	2.5
87.00748	6.2
98.19944	0.6
99.00742	1.9
101.02319	14.3
103.00268	1.4
103.03882	2.3
110.24450	0.7
111.00762	45.4
112.01093	1.1
121.57972	0.7
125.02308	1.1
129.01825	27.5
143.03349	0.9
147.02859	7.1
149.02324	2.0
151.03891	0.6
161.04482	3.0
164.04668	1.0
165.01857	0.7
179.07054	1.2
187.02342	2.5
193.01369	3.3
205.03462	32.0
206.03754	2.1
208.03728	4.4
223.02763	1.7
223.04488	25.6
223.06168	1.7
223.13287	2.0
224.04893	1.1
224.09389	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0453
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77531	2.0
55.01757	5.6
57.03319	20.5
59.01247	22.5
63.08486	2.0
67.01771	2.2
68.99686	4.0
70.78061	4.4
70.78402	3.6
71.01245	24.0
72.99180	9.3
73.02808	11.1
75.00737	7.2
83.01253	14.2
84.02036	3.2
84.77428	2.3
85.02818	100.0
87.00751	6.9
89.00547	1.9
91.02129	3.3
93.03331	2.3
99.00778	3.5
99.07951	2.2
101.02305	19.3
103.03860	2.9
103.04994	2.2
107.42970	2.2
108.02011	1.9
111.00760	42.0
111.88214	2.1
112.98673	2.0
113.02311	3.0
119.04918	14.9
121.02857	3.5
125.02286	5.2
129.01797	25.9
135.01070	3.5
135.04514	4.1
145.95512	2.0
147.02910	6.4
149.00879	2.0
149.02344	3.8
151.03923	3.9
160.42503	2.2
161.04407	6.5
163.03935	4.9
181.04980	3.3
193.01355	13.1
205.03448	26.4
208.03671	9.9
223.02583	7.2
223.04485	21.5
223.06181	6.3
223.13170	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	222.0766
Annotation	N-Acetyl-L-tyrosine
Peak:m/z	Relative Intensity
53.47559	0.9
55.27964	0.9
57.21472	0.8
58.02848	83.2
59.01248	51.3
59.03181	1.0
60.01588	1.5
70.02836	3.2
70.16402	4.5
72.00767	3.6
74.02341	6.2
84.04433	1.5
85.02813	1.2
93.03316	6.2
98.02327	3.8
105.17023	1.0
106.04131	1.6
107.04905	48.1
108.05216	2.4
118.06515	1.3
119.04910	100.0
120.05257	4.7
121.02803	2.0
134.06046	5.4
136.07573	71.4
137.07898	4.5
139.86688	0.9
163.03912	20.0
163.72041	1.0
164.04295	2.0
176.07109	4.2
178.08650	31.2
179.08986	1.9
180.06578	63.7
181.06876	4.4
194.37845	1.0
204.06541	2.2
222.07635	43.2
223.07922	3.1
236.25931	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	223.0278
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56137	0.2
59.01234	0.7
59.96600	0.8
61.98678	0.4
67.58215	0.1
71.01237	0.4
71.29790	0.3
72.81548	0.2
73.02823	0.3
74.98942	14.4
75.14651	0.2
75.96085	0.7
75.98903	0.3
79.63620	0.2
85.02786	0.2
93.00009	7.8
93.03320	0.2
93.99953	0.3
101.02278	0.3
107.81261	0.2
113.02376	0.2
121.02828	0.2
123.04427	0.2
133.03818	0.7
149.00850	11.7
150.00798	1.0
150.98779	0.7
151.03845	0.2
165.01819	0.2
166.06277	0.2
176.83554	0.3
176.98302	0.2
179.06982	0.2
193.01326	0.5
195.13843	0.6
205.12256	0.4
206.99641	5.0
207.99681	0.5
208.03709	0.5
208.97516	0.2
223.02766	100.0
223.13326	2.3
224.02812	13.1
224.06059	0.2
224.09328	0.6
241.03819	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	218.1029
Annotation	Sodium pantothenate
Peak:m/z	Relative Intensity
52.77698	1.8
54.41614	1.6
56.94650	1.7
59.01240	5.2
69.64843	12.0
71.01252	14.5
71.04890	20.8
75.00749	2.1
75.82384	1.7
85.02835	1.8
88.03912	100.0
89.04198	2.1
99.04379	5.2
107.44014	1.9
116.07043	3.3
146.08127	51.3
147.04442	1.9
147.08470	2.0
175.03867	4.1
175.07521	4.3
179.80730	1.9
196.61499	1.8
204.04282	2.2
218.04544	3.1
218.08371	2.8
218.10307	18.1
219.02951	4.1
219.06552	6.8
219.10312	3.4
219.15376	3.8
219.17484	60.6
223.17647	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	222.0767
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03717	0.7
52.62666	0.6
58.02847	5.1
59.01249	83.8
60.01584	1.6
60.17091	0.8
60.99173	2.2
66.98424	0.6
70.02210	1.0
70.02576	3.2
85.02818	3.6
91.05399	4.2
101.02265	0.6
101.03783	0.7
111.00712	1.0
116.04951	13.0
116.05754	0.9
118.06514	100.0
119.04914	1.8
119.06853	6.1
129.01865	1.2
133.06494	21.5
134.06792	0.8
147.04416	6.3
149.96225	0.7
160.07588	61.6
161.07930	4.4
164.04901	0.7
180.06528	1.5
205.03418	1.0
222.07697	8.4
223.04451	0.9
223.08124	1.0
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
57.04402	0.2
59.01237	0.5
66.17279	0.2
67.00934	0.2
69.15852	1.1
69.16283	1.2
77.99457	0.2
93.03323	0.3
122.89346	0.7
137.02342	0.3
139.11183	0.5
144.00819	0.9
167.14290	0.3
169.15900	5.0
170.16202	0.4
171.01962	0.3
183.10234	0.3
186.89767	0.3
197.11722	0.2
197.15390	2.4
213.14862	1.1
215.00946	7.6
215.03070	0.5
215.16472	100.0
216.01268	0.7
216.16815	9.0
216.46652	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	215.0321
Annotation	Unknow
Peak:m/z	Relative Intensity
56.49547	2.3
59.01232	7.6
71.48850	2.4
71.49377	2.3
83.04875	3.7
91.69364	2.8
93.03323	4.9
144.00787	8.2
171.01889	2.8
215.00916	100.0
215.03069	5.5
215.12761	4.1
216.01212	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	215.0919
Annotation	Isoketocamphoric acid
Peak:m/z	Relative Intensity
59.01247	100.0
60.01581	1.3
65.01329	0.4
70.00961	1.6
73.02850	0.7
83.04885	0.5
84.62916	0.4
85.73771	0.4
93.03351	1.4
95.56483	0.5
111.04440	0.5
111.08038	9.2
112.08311	0.5
125.09544	0.5
135.08110	0.5
136.05002	0.4
137.02318	0.5
144.00839	2.5
146.05995	0.6
148.46854	0.5
153.09114	5.8
155.07002	5.4
171.01942	1.0
171.10173	17.1
171.11653	0.9
172.10550	1.3
197.08142	1.8
212.46307	0.5
215.00926	18.5
215.03015	0.6
215.05424	0.5
215.07147	1.0
215.09169	13.7
215.11151	0.7
215.12820	1.7
216.01247	2.0
216.09535	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	215.1281
Annotation	UNDECANEDIOIC ACID
Peak:m/z	Relative Intensity
59.01241	2.8
61.98719	0.8
65.00176	1.1
70.90600	1.1
71.01250	2.3
71.04891	0.8
73.02812	1.1
73.06590	0.6
80.89576	0.5
81.03310	0.6
83.04858	1.0
83.20004	0.6
90.32497	0.6
93.03335	1.5
97.02823	0.6
99.04362	0.5
106.71100	0.5
111.04367	0.6
122.89291	1.6
125.09571	1.9
127.11169	3.1
134.09633	1.8
137.02309	1.5
141.12735	1.3
143.10672	1.0
144.00829	5.6
145.01199	0.7
153.09055	0.6
153.12746	1.3
155.10677	1.6
162.03088	0.6
169.12204	1.6
171.10175	11.7
179.10655	2.7
185.11737	1.3
186.89661	0.6
197.11714	6.1
198.12125	1.0
213.11220	5.0
215.00926	39.1
215.07109	1.9
215.12823	100.0
216.01222	3.8
216.13126	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	215.0321
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01237	9.0
59.29869	4.8
64.85565	4.1
69.02462	4.0
70.90518	8.0
71.01251	7.0
76.74502	3.6
79.74139	3.7
87.88168	3.8
88.13799	4.4
89.02290	8.6
111.04414	4.5
139.72859	3.8
144.00836	12.6
171.01830	5.4
215.00932	100.0
215.03085	9.1
215.06990	8.9
215.08971	4.7
215.12804	15.5
216.01295	7.8
222.38454	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	215.0321
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01237	9.0
59.29869	4.8
64.85565	4.1
69.02462	4.0
70.90518	8.0
71.01251	7.0
76.74502	3.6
79.74139	3.7
87.88168	3.8
88.13799	4.4
89.02290	8.6
111.04414	4.5
139.72859	3.8
144.00836	12.6
171.01830	5.4
215.00932	100.0
215.03085	9.1
215.06990	8.9
215.08971	4.7
215.12804	15.5
216.01295	7.8
222.38454	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	213.1489
Annotation	Putaminoxin E
Peak:m/z	Relative Intensity
59.01230	0.9
65.01295	1.3
69.49994	3.8
74.63594	0.5
82.30256	0.5
87.68593	0.7
90.90915	0.5
93.67680	0.6
169.12256	1.5
174.14998	0.6
183.13821	30.3
184.14174	2.5
185.11743	1.3
187.06169	0.9
195.13831	25.0
196.14159	1.7
211.13353	0.8
213.14902	100.0
214.15256	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	213.149
Annotation	Putaminoxin E
Peak:m/z	Relative Intensity
50.11935	0.3
59.01244	0.5
69.85915	1.0
69.86321	0.7
82.22856	0.4
83.04929	0.4
121.36861	0.3
141.84366	0.3
177.12772	0.7
183.13818	28.3
184.14102	2.1
195.13824	23.8
196.14189	2.4
211.13243	0.5
213.14896	100.0
214.15242	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	213.1126
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48274	0.4
57.03307	0.6
59.01247	0.5
65.01317	0.7
69.03319	0.4
69.23370	3.9
76.45316	0.4
97.06467	0.5
117.80022	0.4
125.09575	0.8
144.05437	0.4
148.62491	0.4
151.11182	13.8
152.11597	0.6
157.82312	0.4
157.96622	0.4
169.12251	100.0
170.12585	7.5
185.11804	0.5
186.06688	0.5
187.06209	0.5
195.10278	0.8
213.07903	0.5
213.11278	13.1
213.14850	2.4
214.07166	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.149
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27687	0.3
52.96392	0.3
59.01251	0.3
70.51883	1.0
85.62834	0.5
103.26649	0.3
112.80419	0.4
150.00011	0.4
167.14349	1.8
183.13847	6.6
184.14154	0.7
195.13834	16.8
196.14209	1.6
211.13411	1.2
213.14911	100.0
214.15242	10.0
214.16867	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1335
Annotation	7-Oxo-11-dodecenoic acid
Peak:m/z	Relative Intensity
52.30952	0.4
59.01225	0.6
65.83351	0.4
69.03318	0.7
83.04887	0.4
98.19785	0.9
119.25752	0.5
155.10776	0.6
165.12738	0.6
167.10686	0.8
167.14316	1.8
183.13841	14.7
184.14175	1.5
193.12256	5.2
211.13341	100.0
212.13681	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	211.1333
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18327	0.4
54.11556	0.4
69.03309	0.6
71.18874	0.6
71.85744	0.4
76.47041	0.4
76.48881	0.4
81.35246	0.4
89.37271	0.4
100.98874	0.4
102.74277	0.4
103.17288	0.4
105.11707	0.4
108.45489	0.4
126.94064	0.4
158.15617	0.4
165.12715	0.5
167.10727	1.1
167.14352	1.4
183.13844	15.7
184.14143	1.1
193.12309	4.4
211.13333	100.0
212.13669	9.8
213.96538	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1127
Annotation	1-Methyl-3-(1-methylethyl)-1,2-cyclopentanedicarboxylic acid
Peak:m/z	Relative Intensity
56.94514	0.3
67.21859	0.3
69.03299	0.3
70.99474	0.5
70.99805	0.6
83.04881	0.4
97.06477	1.0
131.18784	0.3
151.11188	12.1
152.11522	0.8
159.09348	0.4
166.51718	0.3
169.12253	100.0
170.12581	7.2
177.09029	0.3
195.10213	0.8
213.11279	15.3
213.14699	0.7
214.11598	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	211.1334
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37494	0.4
59.01257	0.5
61.98696	1.4
69.03305	0.7
70.53403	0.9
70.53731	0.7
81.03294	0.5
83.04882	0.6
95.01232	0.6
121.02767	0.6
125.02335	0.5
138.88390	0.5
139.00229	0.6
151.11140	0.5
166.90878	0.4
167.10678	1.0
167.14334	1.3
181.05013	0.5
183.13824	13.6
184.14217	1.3
193.04961	0.5
193.12308	3.8
196.03780	0.6
211.06032	1.1
211.13332	100.0
212.13675	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	211.1333
Annotation	7-Oxo-11-dodecenoic acid
Peak:m/z	Relative Intensity
53.99549	0.3
55.01774	0.4
59.01233	1.0
65.01329	0.3
65.34763	0.3
69.03311	1.6
70.74468	0.4
71.01247	0.5
72.99166	0.4
81.03349	0.6
83.04882	1.0
85.02830	0.4
91.42431	0.4
93.03350	0.4
93.06967	0.5
95.01250	0.7
95.04897	0.7
97.02855	0.6
97.06481	0.4
98.20570	0.9
103.98911	0.4
107.04903	0.4
108.02064	1.1
109.06440	1.5
111.08044	3.2
112.01536	0.4
113.99483	0.5
121.02857	0.4
121.06464	1.4
123.04387	0.5
123.08029	2.9
124.01544	1.7
125.02379	0.5
126.55797	0.3
126.73404	0.4
137.02345	1.0
137.06000	1.0
139.07530	4.8
149.06000	3.0
149.09648	0.7
151.07513	1.4
152.35898	0.3
153.05461	0.5
153.09123	0.6
157.05077	0.7
165.09109	1.2
167.07091	3.4
167.10678	1.4
167.14345	1.3
181.04840	0.5
183.13821	14.4
184.04941	0.5
184.14145	1.2
185.04604	1.1
185.08293	0.4
193.08664	1.4
193.12282	3.8
211.05989	2.9
211.13327	100.0
212.05614	0.4
212.09331	0.5
212.13667	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	211.1333
Annotation	7-Oxo-11-dodecenoic acid
Peak:m/z	Relative Intensity
56.87767	0.3
58.43517	0.3
59.76257	0.3
69.03322	0.6
70.50933	0.8
80.75975	0.3
83.04887	0.4
89.60495	0.4
111.08022	0.3
121.26054	0.3
122.82194	0.3
143.86415	0.3
155.10605	0.3
165.12689	0.8
167.10646	0.5
167.14301	1.2
183.13821	12.7
184.14200	1.1
193.12247	3.7
194.12704	0.4
211.13327	100.0
212.13689	9.3
223.61070	0.3
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	Unknow
Peak:m/z	Relative Intensity
50.64236	0.6
53.66416	0.5
54.55870	0.5
56.25500	0.6
69.03322	1.0
69.39799	0.6
69.40033	1.8
69.40434	2.3
76.40090	0.7
82.02628	0.6
83.04910	0.8
86.17787	0.5
150.62386	0.5
155.10641	0.9
165.12689	1.2
167.10632	0.7
167.14307	1.3
183.13826	14.6
184.14183	0.9
193.12238	3.9
211.13329	100.0
212.13654	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	211.1334
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01237	0.7
59.74001	0.4
61.98693	0.7
69.03328	0.9
71.22719	0.9
72.50041	0.5
81.03289	0.4
123.04424	0.4
127.79302	0.4
165.12733	0.5
167.10684	0.9
167.14352	1.3
183.13832	15.2
184.14139	1.5
193.12239	3.7
211.13336	100.0
212.13690	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	211.1334
Annotation	Unknow
Peak:m/z	Relative Intensity
61.64959	0.4
62.11826	0.4
69.03311	0.7
71.38969	0.5
76.68130	0.5
93.20139	0.4
108.49432	0.5
167.10765	0.6
167.14290	1.4
183.13835	15.1
184.14243	0.8
193.12285	3.4
194.12643	0.5
210.53392	0.5
211.13332	100.0
212.13663	8.9
219.77019	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0968
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03278	1.0
59.01243	9.3
61.73273	0.8
65.01322	1.7
67.05368	1.1
68.99685	2.0
69.03316	2.3
71.01235	1.4
71.05846	1.1
71.06171	1.2
71.13096	0.9
80.02535	4.2
81.02898	1.7
81.03329	19.5
83.04897	3.0
85.02810	3.9
87.38345	0.9
93.03324	1.5
95.01262	1.7
95.04879	2.5
97.06422	1.9
99.00756	1.0
106.04100	2.0
107.08534	3.1
108.02050	72.8
109.02279	1.4
109.02888	2.2
109.06474	1.7
111.08020	1.4
113.02296	1.7
121.02829	4.3
121.06440	2.8
122.03602	3.8
123.08047	50.3
124.08362	2.6
125.02291	1.8
125.04263	1.2
125.05996	1.2
125.09608	13.8
133.06512	1.0
134.03616	1.4
135.07994	2.2
136.01476	1.1
136.05197	7.7
137.02348	1.1
137.05898	1.0
137.09608	3.5
138.03108	1.2
139.07513	4.0
139.11191	1.4
149.05957	3.9
149.09618	2.0
150.03099	6.7
150.06807	1.5
151.07547	100.0
152.04636	1.9
152.07867	5.4
153.09109	12.5
157.05063	1.5
163.07550	3.6
165.09113	26.3
166.09483	1.2
167.07074	7.8
167.10634	2.0
175.07518	4.0
181.01326	2.0
181.04958	1.1
181.08606	13.9
183.10182	2.3
183.13876	2.5
184.04967	1.3
185.04593	1.4
193.04941	1.6
193.06918	1.7
193.08638	26.5
194.08897	2.8
196.03717	1.1
211.06081	6.5
211.07729	1.3
211.09702	22.2
211.13275	15.8
212.05663	1.7
212.10045	1.1
212.13705	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	210.9913
Annotation	Unknow
Peak:m/z	Relative Intensity
56.99662	0.4
59.01255	0.7
70.80379	0.5
70.80712	0.9
71.01231	0.6
72.99189	0.3
74.27554	0.4
74.79954	0.3
79.95608	1.0
81.89310	0.5
81.95190	0.7
90.61778	0.4
91.51390	0.4
96.95889	100.0
97.95845	0.8
98.95459	2.4
109.02819	0.8
123.04385	0.7
123.08145	0.5
137.02319	0.4
153.72430	0.4
181.05116	0.5
183.13869	0.7
193.05122	0.5
201.84885	0.4
210.99150	1.4
211.06079	1.4
211.09653	0.4
211.13345	5.0
212.13658	0.6
216.17772	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0758
Annotation	DIPHENYLACETIC ACID
Peak:m/z	Relative Intensity
51.33902	0.5
59.01223	1.7
61.98708	6.3
69.03300	1.0
70.26567	1.4
71.01219	0.6
73.02810	0.9
78.95750	0.5
81.03326	0.8
83.01279	0.7
85.02809	1.3
88.02342	0.5
89.02267	0.5
93.03297	0.7
94.02847	0.6
95.01228	1.3
97.02818	0.7
97.06440	0.5
98.20454	0.7
108.02025	1.2
108.88644	0.5
109.02785	1.2
111.04424	0.9
123.04411	1.1
123.07948	0.6
124.03891	0.6
125.02294	1.0
125.05903	0.9
137.02353	1.4
139.03877	1.3
148.01540	0.6
149.05974	0.7
151.03894	0.9
153.05528	1.0
153.09125	0.8
163.03946	0.6
165.05522	0.5
167.08571	100.0
168.08907	10.5
181.01355	0.8
181.04977	1.7
183.13885	4.0
193.05049	1.4
193.12273	0.9
196.03725	0.7
210.94872	1.1
211.06021	2.7
211.07616	46.9
211.13321	37.2
211.94548	0.9
212.03458	0.6
212.07930	6.3
212.13661	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1177
Annotation	Unknow
Peak:m/z	Relative Intensity
53.07914	0.6
56.33237	0.6
57.03318	3.2
58.94476	0.6
59.01250	96.3
60.01604	1.7
61.98705	13.7
65.01334	0.6
71.01265	1.2
71.51480	1.3
71.51853	0.7
81.03326	2.5
82.02875	0.8
83.01268	1.5
83.04907	1.9
84.04388	0.6
85.02849	3.1
91.01760	1.7
92.99699	0.7
93.03349	2.4
94.02870	6.6
95.01262	1.4
95.04899	0.9
96.95903	0.9
97.02814	1.1
97.06448	3.2
107.04886	0.8
108.02069	1.3
109.02850	2.1
109.06472	3.4
111.00744	0.7
111.04411	1.4
113.36849	0.7
120.02053	1.2
121.02843	100.0
122.03135	6.0
123.00775	1.1
123.04415	2.3
124.03936	11.8
125.02328	1.2
135.04424	2.7
136.01567	1.5
136.98659	0.7
137.02415	1.4
137.05988	2.4
137.09633	0.7
138.03156	0.9
139.00233	0.8
149.05959	1.0
150.03137	0.8
151.03897	1.4
156.05568	1.6
164.94055	1.0
165.01831	0.8
165.05495	2.9
165.12750	3.3
166.02617	1.1
167.03455	1.8
179.03400	2.1
181.01366	0.7
181.04982	1.8
183.06642	3.2
191.03433	1.4
194.02141	3.6
194.05789	1.9
209.00752	0.7
209.04520	20.3
209.08041	4.2
209.11766	18.1
209.94844	2.8
210.04871	1.9
210.07565	3.1
210.11322	1.2
224.39938	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1176
Annotation	Libanotic acid
Peak:m/z	Relative Intensity
51.81117	0.5
53.47235	0.5
57.03324	0.9
59.01244	2.0
61.98700	3.3
65.01324	0.6
65.99728	0.5
66.03335	0.8
69.03316	0.9
71.01254	1.6
71.50708	0.8
75.00826	0.6
80.02574	2.9
81.03329	2.3
83.01246	1.0
83.04891	9.6
84.04450	0.6
85.02822	3.1
91.01765	0.6
93.03326	1.5
94.02840	2.6
95.01256	0.9
95.04907	2.0
96.95879	0.7
97.02818	0.6
97.06475	1.0
98.02362	0.6
106.04079	0.5
107.04912	0.6
108.02052	1.0
109.02841	0.8
119.57425	0.5
120.02088	0.5
121.02840	59.8
122.03145	3.6
123.04417	1.3
124.03929	7.6
125.02324	1.1
125.05984	1.5
135.04405	1.9
135.08041	1.5
136.01538	0.5
137.02362	0.7
137.05977	1.9
139.03886	1.2
142.03952	0.6
143.04794	0.6
147.11707	0.7
151.00243	0.6
151.03876	0.9
152.62379	0.5
156.05568	2.0
161.02415	0.7
163.11186	7.2
164.11597	0.5
165.01820	0.6
165.05481	1.5
165.09120	1.1
165.12766	4.5
166.13182	0.5
167.03392	0.9
167.05603	0.5
170.05878	0.5
178.99797	0.9
179.03378	1.7
181.05092	0.9
181.12267	0.7
183.06670	2.3
191.03403	0.7
191.10693	2.3
194.02153	2.0
194.05814	1.7
209.04523	10.8
209.08293	3.3
209.11765	100.0
209.94801	0.7
210.07861	2.6
210.12115	8.9
217.12794	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1177
Annotation	(-)-Jasmonic acid
Peak:m/z	Relative Intensity
59.01242	1.0
61.98703	3.6
70.18375	1.8
77.71641	0.4
83.01272	0.6
85.02818	1.0
91.01762	0.5
92.99728	0.7
94.02859	0.7
96.85113	0.5
97.06475	0.5
98.19844	0.5
121.02841	28.1
122.03179	1.5
124.03954	3.4
125.02383	0.5
133.66951	0.5
135.04419	0.7
136.01466	0.6
165.05452	0.8
165.12817	0.5
166.46944	0.5
167.62492	0.5
179.03368	0.5
181.12413	0.4
188.33870	0.5
191.10616	0.6
194.02151	0.4
194.05804	0.9
209.04562	5.2
209.11761	100.0
209.94873	1.3
210.07750	0.5
210.12120	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	209.1177
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39814	0.3
57.03321	0.3
57.66923	0.3
59.01247	0.6
69.43560	2.1
69.43972	0.8
76.42823	0.3
79.63741	0.3
80.02538	2.7
81.02869	0.6
81.03307	2.5
83.04891	10.5
95.04910	1.6
97.06452	0.6
109.06489	0.5
111.08029	0.4
111.73418	0.3
121.02850	3.2
124.03855	0.4
125.05944	0.9
126.25893	0.3
135.08051	1.1
154.15024	0.3
163.11182	8.5
164.11452	0.4
165.12782	4.0
166.13138	0.5
174.33588	0.4
181.12259	1.5
191.10725	1.9
209.11772	100.0
210.12115	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	209.1177
Annotation	Pulchellon
Peak:m/z	Relative Intensity
57.03318	6.6
58.00449	1.0
59.01262	3.9
61.98701	7.1
66.03364	1.0
68.99674	0.8
69.03316	3.2
69.50352	0.8
71.01250	23.0
71.04897	1.2
71.14579	1.7
73.02803	1.9
80.02544	2.8
81.03310	2.7
83.01256	1.6
83.04886	5.9
84.02058	2.7
85.02818	3.0
92.99722	1.8
93.03326	3.5
94.02857	3.0
95.01302	1.1
95.04899	5.4
97.02828	1.8
97.06474	6.2
107.04910	1.7
108.02081	1.3
109.06488	1.4
111.08022	3.0
120.02046	1.0
121.02840	62.8
121.14327	0.7
122.03130	4.2
123.04424	1.0
123.08016	1.9
124.03915	8.1
125.02341	1.5
125.09623	7.3
134.03616	1.7
135.04404	1.4
135.08052	2.4
136.01534	1.0
136.98721	1.1
137.05994	2.1
137.09531	1.5
140.10829	0.8
145.10126	2.3
147.11707	3.2
149.09633	1.2
149.97034	0.8
151.11188	31.0
152.11514	2.7
153.12756	4.8
161.02351	1.6
161.09622	1.6
163.11169	9.6
164.98251	1.3
165.01826	0.9
165.05515	2.2
165.09102	1.5
165.12764	22.5
166.13092	2.4
167.03401	0.8
167.10687	1.1
173.09654	2.6
179.03436	1.9
179.10678	6.6
181.12254	41.4
182.12566	2.3
191.10706	17.9
192.11029	2.2
194.02147	1.2
194.05791	2.3
209.00890	0.8
209.02737	1.1
209.04518	10.3
209.08322	2.8
209.11769	100.0
209.94894	2.9
210.12157	8.6
219.79504	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1177
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	9.4
58.00451	1.3
59.01244	2.8
59.33619	0.7
61.98691	1.3
69.03316	2.5
70.85499	1.2
70.85868	2.1
71.01254	19.1
71.04881	1.2
71.56069	0.7
73.02820	2.2
80.02547	2.2
81.03313	1.8
83.04898	5.7
84.02042	1.8
85.02831	2.3
92.99721	1.1
93.03329	2.7
94.02858	1.9
95.04896	4.2
97.06463	5.1
107.04928	1.1
109.06475	1.1
111.08063	2.8
120.02057	0.9
121.02845	35.4
122.03132	1.6
123.08035	2.1
124.03909	3.5
125.02328	1.7
125.09615	5.8
134.03621	1.0
135.08018	1.4
137.05992	1.2
137.09636	1.3
144.00554	1.3
145.10126	2.0
147.08058	0.9
147.11627	1.6
149.09637	1.5
151.03949	1.0
151.11183	28.2
152.11510	3.0
153.12741	2.4
161.02132	0.8
161.09639	1.3
163.11189	6.8
164.11485	1.2
165.05486	1.2
165.12761	28.1
166.13078	1.4
167.10654	1.9
173.09628	3.7
174.11044	0.7
179.10686	6.7
181.12253	32.1
182.12633	3.3
188.34332	0.8
191.10683	16.6
192.11024	1.8
194.05801	1.2
209.04472	6.8
209.11766	100.0
210.07739	1.0
210.12140	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	209.1178
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03313	2.6
59.01244	3.3
61.98697	9.2
66.03358	0.9
67.02487	0.8
69.03325	1.8
69.64171	1.7
69.64582	4.1
71.01256	10.0
73.02808	0.8
75.86012	0.7
81.03349	3.1
83.01253	6.3
83.04882	3.7
84.02065	1.1
84.76168	0.8
85.02840	4.0
91.01794	1.2
92.99666	1.0
93.03331	2.3
94.02887	4.3
95.01257	1.1
95.04902	2.7
97.02843	1.3
97.06458	3.9
98.20572	0.7
103.14587	0.7
107.04881	1.5
107.11979	0.7
108.02076	1.4
109.02869	1.7
109.06485	2.0
111.08039	1.0
115.02732	0.8
121.02846	100.0
121.06438	1.2
122.03136	5.1
123.00748	1.4
123.04382	2.0
124.03938	11.0
125.02351	1.9
125.09612	7.1
129.71748	0.7
134.03625	0.8
135.04408	2.3
135.08046	0.8
136.01540	2.0
136.98645	0.7
137.02336	1.5
137.05974	1.7
139.03880	1.2
144.00462	0.8
145.10124	1.1
147.11707	1.0
151.03941	1.8
151.11183	11.9
152.11433	0.8
153.12805	1.9
158.22551	0.8
161.02390	0.9
161.17947	0.7
163.11200	5.5
165.01746	1.0
165.05473	3.3
165.09125	1.0
165.12769	8.9
166.94101	0.8
167.03389	0.8
172.87761	0.7
173.09639	1.5
179.03409	2.3
179.10686	1.5
180.06554	0.7
181.04951	1.9
181.12273	17.4
182.12596	1.4
191.03400	1.1
191.10689	8.8
192.11020	0.9
194.02138	2.7
194.05844	1.2
196.74501	0.7
209.00912	0.7
209.04510	20.3
209.11772	50.8
209.94818	3.1
210.04924	2.6
210.07690	1.7
210.12189	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	209.1176
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49698	0.6
55.01761	1.4
56.10228	0.8
57.03316	3.6
59.01252	3.3
61.98702	17.6
65.00195	0.8
67.01768	0.7
69.03319	2.5
69.42999	1.3
69.43406	4.5
71.01250	7.3
71.04890	2.1
71.42550	0.7
73.02818	1.3
75.00738	0.7
80.02551	1.5
81.03335	4.5
83.01253	14.2
83.04894	5.0
84.02045	0.8
84.04440	0.8
85.02826	1.9
91.01768	1.5
92.99712	1.6
93.03349	3.3
94.02853	5.2
95.01299	1.3
95.04903	2.9
95.41360	0.7
96.95902	1.1
97.02860	1.4
97.06450	5.0
97.85563	0.7
107.04935	1.0
108.02100	1.4
109.02840	1.7
111.04411	0.9
111.08043	1.6
118.94057	1.7
120.02022	1.3
121.02840	100.0
122.03122	5.6
123.00755	0.8
123.04398	1.8
123.08024	1.6
124.03931	13.7
125.02329	1.1
125.09618	12.1
128.03456	0.9
133.16670	0.7
134.03558	0.7
135.04402	2.6
135.08084	2.1
136.01569	2.0
137.02332	1.6
137.05977	2.4
139.03955	0.9
145.10123	1.3
147.07977	0.7
147.11694	1.4
151.03903	1.2
151.11191	11.8
152.11505	1.3
153.12769	1.0
161.02309	1.5
163.11200	9.0
164.11610	0.9
164.94099	1.0
164.98148	1.1
165.05469	2.5
165.09047	1.2
165.12767	12.1
166.94235	1.1
167.03465	0.8
167.10669	0.8
173.09613	1.2
178.99767	0.9
179.03418	2.6
179.10658	2.8
181.04956	1.4
181.12247	11.9
182.12617	1.4
191.03412	0.9
191.07156	0.8
191.10686	9.6
192.23935	0.7
194.02139	2.6
194.05753	1.4
209.01093	1.2
209.04509	19.5
209.08099	3.3
209.11765	77.3
209.94844	5.3
210.07726	1.9
210.12079	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	209.1178
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01768	2.5
57.03318	1.9
59.01262	2.1
61.98705	14.4
66.03349	1.3
68.31608	0.6
68.99744	0.8
69.03336	1.3
70.09669	3.2
71.01253	1.2
71.04897	1.0
73.71155	0.7
80.02544	1.2
81.03340	4.8
83.01260	24.7
83.04894	4.5
84.01598	0.7
84.02061	1.2
84.04447	0.8
85.02827	1.5
92.99715	1.1
93.03329	1.8
94.02852	3.4
94.06600	0.7
95.01269	1.2
95.04887	3.4
97.06489	4.4
107.01332	0.8
107.04936	0.9
108.02088	1.0
109.02837	2.2
111.04401	0.8
118.94141	1.0
119.04879	0.7
120.02038	1.2
121.02848	100.0
122.03155	5.9
123.00772	0.9
123.04411	1.9
123.08035	2.1
124.03944	11.2
125.02412	0.9
125.09616	19.2
126.09929	1.2
127.73325	0.8
135.04430	1.7
135.08069	2.5
136.01523	1.5
136.98769	1.1
137.02342	1.6
137.06003	1.6
138.03203	0.8
139.03902	1.6
147.11827	0.9
151.00320	0.8
151.03932	1.8
153.05518	0.8
161.02457	0.9
163.11179	8.3
164.11476	1.2
165.01877	1.2
165.05484	2.5
165.09143	1.4
165.12741	2.6
166.02531	0.8
166.94279	0.7
167.03345	0.9
179.03409	2.6
181.05020	1.3
181.12312	1.9
191.03421	1.3
191.10722	6.5
194.02188	1.8
194.05766	1.8
209.04533	19.4
209.08141	4.0
209.11774	74.0
209.94749	3.3
210.04999	1.4
210.07623	1.5
210.12151	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	209.1176
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57567	0.4
55.01757	2.7
57.03316	2.0
59.01236	1.6
61.98699	4.4
66.03367	0.5
69.03320	1.2
70.78916	1.1
71.01240	2.1
71.04879	1.4
72.99183	0.4
73.02793	0.4
79.95515	0.4
80.02547	1.0
81.03330	4.9
82.20435	0.4
83.01254	30.7
83.04906	3.2
84.01577	1.2
84.02052	1.1
85.02811	1.1
91.01750	0.6
92.99712	0.8
93.03302	0.7
94.02872	1.1
95.01264	0.6
95.04893	2.1
97.02797	0.8
97.06472	4.8
99.00754	0.8
99.33885	0.4
105.03353	0.5
107.04908	0.4
108.02031	0.7
109.02811	0.9
109.06472	1.0
110.03574	0.5
111.08052	0.7
118.94102	0.8
121.02840	30.5
122.03166	1.6
123.08033	2.9
124.03946	3.6
125.09604	25.2
126.09952	1.7
134.03621	0.5
135.04462	0.6
135.08038	2.5
137.02325	0.4
137.06000	0.7
137.09610	0.4
145.10170	0.4
147.11687	1.1
147.99797	0.3
149.09625	0.4
151.03986	0.6
151.11194	1.6
161.09557	0.4
163.11183	10.1
164.11504	0.9
164.98145	0.6
165.05484	0.8
165.12758	4.5
167.10962	0.5
173.09627	0.9
176.04620	0.7
179.03400	0.4
179.40079	0.4
181.12259	3.6
191.10681	10.5
192.11098	0.6
194.02173	0.6
194.05725	1.1
206.22421	0.4
209.04527	5.4
209.11758	100.0
209.94730	0.9
210.12141	8.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.066
Annotation	beta-D-Sedoheptulopyranose
Peak:m/z	Relative Intensity
53.75818	0.7
55.01738	2.7
57.03064	1.3
57.03324	21.2
58.00443	1.6
59.01252	18.2
68.99676	2.3
69.03310	1.1
71.01254	27.5
71.50896	1.4
72.01564	1.0
72.99181	6.4
73.02802	3.0
73.78302	0.9
75.00742	3.3
78.95767	0.7
83.01266	6.3
83.04890	1.4
84.02036	5.2
85.02824	100.0
86.03145	3.0
87.00753	14.6
88.01089	1.2
89.02323	9.6
93.03320	1.3
94.02864	1.4
97.02830	2.1
99.00733	2.2
101.02308	3.4
103.00224	1.7
109.02824	1.3
111.00766	8.5
121.02815	5.8
124.03943	3.9
125.02306	1.0
127.42249	0.8
129.00900	1.4
129.01836	23.5
133.01306	6.8
135.04425	1.3
137.05972	2.1
141.01825	2.0
147.02856	3.0
159.02933	4.1
165.05469	2.3
181.59830	0.7
191.01917	15.4
191.05415	1.0
194.02151	0.8
209.02936	13.6
209.04607	3.2
209.06561	33.1
209.11772	1.7
210.07097	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	209.0813
Annotation	Sinapyl alcohol
Peak:m/z	Relative Intensity
53.51691	0.6
56.80529	0.6
57.03320	0.9
59.01245	2.2
65.01291	0.8
65.11703	0.6
65.99732	0.8
66.03347	0.7
70.36514	1.7
70.36855	0.7
71.01254	4.0
72.99162	3.5
73.02808	4.4
78.95786	1.0
80.40415	0.6
83.01232	0.8
83.04881	0.9
85.02816	2.6
89.16975	0.6
91.05400	65.5
92.05727	3.0
93.03341	3.3
94.02865	1.5
97.02789	1.0
106.19733	0.6
108.02038	1.1
109.02795	1.0
110.56642	0.6
117.01836	3.7
117.03336	7.9
119.04919	3.8
121.02837	49.3
122.03191	2.0
123.04404	1.5
124.03934	7.1
135.04411	18.2
136.01532	1.2
136.04816	0.9
137.02318	1.3
137.05956	1.0
138.03035	0.6
139.05040	0.6
140.93933	0.6
142.03979	0.8
147.04416	19.5
147.08067	0.8
148.04803	1.4
149.02316	0.8
149.05949	1.7
151.00290	0.7
156.05537	1.4
161.02365	0.9
163.02567	0.9
163.03917	16.7
163.07571	4.2
164.04276	1.2
164.07822	0.6
165.05478	27.6
166.02654	0.6
166.05867	1.8
167.03401	0.7
179.03409	2.0
183.06691	1.5
191.01924	0.7
191.07033	6.6
194.02098	2.1
194.05759	1.2
209.04539	8.3
209.08122	100.0
209.11679	3.5
210.08463	9.1
220.83997	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0298
Annotation	D-Glucarate
Peak:m/z	Relative Intensity
50.31114	2.0
52.38195	2.1
57.03324	5.2
58.92460	2.1
59.01240	8.4
61.12762	2.3
70.50983	6.4
71.01239	9.0
83.01260	2.3
85.02824	100.0
86.03109	3.1
89.02322	3.5
94.55373	2.4
103.00230	3.4
111.00742	2.7
125.00362	2.0
129.01831	6.5
133.01372	13.2
147.02895	5.3
183.02815	2.2
191.01909	31.4
203.54341	1.9
209.02980	40.4
219.90765	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	209.0296
Annotation	D-Glucarate
Peak:m/z	Relative Intensity
53.14186	0.4
55.01752	2.1
57.03322	15.5
58.00461	0.7
59.01250	18.9
60.01605	0.4
66.52399	0.4
68.33911	0.4
68.99671	2.6
69.52161	3.3
71.01252	36.5
72.01576	1.0
72.99178	7.8
73.02798	1.3
75.00748	6.2
83.01257	3.3
83.62335	0.4
84.02039	2.7
85.02821	100.0
86.03155	3.3
87.00748	4.7
89.02315	12.7
95.17418	0.4
96.95859	0.5
99.00757	0.9
101.02311	1.7
103.00233	1.8
111.00768	3.8
112.98700	1.5
115.00253	2.7
121.02808	0.9
124.03949	1.2
129.01828	7.7
133.01317	11.2
135.04428	0.5
142.99756	5.7
144.44353	0.4
147.02876	2.1
173.00798	1.9
186.49901	0.5
191.01903	10.5
192.02286	0.5
209.02936	12.2
209.06450	0.9
209.11865	1.0
210.03235	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0297
Annotation	D-Glucarate
Peak:m/z	Relative Intensity
55.01762	1.8
56.57697	0.6
57.03322	13.5
59.01249	14.3
61.12087	0.6
68.99691	2.1
70.01088	2.7
71.01251	28.2
72.99181	9.0
73.02819	0.9
75.00748	6.5
83.01254	2.6
84.02022	3.0
85.02821	100.0
86.03149	2.8
87.00737	4.2
89.02316	10.4
99.00733	0.7
101.02315	1.4
103.00254	2.9
108.69906	0.6
111.00761	6.1
115.00265	2.3
121.02819	3.7
124.03928	1.6
125.02282	0.7
129.01823	7.9
133.01315	11.8
135.04404	1.1
137.02362	0.6
147.02887	3.6
163.04085	0.6
165.05385	1.0
173.00818	1.7
191.01884	21.5
191.06995	0.7
192.02185	1.0
194.02115	0.9
204.62799	0.7
209.02927	22.3
209.04437	1.5
209.08112	0.8
209.11703	1.6
210.03218	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0298
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95149	0.3
55.01764	1.8
57.03321	9.3
57.13964	0.3
58.00452	0.6
59.00956	0.6
59.01248	9.0
61.40199	0.4
68.99687	1.2
69.03342	0.5
70.25700	1.4
71.01254	15.5
72.01627	0.4
72.99171	3.8
73.02805	1.2
75.00741	2.3
78.95776	1.3
79.95602	3.5
81.03282	0.3
83.01254	2.7
83.04885	0.5
84.02024	2.2
84.04479	0.4
85.02821	60.7
85.99969	0.3
86.03162	2.0
87.00745	5.6
89.02313	5.5
94.02878	0.8
96.95887	100.0
97.02827	0.7
98.77680	0.4
98.95484	0.5
99.00758	1.4
101.02315	1.3
103.00256	1.1
109.02808	0.4
111.00763	4.0
115.00269	0.9
121.02843	4.0
124.03933	3.6
125.02287	0.6
128.03458	0.7
129.01826	12.2
130.02158	0.4
131.03426	0.3
133.01312	5.6
135.04407	0.4
137.02345	0.5
137.06018	0.6
141.01831	1.2
142.99742	1.8
147.02898	1.6
147.07965	0.4
159.02913	1.8
165.01874	0.3
165.05457	0.6
166.91023	0.4
167.03442	0.5
173.00885	1.1
179.03455	0.4
191.01898	10.7
191.03404	0.6
191.05475	0.5
194.02046	0.4
209.01181	1.0
209.02965	14.4
209.04552	1.8
209.06615	16.8
209.11766	1.4
210.03259	0.5
210.05138	0.4
210.07089	1.0
210.11380	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.012
Annotation	Unknow
Peak:m/z	Relative Intensity
55.10873	0.3
57.03315	0.7
59.01238	1.0
68.23364	0.3
68.99708	0.3
70.78005	0.5
71.01250	2.0
71.07487	0.2
75.00720	0.4
79.95612	0.7
81.03330	1.8
83.01257	0.5
83.04916	0.4
84.02077	0.3
85.02823	4.6
87.00754	0.6
89.02298	0.7
93.03333	0.7
94.02848	0.8
96.95887	100.0
97.06472	0.3
97.95834	0.6
105.31386	0.3
107.04924	0.8
108.02064	0.7
109.02830	0.8
119.01276	0.5
119.04905	0.4
121.02837	2.6
123.04408	0.8
124.03934	2.1
129.01845	0.5
130.08620	0.5
130.81833	0.3
133.01274	0.5
135.04372	1.6
137.05989	0.6
147.04428	0.4
149.02362	0.3
151.03880	1.8
155.26300	0.3
163.03882	0.7
165.05449	0.4
167.03348	0.4
176.10330	0.3
179.03424	1.1
181.05046	0.3
191.02042	0.7
191.03424	1.2
194.02103	0.7
194.05743	0.4
209.01221	0.5
209.02785	0.5
209.03157	0.4
209.04625	2.2
209.08212	0.4
209.11765	1.3
210.11397	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.0816
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02848	33.0
59.01253	2.1
67.57361	0.6
70.02849	14.0
71.01254	0.9
71.03159	0.7
71.30120	1.6
72.00775	5.3
91.05412	5.3
121.02779	0.7
135.04416	1.9
147.04413	36.6
148.01534	0.6
148.04778	2.6
162.09119	0.8
163.00148	0.7
164.07080	100.0
165.07433	6.7
177.01839	2.9
192.04184	4.5
206.08163	32.2
207.02872	1.4
207.06558	2.3
207.08481	2.7
207.10246	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	207.0656
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03907	0.7
52.65139	0.8
58.02837	1.7
59.01247	100.0
60.01595	1.1
62.76495	0.8
71.01219	0.8
72.99184	8.2
74.63891	0.8
95.67287	0.7
98.20593	1.6
103.05426	1.3
106.04095	0.8
119.04917	10.1
147.04410	97.6
148.04759	7.6
149.02295	0.9
163.60420	0.9
164.06970	0.8
165.05475	82.5
166.05795	6.1
177.01834	3.8
181.05095	1.2
192.04175	4.8
207.01205	1.7
207.02917	2.7
207.06551	3.0
207.08383	1.7
207.13823	1.1
208.06004	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0119
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03313	0.8
58.82724	0.3
59.01244	0.9
64.22622	0.2
71.01248	2.1
71.38499	0.6
72.99173	0.6
73.12290	0.3
75.00756	0.3
79.95606	1.0
81.03323	0.7
83.01250	0.6
83.04882	0.4
85.02822	4.0
85.47122	0.3
89.02313	0.3
91.40205	0.3
93.03336	0.3
94.02847	0.5
95.04877	0.5
96.95885	100.0
97.02821	0.3
97.95840	0.3
100.00587	0.3
109.02814	0.4
111.04295	0.2
117.88112	0.3
121.02849	3.6
123.00742	0.4
123.04386	0.7
124.03947	1.9
125.02370	0.3
130.08589	0.5
135.04401	1.2
137.05981	0.7
149.02440	0.3
151.03865	0.7
165.05493	0.7
166.02515	0.4
167.03429	0.4
172.10841	0.3
179.03407	1.0
191.01836	0.5
191.03391	0.6
194.05856	0.4
201.43433	0.3
209.01239	0.6
209.02820	0.5
209.04613	2.6
209.08095	1.0
209.11766	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.0817
Annotation	N-Acetyl-D-phenylalanine
Peak:m/z	Relative Intensity
56.87999	2.8
58.02846	37.8
69.54469	8.3
69.54881	16.0
70.02843	13.5
72.00758	5.0
78.00050	2.9
91.05408	15.2
147.04433	35.9
148.04790	4.2
164.05655	5.1
164.07077	100.0
165.07343	6.8
181.92122	3.7
206.08173	29.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.0816
Annotation	Streptazolin
Peak:m/z	Relative Intensity
50.47488	0.5
58.02852	1.6
59.01256	2.7
65.99678	0.5
67.77567	0.6
70.58015	1.4
74.71419	0.5
75.98003	0.5
76.79338	0.6
91.01765	0.7
93.03322	1.1
99.00753	0.7
100.03925	0.7
119.04913	100.0
120.05247	5.3
122.16495	0.5
123.04425	0.7
130.04095	3.0
131.04857	0.8
134.03488	0.6
134.06004	1.5
135.04410	0.8
144.04457	2.4
146.02353	0.8
147.04442	1.3
149.02319	0.7
158.06001	1.3
160.03831	0.6
162.05371	0.6
163.04013	0.6
163.47363	0.6
164.07076	2.8
165.05373	0.6
177.01819	3.3
179.03404	0.8
188.07039	1.7
192.04239	3.8
206.08153	35.6
206.99254	0.6
207.02936	2.1
207.06560	2.6
207.08516	2.7
221.13953	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1592
Annotation	(E,E)-4,4,8-Trimethyl-2,8-cycloundecadien-1-one
Peak:m/z	Relative Intensity
58.02837	0.4
58.46984	0.2
59.01241	0.3
61.80968	0.3
65.81406	0.2
68.67574	0.3
69.58227	0.2
70.82243	0.2
70.98461	0.5
71.01246	0.4
79.68730	0.3
103.04911	0.2
161.06007	0.3
189.12735	1.7
205.04944	0.6
205.15909	100.0
206.08118	0.3
206.16252	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	206.0426
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71828	0.6
55.01756	1.2
57.03327	3.4
58.00469	3.5
58.02844	1.8
59.01246	35.6
60.01588	3.1
60.99181	4.0
63.02277	0.7
63.56887	0.8
68.99689	9.8
70.00008	0.9
71.01251	21.3
71.49028	1.0
71.49445	0.7
72.01258	0.7
72.01585	4.1
72.99178	30.4
73.02813	5.0
73.99521	2.3
74.03166	0.7
75.00740	14.5
76.01102	1.1
76.49504	0.7
79.95618	0.9
80.96397	1.3
83.01248	3.9
84.01575	1.1
84.99168	4.0
85.02835	4.7
85.03278	0.8
85.99973	0.7
87.00748	57.2
88.01070	5.0
89.01144	0.8
89.02320	2.2
96.95885	10.3
96.99189	1.9
97.02825	2.1
98.35380	0.7
98.95470	1.5
99.00748	16.9
100.01089	1.2
100.98682	7.2
101.02313	5.4
103.00246	10.0
105.01857	0.7
107.67454	0.7
111.00749	2.9
112.01058	1.1
112.98692	16.3
113.02327	2.8
113.99001	0.8
115.00242	8.3
116.00579	8.1
117.00690	1.1
117.01826	7.1
118.03239	0.7
124.98644	0.7
127.00266	1.5
127.03871	1.2
128.00540	0.9
128.98146	0.8
129.01830	19.3
130.02161	1.5
130.99751	100.0
132.00110	2.4
138.56589	0.6
142.99751	5.3
144.00555	21.9
145.01323	59.0
146.01613	3.3
147.02878	1.9
147.04370	1.0
149.02332	1.3
154.64728	0.6
156.00056	1.0
157.00002	1.2
157.01314	24.4
158.01813	1.2
163.02481	1.2
163.03777	1.1
164.07063	2.4
174.01613	1.0
176.02669	1.1
177.01797	4.5
189.03920	0.9
191.02164	0.9
192.04155	4.1
206.01338	1.2
206.04231	29.8
206.08102	1.6
206.16176	0.7
206.99605	1.8
207.02995	1.6
207.04848	3.3
207.06607	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	205.0346
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01758	6.1
58.00450	5.4
58.45286	1.9
59.01246	74.9
60.29625	2.2
60.99167	2.8
68.99685	17.8
70.35851	3.6
70.36217	4.1
71.01246	93.7
72.01581	2.4
72.99174	48.0
73.02818	9.5
75.00743	38.5
83.01267	12.1
87.00743	57.5
89.02310	6.5
96.99193	8.2
98.19835	2.1
99.00753	34.0
100.98723	2.3
101.02317	8.6
103.00234	12.2
111.00773	13.7
112.98687	9.8
115.00248	100.0
116.00586	2.7
117.01836	15.9
124.98705	17.7
127.00262	12.0
129.01819	13.4
130.99757	16.9
133.01295	2.5
142.99768	25.4
144.00542	2.4
145.01334	24.1
154.99792	17.2
157.01285	4.9
173.00833	5.7
175.02383	8.4
203.31943	2.1
205.01579	2.3
205.03336	4.5
205.05112	3.2
205.15851	5.0
206.04311	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	205.0347
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40631	1.5
50.82053	1.5
55.01755	8.4
57.03315	3.2
58.00467	5.0
59.01250	85.4
60.99178	2.7
68.99684	14.6
69.81897	6.7
71.01252	99.0
72.01606	1.8
72.99177	50.4
73.02820	9.7
75.00742	37.3
83.01247	11.6
85.02823	7.0
87.00746	60.8
89.02318	6.2
96.95935	2.2
96.99187	10.4
99.00755	39.8
100.98682	2.3
101.02319	12.3
103.00254	9.6
111.00756	27.8
112.98695	11.0
115.00253	100.0
116.00595	3.3
117.01826	14.7
124.98689	16.4
127.00244	13.9
129.01837	17.2
130.99747	19.7
142.99739	23.7
144.00552	5.2
145.01328	24.0
154.99782	20.6
157.01315	5.8
173.00819	6.2
175.02400	7.4
205.03442	7.3
206.04266	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	205.0347
Annotation	Unknow
Peak:m/z	Relative Intensity
54.17476	0.5
57.03320	3.3
58.00460	0.6
58.89054	0.5
59.01238	1.2
67.01756	6.8
67.14590	0.5
70.51316	1.5
71.01247	0.8
72.99186	0.9
73.02818	5.0
81.03338	0.9
83.01254	0.7
85.02843	1.2
87.00748	48.9
88.01097	1.3
94.55996	0.4
96.95886	7.6
97.95827	0.8
98.95470	2.9
98.96319	0.6
99.04410	2.5
101.02293	0.5
101.87953	0.5
111.00760	100.0
112.01102	4.2
115.00301	0.6
115.03880	1.0
115.87569	0.4
118.07322	0.5
128.76085	0.5
136.56703	0.5
143.03398	10.3
154.99759	1.1
171.07715	0.6
173.00841	1.6
177.98848	1.3
187.65895	0.5
204.99933	2.1
205.03479	1.7
205.05098	1.1
205.06725	0.6
205.15953	0.9
205.99284	1.6
215.58192	0.5
217.81418	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.0347
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01753	7.7
57.03054	1.4
57.03323	21.8
58.02847	7.1
58.03661	0.8
59.01243	5.7
65.01331	0.9
65.99728	1.1
67.01752	3.1
68.01288	0.8
68.99671	1.7
70.02850	2.7
71.01253	33.4
72.00780	1.6
72.01576	0.9
72.99185	2.9
73.02817	4.7
75.00749	6.5
83.01257	21.5
84.01598	0.8
84.02044	3.4
85.02821	100.0
85.99982	1.7
86.03152	2.8
87.00748	2.5
88.01507	0.8
90.80383	0.8
91.05418	2.1
94.54780	0.7
96.95908	1.8
98.19981	3.7
99.00788	1.2
101.02313	15.6
101.02935	1.3
103.03886	3.0
111.00762	52.2
112.01094	2.4
115.00257	1.0
119.04832	0.9
122.03545	0.9
129.01807	7.1
135.04369	1.1
136.05058	1.1
143.03355	1.0
147.04434	7.6
148.05086	1.3
161.02356	1.2
161.04448	5.5
161.05807	1.4
163.02663	1.3
163.03882	1.3
163.06133	1.2
164.07076	21.0
178.06146	1.0
182.21922	0.8
187.02388	1.4
190.02635	0.8
198.31560	0.8
205.01460	0.9
205.03442	18.1
205.05046	1.7
205.08696	1.3
205.15897	3.1
206.08185	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	203.9965
Annotation	Unknow
Peak:m/z	Relative Intensity
59.67878	0.1
69.28533	1.3
79.95622	0.4
80.96381	0.2
81.48089	0.1
86.35616	0.2
86.56734	0.1
96.95883	100.0
97.02828	0.3
97.95837	0.6
103.55959	0.1
128.49220	0.2
167.14120	0.2
172.84741	0.2
176.98538	27.6
177.98839	1.3
203.99646	41.0
204.99979	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.9965
Annotation	Unknow
Peak:m/z	Relative Intensity
62.05049	0.3
70.82807	0.5
79.95618	0.3
80.96411	0.3
87.00742	0.4
90.32752	0.2
96.95882	100.0
97.95813	0.6
111.00751	1.0
124.28856	0.2
170.65350	0.2
176.98538	28.9
177.98845	1.2
203.99643	17.3
204.99983	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.9965
Annotation	Unknow
Peak:m/z	Relative Intensity
67.41061	0.1
69.03318	0.1
69.28717	0.8
71.01246	0.1
79.95592	0.7
80.96385	0.2
87.00751	0.2
89.42485	0.1
95.95104	0.2
96.95886	100.0
97.02817	0.3
97.95805	0.6
111.00761	0.5
115.02079	0.1
145.83710	0.1
160.28886	0.1
168.07777	0.1
176.98546	17.2
177.98860	0.7
203.99655	14.6
204.99977	0.6
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
58.59167	0.9
59.01249	100.0
60.01578	2.1
61.84555	0.9
69.70496	0.9
70.83416	1.9
71.04877	1.0
85.02807	1.1
95.77291	1.1
96.95889	14.8
99.08047	5.9
107.02416	1.2
116.02432	1.3
119.04904	0.9
122.81658	1.0
143.07053	3.7
147.04402	1.3
159.04413	1.8
159.07951	1.3
160.03908	1.2
161.04527	1.0
175.03896	2.0
175.07549	1.1
176.04634	1.9
176.98511	3.1
198.78697	1.1
203.03424	3.3
203.05511	3.4
203.07137	2.6
203.09050	2.2
203.10815	1.1
203.99638	4.3
204.06618	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	203.0818
Annotation	L-Tryptophane
Peak:m/z	Relative Intensity
58.02846	0.7
59.01246	9.5
65.01316	0.7
65.99706	0.8
70.71326	0.7
71.11570	0.8
71.11916	1.3
72.00774	25.2
72.37717	0.5
74.02341	35.3
78.70881	0.7
87.75142	0.7
96.95890	10.0
116.04940	100.0
117.04575	0.9
117.05277	6.8
118.06512	2.6
130.06520	3.1
131.04984	0.6
134.02458	0.7
134.03484	1.0
142.06520	29.5
143.06866	2.3
144.04411	0.7
157.07603	0.9
159.04388	1.4
159.09172	16.9
159.10524	0.8
160.09482	0.7
161.04655	1.8
175.03917	0.9
176.04547	1.5
176.98526	2.3
186.05508	4.7
186.06927	0.7
203.03491	1.5
203.08200	59.9
203.99672	3.0
204.08525	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	203.0819
Annotation	L-Tryptophan
Peak:m/z	Relative Intensity
59.01250	5.6
69.37866	3.9
69.38297	3.3
71.01245	1.3
72.00773	28.9
74.02338	39.1
77.41925	0.9
82.48014	1.0
99.00755	0.9
108.71089	0.9
116.04942	100.0
117.05305	5.9
128.75916	1.0
130.06549	2.9
131.01332	1.0
132.08041	0.9
141.25871	0.9
142.06526	30.9
143.06895	2.2
147.04404	1.3
159.04410	1.2
159.09186	14.5
160.01506	0.9
161.04614	1.4
179.08047	1.0
186.05467	5.6
187.05795	1.2
203.03432	3.5
203.05324	2.2
203.08249	48.8
203.12556	1.5
204.06819	0.9
204.08548	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	203.0555
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	0.4
59.01250	100.0
60.01592	1.3
65.99719	0.6
67.05973	0.4
69.03320	0.6
71.01251	6.0
73.02825	1.4
82.36837	0.4
83.01226	0.5
83.78056	0.4
85.02822	1.8
90.47586	0.4
96.95861	2.4
101.02347	0.8
113.02339	1.3
132.04414	0.5
133.04080	0.6
134.03537	0.5
148.04007	0.5
157.04013	0.6
159.04417	0.5
161.04559	0.8
163.02654	0.7
176.03445	1.2
176.98528	0.9
203.03342	0.5
203.05565	1.9
203.07202	0.8
203.99716	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1489
Annotation	11-Hydroxyundecanoic acid
Peak:m/z	Relative Intensity
51.65558	0.6
56.25996	0.6
57.01913	0.7
59.01250	43.0
60.01575	0.7
61.98706	5.5
63.11324	0.7
65.01303	2.2
65.99712	1.6
68.01281	0.7
69.22040	0.6
70.77163	0.8
70.77521	1.4
71.01274	1.4
73.02827	1.1
82.03967	1.2
85.02822	1.3
87.04386	5.9
91.02876	0.7
93.03445	0.6
94.00025	0.6
95.04935	0.8
99.00707	1.1
99.92451	2.5
106.04023	1.3
107.06091	0.6
111.00791	0.8
111.08043	0.7
116.02354	0.6
116.92745	6.1
125.09624	0.9
129.05531	0.8
130.03934	0.8
132.05553	2.6
134.03539	1.0
137.28035	0.6
139.11208	4.7
141.93562	2.6
142.04039	1.0
148.05037	0.9
155.14311	6.0
157.05222	0.8
157.06483	0.9
157.08662	0.9
158.03587	0.9
159.01396	1.9
159.03003	0.9
159.06638	1.7
159.89313	0.9
160.05057	1.4
164.83553	5.0
166.83269	1.6
170.34441	0.7
171.06702	0.8
173.05972	1.8
174.06584	2.9
175.04727	0.7
175.06169	2.2
183.10139	1.7
183.13814	2.1
191.33507	0.7
199.13263	1.2
200.90295	0.9
201.02478	3.4
201.04019	1.2
201.05525	4.2
201.07686	3.1
201.11261	9.1
201.14891	100.0
201.80093	2.3
202.01233	0.7
202.07222	1.6
202.11548	0.9
202.15239	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	201.1126
Annotation	Sebacic acid
Peak:m/z	Relative Intensity
50.75968	1.4
57.03327	7.7
59.00959	2.8
59.01249	56.9
61.98702	1.9
65.01321	9.0
65.03845	2.1
65.99711	4.7
66.03337	1.4
71.50966	2.3
73.02823	2.0
77.03817	3.0
79.11691	1.3
82.03988	3.1
83.04894	3.2
85.02795	1.9
87.04388	10.6
89.03838	10.5
90.00830	1.5
91.02853	2.8
93.04430	2.1
94.12456	1.5
99.00743	1.6
99.92471	3.2
101.45898	1.6
103.01456	1.7
104.89882	1.5
106.03982	5.0
107.02368	2.1
111.08024	4.2
116.92690	4.3
119.02424	3.5
121.03950	2.5
121.05141	1.7
122.03524	1.7
125.09686	1.8
130.04077	3.1
132.05539	9.9
133.03949	5.4
133.05019	3.6
134.03435	1.7
137.09663	3.9
139.07558	2.2
139.11180	99.6
140.11525	6.2
141.93504	4.3
142.04033	2.0
147.05508	2.9
147.06604	1.8
148.05031	3.5
155.10657	1.8
156.05743	7.4
157.05171	1.9
157.06467	4.9
157.08554	1.9
157.12260	1.9
158.03546	2.6
159.01393	2.3
159.02921	1.7
159.06674	3.7
159.89339	2.3
160.05075	3.6
161.05852	1.9
164.83588	2.6
173.05988	4.6
174.03059	2.8
174.06581	8.3
175.06171	7.2
183.10187	35.6
184.10460	1.9
201.02437	2.9
201.03967	3.4
201.05515	6.4
201.07579	14.4
201.11250	100.0
201.80157	2.2
202.04837	2.7
202.07289	5.0
202.11566	7.8
213.72029	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	199.1333
Annotation	(-)-NFX 2
Peak:m/z	Relative Intensity
54.82835	0.3
55.01739	0.5
57.03297	0.9
59.01237	1.5
61.98694	1.5
65.01328	0.9
67.01762	1.3
68.99683	0.5
69.03333	0.8
71.01236	1.2
71.04888	3.6
71.06010	0.8
72.99165	0.6
73.02822	0.9
81.03307	0.7
83.01244	0.8
83.04895	1.5
85.02823	2.1
87.00760	0.7
91.02882	0.5
92.99693	1.6
93.03350	0.7
97.02856	0.9
97.06474	0.9
99.00779	2.1
99.04398	1.8
99.08039	0.7
105.78265	0.4
106.03986	0.4
109.02842	1.0
109.06464	0.7
111.00778	2.2
111.08000	0.6
113.02329	1.6
119.04564	0.4
125.05960	0.7
125.09615	1.4
127.00266	0.7
127.03897	1.9
127.07524	0.4
127.11192	0.8
128.85493	0.4
130.03970	0.7
136.98743	0.7
137.02328	0.5
137.05945	0.7
137.09633	1.3
138.68921	0.4
139.03925	0.7
141.12733	1.3
153.05388	0.5
153.12711	0.4
154.99768	0.6
155.07063	0.6
155.10686	8.2
155.14307	3.8
156.11057	0.5
156.89403	0.8
157.05154	0.7
158.03564	0.4
162.83817	3.7
164.83510	3.9
165.63011	0.4
169.12273	2.7
171.10216	0.4
172.05034	0.7
173.04605	0.5
181.08641	0.7
181.12297	0.5
197.88919	0.4
199.06105	3.8
199.09695	3.5
199.13324	100.0
199.16896	3.0
199.80386	2.4
200.09535	0.4
200.13663	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	199.1333
Annotation	(-)-NFX 2
Peak:m/z	Relative Intensity
51.57049	0.5
57.03321	1.8
59.01254	3.0
61.98705	8.3
65.01312	2.0
66.00827	0.7
67.01756	1.1
68.04921	2.5
68.99672	0.8
69.03322	0.8
70.06226	1.8
70.06595	1.2
71.01238	2.0
71.04552	0.6
71.04879	4.6
72.99161	0.9
73.02813	2.0
81.03345	1.2
83.01253	1.5
83.04892	2.0
85.02825	2.8
87.00726	1.0
87.02589	1.2
88.84109	0.6
89.01314	1.0
92.99645	0.8
95.04897	1.0
97.06451	0.9
99.00755	4.0
99.04385	1.0
99.08022	1.7
105.04451	0.8
106.03970	1.1
109.02857	0.7
110.02380	0.7
111.00757	1.3
111.04417	0.9
111.08059	1.6
113.02344	3.0
125.02346	1.1
125.09585	1.2
127.03911	2.9
127.11174	3.8
130.04008	1.5
137.05952	1.5
137.09602	1.4
139.03868	0.9
143.03598	0.7
153.12758	2.6
154.99820	0.8
155.07022	1.5
155.10678	8.1
155.14296	1.2
156.03174	0.8
157.05106	1.9
158.03528	1.3
158.07155	0.7
162.83801	11.5
163.11110	1.1
164.83519	9.2
169.12289	0.9
171.10211	0.9
172.05029	1.7
173.04620	1.5
181.05023	0.9
181.08588	1.1
181.12227	1.5
197.11740	2.2
198.90694	1.7
199.06113	7.1
199.09802	3.6
199.13326	100.0
199.16951	3.2
199.80449	8.3
200.03366	0.8
200.05666	1.1
200.07387	0.8
200.09491	1.3
200.13660	7.8
205.84010	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.0969
Annotation	2-Hydroxycampholonic acid
Peak:m/z	Relative Intensity
56.63001	0.2
57.03320	0.2
58.00476	0.2
59.01239	0.4
63.68746	0.1
65.01312	0.2
69.03328	0.2
70.43467	0.4
83.04899	0.5
87.01450	0.1
87.20172	0.1
130.04010	0.2
134.72414	0.2
135.34801	0.2
137.09615	6.2
138.09941	0.4
155.10678	100.0
156.11018	7.6
156.12361	0.2
169.12218	0.4
181.08598	0.7
199.09692	7.9
199.13365	1.1
199.16908	0.2
200.10017	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.1333
Annotation	UNII-UOM92D5748
Peak:m/z	Relative Intensity
53.91591	0.8
57.03318	3.1
59.01248	6.6
61.86821	0.7
61.98701	11.7
65.01318	3.1
66.00859	0.9
69.03320	2.6
69.21041	9.0
71.01256	2.8
71.04874	4.6
72.99180	1.9
73.02816	2.3
73.11514	0.9
81.03321	1.1
83.01212	1.1
83.04889	3.0
85.02828	6.6
87.00767	1.8
91.02926	1.1
93.03326	1.0
95.04903	1.0
97.02847	1.5
99.00753	5.2
99.04397	2.9
99.08035	2.1
99.92439	0.8
106.03956	1.5
109.02824	2.0
111.00760	3.1
111.04384	0.9
111.08044	1.4
113.02290	5.0
118.61557	0.9
119.04919	1.1
123.04464	1.1
125.02321	2.1
127.03920	5.2
128.03427	1.1
130.04008	1.5
131.03546	1.2
137.06001	2.4
137.09612	2.0
139.03867	2.3
144.05589	1.2
148.56825	1.0
153.05489	0.8
153.09113	1.0
155.07123	1.1
155.10689	9.9
156.89435	1.2
157.05080	1.8
158.03505	1.1
162.83813	12.8
163.11172	1.0
164.83537	11.8
169.12248	6.9
172.05101	2.8
181.05026	1.7
181.12259	18.9
182.12608	1.7
196.77901	0.9
197.11626	1.6
198.90611	1.9
198.98985	1.0
199.06116	12.0
199.09694	6.7
199.13327	100.0
199.17052	4.9
199.80406	10.3
200.03476	1.5
200.09203	1.2
200.13708	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	197.154
Annotation	METHYL 10-UNDECENOATE
Peak:m/z	Relative Intensity
50.08641	0.6
57.03312	4.2
58.57013	0.6
59.01239	1.3
59.09759	0.7
61.98698	1.9
65.00181	1.0
69.03336	2.0
71.04876	1.2
71.50964	1.0
73.02792	0.8
75.52366	0.6
80.02551	1.9
80.40513	0.7
81.03330	4.5
82.02871	0.8
83.04894	11.6
85.02824	2.9
85.06441	1.2
93.03345	1.4
95.01271	2.8
95.04890	5.1
97.02818	0.9
97.06465	28.9
98.06792	0.9
99.00800	0.7
109.02856	1.5
109.06456	3.8
111.04438	1.2
111.07302	1.5
111.08044	22.8
112.08396	1.2
112.84745	0.8
116.92731	2.0
121.02856	1.6
123.00762	9.2
123.08022	1.2
125.02338	1.5
125.05950	1.1
126.90403	1.7
135.08018	0.8
135.76781	1.0
137.02351	1.1
137.09595	1.3
138.03070	2.1
147.11705	2.7
149.09610	1.4
151.03918	0.8
153.01767	0.8
153.05461	2.0
153.09081	1.7
153.12749	5.7
154.08707	1.2
160.84125	9.7
162.83826	23.5
163.11183	9.7
165.12761	100.0
166.13103	8.6
166.99748	5.9
169.12263	0.9
178.99780	1.4
179.03404	1.4
179.10684	1.2
182.02141	13.8
182.05678	0.9
197.04427	5.3
197.08125	2.0
197.10115	1.2
197.11752	7.3
197.15425	2.7
197.80727	12.6
198.07690	1.2
209.11736	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	197.1176
Annotation	(-)-Hydroxydihydrobovolide
Peak:m/z	Relative Intensity
52.85766	0.3
55.01767	0.4
57.03316	0.4
59.01265	0.7
59.76593	0.3
61.06121	0.3
61.98705	1.4
68.30054	0.3
69.03318	0.7
70.67377	0.3
70.67703	0.7
71.04884	1.4
72.90911	0.3
78.95763	0.4
79.04555	0.3
83.04855	0.4
95.04902	0.9
97.06466	14.2
98.06818	0.6
99.08039	4.4
100.08323	0.4
109.06531	0.6
111.08065	0.5
116.92729	1.3
121.02856	0.6
122.03654	2.2
123.00759	2.1
123.04414	0.4
125.02350	0.7
125.09592	0.9
126.03113	0.8
126.90373	0.4
135.04433	0.3
135.07979	0.3
137.02382	0.4
137.09669	1.7
138.03065	0.6
151.11165	1.0
153.05489	0.5
153.12750	100.0
154.13094	8.8
160.84113	3.3
162.83813	7.7
162.85104	0.6
166.99719	1.5
171.06664	0.5
179.10689	21.3
180.11028	2.1
182.02124	3.8
197.04486	1.3
197.08186	0.8
197.10077	0.3
197.11742	7.5
197.80762	4.1
197.90263	0.3
198.07706	0.5
198.12044	0.6
214.71820	0.3
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	Unknow
Peak:m/z	Relative Intensity
51.62004	0.6
57.03305	1.4
59.01243	2.9
61.98700	4.8
65.01291	1.8
66.03390	0.5
68.99732	0.5
69.03322	2.4
69.45544	4.6
71.01242	0.6
71.04880	2.0
78.95766	1.1
83.04897	1.9
85.02818	1.0
93.03304	0.7
95.01240	2.5
95.04917	0.8
97.02845	0.6
97.06454	1.0
108.02052	0.7
109.02807	1.8
109.06438	0.9
111.00747	0.6
111.04370	0.9
111.26283	0.5
112.01545	2.3
112.03941	0.6
116.92727	2.3
117.92779	0.6
121.02816	1.9
123.00768	10.3
123.04395	0.8
123.08014	0.8
125.02301	1.5
125.09592	1.4
126.90370	2.3
132.05637	0.7
137.02324	1.7
138.03139	3.8
139.03862	0.7
141.09172	0.7
151.03857	1.0
151.11134	0.8
153.05493	3.0
153.09099	2.1
153.12778	4.0
156.05531	1.5
157.05043	1.2
158.05853	0.6
160.84097	10.7
161.84090	0.7
162.83813	30.9
166.99760	6.4
169.12245	8.4
170.07056	0.9
170.12497	0.7
171.06674	2.0
178.99699	0.8
179.03397	1.1
179.06931	0.8
179.10654	2.6
182.02129	14.3
187.97406	0.6
196.89394	0.7
197.04575	5.5
197.08157	4.7
197.11755	100.0
197.80739	15.6
198.07651	1.4
198.12111	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	197.1176
Annotation	(-)-Hydroxydihydrobovolide
Peak:m/z	Relative Intensity
54.98459	1.1
57.03318	1.9
59.01261	6.7
61.98697	14.4
65.00184	1.9
65.01315	2.0
65.50439	1.2
66.91111	1.0
69.03318	4.4
69.37927	9.3
71.01249	1.9
71.96843	1.2
73.69279	1.3
81.03288	1.6
83.01254	1.4
83.04884	2.8
85.02817	2.4
89.01327	1.6
95.01284	8.2
95.04899	1.5
96.95882	4.7
97.02807	3.4
99.04420	1.5
106.03970	1.4
107.04901	1.8
108.02023	1.7
108.04414	1.5
109.02818	5.2
109.06477	3.4
111.00760	2.1
111.04391	2.8
112.01517	1.6
115.50946	1.3
116.92741	7.6
121.02781	6.1
123.00762	24.4
123.04362	2.0
125.02329	4.8
125.05977	1.8
126.90389	4.2
134.86424	1.7
135.04416	1.8
135.08052	2.0
137.02341	3.8
138.03143	8.1
138.36563	1.4
139.00264	2.4
139.03918	1.3
143.02336	1.3
143.03502	2.0
144.05544	1.6
151.03929	2.0
153.05489	6.9
153.09123	4.9
153.12744	6.7
154.08647	1.7
156.05530	2.1
157.05083	2.6
160.84114	21.2
162.83821	68.6
164.01120	2.0
166.99757	17.4
169.12245	17.6
170.07268	2.0
171.06694	5.9
178.99773	1.8
179.03455	3.3
179.07095	1.5
179.10693	2.6
182.02126	34.3
182.05760	1.8
183.02521	1.7
197.04517	15.5
197.06161	2.3
197.08301	7.2
197.11755	100.0
197.80710	33.8
197.90213	3.4
198.07722	5.4
198.12230	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	197.1176
Annotation	Unknow
Peak:m/z	Relative Intensity
58.51959	1.7
59.01247	9.6
60.49458	1.8
60.54316	1.9
61.91522	1.8
61.98697	30.3
65.00201	3.5
69.03320	4.9
69.63013	11.6
71.01242	2.5
73.02795	1.8
78.95785	4.7
81.03312	4.1
82.02847	2.9
83.01251	2.1
83.04865	2.7
85.02831	6.6
95.01251	6.8
95.04928	2.7
96.95897	5.3
97.02815	2.7
97.06467	3.9
98.20423	2.4
99.92461	3.8
108.02071	2.1
109.02830	6.8
109.06479	3.4
111.00779	2.2
111.04404	4.4
112.03928	2.7
116.92735	21.1
121.02834	7.7
123.00764	35.6
123.04394	3.9
125.02332	8.4
125.05970	2.5
126.90385	9.5
134.86343	1.9
135.08035	3.0
137.02333	5.9
138.03107	11.7
138.43407	1.9
151.00214	2.2
151.03867	3.9
153.01826	2.8
153.05441	12.3
153.09129	4.8
153.12759	17.2
154.08650	4.0
155.03482	1.7
155.91862	2.7
158.30762	1.9
160.84131	22.1
162.83820	57.2
166.99770	23.2
169.12260	14.2
178.99823	3.1
179.03421	3.9
179.10861	2.3
182.00615	3.0
182.02141	47.0
182.05714	1.9
183.02573	2.2
196.89401	6.3
196.91002	2.2
197.00748	2.5
197.04509	20.2
197.06064	2.3
197.08199	12.1
197.11761	100.0
197.80722	29.4
197.90211	9.5
198.07698	2.5
198.12082	6.6
215.91235	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	197.0601
Annotation	3,4-Dihydroxyfluorene
Peak:m/z	Relative Intensity
58.33355	1.8
59.01233	3.7
60.62602	1.7
61.98709	9.1
71.04034	2.0
71.04372	3.3
95.01241	2.8
96.95839	2.0
116.92731	8.4
122.65533	2.1
123.00772	10.4
125.02298	2.2
126.90397	3.9
135.42389	2.0
138.03148	3.5
153.05522	3.0
153.11617	1.9
153.12741	9.5
160.84135	9.4
162.83806	26.6
166.99768	6.6
169.06499	3.8
182.02086	15.4
197.04507	5.0
197.06009	100.0
197.08008	4.8
197.11790	11.7
197.80688	16.0
197.90244	2.9
198.06325	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	197.1175
Annotation	(-)-Hydroxydihydrobovolide
Peak:m/z	Relative Intensity
57.03279	1.0
57.72990	0.7
59.01237	3.2
61.98696	12.1
65.00179	1.4
69.03336	2.1
71.01246	1.3
71.49217	0.9
78.95782	1.0
79.71648	0.9
81.03322	1.3
82.02872	1.0
83.01257	1.1
83.04873	2.0
84.04464	0.7
85.02827	3.7
91.14635	0.7
95.01247	3.5
95.04888	1.5
96.95889	3.3
97.06460	1.2
99.00768	0.8
99.08039	0.9
107.04903	0.8
109.02812	2.7
109.06469	1.9
111.00765	1.5
111.04413	1.2
112.03927	0.8
114.77449	0.8
116.92729	9.5
117.92704	1.4
121.02811	3.0
123.00759	13.2
124.01028	0.8
125.02337	2.5
125.09622	0.9
126.90402	3.8
129.50035	0.7
134.86411	1.1
135.04482	1.0
135.08015	0.9
137.02364	1.1
138.03134	4.0
141.09100	1.4
151.11136	1.0
153.01801	1.3
153.05472	3.4
153.09117	2.3
153.12766	10.1
154.08569	1.7
155.03424	0.8
160.84125	13.7
162.83820	36.2
164.01010	1.5
166.99747	8.8
169.12245	17.3
170.12576	1.2
178.99678	1.4
179.03377	1.5
179.10690	2.1
182.02116	20.2
182.03720	1.0
183.02367	1.2
190.59660	0.7
196.89496	1.5
197.00803	0.8
197.04546	7.3
197.08055	3.9
197.11752	100.0
197.80716	19.4
197.90173	3.2
198.07637	1.6
198.12129	8.5
215.91209	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	195.1383
Annotation	Crocusatin G
Peak:m/z	Relative Intensity
55.86615	0.2
57.03313	0.3
59.01254	0.4
61.98695	1.1
66.03342	0.5
70.26614	0.7
70.58768	0.2
81.52287	0.2
83.01222	0.3
94.04121	0.2
102.21729	0.2
103.71158	0.2
103.91902	0.3
108.02066	0.2
109.02806	0.3
109.06466	4.4
110.06754	0.2
111.08035	3.8
112.08357	0.2
114.05487	0.6
119.04914	0.2
121.02800	0.5
122.03661	1.0
123.00761	0.4
123.04398	0.8
123.08057	0.2
125.02331	0.3
125.09644	1.1
127.43471	0.2
135.04414	0.3
135.11682	0.7
136.05190	0.4
137.02316	0.5
138.06747	0.4
139.07539	0.4
149.05827	0.2
150.03116	0.9
151.03912	0.5
151.07520	0.6
151.11166	0.5
152.01060	0.2
152.07048	0.2
152.10728	0.2
152.91676	0.2
157.79097	0.2
158.84550	0.2
160.84120	12.3
164.08244	0.2
165.01825	0.7
165.05457	0.5
167.03391	0.2
167.14325	6.5
168.14644	0.5
177.05537	0.3
177.72609	0.2
179.09109	0.4
179.10684	5.5
180.04214	1.4
180.11143	0.5
183.13779	0.3
195.02881	0.5
195.06697	1.5
195.13828	100.0
195.81039	5.1
196.09697	0.7
196.14171	10.0
211.28543	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1383
Annotation	Crocusatin G
Peak:m/z	Relative Intensity
51.85106	0.7
55.95736	0.6
57.03312	1.3
59.01249	6.1
60.43211	0.8
61.98694	5.6
66.03346	2.5
67.01732	0.8
67.52833	0.6
69.03330	1.6
71.01246	1.6
81.03314	0.9
83.04880	0.7
89.00222	0.7
93.03336	1.4
94.02868	1.0
95.01266	1.1
95.04899	1.2
97.02847	0.8
98.20563	1.7
101.02289	0.8
103.91903	1.2
107.04911	1.5
108.02055	1.5
109.02822	1.3
109.06483	1.1
110.02369	0.9
111.00793	0.9
111.04405	0.6
114.05479	2.0
121.02839	3.0
123.00793	1.9
123.04394	4.0
123.08040	1.6
124.03913	0.6
125.02325	1.8
135.04408	2.0
136.04243	0.7
136.05185	2.8
137.02338	2.6
142.03925	0.7
149.09526	0.8
150.03127	6.7
151.00259	0.8
151.03880	2.9
151.07507	3.2
151.11203	1.0
152.07036	1.5
152.10670	1.2
152.91673	1.0
152.94386	0.7
158.84567	0.7
160.84117	52.2
165.01810	4.1
165.05496	3.2
167.03447	0.9
169.30005	0.6
176.98207	0.7
177.05501	1.5
177.12851	3.1
180.04208	7.0
194.92824	0.8
195.02905	3.2
195.06543	9.2
195.10121	2.3
195.13826	100.0
195.48820	0.7
195.81027	22.2
196.06308	2.1
196.09660	4.4
196.14189	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	195.1384
Annotation	Dihydrocarveyl acetate
Peak:m/z	Relative Intensity
57.03326	0.7
59.01247	5.1
59.25964	0.3
61.98704	2.0
65.01316	0.5
66.03354	1.1
68.80109	0.3
69.03328	0.3
71.01243	0.9
71.50120	0.3
72.43632	0.3
75.36905	0.3
81.03347	0.5
83.04886	0.9
84.22372	0.3
95.04922	0.5
96.95914	0.3
97.02826	0.4
97.06441	0.3
108.02039	0.6
109.02850	0.6
109.06463	0.7
110.02372	0.3
110.05988	0.3
111.00819	0.3
114.05450	0.4
121.02826	0.6
122.03597	0.6
123.00771	0.7
123.04404	1.6
124.01593	0.7
124.03889	0.4
125.02391	0.5
126.06641	0.3
133.06494	0.3
135.04370	0.4
136.01569	0.3
136.05199	1.3
137.02327	1.0
138.04846	0.3
139.04024	0.3
142.04012	0.4
149.06017	0.4
150.03114	2.7
151.03896	1.1
151.07536	1.0
151.11151	0.3
152.04521	0.4
152.10742	0.7
152.91629	0.5
153.92169	0.4
158.84441	0.5
160.84120	17.2
162.03052	0.3
162.87724	0.3
165.01883	1.2
165.05466	1.5
167.03423	0.5
167.07138	0.4
169.05157	0.5
177.05453	0.5
177.12779	4.3
178.13153	0.4
180.04239	3.1
194.90559	0.3
195.02928	1.0
195.04504	1.2
195.06570	3.5
195.13831	100.0
195.81035	7.2
196.06273	0.6
196.09627	1.6
196.14174	9.7
196.20621	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1019
Annotation	LOLIOLIDE
Peak:m/z	Relative Intensity
51.06593	0.5
51.66546	0.5
55.53507	0.5
58.36946	0.5
59.01235	2.1
60.99158	1.2
61.98693	0.9
64.23773	0.7
65.01318	1.3
66.03344	1.6
67.01765	0.8
69.03310	0.9
70.06836	1.3
70.07230	1.8
71.01237	0.8
73.02826	0.7
75.00751	0.7
81.03313	1.0
83.01257	0.7
83.04885	1.4
85.02802	0.9
93.03343	2.0
95.04907	2.0
97.02825	0.6
105.27351	0.5
106.04058	0.7
106.48004	0.5
107.04892	0.8
108.04445	0.6
109.02829	1.7
109.03975	0.6
109.06480	1.6
111.00750	0.7
111.04430	1.0
120.48094	0.6
121.02826	2.3
122.03560	1.3
123.00768	1.2
123.04393	2.0
123.08032	2.6
125.02374	1.2
125.05975	0.7
130.15256	0.6
131.08560	1.7
133.10103	4.8
135.00816	0.8
135.04401	1.0
136.05182	2.1
137.02357	2.1
137.06053	0.7
142.03966	0.8
147.04449	0.6
149.09621	5.3
150.03114	6.5
151.03842	2.3
151.07576	2.8
151.11180	8.8
152.07121	0.9
152.10654	1.1
160.84117	12.6
165.01857	3.3
165.05472	2.9
167.03490	0.8
167.10693	8.8
168.11073	0.6
169.05099	1.3
177.09116	6.0
180.04192	6.5
194.99274	0.7
195.02899	2.5
195.06569	8.8
195.10193	100.0
195.81065	5.0
196.06148	2.3
196.10709	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	194.0815
Annotation	N-Acetyldopamine
Peak:m/z	Relative Intensity
58.02847	100.0
59.01246	3.5
65.03864	1.8
66.03370	1.8
69.03326	2.9
69.81001	1.3
71.01256	4.6
71.11018	3.1
72.99178	5.9
74.02346	2.1
75.02289	4.0
78.66648	1.5
81.03335	3.1
84.04424	3.8
84.66113	1.6
93.03331	5.0
95.04932	3.3
96.00802	2.3
97.57301	1.5
102.02699	1.8
102.56683	1.7
107.04908	40.0
108.02061	5.5
108.04430	4.6
109.02840	4.9
111.04408	1.7
114.05465	2.0
119.33936	1.7
121.02850	7.8
122.03590	5.8
123.04439	15.5
125.02379	2.6
133.06491	7.2
134.03651	6.1
134.06013	6.8
135.04416	89.1
136.01530	1.9
136.04813	5.5
137.02313	7.1
137.03313	2.0
149.02341	2.5
150.03128	11.7
150.05513	4.0
150.09117	1.6
151.03908	5.0
152.07076	75.7
153.07425	5.1
165.01868	2.7
165.05460	7.9
167.03441	2.2
176.07089	4.4
177.05470	11.0
178.09125	1.7
179.03111	3.7
180.04187	5.5
194.04355	8.0
194.08153	50.2
195.02934	3.1
195.06573	10.0
195.08508	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	195.0656
Annotation	beta-Hydroxypropiovanillone
Peak:m/z	Relative Intensity
55.93481	0.3
64.16262	0.3
69.83642	1.9
71.01246	0.3
88.07431	0.3
93.03326	3.4
95.01241	0.3
95.92380	0.3
98.20496	0.4
105.03355	0.4
108.02053	0.5
108.45366	0.3
109.02837	0.4
121.02835	5.6
122.03625	15.8
123.04504	0.5
124.01569	0.5
125.02380	0.3
133.02850	1.0
134.03610	0.5
135.04475	0.5
136.01575	1.6
137.02376	0.6
149.02351	21.6
150.03130	100.0
151.03458	5.6
162.03061	0.4
164.04718	3.8
165.05484	70.3
166.05817	5.3
180.04193	6.7
181.04445	0.4
195.02858	0.4
195.06584	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	192.0222
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	0.6
55.36821	0.4
57.03325	4.7
58.03665	3.6
59.01250	3.1
67.01747	1.8
68.02104	2.7
69.46028	3.9
71.01244	1.8
73.02808	1.1
84.90305	0.5
85.02820	17.8
86.03149	21.1
87.00745	35.1
87.03217	1.3
88.01081	27.6
89.01154	4.1
96.41367	0.5
96.95888	0.7
98.37193	0.5
99.00723	0.6
101.02325	2.8
111.00758	35.5
112.01094	100.0
113.01180	9.4
113.02178	0.7
129.01822	1.6
130.02156	6.5
130.99792	0.5
131.02200	0.8
132.00105	0.7
134.03653	1.3
135.59717	0.5
149.02307	0.8
156.00050	1.1
161.04510	0.8
174.01192	2.3
175.06071	0.6
178.02640	1.5
192.02245	14.3
192.05804	4.1
193.02457	3.1
193.04959	0.8
193.07079	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	191.0342
Annotation	Pisonin F
Peak:m/z	Relative Intensity
57.03322	1.6
57.03561	0.3
59.01246	1.7
59.39708	0.2
59.71336	0.2
67.01751	0.7
70.25097	1.1
71.01244	1.0
73.02823	0.4
81.03326	0.4
83.04893	0.2
83.91269	0.2
85.02818	14.2
86.03143	0.5
87.00745	10.3
93.03335	3.2
98.20471	0.4
109.02826	0.8
111.00758	17.4
111.04392	1.1
112.01090	0.5
119.04934	1.5
121.02835	100.0
122.03168	5.2
127.03904	2.3
129.01825	0.8
147.04404	6.3
148.04921	0.3
153.97491	0.2
163.03912	0.8
171.02896	0.5
173.00928	0.2
173.04466	0.9
176.01041	1.1
191.01891	1.1
191.03482	7.5
191.05533	36.7
192.03873	0.5
192.05907	1.8
212.66399	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0191
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01758	1.8
57.03321	12.7
58.00491	0.5
59.01250	7.5
65.01312	0.8
65.99731	0.6
67.01757	0.9
69.03320	0.6
71.01255	4.5
71.36919	0.8
72.99170	1.6
73.02821	1.0
75.00742	0.5
81.03343	0.7
83.01262	2.1
83.04914	1.0
84.02029	3.7
85.02825	100.0
86.03139	2.7
87.00763	10.2
91.01803	0.6
93.03337	6.2
99.00749	0.7
99.04375	0.8
101.02357	0.7
103.00269	0.7
104.02529	0.9
105.04414	0.6
108.02020	0.7
109.02826	1.5
111.00770	12.4
111.04394	1.5
112.01105	0.8
119.04919	1.4
120.01192	0.6
121.02832	2.1
121.03947	0.6
122.02386	0.6
122.03494	1.5
125.02374	0.5
127.03912	4.4
129.01839	1.5
131.03429	0.9
134.03514	0.7
135.04404	0.8
147.02930	1.6
147.04384	2.3
147.08109	0.6
148.01582	1.2
148.03934	0.6
148.05055	0.8
148.07542	0.8
149.04607	0.6
161.02437	0.6
163.00311	0.9
163.03932	0.8
171.02843	1.1
173.04437	1.4
175.03784	0.6
176.01082	5.7
176.10614	0.6
177.01776	0.5
191.01915	7.8
191.03635	4.0
191.05539	82.5
191.06897	3.6
191.10681	2.1
192.03059	0.7
192.05850	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	191.0191
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41522	0.6
57.03325	8.7
59.01261	6.2
63.10908	0.6
67.01772	1.8
69.03327	1.3
70.97408	1.1
70.97740	0.8
71.01254	5.0
71.14195	0.6
72.99189	1.0
73.02824	1.9
75.00744	0.6
77.36558	0.6
81.03323	1.0
83.01253	1.8
84.02006	1.1
85.02824	66.7
86.03164	2.4
87.00753	42.5
88.01088	1.1
93.03339	6.6
99.00764	0.8
99.04388	1.5
101.02309	1.2
109.02829	1.7
109.35883	0.6
111.00769	78.1
111.04412	2.2
112.01140	3.6
112.45424	0.6
112.98695	3.0
119.04913	1.2
121.02839	1.1
123.36480	0.6
127.03939	3.7
129.01848	5.9
130.99713	1.0
131.03389	0.9
136.46960	0.6
147.02904	0.6
147.04405	2.1
163.03889	0.6
169.85677	0.6
171.02844	1.1
173.00870	2.0
173.04468	1.7
173.64799	0.6
176.01099	6.2
191.01990	10.8
191.03635	4.4
191.05542	100.0
191.06880	4.4
191.10649	1.6
192.05818	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	191.019
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01744	2.7
55.01979	0.7
57.03323	15.6
57.80243	0.8
59.01244	9.4
67.01760	1.6
67.28184	0.8
69.62041	5.0
71.01254	10.8
71.48509	0.7
72.99171	2.9
73.02811	1.8
75.00733	2.2
79.24460	0.7
81.03321	1.3
83.01253	3.4
83.04863	1.1
83.82699	0.8
84.02047	3.1
85.02820	100.0
86.03157	3.4
87.00752	19.5
93.03345	3.4
98.20532	0.9
99.00773	2.4
99.40652	0.7
101.02311	1.0
103.00238	2.1
105.11890	0.8
105.13123	0.8
105.88130	0.7
111.00756	25.8
111.04407	2.0
112.01111	1.3
112.98690	11.5
115.00230	1.4
127.03900	2.7
129.01802	3.0
131.03362	1.8
131.54887	0.9
135.11162	0.7
147.02914	1.6
147.04424	1.1
163.03893	1.7
171.02834	0.8
173.04466	1.9
176.01129	3.8
191.01926	8.7
191.03548	2.6
191.05533	52.1
192.05968	1.9
212.96364	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.0661
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66466	2.8
55.00711	2.3
55.01756	10.9
59.01238	3.8
61.49213	2.6
65.01305	3.4
65.99725	10.3
68.99670	4.8
69.20640	20.2
71.01249	3.1
73.15534	3.0
78.78304	2.3
83.01267	3.6
91.02853	3.9
92.04987	3.3
94.64023	2.5
106.03986	2.9
107.04900	2.5
109.04008	2.9
115.05412	4.3
116.04957	2.3
117.03355	4.9
119.02338	2.4
119.04926	3.3
120.04450	4.6
121.02853	8.2
131.04912	29.5
133.02855	11.4
133.03757	2.5
133.06479	100.0
134.06847	4.9
135.04408	13.1
143.04921	6.3
144.04424	5.3
145.02843	3.4
146.05972	7.0
147.06628	3.6
148.05104	4.1
149.03516	2.9
158.03616	3.1
159.04398	17.7
161.02293	17.6
161.05977	62.0
162.02998	4.6
162.05463	11.5
162.06613	3.5
189.01808	15.0
189.03934	5.6
189.05333	32.6
189.06853	3.0
190.02388	2.9
190.04961	4.3
205.95818	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	191.0189
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	3.3
57.03051	1.2
57.03321	16.9
59.01253	15.0
60.16885	0.6
67.01757	2.1
68.99683	1.2
69.03307	1.0
70.15043	0.6
70.34499	2.6
71.01250	17.2
72.99177	4.4
73.02812	2.7
75.00733	1.1
80.08536	0.6
81.03332	1.2
83.01259	5.2
83.04929	0.8
84.02034	2.5
85.02820	100.0
86.03162	3.3
87.00745	36.6
88.01111	1.2
89.02320	1.8
93.03316	5.5
99.00754	3.6
101.02288	3.5
103.00285	1.2
105.14603	0.8
109.02841	1.2
111.00758	48.8
111.04387	1.7
112.01097	1.6
112.98688	23.0
115.00261	2.1
116.58259	0.7
127.03897	2.4
129.01802	4.6
147.02913	1.8
147.04343	0.9
149.02458	0.7
173.00900	0.9
173.04500	1.1
176.01039	2.0
191.01941	10.3
191.05530	57.5
192.05850	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	188.0558
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	5.1
57.03314	7.5
59.01250	14.4
65.01321	6.1
69.70171	17.1
71.01257	100.0
73.02819	26.1
75.40354	2.5
83.01258	12.3
85.02826	53.8
87.00747	3.3
89.02322	3.6
91.02869	3.6
95.01252	8.5
99.00759	13.1
101.02335	30.8
113.02335	31.6
118.04021	2.7
126.09918	6.0
133.06519	4.0
144.04442	4.4
145.02850	5.0
145.05109	3.4
146.03635	2.9
161.02333	14.3
161.04529	12.4
161.05780	3.4
162.06630	3.3
188.03310	4.7
188.07162	4.2
188.09920	2.7
189.01840	24.3
189.05449	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	188.071
Annotation	1,3-Dimethyl-6,8-isoquinolinediol
Peak:m/z	Relative Intensity
56.99200	0.2
57.83033	0.2
58.02851	0.5
59.01256	0.7
65.01319	0.7
65.99712	0.7
66.00858	0.3
68.99679	0.9
69.67472	0.4
69.67870	0.9
70.00456	0.3
87.00732	0.3
90.11345	0.3
91.02899	0.5
96.00790	44.2
96.87335	0.3
97.01585	15.0
98.01900	0.4
106.04010	0.4
110.02351	0.7
117.03308	0.5
117.07022	0.4
118.04002	0.4
119.02390	0.4
120.05536	0.3
122.03519	0.5
126.09946	1.0
129.00595	0.4
130.04112	1.1
134.03479	0.5
141.86777	0.3
143.04924	0.5
144.04456	0.5
145.02798	0.2
145.06500	12.6
146.03505	0.3
146.05980	0.8
146.06902	1.0
146.09010	0.3
147.04411	0.4
160.05028	0.5
161.02339	1.0
161.04559	0.4
162.02962	0.4
162.06680	0.4
170.06021	0.9
188.07103	100.0
189.01836	2.9
189.03564	0.3
189.05559	0.8
189.07458	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	187.097
Annotation	Nonanedioic acid
Peak:m/z	Relative Intensity
57.03323	3.9
65.01325	0.9
65.99756	0.4
69.03318	0.7
69.15411	2.3
71.01276	0.3
71.04892	0.4
72.23647	0.2
73.00010	0.2
77.55688	0.2
80.02528	0.3
83.04902	0.8
91.02901	0.4
95.04913	0.7
97.06468	12.8
98.06835	0.6
105.26031	0.2
118.03962	0.3
123.08057	6.0
124.08415	0.5
125.09615	100.0
126.09951	6.5
133.03951	0.5
143.10689	1.8
144.04494	0.5
144.05551	0.3
145.05139	0.3
146.03540	0.4
160.05064	0.9
161.04610	0.3
169.08632	2.1
170.08963	0.3
187.06270	1.1
187.09685	37.3
188.10031	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	188.0345
Annotation	Kynurenic acid
Peak:m/z	Relative Intensity
51.02633	0.1
55.91379	0.1
59.01245	0.2
59.37818	0.1
61.85855	0.1
65.99709	0.2
69.67374	0.3
69.67785	0.4
71.01250	0.4
83.44819	0.1
85.46424	0.1
88.96499	0.1
97.05341	0.1
98.19901	0.2
102.03368	0.7
116.04932	0.3
117.03325	0.2
126.10011	0.2
144.04445	100.0
145.02921	0.2
145.04790	7.3
146.02364	0.2
159.03163	0.4
161.02312	0.8
188.03444	3.1
189.01888	1.1
189.03810	0.3
189.05505	0.3
189.07602	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	185.1176
Annotation	Epomediol
Peak:m/z	Relative Intensity
50.66718	0.5
57.03329	0.6
58.00478	0.6
59.01249	31.4
65.01316	1.9
65.99706	0.7
68.99670	0.7
69.03321	1.1
69.56647	3.2
71.01247	3.9
71.04893	4.9
83.04903	0.6
85.02822	0.6
85.06449	0.7
87.04429	0.7
91.02909	0.9
91.65031	0.5
95.04862	0.5
97.02789	0.7
97.06468	0.8
98.20523	1.0
109.06475	0.5
111.08035	1.5
111.35479	0.5
115.03893	79.3
115.61612	0.5
116.04209	3.7
120.04330	0.5
120.05579	0.7
121.05097	2.2
123.08036	1.2
125.09653	0.8
125.28646	0.5
130.69769	0.5
132.05560	1.1
139.11185	1.6
141.09126	3.1
141.12749	2.2
142.04103	0.5
143.03470	0.5
144.05527	1.3
145.05104	0.4
157.05144	0.6
158.03494	1.2
159.03120	0.6
159.06665	1.3
167.10683	11.9
168.11064	0.8
183.10159	2.2
185.04506	1.5
185.08420	2.7
185.11754	100.0
186.07791	1.1
186.12115	8.9
189.29076	0.6
195.67148	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	185.1175
Annotation	10-hydroxy-2E-decenoic acid
Peak:m/z	Relative Intensity
57.03321	0.8
59.01246	2.5
61.98686	1.1
65.01316	1.0
67.68374	0.4
68.62625	0.4
69.27988	2.2
69.28426	1.7
71.01237	0.9
71.04861	0.5
83.04903	0.6
85.02791	0.5
85.06445	0.5
95.04921	0.6
97.02861	0.6
97.06476	1.4
99.04433	0.5
99.92487	0.5
100.03916	0.6
108.61245	0.4
111.00722	0.6
113.05947	0.5
121.05105	1.7
123.04361	0.8
123.08038	1.7
125.02370	0.5
135.71967	0.4
139.11157	1.2
141.05482	1.1
141.09129	5.8
141.12756	4.1
144.06557	0.7
159.06750	0.4
167.03397	0.9
167.10670	1.8
181.71225	0.5
185.00868	0.6
185.04449	1.5
185.06078	1.1
185.08424	2.3
185.11749	100.0
186.01775	0.8
186.07681	1.0
186.12178	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	183.1381
Annotation	11-Undecanolactone
Peak:m/z	Relative Intensity
53.32320	0.5
57.03318	1.6
59.01248	3.1
61.82363	0.5
61.98696	2.4
65.01325	0.9
66.32250	0.6
67.01749	0.9
69.03320	1.7
70.02856	0.7
71.01246	1.0
71.42973	1.2
72.21996	0.5
73.02805	1.0
81.03336	1.6
83.01240	0.8
83.04897	2.2
84.04407	0.7
85.02785	1.1
93.03318	1.0
94.02869	1.6
95.01265	1.4
95.04916	1.2
96.04395	0.8
97.02827	2.3
97.06455	1.2
98.02393	0.7
99.04413	1.2
101.02328	0.7
103.06134	0.6
108.04459	0.6
109.02833	1.1
109.06484	0.6
111.00771	1.5
111.04396	2.3
111.08050	1.3
112.00298	0.7
112.03934	2.3
121.06484	2.6
122.02358	1.2
123.00764	0.7
123.04372	1.4
124.01556	2.5
124.03942	2.4
124.98692	1.2
125.02309	0.6
125.05966	0.7
136.03926	0.6
137.02237	1.1
137.05922	0.9
137.09587	0.6
139.00288	1.2
139.03932	1.7
139.07545	2.2
139.11163	1.9
140.07068	3.1
141.01843	1.0
142.03960	0.6
142.04984	0.6
143.04767	1.2
152.98177	1.6
156.05556	2.4
157.05038	3.6
165.01851	0.7
165.05484	1.1
168.00549	4.5
180.71562	0.5
182.81065	0.6
182.92918	0.5
183.00476	0.6
183.02968	4.4
183.06618	6.1
183.10376	5.1
183.13823	100.0
184.03622	0.6
184.06068	4.2
184.09668	0.5
184.14163	10.3
186.10692	0.5
195.10255	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.1383
Annotation	11-Undecanolactone
Peak:m/z	Relative Intensity
53.47188	0.5
57.03312	1.2
58.02851	0.5
59.01255	2.5
61.98708	3.0
65.01307	1.8
67.01752	0.8
69.03307	1.7
69.66154	2.5
70.02837	0.9
71.01257	0.8
72.99157	0.7
76.30153	0.5
81.03310	1.1
83.01262	0.9
83.04883	1.5
84.04420	1.0
85.02808	0.8
89.01316	0.8
91.02897	0.9
91.04589	0.5
92.99677	0.5
94.02844	1.1
95.01264	1.0
95.04883	1.2
97.02829	1.8
97.06466	1.0
98.02325	1.0
98.95440	0.8
99.00769	0.7
99.92477	0.8
101.02307	1.4
109.02823	0.7
109.06510	0.7
111.00764	2.2
111.04404	1.7
111.08009	0.7
112.03915	2.2
112.07525	0.5
113.05974	0.8
115.02880	1.2
121.06493	1.7
122.02325	1.1
123.04402	1.4
124.01566	2.8
124.03906	3.1
124.98722	1.1
125.02316	0.8
125.06046	0.5
130.04024	0.8
134.04063	0.6
139.00258	0.9
139.03908	2.2
139.07518	1.5
139.11179	1.9
140.07054	2.3
141.01880	0.7
143.04802	1.1
144.02748	0.6
152.98163	1.9
155.03519	0.6
156.05539	2.9
157.05101	3.9
165.01866	0.8
165.05453	0.6
166.04922	0.5
168.00569	3.2
183.02991	4.1
183.06601	7.2
183.10396	4.8
183.13826	100.0
184.06119	3.3
184.09648	0.9
184.14194	8.7
203.60609	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.1381
Annotation	11-Undecanolactone
Peak:m/z	Relative Intensity
57.03310	0.6
58.35089	0.2
59.01236	0.8
65.01314	0.6
68.49575	0.2
69.03329	0.3
71.01241	0.5
71.49298	0.4
83.01250	0.3
83.04877	0.5
89.01300	0.3
94.02824	0.3
98.02354	0.2
109.02806	0.3
111.00745	0.6
111.04412	0.3
111.08076	0.3
112.03902	0.6
115.02889	0.4
121.06472	0.5
123.00813	0.3
123.04460	0.3
124.03939	0.4
139.00256	0.4
139.07539	0.4
139.11171	0.3
140.07082	0.5
142.04008	0.6
143.04823	0.7
152.98212	0.5
156.01930	0.4
156.05585	1.0
157.05084	1.3
165.01839	0.4
168.00554	0.8
183.02959	0.9
183.06613	2.0
183.13832	100.0
184.06169	0.6
184.14171	9.6
204.55991	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.1383
Annotation	11-Undecanolactone
Peak:m/z	Relative Intensity
53.24354	0.4
57.03316	1.1
58.02818	0.4
59.01245	1.6
65.00179	0.7
65.01319	1.6
67.01747	0.7
68.99675	0.5
69.03316	0.8
71.01257	1.0
71.50286	0.6
79.05389	0.5
83.01264	0.7
83.04927	0.7
84.04423	0.5
85.02824	0.8
89.01331	0.9
89.84434	0.3
90.00878	0.6
92.99689	0.5
94.02863	0.7
95.01266	0.9
95.04903	1.2
97.02840	1.1
98.02364	0.5
98.20235	0.4
99.04407	0.5
108.04423	0.5
109.02840	1.0
109.06480	0.4
111.00777	1.2
111.04407	1.1
111.08010	0.7
112.03923	1.1
112.62072	0.3
113.02363	0.4
115.02906	0.9
116.02443	0.6
121.02826	0.4
121.06477	1.9
122.02371	0.6
123.00760	0.8
123.04414	0.8
123.08009	0.5
124.01591	1.9
124.03941	1.0
124.05247	0.4
124.98660	0.6
129.03197	0.4
130.03999	1.1
131.03566	0.4
137.02393	0.6
139.00262	1.1
139.03894	0.6
139.07571	1.2
139.11195	0.8
140.01056	0.5
140.07069	1.1
141.01814	0.6
141.07773	0.4
142.04002	1.5
143.04793	1.2
144.04332	0.7
152.98227	1.6
156.05563	3.4
157.05089	4.7
165.01860	1.0
165.05513	0.7
168.00542	3.1
175.03789	0.5
177.53467	0.4
183.02939	3.2
183.06624	6.1
183.10425	3.9
183.13831	100.0
184.06226	2.5
184.14177	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	183.1381
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01239	1.4
65.01317	1.3
69.03329	0.6
83.01288	0.5
83.04899	0.5
85.02825	0.6
89.01332	0.6
90.00822	0.5
91.41505	0.4
94.02890	0.5
95.01246	0.8
97.02857	0.7
98.20559	1.4
109.02869	0.4
111.00759	0.9
111.04372	0.6
111.08009	0.6
115.02933	0.7
121.06480	0.6
123.00790	1.0
124.01539	1.1
124.03951	1.0
124.98667	0.6
129.04492	0.5
130.04051	0.8
139.00238	0.5
139.07542	1.1
139.11226	1.8
140.01083	0.5
140.04428	0.4
140.07115	0.7
141.01939	0.6
142.04004	0.9
143.04831	1.2
152.98233	1.0
153.00607	0.6
156.05565	1.7
157.04034	0.5
157.05086	3.1
165.01837	0.6
168.00563	1.8
183.00470	2.4
183.02995	2.1
183.06647	3.5
183.10388	5.0
183.13832	100.0
184.06136	1.6
184.10660	0.7
184.14165	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	181.0167
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01228	0.7
63.33636	0.4
65.27461	0.4
69.73026	2.6
71.01224	0.8
79.95592	0.7
83.04898	0.9
96.95886	100.0
97.95824	0.7
100.25233	0.4
101.02317	0.6
151.00224	0.4
166.02631	0.6
181.01678	32.8
182.01994	1.6
192.62866	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	182.0815
Annotation	chaetoglocin D
Peak:m/z	Relative Intensity
57.03316	1.0
58.02843	16.4
59.01255	2.6
60.48116	1.0
65.01310	1.1
69.03309	1.4
70.02838	4.3
71.52094	1.2
72.00770	4.5
72.18346	1.2
74.17078	1.1
81.03302	1.9
83.04897	2.7
85.02839	2.1
86.02354	1.3
87.97470	0.9
93.03370	1.5
95.01251	1.8
95.04885	1.9
96.04415	1.4
108.40997	1.0
109.02857	1.1
109.38823	0.9
110.03212	1.0
111.04379	2.7
112.05016	2.3
113.29639	1.2
121.06492	2.3
123.00787	1.9
123.04406	3.9
124.01527	2.8
138.09160	2.9
139.07516	2.8
139.49002	1.0
140.07068	100.0
141.07431	6.5
143.90059	1.1
152.00555	1.5
152.98187	3.0
155.03464	1.9
165.05452	1.1
167.02919	3.1
168.00551	3.7
182.04633	3.4
182.08144	24.4
183.02914	3.7
183.06557	5.6
183.08110	1.6
183.10124	2.3
183.13748	2.5
193.11775	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0167
Annotation	Unknow
Peak:m/z	Relative Intensity
53.61675	0.3
58.78481	0.3
59.01252	2.1
69.03333	0.4
69.68690	1.7
71.01244	2.2
71.89891	0.3
73.02817	0.4
79.95614	1.2
81.03323	0.6
83.01246	0.4
83.04902	1.1
85.02803	0.5
87.00755	0.5
89.02328	1.5
93.03307	0.3
95.01330	0.3
96.95887	100.0
97.95829	0.4
101.02329	1.8
106.42149	0.3
109.02797	0.9
115.80482	0.3
118.06393	0.3
121.02917	0.3
122.03642	0.3
123.00748	0.8
123.42881	0.3
124.01571	0.3
135.04413	0.9
137.02348	0.4
137.05980	0.9
138.73155	0.3
151.00255	2.6
153.05513	0.3
163.03868	0.5
163.06032	0.5
166.02617	3.0
167.02937	0.3
181.01678	51.8
181.07050	1.0
182.01982	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	181.0168
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13700	0.1
57.03302	0.2
59.01243	0.8
66.03348	0.2
69.03352	0.2
70.80408	0.2
71.01247	1.2
71.53916	0.1
72.83476	0.1
73.02808	0.4
73.24385	0.1
76.75723	0.1
79.95592	0.7
81.03323	0.3
83.01242	0.2
83.04887	0.5
85.02780	0.3
87.00729	0.2
89.02308	0.5
93.03329	0.3
96.95885	100.0
97.02798	0.2
97.95802	0.5
98.20485	0.1
100.95860	0.2
101.02326	0.7
101.05984	0.1
109.02828	0.5
112.05071	0.1
119.04880	0.1
122.03618	0.1
123.00754	0.6
123.04424	0.1
127.05646	0.1
135.04352	0.2
137.02364	0.3
137.05962	0.3
138.03069	0.2
139.03888	0.2
151.00262	1.8
152.00552	0.1
153.05481	0.2
162.74358	0.1
163.03827	0.1
163.06065	0.3
166.02632	2.4
172.91220	0.1
176.12813	0.1
181.01678	42.7
181.07024	0.7
182.02029	2.0
182.05327	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	179.0552
Annotation	87-79-6
Peak:m/z	Relative Intensity
55.01748	3.3
57.03318	2.9
58.00458	1.6
59.01249	31.9
61.73055	0.5
68.99699	1.9
69.03333	5.8
69.47123	2.7
69.47562	2.2
70.89117	0.7
71.01252	40.3
72.01585	1.1
72.99170	3.5
73.02445	1.1
73.02817	11.5
75.00741	5.7
79.01781	1.3
81.03326	1.2
83.01257	7.5
84.02035	0.7
85.02820	22.6
87.00746	100.0
88.01103	3.2
89.02315	8.5
95.01252	2.5
96.95914	0.9
97.02828	9.2
99.00752	26.9
100.01060	0.7
101.02320	9.2
105.01826	0.7
107.01281	1.4
109.49383	0.6
110.60021	0.6
111.00762	1.4
113.02317	4.4
117.01826	13.8
121.02837	0.9
123.00772	1.2
125.02337	11.0
129.01837	2.2
135.04405	0.7
141.01834	7.6
143.03334	1.2
147.02910	0.8
159.02882	3.4
161.04459	33.3
162.04855	1.7
164.01044	1.3
177.03978	1.5
178.94324	0.6
179.05528	38.0
180.05890	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	176.9855
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94895	0.1
55.11441	0.1
57.87244	0.1
59.01244	0.1
69.03326	2.4
70.71283	0.1
70.71613	0.2
79.95612	1.1
92.33785	0.1
95.95133	0.2
96.95888	100.0
97.02823	1.9
97.95827	0.6
97.96370	0.1
124.36055	0.1
141.07712	0.1
158.05090	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	176.9854
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05280	0.1
55.59364	0.1
59.01237	0.3
69.03326	0.4
70.51125	0.3
70.51476	0.1
77.30075	0.1
78.11467	0.1
79.95634	0.2
87.00770	0.1
96.95885	100.0
97.02828	0.8
97.95831	0.6
97.96368	0.1
99.00780	0.1
105.58549	0.1
112.46214	0.1
162.03101	0.2
176.98547	4.6
177.98882	0.1
191.94131	0.1
197.45708	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	176.9854
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03326	0.6
70.67496	0.1
70.67818	0.1
79.95604	0.4
80.29459	0.1
86.48571	0.1
95.95109	0.1
96.95885	100.0
97.02812	0.9
97.95808	0.6
97.96300	0.1
115.54639	0.1
176.98543	5.5
177.98833	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	176.9855
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07818	0.2
59.01218	0.2
69.03328	0.5
69.70630	0.3
69.71053	0.8
79.95605	0.4
96.95889	100.0
97.02821	0.8
97.95832	0.7
98.19853	0.2
119.00484	0.2
176.98546	5.6
177.98860	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	176.9854
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25874	0.1
60.70218	0.1
60.88872	0.1
69.03351	0.5
70.84415	0.3
79.95598	0.3
96.95883	100.0
97.02803	0.7
97.95817	0.5
129.48662	0.1
156.96634	0.1
173.83630	0.1
176.98538	6.6
177.98837	0.4
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
57.03327	1.0
58.00451	1.7
59.01250	29.4
65.42496	1.0
67.01734	1.7
67.14848	1.0
70.38293	1.2
70.63216	3.5
71.00858	1.9
71.01254	38.3
72.99171	4.1
73.02822	3.9
83.01260	1.7
85.02818	3.4
87.00749	97.2
88.01076	1.8
100.58832	1.0
112.98672	4.1
115.00254	100.0
116.00593	3.4
118.22290	1.1
175.02394	11.3
175.06006	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.024
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	0.6
58.00459	0.8
59.00961	1.0
59.01247	17.2
70.45848	1.3
71.01250	30.9
72.01587	0.7
72.99170	3.2
73.02824	2.5
75.95447	0.4
83.01241	1.1
85.02816	2.3
87.00746	43.7
88.01083	1.3
99.81841	0.5
101.02313	0.5
112.98689	1.2
113.02338	1.3
115.00251	100.0
116.00584	3.1
127.00276	0.8
129.01790	0.5
141.34668	0.4
175.02397	27.5
176.02708	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.024
Annotation	L-xylo-hex-3-ulono-1,4-lactone
Peak:m/z	Relative Intensity
51.75667	0.4
51.82783	0.4
53.75706	0.5
57.03312	1.2
58.00470	0.7
59.01249	22.1
63.21383	0.4
65.01313	0.8
65.99699	0.6
67.01743	1.2
71.01250	33.3
71.36790	0.7
72.01588	0.9
72.99171	3.9
73.02827	2.5
79.95596	0.6
83.01266	1.6
85.02818	2.5
87.00748	74.5
87.77601	0.5
88.01074	1.7
91.02917	0.5
99.00739	0.7
101.02325	0.9
106.03976	0.5
112.98692	2.2
113.02329	0.7
114.47592	0.4
115.00253	100.0
116.00571	3.3
127.00213	0.6
134.03540	0.5
148.05067	0.9
175.02403	24.8
175.03732	1.0
175.06075	1.7
175.11192	0.5
176.02739	1.2
192.13554	0.4
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	L-xylo-hex-3-ulono-1,4-lactone
Peak:m/z	Relative Intensity
58.00469	1.1
59.00957	1.5
59.01247	26.3
60.22166	0.7
67.01768	1.3
70.99142	1.6
71.01254	35.6
72.01585	1.5
72.99185	2.6
73.02819	4.0
83.01261	1.3
83.99147	0.8
85.02821	2.4
85.11520	0.9
87.00748	89.8
88.01076	2.0
91.95053	0.8
99.00793	0.9
112.98720	1.6
115.00255	100.0
116.00620	3.7
127.00249	1.2
133.05069	1.0
134.03493	1.6
148.05106	1.2
173.20119	0.7
175.02400	23.2
175.06058	1.7
176.02736	1.8
182.68512	0.8
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	L-xylo-hex-3-ulono-1,4-lactone
Peak:m/z	Relative Intensity
50.31177	0.4
53.30372	0.4
55.01743	0.6
57.03308	1.2
58.00463	1.0
59.01248	27.4
67.01746	0.8
70.13577	0.7
70.13996	1.4
71.01251	36.7
71.45056	0.5
72.01569	0.7
72.99181	4.2
73.02810	3.2
75.00751	0.5
83.01243	1.4
84.25259	0.4
85.02821	2.4
85.47920	0.5
87.00747	100.0
88.01087	2.4
96.99181	0.8
98.20411	0.8
101.02332	0.8
112.98699	2.4
113.02329	1.0
115.00253	92.6
116.00597	3.2
120.76729	0.4
127.00266	0.9
139.50804	0.4
172.67377	0.5
175.02399	25.6
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	175.0241
Annotation	L-xylo-hex-3-ulono-1,4-lactone
Peak:m/z	Relative Intensity
57.03320	1.4
58.00463	1.3
59.01250	27.8
65.01323	1.4
65.99722	0.5
67.01759	1.0
69.15203	4.5
71.01256	39.3
72.01583	0.8
72.99191	4.8
73.02812	3.1
83.01265	1.6
85.02831	2.9
85.58897	0.4
85.68046	0.4
87.00751	94.2
88.01080	2.1
91.02903	0.6
92.02424	0.4
93.03336	0.7
95.01249	0.5
96.99210	0.5
99.00773	1.0
101.02323	0.7
103.00233	0.6
106.04003	0.7
112.98685	3.2
113.02338	1.4
113.05983	0.4
115.00259	100.0
116.00594	3.5
132.05582	0.5
133.04018	0.5
133.05118	0.4
134.03503	1.5
139.31432	0.4
148.05098	1.8
149.03490	0.5
174.89024	0.5
175.02405	23.2
175.06084	2.0
176.02640	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.0083
Annotation	cis-Aconitate
Peak:m/z	Relative Intensity
53.51287	1.0
55.01761	0.9
57.03317	9.1
59.01247	1.0
66.91875	0.9
67.01415	1.2
67.01758	13.7
69.03348	0.9
70.80214	2.5
71.01258	4.9
73.02816	4.6
83.01267	1.4
83.04890	2.0
85.02824	10.5
93.03330	18.2
99.00768	2.0
99.04427	1.2
111.00761	100.0
111.04388	3.7
112.01068	4.7
124.98669	1.2
129.01790	1.9
137.02325	3.1
142.99686	1.7
155.03514	1.2
173.04404	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	173.1175
Annotation	2-hydroxynonanoic acid
Peak:m/z	Relative Intensity
57.03319	0.7
57.35865	0.2
59.01243	0.7
60.99167	0.9
65.01323	0.3
65.99725	0.3
67.01756	5.6
69.03324	1.1
69.40840	0.4
69.41245	1.3
71.01249	1.6
71.04900	0.3
72.99198	0.3
73.02448	0.3
73.02819	2.9
77.32845	0.2
81.03325	0.6
83.04903	1.6
85.02823	0.5
93.03333	23.9
94.03662	1.6
99.00748	1.5
99.04386	1.0
111.00759	0.3
111.04404	3.3
111.08019	0.8
119.02363	0.4
120.34318	0.2
125.09592	0.4
127.07574	0.5
127.11170	10.8
128.11539	0.7
129.01804	0.4
129.05476	0.3
130.04018	0.2
131.03505	0.3
137.02350	1.5
143.03487	0.3
146.03493	0.6
155.03381	0.5
155.10684	2.5
160.38443	0.2
171.10121	1.2
173.04530	3.1
173.11742	100.0
174.12080	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	173.0083
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32336	0.4
54.24220	0.5
55.01740	1.8
57.03062	0.7
57.03323	10.4
58.00442	0.6
58.03653	0.5
59.01250	2.4
60.99168	1.9
65.03834	1.1
67.01759	26.7
68.02084	1.2
68.99702	0.7
69.03324	3.2
71.01253	9.6
71.04887	0.7
72.99188	1.1
73.02819	13.0
74.03159	0.6
81.03329	2.7
83.01242	1.1
83.04903	7.4
85.02823	12.7
85.03595	0.5
87.00767	0.7
93.03336	72.4
94.03666	3.6
97.11535	0.5
99.00749	6.1
99.04391	3.8
101.02364	0.6
109.02830	0.8
111.00764	100.0
111.04396	14.7
111.08041	3.7
112.01088	4.6
112.98717	0.6
115.00265	0.5
124.98703	1.6
129.01802	2.7
129.05421	0.6
137.02344	6.0
142.99748	2.8
143.03386	0.9
145.02919	0.5
154.99785	0.8
155.03406	2.6
161.68349	0.4
173.00848	0.9
173.02284	0.7
173.04480	7.0
173.08136	1.9
174.04852	0.5
189.96344	0.5
194.86099	0.4
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
51.31396	0.5
55.01748	0.7
57.03324	5.0
59.01244	3.1
60.99173	3.5
65.03829	1.0
67.01759	23.5
68.02095	0.8
69.03322	3.2
70.90675	0.6
70.91000	1.2
71.01250	11.2
72.99181	1.7
73.02816	17.3
81.03323	2.1
83.01260	1.5
83.04905	8.1
84.28401	0.5
85.02818	15.2
87.00743	0.7
88.43031	0.5
93.03333	100.0
94.03682	5.2
97.02854	0.9
99.00751	7.4
99.04398	5.1
101.02290	0.7
109.02851	1.1
109.41045	0.6
111.00761	77.9
111.04397	18.6
111.08047	3.4
112.01095	3.4
112.04726	0.7
115.00302	0.6
115.03878	0.6
124.98724	0.9
129.01843	3.9
137.02333	7.7
142.99777	2.8
143.03418	2.1
154.99895	0.7
155.02264	0.8
155.03398	4.3
173.00867	1.3
173.02304	1.2
173.04456	11.9
173.05835	1.0
173.08099	1.4
174.05493	0.8
174.07588	0.7
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
55.73657	0.3
57.03318	1.1
58.00464	0.3
58.02850	1.9
59.01262	1.7
60.99181	1.5
65.01318	0.8
65.03822	0.5
67.01762	11.9
68.99699	0.3
69.03333	2.6
70.88136	0.7
71.01247	3.6
71.69507	0.3
72.99158	0.7
73.02824	5.3
75.73393	0.3
81.03345	1.9
81.08091	0.3
82.06489	0.7
83.01272	0.4
83.04906	3.0
85.02821	1.1
86.94834	0.3
87.35367	0.3
89.01273	0.3
89.57194	0.3
93.03336	49.0
99.00761	2.3
99.04406	1.4
101.02301	0.4
104.30354	0.3
109.02835	0.4
111.04404	6.2
111.08037	1.3
124.98699	0.3
128.10690	2.4
129.01831	0.6
130.08633	100.0
131.03502	0.4
131.08168	0.4
131.08992	4.9
137.02345	2.5
143.03445	0.4
145.02873	0.6
145.05145	0.3
146.03525	0.8
155.03403	1.2
172.06241	0.7
172.09685	8.0
173.02304	0.7
173.04536	4.7
173.05963	0.4
173.08170	0.5
173.10060	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	172.0971
Annotation	N-Acetyl-L-isoleucine
Peak:m/z	Relative Intensity
52.43135	0.4
55.01738	0.5
57.03319	2.2
58.00470	0.7
58.02843	1.7
58.59684	0.3
59.00986	0.3
59.01250	2.2
60.99174	3.6
63.15985	0.3
65.01316	0.6
65.03831	1.1
65.99700	0.6
67.01759	18.8
69.03318	4.3
71.01249	7.1
71.04897	0.6
71.29935	0.4
71.30249	0.5
72.29691	0.4
72.99176	1.6
73.02821	11.0
74.02360	0.5
78.95513	0.3
81.02921	0.4
81.03321	2.6
83.01233	0.6
83.04896	5.5
85.02821	2.4
93.03333	100.0
99.00762	4.8
99.04385	4.1
101.02296	0.6
106.04012	0.6
109.02822	1.2
109.06472	0.4
110.02396	0.5
111.00775	0.9
111.04400	15.9
111.08031	3.0
111.82085	0.4
115.00220	0.5
115.03899	0.4
118.03971	0.6
119.02442	0.6
128.10699	3.9
129.01813	1.6
129.09096	0.4
130.04013	0.8
130.08630	71.9
131.03510	0.4
131.08984	3.3
137.02333	5.0
143.03438	0.9
144.04398	0.5
145.02846	0.9
145.05066	1.0
146.03482	1.4
154.01335	0.4
155.03404	2.6
172.03813	0.6
172.06223	0.9
172.09673	11.7
173.02301	1.1
173.04491	10.4
173.05823	0.4
173.08086	1.6
173.10034	1.0
173.11552	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.1018
Annotation	9-Oxononanoic acid
Peak:m/z	Relative Intensity
51.27760	0.5
65.01299	1.9
69.80647	2.5
81.03338	0.6
83.04879	0.5
89.01332	1.4
93.76893	0.4
105.04477	0.9
106.03995	0.6
109.02874	0.7
115.91979	0.7
123.08071	0.6
125.09583	2.0
127.07508	0.9
127.11182	6.4
128.11539	0.8
130.03981	1.4
144.05594	1.7
153.09093	1.9
171.01863	1.0
171.06738	1.8
171.10172	100.0
172.06245	0.8
172.10512	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	171.1018
Annotation	9-Oxononanoic acid
Peak:m/z	Relative Intensity
52.30523	0.3
57.03289	0.5
59.01244	0.5
61.98693	0.4
65.00179	1.2
70.84515	0.8
70.84871	0.5
83.04894	0.6
95.36293	0.3
99.00777	0.5
99.08051	0.5
99.92430	1.0
109.02862	0.8
125.02367	0.7
125.09608	3.4
127.02739	0.6
127.03922	0.7
127.07541	1.4
127.11188	7.3
130.08603	0.5
144.04457	0.5
147.09686	0.5
153.09125	1.7
171.01836	2.6
171.10173	100.0
171.13774	11.1
172.10530	7.6
172.14143	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.0654
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51578	0.5
59.01252	6.6
65.01318	4.1
65.99699	0.8
66.00833	0.8
68.99693	1.1
69.03323	1.4
69.33884	2.4
69.34308	2.4
71.01247	1.7
72.17324	0.6
78.95775	1.0
81.03331	1.1
83.04902	0.8
85.02818	1.0
89.01325	2.2
90.00836	0.6
95.04961	0.7
98.19944	1.4
98.20591	0.9
99.04401	0.8
99.08015	0.9
105.04472	1.2
106.04003	1.5
107.04904	0.9
109.02837	3.8
109.06470	11.0
110.06825	0.6
111.00764	1.1
114.70425	0.6
115.33945	0.6
116.02382	0.7
117.01855	0.5
117.04563	0.7
118.04055	0.6
125.02339	0.8
125.09612	0.9
126.01902	0.7
127.03887	1.6
127.07538	100.0
128.07874	6.1
130.04037	1.9
130.08606	4.4
143.03539	0.7
144.01924	2.1
144.04401	3.1
144.05563	3.5
145.03993	1.2
145.05095	1.8
171.01764	4.2
171.02997	1.8
171.04356	1.4
171.06653	9.8
171.10170	12.9
171.13841	3.8
172.02475	0.7
172.03853	1.3
172.05009	0.9
172.06207	1.6
172.10657	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	170.0814
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	1.3
57.03058	1.7
57.03323	30.9
58.02843	5.5
58.03653	1.2
59.01247	59.6
64.01795	1.4
65.00206	1.5
65.01318	19.6
65.29906	1.1
66.03356	1.8
67.69830	1.3
68.99687	2.3
69.03312	1.9
69.35139	4.2
69.35561	6.2
71.01252	3.8
71.04886	3.3
73.25228	1.2
78.95768	3.3
80.04928	1.2
81.03317	1.2
81.04462	2.7
83.02370	1.4
83.04882	2.7
84.04387	1.5
85.02831	2.5
89.01318	10.0
90.00851	1.5
92.39088	1.2
95.01305	1.4
97.02775	1.2
98.02355	1.8
99.04388	2.0
99.08015	1.1
102.00845	2.3
105.04453	7.2
106.04000	2.0
106.06485	2.0
108.08070	16.4
109.02817	5.9
109.06509	2.5
110.02325	1.7
110.05976	2.8
111.00725	1.6
111.04367	2.3
112.00305	8.5
115.02847	1.3
116.02440	5.9
117.04477	1.2
118.04118	1.5
124.07586	11.7
125.02363	1.9
125.09605	4.8
126.02644	7.2
126.05460	2.2
126.09134	13.0
127.00264	1.5
127.02931	1.5
127.03918	3.7
127.07529	8.4
127.09489	1.3
127.11166	7.5
128.03485	1.5
128.07050	2.0
129.04488	2.2
130.03999	6.6
140.03439	2.5
142.04047	1.8
143.02394	3.1
143.03506	9.7
144.01915	3.9
144.05553	14.6
152.07062	7.3
153.09084	3.1
155.02220	1.3
155.08394	1.3
170.01726	2.1
170.04578	6.8
170.05910	2.3
170.08160	29.2
171.01791	7.6
171.03009	3.6
171.04269	2.1
171.06677	38.9
171.10167	100.0
171.13858	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	169.0134
Annotation	Gallic acid
Peak:m/z	Relative Intensity
53.69136	0.7
54.83315	0.9
69.03333	5.7
70.74551	2.3
72.71304	1.0
81.03339	1.1
82.43671	0.8
95.01257	1.7
96.40974	0.9
97.02824	4.7
107.01309	1.0
124.01618	1.7
125.02328	100.0
126.02665	6.3
132.86667	3.5
134.86436	13.3
169.01312	26.1
169.83308	1.7
170.01674	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	169.1226
Annotation	Unknow
Peak:m/z	Relative Intensity
55.77814	0.8
57.03313	2.0
57.80238	0.8
59.01245	3.0
62.34269	0.7
64.01791	1.0
65.00178	1.0
65.01306	1.5
66.03381	2.0
67.01775	1.4
69.03320	9.3
70.87705	0.9
71.01260	1.3
71.05398	1.3
74.94022	0.8
79.01803	1.0
79.92124	0.7
79.95629	1.4
81.03335	3.6
81.04460	0.9
83.01270	1.9
83.04897	1.8
85.02843	1.1
85.03963	0.8
95.01286	1.6
95.33643	0.7
97.02830	8.8
97.06477	2.4
98.02371	1.0
99.00757	1.2
99.04423	1.8
100.03942	0.9
101.93481	0.8
102.00875	1.5
105.96911	0.9
107.01262	1.5
107.04890	1.9
108.02126	0.7
108.65945	0.7
109.02840	1.7
110.02350	4.2
111.04381	0.9
115.02940	1.9
116.02475	1.2
122.89296	1.9
123.04419	2.3
124.01570	2.0
125.02342	100.0
125.05962	3.4
125.09610	3.0
125.99460	1.3
126.01903	1.1
126.02663	5.6
129.03249	1.8
136.72876	0.9
137.18752	0.8
139.00281	1.0
139.03856	1.5
142.04021	7.6
143.02487	1.2
143.03532	2.6
151.00310	1.2
151.03935	2.1
152.07112	0.9
153.99065	1.0
167.15576	0.9
169.01349	33.6
169.03760	1.3
169.05080	8.8
169.08606	3.2
169.12267	88.4
170.01668	1.1
170.04599	1.2
170.05899	1.0
170.08206	3.8
170.12646	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	169.1225
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80783	0.8
57.03323	0.9
59.01240	3.4
64.01771	1.0
64.02815	0.8
65.00188	1.5
65.01290	0.7
66.03352	1.3
67.01748	1.5
69.03323	5.8
70.88438	1.8
71.01250	1.0
79.01768	1.3
81.03332	2.0
83.04886	1.5
89.01326	0.8
95.01252	1.2
97.02821	6.9
97.06439	0.8
98.02357	0.9
98.06001	0.8
99.00751	0.8
107.01252	0.9
107.04901	2.7
108.24081	0.7
110.02370	2.4
113.02294	0.9
115.02930	1.6
116.02399	1.2
122.89308	1.4
123.00770	1.2
123.04393	1.1
124.01527	1.4
125.02335	89.4
125.05971	3.1
125.09616	2.7
126.02704	5.4
127.03974	0.8
127.04913	0.9
129.03210	1.3
130.02771	1.1
134.64223	0.8
139.00226	0.8
141.01889	1.1
142.04002	4.9
143.03499	1.4
151.00258	1.6
151.03918	1.7
151.06302	0.8
153.98965	1.1
157.79642	0.8
162.43022	0.7
169.01335	23.7
169.03754	1.8
169.05075	6.9
169.12253	100.0
170.01628	1.1
170.04625	1.1
170.08188	1.8
170.12584	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	168.1385
Annotation	Unknow
Peak:m/z	Relative Intensity
53.53862	0.3
58.02845	100.0
58.94286	0.3
59.03181	1.6
59.57575	0.3
68.99707	0.4
69.03326	1.5
70.02859	0.5
71.36901	0.6
79.01775	0.3
81.03358	0.3
81.73919	0.3
83.01250	0.4
93.47426	0.3
97.02832	1.3
107.04906	0.4
125.02335	18.7
140.30356	0.4
151.11211	0.9
153.01515	0.8
168.13840	6.7
169.01326	5.3
169.05013	0.9
169.08566	0.5
169.14264	0.6
173.89507	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.0133
Annotation	Gallic acid
Peak:m/z	Relative Intensity
51.01332	0.4
67.01765	0.9
68.99696	0.8
69.03323	6.0
71.62877	0.4
74.05866	0.4
79.01788	1.0
81.03337	1.6
83.01263	1.0
95.01273	0.9
96.99208	0.6
97.02824	3.9
98.19810	0.8
107.01287	0.9
123.00772	0.5
124.01563	1.5
125.02334	100.0
126.02672	4.5
132.86655	0.7
134.86409	2.5
151.00282	1.1
169.01334	35.1
169.83290	0.9
170.01685	2.1
178.87914	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.1276
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	10.7
59.01244	5.3
60.31784	1.1
61.98696	1.3
65.00175	2.1
65.99699	1.5
66.03342	3.6
68.48513	1.2
69.03298	1.9
70.90884	1.8
70.91213	2.1
71.01247	5.6
71.60863	1.3
72.99171	3.0
73.02785	1.7
75.00746	1.9
75.94674	1.2
77.03838	4.4
80.02538	3.5
80.04909	1.6
81.03333	7.5
82.03977	2.6
82.96369	1.1
83.04890	12.0
85.02840	1.7
89.02318	3.9
91.01778	3.5
92.95769	1.4
92.99707	4.5
93.03342	9.9
93.99223	1.3
95.04892	8.9
97.06477	14.7
101.02342	1.5
105.27787	1.4
108.02029	2.2
108.04418	1.8
108.29853	1.2
109.02822	6.0
109.06467	3.1
111.08040	16.7
112.08380	1.6
119.04918	5.1
121.02842	100.0
121.06457	3.1
122.02379	2.2
122.03214	7.1
122.05988	4.3
123.00758	1.9
123.04402	4.8
123.08059	2.6
124.03912	2.1
137.02376	13.7
137.05980	5.2
138.05424	2.6
139.03908	1.2
147.04413	5.4
149.00871	5.0
149.02097	1.3
150.03151	12.9
151.00256	3.3
151.78964	1.4
163.11195	5.3
164.89467	2.7
165.01851	19.3
165.04074	2.2
165.05449	16.3
165.07668	1.7
165.09033	3.0
165.12752	41.4
166.04977	3.9
166.13077	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	165.1276
Annotation	Unknow
Peak:m/z	Relative Intensity
55.20772	0.7
57.03323	13.5
59.01256	4.5
61.98702	1.5
65.00186	2.4
65.03828	1.1
66.03359	2.5
67.01756	1.5
69.03322	1.4
69.89859	0.7
71.01250	5.1
71.04882	3.3
71.50475	0.9
72.99181	2.9
73.02812	0.9
74.82341	0.6
75.00755	1.5
77.03839	4.3
80.02547	1.2
80.04927	1.5
81.03335	2.9
83.01295	0.9
83.04874	3.7
85.02829	1.2
87.00761	1.3
89.02324	1.8
91.01772	3.0
92.99687	5.7
93.03340	11.0
93.99222	1.1
94.02863	1.0
95.01251	1.4
95.04894	2.2
97.05040	0.8
97.06464	4.8
101.02331	1.6
101.55331	0.7
107.04886	0.9
108.02053	2.5
108.04434	1.2
109.02847	6.7
109.06479	2.0
111.08034	14.6
111.65123	0.7
112.08401	0.7
119.04922	5.1
120.05212	0.7
121.02844	100.0
121.06492	3.3
122.03213	5.8
122.05998	2.9
123.00759	2.4
123.04459	4.8
124.03933	1.7
130.51944	0.7
136.01552	1.1
136.05118	0.9
137.02348	10.4
137.05956	2.5
137.09650	1.4
138.05476	2.1
139.03891	0.9
147.04414	5.1
147.06621	0.8
148.04742	0.7
149.00822	3.8
150.03137	10.4
151.00290	2.9
151.03638	0.8
162.78770	0.7
163.11203	1.6
164.83681	0.7
164.89456	3.9
165.01843	18.8
165.04070	1.7
165.05489	20.1
165.06947	1.0
165.07674	1.4
165.09109	3.0
165.12762	44.8
166.02487	1.2
166.04919	4.8
166.13107	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	165.0548
Annotation	Apocynin
Peak:m/z	Relative Intensity
66.03362	1.1
71.01257	0.9
72.51106	0.7
72.99181	42.8
73.99543	0.9
79.75889	0.8
91.01789	1.0
91.05434	1.3
93.03332	4.0
94.02843	0.8
95.01260	1.3
97.03962	1.2
101.03860	2.0
109.02840	1.4
119.04917	41.6
120.05289	2.4
121.02850	11.1
122.03577	0.8
123.00771	0.8
123.04456	2.2
135.04457	1.3
137.02399	2.2
137.05971	1.1
141.76369	1.1
147.04422	100.0
148.04758	8.1
149.00861	0.8
150.03137	3.8
151.00351	1.2
165.01912	3.7
165.04430	2.8
165.05537	29.2
166.06029	1.6
178.17529	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0547
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	1.0
62.81765	0.2
65.00175	0.4
65.01315	1.7
65.03838	0.4
65.99714	1.1
66.00819	0.5
66.03340	0.9
67.01765	1.0
67.02881	0.6
68.01276	0.3
68.99677	0.3
71.01251	0.9
71.50566	0.2
71.50983	0.4
72.00803	0.3
72.99180	1.6
75.00740	1.0
77.03848	1.2
80.02473	0.3
81.03327	0.9
81.04447	0.6
82.02853	0.7
82.03983	2.0
83.01243	0.3
83.02381	0.6
83.04884	0.2
84.04417	0.3
85.02790	0.3
87.00745	0.8
91.01788	0.8
92.99694	0.6
93.03326	11.3
94.02840	0.5
94.03641	0.4
95.01247	0.7
95.02397	1.4
95.04890	0.7
96.00800	0.8
97.03940	2.5
98.02331	0.4
105.03349	0.5
106.04001	0.4
107.02433	0.4
107.04910	0.3
108.02052	1.2
108.04407	0.5
108.05535	0.3
109.02853	2.3
109.03949	1.0
109.06491	0.3
119.04909	2.0
120.01917	0.3
120.05449	0.3
121.02839	24.0
121.06503	0.9
122.03632	27.9
122.06002	1.2
123.00766	1.4
123.01875	0.9
123.03059	0.6
123.03893	0.9
123.04414	1.0
123.05518	0.8
124.01553	1.3
124.03970	0.6
124.05054	1.4
125.02292	0.5
125.03457	0.4
133.02827	0.8
134.03587	0.7
135.04430	0.6
136.01573	2.8
136.04980	0.4
137.02356	3.9
137.03355	0.3
137.05971	0.9
138.02989	1.1
138.05496	0.5
139.03935	0.4
139.04973	0.6
147.04422	4.6
148.04779	1.1
149.01025	0.5
149.02338	10.0
150.03120	100.0
151.00266	1.1
151.02327	0.4
151.03468	7.2
164.89449	0.3
165.01868	4.6
165.04041	1.1
165.05467	12.9
165.06834	0.6
165.09091	0.9
166.02516	0.9
166.04837	0.5
166.06171	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	164.0708
Annotation	Unknow
Peak:m/z	Relative Intensity
61.34046	0.2
70.86436	0.2
72.00777	40.7
73.01125	0.8
78.20517	0.2
81.63020	0.2
91.05410	2.0
92.05787	0.3
93.03334	0.3
103.05391	1.3
110.40946	0.2
118.06525	0.5
119.04924	1.4
120.05296	0.5
121.02824	1.3
134.28410	0.2
135.04465	0.2
146.06024	0.7
147.04424	100.0
148.04761	8.1
150.03214	0.3
164.07086	48.5
165.01817	0.5
165.05472	0.4
165.07439	4.0
171.86507	0.2
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	DL-Phenylalanine
Peak:m/z	Relative Intensity
59.01247	2.1
63.29856	0.8
65.99700	1.1
68.99677	1.2
71.01247	3.5
71.41246	1.6
72.00775	37.8
72.99173	1.6
73.02824	1.2
73.64959	0.8
77.03838	1.2
85.02826	1.4
89.02311	1.8
91.01719	1.8
92.04925	2.3
92.99695	1.5
93.03362	4.7
94.02876	1.2
95.01270	1.1
97.24670	0.8
108.02069	1.4
108.04435	1.2
109.02814	3.4
119.04906	3.7
120.04430	3.4
120.05249	10.7
120.61123	0.8
121.02845	14.8
121.06519	1.9
122.03622	3.1
123.04360	2.9
136.03912	2.0
137.02338	5.4
137.05925	1.7
147.04416	100.0
148.04779	7.5
149.00887	1.6
149.02307	1.4
150.03117	8.6
160.60535	1.0
164.03307	1.5
164.04613	1.8
164.07079	45.6
164.08157	1.7
165.01872	5.7
165.04070	1.9
165.05476	10.0
165.07458	2.8
165.09151	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	164.0343
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	5.0
65.01320	7.6
65.03819	6.0
65.99718	9.0
68.99668	5.4
71.01241	4.2
72.99181	11.9
92.05000	4.4
93.03330	100.0
94.02878	8.8
95.01234	6.2
95.02374	6.1
98.19753	8.1
100.85251	3.6
103.48650	5.1
109.02836	46.6
118.02856	18.5
118.70341	3.9
119.04884	18.5
120.04423	10.3
120.05264	14.8
121.02834	54.3
122.03533	15.3
136.03897	10.4
137.02350	78.2
137.03372	8.4
140.10603	4.4
146.02380	13.4
147.04402	44.5
149.02356	4.3
150.03096	12.9
164.03413	35.5
164.04593	9.6
164.07054	6.1
165.01836	10.3
165.04398	32.9
165.05557	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	161.081
Annotation	Oleandrose
Peak:m/z	Relative Intensity
55.01758	3.6
57.03051	1.0
57.03320	13.9
58.00463	3.5
59.01248	58.3
59.98386	0.4
60.01578	1.5
65.01311	4.1
65.99716	2.0
66.25318	0.4
67.02912	0.4
68.99697	0.6
69.03323	6.9
69.51025	3.2
70.44145	0.5
71.01250	73.2
71.04887	27.3
72.01583	1.8
72.05235	1.1
72.99174	11.7
73.02816	28.4
74.03171	0.5
75.00743	4.3
81.03326	15.8
82.03639	0.5
83.01252	22.9
84.01601	0.6
84.02020	2.2
85.02820	100.0
85.06467	0.7
86.03164	3.9
87.00749	8.8
87.04390	16.9
89.02315	18.2
90.00864	0.6
90.02669	0.6
90.03318	0.5
91.02894	1.3
92.02411	1.1
93.00839	1.4
95.01269	1.4
95.04894	0.6
97.02824	7.9
98.19823	0.9
99.00748	2.3
99.04391	73.2
100.04736	3.3
101.02319	5.5
101.05994	0.6
103.03886	1.2
106.04021	0.8
107.02402	0.7
113.02333	7.1
113.05996	1.1
115.03890	38.4
115.07532	10.0
116.04240	1.9
117.03355	1.7
117.05461	32.0
118.02884	1.4
118.04004	0.5
118.05824	1.2
119.02387	0.6
119.04861	0.6
120.01924	1.7
120.05482	0.7
121.02737	1.9
125.02351	2.8
129.01805	2.5
131.03392	40.5
132.02066	0.8
132.03709	2.2
132.36305	0.5
133.02852	5.3
133.05019	0.6
133.06453	0.6
134.03473	7.8
135.01952	0.8
135.05467	0.7
143.03392	2.7
143.07008	0.5
146.03590	0.5
147.03064	0.7
153.79047	0.5
155.75803	0.5
159.02904	2.5
159.04237	0.5
161.02467	9.1
161.04471	55.7
161.05844	2.3
161.08092	66.6
162.01732	2.6
162.02953	1.8
162.04883	2.3
162.06744	0.6
162.07071	0.7
162.08414	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	161.081
Annotation	Unknow
Peak:m/z	Relative Intensity
53.05221	0.8
53.42334	0.7
55.01743	2.3
57.03323	7.7
58.00453	2.4
59.01249	38.6
65.01307	2.4
65.99709	0.9
69.03326	4.7
71.01250	49.2
71.04891	41.0
72.01580	1.9
72.02012	0.6
72.05227	1.1
72.99173	6.0
73.02819	20.5
75.00741	2.1
81.03324	7.9
83.01253	12.6
84.02042	2.0
85.02821	60.3
86.03140	2.4
87.00759	5.8
87.04385	22.4
88.04736	1.0
89.02306	11.5
93.00811	0.7
97.02830	3.9
99.00750	2.1
99.04391	100.0
100.04695	3.2
101.02334	4.4
101.05972	1.6
103.03858	0.7
113.02300	4.3
113.05988	1.2
115.03892	57.4
115.07537	12.2
116.04223	1.8
117.05456	46.7
118.05813	2.5
120.01945	0.8
121.02707	1.0
121.99864	0.6
125.02339	1.6
129.01816	1.7
131.03394	26.4
132.03706	1.1
133.02864	1.9
133.80304	0.6
134.03497	4.2
143.03429	1.8
155.26727	0.8
159.02911	1.1
161.02489	3.7
161.04480	32.8
161.08101	92.7
162.01865	1.8
162.03046	0.9
162.04794	1.5
162.08423	5.6
177.14717	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	160.0606
Annotation	Unknow
Peak:m/z	Relative Intensity
53.45048	0.5
53.46526	0.5
53.55017	0.4
55.01748	2.2
57.03054	1.0
57.03322	16.2
58.00464	2.4
58.02846	5.6
59.01247	42.0
59.21749	0.6
68.99683	0.6
69.03318	3.6
70.70277	1.4
71.01251	36.2
71.04891	1.7
72.99178	6.3
73.02818	21.0
74.02345	1.0
75.00742	2.8
80.05820	0.4
81.03326	7.0
83.01254	13.4
84.02033	1.0
84.04417	22.6
84.59006	0.5
85.02818	52.3
85.99973	0.5
86.02346	0.7
86.05985	1.7
87.00744	7.3
87.04388	1.6
88.03912	100.0
89.02315	9.5
89.04246	1.8
95.01258	1.6
97.02818	3.6
98.02342	0.8
98.05991	8.3
99.00752	2.0
99.04395	10.1
100.01553	0.5
101.02328	18.1
112.03892	2.4
113.02327	4.3
114.05500	1.3
115.03887	0.9
117.03374	0.5
117.05479	0.9
118.04984	5.3
120.27793	0.5
125.02345	1.9
129.01851	1.2
130.04991	18.8
131.03391	18.8
131.05325	0.6
133.02858	0.8
143.03413	3.6
159.02902	0.7
159.84435	2.4
160.03929	1.4
160.06015	12.4
160.84109	22.3
161.02499	3.5
161.04457	28.7
161.05843	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	158.0602
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15226	1.6
55.01752	3.1
57.03313	2.2
59.01254	8.3
62.05784	1.4
65.01308	9.3
65.99718	4.2
66.83430	1.4
68.99683	2.6
69.03339	1.6
69.66575	2.2
69.66973	9.3
71.01249	14.7
72.99178	3.1
73.02823	16.1
75.00734	3.7
77.82057	1.5
83.01257	8.3
85.02831	10.2
87.00747	10.7
89.01338	7.5
90.00870	9.0
91.02883	3.0
97.02843	3.8
97.06481	3.5
98.20267	5.8
99.00754	22.3
101.02324	11.7
103.02331	1.9
106.03982	6.2
111.00765	9.1
112.95910	1.7
113.02295	2.5
113.06006	2.4
113.09621	2.4
114.36800	1.5
115.03918	1.8
116.02428	5.8
116.04932	8.7
116.07066	1.7
118.03974	2.7
119.04781	3.3
129.01845	8.6
130.04005	2.0
130.06523	9.5
131.03519	11.3
132.01930	2.6
132.04587	2.1
132.05583	6.6
135.04393	10.9
140.04956	100.0
141.01840	1.8
141.05342	11.9
143.12587	1.5
144.04410	10.9
148.09715	1.7
156.04442	7.5
157.05225	59.3
158.03500	11.9
158.04657	3.4
158.06033	29.5
159.02980	29.8
159.04361	4.0
159.06602	14.3
159.10156	5.5
163.03883	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	158.0601
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	2.8
57.03327	6.7
59.01256	10.2
65.01313	9.7
65.99714	3.9
66.00858	1.3
68.01239	1.2
68.99680	5.0
69.03314	2.2
71.01248	18.1
72.99180	4.4
73.02826	19.7
75.00751	3.7
83.01257	5.3
83.04868	1.2
85.02822	12.5
87.00757	12.6
89.01323	4.7
90.00838	7.6
91.02892	3.1
95.01257	1.5
97.02830	3.7
97.06454	4.4
98.20670	2.3
99.00749	18.1
101.02314	13.4
102.03339	2.3
106.03973	6.0
111.00767	18.5
112.87349	1.4
113.02334	5.5
113.05991	2.1
113.09583	3.0
115.07516	2.0
116.02417	5.2
116.04952	18.0
116.07128	1.8
117.01775	1.4
117.03379	2.8
117.05287	1.3
118.04003	3.3
119.04791	3.6
129.01816	13.3
130.03941	2.1
130.06523	6.3
131.03514	8.0
131.05057	1.9
131.05959	1.7
132.01897	3.6
132.05559	3.5
135.04401	12.7
136.19623	1.1
139.66441	1.1
140.04959	100.0
141.01845	2.2
141.05327	11.3
144.04445	14.8
146.06033	2.4
156.04472	6.0
157.05237	58.1
158.02309	2.3
158.03479	13.5
158.04541	2.6
158.06003	28.3
159.01665	1.8
159.02943	27.1
159.04369	6.3
159.05443	2.7
159.06609	9.7
159.10161	16.2
163.03897	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	156.0657
Annotation	N-ACETYLPROLINE
Peak:m/z	Relative Intensity
51.32090	0.2
51.99418	0.3
55.01748	0.6
56.02068	0.3
57.03324	0.8
58.00466	0.3
59.01257	1.5
66.50086	0.3
68.57529	0.3
68.99677	1.0
69.03308	0.6
69.62229	1.7
69.86099	0.2
71.01244	1.8
72.99184	1.0
73.02824	0.5
81.03344	0.3
82.77344	0.3
82.85931	0.3
83.01257	0.7
83.04886	1.1
84.04424	0.6
84.05239	0.3
85.02817	1.0
85.06438	0.3
87.00747	0.9
94.03704	0.5
95.04912	1.4
96.99220	0.4
97.06450	0.3
99.00748	1.8
111.00703	0.7
111.08031	0.4
112.03911	0.4
113.05975	1.3
113.09585	0.7
114.05490	100.0
115.00257	1.0
115.05099	0.4
115.05826	4.7
127.00259	5.6
139.00255	0.7
139.07553	0.6
156.00139	0.8
156.06564	5.7
156.96901	0.3
157.01323	0.9
157.05067	2.0
157.07338	0.5
157.08592	4.2
157.12254	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	156.0657
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	1.2
56.02077	1.0
57.03318	1.1
57.34701	0.3
58.00445	0.4
59.01247	0.9
66.03368	0.4
68.99677	1.3
69.03316	0.5
70.59241	0.8
70.59612	0.6
71.01266	1.8
72.99181	0.8
83.01253	0.8
83.04883	1.3
84.01585	0.5
84.04395	0.6
85.02820	1.7
86.63630	0.3
87.00749	1.3
93.03332	0.6
94.03642	0.4
95.04884	1.9
96.99185	0.4
99.00772	2.1
99.04415	0.4
111.00767	1.2
111.08035	0.7
111.58430	0.3
112.03945	0.5
113.05975	1.7
113.09618	0.6
114.05492	100.0
115.00264	1.0
115.05830	4.9
127.00251	6.5
130.04005	0.6
139.00238	0.5
139.03893	0.4
139.07515	0.4
156.00101	0.9
156.06546	5.9
157.01347	0.9
157.05023	3.2
157.07315	0.4
157.08617	4.4
157.12228	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	155.1069
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03288	0.5
59.01241	0.9
62.72265	0.8
65.49978	0.5
69.81895	2.7
83.01265	0.8
83.04886	0.7
93.03339	2.2
104.65163	0.5
111.04382	0.6
114.05515	1.8
137.09630	1.0
155.03520	1.6
155.10684	100.0
156.05609	1.1
156.11031	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	154.9977
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01758	100.0
56.02085	3.0
59.01252	2.1
65.00204	1.6
65.03795	2.4
65.17480	1.4
67.01753	8.7
68.99677	3.1
70.58833	2.7
71.01250	18.1
81.03335	2.4
83.01260	43.3
83.04900	3.2
84.01591	2.3
93.03336	24.7
95.80018	1.6
109.02814	2.4
111.00767	15.2
111.04401	7.4
111.58555	1.6
112.98701	1.7
114.05490	63.7
118.17793	1.6
127.00270	14.4
137.02333	5.4
140.01067	2.1
151.15311	1.4
153.65805	1.4
154.99760	55.9
155.03409	5.9
156.00099	2.4
156.06567	4.7
160.19418	1.5
172.80673	1.5
173.01286	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	155.0705
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33474	0.3
52.99080	0.3
55.01757	1.9
56.25913	0.3
59.01244	0.7
61.35702	0.4
65.03820	0.4
67.01777	0.4
69.21480	0.8
69.21873	3.4
70.08516	0.3
71.01258	0.7
72.99209	0.5
81.03364	0.5
83.01259	1.2
83.04889	1.1
84.04428	1.1
85.02812	0.5
91.05417	1.2
93.03329	4.3
95.01279	0.6
96.00787	0.8
101.01274	0.4
107.04917	0.9
109.06475	100.0
110.06805	6.9
111.04397	1.1
113.03446	0.7
114.05499	5.3
127.00256	0.9
137.02353	0.6
137.05980	3.6
153.05467	2.3
154.02797	0.5
154.99762	1.4
155.03590	4.2
155.07043	84.0
156.04330	0.5
156.05603	0.8
156.07430	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	154.9977
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00195	1.5
55.01758	94.5
56.02107	1.7
56.38893	1.4
56.71169	1.5
57.03313	3.8
59.01245	4.8
65.03842	2.3
67.01760	35.8
71.01257	14.5
71.51372	1.5
71.51714	2.3
78.76825	1.5
81.03339	3.7
83.01255	71.4
83.04890	8.8
84.04447	2.9
84.14115	1.3
85.02801	3.5
92.84300	1.5
93.03332	36.4
94.03679	2.3
94.06508	1.7
94.54967	1.5
95.01263	3.7
99.00759	5.1
109.02808	3.2
111.00758	74.2
111.01903	3.9
111.04378	11.2
111.08033	1.7
112.01054	2.6
112.98668	1.6
114.05492	100.0
120.29534	1.4
127.00262	23.5
137.02350	6.7
140.01108	2.8
154.99763	69.5
155.02332	2.2
155.03467	12.2
155.07050	2.1
156.00052	3.7
156.06586	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	153.1275
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00497	0.7
55.01748	0.7
56.70762	0.7
66.03345	1.9
69.03316	2.1
71.04878	0.7
71.29796	1.6
81.03326	5.2
82.02866	1.0
83.01207	1.2
83.04909	0.9
91.01768	0.9
92.04926	0.7
95.01269	0.8
95.04882	0.8
96.99207	0.9
97.02811	2.3
97.06461	16.0
99.08023	4.1
108.02051	9.1
109.02829	100.0
109.06444	2.4
109.99982	4.8
110.03145	5.5
112.05047	0.9
123.04393	2.1
124.01517	0.9
124.03931	2.3
125.02324	3.5
125.06007	1.0
125.09608	1.1
135.04427	1.6
137.09647	1.5
137.99504	3.8
138.03102	1.3
151.00215	0.8
151.11185	1.2
153.01831	25.9
153.05492	4.0
153.12744	46.6
153.86745	14.8
154.01134	1.2
154.02238	1.6
154.04967	2.4
154.13078	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	152.9944
Annotation	Unknow
Peak:m/z	Relative Intensity
66.03353	0.7
69.03311	1.1
71.01758	1.0
76.45329	0.6
78.95774	65.7
81.03311	3.3
84.22902	0.5
91.01788	1.3
96.96838	5.6
97.02811	0.6
108.02041	8.2
109.02836	100.0
109.06504	1.0
109.99969	1.7
110.03180	4.8
111.00745	0.7
111.04375	0.7
123.00782	0.7
123.04406	2.3
124.03926	0.8
125.02328	2.2
130.12694	0.7
135.04436	0.6
137.99489	1.3
142.52016	0.6
144.72675	0.6
150.97914	2.4
152.99493	49.3
153.01819	20.6
153.05460	2.6
153.12805	0.8
153.99814	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	149.0599
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02854	4.7
59.01244	10.8
61.98698	3.6
65.00192	3.6
65.01320	23.8
65.99706	18.0
66.03351	6.3
67.02886	23.1
71.01260	23.1
73.02809	11.0
74.56630	3.3
75.00737	4.2
77.03828	8.1
79.02858	4.3
81.00815	4.1
81.04440	11.5
83.02386	3.8
87.00746	9.7
89.02319	54.5
90.31628	3.5
91.02883	5.5
92.02395	6.0
93.03314	19.9
94.02849	12.3
94.99189	36.9
95.01233	4.3
95.02378	5.2
95.04899	10.8
104.97604	9.4
105.03323	7.3
105.04438	4.9
105.06982	33.1
106.03990	32.8
107.02427	5.4
107.03596	4.2
107.04900	12.4
108.01977	11.4
108.04439	10.7
108.05530	16.4
109.03950	7.2
119.04908	11.3
121.02837	92.9
121.05072	5.2
121.06507	7.1
122.02351	7.4
122.03513	12.1
123.01867	11.6
123.04374	7.3
132.05545	5.1
134.03600	12.7
148.96597	8.7
149.02368	54.8
149.03427	6.2
149.04489	22.5
149.05971	100.0
149.07191	6.4
150.00079	17.6
150.02962	16.2
150.05476	12.0
150.06441	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	151.0755
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78475	0.7
59.01241	5.0
65.00146	0.6
65.01276	2.7
65.99686	2.6
66.00806	1.7
66.03359	14.2
67.01725	1.2
67.02888	6.0
68.01254	1.9
68.99671	0.7
69.82230	0.6
70.78351	1.7
71.01251	5.9
72.04411	5.8
73.02789	1.7
78.95711	0.6
79.01731	1.3
80.02489	0.7
80.04912	1.1
80.96345	1.7
81.03321	4.3
81.04452	3.5
82.02847	3.2
82.03945	2.0
83.01247	0.8
83.02348	2.9
85.02789	0.9
85.20600	0.5
89.02289	2.6
91.02896	0.9
92.02393	0.7
93.03322	2.5
94.20073	0.6
95.01247	4.2
95.02372	1.4
95.04885	2.4
96.95843	0.6
98.01502	0.6
98.03469	0.6
99.91241	0.6
101.02325	2.9
106.03998	1.8
107.04916	8.0
108.02044	13.6
108.04470	3.2
108.05055	0.7
109.02846	9.6
109.03957	7.9
109.06467	1.8
109.99072	1.6
110.02321	2.8
110.03439	2.9
110.38306	0.7
111.00668	0.8
111.01874	1.5
121.03945	0.9
122.03604	3.2
123.00745	2.7
123.04424	12.8
123.05367	1.2
123.07982	0.7
123.43485	0.6
124.01526	1.5
124.03907	1.7
124.04917	2.0
125.03449	2.0
125.05969	10.0
133.02861	2.5
134.03484	2.4
135.04417	2.7
136.01558	100.0
136.05186	11.7
137.01903	6.8
137.05589	0.8
150.06767	1.3
151.00328	1.1
151.01442	1.0
151.02686	1.2
151.03926	35.0
151.04976	2.9
151.07545	75.8
152.00121	2.5
152.01181	1.6
152.03322	3.6
152.04463	4.4
152.07953	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	149.0446
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81862	1.6
52.34217	1.8
59.01247	100.0
64.01789	4.3
65.01308	20.1
65.99716	15.0
66.03378	1.8
67.02885	10.6
70.30929	6.9
71.01245	7.0
73.02846	2.3
74.07947	1.8
77.01331	2.0
79.02909	2.5
81.04446	9.1
82.02838	3.6
83.02376	2.9
89.02324	13.2
91.02881	2.9
92.02409	6.0
93.03337	5.4
94.02895	2.8
95.02392	5.0
95.04927	2.0
96.61889	1.8
98.20513	2.6
105.03256	2.4
106.03977	20.3
106.06515	3.1
107.02383	6.0
107.03574	2.5
107.04285	2.2
107.05988	2.5
108.01981	4.2
108.04408	4.2
108.05553	6.3
109.03950	4.0
120.01910	2.3
120.05553	3.7
121.02835	27.4
121.03751	3.1
121.05069	3.2
122.02328	7.7
122.03501	7.2
123.01930	9.1
123.04380	5.8
134.03595	2.2
149.02313	11.3
149.03471	9.0
149.04552	13.7
149.05927	6.1
150.00098	3.9
150.02965	11.9
150.05525	3.0
150.06598	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	147.0442
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00228	7.2
50.78443	3.9
55.29202	4.5
57.03318	10.9
59.01249	27.4
65.01322	47.2
65.99718	21.0
71.01244	22.0
71.31059	10.9
72.99175	8.9
75.00732	23.0
75.02279	4.9
79.02878	8.3
80.57278	4.4
85.02808	19.8
87.00729	9.8
90.00848	14.1
90.77197	4.4
91.02888	5.4
92.02424	12.8
93.40379	5.4
96.26669	4.5
105.04454	20.6
106.03989	27.6
107.02376	6.0
118.03994	9.9
119.02357	8.2
119.04881	21.0
120.01917	18.7
120.04409	7.3
120.05495	7.4
121.03958	18.6
147.01889	9.4
147.03011	33.0
147.04395	90.9
147.05576	6.9
147.06621	16.0
148.01329	8.1
148.02536	4.8
148.03867	15.4
148.05034	100.0
163.08765	4.4
168.64558	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	147.0442
Annotation	Unknow
Peak:m/z	Relative Intensity
65.01285	5.3
67.08952	2.8
68.99680	11.9
69.73539	19.1
101.03841	12.6
106.03983	6.0
119.03207	14.3
119.04916	47.6
120.04424	4.6
120.05267	4.9
142.16644	3.4
147.02850	7.8
147.04408	100.0
148.04889	15.0
148.06174	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	147.0289
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00456	3.5
55.01763	5.1
55.68145	3.7
57.03315	25.7
59.01244	38.9
61.71119	3.3
64.66729	3.7
69.28915	21.3
69.29334	11.6
71.01255	44.8
71.04890	15.1
72.99184	9.0
75.00751	21.7
76.58902	3.5
83.01231	3.8
85.02815	100.0
87.00751	78.7
88.01080	4.1
99.00718	6.4
101.02302	7.4
101.05962	10.3
103.03885	6.7
103.05801	5.5
119.04925	8.2
120.77155	4.3
129.01826	13.1
147.01865	5.0
147.02876	16.2
147.04398	14.6
147.06528	13.4
148.05014	8.2
148.06163	5.4
157.60040	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	147.0442
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	2.0
65.01331	6.8
65.99713	2.6
68.59439	1.4
68.99686	17.4
69.21497	7.8
69.21909	4.1
71.01257	2.1
75.00732	1.6
101.03850	18.9
102.04163	1.5
105.03259	1.4
105.04450	2.2
106.04008	3.2
119.03216	4.0
119.04917	53.4
120.01908	1.6
120.05329	4.6
121.02864	2.8
121.04046	1.5
129.03317	1.9
145.02780	2.3
147.04416	100.0
148.04878	14.1
153.27922	1.2
168.69397	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	147.029
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03324	22.7
59.01249	13.3
71.01255	3.0
71.50605	3.0
72.99188	3.1
75.00745	4.4
85.02827	70.5
87.00752	100.0
88.01077	3.2
90.79899	2.2
101.02328	5.0
103.03895	10.9
129.01837	15.1
130.98872	2.2
147.02899	23.8
150.23775	2.2
163.51796	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	146.0238
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39566	1.6
64.01804	2.0
68.99684	4.5
71.28406	2.7
76.01781	5.3
89.95377	1.5
90.03370	12.5
95.96765	1.7
101.03837	7.3
118.02874	100.0
119.02469	1.7
119.03210	6.7
119.04914	24.7
129.03409	1.8
144.63272	1.5
146.02376	62.1
147.02686	5.0
147.04411	46.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	146.0602
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00216	1.4
57.04841	1.2
59.01248	5.2
62.39389	1.1
64.01794	2.7
65.01313	5.4
65.99714	2.4
66.00887	1.2
70.84747	2.8
71.01242	6.5
72.99177	1.2
75.00753	4.0
76.01804	4.3
77.01329	1.8
87.00737	1.7
90.03363	17.9
91.01781	1.5
91.02914	1.8
92.02402	1.3
102.05464	1.7
105.04472	2.6
106.01564	1.4
116.02391	1.3
116.04945	3.9
118.02872	100.0
118.06528	2.1
119.02406	6.9
119.03230	6.4
119.04852	2.1
120.01888	2.4
128.04976	2.2
131.03658	67.7
132.04008	3.9
143.52635	1.2
144.04453	26.5
145.04890	2.4
146.02379	52.3
146.03494	4.2
146.06018	93.7
147.02879	7.2
147.04457	6.3
147.06427	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	145.0861
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00225	1.5
57.03318	0.9
59.01232	1.0
64.01789	2.9
65.01319	9.2
65.99716	5.5
69.22382	3.3
69.22808	4.7
71.01251	1.9
72.56840	0.8
73.02809	1.1
75.59274	0.7
76.01811	1.0
77.01311	7.1
81.03333	2.3
81.04453	2.2
83.04894	3.7
87.00750	1.2
90.00838	2.4
91.02887	3.9
91.91100	0.9
92.02385	1.5
97.06464	3.1
97.16486	0.8
98.20555	1.9
99.04388	2.4
99.08035	100.0
100.08364	5.8
101.05946	3.9
102.05518	1.5
103.01628	1.6
104.02432	1.2
105.03184	2.4
105.04431	2.5
106.01621	0.9
109.19898	0.9
116.02452	2.6
117.01976	1.1
117.03358	5.3
118.02880	4.0
118.03993	19.9
119.02397	10.4
119.04288	1.5
127.03913	1.6
127.07552	1.8
128.03456	0.8
130.02756	0.8
137.02252	1.0
144.01950	2.0
144.03001	1.4
145.01451	2.0
145.02748	3.9
145.03920	2.2
145.05037	14.0
145.08604	36.9
146.02376	13.7
146.03513	8.3
146.07144	2.8
146.08948	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	145.0133
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	7.9
57.26074	7.1
59.01245	35.0
68.25554	6.7
71.01249	100.0
71.49487	10.1
72.80839	8.3
72.99165	15.5
81.03331	11.6
83.01249	29.1
83.04885	25.5
87.00756	61.0
99.00753	19.7
99.04442	12.6
99.08006	10.4
99.11942	9.0
101.05960	31.1
115.00249	48.9
117.03315	7.9
118.02845	18.4
127.00250	22.4
136.51024	6.4
136.52251	7.5
144.96371	11.5
145.01329	31.2
145.02870	17.9
145.03909	10.9
145.04956	30.5
146.02385	64.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.0609
Annotation	Unknow
Peak:m/z	Relative Intensity
54.28348	1.7
58.02839	2.4
59.01236	3.0
63.13345	2.0
70.31873	2.3
71.01249	9.3
71.48895	2.2
72.00771	3.1
72.99162	3.7
73.71827	1.9
74.02338	14.4
76.53778	1.9
82.02863	3.5
83.01236	3.6
83.04885	3.6
84.04414	17.5
85.02815	2.2
87.00755	4.9
99.00732	2.9
101.05984	3.5
101.07073	5.8
102.05482	100.0
107.02382	2.7
107.35116	2.0
109.03960	12.5
115.00278	2.8
125.03465	4.8
127.05013	29.3
128.02519	3.6
128.03427	50.7
145.01393	2.3
145.05005	3.9
145.06087	16.5
146.02335	5.8
146.04480	13.6
149.03235	2.3
150.48268	2.2
151.01604	2.1
151.68498	2.0
156.89714	2.0
157.76430	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	144.0445
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00222	0.7
57.03308	0.8
59.01247	1.2
61.98690	0.7
64.01789	1.5
65.01312	4.6
65.99720	18.0
66.00832	0.9
66.82082	0.6
70.63536	1.6
71.01262	1.8
71.04887	0.8
73.02813	0.7
77.01318	2.5
81.03333	2.1
83.04906	2.2
85.47893	0.6
87.00756	0.8
89.01334	3.4
90.00852	1.4
91.02897	1.7
99.04405	1.7
99.08050	1.4
100.07555	0.8
101.05967	2.3
102.00861	1.1
102.03369	10.9
102.05444	0.8
103.02975	1.0
103.03673	1.1
104.02404	0.7
105.03194	1.5
116.02439	2.4
116.04945	7.5
117.00729	0.6
117.01980	1.0
117.03335	1.5
117.04500	1.7
118.02898	2.0
118.03996	14.4
129.03326	1.1
130.02739	1.7
131.92940	0.6
142.04037	1.1
143.03561	3.0
143.04732	1.0
144.02077	5.9
144.04456	100.0
144.05545	8.8
145.01590	1.2
145.02847	2.0
145.03925	2.9
145.04955	15.5
145.06177	0.7
145.08621	1.1
146.02379	4.0
151.46291	0.7
161.54697	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.0133
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	7.9
57.26074	7.1
59.01245	35.0
68.25554	6.7
71.01249	100.0
71.49487	10.1
72.80839	8.3
72.99165	15.5
81.03331	11.6
83.01249	29.1
83.04885	25.5
87.00756	61.0
99.00753	19.7
99.04442	12.6
99.08006	10.4
99.11942	9.0
101.05960	31.1
115.00249	48.9
117.03315	7.9
118.02845	18.4
127.00250	22.4
136.51024	6.4
136.52251	7.5
144.96371	11.5
145.01329	31.2
145.02870	17.9
145.03909	10.9
145.04956	30.5
146.02385	64.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	143.1068
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00171	5.3
57.03311	3.2
59.01239	7.1
61.98688	4.5
69.03320	8.4
69.35089	16.9
71.01250	28.2
72.99173	3.7
73.02808	5.7
74.11898	1.6
80.99667	2.1
81.03322	8.9
83.04920	2.8
85.02821	14.6
87.00755	7.7
87.04368	10.6
96.99187	7.7
97.02837	7.0
97.06439	2.2
99.00718	2.1
99.04362	4.6
101.02332	3.5
101.70991	1.9
112.98688	7.6
113.02300	3.6
115.00244	2.3
115.03898	2.0
116.02415	2.7
124.98690	19.5
125.02309	11.2
125.05960	2.4
134.11659	2.2
140.98207	4.1
142.99763	28.0
143.02353	3.0
143.03397	19.4
143.10675	100.0
144.04478	15.9
144.05496	3.2
144.06532	3.9
144.11011	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	144.0445
Annotation	Indole-3-carboxyaldehyde
Peak:m/z	Relative Intensity
57.03318	0.4
59.01257	0.5
60.91840	0.4
62.01401	0.4
65.99715	0.4
71.01254	0.5
71.49059	0.6
73.02833	0.6
81.03349	0.5
83.04904	1.4
85.02855	0.4
85.21224	0.4
99.04395	0.7
99.08025	0.5
100.07590	0.4
101.05968	1.5
102.03385	0.9
107.74265	0.3
115.00307	0.4
116.04945	0.6
117.03281	0.5
127.00214	0.3
134.41283	0.3
144.04448	100.0
145.01410	0.6
145.02855	0.8
145.04813	10.9
156.71420	0.3
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	24.9
55.01752	7.4
57.03324	4.8
57.03597	2.4
58.00463	2.8
59.01246	20.2
65.01304	3.6
68.99687	11.9
69.03333	13.7
70.84112	8.3
71.01254	76.6
71.04886	6.8
72.99162	8.7
73.02818	10.6
79.98923	2.8
80.99707	7.0
81.03332	13.0
83.01240	6.5
85.02824	26.0
87.00751	27.8
87.04380	15.2
89.01316	4.4
96.99187	39.2
97.02847	13.1
99.00747	3.2
99.04379	8.1
99.08025	3.9
112.98683	34.8
113.02318	4.7
115.00243	20.0
115.03902	4.5
116.02440	4.2
124.98695	87.5
125.02351	14.4
125.99054	4.2
140.98221	12.3
142.99763	100.0
143.02344	6.3
143.03439	25.1
143.07106	3.6
143.10670	17.2
144.00084	5.4
144.04474	15.0
144.06587	4.0
158.99194	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	142.9976
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67968	4.4
53.00184	28.6
57.03336	6.2
58.00451	5.4
59.01243	20.7
68.99700	9.8
69.03320	22.3
71.01252	98.3
71.04908	8.2
71.49077	6.9
72.01586	4.9
72.99186	12.0
73.02802	11.7
80.99706	4.5
81.03350	15.8
83.01267	8.9
85.02824	49.4
87.00755	35.4
87.04392	19.7
90.73862	4.6
96.99178	24.7
97.02844	13.6
99.04406	13.5
101.02292	9.0
101.76793	5.4
102.05486	10.1
111.00762	13.7
112.98700	36.9
113.02357	7.8
115.00238	10.0
115.03870	10.9
121.55158	4.8
124.98699	61.9
125.02323	18.2
138.59869	4.5
140.98203	13.5
142.99774	100.0
143.03372	33.5
144.04404	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	142.9976
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00196	29.3
55.01750	5.6
57.03308	5.0
59.01254	13.5
61.98697	7.0
64.20473	1.8
65.01300	3.8
68.82212	1.9
68.99686	5.4
69.03319	11.8
71.01251	76.4
71.04904	3.1
71.42012	5.2
72.99177	9.6
73.02822	10.0
80.99686	5.6
81.03332	12.4
83.01263	4.1
83.04893	4.4
84.71202	2.1
85.02826	26.6
85.67381	2.1
87.00739	20.7
87.04383	19.4
89.01341	6.9
96.99197	27.1
97.02827	10.6
97.06474	3.2
99.00774	4.5
99.04406	11.2
99.08034	3.5
101.02338	6.1
112.98686	36.0
113.02337	6.4
115.00296	5.5
115.03922	5.8
116.02430	8.4
124.98696	62.9
125.02342	19.5
125.99020	5.0
140.98199	11.2
142.62033	2.0
142.99762	100.0
143.02385	4.6
143.03412	27.2
143.07024	3.9
143.10681	15.3
144.00122	4.9
144.04448	26.9
144.05589	11.2
144.06517	5.1
144.11002	2.5
158.99275	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	142.9977
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00198	26.4
59.01239	11.5
68.99693	8.6
69.03329	6.3
70.46201	7.6
71.01257	67.8
71.04904	5.3
72.01589	2.6
72.99171	6.4
73.02813	4.4
80.99688	8.2
81.03345	12.5
83.01262	4.9
85.02820	14.2
87.00736	20.1
87.04396	9.3
93.63804	2.4
96.99186	36.4
97.02811	3.5
99.04409	4.9
102.05493	23.3
111.00755	3.0
112.98692	37.0
113.02294	6.3
115.00267	12.7
124.98701	96.8
125.02341	10.5
125.99072	5.8
140.98193	11.8
142.99768	100.0
143.03403	17.7
143.10762	6.0
144.04446	9.3
144.06612	2.9
156.40749	2.6
158.99231	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	140.0707
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03098	2.5
52.22818	2.6
55.01744	11.9
57.03310	9.4
57.85032	3.3
66.90270	2.7
67.01768	8.5
68.99688	7.4
69.03315	23.3
69.34843	3.2
71.01250	10.8
71.49357	3.0
71.49722	3.0
72.00781	35.6
74.02353	3.1
82.51100	2.6
83.01262	8.5
85.02824	34.7
95.01241	23.7
96.04423	5.2
96.99146	2.8
97.02834	23.8
99.00742	10.7
107.88580	2.8
111.00764	11.8
112.01026	6.1
113.02331	20.8
123.00790	14.4
123.04408	25.9
139.00264	7.0
140.01106	18.8
140.03387	3.9
140.06009	6.5
140.07071	100.0
141.01849	46.1
141.05484	7.7
141.07417	10.2
146.57945	2.7
152.49921	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	137.0235
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31749	0.6
50.48889	0.6
58.02843	0.8
65.01314	1.5
65.03824	2.6
65.99712	1.6
66.00834	2.2
66.03361	1.5
67.01754	0.8
67.02875	3.3
68.01274	2.0
71.36334	1.2
81.03323	8.3
83.01246	1.3
85.02829	1.6
91.01768	1.4
93.03331	72.9
94.02866	1.8
94.03647	4.2
95.01261	2.2
95.02374	1.5
96.00761	1.2
96.05533	1.0
97.02776	0.7
98.42805	0.7
103.74861	0.7
108.02051	71.5
109.02853	51.7
109.03674	1.0
109.03998	1.0
110.02357	1.7
110.03228	2.2
111.01904	1.1
119.01271	1.5
119.02419	0.9
120.01921	1.4
122.03622	0.9
123.00787	2.6
133.27919	0.6
136.00462	1.3
136.01540	11.0
136.89108	1.8
137.02353	100.0
137.36133	0.6
138.01770	4.1
138.02754	6.4
138.05566	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	137.0598
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00192	1.1
58.02858	0.5
58.44102	0.4
58.56574	0.4
58.88886	0.4
65.01295	1.8
65.03833	3.0
65.99706	2.0
66.00829	2.0
66.03348	2.1
67.01740	0.8
67.02873	4.0
68.01286	2.5
68.99686	0.5
78.95782	0.6
81.03333	2.3
81.04456	1.2
81.25822	0.6
82.02856	1.5
83.01248	1.0
93.03331	100.0
94.02866	2.2
94.03664	5.5
95.01273	1.3
95.02390	1.9
95.04899	0.7
96.00786	1.8
96.05589	0.9
98.42330	0.6
108.00901	0.7
108.02044	11.1
109.02843	11.5
109.03970	1.6
110.02342	1.7
110.03493	0.9
111.01889	1.6
119.02431	0.8
120.01923	1.7
122.03622	6.3
123.00774	1.5
123.03160	0.7
136.00383	1.0
136.01558	3.9
136.89066	1.1
137.02351	43.2
137.03439	3.7
137.05975	13.3
138.01865	7.0
138.02861	3.6
138.03928	0.7
138.05441	1.0
138.06448	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	136.0156
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00221	1.0
58.02822	0.8
64.01782	1.6
65.00181	0.7
65.01315	6.2
65.03828	2.5
65.99711	3.1
66.00831	1.2
66.03355	2.1
67.01749	1.5
67.02880	5.0
68.01292	1.8
68.99681	1.9
69.03321	1.4
69.41302	0.7
70.22402	0.7
71.05045	1.5
77.01311	1.1
79.02873	1.7
81.03315	2.4
81.04438	1.4
82.02862	1.8
91.01747	0.9
91.50155	0.8
92.04932	2.5
93.03330	100.0
94.02853	2.8
94.03989	1.2
95.01256	8.0
95.02371	2.7
96.00771	1.2
96.03157	2.7
97.02800	0.9
106.03988	12.3
107.03551	0.7
108.02046	53.7
109.02908	8.1
109.03938	4.5
110.02373	0.7
110.03555	1.0
118.03993	1.8
119.02406	1.3
121.02721	1.7
121.95798	0.7
136.01544	47.9
136.03851	3.0
136.04936	5.9
137.02351	53.9
137.03412	3.0
137.05965	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	133.0132
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28331	2.1
56.33013	2.3
59.01243	2.3
71.01251	75.5
71.26205	3.7
72.99184	17.6
89.02321	10.4
99.21214	2.2
101.54930	2.5
115.00253	100.0
116.00611	5.1
133.01344	22.5
136.48756	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	135.0288
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	1.0
59.01247	8.4
61.92048	0.8
65.85480	0.8
71.01244	5.3
71.38078	1.3
72.99174	17.1
73.02813	1.6
75.00743	100.0
76.01089	2.0
85.02827	4.4
87.00749	1.9
89.02327	4.8
89.76597	0.8
92.04930	1.1
93.03319	2.5
93.04440	0.8
99.92463	3.3
106.04034	1.5
107.04913	4.2
108.02052	1.9
117.01817	2.6
132.11722	0.9
134.03642	4.2
134.86429	2.4
134.89362	55.8
135.01839	0.9
135.02878	22.4
135.04413	31.4
135.89363	6.2
136.03934	1.2
136.04811	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	133.0132
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03324	2.9
59.01250	1.7
70.82774	2.8
71.01250	94.5
72.01569	2.0
72.99180	21.9
87.00763	2.4
87.04385	7.8
89.02322	7.9
107.03514	3.2
115.00252	100.0
116.00589	4.6
123.04383	1.5
133.01314	19.8
133.02838	1.3
133.04965	3.5
134.01639	1.9
134.04626	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	130.0863
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01743	2.1
57.03324	19.0
59.01241	4.1
62.47284	1.0
65.01311	2.2
67.99068	0.9
69.03326	2.7
70.97462	2.1
71.01255	14.5
72.99178	3.4
73.02818	15.2
75.00744	2.5
78.08737	1.1
79.22790	0.9
79.39183	1.0
85.02822	79.4
85.06458	5.1
86.05988	1.8
87.04386	20.8
88.03921	6.7
101.02339	1.5
103.02875	1.1
113.02315	5.1
113.05943	1.0
129.01822	2.0
130.04010	13.2
130.08627	100.0
130.59422	1.1
131.03419	33.3
131.07001	1.7
131.09012	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	130.0863
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26751	0.9
55.01740	2.5
57.03326	20.8
58.02839	1.2
59.01236	4.9
63.40386	0.9
65.33423	1.0
69.03316	4.8
69.67471	5.0
71.01249	17.3
71.04871	1.0
72.82774	1.0
72.99174	5.8
73.02817	18.1
75.00742	3.2
85.02821	100.0
85.06000	1.2
85.06450	6.6
86.05968	1.9
87.04384	21.4
88.03905	7.9
89.01336	1.4
89.17470	1.0
101.02319	1.3
113.02299	7.3
123.14906	1.0
129.01814	1.1
130.04012	7.9
130.08632	85.9
131.03421	36.6
131.04420	1.9
131.06990	1.1
131.08934	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	133.0132
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	3.6
59.01245	1.8
60.77394	0.6
71.01254	95.6
71.03482	1.7
72.01590	2.7
72.99180	23.9
77.11954	0.6
85.02793	0.8
87.00757	5.3
87.04391	8.3
89.02315	9.3
98.68463	0.7
103.18401	0.7
105.25905	0.6
106.01269	0.6
107.03508	1.5
115.00258	100.0
116.00620	4.9
120.65828	0.6
133.01324	19.0
133.04958	7.9
134.03624	1.1
134.04633	3.2
150.85771	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	130.0863
Annotation	L-Alloisoleucine
Peak:m/z	Relative Intensity
57.03313	4.9
70.71277	1.3
70.71605	2.2
71.01254	1.5
73.02824	3.7
75.00736	1.1
81.08444	1.0
82.06504	1.2
83.61671	1.0
85.02816	15.6
87.04395	3.7
88.03909	4.4
107.20573	1.1
112.43848	1.0
130.03940	1.3
130.08630	100.0
131.03427	5.7
131.08975	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	129.0183
Annotation	Unknow
Peak:m/z	Relative Intensity
55.36942	2.1
57.03336	3.5
58.02848	2.7
67.01762	3.7
70.63048	6.5
71.01249	5.5
85.02820	100.0
86.03159	2.9
88.03913	41.6
101.02331	4.2
103.02870	2.4
111.00747	2.6
129.01828	10.5
129.03801	2.7
130.04012	10.6
130.08644	27.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	127.0755
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01746	9.7
57.03321	3.9
58.02847	7.9
59.01250	20.7
61.88587	3.3
66.44718	3.6
69.03331	3.2
69.70243	19.6
71.01242	17.4
71.04889	5.2
81.03340	8.3
82.02822	6.1
83.01250	12.4
83.04876	8.7
84.04407	3.5
85.02817	26.7
85.03946	20.2
86.02303	6.8
87.55575	3.4
98.20213	10.9
99.00769	5.7
99.04387	5.1
109.02870	7.3
109.06490	8.8
112.15975	3.3
121.65453	3.2
126.90303	15.5
127.00266	45.4
127.03015	5.4
127.03876	32.3
127.06620	7.2
127.07539	100.0
128.03426	41.7
128.07011	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	121.0284
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28247	0.7
61.39700	0.6
65.01307	1.1
65.03833	1.1
69.30190	1.7
69.30608	3.7
70.30704	0.7
79.02892	2.5
82.01591	0.8
91.01765	1.0
93.03327	11.8
94.02840	4.9
95.02398	1.0
98.19819	1.5
108.02082	2.8
121.02838	100.0
121.05127	2.4
122.02342	3.4
122.03274	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	1195.6041
Annotation	Unknow
Peak:m/z	Relative Intensity
85.02817	0.1
89.02301	0.1
97.02845	0.2
99.09390	0.1
101.02348	0.2
102.20967	0.1
103.00250	1.3
103.01783	0.6
105.03392	0.1
109.02851	0.5
117.03350	0.3
121.02837	0.2
131.01282	2.5
132.02066	0.3
132.61787	0.1
133.02847	11.6
134.03177	0.2
135.04399	0.4
145.02876	0.2
147.04419	0.2
148.01633	0.2
149.02373	0.5
161.02321	0.2
163.00325	0.1
163.03862	0.8
165.01830	0.5
173.02361	2.3
175.00287	9.1
175.03886	0.5
176.00513	0.2
177.01878	0.3
181.06471	0.2
187.03896	0.2
193.01357	0.4
193.06535	0.2
195.04539	0.1
197.16650	0.1
199.03970	0.4
201.01881	0.9
208.05194	0.1
209.06050	0.7
211.04010	0.2
212.04860	0.2
213.05513	0.3
221.05882	0.1
222.03107	0.1
223.03984	0.3
224.04787	0.2
225.05452	0.5
227.06862	0.1
231.06477	0.1
235.03969	0.7
236.04787	0.4
237.05534	1.7
238.02747	0.2
239.03444	0.6
240.04288	0.3
241.05115	0.3
247.04005	0.4
248.04715	0.2
251.03432	0.2
252.04010	0.2
253.05043	1.1
255.02908	0.2
255.06573	0.3
263.03445	0.4
264.04218	0.6
265.05029	2.8
266.02243	0.4
266.05371	0.3
267.02954	3.3
268.03387	0.3
269.04541	0.2
271.06091	0.2
279.02682	0.2
280.03671	0.3
281.04562	1.4
284.03140	0.3
285.04041	1.9
291.03076	0.8
292.02997	0.2
295.06134	0.2
297.04071	2.5
298.04837	1.1
299.05600	7.8
300.05948	0.5
306.07642	0.3
307.06079	0.2
308.03378	0.3
309.04041	100.0
310.04382	6.5
310.08020	0.3
311.05536	1.7
313.03741	0.3
323.05579	0.4
324.02710	0.4
325.03485	0.5
327.05084	14.1
328.05478	1.1
330.03879	0.4
338.04117	0.1
339.05118	2.8
341.06625	0.6
351.05066	1.3
357.06140	4.3
358.06250	0.3
369.06326	0.8
377.06815	0.2
385.09451	0.2
395.07608	0.4
412.07739	0.2
413.08768	92.0
414.09113	6.0
431.09814	14.1
432.10226	0.9
473.10870	23.6
474.11295	1.9
677.49866	0.3
1008.74341	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0491
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00225	5.5
52.35405	0.6
55.64791	0.6
57.37293	0.6
57.42142	0.6
59.01246	3.5
60.58301	0.7
64.01794	2.4
65.01319	15.1
65.99721	11.7
68.01298	5.2
71.01245	1.6
72.99178	1.0
73.02818	1.5
77.01331	5.1
78.03364	1.0
79.02871	1.9
79.95618	1.0
90.00862	0.8
91.02888	7.9
91.05391	1.3
92.01296	9.2
92.02429	4.2
92.03236	1.1
93.00814	5.9
93.03319	4.6
98.19779	2.1
101.03870	1.1
101.92276	2.8
104.02416	1.4
105.03237	1.1
112.48182	0.6
117.03377	1.0
118.03995	2.7
118.92481	4.4
118.93301	1.5
119.02408	25.2
119.03461	6.6
119.04906	100.0
119.42101	0.7
120.01942	12.9
120.05573	56.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1187.3084
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01273	0.2
85.02816	0.1
89.03832	0.1
93.03361	0.1
95.01277	0.1
97.02850	0.1
101.02340	0.2
107.01292	0.4
107.04891	0.1
108.02036	0.1
109.02834	1.7
111.04404	0.1
117.03301	0.1
119.04913	0.3
121.02875	0.4
123.04446	0.3
125.02319	0.3
131.04938	0.3
132.02075	0.2
133.02835	6.7
133.06500	0.2
134.03709	0.5
135.04425	0.9
135.68002	0.1
136.01581	0.1
137.02328	0.3
139.03888	0.2
145.02850	0.2
146.03513	0.1
147.04424	0.5
149.02359	0.8
149.05975	0.5
151.03934	0.5
159.04408	0.3
161.02325	0.7
161.06015	0.3
162.03152	0.3
163.00287	0.4
163.03923	0.7
164.00999	0.1
165.01828	0.3
167.03302	0.1
173.02382	0.3
173.06035	0.2
174.03136	0.2
175.00337	0.1
175.03909	2.1
177.01851	1.5
177.05476	1.0
178.02435	0.1
179.03424	0.6
185.02336	0.2
185.06078	0.2
187.03894	0.4
189.01933	0.4
189.05508	0.4
190.02628	0.2
191.03453	0.9
193.01331	0.1
193.04926	0.1
198.03084	0.1
199.03961	0.3
201.01892	0.9
201.05589	0.2
202.02666	0.1
203.03433	1.4
204.04112	0.1
205.01340	0.7
205.05014	0.5
207.02937	0.3
209.06174	0.1
211.03983	0.3
212.04665	0.2
213.05475	0.7
214.06215	0.1
215.03452	0.3
217.01454	0.2
217.04965	0.7
219.02837	0.3
221.04475	0.2
223.14175	0.1
224.04681	0.2
225.05544	0.4
226.06206	0.2
227.03423	0.6
227.07057	0.2
228.04018	0.1
229.04999	0.3
231.02896	0.2
231.06650	0.1
233.04500	0.7
235.02399	0.3
237.05539	0.2
238.06281	0.2
239.03482	0.1
239.07045	0.6
240.04208	0.2
240.07867	0.2
241.04997	0.6
241.08598	0.2
243.03232	0.2
243.06595	0.2
245.04495	0.7
247.02534	0.2
247.64629	0.1
249.05602	0.1
251.07089	0.3
252.04152	0.1
253.05009	0.6
254.05698	0.5
255.02939	0.5
255.06535	0.4
256.03696	0.2
257.04541	0.4
257.07938	0.1
259.06168	0.1
263.05615	0.2
265.04980	0.4
266.05740	0.3
267.03226	0.2
267.06552	0.9
268.07254	0.2
269.04547	0.7
269.08075	0.3
270.05252	0.3
270.08102	0.1
271.02545	0.2
271.05875	0.2
275.05585	0.1
279.06653	0.2
280.03629	0.2
281.04541	0.4
282.05246	0.4
283.06085	1.2
284.03189	0.5
284.06778	0.4
285.04025	0.9
285.07333	0.2
287.05768	0.1
292.03912	0.1
293.04465	0.4
295.05963	0.6
296.03381	0.2
296.06656	0.1
297.04099	2.9
297.07346	0.2
298.04800	8.1
299.05545	3.7
300.05978	0.2
307.06195	0.2
309.04102	1.2
309.07727	0.2
310.04770	0.9
311.02805	0.1
311.05591	6.5
312.06348	8.0
313.07132	8.6
314.07513	0.8
321.04193	0.3
322.04749	0.2
323.05585	1.8
324.06088	0.4
325.03500	0.3
325.07162	1.5
327.05087	5.6
328.05484	0.4
330.03796	0.3
335.05627	0.2
337.03421	0.3
337.07150	0.3
338.04276	0.4
339.05045	10.0
340.05380	1.0
341.06619	5.7
342.03452	0.2
342.07043	0.3
344.05371	0.9
351.04980	1.0
352.05557	0.3
353.06641	3.4
354.06900	0.2
355.04523	0.3
356.04709	0.2
357.06177	1.8
358.06363	0.2
363.05042	0.2
365.06473	0.5
366.03564	0.2
367.04453	0.7
367.07895	0.1
368.04926	0.2
369.06116	40.6
370.06494	3.9
370.11279	0.1
371.07611	0.8
372.04660	0.2
379.04489	0.3
381.06137	4.9
382.06354	0.3
383.07761	1.2
385.05548	0.3
393.06094	0.3
395.07608	0.4
397.05530	0.3
399.07178	31.8
400.07523	2.9
407.07483	0.2
411.07184	4.3
412.07532	0.4
413.08765	0.9
415.06625	0.2
419.07449	0.2
423.07224	0.3
425.08630	0.3
427.06512	0.1
429.08221	6.0
430.08459	0.7
431.09241	0.1
435.07089	0.3
437.08731	0.3
441.08234	2.3
442.08511	0.3
443.09821	0.3
449.08707	0.3
453.08212	0.9
455.10025	0.2
459.09396	0.5
465.08557	0.1
467.09851	0.3
471.09268	2.0
472.09885	0.2
473.10941	2.3
474.11288	0.2
476.09402	0.1
483.09192	0.3
485.10776	0.4
489.10370	7.4
490.10721	0.6
501.10486	0.3
503.11984	1.6
504.12354	0.1
505.10120	0.5
506.10202	0.3
507.10022	0.2
519.11322	1.1
520.10797	0.2
533.13269	0.2
557.12769	0.1
575.14240	1.0
591.13379	0.2
592.13965	0.7
593.15063	100.0
594.15399	10.4
595.15906	0.4
755.00690	0.1
1068.80957	0.1
1075.12537	0.1
1095.63806	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	118.0652
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00230	9.1
52.63012	1.2
55.76933	1.2
59.01244	9.6
64.01797	9.5
64.59731	1.4
65.01327	15.0
65.99721	11.8
66.00840	1.8
67.02882	2.3
68.01275	4.2
71.01243	4.8
71.49814	1.9
72.99153	1.7
73.02823	5.9
74.03152	4.4
77.01324	7.4
90.00850	2.4
90.03329	1.8
91.02892	32.0
91.05389	6.3
92.01300	11.5
92.02400	2.6
93.03342	2.4
100.92476	6.6
101.03843	20.6
101.92300	1.4
104.02458	2.1
116.04951	51.8
117.03355	5.9
117.05291	4.1
117.92759	14.9
118.00378	4.6
118.02200	1.9
118.02904	8.1
118.03992	20.7
118.06512	100.0
118.80072	1.3
118.92547	2.8
119.02400	29.6
119.03416	9.3
119.04899	90.1
119.06775	8.7
131.26945	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	1173.2931
Annotation	Unknow
Peak:m/z	Relative Intensity
93.03327	0.9
98.20053	0.8
108.84548	0.5
117.03349	3.5
119.04895	1.0
121.61250	0.4
133.02798	2.9
135.04425	1.2
147.04489	0.5
149.02382	0.6
149.05988	0.8
150.53670	0.5
154.81030	0.5
161.02336	1.9
161.06073	0.5
163.03915	1.4
165.78963	0.5
175.03876	1.5
177.01854	1.2
177.05524	1.3
179.03331	0.7
189.01796	0.9
191.03433	1.7
201.01842	0.6
203.03406	0.9
205.01344	0.8
205.04893	1.1
217.05225	0.6
221.04494	0.9
222.14249	0.5
222.76038	0.5
233.04471	0.9
239.07158	0.6
253.08734	0.6
268.07019	0.6
273.15967	0.5
281.04626	0.5
282.05322	1.5
283.06049	2.8
294.05157	0.6
295.06174	2.9
296.06766	1.9
297.04187	1.4
297.07620	15.8
298.04773	2.9
298.07858	0.9
299.05579	2.0
307.06046	1.8
309.04291	0.7
309.07690	1.7
311.05591	5.1
312.06378	3.3
313.07141	3.6
323.05585	2.9
324.06360	0.9
325.07135	7.8
326.07590	0.7
327.05026	2.2
328.05801	2.3
335.05533	1.6
337.07278	2.6
339.05035	5.1
341.06705	2.6
351.05087	1.2
353.06631	49.7
354.06940	3.1
355.08157	0.8
356.05020	0.9
357.05902	0.7
365.06680	4.3
369.06128	19.4
370.06396	2.3
371.08035	0.7
381.06171	3.4
383.07709	27.5
384.08066	2.9
395.07755	4.8
397.09229	1.3
399.01996	1.1
399.07178	19.1
400.07434	2.2
411.07175	2.1
413.03970	0.7
413.08740	4.3
423.07101	0.8
425.08810	1.4
429.08215	5.6
430.16519	0.5
437.08899	0.6
441.08203	3.6
455.09796	1.5
459.09122	6.4
460.09662	0.9
471.09241	1.0
473.10812	12.3
473.17456	0.7
474.11282	1.4
485.10651	0.7
489.10443	3.2
503.11972	2.7
519.11456	0.9
561.12317	0.7
575.13812	0.5
579.13507	45.7
580.13885	4.7
593.15076	100.0
594.15466	10.8
656.56793	0.6
779.59802	0.6
872.00073	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1173.2931
Annotation	Unknow
Peak:m/z	Relative Intensity
93.03327	0.9
98.20053	0.8
108.84548	0.5
117.03349	3.5
119.04895	1.0
121.61250	0.4
133.02798	2.9
135.04425	1.2
147.04489	0.5
149.02382	0.6
149.05988	0.8
150.53670	0.5
154.81030	0.5
161.02336	1.9
161.06073	0.5
163.03915	1.4
165.78963	0.5
175.03876	1.5
177.01854	1.2
177.05524	1.3
179.03331	0.7
189.01796	0.9
191.03433	1.7
201.01842	0.6
203.03406	0.9
205.01344	0.8
205.04893	1.1
217.05225	0.6
221.04494	0.9
222.14249	0.5
222.76038	0.5
233.04471	0.9
239.07158	0.6
253.08734	0.6
268.07019	0.6
273.15967	0.5
281.04626	0.5
282.05322	1.5
283.06049	2.8
294.05157	0.6
295.06174	2.9
296.06766	1.9
297.04187	1.4
297.07620	15.8
298.04773	2.9
298.07858	0.9
299.05579	2.0
307.06046	1.8
309.04291	0.7
309.07690	1.7
311.05591	5.1
312.06378	3.3
313.07141	3.6
323.05585	2.9
324.06360	0.9
325.07135	7.8
326.07590	0.7
327.05026	2.2
328.05801	2.3
335.05533	1.6
337.07278	2.6
339.05035	5.1
341.06705	2.6
351.05087	1.2
353.06631	49.7
354.06940	3.1
355.08157	0.8
356.05020	0.9
357.05902	0.7
365.06680	4.3
369.06128	19.4
370.06396	2.3
371.08035	0.7
381.06171	3.4
383.07709	27.5
384.08066	2.9
395.07755	4.8
397.09229	1.3
399.01996	1.1
399.07178	19.1
400.07434	2.2
411.07175	2.1
413.03970	0.7
413.08740	4.3
423.07101	0.8
425.08810	1.4
429.08215	5.6
430.16519	0.5
437.08899	0.6
441.08203	3.6
455.09796	1.5
459.09122	6.4
460.09662	0.9
471.09241	1.0
473.10812	12.3
473.17456	0.7
474.11282	1.4
485.10651	0.7
489.10443	3.2
503.11972	2.7
519.11456	0.9
561.12317	0.7
575.13812	0.5
579.13507	45.7
580.13885	4.7
593.15076	100.0
594.15466	10.8
656.56793	0.6
779.59802	0.6
872.00073	0.6
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
55.01744	0.7
59.41037	0.5
60.34872	0.5
71.01247	0.9
71.48685	0.7
73.02815	100.0
74.03156	2.6
74.24984	0.5
84.19626	0.5
96.79333	0.5
99.00744	7.4
99.92499	0.5
116.92735	1.7
117.01817	11.7
119.47880	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	117.0183
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01750	0.6
59.01245	0.8
62.20363	0.2
70.27103	0.7
70.27521	0.4
71.01267	1.3
71.04897	0.5
73.02820	100.0
74.03157	3.6
87.00771	0.3
90.00838	0.4
91.02884	0.4
96.41187	0.2
98.20524	0.3
99.00761	8.8
99.92465	0.4
100.01081	0.5
116.92743	1.4
117.01826	11.8
117.07420	0.4
118.02129	0.7
118.02881	0.8
118.04000	0.5
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
55.01746	0.8
59.01253	2.7
71.01244	3.4
71.04898	1.6
71.06660	1.1
71.07011	1.0
72.01605	1.6
73.02818	100.0
74.02362	1.0
79.32368	0.5
87.00774	1.5
89.01323	0.9
91.41779	0.5
94.25437	0.5
99.00763	8.5
99.92469	2.0
106.76290	0.6
116.02433	1.1
116.07057	43.3
116.92764	4.4
117.01819	12.8
117.07372	2.5
123.37737	0.5
127.10596	0.6
134.19279	0.5
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
55.01734	0.6
59.01246	1.7
70.92291	1.0
71.01235	2.9
71.04884	1.3
72.01590	1.4
73.02815	100.0
74.02347	1.2
87.00754	0.6
89.01323	0.9
91.79185	0.4
93.38540	0.5
99.00755	8.7
99.92477	1.9
113.30274	0.4
116.02459	2.2
116.07053	76.4
116.92755	4.6
117.01009	0.8
117.01817	12.2
117.03298	0.7
117.05426	0.7
117.07407	4.5
131.04573	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1157.2985
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01252	0.4
93.03332	0.2
94.38693	0.2
98.19866	0.4
98.20518	0.3
98.31953	0.2
105.03338	0.2
107.01269	1.0
109.02826	1.2
121.02852	0.5
125.02316	0.5
132.02080	0.3
133.02841	6.9
134.03613	0.2
135.04390	0.8
137.02368	0.2
143.04921	0.2
149.02344	1.8
149.05981	0.2
151.00264	2.4
151.03915	0.5
159.04454	0.2
161.02319	0.6
163.00238	0.3
163.03888	0.5
165.01860	0.4
169.01326	0.2
171.04468	0.4
173.02345	0.2
175.03917	2.3
176.04305	0.2
177.01857	1.2
177.05463	0.5
179.03368	0.5
185.06023	0.4
187.03912	0.4
189.01816	0.4
189.05490	0.4
190.02457	0.2
191.03424	0.5
197.05952	0.3
198.03139	0.2
199.03911	1.4
201.01857	0.9
201.05566	0.2
203.03400	0.8
205.01381	0.4
205.04977	0.2
207.03009	0.2
211.03876	0.5
213.05505	0.7
215.03464	0.4
217.05029	1.3
219.02885	0.4
221.04442	0.2
226.02550	0.3
227.03427	0.5
229.05063	0.4
233.04474	0.3
235.02368	0.3
237.05486	0.2
239.03513	0.2
239.07149	0.3
240.04300	0.2
241.04941	0.7
243.02875	0.6
245.04449	0.5
253.05020	0.3
255.02927	0.6
255.06610	0.2
256.03696	0.8
257.04529	0.5
265.05124	0.2
267.03238	0.3
267.06573	0.4
268.03568	0.2
268.07089	0.2
269.04425	0.5
269.08005	0.3
270.05142	0.2
281.04633	0.3
281.08206	0.3
283.02780	0.3
283.05823	0.9
284.03268	11.3
285.04025	100.0
286.04388	6.4
293.04456	0.3
295.06110	0.4
297.04108	1.8
298.04807	4.1
299.05563	2.4
300.05981	0.2
309.03983	0.8
310.04681	0.8
311.05594	3.4
312.06323	3.7
313.03561	0.7
313.07123	3.9
314.07510	0.3
323.05585	0.7
325.03662	0.3
325.07135	1.0
325.91693	0.2
326.07623	0.2
327.05066	3.8
328.05505	0.4
328.87085	0.2
329.06070	0.2
330.03851	0.2
337.03311	0.2
337.07126	0.5
339.05081	5.5
340.05444	0.7
341.06595	2.9
344.05359	0.5
347.88110	0.2
351.04929	0.5
353.06595	2.1
354.07166	0.4
355.04419	0.4
357.06036	1.5
367.04694	0.9
367.08395	0.2
368.04706	0.2
369.06122	15.9
370.06494	1.6
371.07758	0.6
381.06079	2.5
382.06363	0.3
383.07584	0.8
385.05704	0.8
386.06039	0.4
395.08011	0.4
397.05588	0.5
399.07190	15.9
400.07397	1.4
411.07114	2.0
412.07675	0.2
413.08817	0.5
415.06577	0.7
416.06714	0.3
417.07675	0.3
423.07022	0.4
428.06976	0.2
429.08218	3.8
430.08676	0.4
441.08267	2.4
442.08694	0.3
447.09192	0.5
455.10086	0.2
459.09244	3.8
460.09637	0.4
471.09451	0.8
473.10965	1.6
475.08667	0.9
489.10345	0.8
491.11728	0.2
503.11847	0.7
505.09814	2.1
506.10260	1.7
507.10400	0.8
545.13208	0.7
547.14893	0.3
561.12244	1.0
562.13190	0.6
563.14032	33.5
564.14398	3.9
565.14453	0.4
575.14075	0.9
577.15192	0.7
579.14069	0.2
591.13409	0.6
592.13904	0.6
593.15088	94.3
594.15411	9.6
595.15558	0.7
609.14136	0.3
930.33856	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1154.6596
Annotation	Unknow
Peak:m/z	Relative Intensity
80.96381	0.3
87.00726	0.2
94.97991	0.1
96.96832	7.9
98.20573	0.2
115.00294	0.1
122.00018	0.1
140.01102	0.6
150.97920	0.5
152.99480	23.7
153.99838	0.3
171.00545	25.4
172.00966	0.2
175.02405	0.3
207.80370	0.1
214.04842	0.4
279.23276	0.6
303.51816	0.1
384.22931	0.3
402.24112	3.9
403.24356	0.4
412.07047	0.2
476.27771	100.0
477.28119	9.1
477.38184	0.2
577.26904	1.0
741.46515	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	1155.3192
Annotation	Unknow
Peak:m/z	Relative Intensity
84.88457	0.1
85.02805	0.1
87.00725	0.1
89.03835	0.2
93.03336	0.1
95.01267	0.3
97.02835	0.1
101.02251	0.1
103.01789	0.2
105.03358	0.5
107.01262	0.1
113.02286	0.1
114.49453	0.1
115.00223	0.2
117.03349	0.6
119.04861	0.6
121.02829	1.2
133.02834	0.8
134.03592	0.2
135.00764	0.1
135.04407	0.1
136.01553	0.2
143.04907	1.2
145.02847	1.9
147.04355	0.1
149.02312	0.4
153.06897	0.1
157.06494	0.2
161.02365	0.5
162.03105	0.2
163.00301	0.4
165.01839	1.4
165.07072	0.1
167.04941	0.2
167.08522	0.5
175.00276	0.4
175.02386	0.3
175.03932	0.3
177.01834	0.3
179.08568	0.2
180.05736	0.4
181.06497	1.4
185.06012	0.2
189.01830	0.1
193.06567	0.3
194.07315	0.4
195.08067	0.8
197.06068	0.1
201.01820	0.1
207.08119	0.3
208.05225	0.3
209.06042	0.4
211.03897	0.3
211.07674	0.1
221.06050	0.4
222.06749	0.1
223.07600	3.9
224.04628	0.2
224.07909	0.2
225.05455	0.2
235.07550	0.4
237.05521	1.0
238.06293	1.1
239.07069	1.0
249.05547	0.2
251.03333	0.1
251.07076	0.4
252.04259	0.2
253.05045	3.3
254.05334	0.2
255.02602	0.1
263.07135	0.9
265.05045	5.6
266.05756	2.5
267.06598	48.1
268.06921	2.7
269.04587	1.0
270.05020	0.2
277.04999	1.9
278.05618	0.2
279.06598	5.2
280.06964	0.4
281.04703	0.1
281.08112	0.2
283.06207	0.3
284.03302	0.3
285.03979	0.6
289.05023	0.2
291.06503	0.5
292.03729	0.3
292.06793	0.1
293.04553	0.9
293.07831	0.2
295.06088	71.4
296.06427	4.6
297.03964	1.2
298.04785	4.0
299.05478	0.9
303.06686	0.1
305.04474	0.3
307.06107	7.4
308.06528	0.4
309.04199	0.2
309.07608	0.8
311.05606	0.8
312.06329	0.3
313.07242	0.3
319.06192	0.1
321.07727	0.2
323.05524	0.5
325.07147	20.4
326.07513	1.5
327.05060	2.0
328.05365	0.1
333.07623	0.2
337.07178	2.0
338.07510	0.1
339.05032	0.7
339.08725	0.5
341.06558	0.4
349.07187	0.1
351.04630	0.1
351.08765	0.1
353.06778	0.2
355.08133	0.2
357.06055	2.0
358.06323	0.1
361.07306	0.2
367.08298	0.5
369.06122	1.4
370.06528	0.2
379.08417	0.3
381.06113	0.2
395.07529	0.1
397.09369	0.3
399.07120	1.2
411.07098	0.2
413.08725	0.3
414.09332	0.1
415.10303	100.0
416.10654	7.1
416.16400	0.2
429.07928	0.2
431.09793	4.1
432.10040	0.3
444.82611	0.1
457.11569	0.6
473.10983	0.7
475.08643	0.6
543.11322	0.2
545.13245	0.3
561.12738	0.3
575.13464	0.2
577.15576	4.2
578.15887	0.4
593.14862	0.2
606.34467	0.1
670.17883	0.1
764.34479	0.1
794.98242	0.1
852.97388	0.1
873.99963	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	115.0026
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52862	1.2
57.03310	1.7
59.01258	8.5
69.83328	1.4
70.94493	2.8
71.01254	99.8
71.04892	5.6
72.01593	2.9
73.03935	8.0
87.00758	15.0
89.01342	1.6
101.14774	1.4
101.72583	1.4
115.00244	12.8
115.03908	9.2
115.05179	1.7
115.05847	13.8
116.02428	3.5
116.07058	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	115.0026
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20402	2.0
59.01248	7.6
61.03532	1.9
64.45127	2.2
64.45469	2.3
70.27760	7.9
71.01254	100.0
71.04870	3.4
72.01610	2.5
81.91075	2.1
87.00751	17.5
89.01357	3.3
99.55769	2.2
115.00241	12.3
115.05828	6.3
116.07054	42.9
133.95305	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	1143.5846
Annotation	Unknow
Peak:m/z	Relative Intensity
82.90125	0.1
84.85781	0.2
96.96841	8.5
97.74739	0.2
99.59076	0.2
119.36246	0.2
134.98398	0.3
150.97908	0.6
152.99484	39.5
153.99779	0.4
171.00581	0.4
179.05499	0.2
183.80222	0.2
223.00063	1.7
241.01137	22.2
242.01520	0.5
246.68102	0.2
255.23257	51.5
256.23624	2.9
259.02280	0.4
315.04852	6.2
316.05328	0.2
391.22397	2.1
409.23911	0.2
571.28845	100.0
572.29169	9.1
572.38507	0.3
573.98853	0.2
970.37231	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	114.0549
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40542	0.2
59.01243	0.9
66.03359	2.9
69.46771	0.2
70.49332	0.7
70.49679	0.4
71.01238	0.5
71.04886	0.5
73.03927	0.3
86.02329	1.6
87.00739	1.3
91.45680	0.2
98.20474	0.3
112.03917	0.8
114.05489	100.0
115.00214	0.3
115.03896	0.6
115.05171	0.5
115.05843	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	114.0549
Annotation	L-Proline
Peak:m/z	Relative Intensity
59.01246	1.9
66.03358	2.7
67.03691	0.2
69.53079	1.6
71.01253	0.8
73.03939	0.3
80.19082	0.2
81.08264	0.2
84.32061	0.2
86.02339	1.6
87.00747	7.5
89.57523	0.2
105.78584	0.2
112.03920	0.9
114.05491	100.0
115.00258	0.7
115.05206	0.3
115.05830	4.9
122.72148	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	114.0549
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97550	0.6
53.40226	0.5
57.03325	0.7
58.03656	1.1
59.01250	3.2
66.03358	3.3
70.71949	2.0
71.01254	19.2
71.04887	2.8
72.00787	1.1
73.03939	2.7
76.73034	0.7
85.02818	1.6
86.02364	1.8
86.03153	3.4
87.00750	5.2
97.02796	0.7
112.03913	1.1
114.02686	2.1
114.05493	100.0
115.00252	2.6
115.03884	4.0
115.05830	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	1127.5804
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95767	1.4
78.98462	2.5
79.95600	5.8
80.96387	31.7
81.03322	0.3
85.02818	1.3
87.00740	1.2
88.88992	0.2
94.97962	8.6
95.01260	0.2
96.95889	0.6
97.02824	0.8
98.19757	0.2
99.00726	0.3
101.02311	1.1
106.97974	1.7
110.62020	0.2
113.02327	0.2
115.00245	0.2
122.97459	1.7
125.02351	1.8
125.63696	0.2
127.03873	0.5
134.97472	2.7
136.99022	0.9
148.99037	3.7
152.98509	3.1
152.99519	0.6
161.88814	0.2
164.98540	7.1
167.00085	0.2
175.02393	0.3
182.99525	0.3
187.50909	0.2
188.98550	0.2
198.13220	0.2
206.99615	1.7
225.00691	14.8
226.01004	0.4
241.01138	0.7
243.01804	0.3
255.23257	3.4
256.23819	0.2
275.42154	0.2
292.14566	0.2
299.04449	2.6
315.04953	0.3
481.18515	0.2
555.28400	100.0
556.28717	10.6
556.37585	0.3
571.28931	2.5
572.29370	0.3
789.11682	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	113.0233
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	6.6
57.03054	1.2
57.03321	16.0
58.03648	0.7
58.73001	0.6
60.93159	0.5
66.03355	3.2
67.01752	1.3
69.03307	0.7
70.69416	0.9
70.69752	1.0
71.01248	2.5
72.99157	1.1
83.01254	2.7
84.02032	8.5
84.39663	0.5
85.02819	48.5
86.02339	1.8
86.03161	1.5
86.18155	0.5
93.07959	0.5
95.01286	0.7
95.95126	0.7
104.93427	0.5
111.00716	0.7
112.03924	0.5
113.02329	10.1
114.05489	100.0
126.49821	0.6
133.31726	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1127.2873
Annotation	Unknow
Peak:m/z	Relative Intensity
79.01772	0.3
97.02796	0.3
107.01257	0.3
107.04856	0.2
109.02830	1.1
115.40356	0.2
119.04967	0.3
121.02855	0.3
123.04420	0.2
131.04977	0.2
132.02126	0.2
133.02849	6.3
134.03587	0.7
135.04396	0.8
137.02325	0.3
145.02853	0.3
147.04398	0.2
149.02313	0.6
149.05956	0.5
150.03152	0.2
151.03909	0.3
159.04417	0.3
161.02316	0.7
161.05978	0.3
163.03894	0.7
165.01884	0.2
173.05916	0.2
174.03246	0.3
175.03897	1.7
177.01855	1.4
177.05504	0.7
179.03412	0.5
187.03943	0.2
189.01848	0.5
189.05492	0.6
191.03395	0.6
193.04947	0.2
199.03951	0.3
201.01849	0.8
203.03517	1.1
205.01323	0.5
205.04987	0.5
211.03906	0.4
212.70488	0.2
213.05505	0.6
215.03490	0.4
217.01456	0.2
217.05020	0.4
221.04343	0.3
225.05528	0.3
226.06264	0.2
227.03474	0.3
229.05005	0.3
233.04393	0.5
235.02354	0.4
237.05579	0.2
239.07101	0.4
240.04059	0.2
241.04996	0.4
241.08722	0.2
242.01891	0.3
245.04453	0.9
249.05704	0.2
251.07123	0.3
253.05013	0.4
254.05803	0.5
255.03104	0.4
255.06436	0.3
257.04639	0.3
259.06143	0.2
265.05029	0.5
267.06573	0.8
269.04541	0.8
279.06436	0.4
281.04459	0.5
281.08246	0.7
282.05203	0.5
283.06018	1.3
284.06958	0.3
285.04083	1.5
293.04501	0.3
295.06052	0.6
296.03180	0.2
297.04083	2.6
297.07510	0.3
298.04797	5.9
299.05508	3.4
309.04041	1.4
309.07501	0.3
310.04794	1.0
311.05594	5.9
312.06360	7.6
313.03458	0.4
313.07138	6.7
314.07440	0.5
323.05606	1.8
324.06113	0.7
325.03705	0.3
325.07217	1.4
327.05078	5.4
328.05371	0.4
330.03903	0.4
337.03726	0.3
337.07089	1.2
338.04108	0.3
339.05075	10.4
340.05502	1.0
341.06589	5.0
342.06876	0.5
344.05426	0.8
349.07190	0.4
351.05096	0.9
353.06625	3.6
354.07260	0.2
355.04486	0.3
357.06033	1.4
365.06754	0.4
366.03421	0.3
367.04160	0.9
367.08347	0.6
369.06116	38.2
370.06479	2.9
371.07660	0.9
381.06070	6.0
382.06323	0.5
383.07794	1.4
384.07816	0.3
385.05701	0.5
393.06165	0.5
395.07474	0.9
397.05432	0.6
399.07172	38.7
400.07544	2.9
405.06467	0.3
411.07202	4.2
412.07532	0.3
413.08838	0.8
415.06680	0.3
416.06946	0.2
423.07120	1.5
429.08240	8.2
429.14017	0.4
430.08487	0.6
437.08853	0.3
441.08255	5.4
442.08444	0.5
443.09729	0.6
449.08746	0.3
453.08200	0.4
455.09775	0.9
459.09274	9.0
460.09769	0.8
467.09692	0.3
471.09238	1.0
473.10873	4.9
474.10941	0.4
475.08749	1.0
476.09171	0.6
477.08954	0.4
485.11063	0.7
489.10440	1.5
503.11917	1.8
533.12598	0.3
545.13025	2.2
547.14789	2.3
548.15057	0.4
561.11993	1.1
562.12952	1.0
563.14032	100.0
564.05536	0.5
564.14337	8.4
565.14606	0.7
593.14777	0.4
1045.82446	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1123.4891
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95773	66.0
96.96842	4.5
144.92055	0.5
150.97919	0.7
152.99484	64.5
153.99817	0.8
171.00549	17.5
172.00960	0.6
175.02373	0.9
227.03171	3.6
245.04276	74.9
246.04715	1.4
253.21698	39.7
254.22018	1.5
255.23248	0.7
281.24808	1.3
282.25183	0.7
478.29514	3.9
479.29602	2.9
480.30368	1.4
481.25687	100.0
482.26031	7.7
514.93317	0.6
772.70807	0.5
795.23242	1.1
895.45380	0.9
930.53815	0.6
1123.49146	23.4
1124.48975	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	1111.5754
Annotation	Unknow
Peak:m/z	Relative Intensity
78.97992	0.1
78.98461	2.8
79.95604	4.6
80.96387	28.6
81.03329	0.4
83.01250	0.1
85.02827	1.2
87.00751	1.4
91.03869	0.1
94.97958	7.7
95.01282	0.2
95.85768	0.1
96.95888	0.6
97.02817	0.8
98.19896	0.1
99.00771	0.2
101.02313	1.2
106.97967	1.4
113.02337	0.2
122.97462	1.8
125.02343	1.7
127.03890	0.4
134.96446	0.2
134.97472	2.6
136.99039	1.0
138.96931	0.1
143.03403	0.2
146.97467	0.3
148.99043	3.3
152.97292	0.1
152.98543	3.1
164.98537	6.6
165.98865	0.1
167.00113	0.2
179.00139	0.2
188.98538	0.2
206.99640	1.8
225.00688	14.0
226.01004	0.3
238.05638	0.1
255.23256	1.5
256.23581	0.1
274.75266	0.1
299.04401	3.0
317.05435	0.1
555.28381	100.0
556.28717	9.3
957.14136	0.1
1041.41528	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	1114.6203
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95770	41.7
79.91864	0.1
79.96258	0.1
82.94869	0.1
96.96833	7.6
98.19775	0.5
109.55410	0.2
137.75928	0.2
150.97932	0.7
152.99481	54.9
153.99811	0.5
171.00577	1.6
218.49036	0.2
223.00069	7.4
230.35094	0.2
230.91904	0.2
233.27097	0.2
241.01137	15.2
242.01613	0.4
253.61266	0.2
259.02188	1.0
261.22137	0.2
279.23267	41.1
280.23581	2.8
285.02328	0.2
315.04852	6.2
316.05267	0.2
333.05856	0.7
358.70947	0.2
530.64984	0.2
595.28851	100.0
596.29163	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	111.0077
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18136	1.2
50.53865	1.2
52.51461	1.2
55.01760	24.0
67.01755	10.6
70.21548	6.3
71.01259	7.3
78.95779	100.0
83.01260	65.7
84.01596	1.9
110.89794	1.8
110.97455	5.1
110.98403	1.5
111.00776	37.3
111.01893	3.6
111.04398	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	111.0077
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	5.4
67.01761	47.0
68.02108	2.4
71.20353	3.6
83.01263	13.6
85.02787	2.2
87.68423	2.1
111.00764	100.0
111.01888	4.7
111.04408	4.9
112.01036	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	1106.6599
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95770	17.5
88.03145	0.2
95.18925	0.2
96.95881	0.2
96.96810	0.2
98.20585	0.2
122.00021	0.8
134.98401	0.2
140.01071	4.6
140.02164	0.3
152.99475	1.7
166.02602	0.2
171.00529	0.4
196.03714	9.1
197.04141	0.2
214.04820	1.6
214.88487	0.2
255.23248	100.0
256.23584	6.2
382.29996	0.2
406.49680	0.2
452.27783	89.0
453.28110	6.8
653.26379	0.2
807.46594	0.2
1107.52124	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1104.4943
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95770	42.6
88.05983	0.2
90.81368	0.2
96.96828	3.2
115.00296	0.2
123.98035	0.2
130.50691	0.2
152.99483	7.0
156.56589	0.2
171.00543	7.7
189.53111	0.2
279.23279	4.5
280.23651	0.3
402.23862	1.1
413.90314	0.2
437.12305	0.4
438.13220	0.6
451.13919	0.5
452.14743	2.5
453.15265	0.4
465.16580	0.3
466.16266	0.5
467.17438	0.2
469.11316	0.3
476.27780	26.6
477.28046	1.6
479.17319	0.6
480.14548	0.8
481.14926	7.6
482.15234	1.4
484.13925	0.6
493.15387	1.9
494.15726	0.7
495.16730	14.8
496.17206	2.6
498.15506	0.4
502.14651	0.3
507.16364	1.2
508.17618	2.1
509.18625	1.2
511.16196	0.2
512.12946	1.2
513.13989	0.2
518.16187	0.4
519.16724	0.5
521.14569	0.8
522.15320	0.6
523.16351	0.7
523.19525	0.6
524.15930	0.3
525.17303	0.3
526.14648	1.1
530.14380	0.3
533.17987	1.0
535.16205	2.0
536.16931	2.9
537.17261	0.4
539.15851	0.6
540.16840	3.4
541.16943	0.4
544.16260	0.2
549.17682	0.3
550.17865	0.3
551.19354	44.9
552.19580	8.8
552.28192	0.4
553.17188	0.8
554.18335	2.0
555.18695	1.3
567.18774	0.7
568.15649	0.9
572.15503	4.1
573.15833	0.5
578.94897	0.2
583.21912	0.6
584.22162	0.3
586.17114	4.6
587.17072	0.8
595.18127	1.9
600.18042	0.3
627.20917	100.0
628.21155	17.3
726.91736	0.2
829.26227	0.2
928.28027	0.2
1104.49402	6.5
1105.49805	2.1
1109.95288	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1097.6781
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95770	5.8
78.98418	0.2
79.95592	0.4
80.96386	2.1
86.86614	0.1
94.97966	0.7
122.97459	0.3
134.97514	0.1
152.98512	0.2
152.99532	1.3
158.79051	0.1
164.98520	0.4
165.54523	0.1
168.04227	1.5
171.00510	0.1
182.99629	0.1
206.99443	0.2
224.06905	0.9
225.00673	0.8
227.46359	0.1
242.07933	2.7
243.01735	0.1
261.22211	0.5
277.21729	0.1
279.23267	100.0
280.23605	6.4
299.04523	0.1
433.23572	0.1
504.30927	77.8
505.31232	7.5
519.27374	0.4
577.26862	3.6
578.27069	3.4
578.34802	2.5
579.26825	0.4
579.34924	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1097.6782
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95776	16.3
94.36517	0.2
96.96881	0.2
98.47580	0.2
112.10789	0.2
122.98423	0.4
134.98441	0.2
152.98380	0.2
152.99516	2.6
168.04224	3.1
224.06871	7.9
225.07159	0.4
242.07935	2.0
261.22186	0.3
279.23279	88.4
280.23611	6.7
370.06262	0.2
393.31247	0.2
461.84207	0.2
504.30954	100.0
505.31302	10.4
505.38821	0.4
519.27289	0.8
547.22339	0.2
578.34698	2.4
579.34888	0.3
777.36469	0.2
893.80652	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1066.6198
Annotation	Unknow
Peak:m/z	Relative Intensity
75.00735	0.9
77.53532	0.3
78.95770	30.2
96.96829	6.8
150.97902	0.6
152.99481	35.1
153.99828	0.5
171.00534	0.7
185.39523	0.3
209.11871	0.3
223.00034	1.3
241.01134	21.3
242.01511	0.3
255.23256	47.3
256.23587	3.0
274.05188	0.3
276.78226	0.3
315.04840	6.1
370.92810	0.3
391.22430	1.4
571.28839	100.0
572.29138	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	1069.3764
Annotation	Unknow
Peak:m/z	Relative Intensity
79.01755	0.4
82.42891	0.3
83.01266	0.6
85.02816	0.7
98.14538	0.4
101.02320	0.8
105.03368	0.7
107.01288	0.7
109.02811	2.1
113.02316	0.7
119.04913	1.0
121.02832	1.7
123.04313	0.4
125.02320	1.0
132.02057	0.6
133.02844	11.4
135.04416	1.6
137.02298	0.4
147.04404	1.2
149.02327	1.3
151.03883	0.4
161.02362	1.3
163.00238	1.5
163.03903	2.7
165.01820	1.5
175.03897	2.7
177.01877	0.9
179.51410	0.4
191.03386	1.4
193.01303	1.6
199.03935	1.4
201.01825	1.4
203.03368	0.6
209.05894	0.4
211.03926	1.1
211.07333	0.4
213.05531	1.2
215.03526	0.6
225.05490	0.6
226.02510	0.4
227.03229	0.4
229.04921	0.5
240.04292	0.9
241.05002	0.7
253.05035	1.3
255.02910	0.8
255.06599	0.9
256.03677	0.5
269.04559	1.3
270.05484	0.4
271.06287	0.5
281.04477	0.8
284.03235	7.7
284.06192	0.6
285.04041	6.8
297.00668	0.8
297.04037	14.8
298.04767	10.2
299.05576	17.8
300.05865	1.6
309.04071	1.3
311.05588	3.1
312.06216	0.5
313.03595	0.6
313.07104	0.7
324.02765	0.4
325.03458	1.2
327.05075	93.9
328.05466	7.4
339.05008	4.0
341.06619	1.4
357.06137	26.1
358.06473	1.4
369.06064	5.5
370.06418	0.6
393.06070	1.0
399.07169	3.3
411.07019	0.7
429.07910	0.8
447.09290	100.0
448.09677	8.9
489.10410	1.1
503.11963	0.5
517.26501	6.3
518.26953	0.9
535.27399	1.0
577.28735	2.5
593.15125	13.3
594.15314	2.0
595.15973	0.5
1043.99451	0.5
1051.40479	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1057.3556
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02448	1.6
73.02819	17.9
83.01254	7.6
85.02807	3.7
87.00751	1.4
89.02315	5.4
93.03350	5.8
95.01266	2.9
96.95874	1.2
99.00734	1.8
101.02322	25.0
104.46692	1.1
108.02057	1.8
109.02837	3.7
113.02327	7.2
115.00242	1.5
119.03387	3.2
121.02837	8.7
122.03632	16.3
123.04429	1.4
124.01563	1.3
130.88646	1.2
131.03383	1.5
133.02844	4.0
134.03581	1.4
135.04381	1.7
136.01553	14.8
137.02371	7.0
138.03075	1.4
143.03314	1.9
145.02791	6.3
146.03651	5.5
149.02362	26.1
149.04410	3.9
149.06012	1.6
150.03127	100.0
151.00255	5.2
151.03917	34.8
152.01016	1.5
152.04762	1.3
154.52354	1.1
161.02335	4.1
161.04446	7.7
161.05931	3.1
162.03123	30.7
163.03780	1.8
164.04692	5.0
165.05479	94.9
166.02621	15.7
166.05801	2.0
167.03337	2.2
175.02449	1.3
177.05493	20.2
179.03320	1.3
179.07034	4.9
180.04210	6.7
181.04993	17.1
184.03589	1.3
187.03923	1.2
191.03407	1.3
192.04112	2.1
195.06551	53.9
196.06813	1.4
205.04970	3.8
211.13339	1.5
219.06528	2.7
220.07300	3.4
221.06544	2.0
249.15256	1.4
279.65594	1.1
315.08780	1.1
337.03503	1.5
375.20279	3.9
387.10355	2.8
387.14603	3.0
402.13446	1.5
403.13690	1.9
417.15518	14.8
501.30667	1.8
535.15961	2.0
549.17279	1.2
550.18738	1.4
563.19141	1.5
564.19482	1.5
565.20746	22.9
566.20721	1.9
577.20441	6.0
578.21417	1.4
580.30255	1.3
595.21295	3.0
613.22839	15.7
667.23737	2.1
713.26086	3.1
725.25964	17.4
726.25867	1.7
743.26764	2.2
761.27924	6.9
773.28052	10.2
774.28577	1.9
791.28979	4.6
809.30347	17.4
810.30664	3.5
965.34955	2.5
1002.50525	1.3
1013.36292	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	1057.3552
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02813	24.0
83.01247	10.1
85.02829	3.5
87.00747	3.6
89.02322	5.8
93.03316	4.9
95.01264	1.5
101.02320	28.9
108.02048	1.4
109.02816	3.4
113.02319	11.8
115.00276	1.2
117.03355	1.7
119.03389	2.7
119.04921	1.0
121.02850	9.1
122.03632	16.8
123.00748	2.1
123.04340	1.2
125.02377	2.0
131.03355	2.5
131.04892	1.0
133.02859	3.6
134.03641	2.6
135.04376	2.3
136.01537	15.7
137.02371	6.9
139.03860	1.4
143.03355	4.3
145.02858	7.3
146.03651	6.2
147.04379	1.3
149.02341	28.2
149.04440	4.9
149.05899	1.5
150.03122	100.0
151.00244	5.3
151.03915	36.0
152.01028	1.3
152.04462	1.8
153.01813	1.3
155.03418	1.8
161.02370	6.2
161.04448	10.9
161.05980	4.0
162.03128	35.9
163.03801	1.5
164.04700	6.0
165.05473	86.4
166.02628	15.2
166.05794	2.7
167.03418	1.1
175.02368	2.1
175.03877	1.0
177.01944	1.4
177.05482	23.8
178.05760	1.2
179.03474	1.3
179.05731	1.0
179.07039	6.3
180.04156	7.3
181.04967	18.5
181.78151	0.9
187.03900	1.1
191.03406	1.2
192.04269	1.9
195.06549	55.2
196.06850	2.9
203.05511	1.2
205.05035	5.0
206.05661	1.0
207.06499	1.3
219.06558	3.3
220.07283	2.7
221.06573	2.8
235.09615	1.2
285.04053	1.2
311.05716	1.2
314.07791	1.0
339.10999	1.8
348.21005	1.1
372.11703	1.2
375.20306	2.8
387.10269	1.8
387.14508	3.6
399.12872	1.6
402.13321	1.2
403.13760	1.4
416.14590	1.2
417.15469	14.3
519.32001	2.5
535.16968	1.3
535.31158	1.3
550.18256	1.5
563.19208	2.6
564.20142	0.9
565.20752	24.1
566.20898	3.0
577.20642	8.7
595.21906	3.3
613.22900	15.7
614.22992	1.6
636.41644	1.1
667.23633	1.4
713.26056	2.9
714.25421	1.3
725.26135	23.7
726.26465	3.8
743.27319	2.8
755.26593	2.4
761.27997	7.4
773.27734	14.1
774.28790	1.7
791.29315	2.4
809.30225	17.5
810.30591	2.9
816.97180	1.0
817.29211	1.4
965.33759	4.5
1013.35767	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	1051.366
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02845	0.5
80.98376	0.2
85.02822	0.6
98.15981	0.2
101.02325	0.6
109.02828	0.8
121.02808	0.4
125.02279	0.5
133.02837	6.4
135.04436	0.4
135.98276	0.4
147.04407	0.5
149.02354	0.7
151.03928	0.4
161.02293	0.5
163.00266	0.8
163.03894	0.9
165.01810	0.9
173.02324	0.7
175.00331	2.1
175.02467	0.4
175.03812	1.3
177.01828	0.4
178.76683	0.3
191.03430	0.8
193.01398	0.5
199.03937	0.8
201.01828	1.0
203.03397	0.5
209.06142	0.3
219.50180	0.3
225.05617	0.4
237.05443	0.7
240.04300	0.4
241.05083	0.4
251.03156	0.4
253.04971	0.5
255.02951	0.3
255.06592	0.5
265.05057	1.0
267.03018	0.9
269.04538	1.4
271.06128	0.4
281.04633	0.4
283.06378	0.4
284.03250	4.4
285.04031	4.6
286.04340	0.3
297.04044	9.4
298.04770	8.2
299.05585	10.3
300.05917	0.9
309.04037	31.3
310.04428	2.7
311.05643	2.1
312.05911	0.3
324.02673	0.4
325.03424	1.2
325.06985	0.3
326.04086	0.4
327.05081	52.3
328.05450	4.2
330.03769	0.5
339.05045	2.5
341.06525	0.3
350.13110	0.3
353.06854	0.5
357.06155	17.7
358.06433	1.8
367.04495	0.7
369.06021	1.4
377.06909	0.5
385.05487	0.3
395.07690	0.7
411.07257	0.7
413.08734	11.1
414.09167	1.1
439.21054	0.3
473.10913	6.1
474.10822	0.6
475.08447	0.5
475.23059	0.4
575.14233	2.4
576.14423	1.1
577.15576	100.0
578.15961	13.7
578.23303	0.2
579.16211	0.6
941.59009	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1049.6788
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95774	15.0
95.81597	0.2
112.54829	0.2
152.99495	2.8
168.04214	2.6
224.06877	7.9
242.07964	1.6
255.23262	100.0
256.23596	5.9
285.31992	0.2
354.95819	0.2
358.09933	0.2
480.30930	96.1
481.31277	7.9
495.27203	0.8
554.34613	4.8
555.35229	0.5
1054.73181	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1051.366
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02845	0.5
80.98376	0.2
85.02822	0.6
98.15981	0.2
101.02325	0.6
109.02828	0.8
121.02808	0.4
125.02279	0.5
133.02837	6.4
135.04436	0.4
135.98276	0.4
147.04407	0.5
149.02354	0.7
151.03928	0.4
161.02293	0.5
163.00266	0.8
163.03894	0.9
165.01810	0.9
173.02324	0.7
175.00331	2.1
175.02467	0.4
175.03812	1.3
177.01828	0.4
178.76683	0.3
191.03430	0.8
193.01398	0.5
199.03937	0.8
201.01828	1.0
203.03397	0.5
209.06142	0.3
219.50180	0.3
225.05617	0.4
237.05443	0.7
240.04300	0.4
241.05083	0.4
251.03156	0.4
253.04971	0.5
255.02951	0.3
255.06592	0.5
265.05057	1.0
267.03018	0.9
269.04538	1.4
271.06128	0.4
281.04633	0.4
283.06378	0.4
284.03250	4.4
285.04031	4.6
286.04340	0.3
297.04044	9.4
298.04770	8.2
299.05585	10.3
300.05917	0.9
309.04037	31.3
310.04428	2.7
311.05643	2.1
312.05911	0.3
324.02673	0.4
325.03424	1.2
325.06985	0.3
326.04086	0.4
327.05081	52.3
328.05450	4.2
330.03769	0.5
339.05045	2.5
341.06525	0.3
350.13110	0.3
353.06854	0.5
357.06155	17.7
358.06433	1.8
367.04495	0.7
369.06021	1.4
377.06909	0.5
385.05487	0.3
395.07690	0.7
411.07257	0.7
413.08734	11.1
414.09167	1.1
439.21054	0.3
473.10913	6.1
474.10822	0.6
475.08447	0.5
475.23059	0.4
575.14233	2.4
576.14423	1.1
577.15576	100.0
578.15961	13.7
578.23303	0.2
579.16211	0.6
941.59009	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1048.3672
Annotation	Unknow
Peak:m/z	Relative Intensity
85.02843	0.3
95.01254	0.2
100.38810	0.2
109.02831	1.3
112.62582	0.2
119.47624	0.2
121.02826	0.3
133.02831	6.3
133.03799	0.4
134.03656	0.5
135.04442	0.7
149.02353	0.6
150.03244	0.3
151.00343	0.2
151.03947	0.5
161.02356	0.5
163.03932	0.6
165.01817	0.3
175.03867	1.8
177.01826	1.6
177.05484	0.4
179.03377	0.5
189.01807	0.5
189.05518	0.2
191.03470	0.7
201.01868	1.1
203.03398	1.5
205.01375	0.9
205.05025	0.3
207.02885	0.4
213.05498	0.7
215.03445	0.4
217.05016	0.5
219.03040	0.5
225.05670	0.4
227.03465	0.4
231.02956	0.7
233.04543	0.6
235.02325	0.2
238.04161	0.2
239.07182	0.6
241.05040	0.4
243.03030	0.3
245.04483	0.5
249.03827	0.3
251.07161	0.3
253.04985	0.3
254.05789	0.3
255.02934	0.3
255.06609	0.4
257.04694	0.3
261.03961	0.3
263.02072	0.3
265.04935	0.4
266.05811	0.3
267.02917	0.3
267.06583	0.8
269.04611	0.7
269.08157	0.2
271.06223	0.3
277.05002	0.3
281.04514	0.6
282.05331	0.5
283.06107	1.1
284.03336	0.4
285.04056	1.2
293.04611	0.6
294.05096	0.3
295.06195	0.8
297.04028	2.7
298.04816	5.6
299.05560	4.7
300.05969	0.2
301.03494	0.3
309.04028	1.6
309.07175	0.3
310.04782	1.6
311.05597	6.6
312.06351	6.4
313.03485	0.3
313.07132	6.2
314.07584	0.3
323.05518	1.7
324.02869	0.5
324.06360	0.3
325.03458	0.9
325.07175	1.2
327.05078	7.2
328.05435	0.5
330.03784	0.4
335.05334	0.4
337.03613	0.6
338.04190	1.1
339.05045	11.5
340.05542	0.9
341.06674	4.7
342.03604	0.3
342.07260	0.3
343.04675	0.3
344.05450	0.9
351.05078	1.4
352.05276	0.3
353.06592	2.7
355.04538	2.6
357.06091	2.0
365.06610	0.3
367.04504	5.6
367.08734	0.4
368.05096	0.4
369.06113	21.0
370.06778	1.2
371.07776	1.4
379.04630	1.0
381.06088	3.1
383.07709	0.5
385.05621	14.2
386.05893	1.0
397.05582	6.0
398.05933	0.6
399.07184	15.4
400.07681	1.2
405.05917	0.3
409.05829	0.4
411.07339	2.2
413.08936	0.4
415.06683	16.0
416.07199	1.2
417.08078	0.3
421.05624	0.3
423.07193	0.7
427.06500	0.9
429.08350	1.8
439.06732	0.9
441.08170	2.6
445.07712	0.9
453.08426	0.4
457.07687	6.1
458.08353	1.0
459.09320	10.5
460.09583	1.0
471.09207	1.3
475.08792	70.4
476.09106	5.2
543.11377	2.1
561.12445	100.0
562.12799	8.5
577.15619	0.6
588.13550	7.3
589.13324	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1048.3662
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02867	0.4
83.01225	0.4
84.62918	0.4
101.02354	0.4
109.02869	1.5
113.02358	0.6
116.45540	0.4
124.29064	0.4
133.02840	7.7
134.03625	0.7
135.04443	1.4
149.02394	0.9
151.00294	0.4
151.03905	0.7
161.02379	0.7
163.03993	0.6
165.01881	0.6
175.03876	2.5
177.01869	1.4
177.05475	0.6
179.03392	0.6
189.01799	0.8
191.03479	0.7
201.01863	1.6
203.03482	1.7
205.01353	1.0
205.05037	0.7
207.02922	0.9
213.02219	0.4
215.03377	0.4
219.02950	0.6
221.04428	0.4
230.38487	0.4
231.03136	0.5
239.03543	0.5
239.07254	0.6
241.05051	0.7
254.05875	0.4
255.03033	0.6
255.06572	0.8
261.04044	0.5
265.05063	0.6
267.06589	0.8
269.04642	0.6
279.05106	0.7
281.04495	0.7
282.05457	0.5
283.06076	2.0
284.03333	0.8
285.04056	1.3
293.04559	0.9
295.06122	1.3
297.04022	4.3
297.07394	0.6
298.04837	6.7
299.05524	5.9
309.04016	4.1
310.04819	2.8
311.05606	7.0
312.06326	6.7
313.07104	7.2
314.07544	0.7
323.05734	1.3
325.03580	0.9
325.07111	0.9
327.05051	9.9
327.08603	0.7
328.05606	0.8
330.03958	0.5
337.03488	0.7
338.04364	1.6
339.05075	14.4
339.09158	0.8
340.05347	1.1
341.06628	5.1
344.05453	0.7
351.04980	1.3
353.06824	2.9
355.04584	1.8
357.06250	3.8
365.06326	0.4
367.04517	7.2
368.05032	0.8
369.06113	21.8
370.06607	1.2
371.07892	1.8
379.04773	0.6
381.06039	2.9
385.05600	17.0
386.05914	1.2
393.06464	0.7
397.05618	6.8
398.05911	0.6
399.07178	19.2
400.07599	1.4
411.07080	2.2
413.09100	0.9
415.06647	17.8
416.07059	1.5
423.06924	0.5
427.06851	0.9
429.08252	1.7
431.09726	0.5
439.06674	1.5
441.08304	4.2
457.07803	7.1
458.08365	0.8
459.09244	8.4
460.09613	0.7
475.08801	79.7
476.09131	6.0
507.07971	0.5
519.31146	0.5
537.32635	0.8
543.11359	1.1
561.12445	100.0
562.12811	11.2
577.15430	5.6
578.15936	0.5
588.13574	0.8
938.75580	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1045.5217
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99178	2.0
73.02817	1.4
75.00728	1.2
78.95782	0.3
83.01254	4.0
84.02039	0.8
85.02820	2.6
87.00745	39.3
88.01099	0.5
89.02326	1.6
96.58792	0.2
98.19721	0.5
99.00756	0.7
101.02321	2.0
104.81199	0.2
111.00754	3.8
112.98676	1.1
113.02330	1.4
115.00252	54.2
116.00563	0.7
119.03386	0.3
125.02297	0.4
127.00250	1.1
129.01791	0.4
139.00267	3.6
157.01340	5.8
161.04443	0.4
175.02390	100.0
176.02756	2.1
197.15529	0.3
211.13274	0.5
221.06535	0.3
223.13353	0.4
225.14758	1.3
229.81750	0.4
235.08307	0.3
235.16957	0.9
237.14983	0.5
239.12892	0.4
239.16524	0.4
241.14418	1.8
247.13388	0.7
253.14302	0.5
253.18155	0.3
255.16039	0.3
261.14920	1.6
263.16568	0.5
265.14417	0.7
269.13824	0.3
277.21707	5.8
281.17612	1.0
287.15097	0.6
289.14554	0.3
307.15610	0.4
341.71756	0.3
397.13297	1.8
544.00763	0.3
911.50763	0.6
915.49133	0.5
921.51996	0.5
927.49530	7.2
928.49622	1.5
941.50916	3.5
942.51202	1.0
945.50848	2.5
946.52045	0.4
955.52167	0.5
965.51031	2.7
966.51355	0.6
983.52063	7.1
984.52679	1.5
985.49994	1.9
1027.50208	1.3
1045.52063	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1045.5221
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99180	1.7
73.02821	1.2
75.00742	0.9
78.95800	0.3
81.03343	0.3
83.01254	3.8
84.02037	0.8
85.02819	2.1
87.00746	39.2
88.01100	0.4
89.02314	1.1
99.00748	0.8
101.02327	1.6
111.00768	3.3
112.98682	0.7
113.02322	1.7
115.00255	54.0
116.00613	0.6
119.03415	0.4
122.03651	0.3
125.02353	0.4
127.00284	1.2
129.01897	0.3
139.00266	4.1
157.01326	5.8
168.32587	0.2
175.02391	100.0
176.02711	2.3
179.05493	0.4
191.72177	0.2
195.13844	0.4
197.15335	0.3
211.13228	0.5
221.06609	0.5
223.13315	0.5
225.14940	1.1
235.08170	0.3
235.13469	0.3
235.17056	0.8
237.14948	0.5
237.18628	0.2
239.12869	0.3
239.16495	0.8
241.14407	2.7
241.16692	0.3
247.13397	0.7
253.14484	0.4
253.18109	0.5
255.15938	0.6
261.14929	1.8
263.16504	1.0
265.14557	0.5
269.13885	0.4
277.21719	3.6
278.22089	0.3
281.17493	1.4
287.14975	0.7
289.14612	0.6
291.19662	0.4
307.15500	0.7
397.13474	1.3
405.80249	0.2
415.14648	0.6
649.27008	0.3
705.29791	0.4
911.50543	0.3
915.49219	0.3
921.51709	0.3
923.50482	0.4
927.49438	6.5
928.50604	1.0
941.51044	3.9
942.51465	0.7
945.50745	2.8
946.51569	0.5
953.51898	0.4
955.52350	0.5
963.07910	0.3
965.51251	2.5
966.51837	0.5
983.52264	5.4
984.52271	1.2
985.50153	2.0
986.50873	0.4
1027.51489	1.2
1028.51526	0.4
1045.50464	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1041.2516
Annotation	Unknow
Peak:m/z	Relative Intensity
79.01778	0.4
81.03352	0.3
83.01247	0.5
90.90417	0.2
94.82803	0.3
101.02307	0.4
101.41385	0.2
107.01262	0.3
109.02837	1.7
117.03301	0.3
119.04861	0.4
121.02855	0.5
125.02323	0.5
132.01997	0.3
133.02835	8.5
133.03836	0.5
133.06400	0.3
134.03604	0.6
135.04410	1.0
145.02745	0.3
147.04395	0.5
149.02313	0.7
149.06009	0.5
150.03116	0.3
151.03885	0.6
161.02313	0.9
163.00259	0.5
163.03893	1.1
165.01822	0.6
173.02267	0.3
175.03905	2.3
177.01784	1.3
177.05472	0.7
179.03445	0.6
187.03920	0.3
189.01775	0.5
189.05455	0.7
190.02368	0.3
191.03493	1.2
193.01314	0.3
199.03929	0.7
201.01868	1.1
201.05530	0.3
203.03398	1.0
205.01204	0.5
205.04980	0.5
207.02922	0.5
211.03917	0.3
213.05516	0.8
215.03416	0.5
217.04915	0.7
219.03009	0.3
224.04626	0.4
225.05458	0.6
226.06322	0.4
227.03477	0.5
229.05002	0.4
233.04422	0.6
235.02304	0.3
239.07034	0.4
241.05049	0.6
243.02832	0.3
243.06679	0.3
245.04471	0.4
253.04959	0.9
254.05852	0.5
255.03003	0.5
255.06586	0.6
257.04608	0.3
264.04239	0.3
265.05032	0.4
266.05789	0.3
267.06647	0.6
269.04483	0.8
270.05151	0.6
280.03903	0.3
281.04431	0.5
282.05405	0.5
283.06049	1.0
284.03207	2.3
284.06445	0.5
285.04004	3.1
295.05853	0.3
297.04016	6.3
298.04776	8.7
299.05576	7.9
300.05792	0.5
309.04010	1.0
310.04703	0.5
311.05594	6.0
312.06320	6.4
313.03592	0.8
313.07098	6.5
314.07590	0.7
321.04007	0.4
322.04794	0.3
323.05573	1.3
325.03488	0.7
325.07138	1.0
327.05084	28.6
328.05487	1.9
330.03601	0.6
337.03351	0.4
339.05081	9.7
340.05521	1.1
341.06686	4.4
342.07077	0.4
344.05463	0.6
351.04932	1.5
353.06625	2.1
354.06888	0.3
357.01761	0.6
357.06110	10.1
358.06491	0.7
365.06601	0.5
367.04370	0.7
369.06110	36.7
370.06519	3.0
371.07669	0.8
381.06107	5.1
383.07593	1.0
393.06039	0.7
395.07733	0.5
397.05750	0.5
399.07178	27.5
400.07446	2.0
411.07129	4.3
412.07465	0.4
413.08923	0.6
423.07108	0.4
425.08682	0.5
426.84760	0.3
429.08188	6.9
431.09818	0.6
441.08344	1.9
447.09277	12.6
448.09735	0.9
453.08282	0.6
455.10034	0.6
459.09686	0.5
471.09338	1.9
473.10776	2.2
485.10822	0.3
489.10406	6.3
501.10144	0.3
503.11993	1.6
505.10056	0.4
506.10312	0.4
519.11389	1.2
575.14105	1.0
591.13983	0.4
592.13776	0.5
593.15082	100.0
594.15393	10.4
625.59558	0.3
648.43176	0.3
698.77155	0.3
847.37128	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1037.3874
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02824	0.2
76.56833	0.1
77.03854	0.2
79.01808	0.2
82.03258	0.1
83.01254	0.3
85.02822	0.4
97.02845	0.2
99.12406	0.1
101.02299	0.3
105.03356	0.2
109.02844	0.7
112.48690	0.1
119.04932	0.2
121.02816	0.3
125.02342	0.4
131.01268	0.4
132.02052	0.2
133.02849	6.5
134.03569	0.4
134.07999	0.1
135.04427	0.3
137.02385	0.2
145.02881	0.2
147.04419	0.5
149.02354	0.7
151.00284	0.2
151.03842	0.2
161.02420	0.6
163.00304	0.8
163.03915	1.1
165.01830	0.8
168.28630	0.1
173.02347	0.8
175.00282	2.3
175.03915	1.2
177.01857	0.4
179.03421	0.3
189.01959	0.1
191.03418	0.9
193.01350	0.8
197.05969	0.2
199.03935	0.6
201.01910	0.8
203.03371	0.2
209.06064	0.2
211.03880	0.2
213.05525	0.5
217.04997	0.4
225.05518	0.5
227.03448	0.3
227.07062	0.2
229.01375	0.2
229.05099	0.2
230.01949	0.1
231.06541	0.1
237.05588	0.5
238.02733	0.1
238.28259	0.2
239.03439	0.3
240.04340	0.3
241.04958	0.6
242.02234	0.1
243.02934	0.2
251.03392	0.2
253.05083	0.8
255.03015	0.5
255.06557	0.3
264.04224	0.2
265.05087	1.0
267.02982	1.4
267.06567	0.6
269.04596	1.1
270.05435	0.3
271.06107	0.2
281.04587	0.7
283.06271	0.2
284.03241	4.5
285.04034	4.0
286.04224	0.3
291.02982	0.3
293.04733	0.2
295.06073	0.9
297.04044	9.3
298.04800	7.3
299.05603	8.9
299.08237	0.1
299.09262	0.2
300.06079	0.6
309.04047	30.2
310.04346	1.8
311.05588	1.9
312.05957	0.1
323.05646	0.2
324.02908	0.3
325.03586	0.3
325.07071	0.2
326.04230	0.4
327.05087	48.5
328.05466	2.8
339.05087	2.3
341.06705	0.5
351.05035	0.4
353.06686	0.2
357.06155	17.0
358.06454	0.9
369.06070	1.1
373.22104	0.3
377.06717	0.7
395.07486	0.6
411.07294	0.1
413.08777	10.7
414.08957	0.9
415.10452	1.8
415.23453	0.2
433.11249	0.4
473.10928	6.9
474.11053	0.5
545.12842	0.5
575.14020	0.2
576.14124	0.3
577.15594	100.0
578.15961	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	1035.3713
Annotation	Unknow
Peak:m/z	Relative Intensity
72.01592	0.8
72.99200	3.7
73.02818	63.4
74.03159	1.2
75.00747	1.3
75.44471	0.7
78.19259	0.8
81.03309	1.1
83.01254	24.7
83.82207	0.7
84.00655	0.8
85.02823	12.0
87.00750	5.5
87.04388	1.4
89.02314	22.2
95.01257	2.8
97.02830	1.9
101.02322	100.0
102.02636	1.8
103.03893	9.1
109.01922	0.7
109.02853	0.8
113.02329	29.5
115.03882	1.6
117.19955	0.7
119.03385	14.0
123.00793	0.7
125.02342	5.4
127.03928	1.4
131.03406	12.8
134.88120	0.7
143.03404	13.6
145.04974	3.1
149.04456	17.7
155.03418	2.3
161.04463	25.8
163.06026	54.7
164.06328	1.2
203.05516	3.6
205.07100	9.9
221.06578	10.3
235.07666	0.8
252.07957	0.9
263.07141	2.7
265.09225	4.5
281.08170	5.9
291.06635	1.7
293.08240	1.6
294.08878	1.1
295.09830	0.9
296.10672	1.4
307.09998	0.9
308.10672	1.2
309.07663	20.5
310.08023	2.5
323.09329	3.7
324.09985	12.5
325.10495	1.1
339.12360	20.7
340.12543	1.4
378.75635	0.7
399.11963	0.9
477.20535	0.8
552.07428	0.8
583.91058	0.8
1066.52063	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1027.3452
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01254	27.4
71.50828	2.1
73.02818	25.1
83.01252	11.7
85.02813	3.6
85.72305	1.2
89.02317	5.4
95.01291	1.3
96.95844	2.2
101.02325	29.3
110.11877	1.1
113.02328	12.2
119.03388	2.2
121.02879	2.6
122.03596	5.0
125.02335	2.0
131.03366	4.5
136.01595	1.9
143.03391	2.4
149.02399	7.1
149.04463	3.2
150.03136	21.3
160.01559	1.5
161.04489	6.8
165.04128	1.8
165.05493	23.6
170.22533	1.1
179.07031	1.2
180.04231	1.3
195.06558	18.3
208.01276	1.0
213.70325	1.2
216.57722	1.1
240.07903	2.1
252.08026	1.3
268.07434	4.5
280.07443	1.9
283.09772	2.6
296.06790	4.3
307.05984	1.9
308.06866	2.7
309.07706	2.6
311.09149	14.1
322.08456	3.1
323.09180	6.4
324.06372	2.2
324.09924	2.6
338.11520	1.9
339.04614	2.4
339.08701	39.9
339.12720	2.5
340.09180	4.5
343.11777	3.6
354.11038	22.2
355.11658	4.4
369.13416	100.0
370.13742	9.7
391.13895	2.4
517.18390	4.5
713.26099	10.1
714.25775	1.4
787.28314	2.1
881.52441	1.2
952.91791	1.3
983.34821	2.4
1046.21399	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	1027.3452
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01250	25.7
72.99184	1.2
73.02821	22.9
83.01254	11.4
84.63941	1.0
85.02825	3.6
87.00731	1.2
89.02323	6.5
93.03305	1.1
95.01273	2.4
96.95898	1.4
97.02835	1.3
100.85239	1.0
101.02325	28.1
110.66013	0.8
111.33843	0.8
113.02333	12.7
116.04255	0.9
118.17941	0.8
119.03362	3.4
121.02861	2.1
122.03580	3.8
125.02321	1.1
131.03391	3.2
136.01558	2.2
143.03354	2.6
149.02368	9.7
149.04442	3.9
150.03119	22.1
150.04324	1.2
151.03775	0.9
160.01581	1.5
161.04439	7.0
164.04729	2.8
165.05475	23.5
166.05850	1.5
175.29445	1.0
177.05470	1.3
179.07089	1.2
195.06567	18.3
205.90720	1.0
221.06564	2.0
231.36899	1.0
255.10139	1.0
267.06415	1.1
268.07330	3.4
278.05853	1.4
279.06638	1.1
280.07379	2.2
283.09787	2.8
296.06924	5.1
308.06918	3.4
309.07559	3.8
311.09195	10.8
312.09598	1.0
313.11267	0.9
322.08432	2.4
323.09128	6.4
324.06329	3.3
324.09879	2.2
325.06940	1.1
338.11572	2.5
339.08701	41.2
340.09045	4.9
343.11905	4.8
354.11044	22.9
355.11557	3.5
369.13394	100.0
370.13675	11.7
391.13919	3.0
517.18555	2.2
713.26056	9.8
714.26324	2.2
787.29150	1.4
833.78778	1.1
983.35577	1.5
988.30634	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1025.3864
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01246	5.2
72.99162	0.9
73.02825	0.9
82.11888	0.3
83.01242	0.6
85.02824	1.6
87.00735	1.8
89.02309	3.3
95.01253	0.5
96.95869	0.3
97.02840	0.4
97.06452	0.3
99.00749	0.3
101.02319	5.1
111.08009	0.6
113.02335	2.4
113.39324	0.3
115.00266	1.8
119.03368	1.1
125.02287	0.4
143.03395	0.6
155.50244	0.3
161.04448	1.7
165.05559	0.3
165.12750	8.6
165.14130	0.5
166.13100	0.5
171.10172	0.4
175.02376	3.0
179.05510	0.8
183.13817	83.9
184.14156	3.9
198.17569	0.3
200.15762	0.2
209.11792	1.3
226.27101	0.3
227.12817	5.7
228.13220	0.4
235.08232	0.7
253.05147	0.4
253.09225	5.7
287.09280	0.3
293.04596	0.8
331.38718	0.3
343.17572	0.4
361.18747	0.3
397.09100	0.6
445.20795	0.4
463.21820	100.0
464.22147	8.8
561.15967	0.9
789.35315	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1025.2566
Annotation	Unknow
Peak:m/z	Relative Intensity
71.03778	1.7
71.04120	1.0
72.86324	0.9
117.03393	1.0
133.02847	3.0
151.00304	2.2
175.02478	0.9
175.03886	1.6
217.05098	1.3
241.05206	1.1
269.04517	1.1
281.04507	1.5
282.05222	2.0
283.06070	7.6
284.03299	9.8
284.06378	1.9
285.04050	81.3
286.04462	5.9
295.06348	1.1
297.04120	3.4
298.04819	2.0
299.05588	1.7
311.05585	11.9
312.05981	1.7
313.03543	1.2
323.05588	1.2
327.05054	9.1
341.06607	4.1
357.06232	3.9
380.91956	1.1
431.09741	16.8
432.10159	2.3
445.07547	1.1
447.09354	11.8
492.06738	1.3
563.13330	1.8
593.15118	100.0
594.15289	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	1021.2833
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01226	0.6
76.18583	0.5
98.20613	0.5
101.02280	0.6
109.02822	1.4
109.91384	0.6
112.11038	0.5
133.02838	5.0
134.03627	0.7
135.04462	0.6
149.02393	0.9
163.03931	0.6
175.03905	1.5
177.01834	1.4
177.05472	0.9
187.45154	0.5
191.03352	1.0
201.01865	0.6
203.03397	0.8
205.01338	0.6
205.05026	0.7
216.23213	0.5
217.05054	0.6
225.61754	0.6
233.04485	0.7
261.64728	0.5
267.06598	1.0
269.04639	0.9
283.06381	0.7
297.03998	1.6
298.04895	6.4
299.05487	2.6
311.05603	4.3
312.06409	5.3
313.03882	0.9
313.07156	6.2
323.05569	1.2
325.03427	0.7
325.07034	0.8
327.05115	4.3
339.05078	8.3
340.05548	0.8
341.06708	3.6
344.04886	0.6
351.05090	0.6
353.06592	2.1
357.06219	1.6
361.94043	0.6
367.04449	0.8
369.06137	37.9
370.06622	2.3
371.07669	0.6
381.06223	3.9
383.07562	0.7
399.07220	29.8
400.07434	2.5
411.07312	3.3
413.08673	0.8
429.08200	5.4
441.08340	2.3
442.09024	0.7
471.09238	1.7
473.10742	2.3
485.11237	0.8
489.10468	6.4
503.11627	1.9
519.03870	0.7
519.11432	1.0
531.93457	0.5
575.13971	1.3
593.15094	100.0
594.15417	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	1018.2473
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01261	0.8
72.71058	0.4
78.95761	0.5
86.12704	0.4
89.48903	0.4
89.63370	0.4
96.96833	0.4
98.20539	0.9
109.02843	2.3
133.02843	7.6
134.03575	0.9
135.04456	1.1
147.04369	0.6
149.02348	1.0
151.03883	1.3
161.02446	0.7
161.06042	0.5
163.03935	0.8
165.01837	0.6
175.03879	2.2
177.01816	1.7
179.03500	1.2
187.03938	0.5
189.01912	0.9
191.03413	1.6
199.04076	0.5
201.01840	1.4
203.03433	2.5
205.01347	0.8
205.05049	0.6
213.05443	0.9
219.02975	0.7
227.03479	0.5
231.03049	1.1
233.04401	0.5
237.03954	0.5
239.07010	0.6
241.04955	0.6
243.02960	0.4
249.03777	0.5
252.10161	0.6
253.05089	0.6
255.02849	0.5
261.03888	0.7
265.04990	1.4
266.05707	0.6
267.06604	1.2
269.04544	0.8
283.06210	2.1
285.04065	1.2
293.04544	1.2
295.06104	0.7
297.04047	3.6
298.04791	6.5
299.05576	5.1
309.04114	1.7
310.04776	1.4
311.05579	7.5
312.06375	6.1
313.07150	7.9
314.07495	0.7
321.04007	0.5
323.05563	1.6
325.03528	0.9
325.07162	1.2
327.05109	7.2
328.05606	0.7
337.03476	0.7
338.04303	1.3
339.05096	13.9
340.05481	1.2
341.06601	6.3
342.07028	0.7
344.05341	0.9
351.05011	1.7
353.06546	3.2
355.04660	2.0
357.06201	1.9
367.00156	0.4
367.04529	9.1
368.04800	0.6
369.06137	28.3
370.06561	2.0
371.07571	1.5
379.04401	0.6
381.06067	2.7
383.07785	0.8
385.05637	19.8
386.06030	1.4
397.05652	5.8
398.06113	0.6
399.07208	14.3
400.07300	1.4
409.05499	0.6
411.07272	2.1
415.06696	18.0
416.07092	1.2
427.06781	2.1
429.08173	1.2
441.08173	1.1
452.06763	0.5
457.07611	0.6
459.09109	0.6
469.07755	1.2
471.09296	2.0
487.09024	4.5
488.09369	0.6
489.10410	15.5
490.10748	1.1
505.09875	80.5
506.10245	8.0
573.12390	0.9
591.13544	100.0
592.13879	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	1013.3655
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01252	36.5
71.50117	0.7
72.99201	2.0
73.02817	34.7
74.03140	0.5
75.00758	1.0
75.16338	0.5
81.03378	0.7
83.01260	15.8
85.02821	5.4
87.00745	3.9
89.02319	5.2
93.03336	5.1
95.01241	2.1
95.04919	0.8
97.02848	0.9
99.00778	0.8
101.02321	37.0
102.02656	0.8
105.03351	0.6
108.02059	2.0
109.02831	2.6
113.02330	13.7
115.00253	1.2
116.92740	0.5
117.03336	1.8
119.03394	4.2
119.04895	0.7
121.02846	7.0
122.03632	16.6
123.00774	1.4
123.04469	2.2
124.01556	1.2
125.02338	2.8
131.03415	3.6
132.02075	0.9
133.02824	3.2
134.03653	1.9
135.04422	1.9
136.01566	22.6
137.02359	7.5
138.03105	0.8
143.03394	4.3
145.02850	10.2
146.03639	8.1
147.04430	2.2
148.01506	0.5
149.02350	31.1
149.04445	6.1
149.05989	1.5
150.03128	100.0
151.00296	6.7
151.03917	47.6
151.05197	0.6
152.01060	1.2
152.04543	1.6
153.01813	1.8
153.05447	0.6
155.03423	1.0
159.04398	1.3
160.05235	0.9
161.02382	7.0
161.04475	11.2
161.05988	4.7
162.03133	60.8
163.03694	2.7
164.04700	6.8
165.05478	88.8
166.02632	16.0
166.05740	3.0
167.03325	2.1
173.02367	0.5
175.02386	1.8
175.03947	1.9
176.01166	0.7
176.02835	0.4
176.04733	0.7
177.02133	2.2
177.05490	38.0
178.02730	1.0
178.05946	0.7
179.03465	1.0
179.05528	1.2
179.07062	4.9
179.77194	0.5
180.04204	6.8
181.04979	19.2
184.03755	0.9
187.03883	1.2
189.01834	1.0
190.02725	1.0
190.06235	0.7
191.03481	1.5
191.07034	0.5
192.04204	1.7
193.04961	1.2
195.06552	51.4
196.06917	1.3
203.03400	0.9
203.05557	2.0
204.04202	0.7
205.05003	4.0
206.05792	0.7
207.06554	2.6
219.06609	3.6
220.07446	2.1
221.06514	3.4
225.07660	0.7
237.07507	0.6
282.05374	0.7
315.08737	1.0
329.10236	1.4
339.10767	1.8
353.10175	0.5
354.10999	0.7
355.11810	0.6
357.12100	1.3
369.12955	0.7
371.11243	0.7
372.12115	0.6
373.12799	0.7
387.10715	1.9
387.14972	3.1
399.13031	1.7
401.12277	0.7
402.13171	2.3
403.13788	0.9
416.14688	1.7
417.15506	14.2
418.15842	0.9
421.14819	0.7
429.15445	0.7
471.16623	0.5
535.16479	1.6
549.17944	0.9
550.18158	1.0
563.19128	3.4
564.20074	2.2
565.20715	24.2
566.20880	2.1
577.20685	9.9
578.20911	1.2
595.21588	2.8
613.22894	10.9
614.23523	1.2
619.21771	1.2
650.94220	0.5
667.23840	1.3
713.25867	1.4
725.25995	29.2
726.26282	3.8
743.26837	1.3
755.26776	1.3
761.27954	4.7
762.28290	1.3
773.28119	12.5
774.27966	1.5
791.28998	1.4
809.30066	8.4
810.30292	1.0
905.31531	1.0
923.33319	1.0
965.34631	4.1
966.35345	1.0
995.35736	0.8
1013.36304	4.1
1014.37775	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1013.366
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01252	45.2
72.99185	1.7
73.02817	42.4
75.00739	1.2
81.03342	0.6
83.01254	18.3
84.58960	0.4
85.02814	6.7
87.00744	3.9
88.98695	0.5
89.02306	6.1
93.03335	5.1
95.01263	3.2
95.04916	0.8
97.02824	1.2
99.00764	1.4
101.02320	46.9
101.87428	0.4
102.02677	0.5
105.03352	0.7
107.04899	0.5
108.02061	2.1
109.02833	2.7
111.00774	0.5
113.02327	18.0
115.00249	1.3
116.92731	0.5
117.03349	1.5
119.03380	4.7
119.04881	0.8
121.02839	9.3
122.03625	15.7
123.00740	2.2
123.04462	2.1
124.01552	1.0
125.02341	2.5
131.03403	4.7
132.02039	0.7
133.02849	4.3
134.03622	2.7
135.04379	1.6
136.01555	25.9
137.02339	8.7
138.03145	0.5
139.00317	0.4
139.03938	0.8
143.03397	4.7
145.02847	12.2
146.03632	10.1
147.04405	2.5
148.01538	0.6
149.02350	30.1
149.04446	7.2
149.05971	1.6
150.03127	100.0
151.00307	5.8
151.03914	57.1
152.01056	0.7
152.04393	2.2
153.01851	2.1
153.05429	0.7
155.03400	1.2
159.04431	0.7
160.05203	1.6
161.02379	7.9
161.04472	13.9
161.05992	6.3
162.03131	65.7
163.03700	2.6
164.04700	6.3
165.05475	89.7
166.02615	17.7
166.05792	3.1
167.03342	2.0
168.04169	0.7
175.02367	1.8
175.03947	1.9
175.07614	0.5
176.01083	1.2
176.04749	0.7
177.01837	1.9
177.05479	43.8
178.02605	1.2
178.05846	1.5
179.03418	1.7
179.05496	1.2
179.07082	4.4
180.04195	8.3
181.04970	22.2
182.05193	0.7
187.03992	1.5
190.06288	1.1
191.03456	2.1
191.07028	0.7
192.04211	3.1
193.04979	2.1
195.06548	52.2
196.06894	2.1
203.03580	0.8
203.05528	2.7
204.04254	1.1
205.04990	4.0
205.08682	0.7
206.05740	1.0
207.06561	2.5
219.06548	3.4
220.07353	3.3
221.06485	3.4
225.07518	0.6
233.08163	0.6
235.09706	0.6
249.07584	0.6
258.02731	0.4
282.05322	0.8
306.07785	0.8
314.08099	0.4
315.08731	1.4
329.10181	1.0
339.10837	3.0
341.10703	0.7
354.10944	0.6
357.11835	1.4
359.11050	0.6
369.13715	0.6
371.11234	1.6
372.12119	0.9
373.12720	0.6
386.13721	0.6
387.10013	2.5
387.15125	3.6
388.11166	0.5
399.13144	2.7
401.12082	0.4
402.13278	2.0
403.13916	1.1
416.14771	1.8
417.15518	16.0
418.15836	0.8
520.17212	0.7
525.78241	0.4
531.18427	0.5
535.16400	2.2
549.17706	1.7
550.18030	1.3
563.19409	3.6
564.19812	2.6
565.20728	28.1
566.21039	2.7
577.20770	14.5
578.21362	1.6
595.21875	2.1
612.22278	0.9
613.22919	13.1
614.22687	1.4
619.21613	1.0
667.24084	1.5
713.26208	1.0
725.25922	31.1
726.26166	5.4
743.27643	1.0
755.27234	2.4
756.26941	0.5
761.28259	3.3
773.27972	18.3
774.29150	2.8
788.26196	0.5
791.29303	1.3
809.30249	6.2
810.30493	1.2
817.29730	1.2
905.32361	1.2
923.33820	0.5
935.32721	0.6
947.33368	0.5
953.34302	0.8
965.34442	4.5
966.33765	1.2
971.34991	1.1
995.35815	1.2
1013.36151	5.6
1014.37708	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	1011.2408
Annotation	Unknow
Peak:m/z	Relative Intensity
74.48394	0.6
93.03335	0.8
117.03334	2.7
133.02792	1.6
135.04456	1.6
149.02324	1.1
161.02304	1.5
175.03905	1.6
177.01903	0.8
191.03358	1.1
203.03391	0.8
237.13545	0.7
282.05322	2.0
283.06070	2.1
284.03058	0.8
285.04034	2.6
295.06039	3.5
296.06879	2.2
297.04050	2.8
297.07672	11.2
298.04730	2.5
299.05533	1.3
307.06073	1.2
309.07718	1.0
311.05600	3.3
323.05594	2.0
325.07166	4.7
327.05060	7.3
328.05646	2.8
337.07114	1.7
341.06668	0.9
353.06628	28.3
354.06982	1.8
355.07898	0.8
357.06104	6.7
365.06674	2.9
383.07693	17.6
384.07990	1.3
395.07806	2.2
413.08679	2.8
425.08533	1.9
443.09769	6.6
444.10193	1.0
447.09204	12.7
448.09836	1.9
455.09735	1.1
472.88126	0.9
473.10794	5.3
474.10712	0.7
503.12457	1.0
563.14038	100.0
564.14423	11.9
765.34497	0.7
967.41986	0.8
983.33728	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1011.2403
Annotation	Unknow
Peak:m/z	Relative Intensity
70.56661	0.3
71.01231	0.3
71.50171	0.3
93.03344	0.6
96.13151	0.2
109.02767	0.3
115.95856	0.2
117.03331	1.8
119.04885	0.5
121.02850	0.3
133.02829	0.9
134.48973	0.3
135.04430	0.8
149.02292	0.6
154.51614	0.2
159.04495	0.2
161.02289	0.6
163.00256	0.4
163.03911	0.7
173.05939	0.3
175.03893	0.9
177.01851	0.4
177.05449	0.4
179.03401	0.3
189.01805	0.3
191.03394	0.8
203.03400	0.8
205.04962	0.3
207.23346	0.2
241.77681	0.3
253.05043	0.4
267.06531	0.3
268.07364	0.3
269.04410	0.3
281.04575	0.5
282.05240	1.1
283.06061	1.3
284.03168	0.5
285.03976	1.6
293.08215	0.4
295.06046	2.0
296.06815	1.0
297.04095	1.6
297.07605	8.2
298.04736	1.1
298.08029	0.6
299.05518	1.2
307.06039	0.9
309.07693	1.1
311.05554	2.0
321.07758	0.3
323.05612	2.2
324.06155	0.6
325.07169	3.6
327.05075	5.7
327.08978	0.3
328.05783	2.0
335.05679	0.7
337.07156	1.4
339.05035	0.7
353.06631	19.9
354.06940	1.4
355.08194	0.5
356.05231	0.3
357.06094	4.2
358.06458	0.4
365.06671	2.2
381.06018	0.3
383.07706	12.9
384.07996	1.3
395.07687	1.6
397.08890	0.4
407.07959	0.3
413.08835	2.1
425.08728	0.8
429.08286	0.7
443.09830	6.2
444.10318	0.4
447.09280	12.3
448.09634	0.9
455.09955	0.6
473.10925	4.6
474.11227	0.3
503.11728	0.3
545.13416	0.4
563.14026	100.0
564.14343	10.0
887.35046	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1009.2621
Annotation	Unknow
Peak:m/z	Relative Intensity
71.20573	1.4
72.08491	0.5
74.87534	0.6
75.15584	0.6
77.03835	1.1
79.01750	0.9
93.03314	1.6
117.03333	7.0
119.04881	0.9
121.02837	1.3
135.04381	1.7
149.02332	1.9
149.03618	0.5
159.04427	1.4
161.02356	3.1
163.00282	0.8
163.03857	1.1
165.01862	1.5
177.01852	1.6
178.99817	1.4
183.04326	1.7
186.23738	0.6
197.05920	0.8
209.06013	0.8
210.06839	0.6
224.04666	0.9
237.05597	0.9
239.07053	2.0
253.05052	1.4
268.03708	2.4
269.04514	7.7
270.04916	0.9
279.06540	0.9
281.04529	10.4
282.05350	11.0
283.06113	50.6
284.06473	3.5
293.04541	1.1
295.02463	1.8
295.06073	6.7
297.04044	20.8
298.04456	1.5
308.03360	1.1
309.03952	2.0
310.04898	0.9
311.05603	97.0
312.05984	6.2
314.04288	2.6
323.05634	9.3
325.07233	1.0
339.05063	0.6
341.06659	33.1
342.07031	3.0
353.06659	3.2
383.07666	0.9
413.08762	1.8
415.10425	5.1
431.09818	100.0
432.10278	7.6
473.11267	1.3
547.41675	0.7
577.15601	59.1
578.15985	5.5
591.13513	0.6
715.11713	0.6
779.54315	0.8
780.98419	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1009.2622
Annotation	Unknow
Peak:m/z	Relative Intensity
70.90392	0.4
71.01271	0.6
79.01778	0.3
83.01237	0.4
97.02828	0.3
105.03343	0.3
107.01286	0.5
109.02854	1.3
119.04884	0.3
121.02852	0.7
125.02325	0.7
132.02055	0.4
133.02841	8.8
134.03662	1.2
135.00752	0.5
135.04424	0.7
136.01575	0.3
137.02361	0.7
147.04401	0.6
149.02371	1.1
151.00281	0.9
151.03987	0.5
161.02365	2.2
163.00281	2.9
163.03897	1.7
164.00908	0.2
165.01843	2.0
165.11592	0.2
165.96022	0.2
173.02386	0.3
175.00322	0.3
175.02472	0.3
175.03896	2.3
177.01854	1.0
179.03409	0.6
181.04968	0.3
182.33176	0.2
185.02359	0.3
187.03947	0.2
189.01840	0.5
189.05565	0.3
191.03439	0.8
193.01373	0.9
195.06566	0.3
197.06026	0.2
198.03145	0.3
199.03978	1.4
201.01849	1.5
202.02643	0.2
203.03494	0.6
205.01308	0.3
209.06070	0.3
211.03949	0.6
211.07608	0.3
212.04761	0.2
213.05544	0.5
215.03499	0.3
217.05028	0.4
224.04597	0.4
225.05612	1.3
226.06175	0.3
227.03363	1.0
227.07050	0.3
229.01323	0.4
229.04984	0.5
231.06644	0.3
237.05464	0.3
239.03452	0.3
240.04257	0.6
241.05003	1.2
243.02879	0.5
251.03522	0.2
253.04985	1.3
254.05730	0.5
255.02940	1.2
255.06613	0.3
256.03625	0.4
267.02881	0.4
267.06860	0.4
269.04584	2.6
270.05185	1.0
271.06158	0.2
281.04581	0.8
282.05408	0.5
283.06052	0.4
284.03247	6.1
284.06165	0.4
285.04028	15.1
286.04358	1.1
293.04617	0.3
297.04037	25.4
298.04803	39.6
299.05499	11.7
300.05945	0.4
309.04037	5.5
310.04532	0.6
311.05603	6.7
312.06116	0.6
313.03540	0.4
314.04108	0.5
323.05896	0.4
324.02777	1.5
324.06128	0.3
325.03586	2.4
325.07007	0.4
326.04190	1.9
327.05087	53.5
328.05484	3.4
330.03818	2.8
337.03256	0.5
338.04172	0.5
339.05057	7.6
340.05496	0.6
341.06668	2.2
351.05069	0.7
353.03134	1.6
353.06839	0.8
355.04459	0.3
357.06140	45.2
358.06497	3.0
367.08261	0.5
369.06094	2.6
377.06619	1.0
385.05621	0.7
387.07236	0.8
395.07751	3.1
413.08740	8.7
414.09271	0.5
415.10364	0.7
417.15796	0.3
429.08658	0.3
430.08688	0.4
431.09805	100.0
432.10168	9.0
473.10867	8.5
473.17566	0.5
474.11340	1.0
475.08618	0.3
499.75101	0.3
577.15594	55.6
578.15997	6.5
643.24078	0.6
705.52942	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1005.5323
Annotation	Unknow
Peak:m/z	Relative Intensity
69.69299	2.3
78.95772	35.0
96.96840	7.2
98.20517	0.7
101.53606	0.4
104.90490	0.4
150.03113	0.6
150.97911	0.7
152.99484	38.7
165.05533	0.6
171.00514	0.8
192.94650	0.4
195.06421	0.6
196.89407	0.7
223.00015	1.9
241.01138	20.8
242.01558	0.4
255.23248	48.9
256.23593	3.1
259.02258	0.7
286.84232	0.4
315.04846	6.2
354.39661	0.4
391.22516	1.4
407.80856	0.4
571.28845	100.0
572.29120	10.9
942.87860	0.5
978.26636	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1004.3034
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01250	27.9
73.02402	1.6
73.02816	28.1
83.01260	7.9
83.18920	1.1
85.02825	9.2
89.02309	3.0
93.03336	1.9
97.02811	3.7
98.19901	5.2
98.20580	2.4
99.00740	1.3
101.02324	32.4
105.54930	1.3
113.02328	14.2
119.03391	2.9
119.04926	2.0
121.02847	3.6
122.03651	6.5
131.03339	2.6
133.02826	2.1
135.04428	2.8
136.01541	1.6
143.03407	2.8
144.04480	1.8
145.02890	1.8
146.03589	2.4
147.04413	35.2
148.01489	1.1
148.04703	1.2
149.01237	2.4
149.02339	31.2
149.04311	6.4
150.03122	54.8
151.03807	1.3
157.05229	1.4
158.06017	5.0
158.49852	1.2
161.04494	15.9
161.05884	2.5
162.03149	5.7
162.08176	1.2
163.03755	1.3
164.04689	17.7
165.05476	83.7
166.05818	1.9
177.05498	6.3
179.07028	5.6
180.04201	4.4
189.05479	2.8
195.06548	28.2
197.84259	1.3
203.05562	2.1
221.06592	6.4
224.04802	1.2
276.08768	10.3
283.09784	3.0
312.09940	20.0
313.10327	1.6
327.12350	93.2
328.12842	6.0
336.10815	6.3
375.14609	2.2
471.16162	6.1
472.17010	1.5
507.92535	1.4
519.18524	3.9
531.18567	15.2
537.19562	5.5
561.19830	1.6
579.20770	100.0
580.20935	8.5
701.70978	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	1001.3884
Annotation	Unknow
Peak:m/z	Relative Intensity
69.64382	7.7
71.01254	13.8
72.99173	1.1
73.02798	1.2
83.01234	1.7
85.02817	3.3
87.00739	1.3
88.20877	1.1
89.02309	8.3
94.02855	2.2
96.04427	1.8
98.19900	2.2
101.02341	8.6
104.04874	1.2
106.06510	5.2
108.04411	1.5
113.02308	5.9
115.84725	1.0
119.03394	3.2
119.36024	1.1
120.08076	6.6
122.05995	3.5
125.02264	1.6
129.51587	1.1
132.04399	1.6
133.40742	1.0
134.06017	22.3
138.05513	3.6
150.05547	1.6
152.07100	6.8
158.02342	1.3
161.04503	1.3
174.05362	1.2
190.05019	3.7
200.39336	1.2
213.10304	1.2
215.11752	1.2
219.08904	1.8
223.08704	2.4
225.10345	1.7
236.09308	1.3
237.10254	3.3
238.11089	1.4
239.11823	4.3
249.06717	1.7
249.10303	2.1
251.08112	2.1
251.11809	4.8
253.13387	1.7
263.08249	5.4
263.11932	1.4
264.09052	8.3
265.09927	6.7
265.12299	1.3
276.08929	2.2
277.09769	5.2
278.10541	3.3
279.11356	19.3
280.11972	5.4
281.12970	4.0
285.12363	1.9
289.16458	1.1
291.11414	6.6
292.12033	3.2
293.12915	2.4
305.09253	2.3
307.10959	2.4
314.12576	2.1
324.11209	4.2
324.71484	1.1
325.11862	2.1
326.12479	1.4
334.15475	1.1
337.11716	2.1
343.26563	1.2
358.15359	1.5
362.14560	1.3
369.05875	1.1
369.14398	1.2
370.15695	1.8
372.17627	1.1
376.16330	1.7
384.17130	3.0
388.16510	1.6
398.14774	1.6
399.19440	1.4
402.14517	1.5
412.16309	2.0
418.21436	1.8
420.15921	1.9
426.18420	2.0
443.17993	1.3
444.19315	2.5
445.20355	1.3
459.18027	1.5
462.20169	3.9
471.17810	2.2
472.18582	4.0
473.19440	3.5
488.18613	1.5
490.19852	6.9
491.11844	1.9
504.20847	1.3
505.23233	1.1
532.20685	1.3
549.21332	1.3
563.13965	1.8
606.24475	2.2
610.23694	2.3
623.24817	1.8
633.23218	1.3
650.23431	4.5
651.24182	7.2
682.26172	6.7
683.26666	2.4
719.28674	2.0
747.28888	50.2
748.28748	5.1
771.29095	5.0
779.31439	100.0
780.31653	16.0
803.30865	1.8
951.35254	7.9
969.36224	77.8
970.36523	18.4
983.37817	9.1
984.37848	2.0
1001.38794	40.9
1001.59796	2.2
1002.39258	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	997.6236
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07063	1.1
71.06991	0.4
71.07364	5.5
71.76082	0.5
78.37570	0.3
79.05476	0.7
81.07042	2.2
86.09695	48.0
87.10054	0.4
93.07037	0.7
95.08607	1.6
98.98453	3.1
104.10730	95.6
105.07047	0.4
105.11073	0.6
109.10163	0.3
119.08537	0.3
121.10088	0.5
124.99986	26.2
129.92685	0.3
133.10181	0.4
163.01563	0.6
181.02452	0.4
184.07324	100.0
185.07674	0.8
219.39900	0.3
258.11041	0.9
337.27335	1.1
356.36938	0.3
443.25323	0.5
502.25446	0.6
502.32858	9.5
502.39963	0.7
502.53128	0.4
520.33954	86.4
521.34387	3.6
763.02142	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	997.6241
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07050	0.2
69.51927	1.0
70.06551	0.1
71.07364	2.0
79.05486	0.2
81.07053	0.3
86.09695	26.5
87.10030	0.2
95.08625	0.2
98.98454	2.3
104.10731	2.5
119.08539	0.1
124.99989	18.7
132.15852	0.1
143.01018	0.3
184.07324	100.0
185.07721	0.8
194.57181	0.1
212.22145	0.1
310.70786	0.1
337.27316	0.2
499.72739	0.1
502.32877	1.9
520.33966	18.1
521.34509	0.8
694.23737	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	956.6295
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05502	90.1
69.03407	3.3
69.07069	26.7
69.20680	2.5
71.04981	4.3
71.75328	3.6
73.02928	5.2
79.05489	41.1
81.07051	100.0
81.07538	4.8
83.08611	17.5
85.02892	23.1
91.03967	17.0
91.05468	23.7
93.06493	5.0
93.07036	50.2
95.04961	8.2
95.08601	76.1
97.02894	12.3
97.06550	5.7
97.10152	13.1
105.07021	24.4
107.08596	31.0
108.10258	3.0
109.06507	3.3
109.10152	30.0
111.08091	3.5
117.07010	7.1
119.08555	19.8
121.10134	36.9
123.11716	13.0
127.03902	6.1
131.08582	15.9
133.10130	24.2
135.11685	19.2
137.13243	3.9
145.04968	10.1
145.10120	13.3
147.11716	14.4
149.13263	10.1
151.14700	3.7
159.11676	9.1
161.13235	8.5
163.06017	12.5
163.14848	9.0
173.13300	9.5
175.14848	6.2
177.16365	3.1
182.34479	3.4
187.14757	5.8
189.16516	3.4
243.21045	9.3
259.20517	4.9
261.22162	22.5
263.23816	5.2
307.00262	2.7
308.07208	2.8
331.31253	3.0
333.24329	5.3
335.25775	70.8
337.27350	92.0
339.28867	8.2
523.45605	3.2
523.53711	3.0
597.48804	35.5
615.49622	40.6
975.09119	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	955.5067
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05471	0.5
68.05038	0.3
69.03416	0.4
69.07092	0.3
69.66067	2.0
70.06583	97.2
71.06929	0.5
72.08149	3.0
79.05475	0.6
81.03398	0.4
81.07050	0.4
83.06076	0.7
84.04490	9.2
84.08135	0.3
85.02919	0.4
86.09695	13.8
91.05492	0.7
95.04985	0.3
95.08624	0.3
97.02883	0.3
98.06041	9.6
101.07131	4.9
103.05476	0.3
105.07037	0.8
110.07131	0.3
112.03920	0.5
114.09077	0.3
115.05460	0.3
115.08707	0.4
116.07105	0.5
117.03716	0.8
118.06861	79.7
120.08095	0.4
121.71725	0.3
123.04372	0.3
125.07137	0.4
126.05499	7.4
127.08665	0.9
129.06558	3.2
130.06512	5.2
131.04898	0.7
132.08090	1.6
133.06410	0.3
136.07507	0.4
137.05962	1.8
138.09131	1.4
142.06479	0.3
144.08078	0.7
147.04309	0.3
151.03842	0.3
151.12332	0.3
153.05414	0.3
153.60725	0.2
155.11784	0.5
157.06067	2.1
159.09152	8.1
163.07635	0.6
163.08974	10.8
165.10252	0.3
166.54704	0.3
167.06987	1.5
167.11780	2.0
169.07701	0.3
170.06029	2.5
174.05820	1.1
178.04987	0.6
181.04935	0.8
181.09784	0.4
182.08315	0.3
182.12904	1.0
183.11383	2.2
183.14902	20.3
184.15300	0.4
185.07187	0.3
191.06963	0.3
195.11307	2.9
200.13916	2.1
203.13898	5.1
210.12054	0.4
211.12332	0.9
211.14365	11.6
223.12294	3.2
225.10518	0.3
225.13857	0.9
228.13423	0.9
239.11835	1.5
242.16470	0.4
243.07927	1.4
246.12694	8.2
250.11810	0.3
256.14508	1.0
257.09583	0.4
267.11517	0.4
268.43616	0.3
274.12155	19.2
275.12524	0.4
280.20105	0.4
284.13898	1.7
286.15454	0.5
287.05658	0.3
300.19135	10.3
308.19681	2.8
328.16898	0.4
345.19608	0.7
368.21106	0.3
371.17743	0.3
373.18994	20.0
374.18976	0.4
380.08597	0.3
381.19348	0.5
397.24399	100.0
398.24841	2.1
424.19308	0.4
429.19803	0.4
430.20853	0.5
494.27365	0.9
506.90820	0.3
515.27985	4.2
531.27423	6.4
539.26123	1.0
559.26874	13.9
560.26874	0.3
566.29407	1.3
583.32343	7.1
627.32550	0.4
656.32135	7.4
753.35486	0.4
775.32782	0.3
776.55298	0.3
808.38940	0.3
838.45917	0.7
866.45679	1.5
955.51147	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	954.6138
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05132	4.2
67.05497	82.2
69.03421	4.2
69.07063	16.1
70.29182	7.4
71.04987	2.0
73.02918	4.1
79.05487	48.4
81.03387	2.2
81.07050	85.0
83.04939	2.4
83.08608	8.8
85.02887	19.1
85.06578	2.0
91.03943	14.2
91.05470	31.1
91.50709	1.9
93.07036	54.7
95.04939	5.1
95.07999	4.1
95.08595	66.0
97.02899	10.0
97.06506	3.7
97.10156	5.6
105.07030	28.4
107.08577	36.3
109.06499	3.1
109.10148	34.7
111.08052	2.2
117.06973	10.3
119.08583	23.1
121.10133	27.5
123.11700	13.4
124.23251	1.8
127.03925	4.4
131.08556	17.7
133.10132	20.0
135.11690	22.7
136.12073	1.8
136.14981	1.7
137.13258	3.4
143.08487	1.9
145.04955	7.2
145.10114	13.4
147.11665	12.6
149.13202	13.9
151.14775	2.3
157.10103	3.3
159.11690	14.4
161.13226	11.5
163.05971	6.5
163.14821	8.7
171.11646	3.2
173.13246	7.5
175.14810	7.6
177.16328	2.5
185.13274	3.1
187.14758	7.3
189.16380	2.1
201.16393	2.2
241.19594	4.2
243.21036	5.2
245.22618	2.0
259.20605	7.4
261.22208	22.0
317.24771	5.2
333.24243	11.7
335.25769	100.0
336.26285	2.4
337.27441	13.8
432.63959	1.8
521.43512	4.9
575.93060	2.1
595.47308	17.0
613.48157	21.8
888.23645	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	954.6137
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05495	61.8
69.07047	14.1
71.07592	13.2
79.05476	48.5
81.07041	70.8
83.08574	7.8
85.02883	20.0
85.06514	5.8
88.18743	5.7
90.77947	4.5
91.03942	9.1
91.05461	27.7
92.99408	4.7
93.07031	46.8
95.08596	47.8
97.02883	5.7
97.10139	6.3
99.97265	5.3
105.07011	23.1
107.08551	34.6
109.10128	24.5
117.06964	8.4
119.08552	19.0
121.10140	31.1
123.11701	9.9
127.03923	5.6
131.08528	14.5
133.10098	13.6
135.11673	15.2
145.04921	8.3
145.10106	8.2
147.11659	16.3
159.11705	12.1
161.13223	9.2
163.06096	6.0
173.13220	9.5
174.51788	4.4
179.97404	4.8
187.14719	4.9
194.71333	4.6
239.86424	4.6
243.21036	6.2
259.20520	7.5
261.22015	24.5
333.24115	8.1
335.25793	100.0
337.27353	9.1
595.46741	18.5
613.47925	21.8
896.40778	5.5
947.19336	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	953.4533
Annotation	Unknow
Peak:m/z	Relative Intensity
67.25833	0.2
70.44578	1.1
78.98827	0.3
81.06989	0.3
396.12231	0.4
397.12891	0.9
398.13907	0.6
399.14362	0.4
400.15051	0.4
410.13657	1.1
411.14633	2.8
412.15240	2.1
413.16031	1.7
423.14676	0.4
424.10580	0.4
424.15427	1.1
425.16208	6.6
426.16931	3.7
427.18024	1.3
428.18466	1.7
429.19159	0.5
437.16785	0.4
438.12662	0.6
438.17587	0.6
439.13379	9.0
439.18909	0.7
440.13449	0.5
440.19046	4.1
441.19287	20.2
442.19412	0.7
443.17249	0.3
451.18063	0.4
452.14771	1.0
453.15259	10.4
454.15665	2.6
456.17877	1.2
459.20297	0.3
463.14169	0.3
465.15887	0.3
466.16937	0.5
467.17166	15.5
468.17917	9.2
469.18774	8.0
470.18793	0.4
471.16684	0.9
472.16922	0.3
478.16254	0.5
480.16638	0.6
481.14627	7.3
482.14825	1.6
483.16168	0.4
484.21710	2.2
485.18259	1.1
485.22446	0.6
486.18597	0.4
494.18408	0.3
495.16711	1.8
495.21524	0.4
496.17252	6.8
497.17545	1.7
498.19128	0.5
499.19888	0.6
500.20670	3.1
501.20847	0.4
508.18198	0.3
509.18558	1.0
512.21088	2.5
513.21667	4.5
514.21594	0.5
522.17712	0.5
523.19751	1.9
525.21484	0.8
526.18744	0.4
528.19928	1.0
537.19470	0.3
541.20801	27.8
542.20996	1.7
551.19226	0.7
553.20599	0.5
554.17975	0.4
559.22052	0.6
568.18970	0.8
569.20264	69.7
570.20563	3.8
572.19019	0.8
573.23651	1.3
597.19757	17.2
598.19696	0.7
600.22223	0.9
601.22974	6.4
611.21021	1.2
615.20520	0.3
628.21619	0.6
629.22357	100.0
630.22723	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	952.676
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05493	2.3
69.07054	2.5
71.08622	76.5
73.02914	2.4
73.06548	4.1
81.07032	1.9
83.08590	3.0
85.10168	74.1
86.73277	1.3
87.04460	24.5
89.06016	100.0
99.11720	7.1
101.09664	1.6
107.07035	3.0
113.05974	2.7
117.09131	6.7
130.08635	4.3
131.07027	10.4
133.08592	75.1
141.16371	8.0
161.11702	2.4
169.64793	1.3
173.53111	1.3
175.09619	4.6
177.11197	33.0
192.37177	1.0
199.18927	1.6
199.20586	13.6
219.12230	2.1
221.13806	5.6
231.14064	1.3
240.23186	1.3
257.24701	5.6
283.17529	2.8
303.88965	1.2
327.20334	1.9
375.99020	1.3
390.59308	1.3
440.38663	1.2
679.41687	2.8
760.37494	1.3
952.66418	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	949.6235
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05500	0.5
69.07045	0.7
70.15413	1.7
71.07368	5.5
71.08617	1.8
81.07042	0.8
83.08643	0.4
85.10169	1.0
86.09695	47.6
94.73767	0.4
95.08579	0.7
98.98458	2.8
103.39725	0.4
104.10730	96.7
105.11055	0.5
112.69423	0.4
120.87362	0.4
122.53687	0.4
124.99987	26.1
143.01105	0.5
163.01563	0.9
184.07324	100.0
185.07668	0.7
193.23450	0.5
258.10992	1.1
288.71469	0.4
313.27429	2.6
326.24841	0.4
404.45587	0.4
419.25470	0.6
478.32959	8.9
496.33957	82.6
497.34357	1.9
585.03033	0.4
591.38422	0.5
630.15717	0.5
965.00616	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	951.5796
Annotation	Unknow
Peak:m/z	Relative Intensity
66.96052	0.6
67.05495	34.9
69.03423	0.9
69.07059	16.2
71.04961	1.5
71.08621	2.6
71.75971	0.8
71.76328	0.6
74.67188	0.5
75.04457	1.0
78.12324	0.5
79.05484	9.5
81.07045	41.5
83.04966	0.9
83.08608	12.2
85.02905	1.2
85.06523	1.5
85.10159	1.5
86.09667	0.6
90.21115	0.6
91.03950	1.0
91.05469	7.4
93.07025	10.6
95.04984	1.3
95.08593	35.2
97.02879	1.0
97.06520	2.8
97.10154	6.4
98.98455	22.7
99.08073	1.6
104.10703	2.0
105.07015	5.2
107.08583	7.9
109.10145	16.5
111.08057	2.2
111.11703	1.8
113.09663	1.0
116.99535	1.0
119.08575	5.8
121.10128	7.9
123.08067	1.1
123.11694	7.3
125.09623	0.7
125.13226	0.8
133.10101	5.5
135.11662	4.6
137.09633	0.8
137.13231	4.0
141.12735	1.1
147.11647	5.4
149.13235	3.8
151.11182	0.6
151.14787	2.6
155.01018	11.5
155.14268	1.2
161.13228	4.8
163.14812	2.7
165.16415	1.8
173.02052	4.0
175.14810	3.9
177.16563	0.6
178.17537	0.5
179.14265	0.7
179.17926	2.0
189.16325	1.8
203.17932	0.6
214.19165	0.6
218.60861	0.6
245.22630	17.4
263.23669	29.0
290.81760	0.6
292.78995	0.5
310.58414	0.6
337.27322	100.0
338.27597	2.3
355.28296	2.0
417.23495	1.3
499.32584	7.3
518.32086	1.3
988.27826	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	933.5566
Annotation	Unknow
Peak:m/z	Relative Intensity
65.80903	0.7
67.05503	11.3
69.03432	9.3
69.07068	5.3
69.44331	7.5
71.01328	0.8
71.04987	1.2
71.08621	1.1
73.02912	8.1
79.05483	8.5
81.03414	3.7
81.07052	13.7
83.04971	1.6
83.08605	4.4
85.02905	20.7
86.65034	0.7
91.03957	12.2
91.05480	8.7
93.07033	9.8
93.07587	0.9
94.57898	0.7
95.04962	2.1
95.08599	11.0
97.02887	17.2
97.06522	1.1
97.10185	2.4
99.04449	2.5
101.02389	2.9
105.07036	7.7
107.08587	6.1
109.02881	1.8
109.06501	0.8
109.10167	5.1
115.03922	0.8
117.06999	4.3
119.08579	7.9
121.10152	4.6
123.11714	1.0
125.09588	0.8
127.03906	3.8
128.06227	1.8
129.06995	4.5
131.08575	6.7
133.10127	5.1
135.11699	2.6
141.07005	2.8
142.07790	2.0
143.08517	5.7
145.04967	3.5
145.10124	8.0
147.11685	3.3
149.13342	0.7
153.13710	0.8
155.08542	5.4
156.09308	1.2
157.10120	7.8
159.11699	4.5
161.13277	1.4
163.06049	1.4
165.06975	0.9
167.08569	3.5
169.10098	7.7
171.11674	6.3
173.13269	1.9
175.14854	2.2
179.08531	1.0
181.10167	5.4
183.11678	7.0
185.13271	4.7
187.14835	2.3
188.75792	0.9
193.10132	1.7
195.10167	1.0
195.11708	4.5
197.13239	5.4
199.14859	2.6
201.16444	1.0
207.11725	2.2
209.13286	4.0
211.14871	4.5
213.16431	2.5
221.13280	1.7
223.14891	3.0
225.16408	3.3
227.17975	1.1
233.13202	1.1
235.14813	1.7
237.16451	2.5
239.18018	1.7
241.19827	1.0
251.18001	1.9
253.19720	1.0
257.18881	0.8
261.22174	1.0
263.17996	1.4
264.96817	0.9
265.19543	1.5
281.22678	0.9
282.98096	1.1
307.24295	0.7
313.20572	1.3
313.27420	1.3
331.21365	1.1
409.04816	0.8
499.33820	0.9
515.38086	1.2
517.40314	3.8
535.41626	1.6
539.37341	1.8
591.43854	5.2
595.24780	6.3
607.43451	2.7
609.45117	100.0
610.45349	3.0
621.44849	1.6
633.45435	1.6
647.43787	0.8
651.46112	2.7
699.46063	1.4
717.48096	1.6
735.47986	2.7
753.48993	3.7
771.50397	26.2
933.55518	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	932.6296
Annotation	Unknow
Peak:m/z	Relative Intensity
65.61830	1.3
67.05497	28.3
69.03416	2.3
69.07063	9.8
69.46680	10.2
71.04952	1.2
71.08626	17.9
73.02892	2.9
79.05486	17.3
81.07048	36.6
83.01392	1.2
83.08607	9.3
85.02880	13.6
85.10167	11.7
91.03943	9.4
91.05461	8.6
92.28493	1.1
93.07045	19.2
95.04885	1.3
95.08593	37.1
97.02872	7.3
97.06501	1.6
97.10148	4.2
98.20734	2.4
99.08089	2.0
105.07036	6.4
107.08598	15.4
109.10137	16.4
117.07022	2.6
119.08549	6.1
121.10136	13.2
123.11673	7.7
127.03889	5.2
131.08562	6.8
133.10112	5.4
135.11670	7.2
136.63600	1.2
137.13255	2.6
145.04938	5.2
145.10094	5.2
147.11685	4.9
149.13237	6.0
159.11693	5.3
161.13239	3.7
163.06026	5.6
163.14838	3.0
173.13258	4.8
175.14751	2.1
177.16391	1.8
187.14859	2.2
233.22720	1.9
235.62405	1.3
235.91023	1.3
239.23674	2.8
243.21053	9.6
257.24649	1.7
261.19318	1.7
261.22089	32.8
279.93051	1.4
313.27335	100.0
314.27792	2.4
317.24692	6.3
335.25778	77.7
360.28607	1.5
573.48688	41.2
574.48950	1.9
591.49731	7.0
875.01721	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	922.6662
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05514	2.5
69.07052	3.2
71.08623	74.5
71.09023	3.5
71.74366	2.0
73.02905	2.6
73.06551	2.7
79.05459	1.6
81.07034	3.5
83.08602	5.2
85.10174	66.6
87.04455	23.3
89.06017	100.0
97.10149	2.8
99.11720	12.9
103.07575	1.9
107.07047	3.8
113.13285	4.8
117.09122	5.7
130.08624	4.0
131.07028	7.1
133.08588	75.8
152.90936	1.5
155.17937	9.9
175.09673	6.2
177.11209	30.6
189.31871	1.5
213.22096	13.2
219.12279	2.6
221.13834	5.6
271.26233	4.7
283.17517	2.5
327.20425	1.7
339.28857	4.2
340.29312	4.2
635.38055	5.8
668.47955	1.9
922.65417	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	922.6297
Annotation	Unknow
Peak:m/z	Relative Intensity
64.96522	0.3
67.05486	1.8
69.07048	0.7
69.83240	1.3
69.83650	0.7
71.08621	3.4
71.61147	0.2
73.02915	2.0
73.06530	1.0
79.05499	0.3
81.07049	1.8
82.51932	0.3
83.08612	1.4
85.10175	1.9
87.04460	4.1
89.06019	19.9
92.33702	0.3
95.08587	3.8
97.10186	0.5
107.07031	0.6
108.54242	0.3
109.10142	1.3
113.05981	0.5
117.09132	0.8
128.77493	0.3
130.08641	0.8
131.07027	1.3
133.08589	13.7
154.45763	0.3
175.09650	0.8
177.11195	4.4
177.48917	0.3
187.19064	0.3
221.13852	0.8
227.20024	100.0
228.20377	1.3
239.14789	0.3
271.22632	2.5
283.17606	0.4
315.25137	0.4
337.27081	0.3
343.23923	0.3
359.27811	1.0
383.33353	0.3
475.48999	0.3
732.81396	0.3
922.62958	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	920.5565
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03937	2.2
67.05495	45.2
69.03436	1.7
69.07058	9.3
69.49042	3.3
71.04982	13.7
71.08631	0.6
73.02895	2.1
73.81933	0.3
77.03910	0.4
79.05485	23.6
81.03418	1.2
81.07044	66.9
82.07394	0.6
83.04972	2.5
83.08610	5.9
85.02896	7.9
85.06532	4.8
87.04468	0.7
91.03947	3.8
91.05468	20.7
92.44036	0.4
93.07031	29.5
95.04955	3.6
95.08593	21.3
96.08852	0.4
96.60844	0.3
97.02869	4.1
97.06521	3.9
97.10156	1.9
98.21398	0.7
99.04437	0.4
99.08083	1.0
105.04527	0.7
105.07014	11.4
107.08581	16.1
109.06503	1.8
109.10142	9.0
111.08078	1.5
117.07001	4.5
119.08563	5.9
121.06544	0.4
121.10131	11.6
123.08038	0.5
123.11686	10.2
125.09614	0.7
127.03933	2.2
129.06982	0.7
131.08540	6.0
133.10114	11.6
135.08055	0.7
135.11670	7.9
135.12625	0.5
137.13248	0.5
143.08591	0.5
145.04939	2.0
145.10100	3.4
147.11667	3.2
149.13223	5.1
151.11165	5.4
157.10149	1.0
159.11682	4.3
161.13232	1.8
163.04004	0.3
163.06013	1.6
163.11185	0.6
163.14903	0.5
163.54488	0.4
165.12761	0.7
169.12218	0.6
171.11700	0.8
173.04509	0.6
173.13182	1.8
175.14865	1.1
177.12747	1.6
183.12338	0.4
183.13715	2.0
185.13252	0.6
187.13295	2.6
187.14847	0.9
195.13765	0.9
197.12933	0.4
199.14818	0.7
201.14766	0.6
203.09799	0.4
227.16347	0.8
243.15842	1.0
257.17554	1.1
259.20700	0.8
261.22061	2.0
269.17392	4.8
278.08389	0.5
301.20084	10.3
317.24786	0.9
335.25751	21.0
349.28015	0.4
393.31461	0.6
411.32712	1.2
437.34412	0.8
445.24609	0.7
485.36060	2.4
503.37253	72.0
504.37601	3.3
511.37979	1.1
517.38818	3.5
529.38843	14.9
547.39886	0.9
561.41443	100.0
562.41711	5.0
647.40729	0.4
673.43463	0.7
705.45148	2.0
853.51788	0.4
920.51654	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	920.5571
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03935	1.9
66.03551	0.6
67.05502	58.8
69.03416	3.3
69.07065	10.0
69.71019	1.0
69.71429	3.6
71.04991	19.0
73.02915	2.4
79.05492	33.1
81.03421	2.1
81.07051	91.1
83.04975	3.8
83.08610	7.4
85.02901	11.2
85.06535	7.9
87.04481	0.8
91.03951	5.8
91.05009	0.4
91.05473	28.4
93.07037	40.0
95.04955	4.0
95.08600	26.5
96.04485	0.7
97.02886	6.3
97.06516	4.3
97.10162	2.2
99.04436	0.9
99.08120	1.1
105.07027	17.2
107.08589	23.3
109.02840	1.0
109.06525	2.6
109.10152	13.1
109.10878	0.9
111.08080	2.4
111.11751	0.6
117.07025	5.5
119.08575	8.5
121.10127	14.8
121.10967	0.8
123.08085	1.4
123.11705	13.6
125.09648	1.2
127.03954	2.4
129.06984	0.8
131.08565	10.5
133.10117	17.6
135.11684	9.7
139.11169	0.7
141.07014	0.6
143.08594	0.9
145.04977	2.3
145.10133	6.0
147.04407	0.7
147.11708	3.8
149.13249	6.2
151.11157	6.4
153.12782	0.9
157.10127	1.7
159.11713	6.2
161.13252	3.7
163.03932	0.8
163.06015	2.4
163.14870	1.1
165.12698	0.6
169.10075	0.6
169.12245	0.7
171.11702	1.4
173.13260	3.2
175.14836	1.6
177.12784	2.2
179.14369	0.8
183.13823	3.6
185.13246	1.0
187.13287	4.2
187.14862	1.5
189.16347	1.0
191.14250	0.8
195.13795	1.6
197.13164	0.7
199.14848	0.9
201.14906	1.0
227.16415	1.7
243.21175	0.9
253.17929	1.3
257.17545	2.5
259.20898	1.2
261.22232	2.3
266.12866	0.6
269.17450	5.6
274.82361	0.6
301.20068	20.0
302.20502	0.7
303.70602	0.6
317.24780	1.2
333.24335	0.6
335.25745	16.7
393.31412	1.2
411.32733	2.0
429.33594	0.9
437.34186	2.5
437.41602	0.5
445.24063	1.3
455.35291	0.8
485.36154	6.1
503.37283	80.1
504.37347	3.4
511.37851	1.5
517.38873	4.0
519.72119	0.6
529.38885	27.4
530.39136	1.1
547.39893	1.3
561.41473	100.0
562.42029	4.1
615.62085	0.6
673.42474	1.0
705.46063	0.6
938.27393	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	918.5048
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03933	4.7
67.05496	73.5
68.99779	1.8
69.03418	7.9
69.07064	16.1
71.01335	3.4
71.04974	3.5
74.06306	1.4
77.03941	1.7
79.05015	2.9
79.05480	56.2
81.03407	29.6
81.07045	71.4
83.01362	2.0
83.04980	8.6
83.08617	15.3
85.02895	9.4
85.06524	3.7
91.04916	3.0
91.05469	47.8
91.06039	3.0
93.07032	66.6
95.01324	16.8
95.04959	20.9
95.08591	50.0
97.02896	9.1
97.06496	6.4
97.10131	5.3
98.74298	1.7
101.02333	3.4
105.07011	38.9
107.04953	14.9
107.07907	2.7
107.08578	32.8
109.02856	9.9
109.06481	8.7
109.10139	32.6
111.00757	3.3
111.04421	5.3
111.08025	4.9
113.02296	2.1
115.05439	3.8
117.07006	17.9
119.04919	6.1
119.08566	28.1
121.02845	2.8
121.06506	14.4
121.10124	22.7
123.04444	7.8
123.08050	4.1
123.11674	8.8
125.02346	4.1
125.06027	1.7
125.09595	4.1
127.03906	4.6
128.06190	2.0
129.06976	12.6
131.04904	8.0
131.08530	24.4
133.06465	9.6
133.10109	28.0
135.04382	8.1
135.08023	6.7
135.11678	13.0
137.02310	2.8
137.05943	5.0
137.09644	4.1
137.13268	2.5
139.03897	2.6
141.01811	5.0
141.06955	4.5
143.08566	9.3
145.06471	8.6
145.10100	15.8
147.04387	13.3
147.07991	5.9
147.11678	17.9
149.02393	1.6
149.05949	5.9
149.09573	6.2
149.13234	7.2
151.03877	17.0
151.07532	1.8
151.11205	3.4
153.05461	3.0
155.08525	8.1
157.06467	3.3
157.10098	15.3
159.04398	3.5
159.08029	4.9
159.11696	12.5
161.06007	5.8
161.09587	5.7
161.13226	5.9
163.03880	9.0
163.07570	2.9
163.11127	2.2
163.14807	3.5
165.01804	1.6
165.05461	3.5
167.08536	2.8
169.04962	4.9
169.06435	3.0
169.10097	7.4
171.04395	1.6
171.08000	4.9
171.11688	7.0
171.55356	1.6
173.05946	4.8
173.09578	3.7
173.11716	7.3
173.13223	5.4
175.03928	11.7
175.05186	1.7
175.11151	9.7
175.14833	2.0
177.03928	1.7
177.05438	4.7
177.12706	4.0
179.03391	3.8
179.07071	2.1
179.08539	2.5
179.10703	2.8
181.10126	3.6
183.11674	2.6
185.05923	3.5
185.09576	4.8
185.13281	3.5
187.03854	2.6
187.07538	2.6
187.11122	9.8
187.14815	4.6
189.05450	5.9
189.09120	2.4
189.12769	3.4
191.03352	2.4
193.04962	3.4
193.12181	10.1
195.11684	3.4
197.09612	4.2
199.07573	2.1
199.11194	5.7
199.14816	2.0
201.05478	1.6
201.09125	2.9
201.16397	2.2
203.10638	4.5
205.04985	1.6
205.12163	5.3
207.11842	2.1
207.13728	3.9
211.11180	2.4
211.13135	4.0
213.05383	3.1
213.12762	2.9
215.10695	7.8
217.12206	4.5
221.11588	1.9
223.13199	2.5
225.09071	2.3
227.10609	5.2
229.12238	1.9
233.11711	5.0
233.15361	2.0
235.13223	2.2
241.12184	5.8
243.10104	3.9
243.20953	4.4
245.11649	6.5
251.10497	3.0
251.12752	3.5
255.10056	5.1
259.13187	4.9
259.20520	3.7
261.11243	4.9
261.14856	3.8
261.22092	12.0
267.15799	6.9
269.11700	5.2
271.09387	2.2
271.13223	4.5
273.11316	2.9
277.14166	3.1
279.12207	4.3
279.23206	1.8
285.16638	3.5
287.12723	17.7
289.14340	9.3
297.13629	2.9
299.14801	8.1
305.13879	8.9
307.15411	2.8
315.12045	9.2
316.27789	1.8
317.24597	3.8
323.14859	4.8
333.13263	23.3
333.24335	3.2
335.25751	100.0
336.26190	4.8
351.14316	45.4
353.15762	1.6
365.15884	5.9
367.17197	1.8
369.15326	6.3
371.16751	2.3
383.17554	1.8
389.16135	2.6
407.16931	28.4
425.18005	53.6
435.32904	2.3
443.19061	34.7
444.19052	2.2
459.16449	2.5
461.20117	3.8
477.17435	2.9
477.27695	1.9
495.18512	4.9
527.37396	11.3
545.38129	6.1
559.36096	2.8
575.33337	2.1
593.33984	2.3
611.35516	6.6
623.39008	5.0
625.37201	3.7
629.36517	3.9
631.37830	3.3
649.37640	2.4
667.38184	39.2
668.38635	2.1
685.39343	61.2
686.39307	2.5
703.40350	71.5
704.40466	4.9
721.41223	9.2
780.16376	2.1
847.43750	7.1
847.58783	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	918.3736
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03933	1.1
66.94500	0.6
67.05495	16.1
68.05003	1.5
69.03413	2.4
69.07064	4.0
70.02910	0.8
70.06583	6.5
70.28768	0.7
71.04977	2.0
71.74842	1.1
72.08143	1.3
73.01138	0.7
73.02897	2.0
73.08473	0.7
74.00652	1.3
74.06028	0.9
76.02219	31.7
76.03978	3.2
79.05484	9.4
80.05009	3.0
81.03411	3.3
81.05779	1.1
81.07046	22.9
82.06574	1.8
83.04961	1.5
83.06094	6.7
83.08603	4.8
84.03653	1.3
84.04494	13.2
84.08108	1.2
85.01101	2.1
85.02888	9.7
85.06543	1.5
86.00632	6.6
86.06064	0.9
86.09691	2.3
86.99048	5.0
87.02680	1.5
88.02190	3.5
91.03941	4.9
91.05460	9.4
93.07030	17.0
94.06542	2.8
95.04960	2.4
95.08594	7.2
96.04478	1.9
96.08092	0.7
97.01101	11.8
97.02878	6.5
97.06517	4.1
98.00626	0.8
98.06034	1.1
99.02663	1.8
99.04468	1.5
99.05555	2.2
99.08104	1.1
100.02202	2.1
101.07111	0.7
102.05521	6.7
105.06998	4.5
106.06567	1.5
107.04939	1.0
107.08579	8.5
108.08145	1.0
109.02858	1.2
109.06490	1.6
109.07631	1.2
109.10155	2.1
110.06035	1.2
110.07143	1.4
111.02650	15.7
111.08074	2.8
112.02204	1.6
112.03969	0.9
112.08684	1.1
114.03761	3.7
114.05534	1.5
115.01411	0.7
115.02174	0.8
115.04007	0.6
116.01659	25.7
116.07092	0.9
117.07020	4.4
119.08563	3.1
120.08066	1.2
121.10130	4.7
121.20612	0.6
123.02650	2.3
123.08002	0.6
123.11685	1.8
125.04196	1.4
125.09599	0.7
126.05496	0.8
127.02102	1.4
127.03900	1.3
129.06596	10.5
130.04985	6.5
130.06485	0.8
131.08543	7.5
133.10110	8.3
134.05989	1.6
134.56558	0.7
135.11678	4.1
136.03929	3.1
136.07552	0.8
137.04181	8.3
137.09576	0.8
139.11136	0.8
141.04773	1.6
142.03203	9.0
143.02728	2.5
143.35512	0.8
144.01118	12.8
145.04962	1.9
145.06116	2.4
145.10072	0.9
147.11722	2.1
148.07564	0.8
149.04219	2.0
149.09627	1.4
149.13239	14.1
151.05750	2.2
151.11172	3.4
153.06523	1.7
155.96094	0.6
157.10066	1.2
159.11693	9.5
161.02693	0.9
161.04164	1.3
162.02184	28.6
162.05499	0.9
163.05818	0.7
165.07332	1.1
170.01277	0.9
170.02647	4.6
173.13214	1.0
175.11203	0.9
176.07092	0.7
176.14250	0.7
177.12746	9.2
179.04840	21.2
181.06113	1.4
183.08492	1.1
186.07623	1.1
187.05367	3.9
188.03683	0.8
189.03302	2.6
191.08888	2.2
193.06084	1.4
194.13799	0.7
194.15451	2.7
195.13776	5.4
198.14894	1.0
199.07227	0.8
205.06442	1.0
206.15431	2.0
207.11996	2.0
208.06020	3.9
209.09924	1.9
212.16492	1.2
213.14798	1.4
215.04834	3.3
217.06616	0.8
217.10487	3.9
218.04781	1.3
218.15456	2.8
223.11554	1.3
224.14523	0.9
224.16461	2.5
225.13109	1.0
226.12599	4.0
233.05891	7.3
235.11530	7.9
238.07147	1.6
243.16008	1.3
245.05943	2.7
252.14110	18.1
252.16406	1.4
253.12552	3.2
268.19046	1.8
269.17444	22.0
270.15063	7.6
274.09119	0.7
275.17398	0.8
280.13644	2.2
282.20605	0.9
286.20367	1.4
289.04904	2.9
291.06454	1.0
298.14603	1.3
304.65396	0.7
308.09070	6.8
312.12640	2.3
326.17892	1.5
327.16776	3.6
336.16257	1.1
344.19626	5.8
354.18314	0.7
355.16910	3.0
362.19995	2.9
372.18564	1.6
380.20535	1.6
399.19815	1.3
412.18289	0.8
427.19418	1.1
429.20477	9.5
430.18988	1.2
447.21567	71.8
448.21704	2.0
457.20047	1.2
465.22610	21.8
473.23102	0.9
501.22668	4.5
502.22177	1.6
513.22577	2.8
519.23657	13.0
520.23779	1.1
557.21503	2.1
558.24786	3.1
575.23053	1.2
576.25787	15.5
577.25952	0.8
594.26843	100.0
595.27240	3.7
609.27161	2.4
627.27496	2.4
636.27826	2.3
672.28003	1.4
681.28589	0.9
702.29761	0.9
720.29547	1.0
738.31122	3.0
756.32153	23.5
757.33051	1.0
773.93427	0.8
918.37781	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	914.5505
Annotation	Unknow
Peak:m/z	Relative Intensity
63.48945	1.5
67.05500	7.0
69.07059	12.1
70.65942	5.8
71.08631	2.5
79.05483	2.8
81.07053	8.3
83.08616	7.8
85.06503	1.8
93.07040	4.8
95.08601	9.8
97.10167	5.5
98.06054	2.5
98.98458	4.9
107.08583	3.1
109.10158	3.9
111.11728	1.8
121.10110	3.5
124.93778	4.8
128.61334	1.7
135.11705	3.2
142.94797	2.2
149.13155	2.1
155.01080	6.2
160.76585	1.3
162.25124	1.2
216.06241	3.2
265.25262	3.2
308.29446	25.9
339.28922	100.0
340.29230	2.0
419.25366	8.3
436.38687	1.8
462.29788	25.0
479.21326	3.9
480.21371	2.6
480.30826	33.2
553.93634	1.6
931.07776	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	916.4893
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03934	5.1
67.05141	3.4
67.05499	55.9
69.03416	4.8
69.07063	15.7
69.59324	13.0
71.04987	2.5
76.55119	1.6
79.05492	48.5
81.03407	11.2
81.07052	53.8
83.04971	4.8
83.08618	13.6
83.94936	1.5
85.02897	4.8
86.09708	1.9
91.05474	33.3
93.07037	35.0
95.01326	15.3
95.03696	1.8
95.04960	10.8
95.08597	40.0
97.02871	5.4
97.06517	4.5
97.10170	23.3
98.15985	1.8
103.03946	2.4
105.03392	1.9
105.04452	1.7
105.07019	24.9
107.04971	8.5
107.08595	28.6
109.02869	6.9
109.06503	5.5
109.10149	18.4
111.04462	2.9
111.08114	3.0
113.00369	1.5
113.25917	1.6
115.05431	3.5
117.07007	12.5
117.90331	1.8
119.04924	4.9
119.08553	16.0
121.02823	2.8
121.06509	4.2
121.10130	15.2
123.04423	7.1
123.08069	4.2
123.11699	3.4
125.09637	17.0
127.03896	2.8
128.06195	3.7
129.07005	7.2
131.04922	3.2
131.08569	11.7
133.06474	3.8
133.10141	11.4
135.04375	13.1
135.08055	6.2
135.11705	7.4
137.02350	2.2
137.05984	1.9
137.09573	2.3
139.03844	2.1
141.06972	4.8
143.08569	7.2
145.06477	4.3
145.10104	14.0
145.59772	1.7
147.04439	5.8
147.11691	7.3
149.02315	3.1
149.05949	2.8
149.09604	2.7
149.13243	4.3
151.03896	23.1
153.09064	2.5
155.08583	4.8
157.06447	3.5
157.10149	7.3
159.04378	4.4
159.08044	2.7
159.11682	6.6
161.05991	5.1
161.09628	2.2
161.13251	3.1
163.03877	17.9
163.11224	2.8
165.01860	5.5
165.05551	3.5
165.07066	2.6
167.03409	4.7
167.08583	4.1
169.05043	4.1
169.06395	2.5
169.10101	6.6
171.04346	1.9
171.07985	3.2
171.10303	2.1
171.11731	3.8
173.04565	2.4
173.05960	2.0
173.09621	3.5
173.13271	5.2
175.03941	6.8
177.01860	5.8
177.05432	2.5
179.03429	4.1
181.10161	5.0
183.08076	2.6
183.11676	3.6
185.05957	3.2
185.09637	5.3
185.13235	3.7
187.03934	4.3
187.07573	2.7
187.11224	3.2
188.22505	1.8
189.01796	2.9
189.05537	8.2
189.11206	7.7
191.03387	6.4
193.04959	2.6
195.08092	3.7
195.11703	2.4
195.60962	1.8
197.13214	4.0
199.03899	22.5
199.11150	3.5
199.14702	2.3
201.05464	3.0
201.08951	2.5
203.10666	4.0
205.04993	7.1
209.09512	2.6
209.13293	2.8
211.07567	2.6
213.05568	4.9
213.09184	6.8
215.10669	3.5
217.04945	3.6
221.04396	6.2
221.09708	2.0
223.11195	2.0
225.09119	3.8
227.12761	4.8
229.04959	2.7
229.08511	2.1
229.12286	2.1
231.10196	5.3
237.08910	2.6
239.05362	2.2
239.10690	3.4
239.14267	2.1
241.12122	2.1
243.10216	5.0
243.21077	2.9
245.11752	2.6
251.05525	6.6
255.10150	4.7
257.08136	2.5
257.11646	5.5
259.20633	4.1
261.11218	3.8
261.22177	5.7
267.10062	3.2
269.11557	2.3
271.09656	6.0
273.11188	4.0
275.12778	2.4
275.20163	2.3
283.09506	2.4
283.20361	1.9
285.11337	9.7
287.12787	2.4
289.10724	5.9
295.09741	2.8
301.10651	3.2
303.12344	9.6
305.13898	2.2
306.20538	2.2
313.10550	2.9
321.13446	8.3
331.11725	6.9
333.24323	3.0
335.25790	53.1
336.26031	4.0
349.12851	13.3
363.14227	3.2
363.25110	3.9
367.13867	7.8
375.14313	19.3
405.15518	8.5
423.16473	100.0
424.16772	4.7
441.17334	19.0
445.14810	2.0
459.18735	2.0
475.16086	2.2
490.54947	1.8
507.35010	1.8
511.18039	4.0
525.35553	6.3
526.36420	5.5
527.31122	3.2
563.33386	2.6
565.34900	2.0
573.31775	3.1
591.32928	6.2
605.35004	2.0
609.33630	9.0
619.36322	2.3
635.35901	14.7
637.36731	2.1
647.35480	5.7
653.36902	1.9
655.38220	5.8
665.36908	20.7
666.36969	3.1
683.37903	55.3
684.38074	4.1
701.38910	73.8
702.39282	6.7
719.39752	8.9
916.55402	2.3
943.09229	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	908.6508
Annotation	Unknow
Peak:m/z	Relative Intensity
65.89445	1.1
67.05495	2.3
69.07063	3.8
70.81614	2.9
70.82011	2.5
71.08625	78.6
73.06551	2.6
79.05456	1.6
81.07032	2.0
83.08608	2.3
85.10175	72.6
87.04463	23.5
89.06023	100.0
95.08564	1.8
97.10142	1.9
99.11710	7.7
101.09633	2.0
105.81132	1.3
107.07064	4.6
109.10204	1.3
113.06007	1.8
117.09119	9.2
130.08620	5.0
131.07047	8.9
133.08598	77.2
141.16357	8.6
161.11742	2.0
168.81363	1.2
175.09665	4.1
177.11198	27.3
199.20549	16.0
219.12305	2.7
221.13797	5.1
240.23534	1.6
257.24722	6.7
283.17542	2.0
635.38147	5.2
908.65094	5.8
909.48431	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	908.6507
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05479	1.3
69.07063	2.2
70.27091	4.9
71.04980	1.1
71.08630	39.2
71.20722	1.2
73.02913	2.8
73.06559	7.1
81.03424	1.1
81.07043	2.9
83.08620	1.7
85.10172	33.3
87.03946	2.0
87.04465	27.7
89.06029	100.0
93.07068	1.1
97.10191	1.3
99.11718	4.6
103.07568	6.1
107.07063	3.3
113.13264	1.6
117.09130	6.5
124.41981	1.1
130.08611	5.1
131.07042	5.5
133.08600	76.6
155.17949	3.0
161.11647	1.4
175.09639	4.8
177.11229	27.7
213.21983	1.9
219.12132	1.6
220.54529	1.1
221.13884	4.6
239.14909	1.5
257.24899	2.4
283.17609	2.4
293.01324	1.1
327.20111	1.3
587.18622	1.1
679.40735	2.0
908.63947	2.0
909.47717	1.9
931.32239	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	904.5255
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03945	1.1
67.05498	39.3
69.03416	2.6
69.07064	11.8
70.06582	1.1
71.04990	2.5
71.72723	1.6
73.02906	2.1
77.03930	1.3
79.05487	25.0
81.03378	1.8
81.07049	68.7
83.04971	4.7
83.08617	8.7
85.02907	11.3
85.06527	4.4
87.04479	1.0
91.03929	6.0
91.05460	24.8
93.07036	30.1
95.04960	4.9
95.08598	30.1
97.02882	4.9
97.06517	5.5
97.10141	2.7
99.08088	2.2
101.05982	1.1
105.07024	25.6
107.07919	1.6
107.08591	23.6
109.06486	3.9
109.10139	13.2
111.08086	2.1
117.07009	2.4
119.08572	20.7
121.10140	21.2
123.08034	3.7
123.11697	17.4
127.03900	2.3
127.07504	1.4
129.06960	2.4
131.08543	6.7
133.10106	9.6
135.11668	7.3
137.09547	1.6
137.13263	2.7
145.04871	1.9
145.10074	5.5
147.11668	36.7
148.93568	1.2
149.13257	5.1
156.21411	1.0
159.11713	3.8
161.13255	2.3
163.06027	3.0
163.14790	2.6
165.12723	15.1
173.13252	3.6
175.11078	3.0
183.13734	1.6
187.14864	2.4
193.12212	2.2
229.14304	3.2
243.20972	2.3
261.22107	17.6
267.15894	47.7
279.23126	2.3
285.16931	59.1
317.24634	3.0
335.25772	100.0
336.26120	2.1
453.33783	1.5
488.71970	1.1
527.37537	5.3
545.38342	59.2
546.38416	3.4
563.39166	2.7
670.94592	1.2
713.85858	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	904.5255
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03945	1.1
67.05498	39.3
69.03416	2.6
69.07064	11.8
70.06582	1.1
71.04990	2.5
71.72723	1.6
73.02906	2.1
77.03930	1.3
79.05487	25.0
81.03378	1.8
81.07049	68.7
83.04971	4.7
83.08617	8.7
85.02907	11.3
85.06527	4.4
87.04479	1.0
91.03929	6.0
91.05460	24.8
93.07036	30.1
95.04960	4.9
95.08598	30.1
97.02882	4.9
97.06517	5.5
97.10141	2.7
99.08088	2.2
101.05982	1.1
105.07024	25.6
107.07919	1.6
107.08591	23.6
109.06486	3.9
109.10139	13.2
111.08086	2.1
117.07009	2.4
119.08572	20.7
121.10140	21.2
123.08034	3.7
123.11697	17.4
127.03900	2.3
127.07504	1.4
129.06960	2.4
131.08543	6.7
133.10106	9.6
135.11668	7.3
137.09547	1.6
137.13263	2.7
145.04871	1.9
145.10074	5.5
147.11668	36.7
148.93568	1.2
149.13257	5.1
156.21411	1.0
159.11713	3.8
161.13255	2.3
163.06027	3.0
163.14790	2.6
165.12723	15.1
173.13252	3.6
175.11078	3.0
183.13734	1.6
187.14864	2.4
193.12212	2.2
229.14304	3.2
243.20972	2.3
261.22107	17.6
267.15894	47.7
279.23126	2.3
285.16931	59.1
317.24634	3.0
335.25772	100.0
336.26120	2.1
453.33783	1.5
488.71970	1.1
527.37537	5.3
545.38342	59.2
546.38416	3.4
563.39166	2.7
670.94592	1.2
713.85858	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	902.5097
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03928	5.3
67.05499	69.3
69.03413	5.2
69.07060	22.0
69.78082	2.7
69.78493	6.0
71.04984	4.2
73.02912	2.5
79.05488	51.2
81.03413	31.5
81.07048	72.3
83.04971	4.1
83.08619	10.3
85.02887	5.9
85.06525	4.9
91.05471	40.5
93.07036	63.0
95.01300	9.7
95.04960	17.9
95.08601	58.1
97.02888	4.2
97.06525	7.7
97.10133	4.3
99.08092	2.3
103.05440	2.1
105.07021	37.1
107.04926	11.1
107.08579	31.1
109.02860	1.9
109.06519	7.6
109.10153	19.4
111.04434	2.1
111.08080	4.1
111.11749	1.6
113.02325	1.8
115.05429	2.4
117.07010	19.3
119.04935	3.1
119.08564	29.8
121.02831	4.6
121.06491	19.6
121.10131	28.8
123.04418	4.8
123.08060	7.6
123.11675	9.3
125.02339	5.5
125.09615	3.0
128.06218	3.9
129.06995	11.8
130.07744	1.4
131.04897	3.4
131.08557	30.6
133.06491	4.8
133.10104	28.0
135.04410	4.2
135.08008	6.6
135.11676	18.5
135.48372	1.3
137.02293	1.9
137.05937	3.6
137.09601	4.6
137.13251	2.7
139.03963	2.8
141.01833	2.6
141.06964	4.6
142.07759	2.2
143.08530	14.4
145.06497	3.9
145.10121	26.3
147.04391	8.8
147.08020	5.3
147.11682	16.3
149.05963	5.5
149.09622	4.7
149.13239	11.4
151.03906	1.9
151.11182	2.0
153.05423	1.3
154.17899	1.3
155.08571	6.1
156.09329	1.6
157.06514	2.7
157.10115	9.1
159.08081	3.0
159.10411	1.4
159.11691	23.4
161.06027	2.1
161.09584	4.2
161.13240	13.2
163.03883	5.0
163.07500	3.5
163.11147	3.7
163.14836	2.2
165.50764	1.3
167.08583	1.4
169.10126	8.0
171.08069	2.4
171.11673	15.4
173.05978	1.6
173.09683	1.9
173.13249	9.3
175.07576	2.9
175.11119	1.9
175.14812	3.0
177.12666	9.5
179.14342	2.5
181.10100	3.7
183.11658	6.6
185.06059	1.5
185.13228	5.7
187.07568	2.1
187.11159	2.6
187.14795	5.4
189.12762	8.1
191.14331	2.3
195.07996	1.3
195.11620	3.6
195.13690	1.9
197.09605	2.3
197.13228	5.0
199.11163	2.9
199.14905	3.1
201.12729	3.2
201.16257	1.5
205.12247	5.1
207.11810	2.5
207.13754	28.2
211.11253	1.5
211.14970	1.8
213.16298	3.1
215.14360	5.9
217.12236	1.9
219.13800	2.6
225.12776	3.1
225.16368	1.7
229.12125	1.9
233.15370	3.3
235.13216	1.6
241.19431	1.7
243.13831	3.1
243.21121	1.8
245.15480	1.5
247.13153	1.5
249.14777	1.9
253.12329	2.6
259.20560	4.2
261.14865	16.2
261.22153	5.3
271.13516	1.5
271.20474	1.8
273.14963	1.7
275.19971	2.0
279.16019	2.0
285.22144	1.8
289.14316	24.0
291.15927	2.6
293.17590	1.6
299.12735	2.1
303.23151	3.5
307.15417	20.9
316.66592	1.5
317.13852	2.1
317.24652	2.9
325.16403	12.9
333.24136	3.7
335.14911	14.7
335.25772	71.5
336.26224	1.8
353.15915	14.0
371.16891	3.3
381.19461	1.7
395.86313	1.6
399.19971	1.7
427.19620	100.0
428.19684	3.3
429.21234	2.3
437.34451	6.7
445.20648	7.5
449.33707	1.5
455.34714	2.2
465.33572	2.6
469.24420	1.6
479.18735	1.7
497.20123	3.7
511.37546	4.4
529.38885	71.0
530.39441	6.8
531.34766	3.3
543.36511	2.9
549.35773	4.8
559.33868	2.9
577.35175	2.8
585.37689	2.4
595.36426	5.3
613.37213	12.8
623.38837	2.0
631.38080	4.2
633.37762	3.4
641.40253	3.0
651.38660	3.3
659.40503	2.0
669.39783	6.3
687.29456	2.9
687.40942	52.2
688.40900	4.4
705.42017	73.0
706.42529	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	902.5094
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03920	1.0
67.05498	22.3
69.03416	3.3
69.07069	8.4
69.67648	0.7
71.04978	2.0
71.08607	1.0
71.76342	1.3
73.02892	1.7
79.05021	1.1
79.05485	20.0
81.03416	16.2
81.07048	31.1
83.01308	1.2
83.04974	2.0
83.08595	5.6
85.02895	3.9
85.06525	0.8
86.60809	0.6
91.04917	1.5
91.05469	18.4
93.07036	27.3
95.01303	3.0
95.04970	9.1
95.07995	1.4
95.08595	21.3
97.02882	3.8
97.06522	3.9
97.10151	2.4
99.04456	0.9
105.07018	14.4
107.04932	7.1
107.08584	13.8
109.02869	1.4
109.06506	3.5
109.10144	7.3
111.04427	1.6
111.08067	1.8
117.07005	7.5
119.04933	1.7
119.08567	12.4
121.02838	2.1
121.06517	7.7
121.10133	11.4
123.04411	1.8
123.08037	2.5
123.11672	2.6
125.02377	1.7
125.05971	1.0
125.09688	1.0
127.03931	2.7
128.06183	1.1
129.06985	4.3
131.04910	1.5
131.08562	11.1
133.06467	2.9
133.10109	8.1
135.04427	2.4
135.08057	3.8
135.11679	12.5
137.05930	1.4
137.09615	1.6
139.03879	1.1
139.07500	0.7
141.01784	1.6
141.07014	1.7
143.08553	4.7
145.06456	2.3
145.10115	13.3
147.04398	4.0
147.08035	2.3
147.11662	5.9
149.06017	2.1
149.09592	2.3
149.13245	4.1
151.03954	1.6
154.48334	0.9
155.08571	1.6
157.10114	2.3
159.11687	7.7
161.06000	1.2
161.09599	1.6
161.13268	5.7
163.03877	2.2
163.07547	0.9
163.11151	11.3
167.08527	0.8
169.10104	2.4
171.11682	5.9
173.13260	3.6
175.11218	1.3
175.14803	1.5
177.05437	0.9
177.12752	4.4
179.14384	1.0
181.12202	2.1
183.11667	1.5
185.13229	1.6
187.07553	1.3
187.11165	1.4
187.14780	1.6
189.12720	3.6
191.14226	1.1
195.11772	0.9
197.09552	1.0
197.13278	2.4
200.48605	0.7
201.12721	0.9
205.12289	1.7
207.13782	12.6
215.14383	1.5
217.12184	1.7
219.13745	0.9
223.14751	0.7
225.12788	1.5
227.12781	13.3
227.20120	0.8
229.12268	1.0
231.27248	0.8
233.15363	3.3
235.13391	0.9
243.13788	2.2
243.21072	1.4
245.15361	1.4
253.12135	1.3
259.20468	0.9
261.14856	10.1
261.22189	3.9
265.14307	0.8
269.17447	3.2
271.13150	1.8
271.20645	0.9
275.19974	0.8
277.14203	0.9
279.15854	1.6
283.15369	18.6
289.14337	14.8
291.15939	2.0
293.13712	0.7
299.12766	1.7
307.15369	15.7
317.13837	3.1
317.24643	0.8
325.16483	8.2
335.14871	11.0
335.25769	30.8
336.25940	0.9
353.15906	14.0
371.16925	2.7
399.20044	2.7
409.19061	0.9
427.19611	100.0
428.20071	2.7
429.21100	1.5
437.34222	2.2
445.20700	11.2
461.18219	0.8
479.18793	2.2
497.20258	3.6
511.37463	1.3
515.20691	1.1
529.31238	1.5
529.38867	24.2
530.39478	1.3
543.36816	18.2
577.34668	1.6
595.36310	1.2
613.37250	2.8
631.38397	1.2
633.37317	1.0
651.38385	1.9
687.41022	14.4
688.41687	0.9
705.42078	19.4
706.41992	1.0
902.59705	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	902.3924
Annotation	Unknow
Peak:m/z	Relative Intensity
63.42926	0.5
68.05011	3.6
70.06587	5.1
70.08380	1.0
70.08788	2.2
72.08147	5.2
84.08130	2.4
86.09677	1.0
91.05477	3.9
94.02924	3.1
96.04426	0.6
97.08250	0.6
103.05457	0.6
107.04932	1.1
108.19251	0.5
110.07145	0.8
115.79359	0.6
119.04929	3.0
121.06498	2.1
125.08131	0.5
129.10240	0.8
131.04895	1.1
133.06538	0.6
134.05989	0.7
136.07564	14.0
137.05975	1.2
142.07668	0.9
143.08607	0.8
145.06483	0.7
146.05956	1.0
147.04378	0.9
148.07567	2.4
150.05505	2.4
153.06790	0.6
157.06493	1.7
157.10098	1.6
159.08055	1.2
160.07573	3.8
161.09633	0.7
163.07533	1.3
167.08485	0.9
170.07217	5.6
172.07611	2.6
173.09561	1.0
174.09099	1.2
175.11156	2.0
176.10693	2.2
177.06664	0.9
178.04982	1.7
184.11142	0.8
185.09602	40.4
186.09950	0.7
187.11108	2.1
189.09090	2.5
190.12292	3.6
200.10690	7.2
201.11462	2.5
202.12250	100.0
203.10692	0.7
203.12479	2.7
204.13821	1.7
205.06093	10.8
205.08199	0.9
212.10587	0.9
213.09189	1.4
213.11427	0.6
214.12202	1.3
215.08151	0.7
217.13539	0.8
219.10141	1.4
219.14955	6.3
220.05981	0.8
220.13246	1.7
228.10083	1.3
229.06218	0.6
230.04482	0.9
230.11775	1.0
231.10141	5.6
243.07686	1.3
247.07118	2.5
248.10365	1.2
248.12793	14.5
249.82816	0.5
256.16864	0.7
265.15442	17.3
266.15479	0.8
271.07129	2.1
273.19547	1.0
274.17880	0.9
284.16504	0.7
295.14380	4.5
301.19122	2.1
312.17084	1.6
313.08102	6.9
318.21585	0.7
319.20142	2.5
319.80191	0.7
320.16446	2.0
322.18198	1.1
323.13782	1.6
337.19077	1.5
338.17404	1.8
340.16553	13.0
344.19556	2.9
347.19693	5.4
358.17523	3.5
365.18527	1.1
366.17139	1.5
378.14371	0.9
383.19623	3.4
386.17065	1.0
390.20343	1.2
394.20923	1.0
411.19125	8.7
411.24203	1.0
430.21082	0.9
439.23709	0.9
458.20746	1.6
464.24960	0.7
475.23248	1.7
485.24484	0.6
503.22870	1.0
507.64209	0.7
510.25949	1.2
521.23596	1.7
549.23254	2.0
557.27881	0.7
574.29584	0.7
585.26501	1.7
602.29669	32.8
603.29449	2.2
620.30597	3.2
630.29181	41.5
631.29144	1.6
648.30243	52.1
649.30304	3.3
740.28534	1.1
768.28302	2.6
821.20032	0.9
821.34851	12.8
822.34296	1.1
839.35919	1.1
849.33624	1.0
867.35669	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	901.1794
Annotation	Unknow
Peak:m/z	Relative Intensity
66.93278	0.3
69.03423	0.4
69.66306	2.4
84.96017	0.9
85.02901	0.6
89.09219	0.4
97.02836	0.6
98.97570	8.8
110.97514	2.2
116.98618	5.9
128.98598	3.6
131.00131	0.6
134.99649	2.6
136.99039	1.9
140.98599	0.9
143.00146	0.8
145.01620	0.4
146.99643	4.0
152.98546	0.6
154.93234	0.5
155.00139	9.0
158.99637	5.4
161.01158	1.9
162.93871	0.4
165.00711	0.6
170.99649	6.7
172.94241	2.6
173.01205	17.2
177.00696	4.5
179.02280	0.5
182.99620	1.1
188.04761	0.4
189.00702	8.8
189.02408	0.5
189.04358	0.6
190.95314	3.5
191.02254	4.0
195.01775	0.5
196.02898	0.5
196.94301	1.0
197.01202	7.9
201.00713	3.9
207.01814	1.0
208.96361	0.5
209.01219	1.3
214.95329	10.5
215.00168	0.6
215.02248	10.6
219.01723	6.3
221.01286	1.2
226.95238	1.7
227.02261	2.9
232.96339	4.0
233.03264	0.8
234.15990	0.4
234.95857	1.4
237.00551	0.6
237.02747	4.9
237.97021	0.4
238.03787	0.8
238.95300	1.6
239.02223	4.3
244.96368	6.2
247.04962	0.5
251.02345	0.8
252.96846	7.7
255.03789	0.6
256.96329	2.5
257.03339	4.3
258.98035	0.5
261.02878	0.7
262.97467	1.8
269.03351	1.4
270.97925	2.2
274.97437	5.8
275.02237	0.5
275.98526	0.5
276.96823	0.5
277.02496	0.7
280.96582	0.7
281.03262	0.7
286.97568	0.6
292.98550	0.6
293.35617	0.4
294.97928	0.4
298.97375	5.5
299.04337	1.7
306.97919	1.6
311.04568	0.4
312.40997	0.4
316.98459	24.7
317.04828	0.6
324.99020	0.6
334.99515	15.8
336.98929	2.1
340.00140	0.9
342.83002	0.4
358.01071	1.5
379.00058	13.1
379.04651	0.4
395.06586	0.7
396.07101	0.5
397.01102	31.2
398.01456	0.7
438.04001	0.5
455.89371	0.4
479.03796	4.4
546.47595	0.4
557.12561	0.7
558.12006	0.8
559.06287	100.0
560.06628	2.0
568.08197	0.5
750.38660	0.4
862.97015	0.5
870.30273	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	894.5265
Annotation	Unknow
Peak:m/z	Relative Intensity
63.77778	0.8
67.05508	5.4
68.99800	1.1
69.03419	8.3
69.07065	49.1
70.06577	2.4
71.04985	2.5
71.08626	2.4
71.26838	2.1
73.02922	1.9
73.06551	3.5
79.05488	1.4
81.03415	7.4
81.07046	8.6
83.04975	1.0
83.08613	72.7
84.04482	0.8
84.08130	1.5
84.08950	1.0
85.02899	13.7
85.06544	1.2
86.09700	1.1
87.00813	5.3
87.04459	13.3
89.06023	100.0
90.06368	0.9
91.05470	2.0
93.07044	1.7
95.04967	1.7
95.08598	6.9
97.02888	5.8
97.10162	18.4
99.04453	3.2
99.08092	1.5
103.07590	2.2
105.01868	3.9
105.07024	1.7
107.07069	3.4
107.08586	1.1
109.02876	6.9
109.10131	5.9
111.04496	1.0
111.11739	1.0
117.09145	2.4
119.08583	1.1
123.11726	2.5
125.13258	7.7
127.03907	8.0
130.08646	3.7
131.07040	5.7
131.62195	1.2
133.08595	77.8
134.08965	0.9
134.40443	0.8
135.62093	0.8
137.06013	1.7
139.14854	1.8
143.14331	1.0
145.04947	1.5
145.10229	1.2
157.15935	1.3
159.02856	1.7
159.11711	1.0
165.16354	1.6
167.07066	1.8
173.13095	0.8
175.09625	6.4
177.11214	40.8
179.18036	1.0
179.79544	0.9
197.19028	2.4
201.18552	3.9
219.12212	2.6
221.13837	9.7
231.05066	2.4
239.14925	3.1
241.21675	4.7
259.22519	0.9
265.16397	1.6
283.17496	5.7
285.24326	1.0
289.09320	1.4
309.18915	2.3
327.20038	4.5
345.65698	0.9
353.21652	2.3
371.22699	12.3
388.88037	0.9
397.24286	2.7
415.25363	20.3
422.59412	1.1
429.26752	1.6
435.83966	0.9
440.16324	1.1
455.28387	5.3
611.43616	12.1
612.44086	1.9
629.44720	1.8
791.35370	0.9
881.36438	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	894.3379
Annotation	Unknow
Peak:m/z	Relative Intensity
66.04729	0.1
67.05498	0.2
68.99797	0.2
69.03416	1.2
69.65731	0.4
69.66158	0.4
70.06582	0.3
71.04985	0.2
72.08142	0.1
73.02914	0.3
77.03940	0.2
78.04694	0.9
79.05482	0.8
81.03407	2.1
81.07058	0.3
83.05004	0.1
84.08125	0.1
85.02890	3.0
85.03393	0.2
86.09692	0.1
87.00818	1.1
91.05467	0.6
93.07054	0.4
95.04956	0.6
95.08573	0.1
97.02888	1.3
99.04458	0.6
103.05455	0.6
105.01839	0.8
105.07012	1.9
106.04156	0.4
107.04937	2.0
109.02858	1.4
111.04441	0.3
111.08094	0.1
115.05433	0.8
117.06992	0.8
118.04156	0.1
118.91714	0.1
119.04946	0.1
119.08587	0.3
120.10131	0.1
121.06491	0.7
122.03624	0.2
123.04414	2.9
124.05206	1.3
125.05987	0.3
127.03900	2.0
128.06239	0.1
129.01797	0.1
129.06982	0.2
131.04918	0.4
131.08553	0.3
133.06465	1.9
134.03630	0.2
135.04413	0.3
135.08080	0.2
137.05980	0.6
140.04581	0.1
141.06947	0.1
144.05688	0.3
145.04935	0.5
145.06468	1.9
147.04361	0.2
147.08041	0.3
149.05951	0.9
151.03862	0.7
151.07501	0.2
152.04660	1.2
155.06999	0.2
156.05614	0.2
157.06462	0.2
159.02933	0.5
159.08017	0.5
161.05959	2.2
163.07521	0.5
165.05449	0.2
166.06177	0.2
167.07014	100.0
168.04259	0.1
168.07346	1.8
171.07977	0.1
171.62703	0.1
173.05962	3.0
174.06642	0.1
175.07500	0.5
177.05405	0.1
179.07047	0.7
181.04929	0.2
181.06448	0.1
181.06853	0.1
181.08557	1.8
183.06404	0.1
183.07922	0.1
184.05295	0.1
187.07527	0.5
189.05455	0.1
189.09001	0.1
190.06223	1.2
191.06978	0.4
192.07779	0.2
193.08580	12.4
194.08914	0.3
195.08383	0.1
195.10117	0.5
198.06781	0.1
199.07434	0.2
202.06252	0.1
203.06998	0.5
204.07602	0.1
205.08582	4.4
207.06480	0.2
207.10135	0.8
209.08047	0.3
211.09619	13.9
212.10057	0.2
215.06946	0.2
217.08569	2.0
219.08173	0.1
219.10127	0.7
221.08087	0.4
223.09540	0.5
227.06944	0.1
228.75090	0.1
231.04936	0.2
231.08012	0.1
231.10182	0.2
233.08009	0.3
235.07376	0.2
235.09607	1.9
239.09163	0.3
241.08545	0.2
247.09569	0.7
248.07884	0.1
249.11252	0.3
251.09056	0.6
253.10670	0.5
259.09549	0.2
265.10660	1.8
269.07983	0.3
271.09561	0.3
273.11160	0.2
275.09198	0.1
277.10629	0.3
277.38727	0.1
283.09625	0.2
289.10602	0.2
291.09897	0.1
295.11639	0.3
301.10675	1.0
308.10751	0.1
308.18997	0.1
311.05380	0.1
315.08524	0.3
319.11777	1.8
325.10513	0.1
330.10959	0.6
331.11514	0.3
337.12708	0.3
339.12329	0.2
351.12115	0.3
369.13214	0.2
371.14655	0.2
383.14871	1.5
384.14706	0.1
385.16418	0.2
401.15915	2.1
405.11652	0.3
417.15213	0.2
423.12607	0.4
441.14145	0.2
455.66470	0.1
457.19614	0.1
599.24701	0.1
611.24512	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	888.5346
Annotation	Unknow
Peak:m/z	Relative Intensity
62.06081	23.2
67.05498	3.2
69.07065	2.9
71.08250	0.8
71.08620	12.4
74.72220	0.5
81.07035	4.0
83.08589	3.2
85.10175	6.1
89.06007	0.9
95.08584	5.9
97.10152	1.9
98.21486	0.8
98.98456	3.1
109.10128	3.2
123.11655	1.2
124.01586	1.6
127.39697	0.5
142.02591	1.2
155.01036	4.3
171.72760	0.5
173.02103	0.7
198.05295	1.4
216.06271	2.5
229.05858	0.6
239.23494	0.8
282.27866	11.2
313.27316	100.0
314.27649	2.1
343.08014	0.6
393.23990	8.0
436.28226	22.9
454.29251	25.4
538.40973	0.6
769.24493	0.6
804.36731	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	886.397
Annotation	Unknow
Peak:m/z	Relative Intensity
68.05029	2.1
70.06580	17.6
71.74640	1.8
71.75092	3.2
72.08134	7.9
84.04476	2.7
84.08121	2.9
86.09688	13.5
91.05469	3.7
94.02942	3.4
104.39941	2.2
120.08092	2.4
121.06518	3.0
134.05972	2.5
136.07553	16.3
137.05943	3.1
157.10027	3.5
160.07539	4.5
170.07262	7.1
175.11131	2.5
177.09029	2.4
185.09595	39.2
187.11156	3.4
189.09045	3.8
190.12251	4.6
200.10641	7.4
202.12245	100.0
203.12636	2.4
204.13747	2.8
219.14871	5.1
231.10092	5.5
248.12816	13.9
265.15463	20.0
295.14334	3.7
302.18732	2.3
333.65836	2.0
337.18787	2.3
340.16495	11.9
344.19382	3.0
347.19675	6.1
358.17456	6.2
383.19580	2.7
411.19513	10.9
418.40894	2.1
510.25644	3.1
549.23175	3.9
602.29620	36.4
609.18787	2.2
620.30524	4.5
630.29205	44.0
648.30182	58.6
649.30359	5.5
827.97876	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	885.5507
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07053	3.7
71.08614	1.2
71.75565	1.9
79.66668	0.8
83.08596	0.8
96.04282	0.8
97.10181	1.0
152.59904	0.9
375.16010	1.1
389.17590	2.7
390.18369	1.1
391.18851	1.0
402.18457	1.2
403.19254	2.9
404.20120	1.4
405.20987	1.7
416.16016	1.5
417.16776	3.6
417.20734	4.0
418.17349	1.0
418.21912	1.4
419.22537	8.4
430.17615	1.8
431.18298	8.8
432.19235	2.7
433.20206	2.7
445.20392	8.4
446.21057	7.0
447.21738	8.6
459.17245	1.7
459.22525	1.3
461.19144	1.3
473.19156	5.1
474.20364	8.0
475.21103	9.3
476.21930	1.0
478.23413	1.1
487.21204	2.8
491.20905	1.0
501.22687	1.0
505.21994	1.6
519.23962	14.6
533.21710	1.3
546.22137	1.7
547.23340	100.0
548.23651	6.3
575.23053	1.7
579.25916	10.7
606.24603	14.2
607.25427	77.8
608.25659	3.8
610.62000	1.0
757.87335	0.9
857.55206	6.5
885.38995	1.2
885.55042	18.1
886.55261	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	885.3655
Annotation	Unknow
Peak:m/z	Relative Intensity
68.04683	0.8
68.05025	10.0
69.05806	11.5
69.61162	2.4
69.61591	3.0
70.06588	14.3
72.07762	0.8
72.08150	15.8
79.05482	1.0
80.05004	0.7
82.06568	1.3
84.08120	2.2
86.09698	0.8
91.05459	3.5
91.98132	0.6
95.02698	0.6
96.04504	1.2
96.08108	1.2
100.07613	0.8
105.07040	1.8
107.04952	2.5
110.06015	0.8
110.07156	0.7
113.07113	3.3
114.05553	0.8
115.05399	1.4
117.06979	0.9
119.04938	2.5
120.04430	1.0
120.08049	1.1
121.06497	1.6
122.09653	8.5
123.05589	1.3
125.07143	1.3
127.08635	0.9
129.06996	2.0
129.10260	0.7
131.04933	1.6
131.07315	1.7
131.08577	1.1
132.08084	5.2
133.06491	2.4
134.05994	12.8
135.06775	3.4
136.07567	6.4
137.05992	1.3
138.05490	2.1
139.08691	0.9
139.98463	0.7
143.08479	1.0
145.06509	4.3
146.05995	3.5
147.04410	1.5
147.08057	1.2
148.03931	5.3
148.07541	3.4
149.05977	0.8
157.06517	2.5
157.10152	3.5
159.08055	7.0
160.07544	5.7
161.05960	1.8
161.09618	3.6
163.07545	2.1
166.04987	12.4
167.08543	1.9
169.06485	0.9
170.07239	4.6
171.08025	2.0
172.11221	1.3
173.08366	0.9
173.09587	3.1
174.09131	42.0
175.09560	1.0
175.11205	3.0
176.10699	3.5
177.05400	0.8
177.09085	2.2
178.04993	1.0
181.04976	0.8
184.07593	2.4
185.06047	1.4
185.09604	30.5
186.09076	9.5
186.12688	1.4
187.11194	5.2
188.10724	3.4
189.09081	13.8
189.10616	1.1
190.12234	5.1
192.06552	1.7
194.04399	3.8
194.08124	1.2
195.08192	0.9
199.09953	0.9
200.10693	10.6
201.11501	3.0
202.12251	67.2
203.06989	0.9
203.11842	18.5
204.13857	2.1
205.08592	1.4
206.08228	0.9
208.06071	1.5
212.10721	2.1
213.09164	2.7
214.08742	0.8
214.12276	2.5
216.10526	0.6
217.09688	0.7
217.13353	1.7
219.10165	1.5
219.14938	4.2
220.09926	0.8
220.13341	3.7
226.12393	1.4
227.13120	1.1
228.10344	0.8
228.13733	1.1
229.13211	0.9
230.11748	5.4
231.10114	18.7
233.12857	1.4
235.14392	0.8
236.05566	6.4
236.12831	1.0
243.07713	1.2
245.09219	2.0
246.11258	1.3
247.14592	1.6
248.12631	23.8
252.13858	2.4
253.14551	1.6
254.15463	1.3
256.17035	0.9
257.16486	2.7
259.10828	2.7
261.08771	2.9
265.15448	20.0
265.18265	1.2
269.16519	1.9
270.17319	2.0
271.07169	1.8
271.17731	1.3
272.05463	0.7
272.16599	1.6
273.19690	1.8
274.18027	0.9
275.13992	3.1
280.13412	1.0
287.10229	2.0
289.08145	9.5
293.14859	5.3
297.16031	2.3
299.17694	0.9
302.18683	4.1
303.13364	0.8
314.18716	2.1
315.16916	1.6
317.18512	1.0
318.15207	0.8
319.20187	3.4
320.16580	1.0
321.14456	3.8
325.15506	2.1
326.16000	1.0
329.18649	1.4
331.09235	5.0
331.12595	0.9
337.18976	1.2
342.18097	2.2
346.21347	1.5
347.19739	5.3
358.17886	1.9
359.16238	1.7
360.19159	11.4
364.22159	1.6
368.23239	1.2
374.20554	0.8
383.19986	1.0
385.90552	0.7
387.20456	6.1
388.18610	1.4
389.22302	1.2
392.21484	1.3
404.18359	1.1
404.23093	3.2
411.19098	2.5
415.19730	0.8
420.21359	1.7
421.21182	1.4
432.22754	13.3
433.21167	0.8
434.24469	2.5
449.20871	2.6
450.23846	2.8
460.22366	9.2
477.25000	2.7
478.23318	9.7
479.23605	0.8
486.27734	0.9
488.22040	1.4
495.26080	2.8
505.24542	1.5
506.22815	5.4
522.22314	1.4
523.25537	12.7
531.29535	5.8
533.23608	1.3
551.24976	26.6
555.28284	2.9
559.29340	5.1
561.30939	1.8
565.06006	0.9
576.31818	1.9
577.30084	3.1
578.33221	1.0
587.28613	59.9
588.28961	2.2
594.33411	0.7
604.31403	6.4
605.29785	5.0
606.82489	0.8
621.29437	1.4
622.32288	27.1
623.32446	1.3
632.30743	8.3
650.31775	100.0
651.31989	3.1
680.44006	0.7
758.30737	1.4
839.35895	15.2
840.34363	0.9
885.37317	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	884.4107
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03926	1.9
67.05499	21.2
69.03419	6.2
69.07058	8.0
69.80382	4.8
70.06575	2.8
70.83200	0.7
71.01348	1.0
71.04964	2.0
71.72179	0.7
73.02902	3.1
73.06561	0.8
74.90794	0.9
79.05482	21.0
81.03400	6.3
81.07047	44.6
83.01328	1.2
83.04970	4.0
83.08601	6.2
84.08146	0.9
85.02895	10.7
85.06530	1.7
86.09705	1.3
91.03941	6.4
91.05467	21.8
93.07032	16.3
95.01321	4.1
95.04958	7.5
95.08594	14.8
95.45017	0.7
97.02879	5.7
97.06519	3.7
97.10143	1.9
99.08098	1.1
101.02345	1.0
103.05465	1.9
105.07012	18.3
107.04947	6.7
107.07909	1.0
107.08582	11.5
109.02847	1.9
109.06506	11.0
109.10136	5.3
111.04403	1.2
111.08066	2.3
113.02362	0.8
113.05981	0.7
115.05450	2.7
116.06224	0.8
117.07010	9.0
119.04928	2.0
119.08569	14.7
121.02847	0.9
121.06501	4.8
121.10130	9.3
123.04438	1.7
123.08052	3.9
123.11670	4.0
124.27432	0.6
125.02362	1.7
125.09641	2.6
127.03917	2.9
128.06201	2.5
129.06993	7.6
131.04927	3.1
131.08549	12.0
133.06477	3.9
133.10110	8.2
135.04437	1.4
135.08003	3.7
135.11699	4.0
137.02348	0.7
137.05956	1.6
137.09612	1.7
139.03868	1.7
139.11090	0.7
141.01807	3.0
141.06966	4.1
142.07782	2.4
143.08574	5.8
145.04994	1.9
145.06441	4.7
145.10115	8.6
147.04404	2.5
147.08061	4.9
147.11661	14.4
149.02327	1.8
149.05968	2.3
149.09593	5.9
149.13239	1.7
151.03839	1.6
151.11221	1.3
153.06972	1.1
154.07735	1.1
155.08479	4.6
156.09297	0.8
157.06502	4.1
157.10123	5.6
158.07310	0.8
159.04454	1.7
159.08041	6.6
159.11638	4.5
161.05974	3.0
161.09637	3.0
161.13210	1.9
163.03893	4.3
163.06012	3.0
163.07433	1.6
163.11172	4.8
163.14839	0.7
165.05542	1.3
165.06937	1.1
165.12773	4.7
167.07123	0.8
167.08545	2.3
169.06500	1.7
169.10109	4.1
171.04414	1.7
171.07968	5.1
171.11670	2.4
173.05946	3.6
173.09662	4.3
173.13171	2.2
175.03886	2.8
175.07512	3.3
175.11203	3.0
177.05472	3.3
177.09088	2.0
177.12657	1.1
179.08492	1.7
181.06517	0.9
181.10107	2.8
182.07291	1.1
183.08067	3.0
183.11702	3.0
185.05977	3.2
185.09579	4.0
187.03903	3.8
187.07492	3.8
187.11179	2.7
189.05464	4.3
189.09137	3.3
189.12712	0.8
191.03383	0.9
191.07050	1.4
191.08659	0.9
191.10718	1.2
193.10193	1.4
193.12170	1.2
195.08054	1.7
195.11671	1.8
196.08891	1.0
197.06020	1.4
197.09644	3.3
197.13226	1.0
199.03908	5.1
199.07541	3.0
199.11192	2.6
201.05484	3.2
201.09102	4.5
201.12718	0.8
203.07024	4.4
203.08719	0.9
203.10693	0.9
205.08556	2.0
207.11794	1.5
209.09604	1.9
209.13184	0.9
210.10245	0.8
211.07529	2.5
211.11205	2.3
211.13120	1.0
212.08223	1.2
213.05438	5.5
213.09048	5.5
215.07016	3.7
215.10703	2.0
217.04955	2.2
217.08578	5.4
219.13670	0.8
221.09633	1.1
223.11192	2.4
225.05498	2.0
225.09070	3.7
225.12738	1.5
227.06960	3.3
227.10670	3.8
229.04922	1.4
229.08502	3.7
229.12236	1.1
229.14301	1.0
229.19643	0.9
231.06493	1.4
231.10132	2.0
233.07948	0.9
235.05930	1.8
235.11169	0.9
237.09128	1.5
237.12801	1.1
239.06975	1.7
239.10683	2.4
241.08545	6.6
241.12267	1.5
243.06480	0.8
243.10175	2.3
247.20616	1.3
251.10805	1.1
251.14378	1.2
253.08636	2.8
253.12300	1.4
253.16077	0.8
255.10179	2.8
257.11642	1.1
257.18979	1.9
263.14368	0.8
267.10181	1.7
267.15720	3.3
269.11807	1.6
271.09598	1.0
273.18509	1.0
275.20041	15.8
279.17334	0.8
281.11697	1.9
285.11227	1.1
285.17099	1.9
295.16879	0.9
299.12802	1.2
301.14178	0.9
309.18494	1.5
311.12720	2.1
313.17908	1.0
323.20129	1.1
327.19507	3.7
333.18512	0.9
337.18069	1.3
339.19479	1.0
341.21124	1.0
345.13492	1.5
349.18033	0.8
349.23608	2.3
351.19592	4.7
353.21249	1.1
355.18884	2.8
361.18149	0.8
367.18991	11.4
369.20636	3.1
379.19083	8.3
387.21548	2.2
397.20074	14.0
415.21069	22.7
419.16537	0.8
429.22729	1.8
433.22159	14.1
437.17902	1.4
441.22662	27.1
447.23770	3.2
451.23248	8.8
453.22467	2.8
459.17249	1.4
459.23706	23.7
460.24146	1.5
461.28885	2.9
471.17029	0.8
471.23685	14.7
475.27179	0.9
488.65875	0.7
489.24805	32.6
507.25867	100.0
508.26151	3.1
525.26910	57.6
526.27612	1.8
651.30334	1.3
669.31421	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	884.4111
Annotation	Unknow
Peak:m/z	Relative Intensity
63.23918	0.7
65.03928	1.6
67.05500	16.6
69.03427	4.9
69.07065	6.7
70.06593	4.4
71.01331	1.5
71.04975	2.1
71.73245	1.3
72.08171	1.0
73.02901	3.1
73.03269	0.8
79.05492	14.6
81.03418	5.1
81.07053	32.4
83.01302	1.1
83.04961	3.6
83.08612	9.2
84.08131	0.9
85.02900	10.4
85.06520	1.6
86.09708	1.9
91.03938	4.5
91.05468	15.8
93.07039	13.3
95.01317	6.4
95.04962	6.1
95.08600	12.0
97.02879	5.8
97.06532	3.5
97.10188	3.5
99.08055	0.9
103.05450	1.5
105.03384	1.4
105.07018	15.5
107.04976	4.7
107.08591	10.1
109.02898	1.5
109.06514	8.1
109.10136	6.6
111.04497	1.4
111.08087	2.3
113.02344	0.9
115.05439	1.4
116.07087	0.8
117.07007	6.7
119.04910	1.2
119.08562	12.6
120.08118	0.7
121.02878	0.9
121.06503	4.0
121.10134	7.7
123.04415	2.0
123.08040	3.8
123.11720	3.0
125.02354	1.7
125.09637	2.0
127.03905	2.5
128.06261	2.2
129.05498	0.8
129.07008	6.2
131.04924	2.7
131.08549	11.5
133.06493	2.4
133.10123	7.9
135.04434	1.5
135.08038	3.0
135.11665	3.4
137.02333	0.8
137.06010	1.5
137.09615	2.0
139.03879	1.5
139.11189	0.8
140.44118	0.8
141.01805	3.4
141.07001	2.6
142.07773	1.5
143.08493	4.0
145.04927	1.2
145.06487	3.9
145.10110	8.1
147.04404	2.2
147.08055	4.3
147.11671	9.5
149.02362	1.8
149.06000	2.3
149.09579	5.3
149.13228	1.8
151.03897	1.4
151.11201	1.3
153.07051	1.0
155.08549	3.4
157.06500	2.1
157.10132	4.9
159.04396	0.9
159.08015	4.3
159.11687	4.0
161.05997	3.1
161.09656	2.8
161.13177	0.9
163.03906	4.2
163.05998	2.0
163.07487	1.0
163.11157	3.0
165.07022	2.0
165.09106	1.1
165.12749	3.7
166.07738	0.8
167.07057	1.2
167.08574	2.1
169.04909	1.1
169.06404	1.5
169.10133	4.4
171.04387	1.4
171.08061	3.3
171.11682	3.2
173.05989	3.0
173.09618	3.9
173.13283	2.0
175.03903	2.6
175.07545	2.0
175.11237	2.7
177.01791	1.6
177.05446	1.8
177.09041	1.1
177.12752	1.3
179.08621	1.9
181.04971	1.4
181.06445	0.9
181.10138	2.3
183.08087	1.9
183.11745	1.9
185.05956	2.0
185.09625	3.6
185.13266	2.1
187.03976	3.0
187.07565	3.3
187.11168	3.4
189.05486	3.1
189.09125	2.5
189.11032	0.7
191.03384	1.2
191.06958	1.3
191.08568	0.9
193.10112	1.3
193.12291	1.1
195.08052	1.2
195.11708	1.1
197.09653	2.3
197.13281	1.0
198.06679	0.8
199.03894	2.1
199.07550	3.5
199.11218	3.4
201.05492	2.9
201.09109	3.2
203.06985	1.8
203.10765	1.7
205.05051	0.9
205.08577	2.1
207.08232	1.1
211.07607	2.5
211.11197	2.5
213.05511	2.3
213.09149	2.2
215.10675	2.9
215.14323	1.2
217.05052	1.7
217.08566	2.7
219.10095	1.1
221.04608	1.2
221.09453	0.8
223.11249	1.5
225.09148	2.6
225.12758	1.5
227.07045	2.6
227.10710	2.7
229.08675	3.2
229.12224	1.1
229.14381	1.4
229.19588	1.2
231.10155	0.9
235.05878	4.3
235.11128	1.0
237.09189	0.9
239.10698	2.8
239.18065	1.2
241.08653	3.5
241.12253	1.8
243.10153	4.4
245.11681	2.1
247.05879	0.9
247.20589	1.5
253.08545	1.4
253.12401	2.1
255.10136	2.4
257.11752	0.9
257.19043	2.2
259.09711	1.1
261.07611	1.6
261.11188	1.5
267.10208	1.8
269.11700	1.8
269.18887	0.8
271.09689	1.6
275.20032	10.3
281.11700	2.0
283.13135	1.0
287.12885	0.9
289.10742	1.8
299.12766	2.1
303.12433	1.5
307.11731	1.4
309.18445	0.9
311.12878	1.0
315.12442	0.8
315.19962	0.9
317.13940	2.1
325.12830	4.4
325.17764	1.0
327.12234	1.7
327.19565	2.7
329.13818	0.9
333.13391	2.0
333.18314	1.1
337.17966	0.9
341.17575	1.3
345.13416	4.2
347.14813	2.4
349.17862	0.9
349.23843	2.5
351.19614	2.7
355.19040	3.0
357.16830	1.0
361.17874	0.9
363.14349	1.4
367.19067	5.1
369.20737	2.2
379.19092	5.6
397.20172	11.3
415.21121	43.2
419.16898	3.0
429.22778	1.3
433.22192	17.4
433.27811	1.1
437.18027	6.1
441.22729	25.6
442.22961	1.3
451.23282	13.1
453.22876	1.8
459.23932	5.0
471.23901	11.8
472.24081	1.0
489.24826	47.4
490.25217	1.7
507.25894	66.7
508.26462	2.4
525.26959	100.0
526.27216	2.6
543.28046	2.6
651.30151	1.3
669.31378	2.4
687.32233	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	883.3854
Annotation	Unknow
Peak:m/z	Relative Intensity
68.05018	8.4
69.03376	1.0
69.05795	8.4
70.06582	18.7
72.08150	14.1
76.04604	0.8
82.06571	2.0
84.08094	1.1
86.09696	4.4
91.05466	3.0
95.75086	0.9
97.07622	1.2
98.20718	1.9
107.04943	3.0
113.07107	3.6
119.04922	2.5
120.08073	6.9
121.06445	2.3
122.09641	7.8
123.05531	1.5
123.10382	1.3
129.06964	1.3
131.04901	1.3
132.04431	4.1
132.08107	4.8
133.06474	2.8
134.06001	11.1
135.06802	4.2
136.07568	7.9
137.05927	2.6
145.06471	3.5
146.06004	3.5
147.04402	2.7
148.07549	2.7
157.06377	3.9
157.10114	2.7
159.08061	6.6
160.07553	4.2
161.05962	1.6
161.09650	2.7
163.07562	2.3
164.07054	18.6
167.08594	1.4
169.09830	1.2
170.07288	3.5
171.08003	2.8
172.07582	1.2
173.08350	1.0
173.09653	2.3
174.09125	39.8
175.11153	3.7
176.10718	3.1
177.09125	1.5
179.06982	1.6
184.07545	2.2
185.06062	1.2
185.09613	25.3
186.09084	9.0
186.12601	1.3
187.11185	4.6
188.10718	3.3
189.09071	13.7
190.12196	4.9
200.10712	9.7
201.11482	2.7
202.12247	58.6
203.11790	15.2
204.13864	2.4
205.08632	1.2
206.08157	2.0
211.14415	1.2
212.10617	1.3
213.08966	2.1
214.08598	1.3
214.12270	1.5
217.13359	2.1
219.10123	1.9
219.14882	6.6
220.09828	1.2
220.13275	3.6
228.10277	1.3
228.13620	1.3
230.11676	5.3
231.10059	15.3
233.12827	1.2
234.07649	4.9
236.12842	1.2
246.11287	1.3
248.12611	21.9
249.13089	1.3
252.13882	1.1
253.14618	1.5
255.07619	1.6
257.16412	1.5
259.10767	5.8
265.15466	20.5
266.15649	1.1
269.16373	1.1
270.17175	1.4
273.19467	1.2
275.13953	2.2
287.10178	8.4
293.14966	8.0
297.15948	2.7
302.18506	3.6
314.18689	1.5
315.16989	1.6
317.18719	1.3
318.14673	1.1
318.21579	1.9
319.20059	3.1
321.14459	3.2
325.15457	3.3
328.19794	1.2
329.11292	3.6
346.21124	2.0
347.19888	3.9
358.17719	2.5
359.16144	1.7
360.19235	10.9
374.20944	1.8
375.19485	1.7
383.19296	1.5
387.20624	3.7
389.22461	1.4
389.32504	1.1
392.21851	2.7
404.23407	2.1
411.19131	2.7
420.21204	1.8
432.17337	1.2
432.22806	13.2
434.24573	2.1
449.20456	2.9
450.23804	3.7
460.22195	10.8
477.24722	2.6
478.23386	9.4
488.21524	1.7
495.26007	3.5
505.24451	2.4
506.22632	4.8
510.25919	1.5
522.22156	2.3
523.25525	11.1
531.29462	6.9
533.23962	1.2
534.22430	1.6
551.24945	26.5
559.29169	5.2
576.31604	1.1
577.30200	2.9
578.32428	1.3
587.28552	63.9
588.28461	2.2
604.31427	5.8
605.29877	5.4
621.28479	2.1
622.22266	2.0
622.32275	28.9
632.30591	7.9
650.31750	100.0
651.31683	3.3
778.34106	1.1
837.38257	11.4
865.37476	1.7
883.38812	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	880.6193
Annotation	Unknow
Peak:m/z	Relative Intensity
65.66013	1.4
67.05486	3.0
69.07056	2.7
70.56505	3.0
70.56889	3.3
71.04972	2.1
71.08627	55.9
73.02901	2.0
73.06545	5.4
76.81267	1.4
79.05462	1.5
81.03426	1.6
81.07041	2.9
83.08636	1.8
85.10176	31.9
87.04464	26.2
89.06024	100.0
91.05465	2.5
92.47437	1.3
99.66521	1.7
103.07569	6.2
103.60788	1.3
107.07044	2.8
113.06020	2.6
117.09098	5.5
127.14806	3.3
130.08653	3.9
131.07063	8.6
132.02911	1.5
133.08594	73.1
161.11739	2.6
175.09642	5.2
176.25627	1.5
177.11211	26.3
185.19012	3.7
221.13814	5.4
229.21593	3.5
278.67142	1.3
283.17435	3.0
327.19888	1.4
679.40546	2.1
686.32062	1.4
728.85852	1.6
791.35443	1.5
880.61554	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	878.64
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02487	1.4
69.07059	1.6
71.08623	99.0
71.43153	1.6
71.75322	1.7
81.07054	1.7
83.08605	3.5
85.10172	100.0
87.04456	18.0
89.06019	69.4
91.05452	1.8
93.06983	1.7
95.04943	1.9
99.11709	12.4
101.09634	2.7
103.07552	2.1
107.07037	3.0
110.27898	1.5
117.09115	16.5
122.38143	1.7
130.08626	3.2
131.07022	4.0
133.08597	52.3
141.16385	9.0
175.09613	3.8
177.11215	20.0
180.46480	1.6
199.20569	21.0
221.13882	2.3
240.23273	2.3
257.24704	19.9
283.17700	2.4
293.21112	3.6
547.32642	5.0
612.56006	1.6
828.31769	1.7
878.62970	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	878.4003
Annotation	Unknow
Peak:m/z	Relative Intensity
61.74695	0.2
65.03928	1.5
67.05496	15.4
68.05810	0.2
69.03407	0.6
69.07045	0.3
70.06573	0.2
70.30956	0.4
70.31351	0.3
71.04983	14.5
83.08618	0.2
85.06534	1.3
95.04954	41.7
96.05289	0.5
113.05989	100.0
114.06324	1.3
131.07028	0.3
154.08627	0.2
155.07013	1.5
173.08076	5.7
189.54503	0.2
215.09154	0.9
225.11192	15.0
226.11632	0.2
246.22722	0.2
267.12268	0.6
271.06342	0.2
285.13297	23.3
286.13596	0.9
327.14450	0.3
337.16394	3.0
345.15381	0.6
387.16342	0.2
397.18591	2.4
398.19290	0.1
426.96735	0.2
447.06628	0.2
457.20679	4.1
484.64551	0.2
509.23737	1.2
530.56238	0.2
569.25806	0.5
618.54205	0.1
618.65845	0.2
623.42664	0.2
629.27533	0.3
681.30792	0.3
699.38995	0.2
741.33142	0.3
878.48499	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	878.6398
Annotation	Unknow
Peak:m/z	Relative Intensity
66.05872	1.2
66.13248	1.1
67.05480	1.9
69.07049	2.7
71.08624	85.9
71.76347	1.6
73.02906	3.2
73.06545	4.6
83.08607	2.7
85.10175	81.5
87.04460	21.9
89.06023	100.0
97.10181	3.0
99.11716	15.7
101.09664	1.6
103.07584	2.4
107.07063	4.9
113.13274	6.0
117.09129	7.0
130.08633	6.2
131.07071	7.1
133.08597	83.5
144.91536	1.3
146.76242	1.3
155.17935	11.0
161.11726	1.8
175.09615	4.4
177.11217	34.9
213.22113	16.3
219.12161	1.6
221.13887	6.4
239.14787	1.6
271.26233	7.3
283.17480	2.8
327.19971	2.3
441.26627	1.3
591.35840	6.1
611.69989	1.3
878.62579	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	878.2172
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02922	2.7
65.76767	0.3
68.99783	2.7
69.03421	15.9
69.95409	1.8
70.06575	0.8
71.01330	0.7
71.04970	1.4
73.02905	2.9
76.33723	0.3
79.05468	1.1
80.04991	0.3
81.03409	18.4
83.01316	0.4
84.04485	0.8
85.02895	21.5
87.00816	9.3
87.04424	0.4
91.03925	0.6
91.05473	2.0
95.04935	0.6
96.04453	0.5
97.02882	9.5
98.06046	0.7
98.20628	0.3
99.04444	5.2
103.03928	3.4
103.05448	4.2
105.01843	4.8
105.03366	0.4
106.06541	4.5
107.04926	1.1
108.04438	1.3
109.02865	19.6
114.38901	0.3
115.03900	0.7
115.05420	0.4
116.04967	0.7
117.01821	1.7
117.05761	0.4
117.07011	0.6
118.06531	3.6
120.08096	0.5
124.03942	0.9
125.02349	0.6
126.05501	3.2
127.03899	18.0
128.03387	0.5
129.01826	3.1
130.06512	10.3
131.04913	0.4
132.04445	0.7
132.08075	0.8
134.05995	9.3
142.06479	0.4
144.06543	0.5
144.08058	3.2
145.04947	4.1
146.06041	1.7
147.02867	1.7
152.07043	0.9
154.61203	0.3
158.05997	100.0
159.02875	4.8
159.06375	1.8
160.07574	1.6
168.08099	0.8
170.06042	0.5
171.02757	0.6
172.07550	4.3
176.07057	15.4
184.07465	0.5
186.05501	0.6
186.09082	0.8
187.05927	0.8
188.07053	4.1
189.03932	1.4
196.07596	0.9
200.05330	0.6
200.07045	7.1
213.03915	1.4
214.08614	1.5
218.08099	1.3
224.07129	0.8
230.06407	1.6
231.04910	2.6
242.08127	2.6
260.09058	1.8
273.06119	0.7
284.09207	0.5
296.11301	1.5
320.11227	0.6
338.12271	3.1
346.09348	1.4
364.10190	4.4
382.11292	55.7
383.11646	1.2
423.14523	0.4
424.12146	1.8
544.16577	1.9
586.17505	3.0
612.15344	1.1
630.16541	27.3
631.16711	0.7
636.25903	0.4
792.21521	1.4
834.22809	0.9
878.21912	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	877.3741
Annotation	Unknow
Peak:m/z	Relative Intensity
66.99461	0.7
70.06579	2.2
72.08157	0.8
79.05461	0.8
81.07026	0.8
91.13654	0.7
98.21259	3.4
99.00392	0.7
103.05494	1.3
109.05149	0.6
120.08080	4.7
121.08464	0.9
122.03674	0.7
137.05971	5.3
151.07501	1.1
161.05884	0.8
175.07541	0.9
185.09616	0.9
187.07617	0.9
204.06392	1.2
212.06816	2.0
241.13068	9.5
241.15112	0.7
242.11522	1.6
269.27957	0.7
287.13773	3.2
295.10516	1.3
297.12192	2.2
309.11514	0.8
310.12125	0.8
313.11554	0.8
323.09866	7.2
340.20038	1.7
341.11188	1.8
376.82413	0.8
380.15985	1.3
386.20535	6.3
412.18729	1.3
504.24753	1.2
541.24451	1.1
549.26758	5.9
569.24109	1.7
577.27185	1.6
587.24774	4.6
640.31049	1.4
644.40363	0.8
652.27289	1.3
686.31329	1.5
849.37720	5.3
859.34790	1.1
877.37329	100.0
878.37732	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	875.3576
Annotation	Pusilatin E
Peak:m/z	Relative Intensity
63.24894	1.6
65.02247	2.0
70.06593	3.6
73.83900	1.6
92.62727	1.6
98.20670	4.4
118.06554	4.0
126.82127	1.6
144.23460	1.6
181.04396	1.6
229.90985	2.1
237.03346	1.8
241.13029	15.1
262.88278	2.0
287.13782	5.6
295.10449	3.2
321.08377	10.3
386.20779	6.9
394.48151	1.8
542.05603	1.7
549.27148	7.6
577.26471	2.9
585.23401	2.8
642.28851	3.2
670.28595	2.5
847.36060	6.6
875.35815	100.0
876.36151	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	876.4582
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02917	6.6
65.03922	2.3
67.05499	21.0
68.71210	0.5
69.03423	29.7
69.07058	1.8
70.06586	5.7
70.16978	3.0
71.04986	8.7
72.08162	0.6
73.02905	2.9
79.05490	12.3
81.03412	7.2
81.07055	6.8
81.98148	0.6
83.04975	3.7
83.08609	1.1
84.04488	0.6
84.08146	1.5
84.17024	0.5
85.02896	70.5
85.06535	8.1
86.03230	0.6
86.09690	2.3
87.04472	3.5
91.03946	3.7
91.05460	8.1
93.07028	6.1
95.04958	44.2
95.08587	5.0
97.02882	23.0
97.06528	10.2
99.04460	3.8
101.02361	0.7
101.06018	0.7
103.03935	0.7
103.05440	1.1
105.07014	14.0
107.04936	1.8
107.08585	41.5
109.02869	6.7
109.06498	2.8
109.10152	1.6
111.04449	1.8
113.05995	93.0
114.06303	1.4
115.03915	0.6
115.05442	1.1
116.07097	0.8
117.07020	4.5
119.04923	0.8
119.08569	6.3
120.08115	0.8
121.06487	1.9
121.10146	4.9
122.03717	0.7
122.06046	0.8
123.04428	0.9
123.08092	1.2
125.09565	0.6
127.03906	18.3
127.04848	0.9
128.06178	0.8
129.07008	2.7
130.07776	1.2
131.04921	1.8
131.08565	15.7
133.06505	1.4
133.10109	8.0
135.08040	1.7
135.11659	3.8
137.05901	3.7
137.09602	0.6
139.07536	0.6
141.07018	1.0
143.08560	6.0
145.04950	25.7
145.06602	1.1
145.08611	12.7
145.10115	26.1
147.04402	1.1
147.08058	1.8
147.11659	11.1
149.05977	1.0
149.09604	3.1
149.13274	1.0
151.03954	1.0
151.07545	1.1
155.08469	1.2
157.10091	5.4
159.08072	1.4
159.11684	8.7
161.05971	1.0
161.09637	3.9
161.13219	1.9
163.06018	7.8
163.07397	1.0
163.11229	2.2
165.09138	0.8
165.12788	2.3
167.07016	6.3
167.08327	0.9
169.10065	2.0
171.07994	0.6
171.11699	4.4
173.05841	0.7
173.09608	20.0
173.13292	2.7
174.09987	0.7
175.07498	1.4
175.11189	6.8
177.05363	0.7
177.12721	3.4
179.06967	0.7
181.04956	1.1
181.09998	0.8
183.11717	1.9
185.09622	0.7
185.13268	1.6
187.11108	3.2
189.07559	2.8
189.09093	1.5
189.12758	1.8
191.06973	0.6
191.10649	12.6
191.14307	3.5
193.08650	0.7
195.11699	1.3
197.13252	1.6
199.14844	1.7
203.10704	1.7
209.08098	0.6
209.13365	0.9
209.15379	0.9
211.11256	1.0
211.14822	1.4
213.16365	0.9
215.10736	2.1
215.38982	0.7
221.13248	0.7
223.11324	0.6
223.14972	0.7
225.16475	0.8
229.12289	1.6
239.09138	2.5
243.13806	1.0
253.19492	12.8
257.10168	6.8
261.14722	0.8
269.69980	0.6
271.20523	11.9
275.11316	2.1
277.19370	1.3
289.09088	1.1
289.21634	2.9
291.21051	2.4
295.20569	1.1
301.19629	1.4
309.22220	2.6
313.21423	0.8
319.20566	5.7
325.11237	10.3
327.22885	0.8
337.21564	20.6
338.21902	0.9
355.22641	29.9
356.22995	1.9
373.23703	73.4
374.24155	3.4
391.24756	100.0
392.25070	5.2
409.25797	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	872.418
Annotation	Unknow
Peak:m/z	Relative Intensity
62.29538	0.3
68.05025	4.0
70.06584	2.4
72.08142	5.1
80.04961	0.4
82.06568	0.5
84.08112	0.9
86.09682	0.4
91.05475	3.1
94.02905	2.3
96.04469	1.1
102.68223	0.4
107.04916	1.3
111.05556	0.4
119.04951	2.5
120.08080	4.4
121.06479	2.0
131.04918	0.6
131.07173	0.4
132.08104	0.4
133.06470	0.6
134.06010	0.7
135.06773	0.6
135.87390	0.4
136.07570	14.6
142.07791	0.6
143.08549	0.7
144.05656	0.5
145.06479	1.1
146.05969	1.4
147.04347	0.7
147.06836	0.4
148.07541	2.1
157.06490	1.6
157.10109	1.9
159.08011	2.2
159.11652	0.6
160.07579	4.2
161.09615	1.2
163.07410	0.6
167.08531	1.0
170.07243	5.4
171.07956	0.5
172.07501	2.6
173.09560	1.8
174.09135	1.2
175.11166	2.2
176.10672	1.7
183.07997	0.4
184.11130	0.7
185.09602	40.2
186.09944	0.4
186.12660	0.6
187.11214	2.0
189.09116	2.9
190.12260	3.7
200.10692	5.7
200.98286	0.5
201.11453	1.5
202.12251	100.0
203.12628	2.7
204.13815	1.4
205.08664	0.9
212.10698	1.0
213.09056	1.4
213.11237	0.6
213.79533	0.3
214.12283	1.6
219.10121	1.1
219.14917	5.2
220.13351	1.8
223.32153	0.4
228.10187	1.2
229.61267	0.4
230.11740	1.2
231.10144	5.3
235.14326	0.6
236.12907	0.9
245.12772	0.4
246.12593	0.6
248.12799	14.1
255.11339	0.5
256.16879	0.7
257.81107	0.4
258.18430	0.5
263.13763	0.5
265.15436	16.0
266.15585	0.6
273.19662	1.2
274.17950	0.6
275.13782	0.8
277.13199	0.5
278.11761	0.4
295.14392	4.7
301.19165	2.0
303.14050	0.4
312.17111	2.0
319.20151	2.6
320.13190	0.4
320.16418	2.2
322.18182	0.7
323.14014	1.1
337.19067	1.5
338.17459	2.0
340.16519	11.3
344.19699	4.0
345.19946	0.4
347.19638	5.3
358.17569	3.8
365.18588	1.1
366.17126	1.0
372.19263	0.8
383.19611	3.3
386.17120	1.4
390.20261	0.8
394.21515	1.0
411.19128	9.2
411.23734	0.7
430.21356	1.2
439.23505	1.6
458.20773	1.4
462.23444	0.6
475.23450	1.7
485.24091	0.5
503.22919	0.7
504.21616	0.5
509.27209	0.5
510.25989	1.9
521.23846	1.8
549.23456	3.6
581.20105	0.4
585.27222	1.4
602.22034	0.4
602.29681	33.0
603.29810	2.2
620.30804	3.0
630.29187	39.0
631.29755	1.8
648.30237	50.7
649.30573	3.1
666.31482	0.8
698.30505	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	871.36
Annotation	Unknow
Peak:m/z	Relative Intensity
64.79608	0.5
67.05517	0.8
69.77122	0.6
70.06580	1.9
70.21240	2.9
72.08157	1.3
79.05493	0.8
81.07035	0.9
84.08157	1.1
85.02917	0.8
85.56091	0.6
91.05501	1.3
93.07034	1.6
94.06564	2.0
95.04993	0.8
95.07361	1.1
96.08135	3.4
107.04919	1.1
108.04449	0.8
108.08133	3.7
110.09677	6.5
120.04481	1.8
120.08096	4.4
122.06003	1.4
124.07595	1.8
125.06054	0.8
131.04927	0.7
136.07567	4.7
137.05972	1.0
138.09131	10.5
146.05978	1.0
148.07579	1.3
150.09103	0.9
152.07059	1.1
157.01001	0.6
162.05533	0.6
164.07074	1.0
166.08624	9.7
169.84952	0.6
171.92128	0.6
172.03951	2.1
176.10736	0.9
182.11812	0.9
190.04996	2.5
194.08139	1.3
204.06535	3.1
209.10767	1.2
213.10251	0.8
224.09497	0.8
225.10229	2.3
227.11919	0.7
235.08585	1.4
236.09326	0.8
237.10255	4.8
238.10924	1.3
239.08226	0.7
239.11771	2.3
241.09824	1.1
243.11292	1.3
248.09367	0.7
249.10178	4.6
250.10945	1.0
251.08182	2.4
251.11786	3.4
252.08842	1.3
253.09775	4.0
253.12343	0.6
253.12866	0.6
255.11443	0.8
261.10287	2.6
263.11771	3.6
265.09720	6.4
265.13861	0.7
266.10553	1.5
267.11282	5.8
268.92120	0.6
269.09195	0.7
269.12936	0.8
271.10849	1.9
273.12338	1.6
276.08942	1.0
277.09695	2.1
278.10519	4.3
279.07687	3.9
279.11319	10.0
280.12094	1.6
281.09201	2.5
281.12469	1.5
282.10138	1.3
283.10745	5.0
285.12381	3.4
287.13962	2.1
289.09711	4.7
291.11273	2.1
293.09393	1.3
293.12845	4.6
294.09946	4.5
295.10748	3.4
296.11609	2.0
297.08835	0.8
297.12372	1.6
299.10324	2.2
299.13763	0.8
301.11926	0.9
303.13446	2.8
306.09836	0.8
307.10770	1.9
308.11435	1.2
309.12411	4.0
310.13138	1.0
311.10287	5.9
311.13953	2.8
312.11041	2.3
313.11707	3.3
314.12549	2.0
321.12152	0.7
323.10172	2.0
323.14020	2.1
324.11032	2.0
325.11798	4.9
326.12598	4.5
327.13431	8.3
335.10306	8.6
339.13379	49.5
340.10541	2.1
340.13895	1.6
343.12845	0.8
343.31564	0.7
352.10666	1.0
354.12115	6.1
355.12860	16.9
357.14505	2.1
367.12860	34.1
368.13406	1.1
369.14203	0.7
383.12360	0.9
386.14789	1.3
387.15512	2.5
399.15482	1.3
400.16623	0.6
401.32333	0.6
415.15152	2.0
418.17734	1.2
425.09048	0.7
432.15445	1.2
447.17621	1.4
456.15488	1.2
460.18777	1.1
462.16446	0.9
474.16492	2.1
479.20157	2.9
488.18185	8.4
492.21384	6.9
506.18808	1.0
520.20782	100.0
521.21301	3.6
538.21729	4.2
552.23389	70.0
553.23792	2.4
627.24524	13.0
628.25006	0.7
628.77759	0.8
659.27106	3.5
682.26276	0.9
685.92126	0.8
789.29425	1.2
824.48157	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	870.4019
Annotation	Unknow
Peak:m/z	Relative Intensity
68.05017	4.7
69.05782	1.4
70.06580	3.7
70.14442	4.8
72.08145	4.9
80.04995	1.0
84.08134	6.2
91.05470	3.1
91.10109	0.9
94.02925	2.4
95.50153	0.8
107.04929	1.5
119.04932	3.0
120.08091	1.7
121.06481	2.7
122.09640	1.1
134.06006	2.0
136.07550	12.6
136.11154	1.6
145.06477	1.8
146.05959	1.3
148.07521	2.6
157.06502	1.6
157.10129	2.5
159.08003	1.9
160.07578	3.8
169.74289	1.0
170.07224	5.3
172.07565	2.1
173.09641	1.5
174.09160	5.0
175.11234	2.2
176.10661	2.6
185.09604	36.6
186.09006	1.5
187.11032	1.5
189.09021	1.7
190.12311	3.6
200.10695	6.1
201.11511	1.9
202.12253	100.0
203.11955	1.4
204.13818	1.8
212.10733	1.0
214.12154	1.5
219.14911	4.0
230.11700	1.2
231.10126	5.5
243.11409	1.3
248.12804	15.6
256.16739	1.2
265.15424	20.7
265.18228	1.1
273.19513	1.3
295.14331	4.9
301.19073	1.7
312.17090	1.7
319.19943	2.2
320.16281	1.8
323.13943	2.4
338.17392	1.8
340.16617	12.2
344.19604	3.5
347.19733	4.6
358.17538	5.8
360.19180	1.4
364.22238	1.0
365.18866	1.5
366.16931	2.0
383.19540	4.1
386.16931	2.0
411.19180	11.1
439.23157	1.3
465.03622	1.0
475.23404	2.0
478.23349	1.5
495.25757	1.0
510.25735	1.5
521.23828	1.8
523.25165	1.1
549.23273	2.5
585.26636	1.4
602.20398	2.0
602.29663	37.0
603.28564	1.6
620.30493	3.9
621.64514	1.1
622.32135	3.0
630.29169	41.7
631.29755	1.2
648.30200	52.1
649.30743	1.2
650.31805	19.1
882.98474	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	869.3702
Annotation	Unknow
Peak:m/z	Relative Intensity
68.05016	9.4
69.03405	0.6
69.05800	13.5
70.06583	16.5
72.08147	15.2
79.05440	0.4
80.04986	1.2
81.05743	0.4
81.88603	0.4
82.06552	1.3
82.71837	0.4
84.08141	1.9
86.06058	0.5
91.05448	2.9
94.06540	0.8
95.04958	0.9
96.04463	1.0
96.08090	1.0
97.07623	0.8
100.07591	0.6
104.04948	0.8
105.06992	1.5
106.06517	0.4
107.04960	3.2
113.07104	4.5
113.60156	0.4
114.05480	1.2
115.05432	1.2
117.06984	1.1
119.04931	2.6
120.08039	0.7
121.06461	1.8
122.02634	0.4
122.06022	2.8
122.09650	11.0
123.04482	2.0
123.05463	2.0
123.10418	0.8
124.11211	0.8
125.07095	1.8
127.08640	0.7
128.06139	0.6
129.06992	3.1
130.06496	0.9
131.04897	1.6
131.07228	1.5
131.08514	1.6
132.04483	2.1
132.08057	6.4
133.06464	3.5
134.05995	14.2
135.04395	0.8
135.06767	3.8
136.06578	0.5
136.07571	7.3
137.05956	0.6
137.06992	0.6
139.05000	1.3
139.08624	0.8
141.06938	0.8
142.07768	1.5
143.08528	1.4
144.05656	0.8
144.07997	0.6
145.06480	5.6
145.10078	1.2
146.05989	3.6
146.07051	0.6
146.09605	0.9
147.04405	1.8
147.06833	0.9
147.07982	1.0
148.07555	4.5
149.05945	0.7
150.05490	21.6
150.09056	0.8
155.08582	0.6
156.08000	0.5
157.06494	3.8
157.10132	3.5
158.06038	0.5
158.07233	0.7
158.09569	0.7
159.06763	0.7
159.08043	7.8
159.11633	1.5
160.03964	0.8
160.07574	5.5
161.05927	1.7
161.08359	0.7
161.09601	3.8
162.05559	0.4
162.09085	0.4
163.04999	0.5
163.07518	2.4
165.05469	2.1
165.06726	0.5
167.08543	1.9
169.06433	1.1
169.10117	0.9
170.05936	0.7
170.07253	5.6
171.07994	2.8
172.07515	1.2
172.11130	1.2
173.08339	0.8
173.09589	3.9
174.09125	50.4
175.07526	0.6
175.09648	0.9
175.11136	4.9
176.06973	1.9
176.10667	4.7
177.09073	2.1
178.04997	1.5
183.08012	1.2
184.07571	2.8
184.11131	0.9
185.05957	1.5
185.09599	34.6
186.09096	10.6
186.12721	1.4
187.07526	0.9
187.09641	0.9
187.11147	5.5
188.10651	4.5
189.09076	17.2
190.09496	0.5
190.12231	5.8
192.06505	1.5
194.08121	1.2
196.07448	0.7
198.09117	1.4
199.09871	0.7
200.06908	0.5
200.10687	13.7
201.11563	4.1
202.08537	2.9
202.12244	79.0
203.06966	0.7
203.11797	23.3
204.13800	3.7
205.08459	1.9
212.07059	0.4
212.10622	2.5
213.08836	2.3
214.08662	0.9
214.12285	2.3
215.11845	1.0
217.09737	0.6
217.13322	1.9
219.10136	1.5
219.14880	6.4
220.06068	6.6
220.09647	1.3
220.13306	4.5
222.11267	0.6
224.10753	0.5
226.12263	2.0
227.08298	1.0
227.12991	0.6
228.10252	0.8
228.13821	1.7
229.09663	1.2
229.13322	1.3
230.08116	1.3
230.11746	6.5
231.10083	21.2
232.09853	0.7
233.12788	1.3
235.14435	0.6
236.12759	1.2
240.13744	0.7
242.15295	0.8
243.11116	0.6
245.09187	6.4
246.11288	1.6
247.14449	2.0
248.12608	25.2
249.12404	1.2
252.13959	2.7
252.16255	0.8
253.14600	2.8
254.15407	1.3
255.07619	0.9
256.05960	1.3
256.16849	1.0
257.12903	0.5
257.13852	0.4
257.16446	4.0
258.18527	1.5
259.10709	2.0
263.13754	0.8
265.15433	21.0
269.16470	1.8
270.17123	2.3
271.10837	0.7
271.17972	1.5
272.16483	1.9
273.08673	11.9
273.15939	1.0
273.19595	1.7
274.15338	0.8
274.18179	1.2
275.13882	3.8
275.21170	0.6
280.13300	1.9
281.16516	0.8
283.18152	0.6
293.14883	6.1
293.17911	0.6
294.14682	0.7
297.15952	2.5
299.17365	0.6
301.18930	0.8
302.18649	4.6
303.13397	1.0
304.12833	0.8
313.15558	1.0
314.18643	1.7
315.09772	4.9
315.16904	2.2
317.18784	0.9
318.14709	0.8
318.21796	1.3
319.20114	3.5
320.16443	1.4
321.14481	4.1
325.15552	2.9
328.20087	0.6
329.18561	1.0
330.18051	0.9
331.20193	0.4
335.17468	0.6
337.18915	0.7
340.16412	0.5
341.14926	0.4
342.17950	2.4
344.19812	0.7
346.21307	2.0
347.19653	5.4
357.17657	0.5
358.17828	2.0
359.15973	2.1
360.19153	10.4
360.23276	0.7
364.22168	1.1
368.23416	0.9
374.20667	1.5
375.19455	2.0
376.19083	0.6
381.18228	1.0
383.19751	0.7
387.20651	5.7
388.18756	1.7
389.22223	1.6
392.21512	2.1
396.23050	0.5
402.20401	0.6
403.20267	0.9
404.18518	0.6
404.23230	4.9
411.19144	2.2
415.20151	1.4
420.21390	2.5
421.21225	2.3
426.20236	0.5
432.22797	16.5
433.21634	0.9
434.24307	2.5
444.22647	0.7
449.20584	3.9
450.23959	4.3
459.19040	0.4
459.26007	0.6
460.22296	11.7
461.20959	1.0
462.23315	0.6
477.24936	2.8
478.23364	12.1
486.27350	0.6
487.25476	1.6
488.21863	1.1
495.25931	3.6
505.24350	2.3
506.22842	5.4
514.26831	0.4
522.22516	1.6
523.25494	13.5
531.29694	6.8
533.23682	1.1
551.24945	26.6
552.25104	0.8
555.28278	0.9
559.28967	6.0
560.29260	0.5
561.30719	0.8
576.31256	1.3
577.30261	3.0
578.33124	0.7
579.24371	1.5
587.28577	62.4
588.28833	2.0
594.32880	1.0
604.31097	6.1
605.29669	6.2
621.29083	1.7
622.32239	27.8
623.32172	1.3
632.30756	9.7
633.29639	0.8
650.31757	100.0
651.32111	3.5
742.30298	0.9
764.32745	0.6
823.21271	0.8
823.36469	13.4
841.37555	1.1
851.35510	0.6
869.36823	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	867.3545
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05457	0.4
67.49757	0.3
68.04984	1.3
70.06590	2.3
72.08143	3.5
79.05458	0.4
83.04932	0.5
84.04469	0.4
84.08096	1.0
86.09668	0.6
86.21532	0.3
91.05476	1.6
94.02895	0.6
98.21505	0.7
103.05437	0.8
107.04890	0.8
115.05455	0.5
117.06955	0.7
119.04909	0.9
121.06473	0.9
128.06131	0.4
129.06926	0.9
130.06488	0.4
131.04897	1.2
131.06010	1.8
131.06956	0.3
131.08534	0.5
132.04424	0.8
132.08095	2.0
133.06441	0.6
133.91245	0.3
134.06004	2.6
135.06816	0.5
136.07544	4.7
137.02316	0.4
137.05980	2.2
141.06961	0.5
142.07730	1.2
143.08502	1.0
144.05641	0.5
144.08157	0.4
145.06424	1.2
146.05934	0.8
147.04347	0.6
147.07977	0.4
148.07513	1.6
149.04787	0.4
149.07025	0.4
150.05470	2.7
151.07487	0.4
157.06438	2.1
157.10135	2.1
159.05502	0.7
159.06795	0.7
159.08035	1.5
160.03922	1.7
160.07594	2.5
161.05952	0.5
161.09579	1.0
162.05472	1.3
163.07504	1.0
167.08524	1.1
169.06322	0.6
169.07602	5.3
170.05972	0.6
170.07239	5.9
171.08012	0.4
172.07544	2.8
173.09624	1.0
174.09102	3.6
175.11177	1.1
176.03410	0.4
176.10667	1.2
177.06580	11.1
178.04970	10.0
182.05957	1.3
183.08090	0.5
184.07570	1.7
184.11172	0.5
185.09592	19.9
186.09090	0.5
186.12762	0.5
187.05006	1.9
187.07610	0.4
187.11198	1.2
188.03333	0.7
188.07040	1.0
188.10773	0.4
189.09094	3.6
190.12271	1.8
197.07086	2.3
198.05487	1.0
199.06261	0.7
200.06993	2.7
200.10666	3.8
201.11465	1.3
202.12248	37.5
203.12601	1.1
204.13768	1.1
205.06059	100.0
206.04462	3.0
206.06453	1.6
209.07028	0.4
212.10715	1.4
213.09094	0.5
214.04939	0.7
214.12190	0.8
215.04517	1.1
215.08127	11.3
216.06566	4.1
216.08429	0.6
219.10159	0.5
219.14876	1.3
220.13359	0.5
225.06503	0.7
226.04968	2.3
226.07156	0.6
227.05957	0.6
227.08102	2.6
228.06483	1.6
229.06065	6.4
230.04466	7.7
230.08003	0.7
230.11725	0.6
231.10114	3.2
241.09679	1.4
243.07639	14.1
244.05977	0.6
244.08330	0.4
245.09200	4.0
247.07112	19.0
248.12788	6.8
251.08125	1.3
254.04480	1.0
255.07762	0.5
256.16913	0.9
265.15436	4.9
267.07602	1.2
269.09174	2.2
270.08737	0.4
271.07095	19.4
273.19598	0.9
274.17941	0.5
285.08698	1.1
287.10135	0.7
288.09799	0.7
295.07126	0.5
295.14365	0.8
297.08508	0.6
299.09988	0.4
301.19107	0.5
313.08148	40.5
314.08606	1.1
316.09531	0.8
318.11163	0.6
319.20218	1.7
320.16449	0.7
322.17920	0.7
330.10916	0.6
333.12454	0.9
337.19144	0.6
338.17523	0.6
339.20779	0.4
340.16687	1.3
344.09317	0.6
344.19797	0.4
347.19617	2.4
358.17612	0.5
360.13254	0.4
361.11804	0.7
365.18466	0.7
378.14435	6.4
383.19727	1.1
386.16556	0.4
388.12570	0.8
406.13937	3.5
411.19189	2.3
420.15503	2.7
434.13483	0.9
448.15237	0.9
455.16302	0.5
460.18866	0.4
465.17746	0.9
472.18387	1.7
510.25720	0.7
521.23914	0.4
549.23364	1.1
559.22113	1.0
562.23486	0.6
575.20935	0.6
577.22894	0.9
585.27112	0.9
602.29712	9.7
603.29425	0.8
605.22540	1.0
607.25641	1.9
620.30725	0.7
630.29150	3.1
635.25134	0.6
648.30243	4.5
649.26697	0.4
652.27502	0.5
653.26282	0.7
658.28564	0.4
677.25812	1.3
694.28955	1.5
695.27771	1.2
704.29517	0.6
712.30151	0.5
722.28137	2.9
723.27136	1.8
726.27734	1.9
734.31592	0.7
740.29187	7.3
748.32910	0.4
762.31287	1.3
768.28528	6.9
776.32892	1.3
779.33813	0.7
793.34900	1.8
794.33423	1.6
797.35339	0.6
804.32959	0.5
811.35944	0.6
821.34937	36.8
822.34528	3.1
825.33789	0.5
839.35822	5.1
849.34503	1.0
867.35535	14.1
868.34869	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	864.6241
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05457	0.6
69.07052	1.7
69.63488	5.3
71.04971	1.0
71.08624	42.6
73.02897	2.5
73.06546	6.3
79.05511	0.7
83.08611	1.2
85.10173	36.5
86.10480	0.7
87.04456	23.9
89.06020	100.0
97.10149	0.8
99.11717	4.6
102.02720	0.5
103.07561	7.0
104.49424	0.6
107.07055	4.6
108.70088	0.6
113.06021	1.0
113.13281	2.0
115.07574	0.8
117.09096	5.5
129.09132	0.6
130.08621	4.1
131.07037	6.1
133.08589	69.1
134.08826	0.8
144.10197	0.5
155.17964	2.6
161.11740	1.8
172.11147	0.7
175.09644	5.5
177.11209	26.3
185.88330	0.6
213.22165	3.4
219.12352	2.0
221.13814	5.3
223.15355	1.1
237.13148	0.6
239.15009	1.3
257.24670	3.5
265.16501	0.8
283.17374	2.8
309.19171	0.7
327.20148	1.2
347.18829	0.7
371.22964	0.8
430.29691	1.6
448.30362	1.0
528.27185	2.6
635.38361	1.5
864.48236	1.1
864.62469	1.9
865.48712	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	864.6246
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05493	0.7
69.07044	3.3
71.08624	90.3
71.73284	0.8
73.02901	2.3
73.06531	3.5
79.05482	1.0
81.07033	1.7
83.08601	3.3
85.10172	88.9
86.10508	1.1
87.04460	24.1
89.06021	100.0
91.07566	1.0
93.08221	0.8
95.04928	0.8
95.08575	1.0
97.10157	2.0
97.47884	0.8
99.11726	10.4
101.09651	1.8
103.07568	1.5
107.07071	4.7
113.05943	1.3
117.09119	9.6
129.09079	1.0
130.08609	3.2
131.07033	7.9
133.08594	75.7
141.16376	9.8
141.98477	0.8
161.11737	1.2
163.16841	0.9
175.09660	5.5
177.11208	30.6
178.11606	0.7
179.12810	0.8
184.07281	1.1
195.12299	1.0
199.20544	18.6
219.12219	1.5
221.13860	6.0
223.15483	1.4
237.13280	1.0
239.14819	1.3
240.23169	1.8
257.24756	8.5
258.24832	1.0
265.16382	1.4
283.17508	2.5
309.18954	1.4
327.20230	1.2
353.21423	0.8
397.24536	0.8
445.39893	0.8
547.33026	0.9
591.35651	5.2
864.63171	3.9
886.85339	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	864.5146
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02918	2.0
67.05493	9.9
69.03426	15.1
69.07059	89.8
70.06596	6.5
71.04966	3.8
71.08626	6.9
71.74737	1.2
73.02905	2.9
73.06525	2.1
79.05466	2.2
81.03411	16.3
81.07046	14.9
83.04939	3.6
83.08610	86.6
85.02898	26.8
85.06510	2.3
85.10153	1.4
85.58833	1.2
86.09688	4.3
87.00819	9.2
87.04458	13.3
89.06021	100.0
91.05453	3.1
93.07028	2.6
95.04932	3.7
95.08584	9.4
97.02880	9.2
97.10159	54.2
99.04439	5.7
99.08074	2.6
101.06036	1.5
103.07551	2.8
105.01868	6.0
105.07045	2.0
107.07050	4.8
107.08544	2.1
109.02875	14.3
109.10126	7.2
111.04455	3.2
111.11697	9.8
112.07574	3.4
117.09102	6.6
123.11685	4.9
125.13277	12.0
127.03903	17.4
130.08633	2.4
131.07048	6.7
133.08589	87.5
135.10144	3.3
137.06009	1.9
137.13217	2.3
139.14854	1.5
141.10141	1.5
143.14297	1.4
145.04958	3.2
147.10155	2.1
157.15829	2.1
159.02919	3.7
165.16374	2.7
167.07059	2.6
175.09615	5.2
177.11198	44.6
183.17378	2.3
185.08101	1.5
197.19019	1.6
201.18483	8.9
211.20576	1.7
213.03714	1.3
214.38646	1.1
215.20091	6.9
219.12320	2.1
220.75880	1.6
221.13792	10.3
231.05019	4.1
237.13266	1.8
239.14821	2.4
241.21570	4.1
249.05925	1.3
255.23189	7.7
259.22647	9.5
265.16443	2.6
273.24268	1.5
283.17496	14.4
289.09189	5.6
309.19107	2.3
327.20081	14.9
341.21552	7.9
353.21716	3.8
367.23087	2.3
371.22748	24.0
381.24854	1.7
385.24188	4.2
399.25818	1.4
411.25818	4.5
454.97922	1.5
491.12500	1.4
491.98712	1.4
581.42487	19.4
599.43103	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	860.3895
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03923	1.7
67.05498	18.7
69.07060	12.4
70.06207	0.4
70.06581	4.9
70.07421	0.2
70.73465	0.8
71.04987	2.2
84.04510	0.4
84.08121	0.7
85.06512	0.3
86.09717	1.6
94.06541	0.3
95.04958	36.4
96.05308	0.6
103.16069	0.2
112.07592	100.0
113.05991	22.1
113.06844	0.3
113.07880	1.6
114.06319	0.3
120.08108	0.5
130.08598	0.5
146.42924	0.2
155.07014	3.0
159.09164	0.5
159.48920	0.2
162.53870	0.3
169.09659	0.3
173.08089	0.8
207.10095	0.4
211.14326	0.3
215.09163	0.5
224.12802	18.7
225.11140	0.5
225.13110	0.5
242.13861	0.9
243.92442	0.2
244.54041	0.2
267.12222	0.5
284.14886	15.6
285.15326	0.3
336.18039	2.9
396.19965	0.5
508.25320	0.3
526.50299	0.3
544.69977	0.2
585.10193	0.2
614.90961	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	862.6451
Annotation	Unknow
Peak:m/z	Relative Intensity
65.40917	2.6
71.08249	5.9
71.08628	100.0
71.73458	2.8
71.74270	2.9
75.78904	2.6
85.10178	89.7
87.04469	11.3
89.06026	47.2
90.56904	2.5
99.11719	26.1
101.09649	3.4
107.07063	2.9
113.13266	9.4
117.09129	35.4
130.08664	4.1
131.07025	3.5
133.08598	54.2
155.17915	20.0
158.11678	2.7
175.09665	2.5
177.11240	17.2
213.22121	34.6
221.14024	3.7
271.26306	31.9
275.75104	3.2
283.17603	2.7
298.85013	2.7
329.30719	2.9
329.55664	2.8
402.92978	3.1
459.27765	7.7
497.29764	3.4
862.64282	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	858.447
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02915	4.3
65.03925	2.1
65.62147	0.5
67.05495	13.4
69.03419	20.9
69.07040	1.5
69.69733	3.1
69.70141	1.1
70.06567	2.3
71.04979	8.0
72.08153	0.6
73.02907	1.9
79.04501	0.5
79.05486	2.9
81.03415	4.8
81.07047	4.5
83.04973	1.6
83.08636	0.6
84.04476	0.8
85.02892	47.2
85.06534	8.0
86.09692	0.9
87.04453	3.5
91.03939	2.3
91.05483	1.8
93.07039	2.3
95.04957	35.5
95.08592	2.8
96.05273	0.5
97.02879	15.1
97.06516	7.6
99.04415	2.7
101.06001	0.8
103.03933	0.6
103.05465	0.6
105.07024	3.3
107.04922	0.8
107.08581	2.9
109.02878	4.7
109.06490	1.7
109.10143	1.7
110.07131	1.1
111.04436	1.1
113.05987	100.0
114.06324	0.5
115.03941	0.6
116.51093	0.5
117.07024	1.1
119.08549	1.9
121.06455	0.5
121.10099	2.7
125.05975	4.1
127.03895	14.6
127.07520	0.7
129.06987	1.0
131.08549	1.7
133.10104	2.1
135.11676	1.4
136.07555	0.7
137.06007	2.8
139.03905	0.5
143.08574	1.1
145.04938	19.1
145.08578	15.6
145.10059	2.0
147.08000	0.6
147.11676	2.2
149.13261	1.0
151.07562	0.7
153.05463	5.3
155.06990	3.4
155.08147	0.6
157.10144	1.0
159.11682	2.3
161.05937	0.7
161.13266	1.0
163.06001	5.7
163.07347	0.8
167.06995	1.4
169.10126	0.8
171.11644	1.1
173.13280	1.0
175.07480	0.5
175.14731	2.4
179.07022	1.4
183.11661	0.8
185.13251	1.0
189.07471	1.3
189.16295	1.1
193.08519	1.0
197.09448	0.5
197.13371	1.2
199.14755	1.4
201.16310	3.7
209.13252	0.6
211.14783	0.8
213.16219	0.6
215.10832	0.5
215.17947	0.9
229.12350	0.6
235.14735	0.6
239.09114	1.1
253.19319	0.5
255.13699	1.1
257.10172	4.3
275.11200	2.1
277.19452	1.0
289.09024	0.8
291.21109	1.2
293.22452	0.6
309.22137	1.2
319.20477	1.5
325.11258	4.8
332.47836	0.6
337.21558	7.4
355.22617	16.0
355.29282	0.7
361.69562	0.6
373.23682	64.6
374.24060	1.6
376.17642	0.5
393.85730	0.5
414.26376	1.9
452.16751	0.5
517.31531	10.1
537.12360	0.5
594.87036	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	858.4469
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02922	5.7
65.03942	2.1
67.05500	15.3
68.05032	0.3
69.03424	23.9
69.07071	0.8
70.06595	1.0
71.01353	0.4
71.04987	8.9
71.73300	0.4
72.08144	0.4
73.02911	2.5
74.09727	0.3
79.05481	2.2
81.03413	5.3
81.07043	1.9
81.81651	0.3
83.01315	0.5
83.04984	2.3
84.08145	0.3
85.02899	71.4
85.06541	7.9
87.04461	4.9
90.50862	0.3
91.03959	3.0
91.05453	1.7
93.07021	1.6
95.04960	44.5
95.08586	1.0
97.02885	19.8
97.06519	5.9
99.04447	3.0
99.08053	0.4
101.02367	0.6
101.05969	0.7
103.03938	0.8
105.07001	2.0
107.04926	0.6
107.08569	1.6
109.02866	7.2
109.06495	0.9
109.10159	0.5
111.04438	3.1
113.05997	100.0
114.06342	0.7
115.03910	0.9
117.07007	0.5
119.08582	1.1
121.06422	0.4
121.10114	0.5
123.04462	0.4
127.03905	18.5
127.07531	0.4
129.05460	0.6
129.06956	0.4
131.08557	1.1
133.10100	1.4
135.04379	0.7
135.11670	0.3
137.05969	1.1
141.06963	0.3
143.08586	0.4
144.06544	0.3
145.04948	31.1
145.08589	23.7
145.09975	0.7
147.11649	1.0
149.05972	0.6
149.09586	0.4
151.07527	0.6
153.05524	0.4
155.08498	0.4
157.10075	0.4
159.11678	1.1
161.05937	0.4
161.09615	0.5
161.13184	0.3
162.07727	0.3
163.06007	11.2
167.06981	0.6
171.11563	0.3
175.07671	0.3
175.14828	1.5
177.09108	0.3
179.07004	0.9
189.07541	2.8
204.08698	0.6
213.07516	0.5
221.08134	0.5
239.09094	2.1
257.10199	6.7
259.86331	0.3
271.08096	0.8
275.11227	3.3
289.09131	1.9
319.58411	0.4
325.11264	9.9
337.21362	0.7
355.22769	2.3
358.17047	0.3
373.23706	34.5
374.23947	0.7
414.26144	1.2
463.29871	0.5
549.75879	0.3
612.95001	0.3
858.45563	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	857.3443
Annotation	Unknow
Peak:m/z	Relative Intensity
59.84509	0.1
67.05463	0.3
69.03419	0.3
69.07040	0.4
69.68954	0.8
69.69380	0.5
70.06564	0.4
76.00523	0.2
80.04999	0.2
81.03374	0.2
85.02887	0.5
86.09690	0.2
94.06548	0.4
95.04926	0.4
97.02835	0.2
98.06023	0.3
98.21516	0.2
108.04469	3.2
108.08067	0.3
110.06049	0.2
112.57450	0.2
120.04469	0.2
120.08073	0.3
122.06023	1.0
136.07556	1.4
138.05478	0.7
138.09074	0.2
140.07054	1.5
146.05989	1.8
148.03906	0.3
148.07567	1.0
150.05464	0.5
164.07048	0.6
166.04991	0.7
168.05086	0.3
168.06548	4.7
174.05487	0.9
181.08742	0.3
196.11266	0.5
197.10722	0.3
198.09196	0.3
199.08617	1.0
199.12196	0.2
204.06541	0.7
206.08107	1.4
208.88649	0.2
209.08321	0.3
210.07642	0.2
210.09280	0.2
211.08626	5.2
211.11926	0.8
212.07343	0.3
212.09239	1.4
213.10225	1.5
213.13690	0.2
221.10686	1.3
222.09131	1.4
222.11172	0.3
223.08609	1.3
223.12227	0.6
224.10953	1.9
225.10199	4.8
226.08755	0.3
226.10916	0.8
227.08061	1.0
227.11693	0.6
237.10185	0.4
238.10947	0.4
239.08298	0.9
239.11771	8.6
240.08742	1.0
240.12465	0.7
241.09663	2.2
241.13326	1.2
242.10452	0.7
243.11214	0.2
249.10214	1.1
250.08615	1.2
250.10786	0.4
251.08018	1.0
251.11917	0.4
252.08629	1.7
253.09686	5.5
254.10498	1.1
255.11250	0.7
256.12030	0.5
257.12833	0.8
259.14426	0.4
265.09708	0.2
266.10504	0.2
267.07803	0.6
267.11267	12.5
268.12051	1.1
269.09546	0.3
269.12772	2.4
270.09869	0.2
270.48743	0.2
271.10788	0.3
272.11374	0.2
273.12244	0.2
278.07959	0.4
280.08600	0.3
281.09161	0.7
283.10687	0.6
284.11493	0.9
285.09088	0.3
285.12302	1.6
287.13739	0.9
293.09280	0.3
295.10754	6.5
296.09073	0.4
297.12338	1.6
298.10501	0.2
299.05365	0.3
299.10440	0.2
301.11795	0.3
303.13239	0.7
305.14899	2.7
306.07291	0.2
313.11798	39.4
314.12140	1.5
315.13324	0.5
323.10321	1.8
327.13400	0.4
329.06546	0.2
341.11298	16.4
342.12015	1.3
343.12830	0.4
345.14337	0.3
355.12790	2.4
359.12332	4.7
373.13910	100.0
374.14276	3.7
375.15570	0.7
379.08307	0.2
601.26404	0.3
617.25702	0.2
627.24249	0.8
645.25488	2.3
646.25232	0.2
659.26965	1.3
675.18494	0.2
677.28394	1.3
711.20721	0.2
807.28961	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	856.5408
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02916	2.5
65.03929	4.2
67.05495	76.7
69.03413	10.6
69.07058	36.2
70.06580	12.3
70.07380	1.6
71.04978	6.5
71.74562	1.4
71.74991	3.3
73.02885	1.7
77.03928	1.5
79.05483	60.4
81.03403	17.3
81.07046	100.0
82.07372	2.5
83.04964	13.4
83.08606	15.8
85.02888	7.1
85.06526	4.9
91.05468	55.4
93.07033	62.1
95.04959	16.5
95.08601	37.6
97.02884	5.4
97.06525	14.8
97.10152	9.8
99.04431	3.3
99.08074	3.3
103.05449	2.9
105.07014	44.2
107.04938	10.1
107.08580	36.5
109.02873	4.3
109.06496	9.1
109.10136	17.7
111.04446	2.5
111.08064	6.0
113.09571	2.0
115.05444	1.9
116.07079	4.5
117.07001	18.9
119.08557	32.6
121.06493	6.8
121.10140	18.9
123.04404	2.2
123.08043	5.0
123.11690	4.6
125.06055	1.9
125.09625	5.5
127.03919	8.4
128.06212	3.1
129.06975	7.3
131.08545	24.4
133.10107	26.7
135.08031	6.6
135.11691	20.6
137.09601	3.9
137.13292	1.8
141.06985	3.9
142.07816	1.8
143.08553	7.0
144.09265	2.3
145.06491	1.8
145.10107	24.0
147.08035	1.9
147.11656	15.3
149.09595	17.0
149.13243	16.0
151.07565	2.0
151.11165	4.0
155.08528	3.6
157.10091	6.0
159.11670	17.8
161.09567	4.0
161.13248	6.0
163.11157	14.8
165.12724	3.4
167.08522	1.9
169.10123	5.6
171.11691	5.3
173.09599	2.8
173.13254	7.3
175.11113	3.1
177.12723	6.0
179.14343	4.2
181.12225	3.1
183.11707	4.6
185.13301	1.7
187.11250	1.8
187.14751	1.6
189.11220	2.7
189.12808	2.9
195.12030	1.5
195.13751	7.6
197.13261	2.6
199.14844	2.1
227.12686	5.4
229.19423	2.6
239.17982	4.6
245.13603	1.7
247.20517	2.5
253.14342	2.4
255.15883	13.2
257.19025	11.4
260.56427	1.5
261.14816	1.9
267.16034	2.6
269.17438	36.9
273.18613	1.7
275.20038	41.8
283.58676	1.7
293.21021	4.9
331.22672	2.0
339.17978	2.5
349.23685	31.0
367.24927	10.1
399.26645	2.0
413.21594	2.2
437.25687	2.5
449.29001	15.8
463.30661	20.2
521.15735	2.0
525.35443	2.3
529.35095	5.2
543.36859	20.7
561.37549	2.5
607.34821	1.7
623.42670	2.4
641.43817	2.8
649.45746	1.8
676.43933	2.9
778.57019	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	856.4522
Annotation	Unknow
Peak:m/z	Relative Intensity
59.66500	1.5
61.02612	3.2
61.02920	62.1
61.30598	1.7
65.03934	4.3
67.05499	74.9
69.03422	17.8
69.07065	17.7
70.06578	5.9
70.08333	2.0
71.04964	7.1
71.72903	1.9
73.02910	25.8
75.04475	12.7
79.05486	54.6
81.03417	16.0
81.07049	87.3
83.04963	7.1
83.08624	9.3
85.02895	95.9
85.06520	2.6
86.09672	4.1
89.05992	1.8
91.03948	80.6
91.05465	42.7
93.04914	1.9
93.05505	43.5
93.07034	78.2
95.04944	14.0
95.08006	3.8
95.08598	63.6
97.02885	50.0
97.06512	7.2
97.10143	4.8
99.04459	9.4
103.03935	4.3
105.07018	35.8
105.07709	2.5
107.04938	4.0
107.08585	46.7
109.02863	4.9
109.06509	4.4
109.10142	32.9
110.18471	1.8
111.04431	7.2
111.08041	3.2
115.03938	6.7
115.05465	2.0
117.05463	2.1
117.07013	20.5
119.08581	30.9
121.06503	4.1
121.10141	40.1
123.08040	3.7
123.11688	13.5
125.09606	2.2
127.03899	40.7
128.06223	2.8
129.05534	1.9
129.06978	7.2
130.38150	1.8
131.08566	37.0
133.06505	3.7
133.10123	21.7
135.08020	3.9
135.11682	27.1
136.07590	2.4
137.09630	3.2
137.13235	5.9
139.11116	2.5
141.06958	3.0
143.08571	9.5
145.04942	56.6
145.10117	28.6
147.08101	3.3
147.11632	20.4
149.09615	3.4
149.13235	22.3
151.07463	2.5
155.08575	3.4
157.10133	7.4
159.11671	24.6
161.09567	3.0
161.13254	14.8
163.06000	100.0
163.14821	13.7
165.12701	2.6
169.10048	4.6
171.11682	5.6
173.13239	21.2
175.11067	2.7
175.14748	5.7
177.12743	3.1
177.16397	2.9
179.14209	1.8
181.10069	3.2
183.11678	6.5
185.09579	2.3
185.13234	6.7
187.11145	2.5
187.14833	13.9
189.12694	3.4
191.14244	3.8
195.11690	3.7
197.13222	3.6
199.11227	2.6
199.14767	3.3
201.12740	2.6
202.91991	1.7
203.14288	3.1
204.08621	2.4
205.15810	3.6
209.13297	1.8
213.12830	3.6
241.19455	2.4
243.21051	29.7
249.14891	2.2
253.14270	2.4
255.10686	13.1
259.20538	3.6
261.22110	78.4
262.42621	2.1
273.21948	2.2
275.20306	2.3
277.14343	5.5
277.21652	6.9
279.23151	3.2
289.21585	6.5
291.23169	5.1
295.15320	2.6
301.21640	4.0
303.23215	7.8
315.23236	6.0
317.24677	2.4
319.22495	2.9
323.23502	3.0
325.11172	3.9
327.23145	4.5
331.22964	2.6
335.25809	15.0
341.24728	6.9
345.24100	3.0
351.23169	10.4
353.26816	51.9
354.27237	2.1
359.25583	2.6
369.24237	31.6
387.25269	35.7
405.26306	47.4
423.27478	19.5
452.55646	2.2
497.30746	3.9
531.29297	2.2
538.74023	2.2
567.31305	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	855.3915
Annotation	Unknow
Peak:m/z	Relative Intensity
67.04245	2.5
67.05493	1.0
68.05019	14.2
69.05426	1.4
69.05801	15.7
70.06581	18.7
71.75181	0.8
72.08145	23.1
79.05476	0.7
80.05009	0.8
82.06571	44.9
83.07344	1.7
84.08135	8.3
86.09665	0.7
91.05474	5.3
93.07042	1.3
94.06571	3.3
95.05009	1.5
95.07387	1.3
96.04482	7.8
96.08132	3.3
96.92806	0.6
100.07595	2.2
103.05431	3.4
105.07054	0.8
107.04948	3.2
109.07658	1.0
110.06019	4.8
111.09310	0.8
113.07058	0.8
114.05561	1.3
115.05483	1.1
117.05743	0.9
118.06546	2.2
119.04939	4.7
120.08089	59.1
121.06496	2.7
123.04420	1.1
124.03924	3.9
124.11212	1.3
127.08662	2.0
128.07056	13.5
129.06999	2.5
130.06520	0.9
131.04922	1.4
131.07344	2.0
131.08572	1.0
132.08083	7.9
133.08890	1.4
134.06004	32.9
134.09615	6.2
135.06802	5.1
135.10423	7.5
136.07562	19.8
136.11174	9.7
137.05954	1.1
139.08626	2.1
145.06427	3.4
146.06013	4.1
146.09691	1.7
147.04378	1.5
148.07591	1.6
149.10687	1.2
151.05008	1.6
152.05782	8.2
153.13818	3.7
156.08084	0.8
157.06462	2.4
159.08000	6.4
160.07600	2.5
160.11252	1.2
161.05972	1.8
161.10718	1.0
162.05568	1.1
162.09119	6.6
163.12311	1.0
164.10727	1.7
165.05540	3.7
169.06436	1.4
170.09676	0.8
171.08104	2.0
172.07478	0.8
173.09599	1.6
174.09125	85.3
175.07530	1.2
175.09636	0.9
177.10239	3.0
178.10968	1.3
179.11816	2.7
181.13333	33.7
182.08092	3.5
183.08070	2.6
184.07605	4.6
185.05981	2.2
185.09567	3.4
186.09129	13.3
187.07561	2.0
187.12326	2.1
188.07082	1.0
188.10721	6.0
190.08675	1.1
190.12215	4.8
192.10246	2.7
198.09152	1.0
200.10643	5.7
202.08681	2.0
202.12207	6.4
203.06937	1.2
203.11774	41.8
204.12222	0.9
205.09827	1.0
209.12819	6.3
211.07405	1.6
213.10271	1.5
214.08623	1.4
215.11844	3.2
217.13362	0.7
219.10124	2.3
220.09726	2.8
221.08092	1.0
227.12000	0.8
227.13898	4.4
228.10213	2.4
228.13815	2.2
229.08705	1.0
231.11339	1.2
233.12868	2.9
235.14404	1.2
236.12938	0.9
238.10652	1.6
243.11273	13.4
246.11272	4.1
248.09135	1.4
248.13716	1.5
249.12401	1.5
257.16528	3.8
259.10797	1.5
263.13885	15.3
265.15448	1.8
267.14871	1.5
269.16470	2.9
273.12436	1.3
274.15463	4.2
283.14539	0.8
285.12332	15.5
285.15518	1.2
291.13434	0.7
295.14478	0.9
299.17603	1.6
302.18750	2.9
304.64508	0.8
309.14426	9.0
311.13776	1.2
312.17120	3.7
313.17911	1.4
314.16010	1.0
315.17200	1.1
317.18610	1.0
337.19141	0.8
340.16388	3.6
345.18143	1.8
358.17554	4.9
366.13647	1.1
381.18042	1.1
383.16037	2.5
386.16986	1.3
411.18948	1.6
411.24185	1.4
412.18665	4.7
439.23257	6.2
448.22650	1.1
457.24564	0.9
467.23093	2.0
476.21655	7.1
478.23267	4.2
485.23962	1.1
493.24567	5.9
494.22900	1.2
504.21198	1.4
510.26129	1.2
521.23834	6.3
522.22156	4.9
539.24799	4.5
549.23572	5.0
550.21716	2.2
567.24475	19.7
575.28638	1.0
585.26971	2.0
595.23944	10.9
602.29718	4.1
603.28088	2.3
620.30762	17.6
621.29279	3.2
630.28912	2.1
638.31848	9.3
648.30219	71.0
649.29688	3.6
666.31262	100.0
667.31232	3.7
809.38306	1.3
837.38239	8.0
855.38953	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	854.4367
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02919	16.9
65.03934	3.6
67.05498	100.0
69.03422	6.9
69.07064	15.7
69.76697	4.6
70.06583	1.0
71.01361	1.3
71.04993	7.6
71.08607	0.8
73.02902	8.4
77.03955	0.7
79.05486	43.6
81.03408	16.3
81.07047	74.9
82.07389	0.8
83.01350	0.9
83.04968	9.7
83.08116	1.0
83.08611	21.2
85.02894	31.8
85.06528	5.6
87.04456	5.2
91.03946	11.3
91.05470	29.1
93.07037	43.3
95.04961	10.7
95.08595	21.6
95.09199	1.2
96.04502	1.4
97.02874	14.0
97.06525	11.6
97.07108	0.5
97.10156	14.3
98.20596	0.8
99.04470	2.5
99.08089	2.0
103.03936	1.4
103.05399	0.9
105.04518	1.1
105.07021	12.6
107.04948	4.0
107.08582	26.7
109.02867	1.7
109.06528	3.5
109.10146	51.8
110.10543	0.8
111.04435	2.3
111.08079	7.1
113.06027	1.2
113.09669	0.8
115.05483	1.1
116.04736	1.7
117.07005	9.6
119.08576	9.4
121.05746	0.7
121.06464	3.6
121.10128	12.1
123.04433	0.8
123.08065	2.3
123.11686	3.6
125.06040	1.0
125.09611	12.2
127.03902	5.3
129.05460	6.3
129.07016	1.8
131.08546	9.8
133.06490	0.6
133.10117	13.0
135.08064	2.4
135.11676	9.3
137.09598	3.4
139.07599	0.8
139.11159	0.8
143.07010	1.3
143.08629	0.8
143.10661	1.5
145.04953	5.6
145.10104	5.4
147.08035	1.3
147.11687	5.4
149.09613	2.1
149.13242	12.6
151.11224	1.5
153.12762	2.3
155.10640	3.2
157.10144	1.6
159.11682	6.6
163.05989	6.1
163.11185	7.8
165.12759	4.3
171.06508	0.9
173.04517	1.7
173.09628	2.2
173.11716	13.8
175.11206	2.0
177.12727	4.0
181.12259	2.4
185.11771	0.8
191.10689	2.8
193.12209	6.2
195.13774	14.5
197.11592	0.8
199.13281	6.0
209.11726	7.7
211.13295	5.8
213.14891	1.7
227.12709	8.3
229.14326	46.5
230.14909	0.8
239.16383	4.8
243.13821	0.7
249.15034	0.8
251.16389	0.9
255.15808	1.0
257.13937	1.1
265.14288	1.0
267.15872	10.9
269.17447	50.7
270.17947	1.7
279.06503	0.7
283.15353	7.0
285.17026	1.7
297.16995	1.6
301.16428	15.5
313.16330	2.5
321.22546	0.9
323.18637	1.4
339.23111	0.7
357.24243	1.8
393.26291	2.5
411.27313	5.0
422.26578	0.7
423.27390	37.8
424.27679	1.5
424.63510	0.8
431.27945	2.4
449.29071	2.5
459.27774	0.9
477.28699	4.0
495.29495	86.9
496.29837	4.4
513.30518	25.1
514.31061	1.6
782.86444	0.8
879.96454	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	854.4368
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02920	17.8
65.03935	2.7
67.05495	100.0
67.12824	1.0
69.03419	6.5
69.07058	19.5
71.01351	2.3
71.04982	10.2
71.08637	1.1
71.74592	1.4
72.08138	1.1
73.02902	7.6
79.05482	43.6
81.03406	15.7
81.07045	82.4
83.04971	10.4
83.08611	20.8
85.02895	33.9
85.06528	5.4
87.04462	3.7
91.03941	11.0
91.05466	35.1
93.07031	46.4
95.04959	9.2
95.08592	23.6
96.04491	1.5
97.02879	15.5
97.06519	11.6
97.10156	14.6
99.04459	1.7
99.08083	2.3
103.03932	2.2
105.03335	1.2
105.07021	13.6
107.04942	5.0
107.08575	29.0
108.99006	0.9
109.06508	3.9
109.10140	50.3
111.04385	1.1
111.08056	7.2
113.05979	1.4
116.04692	1.1
117.07009	9.9
119.08557	13.4
121.06494	2.7
121.10126	11.8
123.08051	2.3
123.11697	6.6
125.09607	12.5
127.03870	5.1
129.05476	5.9
129.06981	2.3
131.08539	11.1
133.10104	16.5
135.08018	2.5
135.11673	12.0
137.09616	3.6
139.11189	1.3
143.07060	1.3
143.08545	1.0
143.10701	1.8
145.04939	5.8
145.10107	5.5
147.08078	1.6
147.11639	5.4
149.09567	2.2
149.13266	14.0
151.11191	3.1
153.12775	3.1
155.10643	2.5
157.10147	2.2
159.11690	10.0
163.05994	6.5
163.11179	7.9
165.12735	2.3
167.14340	1.6
173.09549	1.5
173.11719	15.1
175.11218	1.3
177.12701	4.1
181.12262	2.2
185.11743	1.5
191.10666	2.9
193.12236	3.7
195.13788	16.6
199.13251	6.4
200.43224	0.9
209.11673	7.6
211.13234	1.9
213.14812	2.8
227.12744	6.8
229.14323	43.6
239.16412	3.1
257.13824	5.4
265.14334	2.2
267.06503	1.6
267.15936	8.1
269.17444	60.1
272.67441	1.1
278.05768	0.9
279.06625	5.0
283.15421	7.6
285.16843	1.6
291.06519	4.2
293.07922	2.1
295.19464	1.2
297.07751	1.2
297.16870	2.0
301.16376	14.0
305.08023	4.7
309.07922	0.9
317.08087	1.9
323.18912	1.0
333.07510	1.1
343.09573	1.7
357.24261	1.3
359.12677	2.8
373.14279	1.0
389.13739	1.4
393.26434	2.6
411.27274	7.0
423.27393	42.3
424.27213	1.1
431.27667	2.2
437.29016	4.0
444.87082	1.2
449.28757	1.8
463.30450	3.5
477.28314	2.8
495.29315	92.2
496.29630	3.2
513.30573	23.1
514.31073	1.4
541.25671	1.7
553.25366	2.4
571.26868	3.2
589.27740	2.6
595.27094	1.2
613.27484	3.9
625.27881	5.2
637.27728	2.9
655.28650	3.3
673.30676	2.4
691.30981	4.3
849.97870	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	853.3755
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03938	0.5
68.04691	0.7
68.05019	9.2
69.05803	11.9
70.06582	17.0
70.10265	2.5
72.08146	14.1
79.05455	1.1
80.05006	1.1
82.06552	1.4
84.08112	1.8
86.06055	0.6
86.09659	0.5
91.05447	2.1
96.04456	1.1
96.08084	1.2
97.07637	0.4
105.06995	1.0
106.06541	2.3
107.04942	5.2
113.07125	3.7
114.05502	1.0
114.90318	0.4
115.05440	1.2
117.05657	0.5
117.07016	1.2
119.04900	2.1
120.08052	0.6
121.06490	2.4
122.09649	10.0
123.05474	0.9
125.07088	1.6
127.08686	0.7
128.06215	0.5
128.08287	0.5
129.06961	1.9
130.06505	0.9
131.04883	1.6
131.07341	1.2
131.08519	1.7
132.08075	4.7
133.06464	3.3
134.05992	34.8
135.06871	2.8
136.07561	6.0
139.08632	0.7
141.06914	0.8
142.07739	1.3
143.08516	1.1
145.06450	4.3
145.10030	0.9
146.05984	3.6
146.09612	0.7
147.04349	1.4
147.06853	0.6
147.08009	1.0
148.07521	3.0
149.05974	2.5
150.09135	0.7
154.07738	0.8
156.07999	0.6
157.06487	2.4
157.10130	3.2
158.09595	0.8
159.08040	7.9
159.11667	1.1
160.07541	6.6
161.05934	1.0
161.09566	3.8
163.07500	3.1
167.08482	1.0
169.06528	0.5
169.10034	1.0
170.07254	5.2
171.08022	1.8
172.07545	1.6
172.11163	0.8
173.09590	3.4
174.09122	45.6
175.09659	1.0
175.11165	3.3
176.07047	0.7
176.10684	4.7
177.05481	0.5
177.09073	2.0
179.64073	0.5
183.08063	1.2
184.07556	2.0
184.11154	0.7
185.05968	1.4
185.09596	30.3
186.09079	10.4
186.12753	1.4
187.07556	0.6
187.11157	4.8
188.10645	5.0
189.09082	13.2
190.12251	4.0
194.08025	0.7
198.09177	0.9
200.10690	10.0
201.11569	3.0
202.12247	66.4
203.06918	0.9
203.11790	20.3
204.06529	7.7
204.13792	2.5
205.08575	2.4
206.08138	0.7
211.11105	0.5
212.10701	2.6
213.09093	1.9
214.08617	1.6
214.12135	2.5
215.11874	1.1
217.13301	1.7
219.10219	1.9
219.14931	4.9
220.09946	0.6
220.13268	3.8
224.10771	0.6
226.12172	1.3
227.13211	0.5
228.10127	1.2
228.13739	1.6
229.09698	8.3
229.13261	0.9
230.08160	0.7
230.11754	4.9
231.10072	17.4
233.12871	1.0
235.14340	0.7
236.12703	1.0
240.13858	0.7
246.11273	1.1
247.14368	2.0
248.12619	22.8
249.12361	0.9
252.13927	2.2
252.16150	0.7
253.14610	1.5
254.15388	0.9
255.11314	0.8
256.10443	0.6
256.16876	0.9
257.09189	11.2
257.16409	3.3
259.10730	2.0
263.13864	0.6
265.15430	20.5
269.16391	1.4
270.17261	1.8
271.18005	1.3
272.16629	1.0
273.19370	1.2
274.10522	0.7
274.18100	1.2
275.13861	3.6
275.21231	0.7
280.13312	1.8
281.16595	1.0
293.14905	6.0
297.15930	3.2
299.10339	3.6
299.17752	0.5
301.19043	0.8
302.18701	3.1
303.13281	1.2
304.13071	0.8
313.15411	0.7
314.18762	1.1
315.17041	1.6
317.18582	1.0
318.14792	0.9
318.21698	0.8
319.19992	3.5
320.16257	0.8
321.14453	3.1
325.15421	2.4
326.15866	0.6
329.18439	0.9
330.17999	0.6
342.18091	2.0
346.21335	1.4
346.55096	0.5
347.19629	4.3
358.17676	1.9
359.15820	2.2
360.19183	10.5
364.22256	1.5
374.20636	2.4
375.19540	1.1
387.20627	5.3
388.18750	1.5
389.22293	0.9
392.21863	2.5
396.22745	0.6
404.18710	0.9
404.23349	3.8
405.21674	0.7
411.19174	1.1
415.20300	0.8
420.21204	2.7
421.21161	2.1
432.17157	0.9
432.22821	13.3
433.21777	0.9
434.24417	2.4
443.19504	0.6
448.22723	0.6
449.20401	4.3
449.25372	0.7
450.24261	2.7
460.22330	10.8
460.28983	0.9
461.20966	0.9
477.25064	3.5
478.23279	11.9
488.22168	0.8
493.32794	0.6
494.22021	0.7
495.26117	3.8
505.24429	2.0
506.23026	5.5
514.27014	0.8
522.22467	1.7
523.25488	13.5
531.29614	5.3
533.23920	1.4
534.22827	0.7
551.24976	26.2
552.25165	0.9
559.29077	5.7
561.30957	0.7
576.31647	1.5
577.30219	3.8
578.33228	1.5
579.24341	1.3
587.28577	69.2
588.28693	3.0
594.32306	0.6
604.31219	5.1
605.29871	6.2
621.29053	1.0
622.32227	32.5
623.32831	1.0
632.30664	9.6
633.29651	1.1
650.31750	100.0
651.32147	4.8
726.30804	0.8
807.37018	11.0
853.37646	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	853.3757
Annotation	Unknow
Peak:m/z	Relative Intensity
63.04101	0.4
68.05025	8.9
69.05433	0.6
69.05804	10.5
70.06223	0.7
70.06585	8.0
70.26724	2.1
72.08149	18.9
80.05009	0.6
82.06565	1.3
84.08124	1.3
85.56505	0.5
91.05480	4.1
93.07004	0.4
94.02892	0.7
95.04918	0.8
96.04478	4.4
98.05450	0.8
98.06046	13.3
103.05457	1.3
106.06496	0.6
107.04967	1.0
114.05515	2.1
115.05434	1.1
117.05709	0.5
118.06494	1.5
119.04937	2.4
120.08096	17.3
122.09660	13.7
123.04450	1.1
124.03941	2.5
124.11209	1.1
129.06979	2.2
130.06483	0.7
131.04921	0.8
131.07281	3.1
131.08258	0.6
132.08076	9.9
134.06007	9.5
135.06786	1.7
136.07568	20.1
136.11208	0.5
137.07048	0.5
141.06934	0.5
144.06607	0.8
144.08101	0.5
145.06490	2.5
146.05957	1.1
146.09613	1.7
147.04367	1.4
148.07529	1.4
149.10721	0.7
150.09175	0.5
151.04999	0.9
152.05777	5.3
152.10709	5.6
156.08090	0.8
157.06453	3.2
158.09645	0.6
159.08070	3.5
160.07582	1.7
161.08350	0.5
162.05530	0.5
162.09109	2.2
164.07095	0.6
165.05478	3.5
165.10217	3.0
169.06491	1.2
171.08005	0.5
172.07603	0.6
174.09132	100.0
175.09538	2.3
182.08102	5.2
184.07568	3.6
185.05980	3.7
185.09630	1.3
186.09129	14.0
187.09700	0.7
187.12323	1.4
188.07153	0.6
188.10637	2.8
190.12279	1.7
193.09708	6.0
195.07617	1.0
197.12848	5.6
198.09061	0.7
200.10689	0.7
202.08658	2.2
202.12297	2.8
203.11777	45.2
204.12100	0.9
211.72621	0.5
213.10249	3.4
214.08675	0.9
215.11873	2.2
216.10164	0.8
220.09708	0.9
221.09239	3.3
221.12329	0.5
226.08621	0.6
228.13881	1.6
231.11327	2.5
233.12901	1.5
235.14415	0.5
240.01945	0.5
243.11218	7.5
249.12398	1.3
254.11803	1.0
257.16492	2.8
259.10822	1.7
261.12405	2.0
264.16916	0.6
273.15958	0.7
279.13403	1.0
283.14453	0.7
285.12372	7.0
285.15674	0.9
292.13568	0.5
292.16391	2.3
299.13943	0.8
300.16995	5.2
302.18704	3.2
314.18787	1.1
323.17377	0.5
328.16553	1.6
330.18622	1.0
331.16425	1.6
346.17529	0.5
356.16049	7.8
358.17389	0.6
360.19208	5.9
366.13477	0.8
374.17325	1.0
383.16040	2.9
395.15701	0.7
399.23901	1.0
412.18723	2.0
426.19962	1.0
427.23495	4.5
428.23959	0.8
441.25107	0.6
455.22879	9.7
469.24438	1.3
483.22382	17.0
484.22559	1.2
492.21307	2.4
509.23944	10.9
510.24094	0.8
520.20959	1.0
521.23395	0.7
536.20508	0.6
537.23553	6.0
538.23303	0.6
565.22900	9.1
566.22852	0.9
608.30933	0.8
618.29242	7.7
619.28418	1.5
620.30420	0.8
635.26874	3.3
636.30219	22.1
637.30579	1.5
646.28546	2.2
648.30011	0.8
664.29718	92.4
665.30054	6.7
807.37085	0.9
853.37128	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	853.3122
Annotation	Unknow
Peak:m/z	Relative Intensity
60.05642	4.7
63.04297	2.1
65.03931	5.2
67.05495	4.8
70.06581	12.3
70.63777	7.9
72.08125	2.8
79.05463	4.0
80.04993	2.1
81.03442	3.9
81.07043	4.5
82.06567	3.0
84.08097	2.5
85.02909	3.8
91.05471	7.6
93.07022	11.9
94.06564	17.4
95.04948	5.2
95.07327	9.1
95.08607	3.9
96.08106	24.0
97.06496	2.8
103.05470	3.2
104.05009	2.5
105.07024	2.4
106.06524	4.4
107.08620	2.4
108.04465	6.7
108.08107	39.5
110.09671	40.5
116.04963	6.5
116.07120	3.3
118.06503	2.8
119.08601	3.8
120.04443	9.3
120.08098	30.2
121.06514	2.7
122.03383	2.5
122.06010	12.5
122.09647	3.1
124.07567	24.7
131.41313	2.4
132.08130	3.1
134.05952	12.0
136.07561	41.5
137.05943	3.3
138.05429	3.0
138.09122	47.4
144.04425	16.3
145.68254	2.6
146.05984	24.8
148.07558	15.1
150.05493	3.8
150.09270	2.6
152.07045	9.3
157.07564	2.5
160.03905	3.6
160.07507	4.3
162.05458	13.5
163.06300	4.2
164.07088	9.2
166.08636	62.0
167.07021	4.7
172.02437	5.2
172.03922	71.4
172.05351	4.8
174.05482	6.2
175.11865	10.3
176.07051	19.2
178.04958	8.3
190.04979	52.8
196.09796	2.9
197.10686	2.8
199.12238	3.3
204.06548	100.0
206.08214	3.1
209.10762	4.1
210.53995	2.4
211.08606	3.0
211.12350	2.6
212.09256	3.6
213.10252	5.5
215.11870	2.8
223.08563	3.0
225.06721	3.0
225.10197	10.6
226.11064	4.0
227.11838	5.8
229.09682	3.4
236.09363	4.9
237.10173	8.6
238.10861	3.4
239.08208	2.6
239.11705	11.0
241.09692	5.8
241.13199	2.9
243.11246	9.4
249.10178	6.6
250.10970	5.9
251.08020	3.2
251.11783	9.4
253.09755	11.6
253.13388	4.8
255.11269	13.1
257.12994	4.8
261.10159	2.9
262.10950	5.9
263.08020	3.1
263.11746	6.0
264.08902	7.2
265.09723	18.1
265.13367	4.2
266.10440	10.3
267.11270	24.4
269.09164	2.4
269.12750	6.5
271.10770	6.5
273.12323	8.9
275.11914	3.2
277.09717	10.2
278.10461	8.4
279.11200	20.9
280.08289	3.6
280.11935	2.3
281.12860	9.0
283.10715	6.1
284.99515	2.7
285.12399	19.9
287.10172	6.6
287.13947	3.2
289.09787	2.9
291.11234	6.5
293.09106	13.2
293.12451	4.4
294.10004	5.1
295.10678	8.7
295.14288	2.8
296.11447	2.7
297.12225	16.1
299.10571	3.8
299.13889	48.5
301.11932	4.4
303.13647	13.6
305.09207	5.9
306.09903	5.9
307.10693	14.1
309.12238	11.3
311.10263	6.8
313.11963	14.5
317.15216	3.2
319.10812	5.7
321.12198	18.2
322.09033	14.6
323.10248	25.2
324.10779	3.9
325.11789	53.4
326.12390	3.1
327.13364	23.3
334.15051	3.0
336.07025	3.7
336.10864	3.8
337.11804	4.9
339.13388	5.6
340.10257	9.3
341.11209	7.1
343.12909	17.4
347.10095	3.7
352.62897	2.8
355.12741	3.6
356.13620	3.1
357.14462	34.5
359.16013	10.0
366.12073	4.3
370.15463	2.6
371.12796	3.1
372.13278	9.1
373.13980	24.1
374.14798	6.4
376.16415	3.7
386.15021	6.5
387.15775	15.9
388.16473	5.6
398.15045	3.5
400.16458	4.5
402.14258	4.3
404.15808	5.5
412.16364	2.7
414.14371	6.5
415.15048	9.8
416.15836	14.7
418.17319	3.2
430.17273	3.5
432.15326	7.6
434.16824	2.9
439.11322	2.8
444.15433	3.1
446.16461	3.9
447.17822	2.6
451.11246	3.6
454.13690	2.5
460.18610	2.7
461.14926	3.4
462.15915	5.0
464.18036	3.9
474.16437	15.1
476.18100	7.9
490.19717	5.1
491.20520	3.1
493.12350	5.9
499.13184	10.3
506.19138	4.1
511.13434	12.7
520.20361	2.5
531.15796	3.9
546.18408	2.8
550.21014	3.3
581.23749	3.8
585.23322	5.1
599.24683	3.9
609.23602	9.3
610.24127	12.5
611.24768	9.5
614.17804	2.9
627.24445	52.7
628.24939	8.9
629.25519	3.8
638.19623	2.7
645.25256	23.5
646.19678	4.7
659.26721	6.1
664.21265	50.6
665.22186	12.4
668.20135	2.7
678.22638	4.6
696.23474	10.3
767.24939	5.8
785.25574	7.4
803.27032	10.4
821.28131	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	851.4816
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03923	1.8
67.05497	52.6
69.03390	0.8
69.07059	24.0
71.04977	1.6
71.08616	2.1
79.05484	15.1
81.03406	1.0
81.07046	62.1
83.04987	2.0
83.08607	10.5
85.06516	1.8
85.10149	1.0
87.01991	0.8
89.06014	2.5
91.05464	10.8
93.07030	16.1
95.04946	2.8
95.08596	51.1
97.06528	4.9
97.10168	7.7
98.98457	72.5
99.08067	2.0
105.07014	8.6
107.08574	10.9
109.06473	1.4
109.10142	21.8
111.08061	3.5
111.11707	0.9
116.99486	3.1
119.08540	7.1
121.10143	9.8
123.08083	0.9
123.11686	9.7
125.09604	1.2
127.11193	1.0
133.08578	1.1
133.10100	9.3
133.72975	0.8
135.11678	6.1
137.09586	1.4
137.13272	4.0
147.11671	4.4
149.13264	4.5
151.14786	4.6
155.01022	69.6
161.13258	5.5
163.14856	3.6
165.16391	3.2
173.02121	4.5
175.14777	3.6
177.16367	0.9
189.16380	2.2
227.20009	1.8
230.30368	1.4
233.05695	0.8
245.22623	16.2
263.21387	0.7
263.23669	43.5
337.27332	100.0
338.27701	3.0
635.39557	0.8
648.37939	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	850.6085
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04996	11.7
65.03961	0.7
67.05499	5.5
68.05826	1.4
69.03423	1.0
69.07059	2.3
71.04972	0.9
71.08625	42.9
73.02911	2.4
73.06546	5.1
79.05498	2.0
81.03412	0.9
81.07051	2.9
83.08591	1.3
85.02881	0.7
85.10172	35.4
87.04460	19.1
89.06023	100.0
91.05462	1.6
93.07040	1.5
95.08603	1.7
97.02860	0.7
97.10165	0.6
98.20627	0.9
99.11710	3.5
103.07570	7.7
105.07010	0.9
107.07056	3.4
107.08567	1.0
109.10149	3.3
113.05988	1.1
113.15154	0.6
117.09124	5.7
119.08537	0.6
121.10075	0.7
129.07042	0.5
130.08627	4.0
131.07024	7.8
133.08594	71.4
133.94077	0.6
135.10132	0.9
135.11702	0.7
141.16336	3.9
151.09560	0.8
152.73120	0.6
159.10239	0.7
161.11691	1.7
161.13029	0.5
173.11728	1.0
175.09674	4.6
176.57149	0.5
177.11209	24.0
177.12613	0.8
179.12645	0.6
199.20534	3.5
219.12265	2.1
221.13872	5.5
223.15324	0.6
229.14328	1.8
230.14651	1.6
239.14888	1.1
243.23181	3.5
261.21936	0.5
262.22400	0.8
265.16464	0.6
267.17917	0.7
283.17468	1.7
309.18915	0.8
310.39642	0.5
327.20166	1.3
335.25763	1.3
336.26089	1.1
337.26517	0.6
353.21558	0.8
371.22778	0.6
380.30606	0.6
385.43701	0.6
489.35510	0.8
490.35986	1.2
491.36340	0.9
635.38043	2.5
833.57855	0.9
850.61469	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	850.4989
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04992	6.6
59.27467	1.1
61.02913	1.5
67.05504	7.8
68.99777	1.3
69.03414	10.4
69.07059	37.5
70.06580	3.9
71.04985	2.6
71.08611	1.7
71.75157	1.4
72.08143	1.1
73.02905	2.3
73.06552	1.7
79.05473	2.8
81.03410	10.4
81.07042	13.6
83.04967	1.3
83.08608	86.3
85.02896	15.7
85.06520	2.1
86.09707	2.3
87.00814	7.7
87.04461	13.6
89.06018	100.0
91.05470	2.0
93.07039	2.3
95.04929	2.9
95.08586	9.0
97.02881	6.7
97.10162	27.4
99.04439	3.3
99.77615	1.0
103.07598	1.8
105.01855	3.7
105.07009	2.3
105.42960	1.1
107.07063	3.5
107.08557	2.1
109.02848	6.3
109.10154	6.6
117.09155	2.4
119.08546	1.4
120.59953	1.1
121.06441	1.5
121.10155	1.5
123.11700	4.1
125.13231	4.4
127.03904	10.0
130.08665	1.8
131.07005	5.1
133.08586	81.9
135.10162	1.1
135.11617	1.1
136.07578	1.2
137.13242	1.4
145.04958	2.7
147.11705	1.5
157.15891	1.7
159.02876	2.1
159.11642	1.5
165.16487	1.2
175.09654	4.7
177.11197	39.1
179.17953	1.3
179.90295	1.2
197.18950	2.4
201.18452	3.8
219.12215	2.2
221.13841	9.9
227.12598	1.2
231.04994	2.5
239.14867	3.2
241.21581	5.6
265.16315	1.6
283.17422	6.4
285.24133	1.9
309.18997	1.8
327.20120	7.9
353.21695	3.0
371.22705	32.5
385.24203	1.2
411.25790	4.6
413.45526	1.2
415.25497	1.6
425.27332	1.4
429.26895	1.3
567.40863	20.7
585.42145	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	850.3996
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03932	6.5
67.05494	1.3
68.05018	0.8
69.03414	0.6
69.07044	0.9
69.48714	1.1
69.49122	5.3
70.06587	23.5
71.08624	3.7
72.08138	1.2
72.44923	0.5
72.88377	0.5
74.06033	0.5
79.05479	0.6
81.03411	0.6
81.07041	0.9
84.08099	0.8
85.10180	1.0
88.07622	27.6
91.05463	1.1
95.04946	0.9
95.08561	0.7
96.83199	0.5
102.09174	23.3
105.03371	0.6
112.59674	0.5
114.25635	0.6
121.02823	2.6
131.04924	0.9
133.02794	1.0
139.03870	3.0
147.04356	1.5
149.02338	100.0
149.03415	6.6
150.02682	1.5
152.10693	0.6
166.12202	0.9
175.03928	3.3
177.05473	1.8
183.90710	0.6
191.07074	1.1
193.04951	52.3
194.05365	0.9
196.13995	0.5
212.23807	1.1
217.29041	0.6
219.06523	2.7
237.07550	13.6
237.09842	0.8
256.26343	81.6
257.26685	2.1
269.04330	0.8
297.03952	1.4
300.28995	2.2
310.23837	1.2
313.07016	1.3
341.06552	4.2
343.08066	1.0
359.07846	2.5
374.30594	0.6
385.09119	7.7
385.13821	0.7
403.67166	0.6
429.11868	1.9
509.68323	0.6
533.10950	1.4
577.13245	8.9
621.16034	16.4
622.16248	1.3
644.48468	0.8
738.54669	0.6
806.53833	0.7
832.39008	2.9
850.40021	90.8
851.40625	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	850.3125
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02404	0.7
65.03919	2.4
67.05483	1.3
69.03432	3.8
70.06591	3.8
71.04980	1.5
71.42638	1.6
72.08138	1.1
74.55574	0.7
74.76626	0.6
79.05489	2.4
81.03416	8.6
84.04471	0.7
84.70231	0.7
85.02908	4.9
86.09695	1.6
87.00806	2.5
91.05479	8.6
93.99345	0.6
94.04174	3.7
95.04977	3.4
97.02883	2.8
97.06570	0.7
99.04450	1.1
103.05455	34.6
103.57879	0.6
105.01851	1.1
105.07007	2.9
107.04969	4.0
108.02070	1.1
108.66695	0.6
109.02883	7.4
109.06482	1.2
111.04416	1.5
113.05984	2.3
115.05479	3.7
117.07029	3.4
118.04156	2.5
119.04921	8.6
121.06493	1.8
122.03644	6.2
123.04420	1.9
125.05985	2.3
127.03914	3.7
128.06238	1.1
129.06992	1.8
130.04147	1.0
131.04918	61.5
132.05263	0.9
133.02876	1.6
133.06467	3.6
134.03598	0.8
135.04433	1.2
135.08029	1.3
137.05965	100.0
138.06284	1.5
139.07555	0.8
141.05446	1.7
143.04916	2.2
144.05659	1.1
145.06491	4.4
146.03641	1.3
147.04398	6.2
147.08069	1.9
148.05173	9.3
149.05968	2.6
150.52614	0.6
151.03900	57.6
151.04968	3.9
151.07513	9.9
153.05434	2.3
157.06485	2.4
159.02873	1.2
159.08095	1.4
160.05211	2.5
161.05920	5.6
162.06683	1.1
163.07526	62.3
164.08047	0.7
165.05467	2.1
167.07010	7.5
169.06441	1.0
171.04445	0.8
173.05943	6.0
174.06831	0.8
175.07520	14.0
175.08920	1.1
176.04646	2.0
177.05457	7.9
177.09113	1.5
179.07027	12.2
179.08507	0.6
181.04935	13.9
181.06403	0.8
181.08556	2.2
187.07529	4.0
188.04639	0.8
189.05440	0.8
189.09132	2.0
190.06227	1.4
191.07014	66.4
193.08624	1.1
195.06505	1.3
197.87622	0.6
199.07510	1.3
201.05550	1.2
201.09036	1.4
203.06956	3.8
203.08646	0.7
205.06673	1.0
205.08571	11.7
207.08223	1.0
207.10133	0.8
209.08022	1.8
211.07536	0.8
213.09189	1.0
215.07027	3.2
217.08531	3.3
219.08183	1.2
219.10205	1.9
221.08047	1.2
222.06673	0.8
223.09621	1.1
227.06952	0.8
231.04778	1.1
233.08105	2.4
234.06738	1.5
235.07570	1.3
235.09662	6.2
237.09123	1.4
241.08597	1.1
245.08032	1.2
247.09752	1.1
249.09166	0.9
251.06870	0.7
257.08044	0.9
259.09631	1.6
263.06738	1.3
263.09167	10.0
265.08295	1.3
265.08875	0.9
265.10715	5.6
267.09961	1.0
269.08145	1.9
269.11795	0.7
277.08514	2.2
278.09131	0.8
283.09824	0.8
285.11264	0.9
287.09143	1.9
293.07968	0.8
293.11667	0.8
294.08875	1.0
295.09637	1.9
297.11124	1.6
297.53516	0.7
300.09882	0.8
307.09756	1.3
309.11264	1.6
321.11282	0.8
322.08017	0.8
325.10638	1.6
327.12326	2.3
329.13721	1.6
339.12524	1.0
341.13702	1.0
353.13864	1.5
355.11777	6.9
357.13254	1.6
359.14804	0.9
369.13293	2.9
371.14905	2.3
385.16449	0.9
387.14368	18.1
427.12732	0.8
454.86774	0.8
517.18604	7.3
519.20227	1.5
549.21356	3.5
551.22351	1.1
590.65344	0.7
840.85303	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	850.3119
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02903	1.1
62.68279	0.4
65.03920	1.4
68.99773	0.8
69.03424	4.2
70.06570	1.0
70.28933	1.7
70.29349	0.8
71.04964	0.5
72.08141	0.6
72.86087	0.6
73.02906	0.7
74.90674	0.5
79.05476	1.2
81.03413	4.0
84.08114	0.7
84.10697	0.4
85.02900	9.7
87.00812	3.2
91.05460	3.9
93.03371	0.6
94.04224	0.5
95.04918	0.7
96.37829	0.5
97.02873	3.4
99.04425	1.2
100.90638	0.5
103.05433	2.0
105.01856	1.2
105.07014	2.3
107.04924	2.0
109.02862	4.5
110.03670	1.1
111.04405	1.6
115.05455	1.1
117.01875	0.6
117.06974	0.6
118.04212	1.0
119.04911	3.0
119.08589	1.2
121.02846	1.4
121.06510	0.9
122.03669	0.9
123.04411	1.4
125.05968	1.5
127.03892	4.4
128.06174	0.8
129.01804	0.7
129.06995	1.7
131.04918	2.7
132.05698	0.7
133.02827	3.7
133.06470	1.7
133.64937	0.5
135.04417	0.7
137.05948	8.3
145.04915	0.8
145.06442	1.3
147.04402	3.4
147.08023	1.9
149.05966	1.4
151.03880	1.0
151.07555	2.0
152.04643	0.5
153.05423	3.0
157.06400	0.7
159.02872	2.5
159.04280	0.9
159.08000	3.2
160.05171	1.0
161.05945	2.4
161.26163	0.5
163.07564	1.6
165.05577	1.1
165.06885	1.1
167.07025	25.0
169.06465	1.0
171.04362	0.5
171.86615	0.5
175.07542	6.3
175.52156	0.5
177.05531	0.6
177.09064	0.9
178.07713	0.8
179.07042	2.5
179.08459	0.7
181.04961	4.9
181.06424	1.0
185.06012	1.3
187.07483	2.9
189.07010	1.2
190.07840	1.5
191.07013	5.3
191.08565	2.0
193.06519	0.9
193.08568	2.1
193.10146	0.9
194.07266	1.5
195.08070	1.8
199.07542	2.5
202.07758	1.9
203.08549	1.4
204.09306	0.6
205.06499	2.2
205.08443	0.7
206.07309	1.1
207.08054	2.6
208.08803	1.4
209.09607	0.8
211.07460	0.9
211.51361	0.6
215.08688	0.7
217.08450	0.6
218.07234	2.1
219.08009	6.0
220.08801	3.3
221.04121	0.6
221.05965	2.2
221.09636	1.4
222.06715	1.3
223.07535	2.3
224.08371	0.9
225.08995	0.9
227.07028	0.8
229.08589	0.8
230.07201	1.1
231.05017	1.3
231.08017	3.5
232.08794	1.7
233.05937	1.4
233.09607	1.2
233.14389	0.5
234.06822	1.8
235.07474	4.9
236.08292	4.5
237.05443	0.6
237.09111	3.9
238.06274	1.1
239.06938	0.9
246.06691	1.1
247.07468	3.9
248.08311	5.0
249.05434	1.7
249.09132	4.0
250.06320	1.7
250.09883	0.9
251.06931	2.2
251.10674	3.7
252.07779	1.0
253.08566	2.9
254.09325	0.9
258.06668	0.6
259.07541	1.2
260.08206	1.2
261.09125	2.7
262.06342	0.8
262.09869	1.5
263.06985	3.0
263.10687	1.8
264.07870	3.6
265.08591	10.1
266.05984	0.9
266.09299	3.1
267.10040	2.0
269.11694	0.7
273.05359	0.8
273.09048	1.6
275.06992	1.7
276.07755	4.0
277.08578	3.7
278.05902	0.9
278.09241	2.5
279.07101	0.9
279.10107	5.2
280.06940	0.8
280.10944	2.1
281.08075	5.7
281.11600	1.5
282.08774	1.5
283.09525	2.5
288.07635	0.8
289.08560	1.9
290.05994	0.7
290.09354	1.8
291.06863	1.0
291.10098	9.4
292.10764	0.8
293.08051	4.4
294.08810	2.4
295.09619	1.8
296.10367	1.1
296.19574	0.5
297.11255	1.7
301.08554	2.4
304.07346	1.2
305.08032	1.8
305.11423	1.0
306.08847	0.8
307.09622	4.5
308.10385	3.2
309.11136	8.2
310.11920	0.6
311.09311	1.5
311.12711	28.6
315.11874	0.7
319.09631	14.6
320.10202	2.7
321.11172	2.2
322.08255	1.3
323.09070	1.5
323.12784	1.9
324.09866	1.4
325.10727	2.8
325.14417	1.1
326.11456	1.0
329.13812	3.5
336.09833	1.0
336.13400	1.1
337.10672	40.8
337.13873	1.7
338.11349	4.4
339.12256	34.7
340.12808	2.3
341.13751	4.3
351.12225	32.8
352.12885	3.3
353.13712	2.3
354.10846	0.7
355.15274	0.6
357.13309	6.6
369.13300	100.0
370.13620	2.9
381.13028	1.2
387.14539	2.7
431.78217	0.7
489.19211	0.8
501.18661	1.5
547.38556	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	848.6294
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04713	2.7
59.04992	38.4
69.07050	3.0
69.09513	1.7
71.08621	100.0
73.06517	1.8
74.00885	1.9
81.07063	1.7
83.08624	3.3
85.10168	86.0
85.10683	4.2
87.04453	10.9
89.06016	66.6
90.01916	3.0
95.08566	1.9
97.10155	5.4
99.11729	14.7
107.07056	3.2
113.13281	5.2
117.09114	17.4
130.08623	4.8
131.06989	3.0
133.08588	42.8
155.17926	9.7
175.09612	4.5
177.11180	16.7
196.18146	1.8
213.22081	15.2
221.13866	3.3
243.48116	1.9
271.26282	15.9
494.87222	2.1
503.30118	4.0
535.44122	2.2
554.70703	2.0
848.63165	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	850.3116
Annotation	Unknow
Peak:m/z	Relative Intensity
60.03115	0.4
61.02909	1.0
65.03920	1.9
67.05498	0.6
68.99772	0.7
69.03421	4.8
70.06564	0.8
71.05006	0.6
73.02904	0.8
79.05478	0.5
81.03414	5.5
85.02892	7.9
87.00825	4.0
91.05476	3.6
91.51958	0.4
93.03365	0.5
95.04939	1.4
97.02884	2.9
99.04444	1.6
103.05457	1.4
105.01852	2.1
105.03375	0.5
105.07036	1.2
106.04186	0.4
107.04955	2.1
109.02854	4.1
109.06508	0.5
110.03643	1.5
111.04436	1.6
115.05430	1.3
117.01807	0.8
117.07021	0.6
118.04132	0.6
119.04952	3.0
119.08604	0.6
121.02840	2.1
121.06507	1.1
122.03616	0.5
123.04376	1.3
124.05169	0.6
125.05951	1.5
127.03894	4.8
128.06261	0.8
129.01802	0.8
129.07002	1.2
131.04881	2.7
132.05696	1.0
133.02850	3.6
133.06483	1.3
135.04358	0.5
137.05969	7.6
138.03053	0.5
141.07002	0.5
144.05679	0.8
145.04958	1.5
145.06488	1.6
147.04384	3.5
147.08026	0.8
149.05977	1.6
151.03891	0.6
151.07526	1.7
152.04697	0.6
152.08321	0.6
153.05467	4.4
157.06508	0.5
158.07246	0.6
159.02979	2.2
159.04199	0.6
159.08073	2.8
160.05180	1.3
161.06009	2.1
162.06612	0.5
163.07539	1.4
165.05464	1.2
165.06873	0.9
167.07027	25.6
169.06456	0.6
171.06612	0.6
171.08022	0.7
175.07538	6.3
176.04678	1.0
177.05363	0.9
177.09048	1.2
178.07770	1.1
179.07027	2.5
179.08443	1.0
181.04930	4.2
185.05910	1.3
185.09550	0.4
186.06787	0.7
187.07460	2.7
189.03888	1.0
189.05466	0.8
189.06973	0.8
190.07745	1.3
191.06995	5.1
191.08574	1.9
192.09238	0.6
193.06541	0.6
193.08598	1.8
194.07246	1.4
195.08067	1.6
197.05881	0.7
199.07484	2.1
201.09126	0.9
202.07756	2.2
203.08511	1.9
205.06444	1.8
205.08253	0.4
206.07208	0.9
207.08075	2.3
208.08812	1.7
209.07980	0.6
209.09731	0.6
210.06709	0.9
211.07552	0.9
215.08682	0.6
216.07669	0.6
217.06546	0.6
217.08513	0.9
218.07266	2.7
219.08049	5.3
219.10016	0.7
220.05212	0.6
220.08824	3.7
221.05952	2.6
221.09613	1.7
222.06761	1.5
223.07503	2.0
224.08334	0.6
225.09108	1.5
226.06317	0.8
227.07011	0.9
229.08536	0.9
229.90164	0.5
230.07175	1.1
231.04950	0.5
231.05708	0.5
231.08047	4.0
232.08841	1.7
233.05951	1.6
233.09648	1.4
234.06795	1.6
235.07509	5.6
235.11163	0.6
236.08298	4.2
237.09058	4.4
238.06271	0.8
238.09996	0.5
239.06914	1.4
242.45776	0.4
243.08003	0.7
245.09637	0.8
246.06712	1.2
247.07506	4.1
248.08351	4.4
249.05377	1.0
249.09055	3.9
250.06241	1.6
250.09897	1.2
251.02661	0.4
251.07027	2.8
251.10686	3.7
252.07709	1.7
252.10786	0.6
253.08585	4.0
254.09178	0.5
255.10223	0.7
257.08057	0.7
259.07489	1.8
260.08392	1.2
261.05435	1.2
261.09119	3.0
262.06442	0.6
262.09891	1.3
263.07007	2.8
263.10672	2.4
264.07806	3.8
265.08569	10.4
266.05768	0.7
266.09338	2.3
267.10040	2.4
269.11636	0.8
273.09085	2.2
274.06308	0.8
275.07004	1.9
276.07791	4.6
277.08566	2.8
278.06097	0.6
278.09323	2.1
279.06708	0.8
279.10178	4.3
280.07458	0.8
280.10873	1.6
281.08063	5.5
281.11807	1.5
282.08896	1.0
283.09619	2.3
289.05325	0.6
289.08481	2.6
290.06177	0.5
290.09241	2.1
291.06842	0.9
291.10114	9.8
292.07336	0.7
292.10718	0.5
293.08090	4.0
293.11365	0.7
294.08765	3.6
295.09579	2.6
296.10349	0.8
297.11160	1.9
301.08521	1.5
303.10117	0.7
304.07224	1.5
305.08142	1.9
305.11453	0.6
306.08838	1.1
307.09659	5.8
308.10342	3.5
309.07819	0.5
309.11151	8.1
311.12735	31.5
313.10678	1.1
319.09634	17.8
320.10272	2.4
321.07849	0.5
321.11121	2.5
322.08267	1.0
323.09067	1.6
323.12851	2.4
324.09885	1.1
325.10663	3.7
325.13965	0.7
326.11456	1.4
329.13815	3.1
336.09888	0.8
336.13486	1.1
337.10669	45.1
337.13885	1.8
338.11362	4.5
339.12259	34.8
340.12875	2.1
341.13867	5.2
351.12238	37.8
352.12933	3.0
353.13568	2.5
357.13321	7.3
363.12268	0.7
369.13297	100.0
370.13617	3.0
381.13403	1.9
387.14496	2.5
473.84320	0.4
489.18945	1.5
499.16885	0.6
501.18951	1.9
503.20422	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	848.4995
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05002	3.4
61.02608	0.8
61.02922	12.8
65.03936	2.9
67.05500	100.0
68.05824	0.9
69.03423	2.8
69.07066	10.0
69.44403	0.4
69.58338	1.7
69.58763	1.4
71.04993	3.6
71.08622	0.8
73.02915	4.2
73.06548	0.4
75.04579	0.4
79.05486	21.0
81.03442	1.8
81.03853	0.3
81.07050	42.3
82.07362	0.4
83.04971	1.3
83.08612	8.3
85.02381	0.7
85.02901	14.4
85.06531	3.0
87.04433	0.6
91.03535	0.3
91.03953	9.3
91.05473	16.6
93.07037	30.4
95.04963	2.5
95.08600	29.0
97.02885	7.8
97.06529	1.8
97.10165	3.1
98.20734	0.8
99.04443	0.9
99.08081	1.0
103.03915	0.6
105.07022	8.8
107.08585	16.0
109.02870	0.9
109.06528	1.0
109.10147	85.1
110.10481	0.7
111.08060	3.4
115.03941	0.6
117.07009	3.8
119.08573	11.6
121.06551	0.5
121.09258	0.7
121.10134	14.9
122.10450	0.4
123.08055	0.8
123.11699	5.1
125.09612	1.7
127.03923	4.0
127.11194	0.5
129.06964	0.5
131.08562	6.4
133.10120	5.8
135.11684	10.5
137.09612	3.7
137.13254	1.1
143.08588	0.5
145.04956	3.5
145.10103	5.0
147.11676	4.9
149.13243	6.8
151.14766	0.4
155.10654	4.5
156.86797	0.3
159.11696	5.3
161.13246	3.7
163.06001	4.6
163.14796	3.6
173.11755	24.1
173.13254	4.2
175.14807	1.9
177.16400	1.2
179.14281	0.5
180.08585	0.4
185.13275	0.5
187.14809	2.1
189.11261	1.2
199.14862	0.5
201.16444	1.3
213.14836	0.5
227.12735	6.1
229.14331	99.6
230.14651	1.8
233.22646	1.2
243.21063	6.3
259.20633	0.5
261.22134	24.0
262.22513	0.7
263.23737	0.6
299.23795	0.6
317.24777	4.0
333.24258	0.5
335.25772	77.3
336.26086	1.9
373.18524	0.5
379.29953	1.4
397.31116	1.9
415.32260	1.4
449.32623	0.5
471.34644	2.6
489.35724	77.7
490.36023	3.3
507.36740	7.4
522.34894	0.4
633.39941	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	848.4994
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04996	3.6
61.02922	11.0
65.03936	2.2
67.05499	94.0
69.03417	3.2
69.07063	7.9
69.59560	4.8
71.04994	3.3
71.08617	1.4
73.02911	3.8
79.05486	18.3
81.03422	1.2
81.07047	35.7
81.92070	0.6
83.04948	0.7
83.08616	8.4
85.02896	14.6
85.06538	3.4
91.03947	9.5
91.05471	12.5
93.07037	21.8
95.04955	2.0
95.08596	26.2
95.09204	1.4
97.02879	7.1
97.06515	1.5
97.10165	2.2
99.04477	1.4
99.08103	1.2
103.03943	0.6
105.07006	6.7
107.08582	14.0
109.02841	0.7
109.06508	1.0
109.10146	80.0
110.10509	1.1
111.08071	3.6
115.03901	1.5
117.07025	3.5
118.38402	0.6
119.08575	11.3
119.78379	0.5
121.10134	10.7
123.08070	0.7
123.11683	3.6
125.09621	1.0
127.03862	2.9
130.64651	0.6
131.08553	4.8
133.10123	4.4
135.11679	6.6
137.09595	3.9
137.13237	1.4
145.04953	4.6
145.10147	3.8
147.11652	4.0
149.13237	5.4
155.10669	3.7
159.11668	3.4
161.13239	1.9
163.05957	5.4
163.14789	2.4
171.11584	0.7
173.11745	24.6
173.13232	3.8
175.14789	0.8
177.16354	1.2
187.14787	2.2
201.16328	0.8
227.12746	6.8
229.14328	100.0
230.14735	1.7
233.22610	0.9
243.21078	4.9
259.20691	0.6
261.22119	18.7
317.24713	3.5
333.23825	1.0
335.25778	64.8
336.26031	2.4
379.29929	0.9
397.30841	2.2
415.31879	1.8
471.34845	2.5
489.35733	45.8
490.36008	1.9
507.36743	6.6
742.50464	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	841.3495
Annotation	Unknow
Peak:m/z	Relative Intensity
59.25159	0.7
60.53965	0.7
61.02897	1.9
62.85976	0.8
63.20461	0.6
65.03925	1.1
65.97042	0.7
66.65171	0.7
67.05492	2.2
69.03423	6.1
70.06580	3.7
71.41811	1.5
73.02914	1.2
79.04132	0.8
79.05466	3.6
80.04987	1.3
81.03401	2.3
81.05770	0.7
82.06563	1.7
84.08079	0.7
85.02905	8.5
86.09684	1.1
87.04420	0.9
91.05482	2.5
92.04977	0.9
93.05759	1.7
93.07027	5.6
94.06566	9.7
95.04964	1.5
95.07330	5.1
96.08118	12.8
97.02860	4.0
97.06515	1.0
103.05449	1.5
105.07015	1.0
106.06546	6.2
107.07329	3.2
108.04469	1.5
108.08101	18.3
109.08865	1.1
110.06019	1.6
110.09665	21.9
110.10429	1.2
112.07557	0.7
116.04975	2.0
118.06542	1.4
120.04447	3.4
120.08088	19.8
122.06013	18.9
122.06785	0.6
122.09647	4.6
124.07574	12.4
127.03906	1.5
131.07243	0.9
132.08087	2.2
134.06010	3.7
134.09607	2.7
136.07561	25.1
137.05923	1.0
137.08327	1.1
138.05499	2.5
138.08047	1.7
138.09122	33.6
140.07021	1.3
144.04428	5.1
144.08061	0.8
144.26755	0.7
146.05986	24.5
146.09630	1.7
147.06499	0.7
148.07552	19.4
150.05528	1.1
150.09125	15.0
152.07051	20.7
154.04910	0.7
158.06029	1.4
160.03905	1.5
160.07574	2.9
160.58267	0.7
162.05502	3.4
162.09096	1.5
164.07065	11.8
166.08618	86.8
167.08969	1.2
171.43684	0.7
172.03923	26.7
172.07600	1.0
174.05505	2.4
176.07057	3.0
178.04927	1.1
178.08562	1.0
180.10010	0.9
182.08128	3.4
182.09599	1.0
184.09941	1.3
185.10686	0.8
188.03329	1.1
188.07037	1.2
190.04965	20.6
192.06541	1.1
196.09897	1.3
197.10701	3.3
198.11526	2.8
199.08636	0.9
199.12209	2.6
200.07159	0.8
201.10281	1.2
204.06546	38.7
205.06955	1.4
206.08179	1.6
209.10683	3.4
210.09718	0.7
210.11456	4.5
211.08820	0.9
211.12273	7.0
212.09476	1.5
212.13028	2.1
213.10181	1.6
213.13927	0.9
218.08109	4.5
221.10623	1.7
222.11363	1.3
223.08662	1.1
223.12268	8.1
224.09335	1.3
224.12985	1.4
225.10216	6.1
225.13821	2.8
226.10912	3.5
227.11717	5.5
233.10779	0.9
235.08684	2.2
235.12265	3.2
236.09320	3.3
236.12985	0.7
237.10165	10.3
237.13719	3.7
238.10982	8.7
239.11760	16.0
240.12601	1.8
241.09782	0.8
241.13304	2.5
243.11211	1.0
245.12894	1.6
246.07530	1.6
248.09370	3.7
249.10193	17.4
250.08548	0.7
250.10959	12.1
251.08038	1.1
251.11768	23.8
252.08862	1.8
252.12593	6.0
253.09732	3.2
253.13300	9.5
254.10306	0.9
255.11143	4.5
256.12048	1.6
257.12823	2.7
258.13568	0.8
259.14276	1.6
262.10953	1.7
263.11758	41.8
264.08948	3.9
264.12466	9.2
265.09702	7.8
265.13342	20.8
265.16196	1.0
266.10425	3.8
266.13611	0.8
267.11288	12.5
267.14438	1.3
268.12048	1.7
269.12830	7.5
271.10742	2.3
271.14395	7.4
273.12238	5.3
275.11761	2.6
276.08759	1.2
277.09708	5.5
277.13156	1.3
278.10388	6.8
279.11243	29.1
280.11871	4.1
281.09695	1.0
281.12842	17.7
282.10010	1.8
282.13336	1.1
283.10764	5.2
283.14243	2.0
284.11490	3.2
285.12305	17.6
287.13809	3.7
291.11230	39.2
292.11932	9.5
293.09567	1.3
293.12790	31.2
294.09863	0.9
294.13272	1.0
295.10718	8.1
295.14319	2.1
296.11584	3.3
297.12311	45.7
298.12756	4.7
299.13870	25.6
300.14618	0.8
301.34070	0.8
304.08328	1.3
305.15146	1.3
307.10852	5.2
307.14163	1.1
308.11447	0.9
309.12320	27.5
310.12891	2.1
311.10217	3.6
311.13867	16.4
312.14771	0.8
313.11838	1.8
313.15518	1.9
315.13342	19.0
316.14063	1.4
319.10709	21.3
321.12274	5.2
323.10312	7.2
323.13507	1.3
324.10693	0.8
325.11804	33.3
326.12433	1.4
326.16208	0.8
327.13251	5.1
328.14169	1.3
330.15878	1.0
334.09018	0.8
337.11786	100.0
338.12115	4.1
339.13321	7.0
340.14114	0.9
341.11227	2.1
342.12033	0.8
343.12918	4.8
344.17490	1.4
351.13403	1.9
355.13034	4.6
356.13770	1.3
357.14429	14.7
358.15070	1.7
369.14496	8.4
370.15350	0.8
371.16156	3.4
373.13885	3.4
384.17029	1.2
386.18973	1.2
390.17883	0.9
398.15045	1.7
399.15823	1.7
401.13354	9.4
402.18094	1.4
404.19675	2.2
414.18298	1.2
416.15817	2.2
418.21405	1.9
420.19238	1.1
422.20761	1.3
428.19888	1.2
430.17487	2.8
432.18991	2.4
438.20212	0.9
444.19208	3.1
446.21332	5.3
448.17621	1.0
448.22430	2.9
449.19516	2.5
450.20227	4.3
458.17065	2.7
459.17624	1.4
461.19388	1.0
462.20181	6.1
464.21960	30.2
465.21970	1.2
472.18631	5.7
474.19699	1.7
476.18237	3.2
477.18756	2.7
482.18936	3.1
487.17102	5.2
490.19690	60.3
491.19998	2.5
492.21436	2.1
494.19229	2.3
499.17270	1.3
506.22607	1.1
508.20706	5.2
514.21625	1.7
519.19263	0.8
522.22388	22.0
523.22821	2.1
526.21545	1.5
532.20563	1.3
585.27094	0.9
587.24213	1.6
603.27722	3.1
611.25134	8.1
612.25049	2.0
624.24902	1.3
626.26978	28.9
627.26941	0.8
629.26013	12.9
634.24066	6.0
647.26984	32.1
648.27386	2.5
652.24951	64.4
653.25494	5.6
654.26343	1.4
670.24707	1.4
679.29572	5.8
684.27576	14.2
685.28485	1.6
791.30524	2.4
809.32550	8.2
841.34161	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	841.3492
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03930	1.4
65.64010	1.2
65.81328	1.1
67.05480	2.5
69.03438	1.9
69.46400	5.1
69.46825	8.3
70.06565	4.3
75.13787	1.2
79.05486	2.3
85.02894	2.0
91.05475	4.6
93.07018	4.8
94.06550	9.3
95.04942	1.8
95.07321	3.7
96.08123	14.3
97.06492	1.7
106.06534	5.2
108.04475	2.5
108.08112	20.3
109.02831	1.5
110.07152	1.4
110.09657	20.2
118.06510	2.0
120.04417	2.6
120.08084	19.0
122.06010	9.8
122.09604	2.5
124.07587	12.2
127.03955	1.4
134.06010	2.8
134.09665	1.7
136.07558	21.1
137.06020	2.2
138.05458	1.9
138.09126	36.0
140.06981	1.8
143.08377	1.3
144.04414	4.3
146.05988	21.9
146.09686	1.8
148.07562	13.0
148.61613	1.2
150.09129	11.0
150.30194	1.2
152.07045	12.9
160.03954	2.0
160.07576	2.9
161.06041	1.2
162.05464	2.7
164.07045	10.0
166.08620	73.4
172.03917	17.8
174.05444	1.7
176.07031	3.2
177.05438	1.3
182.08141	2.8
190.04987	17.3
197.10822	2.8
198.11470	3.4
199.12231	3.2
204.06526	28.0
208.09938	1.4
209.10756	2.4
210.09547	1.5
210.11504	5.8
211.08604	2.4
211.12282	5.5
212.13127	2.1
213.10257	1.8
218.08052	3.9
222.11499	1.7
223.08504	1.9
223.12131	6.7
225.10150	7.5
225.13794	2.9
226.10942	4.3
227.11757	8.4
235.08675	2.0
236.09373	3.6
237.10185	9.4
237.13765	2.4
238.11003	6.5
239.11754	16.8
240.12494	3.0
241.09587	2.1
241.13306	3.3
243.11189	1.7
246.07841	1.7
248.09499	2.7
249.10181	13.7
250.10931	10.2
251.11786	18.7
252.08727	1.8
252.12511	4.7
253.09703	3.8
253.13301	7.5
255.11272	4.8
256.12070	4.1
257.12839	3.8
262.10941	1.8
263.11774	36.9
264.08881	5.1
264.12460	8.0
265.09839	6.7
265.13318	17.7
266.10434	4.8
267.11227	16.2
268.11884	3.0
269.12836	8.7
271.10788	2.2
271.14368	6.7
273.12296	5.5
275.11609	2.4
276.08606	1.3
277.09714	4.7
278.10437	3.9
279.11264	32.1
280.11935	3.0
281.09882	2.2
281.12772	15.6
282.09973	2.8
283.10748	6.7
283.14313	2.9
284.11572	4.6
285.12274	21.1
287.13806	3.7
291.11261	32.6
292.12051	7.5
293.12778	29.4
294.13245	2.2
295.10828	7.8
296.11389	3.6
297.12308	55.8
298.12952	3.3
299.10474	2.5
299.13815	24.0
304.08456	2.1
305.14890	4.0
307.10849	3.9
309.12286	33.5
310.12872	1.6
311.10172	3.3
311.13828	13.4
313.11771	8.4
313.15036	1.9
315.13400	18.1
319.10712	21.4
321.12466	6.5
323.10321	9.4
323.15958	5.4
325.11810	32.5
326.16309	1.4
327.13425	8.0
337.11789	100.0
338.12125	3.1
339.13141	5.4
341.11252	6.8
342.12064	2.4
343.12903	5.5
355.12900	3.0
356.13770	2.8
357.14484	11.8
358.15134	2.5
359.12357	2.4
369.14410	8.1
371.16089	4.0
373.13928	20.4
374.14130	1.9
390.17889	1.9
398.14758	1.6
399.15399	1.9
401.13348	9.1
402.18124	2.6
404.19873	2.1
416.16034	3.1
422.20938	1.8
430.17554	3.3
432.19067	3.2
444.19312	2.4
446.21075	3.1
448.18323	3.9
449.19394	4.5
450.20160	3.8
458.17078	3.3
462.20255	6.2
464.21930	64.9
465.22015	1.8
472.18628	4.6
474.20096	2.5
476.17917	4.4
478.19608	1.6
482.18985	4.5
490.19659	82.7
491.19876	6.0
492.21268	2.9
494.19128	3.8
508.20752	19.2
514.21625	3.7
522.22321	83.7
523.22772	5.0
526.21539	1.6
587.24622	3.4
603.27917	5.0
611.24823	11.4
629.25885	22.7
643.27460	3.6
647.27039	85.7
648.27246	3.3
652.25317	2.5
661.28345	2.7
668.84363	1.5
679.29553	29.9
809.31573	1.6
846.56372	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	841.3492
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02922	1.6
65.03941	1.8
67.05497	1.0
69.03427	4.8
70.06583	6.1
71.04997	0.9
71.75515	1.7
72.08140	1.1
76.97459	0.9
79.05494	3.0
80.05022	1.1
81.03405	2.4
81.07054	1.0
82.06568	2.1
84.04472	1.3
84.08142	1.1
85.02890	8.1
86.09702	1.6
87.04440	1.1
91.05470	3.3
93.07027	3.4
94.06565	8.3
95.04998	0.9
95.07343	3.5
96.08121	10.7
96.54369	0.9
97.02882	3.7
106.06550	6.5
107.07334	3.5
108.04487	1.6
108.08116	17.0
109.02850	1.1
110.06002	1.4
110.07149	1.5
110.09662	17.1
112.08777	1.1
120.03665	1.0
120.04450	5.3
120.08086	16.4
120.08879	1.4
122.06018	16.9
122.06860	1.8
122.09662	4.7
124.07573	11.5
127.03897	1.6
132.08116	1.2
134.06009	3.3
134.09657	2.0
136.07565	22.3
137.05949	2.0
137.08443	1.1
138.05478	2.4
138.09122	30.8
144.04465	4.1
146.05998	20.5
146.09644	1.2
148.07561	16.0
150.05502	1.2
150.09131	17.0
152.07043	16.3
160.03998	1.3
160.07559	2.8
162.05510	2.8
162.09108	1.2
164.07051	11.5
166.08624	74.5
167.07036	1.5
167.09027	1.2
172.03920	25.6
172.07646	1.3
174.05466	2.6
176.07042	2.2
182.08127	5.8
182.09483	1.0
190.04979	20.3
192.10104	1.3
197.10750	2.0
198.11557	2.6
199.12245	1.3
204.04597	2.3
204.06544	46.5
205.06847	1.2
209.10786	1.8
210.11488	3.6
211.12314	6.3
212.13071	1.7
213.10161	2.0
218.08154	3.3
220.09471	0.9
221.10704	1.6
222.11523	1.2
223.12321	5.4
224.13025	1.3
225.10187	5.8
225.13802	2.8
226.10976	2.8
227.11726	4.8
235.08670	3.8
235.12193	2.9
235.42442	1.1
236.09351	2.1
237.10176	6.5
237.13829	3.2
238.11032	6.1
239.11765	12.7
240.12540	2.0
241.09680	1.6
241.13455	2.4
243.11356	1.7
248.09415	3.3
249.10197	11.3
250.10951	12.0
251.08014	1.2
251.11784	17.3
252.08842	1.2
252.12572	4.5
253.09666	2.2
253.13387	8.3
254.10410	1.3
255.11307	4.4
256.12073	2.4
257.12906	3.0
259.14474	2.0
262.07007	1.1
262.11118	1.8
263.11786	33.0
264.08936	3.7
264.12488	6.0
265.09760	6.6
265.13351	18.7
266.10455	4.0
266.14005	1.5
267.11276	10.3
267.14603	2.0
268.12030	1.8
269.12772	5.7
271.10843	1.9
271.14368	6.7
273.12259	6.0
275.11789	2.8
277.09741	3.6
278.10391	5.1
279.11252	29.2
280.12018	3.4
281.12805	17.1
282.09839	2.4
283.10736	4.9
283.14136	1.9
284.11493	2.8
285.12360	16.5
287.14005	3.6
291.11240	32.1
292.11969	8.4
293.09479	1.3
293.12802	29.0
294.10065	1.0
294.13132	1.3
295.10748	7.3
295.13974	2.3
296.11545	3.9
297.12289	42.5
298.13000	3.9
299.13855	23.3
300.14545	1.3
301.11829	1.5
303.13721	1.4
305.14859	2.0
307.10828	5.2
309.12289	27.8
310.12665	2.3
311.10236	4.3
311.13901	17.2
313.11880	2.3
313.15399	1.8
315.13364	18.5
316.14380	1.5
319.10693	21.8
321.12405	4.9
323.10260	5.7
323.16290	1.9
325.11810	31.5
326.12332	1.5
327.13239	5.6
330.15958	1.4
337.11798	100.0
338.12259	3.2
339.13248	6.2
341.11340	3.5
342.15964	1.3
343.12833	4.7
351.13422	2.0
355.12936	6.1
357.14441	15.2
362.18689	1.1
369.14270	8.6
370.15369	1.5
371.16138	3.8
372.16949	1.6
373.14050	5.3
374.14319	1.1
388.16403	1.2
390.18265	1.2
398.14578	2.2
399.15323	1.2
401.13364	10.4
402.18338	1.8
404.19901	2.0
416.15567	2.0
418.21503	2.0
420.19174	1.9
422.20850	1.3
430.17557	2.6
432.19330	2.5
440.15836	1.5
444.18878	2.9
446.15894	1.4
446.20776	3.1
448.17490	1.2
448.22903	1.4
449.19135	2.8
450.20032	6.2
458.17169	3.4
459.17657	2.0
461.18979	1.7
462.20294	7.3
463.20697	1.0
464.21982	30.2
472.18665	4.3
474.20166	2.8
476.17886	5.3
477.18091	1.5
482.18997	4.2
487.17117	5.8
490.19687	62.7
491.20016	2.5
492.20972	3.0
494.19003	2.7
506.22784	1.9
508.20807	5.1
514.21759	2.4
522.22314	31.0
523.22455	1.3
526.21655	1.3
587.24933	1.7
603.27704	2.0
608.25946	2.3
611.24670	9.4
612.25146	1.7
624.25623	1.4
626.26959	31.0
626.37244	1.5
627.27875	1.3
628.24109	1.5
629.25983	16.2
634.23633	5.9
643.27081	3.0
647.27124	36.2
648.27173	2.5
652.24957	71.0
653.25464	4.3
654.26306	1.9
670.26788	1.3
679.29608	9.0
684.27600	27.0
685.28296	1.5
791.30646	3.3
809.32147	11.3
841.33838	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	839.3969
Annotation	Unknow
Peak:m/z	Relative Intensity
68.05025	9.7
69.05808	12.1
70.06589	16.4
71.04921	0.6
72.08150	16.8
79.05512	0.5
80.05009	0.7
82.06555	1.5
84.08112	1.5
91.05463	2.6
96.04464	1.6
96.08080	1.2
97.07628	1.0
98.06008	0.8
99.79734	0.5
103.05444	1.8
105.07005	1.0
107.04938	3.8
107.89776	0.5
108.08119	0.7
113.07125	4.1
113.67635	0.5
114.05527	0.7
115.05431	1.0
118.06501	1.6
119.04912	2.0
120.08099	35.1
121.06490	2.3
122.06039	0.6
122.08807	0.6
122.09665	9.0
123.05526	0.7
124.03931	3.4
125.07084	1.3
129.06960	2.0
131.04898	2.0
131.07269	1.4
131.08533	1.8
132.08076	5.0
132.72217	0.5
133.06483	2.8
134.05037	1.0
134.06001	14.3
134.07022	0.7
135.06808	4.3
135.07791	0.8
136.07565	5.5
139.08653	0.6
141.07005	0.9
142.07729	1.0
143.08522	1.6
144.05635	0.8
145.06474	3.9
145.10063	1.3
146.05974	3.0
146.09631	0.8
147.04396	1.1
147.06815	0.7
147.08034	1.6
148.07545	4.3
149.06059	0.7
150.09149	1.1
151.05045	1.5
152.05794	7.3
157.06497	3.9
157.10132	2.2
158.07219	1.0
158.09663	0.7
159.06841	0.7
159.08049	6.3
159.11681	1.1
160.07553	5.5
160.11147	1.0
161.05933	1.2
161.09647	3.9
162.09169	4.5
163.07585	3.1
167.08528	1.1
169.06337	0.6
170.07257	4.8
171.08020	2.1
172.07529	1.0
172.11168	1.0
173.08379	0.6
173.09627	3.5
173.10901	0.5
174.09137	46.8
175.11136	4.1
176.10680	4.5
177.09085	2.2
183.08041	1.0
184.07550	2.3
184.11188	0.8
185.05980	2.0
185.09610	31.8
186.09109	10.9
186.12709	1.2
187.07483	1.1
187.10991	3.9
187.12502	1.3
188.10658	4.7
189.07494	1.2
189.09097	14.7
190.12231	5.1
198.09140	1.7
199.09883	1.2
200.10701	10.0
201.11546	4.0
202.08531	1.9
202.12262	71.2
203.06990	0.7
203.11813	21.3
204.13853	3.2
205.08607	2.2
212.10678	2.9
213.09059	1.9
214.08577	1.3
214.12270	2.2
215.11830	2.5
217.13326	2.5
219.10184	1.4
219.14941	5.2
220.09753	0.8
220.13342	2.9
222.11424	0.7
226.12340	0.9
228.13795	1.8
229.13388	0.9
229.65654	1.1
230.08206	1.0
230.11765	6.0
231.10074	18.7
232.09753	0.8
233.12889	1.5
240.13817	1.1
243.11279	9.5
246.11308	1.3
247.14377	1.5
248.12604	21.0
249.12207	0.6
252.13911	3.1
252.16110	0.7
253.14560	0.9
254.15408	1.3
256.16855	1.0
257.16360	3.5
258.18594	1.1
259.10779	2.0
263.14102	0.6
265.12686	1.2
265.15460	19.3
269.16534	2.3
270.17264	2.1
271.17960	1.1
272.16415	1.1
273.19577	1.3
274.17917	1.2
275.13870	2.6
280.13330	1.9
281.16382	1.1
285.12326	7.4
293.14948	5.9
297.15936	2.8
298.19455	0.7
299.17572	1.0
301.19067	0.7
302.18719	4.2
303.13287	1.2
313.15363	0.9
314.18610	1.3
315.17160	1.8
317.18744	1.2
318.14914	1.4
318.21826	1.0
319.20105	3.7
320.16391	0.7
321.14346	4.8
325.15451	2.6
329.18552	1.3
330.18307	0.7
337.19073	1.1
342.18063	1.8
346.21280	2.3
347.19754	5.5
349.57745	0.6
358.17676	2.2
359.16095	2.2
360.19131	10.4
361.19699	0.6
364.15402	0.7
364.22360	1.5
368.23373	0.8
370.17801	0.7
374.20645	1.8
375.19427	1.0
376.18820	0.9
383.19717	0.7
387.20605	5.2
388.18723	1.6
389.22293	2.1
392.21756	2.3
403.20065	0.9
404.23425	3.2
411.19208	1.7
415.19995	0.8
420.21320	2.1
421.21124	2.6
432.22827	16.2
433.21609	0.7
434.24496	3.1
449.20633	3.0
450.23898	3.1
460.22287	11.6
461.20410	1.0
462.23575	0.8
477.24817	3.1
478.23398	12.2
487.25119	1.0
488.21857	1.5
495.26227	4.6
505.24725	2.5
506.22906	5.3
522.22302	1.7
523.25507	13.9
531.29681	7.0
532.27991	0.6
533.24274	1.3
551.24994	25.2
559.28949	6.6
561.30615	0.7
563.14569	0.6
572.95862	0.6
576.31787	1.7
577.30518	3.1
579.24365	0.8
587.28613	72.5
588.29260	1.5
604.31219	7.5
605.29718	6.7
621.28979	1.2
622.32355	38.4
623.32123	0.9
632.30798	10.3
650.31781	100.0
651.31909	2.8
712.33618	1.3
793.39178	12.3
811.40375	1.4
839.39984	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	839.3964
Annotation	Unknow
Peak:m/z	Relative Intensity
58.68074	0.3
65.03932	0.5
67.05499	3.8
68.05024	5.8
68.55956	0.3
69.03396	0.3
69.05807	7.5
69.07054	0.6
70.06580	6.9
71.00110	0.7
71.35527	0.3
72.08145	9.6
79.05510	0.3
80.05022	1.1
81.80238	0.2
82.06561	1.9
84.08134	43.5
85.06527	0.3
85.08476	0.4
86.09664	0.3
91.05470	2.2
93.07035	0.8
94.06563	1.1
95.04972	0.6
95.07341	0.8
96.04484	0.9
96.08136	2.1
97.07632	0.5
97.39140	0.3
98.06046	0.6
99.09209	0.3
100.07594	0.3
100.96165	0.3
103.05461	1.6
105.07034	0.4
106.06551	0.6
107.04956	1.2
108.08099	0.6
112.07597	1.6
113.07136	0.5
114.05548	0.4
115.05453	0.7
117.05762	0.3
117.07010	0.5
118.06513	1.6
119.04940	1.9
120.08091	22.4
120.29607	0.3
121.06487	1.4
122.09653	11.6
123.04440	0.9
124.03952	2.2
124.11227	0.5
129.07025	0.6
129.10231	0.4
130.06537	0.7
130.08655	0.6
131.04890	0.5
131.07294	1.1
132.08075	3.3
133.06497	0.8
134.06000	11.4
134.09653	2.3
135.06793	1.6
135.10413	1.3
136.07553	9.5
136.11201	10.6
137.11951	0.4
138.12761	4.6
141.07013	0.4
143.08519	0.4
145.06454	1.6
146.05960	1.6
146.09651	0.8
147.04395	1.2
147.08058	0.5
148.07576	0.8
151.04977	1.5
151.08656	0.6
151.12317	0.4
152.05792	5.6
152.13277	0.3
157.06468	0.9
157.10057	0.4
158.07283	0.3
158.09616	0.5
159.06883	0.4
159.08061	2.1
160.07553	1.7
160.11211	0.6
161.09596	1.1
162.09117	3.2
163.12280	0.3
165.05460	3.3
166.12358	0.3
170.09602	0.4
171.08046	0.7
172.07428	0.3
173.09659	0.7
174.09123	34.3
175.09723	0.5
175.11166	0.6
175.17485	0.3
178.08633	0.6
179.11797	2.0
182.08148	1.6
183.14951	0.7
184.07550	1.5
185.06023	0.9
185.09615	2.1
186.09119	6.9
187.12384	1.5
188.07062	0.6
188.10695	2.5
189.09067	4.6
190.08649	0.5
190.12277	0.9
198.09207	0.7
200.10748	1.4
200.25462	0.3
202.08649	1.1
202.12280	4.9
203.06825	0.4
203.11786	14.8
204.13873	0.4
207.11227	0.4
213.10246	0.8
214.08655	0.7
215.11658	1.4
217.13425	0.8
219.14885	5.0
219.89299	0.3
220.09747	0.5
220.13261	0.4
223.11180	0.8
226.08974	0.3
228.13820	1.0
229.13374	0.5
231.09981	3.0
232.10062	0.3
233.12959	0.8
235.14499	0.5
240.13857	1.4
243.11256	7.9
246.11336	0.3
247.14456	0.8
248.12694	7.4
249.12575	0.4
257.16464	2.9
259.10880	1.3
265.15445	17.0
269.16461	1.3
271.18076	1.1
272.16388	1.5
273.15991	0.3
273.19580	0.8
275.13876	1.8
285.12329	6.5
285.15576	0.4
293.14880	2.3
297.16019	0.6
299.17838	0.3
302.18649	2.2
303.13446	0.4
313.15463	0.5
314.18591	3.0
315.17096	1.0
317.18512	4.8
318.21924	0.6
319.20190	2.5
321.14389	2.9
332.28610	0.3
337.18954	0.4
340.16760	0.5
342.18124	1.1
343.16519	0.3
346.21042	0.3
347.19653	0.6
358.17691	0.8
359.15866	1.5
360.19186	7.1
364.15802	0.3
364.22357	1.0
370.17593	0.5
374.20828	0.8
375.19318	0.4
381.18195	0.4
387.20547	0.3
388.18674	0.8
389.22238	0.5
391.79129	0.3
392.21939	1.4
404.23260	0.4
411.19095	0.6
413.25867	0.4
420.21185	1.7
421.21249	1.8
432.22797	2.0
433.21466	0.6
434.24277	2.4
441.25137	0.4
449.19986	1.3
449.25955	1.8
450.23895	3.4
460.22372	0.9
461.20728	0.9
462.23550	0.5
469.24350	0.3
477.25195	1.3
478.23334	7.8
488.21973	0.5
495.26022	15.5
496.26288	0.5
505.24432	1.2
505.31485	0.3
506.22928	2.3
522.22510	1.2
523.25513	12.4
524.25812	0.5
535.26239	0.4
551.24963	13.3
559.28937	0.8
561.30573	0.3
577.30524	2.0
578.33252	0.5
579.24500	1.2
587.28601	3.8
594.32349	1.3
604.31268	2.6
605.29565	3.6
621.29254	1.4
622.32275	33.0
623.33148	0.9
632.30530	3.0
650.31757	100.0
651.32104	2.8
712.32922	0.6
811.40076	0.9
839.40344	0.6
843.30273	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	839.3958
Annotation	Unknow
Peak:m/z	Relative Intensity
64.79456	0.7
67.05487	3.0
68.05032	5.3
69.05803	8.8
70.06261	0.7
70.06577	4.3
70.17649	2.2
70.18060	1.4
72.08148	10.9
74.63983	0.7
80.04984	1.2
82.06569	2.7
84.08132	40.3
91.05468	2.8
96.08121	2.0
98.21343	0.9
103.05475	0.9
108.08115	0.7
112.07641	1.5
119.04919	2.2
120.08092	17.1
121.06480	1.5
122.09665	9.0
124.03949	2.6
131.07359	0.7
131.08528	0.9
132.08092	2.7
134.05994	6.7
134.09654	2.8
135.06787	1.4
135.10406	1.3
136.07568	9.5
136.11205	7.5
138.12766	4.8
141.06979	0.7
145.06493	1.4
146.05980	1.4
151.04994	1.0
152.05786	4.7
157.06483	0.9
159.08060	2.4
160.07552	1.1
160.11240	0.9
162.09137	2.9
165.05495	2.2
174.09126	29.2
179.11807	1.4
182.08119	1.4
183.14905	1.1
184.07591	1.9
184.26030	0.7
185.06053	0.8
185.09627	2.4
186.09125	5.4
187.09875	0.9
187.12411	0.8
188.10658	1.8
189.09079	3.4
200.10657	1.7
202.08667	0.7
202.12277	4.6
203.11775	14.2
206.08020	0.8
215.11880	0.8
219.14909	4.8
223.11115	1.5
228.13815	1.7
231.10283	2.1
233.13084	0.9
240.13846	1.8
243.11240	6.8
247.14412	1.4
248.12674	7.0
249.12195	1.0
257.16492	1.6
259.10846	1.1
265.15454	16.2
269.16522	2.3
271.18103	0.9
272.16412	1.5
275.13998	1.7
285.12326	4.5
293.14960	1.4
302.18692	2.0
314.18610	2.3
317.18665	4.1
319.20224	1.9
321.14575	2.3
358.17657	1.3
360.19073	6.2
364.22113	1.1
381.18173	1.0
388.18738	0.8
392.21790	0.7
413.25833	1.1
421.21259	2.1
432.22696	1.6
434.24100	1.5
449.20651	2.0
449.25812	1.7
450.23898	2.2
477.24945	1.8
478.23367	11.6
495.25934	12.5
505.24448	0.9
506.22870	2.2
522.22479	1.1
523.25537	11.6
551.24933	14.2
552.25360	1.0
577.30206	2.3
587.28430	4.2
604.31372	3.6
605.29443	3.4
621.29803	1.4
622.32336	32.5
623.32782	2.1
632.30237	3.9
650.31775	100.0
651.32294	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	839.3837
Annotation	Unknow
Peak:m/z	Relative Intensity
65.81248	1.0
67.05502	4.8
69.03413	1.4
69.07061	1.3
69.61546	1.8
69.61966	7.0
70.06594	1.0
71.04984	1.1
79.05465	3.4
81.03408	3.1
81.07041	4.2
85.02903	2.5
91.05460	1.8
93.07005	3.7
95.04948	1.4
95.08575	2.8
97.02883	2.1
105.03381	3.7
105.06985	2.7
107.08557	2.3
109.02861	1.8
109.10136	1.1
112.07550	1.3
113.05959	1.3
118.48898	1.0
119.08565	1.6
121.10101	1.0
129.03358	1.7
135.11687	1.3
145.10048	1.3
147.04382	1.3
165.01808	5.2
167.03392	4.9
183.02844	3.5
213.05414	1.4
223.07530	2.2
251.07040	13.2
254.05661	3.3
255.06534	7.1
261.04092	1.1
265.08542	9.3
267.06491	100.0
268.07208	10.6
275.20020	3.0
278.05762	1.4
279.06497	18.5
279.09680	1.5
281.07999	2.9
289.08597	3.3
291.06470	2.1
292.07281	1.3
293.04758	1.5
293.08020	29.3
297.07541	99.6
298.07922	1.5
305.07986	2.0
307.06052	1.6
307.09564	13.3
314.19757	1.0
317.08127	3.4
321.07532	42.0
333.07523	9.8
335.08939	2.5
345.07639	9.6
349.23663	1.9
351.08627	27.5
363.08594	23.6
381.09607	19.9
391.82022	1.0
399.10721	28.9
417.11734	8.3
437.25015	1.5
546.42358	1.0
739.09589	1.1
764.44501	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	839.3341
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02902	1.1
65.03928	0.6
67.05485	1.5
69.03420	5.1
69.87067	2.4
69.87491	1.1
70.06592	2.8
71.04971	0.8
72.08131	0.6
73.02915	0.9
76.30449	0.4
79.05478	1.8
79.39838	0.4
80.04993	0.9
81.03406	2.4
81.07041	1.1
82.06569	0.5
84.04476	0.5
85.02898	7.8
86.09676	0.8
87.04449	1.0
87.95653	0.5
91.05467	1.8
92.05018	0.6
93.05769	1.1
93.07056	3.3
94.06555	1.7
95.04948	1.0
95.07344	1.0
95.08593	0.7
96.08121	1.6
96.69005	0.5
97.02890	3.9
99.04497	0.5
103.05456	0.6
105.06976	0.8
107.07330	1.2
108.04428	0.7
108.08105	10.0
109.02834	1.5
109.10104	0.5
110.06033	0.8
110.09634	3.9
116.07049	0.6
118.06487	0.7
120.04433	0.9
120.08083	5.1
121.08923	0.6
122.05999	1.3
122.09652	4.2
127.03886	1.1
131.08522	0.5
134.06023	0.8
135.06781	0.7
136.07558	59.1
137.05966	1.7
137.07880	0.7
138.09114	3.6
145.04916	0.6
148.07549	6.2
150.09111	1.2
152.07065	1.2
164.07045	21.5
166.08629	11.7
167.07016	2.6
170.05981	0.7
182.08252	0.9
183.09196	1.0
184.07576	1.2
197.07069	11.5
197.10715	1.6
198.07710	0.7
199.08662	1.9
207.09152	0.6
209.10669	0.9
210.07730	0.6
210.11395	1.3
211.08647	8.9
212.09283	0.9
213.06422	0.6
213.10242	1.6
213.13876	0.5
214.08490	0.6
215.14430	0.5
222.03999	0.9
223.08588	0.8
223.12231	0.6
224.09406	3.3
225.06555	17.2
225.10037	5.4
225.13750	2.6
226.07025	1.0
226.10858	1.2
227.08112	1.8
227.11749	2.0
227.15454	1.4
229.09723	0.8
235.08711	0.5
237.10181	1.8
238.10733	1.0
239.08124	21.8
239.11861	1.8
240.08736	1.4
240.12553	2.0
241.09735	0.9
241.13248	2.5
242.14130	2.6
243.07629	3.2
243.11452	0.8
245.12918	0.7
249.10313	0.9
251.08096	0.7
251.11812	1.9
252.08914	1.4
253.05962	2.8
253.09724	11.0
253.13344	3.9
254.11790	1.3
255.07663	3.7
255.11359	2.4
255.14961	2.4
257.05655	1.3
257.09225	6.4
263.08112	1.3
265.09717	1.1
267.07611	21.2
269.09293	1.2
269.12827	1.8
271.07202	1.7
271.10773	4.6
271.14352	1.8
273.08768	0.9
273.12524	0.8
273.15952	11.7
279.11328	0.7
280.11838	0.5
281.05597	6.1
281.09180	18.1
281.12781	8.8
283.10748	3.3
283.13522	0.5
285.08618	3.7
285.11703	1.0
295.07114	5.8
295.10330	1.1
297.08716	1.2
297.12228	1.1
298.12732	1.0
299.06580	1.7
299.10223	7.8
299.13867	9.7
301.11887	1.2
309.08673	35.3
310.08896	0.7
311.10150	4.9
313.08246	0.9
313.11655	0.8
316.14639	0.7
323.10056	1.2
326.12247	1.5
327.09708	51.4
328.10135	1.1
329.11295	4.6
329.14755	0.9
331.09189	1.2
337.08133	11.5
341.11328	0.7
343.13086	0.9
344.13843	0.9
345.10696	6.7
346.11569	0.5
355.09207	56.9
356.09485	1.6
361.13855	2.9
369.10776	9.1
373.10275	25.4
374.10483	0.7
386.14371	0.6
387.11807	100.0
388.12137	2.7
388.16510	0.8
402.18124	0.8
416.16061	1.6
420.19171	0.9
428.16150	0.7
432.19641	0.6
434.17148	1.3
435.21472	3.4
444.15634	0.8
446.17133	2.9
448.18524	1.9
456.15378	0.7
458.16940	0.8
461.19351	1.0
462.16287	0.7
464.18201	4.2
474.16293	0.9
476.17892	2.7
480.17477	0.7
482.18915	0.6
496.20792	5.2
508.20517	1.2
512.20343	1.1
581.24188	0.9
583.25806	2.9
599.24963	2.1
609.23669	3.0
627.24384	31.0
628.24713	1.1
641.25629	1.9
645.25739	5.5
659.27087	15.7
660.26825	0.9
677.28064	6.8
751.05402	0.5
789.29663	8.6
807.30090	1.9
821.32697	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	839.3328
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03921	0.6
67.05489	0.6
69.03430	2.5
69.42602	4.2
69.43011	1.4
70.06581	0.9
70.66649	0.5
72.93835	0.5
77.97424	0.5
79.05481	1.2
79.87083	0.4
80.05022	1.0
81.03402	1.3
82.06577	0.8
84.04492	0.6
85.02910	3.1
85.07645	0.6
91.05480	0.9
93.05795	0.6
93.07040	2.1
94.06561	6.0
95.04977	1.0
95.07331	2.8
95.08579	0.6
96.08110	5.5
97.02879	1.8
106.06571	1.7
107.07352	0.9
108.04482	2.1
108.08105	11.0
109.02872	0.9
110.06036	0.8
110.09665	8.9
113.86168	0.5
116.04980	2.0
120.04459	2.5
120.08090	7.8
122.06016	7.3
122.09676	1.3
124.07582	6.9
127.03967	0.9
132.04459	0.8
132.08073	0.8
134.06010	2.3
136.07562	10.9
138.09128	10.7
144.04427	4.0
145.08788	0.6
146.05972	6.2
148.07564	5.8
150.09157	2.3
152.07053	3.0
158.06017	0.8
160.03925	2.7
160.07605	0.8
162.05489	4.1
164.07068	1.9
166.04971	0.5
166.08615	17.0
167.07112	0.9
172.03915	21.1
172.07469	0.8
174.05490	2.7
176.07080	4.6
178.04988	0.6
182.09648	0.7
183.09097	0.8
185.10797	0.8
186.05412	0.8
190.04965	21.9
192.06622	0.6
197.07085	0.8
197.10838	0.8
198.09402	0.8
199.08687	1.8
199.12309	0.6
200.09334	0.5
204.06544	41.8
205.06926	0.8
209.10699	1.2
210.11549	0.6
211.08658	1.7
212.09467	1.2
213.10179	4.3
214.11067	0.9
215.08192	0.5
215.11774	2.3
223.08675	0.6
223.12259	1.0
224.09373	0.9
225.10168	2.4
226.08757	0.9
226.10878	0.9
227.11742	3.2
229.09821	0.8
229.13261	0.7
235.08687	1.3
236.09436	2.1
237.10149	3.6
238.11043	2.2
239.11842	1.5
241.09770	3.8
243.07367	0.7
243.11275	11.7
245.12857	0.8
246.06291	0.5
249.10162	2.5
250.11058	0.6
251.08180	1.1
251.11769	2.5
252.08878	0.8
252.12576	0.8
253.09724	2.0
253.13408	0.9
254.10571	0.7
255.11299	2.7
256.11981	0.9
257.09299	0.5
257.12827	1.5
259.10916	1.4
263.08145	1.0
264.08969	2.6
265.09680	3.5
266.10638	1.2
267.07797	0.9
267.11359	2.8
269.09265	3.3
269.12851	1.4
270.09946	0.9
271.10620	2.7
273.12317	5.0
274.13184	0.7
277.09732	1.9
278.10419	1.0
279.11279	4.8
281.09402	1.0
281.12830	2.4
283.10770	5.1
284.11612	1.4
285.12302	19.4
287.10239	6.4
293.09177	1.6
294.10022	0.8
295.10861	1.5
296.11496	0.7
297.12354	9.3
298.13358	0.7
299.10788	0.9
299.13806	4.0
300.11893	0.5
301.11679	2.9
302.12793	1.7
303.13361	23.9
304.14249	0.7
305.09152	1.3
307.10779	2.6
309.12363	1.3
311.10373	1.7
313.11954	2.6
314.16409	0.7
315.10034	0.7
315.13638	1.0
316.10947	1.2
316.14444	1.2
317.15222	0.9
318.16165	1.9
323.10229	6.4
324.10999	0.9
325.11795	21.3
326.12671	1.6
327.13492	3.1
328.14551	0.9
329.11560	1.8
329.15158	1.0
330.12415	1.5
330.16138	1.6
331.13107	1.1
332.13959	1.0
337.11819	0.9
339.09747	1.0
340.14490	1.2
341.11810	1.0
342.12454	1.3
342.16193	0.9
343.12891	5.5
343.16449	0.6
344.13843	2.9
345.15021	0.8
346.11880	0.9
346.15500	3.3
347.16339	1.1
354.12555	0.9
355.13135	1.3
356.13980	0.6
357.14465	20.9
358.11768	1.3
358.15515	4.6
359.12711	0.6
360.13278	0.7
360.17215	0.9
367.13257	0.8
368.13821	1.6
369.14731	0.7
370.11917	1.7
370.15933	1.1
371.12778	2.2
372.13324	4.0
373.13773	2.7
374.10907	0.6
374.14679	2.6
376.16507	1.0
378.18253	0.7
381.10632	1.2
382.15778	1.1
383.12634	1.3
384.17117	1.3
385.14355	2.1
386.14975	8.5
387.15842	4.4
388.16827	0.9
389.13605	2.1
390.18387	1.1
392.15948	1.3
394.17758	1.6
396.13449	2.0
400.12405	0.8
400.16757	1.8
401.13727	1.6
402.14545	2.5
402.18884	1.3
403.15292	1.5
404.16003	4.9
406.17514	4.1
410.15112	1.5
412.16608	1.3
414.14435	12.0
415.15225	20.4
416.15781	2.8
417.17078	0.6
418.17584	2.4
420.15378	5.6
426.14590	1.1
428.15955	3.1
429.16422	0.7
430.17743	3.8
432.15500	12.4
433.16425	1.2
434.16940	0.7
438.14557	2.7
444.15369	5.1
445.15805	0.7
446.17209	4.3
456.15448	8.7
462.16504	9.5
463.17123	0.7
464.17917	0.9
469.16180	0.9
474.16528	23.6
475.16687	1.0
476.18192	1.5
487.17123	9.0
488.17804	1.3
492.17535	0.8
494.19244	1.5
505.18121	0.7
506.19202	10.0
519.19501	0.9
539.23102	0.9
567.22363	0.7
581.23749	1.7
583.25452	1.3
585.23730	3.5
591.22223	0.9
599.24896	2.1
609.23242	8.3
609.32196	0.7
615.23254	0.7
627.24420	100.0
628.24677	5.2
641.25946	2.6
645.25311	1.2
659.27081	16.3
753.27484	0.8
761.30164	0.8
771.28552	2.2
781.03442	0.6
789.29596	15.6
790.29419	1.4
807.30725	0.7
821.32477	1.4
839.32788	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	839.334
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02906	0.7
67.05499	1.2
69.03428	1.6
69.07099	0.4
70.06584	2.9
71.04988	0.5
71.73474	0.5
71.73820	0.5
72.08134	0.6
76.84090	0.4
78.04679	0.5
79.05488	1.3
80.05016	1.3
81.03424	1.6
81.05804	0.6
81.07046	0.9
82.06582	1.3
85.02881	2.6
86.09714	0.8
90.79850	0.4
91.05475	1.8
92.05024	0.6
93.05802	0.9
93.07044	2.2
94.06561	4.8
95.04964	1.3
95.07363	1.7
95.08614	0.7
96.04472	0.6
96.08134	5.8
97.02895	1.7
98.72208	0.5
103.05443	0.6
106.06535	1.3
107.07294	0.6
108.04487	1.9
108.08110	9.7
108.08821	0.8
109.02909	0.6
110.07163	0.6
110.09665	8.0
116.04972	2.1
116.07130	0.5
118.06551	0.7
120.04440	2.6
120.08096	7.9
121.06498	0.5
122.06017	5.0
124.07586	7.4
131.04938	0.5
133.06413	0.5
133.10168	0.5
134.06041	2.5
135.07947	0.5
136.07561	9.6
137.06001	1.1
138.05525	1.0
138.09131	10.1
144.04439	3.8
144.08130	0.6
146.05986	4.3
148.07564	3.9
150.05600	0.5
152.07040	2.2
160.03900	3.1
160.07599	0.7
161.05971	0.7
162.05498	3.7
164.07138	1.9
164.66068	0.4
166.08627	11.2
167.07094	1.7
172.03931	18.8
174.05493	2.3
176.07039	4.2
178.04985	1.0
179.47304	0.6
181.04930	0.7
182.08322	0.5
185.10785	1.0
186.09087	0.5
188.07147	0.7
190.04985	17.3
190.06691	0.9
197.10712	1.0
198.07657	0.6
198.09216	1.4
198.11537	0.5
199.08690	1.4
199.12314	0.8
201.10298	0.7
204.06554	31.0
209.10602	0.7
210.09175	0.7
211.08694	1.1
211.12328	0.8
212.09502	1.4
213.10251	3.1
214.09026	0.5
214.11053	1.2
215.11812	3.2
223.08698	1.1
223.12350	0.6
224.09343	1.0
225.10197	3.3
226.08719	1.0
226.11034	0.8
227.08244	0.8
227.11710	2.2
229.09714	0.6
234.09070	0.9
236.09525	1.1
237.05374	2.6
237.10306	2.4
238.11105	1.8
239.11827	1.7
240.12558	0.6
241.09698	4.0
241.13332	0.9
242.10609	0.6
243.11276	14.2
245.12851	1.0
249.10294	2.0
251.08119	1.0
251.11859	1.7
252.08960	0.5
253.09648	2.4
253.13385	0.8
254.10344	0.7
255.08997	0.6
255.11198	2.7
257.09320	0.7
257.12805	2.1
259.11050	1.1
261.10428	0.5
263.08139	0.6
263.11850	0.7
264.08929	3.1
265.09705	1.8
266.10327	0.6
267.08438	0.5
267.11240	2.4
269.09286	2.5
269.12924	1.4
270.09964	0.7
271.10709	2.7
273.12320	4.2
274.13126	0.8
277.09763	2.0
277.64203	0.5
279.11240	3.9
280.11954	0.7
281.09213	1.7
281.12622	0.9
283.10739	4.6
284.11569	1.3
285.12329	25.9
286.12790	0.9
287.10199	6.2
290.13010	0.6
294.09955	0.7
295.10770	1.1
296.11469	0.6
297.12375	7.6
299.10391	2.7
299.13980	3.5
300.11243	1.4
301.11853	3.3
302.12650	1.4
303.13376	26.3
304.14322	1.2
307.10834	1.3
309.12369	1.2
311.10300	1.2
313.11746	2.1
315.13669	1.0
316.10873	0.7
316.14505	1.0
317.15338	1.1
318.15997	0.9
323.10291	5.9
325.11816	20.8
326.12512	1.6
327.13556	2.9
328.14487	1.0
329.11639	1.4
330.12476	1.9
332.14169	0.7
337.11859	0.8
339.13632	0.6
341.12070	0.6
342.12619	1.4
343.12936	6.4
344.14011	2.4
345.14767	1.1
346.15530	2.1
347.16245	0.8
354.12445	1.2
355.13113	0.6
356.13953	1.4
357.14453	13.9
358.11862	1.1
358.15555	4.3
359.16281	1.0
360.17242	0.8
362.15161	0.6
368.14011	1.6
370.11865	1.5
370.15851	1.1
371.12741	2.1
372.13217	3.1
373.13898	3.8
373.18179	0.6
374.14957	2.4
376.16745	1.0
382.15872	0.8
383.12360	0.8
384.13245	1.0
384.17581	0.7
385.14420	1.8
386.14996	7.6
387.15762	3.8
388.16745	1.0
390.18689	0.8
392.16150	0.9
394.17679	1.2
396.13394	1.2
397.14011	0.6
400.16656	1.0
401.13358	2.5
402.13980	3.8
403.15219	0.7
404.15958	3.4
406.17422	2.8
410.14923	0.8
412.16714	1.3
413.14615	1.1
414.14474	9.2
415.15298	16.2
416.16144	2.4
418.17572	1.9
420.15515	4.8
426.14584	0.7
428.16190	2.8
430.17911	2.6
432.15521	12.8
433.15894	0.7
438.15344	2.7
444.15067	2.6
446.17108	4.1
447.17587	0.8
456.15515	6.7
457.16153	0.6
458.16843	0.9
462.16550	9.1
464.18469	0.8
465.18588	2.9
474.16559	19.3
475.16940	0.8
476.18213	1.3
487.16974	0.8
488.18155	0.6
494.18872	2.1
497.21909	0.5
506.19089	7.1
511.23236	0.5
539.23212	0.8
581.23688	1.3
583.25598	2.0
585.23511	3.6
591.22223	1.0
599.24988	1.8
609.23358	9.4
611.24921	0.6
627.24463	100.0
628.24719	3.0
636.21637	1.4
641.26056	3.1
645.25238	1.0
659.27130	14.7
668.24530	0.7
677.27997	0.7
771.28503	0.9
789.29700	9.1
803.31061	0.7
821.31818	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	839.3331
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05481	1.0
69.03412	4.9
70.06574	4.1
70.76472	4.1
79.05457	2.1
81.03411	1.5
84.08135	1.5
85.02905	5.7
86.09672	1.5
89.42098	1.1
91.05466	2.6
93.05737	1.1
93.07026	3.4
94.06540	7.8
95.07320	3.0
96.08130	7.1
97.02860	2.9
97.06544	1.2
100.03360	1.1
103.05473	1.2
105.07021	1.1
108.04467	2.3
108.08101	13.2
110.05986	1.5
110.09663	14.5
116.04867	1.1
120.04440	2.6
120.08092	10.5
121.06461	1.0
122.06022	8.3
122.09657	2.4
124.07576	9.9
134.05997	2.2
136.07564	18.0
138.09113	19.5
144.04430	4.1
146.06030	5.9
148.07542	7.5
150.05530	1.4
150.09122	3.6
152.07024	3.3
160.03937	2.1
162.05521	3.2
164.07089	2.7
166.08598	25.1
166.09865	1.9
167.06989	1.5
172.03923	22.2
174.05545	2.0
176.07057	4.7
179.04875	1.2
183.08977	1.3
190.04980	20.3
199.08517	1.1
204.06540	37.9
209.10832	1.7
211.08601	2.6
211.42625	1.0
213.10236	4.5
214.11024	1.5
215.11716	2.3
223.08644	1.2
223.12309	1.2
225.10188	4.7
226.10910	1.4
227.08099	1.7
227.11768	3.4
235.08603	2.3
236.09482	2.4
237.10228	6.8
238.10947	4.7
239.08127	1.3
239.11713	5.1
241.09698	4.3
241.13370	1.4
243.11229	10.7
248.09448	1.8
249.10168	9.1
250.10968	7.8
251.11758	10.7
252.12617	1.8
253.09666	3.9
253.13309	2.8
255.11429	3.1
257.12778	2.4
259.10709	1.6
261.10217	3.0
262.11087	2.6
263.08636	1.8
263.11752	16.8
264.08936	1.8
264.12424	2.3
265.09711	4.8
265.13266	2.4
266.10403	1.5
267.11237	7.0
269.09354	2.1
269.12772	2.0
271.10822	3.6
273.12366	5.1
277.09711	4.0
278.10468	3.9
279.11282	20.7
281.09143	1.9
281.12762	2.2
282.09988	2.0
283.10699	5.4
284.11465	2.0
285.09232	2.0
285.12326	19.3
287.10196	7.4
289.09708	1.7
291.11108	8.0
292.12009	2.5
293.09146	3.2
293.12857	3.7
295.10818	6.2
296.11377	3.0
297.12286	12.2
299.10397	1.3
299.13934	2.8
301.11847	1.7
302.12659	2.2
303.13428	20.1
305.09192	1.5
307.10751	8.4
308.11414	1.6
309.12234	11.9
311.10391	2.6
311.13876	1.7
313.11722	8.5
315.13602	2.2
316.14478	1.5
319.10901	3.9
321.08606	1.9
321.12170	1.9
323.10181	6.8
323.13834	2.7
325.11789	24.4
326.12503	1.9
327.13498	3.5
328.14474	1.4
329.11499	1.2
329.15021	1.8
330.12256	2.6
330.16034	1.2
333.11542	1.2
335.10251	4.5
337.11774	17.1
339.09680	2.6
339.13370	1.2
340.14291	1.8
341.11331	5.1
341.14929	1.5
342.12228	2.1
343.12878	4.8
344.13901	2.0
345.14459	2.5
346.15598	1.4
348.13489	1.3
350.99365	1.5
353.11157	1.4
355.12949	8.9
356.13715	2.6
357.14426	29.1
358.11578	1.4
358.15491	6.2
359.12692	1.3
360.32153	1.3
367.12741	12.3
368.13821	2.3
369.14514	9.4
370.15625	2.1
371.12546	3.3
372.13284	3.2
373.13916	13.5
374.14877	2.9
382.15625	1.8
384.17337	1.4
386.14984	7.9
387.15375	3.5
388.16684	1.8
389.13382	4.2
396.13449	2.0
400.16742	1.7
401.13370	1.6
402.14441	3.7
403.19135	2.1
404.16016	5.0
406.17645	2.9
412.16653	1.6
414.14484	9.7
415.15250	21.1
416.15903	3.0
418.17624	3.0
420.15384	4.3
428.16116	2.7
430.17441	4.6
432.15421	14.1
438.15237	2.2
444.14703	2.4
446.17023	3.7
448.18414	1.3
456.15640	8.9
460.18600	1.8
462.16211	7.8
474.16553	24.0
476.18024	2.3
487.16830	9.2
488.17966	3.2
490.19620	4.4
492.17291	2.5
504.20880	2.2
506.19135	11.4
520.20758	35.9
521.21112	3.9
522.22351	41.8
523.22760	2.0
538.21698	1.8
581.23187	1.5
583.25116	1.6
585.23370	2.8
599.24567	2.4
609.23175	7.2
627.24414	100.0
628.24347	4.2
641.25659	4.8
645.25403	5.5
650.22339	1.5
652.24670	2.3
659.26831	18.8
660.26648	1.2
677.27942	6.6
682.25665	7.2
684.27478	8.5
700.27106	2.4
789.29437	14.1
807.30969	2.1
821.32001	1.6
839.32190	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	839.334
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02906	0.7
67.05499	1.2
69.03428	1.6
69.07099	0.4
70.06584	2.9
71.04988	0.5
71.73474	0.5
71.73820	0.5
72.08134	0.6
76.84090	0.4
78.04679	0.5
79.05488	1.3
80.05016	1.3
81.03424	1.6
81.05804	0.6
81.07046	0.9
82.06582	1.3
85.02881	2.6
86.09714	0.8
90.79850	0.4
91.05475	1.8
92.05024	0.6
93.05802	0.9
93.07044	2.2
94.06561	4.8
95.04964	1.3
95.07363	1.7
95.08614	0.7
96.04472	0.6
96.08134	5.8
97.02895	1.7
98.72208	0.5
103.05443	0.6
106.06535	1.3
107.07294	0.6
108.04487	1.9
108.08110	9.7
108.08821	0.8
109.02909	0.6
110.07163	0.6
110.09665	8.0
116.04972	2.1
116.07130	0.5
118.06551	0.7
120.04440	2.6
120.08096	7.9
121.06498	0.5
122.06017	5.0
124.07586	7.4
131.04938	0.5
133.06413	0.5
133.10168	0.5
134.06041	2.5
135.07947	0.5
136.07561	9.6
137.06001	1.1
138.05525	1.0
138.09131	10.1
144.04439	3.8
144.08130	0.6
146.05986	4.3
148.07564	3.9
150.05600	0.5
152.07040	2.2
160.03900	3.1
160.07599	0.7
161.05971	0.7
162.05498	3.7
164.07138	1.9
164.66068	0.4
166.08627	11.2
167.07094	1.7
172.03931	18.8
174.05493	2.3
176.07039	4.2
178.04985	1.0
179.47304	0.6
181.04930	0.7
182.08322	0.5
185.10785	1.0
186.09087	0.5
188.07147	0.7
190.04985	17.3
190.06691	0.9
197.10712	1.0
198.07657	0.6
198.09216	1.4
198.11537	0.5
199.08690	1.4
199.12314	0.8
201.10298	0.7
204.06554	31.0
209.10602	0.7
210.09175	0.7
211.08694	1.1
211.12328	0.8
212.09502	1.4
213.10251	3.1
214.09026	0.5
214.11053	1.2
215.11812	3.2
223.08698	1.1
223.12350	0.6
224.09343	1.0
225.10197	3.3
226.08719	1.0
226.11034	0.8
227.08244	0.8
227.11710	2.2
229.09714	0.6
234.09070	0.9
236.09525	1.1
237.05374	2.6
237.10306	2.4
238.11105	1.8
239.11827	1.7
240.12558	0.6
241.09698	4.0
241.13332	0.9
242.10609	0.6
243.11276	14.2
245.12851	1.0
249.10294	2.0
251.08119	1.0
251.11859	1.7
252.08960	0.5
253.09648	2.4
253.13385	0.8
254.10344	0.7
255.08997	0.6
255.11198	2.7
257.09320	0.7
257.12805	2.1
259.11050	1.1
261.10428	0.5
263.08139	0.6
263.11850	0.7
264.08929	3.1
265.09705	1.8
266.10327	0.6
267.08438	0.5
267.11240	2.4
269.09286	2.5
269.12924	1.4
270.09964	0.7
271.10709	2.7
273.12320	4.2
274.13126	0.8
277.09763	2.0
277.64203	0.5
279.11240	3.9
280.11954	0.7
281.09213	1.7
281.12622	0.9
283.10739	4.6
284.11569	1.3
285.12329	25.9
286.12790	0.9
287.10199	6.2
290.13010	0.6
294.09955	0.7
295.10770	1.1
296.11469	0.6
297.12375	7.6
299.10391	2.7
299.13980	3.5
300.11243	1.4
301.11853	3.3
302.12650	1.4
303.13376	26.3
304.14322	1.2
307.10834	1.3
309.12369	1.2
311.10300	1.2
313.11746	2.1
315.13669	1.0
316.10873	0.7
316.14505	1.0
317.15338	1.1
318.15997	0.9
323.10291	5.9
325.11816	20.8
326.12512	1.6
327.13556	2.9
328.14487	1.0
329.11639	1.4
330.12476	1.9
332.14169	0.7
337.11859	0.8
339.13632	0.6
341.12070	0.6
342.12619	1.4
343.12936	6.4
344.14011	2.4
345.14767	1.1
346.15530	2.1
347.16245	0.8
354.12445	1.2
355.13113	0.6
356.13953	1.4
357.14453	13.9
358.11862	1.1
358.15555	4.3
359.16281	1.0
360.17242	0.8
362.15161	0.6
368.14011	1.6
370.11865	1.5
370.15851	1.1
371.12741	2.1
372.13217	3.1
373.13898	3.8
373.18179	0.6
374.14957	2.4
376.16745	1.0
382.15872	0.8
383.12360	0.8
384.13245	1.0
384.17581	0.7
385.14420	1.8
386.14996	7.6
387.15762	3.8
388.16745	1.0
390.18689	0.8
392.16150	0.9
394.17679	1.2
396.13394	1.2
397.14011	0.6
400.16656	1.0
401.13358	2.5
402.13980	3.8
403.15219	0.7
404.15958	3.4
406.17422	2.8
410.14923	0.8
412.16714	1.3
413.14615	1.1
414.14474	9.2
415.15298	16.2
416.16144	2.4
418.17572	1.9
420.15515	4.8
426.14584	0.7
428.16190	2.8
430.17911	2.6
432.15521	12.8
433.15894	0.7
438.15344	2.7
444.15067	2.6
446.17108	4.1
447.17587	0.8
456.15515	6.7
457.16153	0.6
458.16843	0.9
462.16550	9.1
464.18469	0.8
465.18588	2.9
474.16559	19.3
475.16940	0.8
476.18213	1.3
487.16974	0.8
488.18155	0.6
494.18872	2.1
497.21909	0.5
506.19089	7.1
511.23236	0.5
539.23212	0.8
581.23688	1.3
583.25598	2.0
585.23511	3.6
591.22223	1.0
599.24988	1.8
609.23358	9.4
611.24921	0.6
627.24463	100.0
628.24719	3.0
636.21637	1.4
641.26056	3.1
645.25238	1.0
659.27130	14.7
668.24530	0.7
677.27997	0.7
771.28503	0.9
789.29700	9.1
803.31061	0.7
821.31818	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.3809
Annotation	Unknow
Peak:m/z	Relative Intensity
59.78802	0.4
65.83970	0.4
68.05024	4.6
70.06579	2.4
71.55147	0.5
72.07771	0.4
72.08143	5.9
82.06554	1.1
84.08147	1.9
86.09663	0.7
86.23916	0.4
91.05472	3.1
94.02900	3.0
94.82722	0.4
95.27265	0.4
96.04459	0.8
98.21047	0.5
103.05441	0.7
105.07001	0.4
107.04912	1.1
111.05573	0.6
119.04904	2.7
120.08097	8.2
121.06496	2.3
129.07016	0.4
131.04930	0.4
131.91875	0.4
133.06461	1.5
134.05963	1.1
135.06770	0.7
136.07564	15.4
137.05963	0.6
142.07742	1.3
143.08530	1.4
145.06450	1.2
146.05997	1.5
147.04347	0.7
147.06824	0.5
148.07518	1.7
157.06496	2.5
157.10136	2.8
159.08026	2.0
159.11664	0.4
160.07570	3.5
161.09570	1.1
163.07491	0.7
167.08525	1.3
170.07251	7.2
171.08037	1.0
172.07562	2.2
173.09607	1.3
174.09135	1.8
175.11163	2.1
176.10686	2.3
177.09143	0.5
183.07991	0.9
185.09604	42.3
186.12775	1.1
187.11156	1.9
188.10776	0.4
189.09106	3.0
190.12262	4.3
191.65959	0.4
200.10706	7.4
201.11432	1.8
202.12253	100.0
203.12540	1.7
204.13812	1.2
205.08556	0.9
212.10652	1.1
213.09106	0.7
214.12198	0.8
217.13367	0.4
219.10127	0.9
219.14915	5.1
220.13293	2.4
228.10185	1.5
229.13271	0.6
230.11807	0.7
231.10153	5.3
236.12898	0.5
243.11403	0.7
245.12895	0.7
248.12791	12.9
252.13724	0.6
256.16919	0.7
258.18491	0.6
263.13702	0.5
265.15457	15.9
266.15726	0.4
273.19510	1.1
274.18045	0.5
274.66821	0.4
275.21356	0.4
285.12234	0.6
295.14340	3.2
301.19080	1.3
312.17126	1.4
319.20068	2.1
320.16522	1.6
322.18018	0.9
323.13855	1.5
337.19073	1.6
338.17429	1.2
340.16565	8.0
344.19757	3.5
347.19736	5.0
358.17575	3.9
365.18680	0.8
366.16965	1.4
383.19598	3.9
386.17087	2.6
394.21539	0.6
411.19101	8.4
411.24225	0.8
430.21292	1.2
439.23215	1.9
458.20908	1.0
464.25562	0.6
475.23572	0.9
476.21921	0.5
485.23758	1.4
503.23068	1.3
504.21298	1.1
507.26447	0.7
510.26196	4.0
521.23962	3.0
535.26080	0.5
549.23383	7.5
553.26740	0.5
574.30084	2.1
585.26831	4.4
602.29694	52.9
603.29114	3.4
620.30811	5.2
630.29218	14.0
648.30231	23.7
649.30310	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.3799
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06577	3.1
71.32332	2.2
72.08150	9.8
79.05548	0.9
84.08158	1.4
86.09711	2.4
88.03482	1.0
90.58836	1.0
91.05460	11.0
93.04504	1.8
96.28773	1.0
103.05476	2.6
105.07013	1.3
107.04949	3.7
111.05555	45.3
117.07037	1.8
119.04918	7.4
120.08092	68.8
121.06461	3.1
129.06967	1.8
129.10219	0.9
131.04918	3.9
131.08572	2.0
132.08070	5.1
133.06471	3.8
135.05502	2.4
136.07550	29.7
137.05946	2.4
142.07770	2.3
143.08543	2.2
144.08005	1.0
145.06480	3.2
145.10103	1.2
146.06065	1.5
147.04460	1.8
148.07571	4.2
157.06436	3.1
157.10107	6.0
158.07249	1.8
159.08052	4.5
160.07588	7.7
161.05919	1.7
161.09619	5.9
162.09116	12.9
163.07532	1.4
167.08530	2.5
170.07271	8.1
171.08043	1.9
173.09573	2.8
174.09148	5.9
174.10461	1.9
175.11182	2.7
176.10724	1.1
185.09607	46.6
187.07436	1.2
187.11177	6.5
189.09079	35.4
190.08578	1.8
190.12262	1.8
200.10695	4.0
201.08980	1.1
202.12245	55.2
203.10664	4.3
204.13838	1.5
212.10686	6.8
213.09010	4.7
214.12277	3.0
215.66637	1.0
222.51591	1.1
231.10141	35.9
248.12790	26.3
250.14395	1.3
282.12497	2.2
295.14417	8.7
312.17081	4.6
323.13837	11.9
329.18515	4.0
340.16510	38.8
341.14877	31.3
347.19559	1.4
350.17496	1.5
358.17337	2.0
368.16272	2.6
375.19241	2.9
383.19589	1.6
386.17072	100.0
387.17581	3.1
396.15417	2.4
411.19095	2.5
422.20627	3.1
460.22241	3.1
485.23904	13.3
503.22858	1.5
504.21289	6.7
511.23291	1.7
529.24603	6.9
531.22418	1.5
538.25568	7.6
549.23499	26.7
557.23749	3.3
574.30725	1.3
575.25055	5.3
585.26685	4.9
589.29163	3.0
602.29736	21.0
603.28638	1.5
620.30493	4.0
630.29382	10.9
648.30115	30.3
649.30267	1.6
656.30884	1.9
674.31250	3.3
693.28839	1.8
720.30426	2.1
763.38129	2.2
791.36694	4.6
809.37878	4.7
819.36108	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	837.3806
Annotation	Unknow
Peak:m/z	Relative Intensity
59.21080	0.4
67.05492	3.8
68.05017	7.2
69.05798	9.1
70.06583	6.2
72.08147	10.3
79.05476	0.6
80.05005	1.2
82.06577	2.2
84.08132	48.5
85.08463	0.6
86.09663	0.5
91.05464	4.2
94.06577	1.2
95.04974	0.6
96.04500	1.3
96.08138	2.2
103.05474	0.6
107.04927	1.3
108.08126	0.5
112.07619	1.8
113.07085	0.6
114.05506	0.6
115.05477	0.6
117.05803	0.4
117.06996	0.6
118.06528	9.4
119.04942	1.7
120.08128	0.9
121.06512	1.1
122.09652	11.6
123.04490	0.8
123.05554	2.8
123.10444	0.7
124.11234	0.8
129.06982	0.7
130.06534	0.5
130.08617	0.5
131.07315	1.5
131.08589	0.4
132.08075	3.6
134.06001	11.5
134.09605	2.2
135.06787	1.6
135.10429	1.9
136.07558	10.0
136.11192	7.4
137.11850	0.4
138.12762	6.3
141.06979	0.5
144.05800	0.6
144.08095	0.9
145.06464	1.7
146.06036	1.8
146.09659	0.5
147.04428	1.0
147.08035	0.5
148.07620	0.5
157.06485	1.8
157.10138	0.6
159.06941	0.5
159.07982	2.4
160.07552	2.3
161.08369	0.5
161.09590	0.8
165.05475	3.2
168.08136	0.6
169.06451	0.7
170.09666	1.0
171.08083	1.3
172.07561	0.7
173.09647	0.4
174.09129	34.4
175.09628	0.8
179.11794	1.7
182.08136	1.9
183.14969	1.4
184.07558	2.7
185.06029	1.1
185.08244	0.5
185.09633	1.8
186.09106	6.7
187.09793	0.6
187.11253	0.6
188.07019	2.5
188.10710	2.8
189.09096	4.4
190.12309	1.0
197.10776	0.5
198.09174	1.6
200.10722	2.0
202.08604	1.1
202.12285	5.5
203.11794	17.8
207.11205	0.4
211.11192	0.6
213.10265	6.9
214.08635	1.0
217.13448	1.0
217.88161	0.4
219.14873	4.7
223.11029	0.9
228.13855	1.6
229.13425	0.6
229.37625	0.5
231.09891	2.3
233.12871	1.1
238.12447	0.6
240.13927	1.7
241.09686	15.6
242.10170	0.6
247.14420	0.7
248.12692	7.0
249.12398	0.6
257.16534	2.7
257.18945	0.5
259.10797	1.5
265.15451	18.7
266.15738	0.6
269.16467	2.3
271.18085	1.3
272.16574	1.7
273.16406	0.5
273.19653	1.0
275.13947	1.3
283.10754	3.7
293.14978	1.4
297.16025	0.6
301.19052	0.4
302.18597	3.2
314.18738	2.6
315.16968	0.8
316.17651	0.4
317.18478	4.5
318.21735	0.8
319.20178	3.3
321.14410	3.1
330.18250	0.6
337.19125	0.7
342.18256	1.1
347.19720	1.2
358.17615	1.3
359.16052	1.9
360.19153	6.3
364.22339	0.9
374.20767	1.0
375.19580	0.5
383.19913	0.5
388.18790	0.5
389.22363	0.5
392.21799	1.6
404.23380	0.5
406.25089	0.9
411.19165	1.8
420.21307	1.5
421.21002	2.8
432.22983	2.1
434.24155	2.3
449.19873	2.0
449.26129	2.0
450.24094	3.6
460.22089	1.2
461.20764	0.5
462.23441	0.5
477.24966	0.9
478.23361	12.2
495.26001	14.2
495.33075	0.9
496.26202	0.7
505.24472	0.9
506.22760	2.8
522.22266	1.2
523.25531	12.5
524.25623	0.6
551.24927	20.0
552.25250	1.1
555.28204	0.6
559.28754	1.2
577.30017	3.6
578.33026	0.7
579.24298	1.0
587.28687	5.2
594.32513	1.6
604.31122	4.5
605.29614	4.4
606.31421	0.7
621.29321	1.5
622.32263	41.7
623.32281	2.6
632.30823	3.1
650.31750	100.0
651.32239	5.1
686.68768	0.5
710.31622	0.8
809.37720	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.3811
Annotation	Unknow
Peak:m/z	Relative Intensity
68.05026	9.8
69.05798	14.6
70.06586	15.6
70.73834	2.9
72.08152	18.4
76.88628	0.9
82.06582	1.8
84.08138	11.6
86.09677	1.4
91.05467	5.5
96.04500	1.7
96.08131	1.8
97.07599	1.3
105.43075	0.9
107.04965	2.7
113.07127	5.1
114.05588	1.4
115.05472	1.5
118.06527	19.7
119.04934	1.5
120.08131	1.0
121.06514	2.2
122.09642	11.9
123.05547	3.8
125.07041	1.2
129.06999	2.3
130.06488	1.0
131.04881	1.7
131.07361	1.2
132.08072	6.3
133.06441	1.9
134.05991	14.4
135.06815	3.3
136.07564	8.2
136.11205	1.7
138.12805	1.4
142.07716	1.2
144.08102	1.7
145.06474	3.4
145.10048	1.1
146.05992	5.6
147.04440	1.3
148.07610	2.0
152.33395	1.0
157.06467	2.7
157.10136	2.9
158.09718	1.1
159.06839	1.4
159.08040	6.2
160.07567	7.1
161.05971	1.8
161.09618	4.2
163.07573	2.5
165.05473	1.3
167.08591	1.6
169.06398	1.1
170.07263	3.6
170.09596	1.0
171.08073	3.2
172.07539	1.3
173.09604	3.1
174.09128	55.9
175.11230	3.4
176.10707	3.4
177.09132	1.8
183.08064	1.3
184.07587	2.5
185.06140	2.1
185.09596	28.9
185.11134	1.8
186.09102	9.4
187.11176	3.2
188.07077	4.5
188.10719	4.0
189.09082	13.4
190.12271	5.5
196.07661	1.6
200.10686	10.6
201.11459	2.1
202.12256	68.7
203.07080	1.1
203.11804	23.0
204.13858	2.1
205.08574	2.2
213.10291	8.4
214.08652	1.4
214.12234	2.5
217.13321	1.8
219.10213	1.8
219.14882	5.4
220.13274	4.0
225.33983	1.1
226.12276	1.2
228.13731	1.3
230.11644	5.0
231.10062	16.7
233.12878	1.4
240.13797	1.7
241.09708	20.7
246.11325	1.6
247.14406	1.4
248.12656	20.1
252.13745	2.4
253.14493	1.2
256.17096	1.7
257.16562	3.4
259.10812	2.3
265.15442	22.0
269.16537	1.7
270.17249	2.0
273.19617	1.6
275.13879	2.5
283.10773	4.2
293.14969	4.1
297.16000	1.8
302.18658	5.7
314.18591	1.9
315.17209	1.4
317.18484	2.6
319.20169	3.5
321.14438	4.7
325.15704	2.1
342.18155	2.2
346.21121	1.7
347.19745	4.9
356.33679	1.0
358.17664	3.2
359.16153	1.5
360.19159	12.7
364.22296	1.7
374.20914	1.6
375.19382	1.4
387.20801	5.2
388.18564	3.0
389.22021	1.8
392.21741	2.2
404.23306	3.7
411.19324	1.9
420.21304	1.8
421.21234	2.5
432.22763	13.7
434.24170	3.0
449.20297	4.3
450.23965	3.7
460.22217	9.3
477.24985	3.5
478.23364	12.1
495.25772	6.1
505.24481	2.1
506.22961	4.6
522.22205	1.9
523.25500	16.4
531.29572	7.2
533.23944	1.8
551.24988	35.2
559.29224	5.6
561.30219	1.1
576.31244	2.1
577.30090	2.7
587.28589	59.6
588.28613	2.7
604.31177	8.7
605.29346	6.9
621.28809	2.0
622.32220	32.7
623.32971	2.4
632.30688	7.3
650.31769	100.0
651.32068	6.2
710.31671	2.8
731.01135	1.1
733.12628	1.1
742.31030	1.0
791.37701	14.3
809.38318	1.8
837.37384	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	836.593
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04993	13.7
61.02910	1.0
67.05493	3.0
69.03400	1.0
69.07056	3.5
69.56905	0.8
70.04972	3.3
70.06593	1.6
71.04977	1.3
71.08623	58.4
72.08148	2.5
73.02907	2.7
73.06553	5.4
79.05479	1.6
81.07044	3.1
83.08601	1.0
84.08116	1.0
85.10172	33.4
86.09692	2.6
87.04455	21.8
89.06020	100.0
91.05479	1.3
93.07040	2.1
95.04990	0.9
95.08589	2.1
97.10148	2.1
103.07566	7.2
105.07009	1.3
107.07059	4.1
113.05975	1.4
117.09103	4.5
119.08543	0.8
125.09678	1.4
127.14816	2.7
128.07039	0.9
130.08630	3.6
131.07042	7.2
133.08589	72.2
138.13109	0.8
147.11777	1.0
161.11676	1.1
175.09647	3.8
177.11209	25.6
185.18991	4.4
193.10782	0.8
217.14363	3.1
219.12247	2.1
221.13718	4.8
223.15407	1.0
227.94943	1.2
229.21582	3.0
239.14806	1.1
283.17493	2.5
309.19345	1.2
335.25638	2.6
371.22916	1.0
477.35760	1.1
503.48270	0.9
506.64597	1.0
635.39008	1.7
836.58484	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	835.3652
Annotation	Unknow
Peak:m/z	Relative Intensity
59.11171	1.1
62.03841	1.0
66.42355	1.1
67.04223	3.4
67.05496	1.8
68.05022	9.0
69.05811	11.2
70.06581	6.5
70.39542	4.7
72.08147	12.8
79.05444	1.4
80.05006	2.9
82.06574	31.7
83.07350	3.0
84.08129	2.7
91.05470	7.2
94.06560	6.4
96.04492	2.0
96.08131	3.0
98.21176	2.9
100.07555	1.0
106.06492	1.8
107.04948	2.1
110.06060	1.6
118.06549	11.2
118.94514	1.1
119.04899	1.6
120.08098	5.2
122.09699	1.5
123.04504	1.2
123.05498	5.5
129.06976	2.3
131.07339	1.9
132.08083	6.7
134.06003	10.2
134.09637	13.7
134.10579	1.7
135.06799	2.6
135.10443	10.8
136.07578	12.7
136.11179	12.5
137.05931	1.2
144.08078	2.5
145.06480	1.8
146.05983	3.3
146.09651	1.8
148.07645	1.8
157.06425	1.6
159.08000	3.1
160.07568	3.1
161.58649	1.2
165.05518	1.8
171.08041	1.5
173.09563	1.3
174.09126	49.8
175.09500	1.9
175.69495	1.1
177.10187	1.2
178.11018	1.3
179.11818	4.0
181.13359	4.9
182.08116	1.7
183.08057	4.9
184.07541	2.6
186.09119	9.3
187.07559	3.8
188.07076	2.0
188.10748	2.2
190.12291	2.6
196.12683	1.4
198.09196	2.4
200.10629	7.4
202.08604	1.2
202.12270	2.2
203.07141	2.0
203.11763	21.6
213.10167	7.6
217.13358	2.7
218.11786	1.7
220.09717	2.4
229.08649	2.2
231.11404	1.4
240.13791	1.4
241.09731	14.5
246.11259	4.7
248.13931	2.4
249.12395	1.5
257.16501	1.8
259.10715	1.8
263.13953	9.0
269.16437	3.4
273.12427	1.4
283.10687	7.2
312.17105	2.6
313.18073	2.8
317.18488	2.1
319.12860	2.4
340.16602	2.3
358.17584	5.0
362.20569	1.9
390.20218	2.0
439.23099	1.7
447.18967	1.5
448.21957	2.9
476.21603	6.8
493.24512	4.7
504.21317	2.0
517.15338	1.3
520.20770	2.9
521.23920	7.1
549.23328	20.4
575.28790	2.1
575.49866	3.2
585.27100	5.6
602.29468	5.1
603.28265	5.5
620.30713	50.0
621.31323	2.8
630.29071	3.2
648.30188	100.0
649.30670	6.3
835.33954	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	834.6135
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04720	1.6
59.04996	26.1
68.45740	1.0
69.07050	3.2
69.56675	8.0
69.57082	2.5
71.08624	93.8
73.02916	1.1
73.06535	3.7
74.53352	1.1
76.95128	1.3
81.07040	1.5
83.08612	2.3
85.10173	81.1
87.04454	19.5
89.06021	100.0
97.10154	4.3
99.11729	13.9
107.07072	2.8
111.11655	1.6
113.05994	1.9
113.13268	6.8
117.09132	8.4
130.08614	4.3
131.07080	6.4
133.08591	79.1
137.42070	1.2
155.16878	1.5
155.17915	8.3
175.09633	5.8
177.11212	29.3
181.74873	1.3
188.78687	1.4
213.22118	16.8
221.13841	5.1
239.14874	1.9
254.24715	2.0
265.16434	1.6
271.26282	4.9
283.17474	2.4
292.59406	1.2
324.64697	1.3
328.77573	1.2
547.33240	7.5
784.75763	1.5
806.14355	1.4
834.61072	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	835.302
Annotation	Unknow
Peak:m/z	Relative Intensity
61.69153	0.6
67.05502	1.1
70.73866	0.5
70.84659	1.3
70.85001	0.7
79.05501	1.5
81.03418	0.9
81.07044	1.3
91.05473	1.1
93.07055	1.2
94.06557	1.7
95.08591	1.1
97.10159	0.7
105.07046	0.7
105.87841	0.6
107.08555	0.7
108.08103	1.8
117.07058	0.8
118.06551	1.8
120.08124	2.0
122.06030	0.8
122.09659	1.9
132.08055	0.9
136.07570	2.2
144.08089	0.6
146.06030	1.9
146.09583	1.3
148.07585	4.5
150.60138	0.6
157.10153	0.6
158.09700	1.1
159.09200	0.7
160.07530	0.8
161.07016	0.7
162.09154	0.9
164.10690	0.9
167.07179	0.8
171.10364	0.7
173.10762	1.1
174.09186	0.6
175.08664	1.5
176.07188	0.7
181.08852	1.6
182.09671	0.8
183.09087	0.8
184.07516	0.7
186.09169	1.1
187.05115	1.2
187.08682	2.5
188.05624	0.7
189.06613	1.6
194.09673	0.7
195.10451	3.2
196.11330	0.9
197.10693	3.0
198.12921	0.9
199.08635	0.7
201.06621	0.8
201.10300	2.6
203.08284	1.0
209.10425	0.7
209.12103	1.8
210.11359	3.5
211.12230	6.3
212.09441	0.6
212.13036	4.4
213.10294	0.6
215.04561	1.3
215.08170	4.3
217.06160	1.5
221.10587	0.9
223.12366	1.7
224.14555	1.4
225.06595	1.0
225.10454	2.9
225.13843	15.4
226.11124	1.0
226.14613	10.6
227.08136	1.3
227.15359	2.2
229.06107	1.9
229.09805	2.6
230.06892	1.4
231.07690	2.0
233.09114	0.9
234.11469	1.0
236.09399	0.9
236.13095	0.9
237.10213	0.9
237.13809	3.3
238.10938	1.7
238.14607	0.9
239.11771	6.3
239.15358	5.0
240.12550	8.4
240.16190	1.8
241.13197	1.7
241.16968	11.1
243.04140	0.7
243.07668	6.2
243.11308	1.4
245.09084	1.0
247.12405	2.1
248.13174	1.6
249.13936	2.3
251.11838	2.5
251.15494	2.0
253.13347	26.8
254.14124	26.5
255.14839	9.5
257.09189	4.4
259.07129	2.7
259.10571	0.7
261.14047	1.4
262.11011	0.7
262.14725	1.8
263.11856	1.4
263.15329	0.7
265.13324	10.9
266.14056	1.7
267.11365	1.6
267.14948	7.1
268.15723	4.3
269.08978	0.8
269.16476	26.6
271.07153	2.2
271.10791	2.4
273.08612	4.5
275.15372	0.9
276.12723	1.2
277.13419	8.7
277.16992	2.9
278.14078	0.9
279.14868	4.7
280.15753	2.4
281.16556	2.6
285.08676	5.4
286.09290	0.8
287.10306	6.0
289.08249	6.5
290.14166	1.2
291.14890	1.4
292.14612	0.8
293.12903	0.8
295.18164	1.2
299.06766	0.8
299.10086	1.3
301.12149	0.6
303.09738	7.7
305.16470	7.3
307.14621	1.2
311.17529	1.9
313.08212	2.9
315.09775	6.4
317.07681	1.1
317.11346	1.1
321.15985	2.2
322.16730	0.8
323.17398	4.2
327.09845	0.8
329.11475	1.7
331.09265	4.1
338.18600	1.2
341.07761	1.4
345.10956	2.0
348.17166	0.9
349.10312	1.0
355.09265	0.8
359.08875	1.7
363.11960	1.7
373.10443	1.6
377.09802	1.4
391.11044	1.1
405.12946	1.7
499.19659	0.7
510.22491	0.8
527.23035	1.7
538.22241	0.8
539.23065	1.1
541.20618	0.9
555.25800	1.0
556.23151	1.2
557.24109	1.4
565.24567	0.7
567.22223	0.9
576.69666	0.7
583.25525	8.7
584.24524	0.7
585.23401	2.7
599.24969	16.6
600.25177	1.1
609.23419	1.8
627.24457	100.0
628.24756	7.5
641.25909	5.3
645.26123	0.9
659.27081	46.1
660.27356	3.8
851.65808	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	834.614
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04995	46.9
60.61830	1.6
67.05489	1.8
69.07060	4.3
71.08625	100.0
73.02894	1.9
79.05495	1.7
83.08604	5.3
83.59226	1.4
85.10175	94.9
87.04467	9.7
89.06023	64.6
97.10158	2.6
99.11729	8.8
101.09667	1.6
103.07624	2.3
105.07007	1.7
107.07028	2.3
111.31553	1.5
117.09121	16.7
130.08682	1.7
131.07094	3.1
133.08603	48.7
141.16379	9.8
175.09712	3.5
177.11209	22.1
199.20558	21.1
219.12263	1.8
221.13834	3.4
224.02946	1.4
240.23128	2.3
255.98456	1.7
257.24744	24.8
283.17542	1.7
503.30603	6.1
663.41638	2.8
834.61871	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	829.2801
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99519	1.1
61.02869	0.5
69.03353	2.1
69.66608	0.3
70.02908	0.3
70.06539	0.6
71.01308	0.4
71.04915	9.4
71.05331	0.5
71.05550	0.4
73.02879	0.5
73.04031	3.4
74.02368	1.2
75.04427	0.5
76.02131	1.0
76.03916	2.0
79.05489	3.4
80.04932	1.3
81.03411	10.0
83.04891	1.0
84.04498	26.5
84.04966	1.5
84.23452	0.4
85.02895	12.9
86.98988	1.0
87.04382	0.8
88.02151	0.4
88.25634	0.4
89.03901	0.5
90.07078	0.3
91.05381	1.0
95.04909	0.4
95.57745	0.3
96.04407	1.1
96.04970	0.3
97.01080	0.6
97.02865	1.9
98.05965	1.0
99.04397	0.4
101.96773	0.3
105.03383	1.8
106.06544	6.2
107.04945	3.7
107.05999	0.4
108.04430	0.6
109.02804	0.7
110.05954	1.0
111.02585	1.2
111.05445	0.9
112.02111	0.8
112.03947	1.7
113.00509	1.3
114.03645	1.4
114.05482	0.6
115.02050	0.4
116.01672	8.5
116.04968	14.3
117.06966	0.3
118.06457	0.7
123.75517	0.4
127.03836	1.0
129.05440	0.5
129.06697	0.4
130.04988	10.9
130.06435	0.9
132.04385	0.7
133.07591	3.2
134.06004	15.0
136.03938	2.2
138.03659	0.6
139.02110	12.0
140.01611	2.5
142.03204	10.1
142.04933	1.2
144.01141	4.9
144.08069	2.6
145.06146	0.7
145.07455	0.5
145.14351	0.4
146.05974	0.6
149.07083	3.6
151.08646	4.0
153.06517	0.6
154.04950	0.4
154.06416	0.5
155.04372	1.0
155.08080	0.6
156.04764	6.3
156.08099	3.1
157.05988	2.9
157.07503	1.5
158.05933	0.5
162.02190	12.2
162.07663	0.4
165.06483	0.5
167.01582	3.2
170.01392	0.4
170.02715	4.9
170.04337	0.5
171.09148	8.0
172.07474	1.5
181.06009	0.7
184.04274	0.8
185.07109	1.6
188.05463	0.7
188.06970	1.0
189.07716	0.5
190.08492	0.4
193.06070	0.7
194.06358	1.8
199.05367	0.7
199.08656	12.1
200.07071	2.7
202.08688	1.7
204.04654	0.4
207.07484	1.2
208.08322	1.2
211.07082	2.7
213.08597	0.6
217.09767	2.4
218.06602	0.3
218.08156	2.9
221.09206	0.6
222.05826	36.6
223.06145	0.8
224.03606	0.5
227.04794	0.7
227.08179	4.3
228.06439	0.8
232.04353	0.4
235.10706	0.7
242.04785	7.8
243.04291	0.5
245.05885	2.3
245.09201	17.1
246.07515	1.8
246.09726	0.5
249.06882	0.4
250.05322	12.7
251.05713	0.4
257.07639	1.2
259.07538	3.6
263.10254	18.7
267.07950	1.7
268.06274	0.5
277.06436	0.5
277.37247	0.4
288.06244	0.4
295.07269	1.7
313.08340	0.9
323.06964	0.5
325.08505	5.8
338.11688	0.4
370.10840	0.5
371.09033	1.1
388.11771	0.5
425.15509	3.1
464.14780	0.4
504.14423	0.4
521.16956	17.1
522.17322	0.5
683.22211	100.0
684.22485	6.7
829.27948	15.1
830.27783	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	827.3339
Annotation	Unknow
Peak:m/z	Relative Intensity
61.66062	1.8
65.03950	1.8
67.05479	4.0
69.03413	1.9
69.35783	1.8
70.06578	23.1
71.73686	2.2
74.68797	1.9
79.05491	4.1
80.05006	3.0
81.03395	2.5
82.06566	3.3
84.04488	3.2
84.08141	20.4
85.02893	6.8
86.09686	13.5
87.21134	1.8
88.03973	2.5
89.03934	2.6
91.05481	4.7
93.07026	9.7
94.06560	17.6
95.04981	2.2
95.07361	9.8
96.08126	27.6
98.06025	2.6
103.05421	1.9
104.04938	1.8
105.07008	2.8
106.06531	5.4
107.07325	2.7
107.08604	1.8
108.04498	3.1
108.08104	27.4
110.05999	2.6
110.07134	3.3
110.09663	38.8
116.04970	9.5
117.05690	1.8
118.06521	4.3
120.04428	7.0
120.08091	27.4
122.06027	18.1
124.07578	33.8
129.10242	22.1
132.04428	2.4
134.05983	11.3
136.07570	37.6
137.05960	3.4
137.37730	1.8
138.05531	2.8
138.09119	50.9
144.04419	17.9
144.06509	2.2
146.05986	34.8
146.09604	2.1
147.07628	2.7
148.07553	20.5
150.05534	2.6
150.09113	2.7
152.07091	12.5
160.03903	4.0
160.07545	3.6
162.05453	14.0
164.07039	9.8
166.08623	70.9
167.07019	3.6
172.03918	95.6
173.04277	2.3
174.05521	5.5
175.06097	1.7
176.07066	24.6
178.05017	7.2
178.08594	3.7
180.06580	2.7
183.14940	3.8
188.07027	4.8
190.04968	79.0
190.08559	3.4
190.69106	2.0
192.06523	5.2
194.08087	9.1
197.10732	2.4
201.12268	10.9
202.05043	2.4
204.06540	96.0
205.06798	3.1
206.08145	5.1
208.06009	2.3
208.09645	2.8
209.10431	1.9
212.09192	4.1
216.06555	2.4
218.08083	4.3
223.12204	2.8
224.09161	3.4
225.10260	4.3
226.10934	3.8
227.11717	5.3
229.11650	3.9
230.08083	2.4
232.06015	2.4
232.09712	5.1
234.07533	3.3
235.08601	2.5
236.09209	8.1
237.10207	8.4
238.10712	4.2
239.08212	2.4
239.11740	5.8
241.13365	2.6
242.18556	3.5
243.11325	7.3
244.06007	3.7
245.12793	2.8
246.07530	3.9
248.09149	3.3
249.10216	10.8
250.10907	7.9
251.07851	3.0
251.11752	12.1
252.08882	5.5
252.12332	2.2
253.09697	8.9
253.13214	4.7
254.10242	6.0
255.11282	9.8
256.11978	2.6
257.12576	3.1
259.14532	2.2
261.10120	3.6
262.07150	5.1
262.10931	7.7
263.08072	3.0
263.11716	11.6
264.08804	8.0
265.09695	9.2
265.13193	3.6
266.10370	6.6
267.11221	13.7
268.11890	2.7
269.12860	3.3
271.11069	2.3
271.14316	7.9
272.05569	4.3
273.12296	8.6
276.08646	3.0
277.09695	8.5
278.10266	29.9
279.11172	16.3
280.08157	13.2
280.11777	8.0
281.09143	1.7
281.12769	8.9
282.09814	3.9
283.10718	5.5
284.11536	2.4
285.12354	13.2
289.09579	3.9
291.11261	11.6
292.12073	2.9
293.09167	5.3
293.12793	8.6
294.09738	6.7
295.10641	8.5
296.08246	1.7
296.11288	43.3
297.12274	31.5
298.09366	3.1
298.12665	4.3
299.13840	38.1
303.10748	3.0
303.13626	3.2
305.09222	2.7
307.10623	10.1
308.11530	3.1
309.12305	17.3
311.10202	8.1
311.13654	3.6
313.11758	3.9
314.12445	16.1
315.13467	2.1
318.09964	2.2
319.10611	9.8
320.11026	2.3
321.12247	17.5
323.10269	22.9
324.10989	3.8
325.11798	81.3
326.12448	3.3
327.13336	14.8
331.10550	3.1
335.10214	5.7
337.11841	20.0
339.13284	5.5
341.11337	5.4
342.20218	3.1
343.13037	16.1
349.11746	3.4
351.13266	3.2
355.12723	2.7
357.14520	42.6
357.21094	3.8
358.21423	2.8
359.16196	9.5
361.11707	3.1
365.11124	5.0
367.12738	4.6
373.13672	7.4
374.14676	2.5
375.13364	3.4
377.11362	4.3
379.12573	2.4
389.11145	3.2
393.14084	2.3
395.12280	7.2
403.12894	2.1
407.12326	5.3
408.12811	2.6
416.15823	2.9
419.12170	6.0
421.13596	2.6
425.13251	4.2
431.12216	3.3
433.13937	3.2
435.17490	2.2
437.13651	5.0
446.20450	2.2
449.13242	6.5
451.14917	3.2
455.14557	11.4
462.20572	2.9
464.17609	4.4
467.14227	10.2
472.18625	2.0
473.15540	2.9
475.16623	3.6
476.17969	7.2
485.15610	2.6
490.19608	4.3
505.18402	4.3
520.20490	5.7
536.20251	2.5
549.17474	3.2
572.19971	2.6
576.23322	3.8
586.21533	4.1
594.24329	12.6
602.21246	12.8
604.22577	7.0
612.24487	2.4
616.22534	6.4
620.22369	100.0
621.22540	8.3
622.23383	7.5
623.94592	2.1
629.25818	3.6
634.24463	9.8
635.24719	2.9
638.23352	100.0
639.23981	9.6
640.24792	9.4
652.24957	51.4
653.25952	10.9
656.23981	2.6
670.26093	31.8
671.26184	2.9
672.26874	5.0
759.28162	6.7
777.28845	6.3
795.30017	7.8
826.49701	2.6
827.49902	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	826.5144
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04988	3.2
61.02921	7.5
65.03902	0.8
67.05496	57.8
68.05795	0.7
69.03390	1.9
69.07054	5.3
71.04948	2.0
71.08623	17.3
71.75515	0.8
73.02901	3.0
79.05440	1.6
81.03413	0.6
81.07051	15.0
83.04951	0.9
83.08191	0.6
83.08609	9.7
85.02402	0.6
85.02898	11.2
85.06496	1.7
85.10173	9.7
87.04406	0.9
91.03460	0.6
91.03947	8.0
91.05435	2.7
93.07008	2.7
95.08595	16.5
96.08915	1.0
97.02885	4.4
97.10152	3.9
99.04455	1.1
103.07539	1.2
107.08545	1.9
109.10143	60.6
111.08044	2.6
119.08583	3.4
123.11662	1.4
125.09621	0.8
127.03896	2.8
137.09557	2.3
137.13196	0.8
145.04915	2.2
155.10646	3.2
163.05957	3.5
173.11717	15.8
180.35106	0.6
184.07324	1.6
188.41968	0.7
229.14323	77.5
230.14641	1.3
239.23599	2.1
257.24771	1.8
267.67920	0.6
313.27328	80.8
314.27756	2.4
340.91733	0.8
445.41617	0.6
467.37286	100.0
468.37607	4.8
826.49756	3.2
827.49084	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	826.5146
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04987	2.2
59.53576	0.7
61.02653	0.9
61.02920	9.5
67.05496	56.0
67.59750	0.8
69.03401	1.8
69.07073	5.1
69.91351	4.9
71.04981	3.2
71.08621	15.0
73.02900	2.9
79.05461	0.9
81.07045	13.1
83.08611	9.0
85.02384	1.2
85.02897	13.9
85.06532	1.1
85.10175	8.5
89.06027	1.0
91.03948	6.1
91.05469	3.6
93.07031	3.0
95.08591	13.8
97.02879	5.9
97.10161	2.6
99.04420	1.0
107.08559	0.8
109.10143	59.7
110.10490	0.8
111.08055	2.1
111.11726	0.9
119.08547	4.1
123.11668	1.8
127.03893	2.3
131.00667	0.7
137.09563	2.7
145.04947	2.9
155.10652	3.1
163.05925	3.6
173.11713	18.7
229.14325	100.0
230.14760	2.1
239.23714	1.9
257.24835	1.5
308.36218	0.9
313.27319	76.1
314.27502	2.3
335.60895	1.0
467.37283	71.3
468.37546	3.1
645.50330	0.9
723.18146	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	824.551
Annotation	Unknow
Peak:m/z	Relative Intensity
58.26588	3.1
58.26865	2.9
59.85273	3.4
63.87943	3.1
65.03922	4.3
66.96538	2.8
67.05499	83.7
69.03419	15.4
69.07061	34.6
71.04993	7.7
71.49586	6.3
79.05480	67.0
81.03398	21.1
81.07048	100.0
83.04971	10.5
83.08620	20.8
85.02897	10.4
85.06511	6.5
91.05473	52.5
93.07034	88.4
95.04955	16.6
95.08593	47.6
97.02873	7.0
97.06509	16.6
97.10138	11.8
99.08089	6.4
100.97397	3.2
105.07018	49.9
107.04917	9.4
107.08575	49.2
107.09238	5.0
109.02831	7.9
109.06496	11.0
109.10157	19.8
111.04480	3.7
111.08051	6.4
117.07009	24.9
119.08556	39.9
121.06453	7.7
121.10110	32.1
123.08058	4.5
123.11687	8.5
125.09614	7.6
127.03873	9.4
129.06978	6.3
131.08543	28.9
133.10117	32.6
135.08034	3.5
135.11671	34.7
137.09567	4.1
143.08551	7.6
145.10117	22.4
147.11681	23.0
149.09590	11.5
149.13206	19.5
151.11169	5.7
157.10159	8.5
159.11665	26.7
161.09561	4.4
161.13242	12.0
163.11153	11.1
168.05460	3.0
169.10071	4.7
171.08043	3.3
171.11693	5.9
173.13246	13.6
177.12683	11.5
179.14279	8.0
181.12175	5.7
183.11623	5.4
187.11234	4.5
189.11131	4.0
195.13788	13.2
197.13297	3.4
219.13792	5.7
225.12563	4.4
227.12758	7.8
229.14156	3.4
239.17967	6.2
255.15909	29.1
257.18896	9.6
261.22122	15.6
262.25729	3.6
267.15665	3.8
269.17438	58.0
275.20035	44.7
293.20941	4.3
321.16940	4.5
335.25726	38.5
339.17844	8.9
349.23657	55.6
367.24731	12.4
369.24481	3.6
385.71341	3.2
387.25079	3.9
419.24133	5.1
503.32986	3.5
570.97772	3.7
609.45068	16.8
824.57172	5.9
856.78796	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	824.5504
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03915	3.2
67.05498	82.3
69.03416	8.6
69.07066	34.4
70.78145	5.3
70.78526	6.6
71.04980	4.3
71.08621	2.7
74.28318	2.8
77.03970	2.5
79.05482	55.1
81.03405	10.6
81.07047	100.0
83.04966	10.7
83.08605	15.2
85.02856	3.3
85.06531	5.1
91.05471	39.2
93.07031	70.2
95.04950	16.6
95.08591	58.6
97.02886	5.5
97.06525	13.9
97.10162	5.0
99.08084	5.8
105.04455	2.9
105.07024	38.4
107.04945	10.0
107.08569	47.3
109.06493	14.5
109.10144	25.1
111.08068	6.5
111.14071	2.8
117.06989	21.9
119.08564	30.2
121.06501	6.1
121.10128	31.6
123.08019	6.5
123.11668	10.1
125.09623	3.5
129.06953	6.6
131.08556	25.1
133.10126	30.2
135.08018	3.9
135.11690	26.4
137.09605	5.9
143.08527	4.7
145.10106	17.5
147.11665	21.9
149.09554	13.6
149.13232	22.4
151.11113	4.1
157.10129	6.4
159.11661	21.8
161.09613	3.9
161.13255	8.7
163.11160	9.5
163.14780	6.3
165.12735	4.6
171.11656	3.7
173.09763	3.3
173.13243	10.5
175.11223	4.4
175.14825	4.8
177.12714	6.8
179.14256	3.9
183.11696	3.3
184.07347	3.3
185.13219	3.2
187.14891	3.5
195.13800	7.9
199.14915	3.9
223.85841	2.9
247.20596	6.6
255.15863	13.4
257.19016	9.5
259.20557	3.3
261.22028	15.2
269.17462	51.4
270.17612	3.6
275.20020	73.2
293.21048	13.4
317.24698	4.4
335.21835	6.0
335.25775	92.6
336.26602	3.1
349.23669	79.4
367.24777	53.4
387.19803	2.7
413.21667	3.9
419.24298	7.6
437.25204	4.8
515.37128	21.7
529.38849	90.1
530.39215	3.9
569.41925	3.8
609.44867	18.8
627.45953	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	824.5511
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04999	2.4
65.03926	6.6
66.39638	2.4
66.71222	2.2
67.05499	99.6
69.03407	14.8
69.07063	34.2
69.39227	4.3
69.39632	25.1
71.04975	10.6
79.05489	73.1
81.03422	18.9
81.07053	100.0
83.04970	9.9
83.08607	18.9
85.02907	15.8
85.06548	5.3
91.05472	49.2
91.44973	2.6
93.07037	81.0
95.04968	14.8
95.08589	59.3
97.02882	6.8
97.06537	17.7
97.10174	14.6
99.04444	5.8
105.07020	52.6
107.04945	9.6
107.07922	4.1
107.08590	58.6
109.02872	8.1
109.06505	8.4
109.10141	29.6
111.08054	3.2
117.07013	20.3
119.08575	38.8
121.06461	6.3
121.10129	33.7
123.08070	4.5
123.11693	10.4
125.09629	12.3
127.03896	19.9
129.06998	11.0
131.08569	36.0
133.06483	4.5
133.10120	36.5
133.11058	4.3
135.08058	6.3
135.11662	26.3
142.07800	3.7
143.08556	9.0
145.10103	23.6
147.07973	2.8
147.11653	17.9
149.09642	16.6
149.13245	18.6
151.11197	5.4
155.08510	3.3
157.10147	7.9
159.11699	24.5
161.09631	4.9
161.13287	7.5
163.11154	12.8
169.10112	5.9
171.10229	4.2
171.11670	8.9
173.09698	3.2
173.13185	13.2
175.14867	2.7
177.12753	9.0
179.14285	4.3
181.12279	3.1
183.11703	6.8
184.07277	2.5
185.13229	4.1
187.11095	3.1
187.14748	5.7
189.11206	11.7
189.12790	3.9
191.14250	2.4
195.13780	10.6
197.13266	5.3
227.12737	10.3
229.19547	3.0
239.17911	8.0
243.21194	2.8
245.13777	4.1
245.44211	2.3
247.20590	5.9
255.15988	23.6
257.18994	15.0
259.20581	2.6
261.22064	10.5
269.17444	55.1
275.20026	67.3
277.21457	4.8
293.21057	6.8
302.94705	3.3
303.15750	2.9
335.25778	59.3
339.17993	3.7
349.23703	62.3
354.80487	2.8
360.00775	2.4
367.24728	24.5
383.22336	3.4
401.22952	4.2
419.24167	9.7
423.27606	3.3
437.25131	8.5
515.37079	5.1
529.38940	18.1
609.44794	20.1
627.45874	7.5
691.44037	2.9
825.47375	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	822.4467
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02220	0.4
57.03440	4.0
57.07052	0.9
59.59069	0.4
61.02919	5.4
65.03927	1.4
67.05497	26.7
69.03414	1.5
69.07065	9.6
70.06569	1.4
71.04980	2.2
71.73054	0.7
72.08118	0.5
73.02905	1.7
79.05486	17.1
81.03415	3.0
81.07046	37.5
81.25794	0.5
83.04984	2.4
83.08612	8.2
85.02898	5.9
85.06513	2.0
91.03946	3.5
91.05470	13.1
93.07034	24.2
95.04959	3.8
95.05477	0.6
95.08588	9.8
97.02879	3.0
97.06523	5.3
97.10152	1.3
99.04391	0.7
99.08081	1.6
104.60609	0.4
105.07016	6.9
105.96134	0.5
107.04941	1.2
107.08580	14.7
109.02861	0.7
109.06511	1.9
109.10153	2.5
111.08091	2.4
117.07016	5.1
119.08578	3.3
121.06491	1.3
121.10131	8.4
123.08073	0.8
123.11681	1.6
125.09607	0.5
127.03902	1.4
129.06981	2.1
131.04985	0.5
131.08554	8.9
133.10107	6.6
135.08041	1.5
135.11670	5.4
139.11238	0.4
141.07094	0.4
143.08546	1.6
145.04941	1.4
145.10071	2.1
147.11702	0.9
148.40392	0.5
149.13246	10.5
151.11165	1.1
152.06992	0.6
157.10110	1.6
159.11678	5.4
161.09648	0.5
163.05992	1.1
169.10129	1.0
171.11650	1.0
175.11125	0.5
177.12740	2.5
183.11714	0.8
185.13240	0.6
193.12306	0.5
195.13776	5.9
197.13106	0.7
206.95132	0.6
213.14745	0.5
226.04549	0.4
235.09785	0.4
251.16451	1.3
263.29416	0.4
267.16183	0.5
269.17435	21.0
270.17789	1.0
353.24808	2.0
371.25720	1.4
389.26920	1.0
413.21719	0.8
422.51828	0.5
427.28677	0.5
445.29456	13.8
463.30511	100.0
464.30872	3.6
481.31464	1.2
518.81812	0.6
571.32306	0.5
589.33777	1.1
607.34717	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	822.3787
Annotation	Unknow
Peak:m/z	Relative Intensity
57.15257	0.5
61.02916	1.5
70.06582	4.3
71.12590	1.5
71.12936	0.7
71.56123	0.7
72.08152	12.3
73.02914	0.7
74.00673	0.9
76.03984	1.4
80.04998	2.1
83.06117	1.2
84.04516	3.1
84.08167	0.8
85.02906	2.5
85.04019	1.7
91.03963	1.0
91.05440	0.8
94.06528	1.1
97.02883	1.0
99.05577	0.9
102.05501	0.6
107.06081	1.6
107.50248	0.6
108.04398	0.6
109.07647	0.6
110.07136	1.0
112.02165	1.7
114.10296	1.3
120.08078	2.5
122.09651	1.1
130.04980	2.5
132.08022	4.8
133.08838	0.7
134.09633	3.0
136.09953	1.0
139.03230	1.9
145.06062	2.0
149.10732	100.0
150.11514	8.8
159.02255	1.7
163.12296	2.8
165.22966	0.6
166.06842	2.6
177.03256	2.5
178.06813	0.6
181.06024	1.2
181.07945	0.8
185.03787	21.3
191.15443	1.9
192.13771	1.6
194.57430	0.6
199.07161	0.7
205.17006	2.0
210.36894	0.6
213.03320	0.7
218.15054	0.6
219.18570	2.8
224.11075	1.3
231.04337	38.1
233.20119	1.5
244.17010	5.0
246.18506	1.2
248.11024	1.5
262.18060	4.6
263.21045	1.1
264.19672	0.9
265.13754	0.8
276.10519	1.4
276.14301	1.5
278.15674	1.1
279.20651	2.9
288.06473	14.5
293.16833	4.1
294.15439	0.8
311.17853	1.9
319.18445	0.9
323.14166	0.9
336.21634	10.5
337.32007	0.7
338.23270	0.9
340.15891	1.3
351.22495	1.4
352.23550	20.1
353.24130	3.6
355.25854	3.0
365.24393	1.4
367.20526	0.9
368.18835	1.6
370.20667	0.7
385.21536	40.1
386.21896	1.2
386.42133	0.6
387.23108	1.1
402.22238	0.7
411.23083	1.7
421.22330	0.9
439.23694	0.9
443.18414	1.9
476.25848	0.8
513.27795	3.0
515.29443	0.9
517.30652	1.2
522.26544	1.4
531.28448	43.2
532.28540	2.2
547.26752	2.5
549.28308	1.1
555.28784	1.3
579.28430	1.2
585.29321	1.6
597.29132	1.8
639.30481	1.4
642.31543	7.7
657.31488	1.5
660.32672	16.1
661.32336	1.2
675.32343	0.9
693.33539	14.9
694.33771	0.9
747.35004	0.8
804.37402	4.0
822.37830	11.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	822.3787
Annotation	Unknow
Peak:m/z	Relative Intensity
57.15257	0.5
61.02916	1.5
70.06582	4.3
71.12590	1.5
71.12936	0.7
71.56123	0.7
72.08152	12.3
73.02914	0.7
74.00673	0.9
76.03984	1.4
80.04998	2.1
83.06117	1.2
84.04516	3.1
84.08167	0.8
85.02906	2.5
85.04019	1.7
91.03963	1.0
91.05440	0.8
94.06528	1.1
97.02883	1.0
99.05577	0.9
102.05501	0.6
107.06081	1.6
107.50248	0.6
108.04398	0.6
109.07647	0.6
110.07136	1.0
112.02165	1.7
114.10296	1.3
120.08078	2.5
122.09651	1.1
130.04980	2.5
132.08022	4.8
133.08838	0.7
134.09633	3.0
136.09953	1.0
139.03230	1.9
145.06062	2.0
149.10732	100.0
150.11514	8.8
159.02255	1.7
163.12296	2.8
165.22966	0.6
166.06842	2.6
177.03256	2.5
178.06813	0.6
181.06024	1.2
181.07945	0.8
185.03787	21.3
191.15443	1.9
192.13771	1.6
194.57430	0.6
199.07161	0.7
205.17006	2.0
210.36894	0.6
213.03320	0.7
218.15054	0.6
219.18570	2.8
224.11075	1.3
231.04337	38.1
233.20119	1.5
244.17010	5.0
246.18506	1.2
248.11024	1.5
262.18060	4.6
263.21045	1.1
264.19672	0.9
265.13754	0.8
276.10519	1.4
276.14301	1.5
278.15674	1.1
279.20651	2.9
288.06473	14.5
293.16833	4.1
294.15439	0.8
311.17853	1.9
319.18445	0.9
323.14166	0.9
336.21634	10.5
337.32007	0.7
338.23270	0.9
340.15891	1.3
351.22495	1.4
352.23550	20.1
353.24130	3.6
355.25854	3.0
365.24393	1.4
367.20526	0.9
368.18835	1.6
370.20667	0.7
385.21536	40.1
386.21896	1.2
386.42133	0.6
387.23108	1.1
402.22238	0.7
411.23083	1.7
421.22330	0.9
439.23694	0.9
443.18414	1.9
476.25848	0.8
513.27795	3.0
515.29443	0.9
517.30652	1.2
522.26544	1.4
531.28448	43.2
532.28540	2.2
547.26752	2.5
549.28308	1.1
555.28784	1.3
579.28430	1.2
585.29321	1.6
597.29132	1.8
639.30481	1.4
642.31543	7.7
657.31488	1.5
660.32672	16.1
661.32336	1.2
675.32343	0.9
693.33539	14.9
694.33771	0.9
747.35004	0.8
804.37402	4.0
822.37830	11.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	822.3684
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07066	7.8
58.06593	5.0
63.94242	1.1
65.03928	8.1
70.06583	24.0
71.08618	1.7
71.74805	1.4
71.75264	1.4
85.10165	2.0
85.97158	1.3
88.07624	31.1
92.72781	1.1
102.09175	22.2
121.02840	2.8
137.38892	1.1
139.03909	4.5
147.04454	2.5
149.02335	100.0
149.03392	6.8
175.03918	3.3
177.05429	2.4
191.07217	1.6
193.04951	52.9
194.35170	1.3
219.06531	1.9
228.23207	85.5
229.23653	2.2
237.07565	11.6
269.04431	1.2
272.25668	1.4
313.07001	2.8
341.06613	3.9
359.07767	1.3
385.09149	7.8
411.10715	1.5
429.11844	3.3
533.11096	1.8
577.13348	8.0
621.16156	18.6
650.34930	1.4
804.35992	3.1
822.36841	72.7
823.37152	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	821.4929
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03424	5.9
57.06789	1.8
57.07071	30.3
67.05504	6.9
69.07066	5.7
71.08629	19.8
71.37000	1.4
80.97372	0.9
81.07041	10.8
83.08617	7.9
85.10168	15.2
95.08599	16.4
97.10166	3.9
98.98457	53.4
99.11733	0.9
107.21879	0.8
109.10151	9.4
111.11755	1.3
117.16955	0.8
118.39010	0.8
123.11691	4.3
137.13211	1.6
140.01097	0.8
155.01027	100.0
156.01425	0.8
162.35448	0.9
173.02115	3.3
184.07391	1.5
196.03795	1.3
224.10847	0.8
239.23672	16.6
313.27341	48.5
314.27808	1.4
393.23947	53.2
394.24298	2.2
458.20929	0.8
500.13684	0.9
802.60760	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	821.4157
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	17.4
57.07040	1.8
59.04980	1.1
61.02919	70.8
65.03925	2.0
67.05497	29.0
69.03421	27.0
69.07060	6.8
70.06582	3.4
71.01338	2.9
71.04983	4.5
71.73178	1.3
72.99150	0.9
73.02519	1.5
73.02909	21.5
75.04440	1.5
79.05489	21.1
81.02934	1.6
81.03402	22.7
81.07047	30.0
83.01322	1.0
83.04973	3.7
83.08623	4.0
85.02895	100.0
85.06492	1.1
87.04449	3.6
88.07619	2.8
91.03360	2.0
91.03945	54.2
91.05463	14.0
93.07034	22.2
95.04926	4.3
95.08591	20.6
97.02882	75.0
97.06507	2.5
97.10146	1.8
99.04443	12.5
101.02367	4.3
102.09129	1.5
103.03930	7.5
105.07018	11.0
107.04947	1.4
107.08576	12.7
109.02867	11.6
109.06504	2.6
109.10139	10.3
111.04420	3.4
113.05979	0.9
115.03906	5.8
117.05513	1.7
117.07005	6.5
119.08553	8.5
121.10123	10.8
123.04379	1.1
123.08067	1.4
123.11687	3.4
125.09650	1.2
127.03904	34.6
129.05464	5.3
129.06990	1.8
131.08530	7.5
133.06487	1.0
133.10114	7.7
135.08020	1.2
135.11687	7.1
137.05952	1.2
137.13237	1.7
143.08505	2.4
145.04947	27.7
145.10104	5.9
147.06439	1.1
147.08038	1.0
147.11685	5.1
149.02336	7.7
149.13243	4.8
155.06969	0.9
155.08528	1.2
157.10139	1.6
159.06512	1.9
159.11674	5.6
161.13277	4.1
163.06017	17.0
163.14774	2.8
169.10162	1.0
171.06483	1.8
171.11697	2.1
173.13248	4.6
175.14763	2.3
178.20401	0.8
181.10207	0.8
183.06485	7.2
183.11540	0.9
185.13248	1.4
187.14838	2.4
193.04930	3.8
197.13173	1.4
199.14789	1.6
201.07576	7.7
201.16327	1.9
219.08607	1.2
228.23199	7.2
237.07489	1.0
243.21045	5.7
259.20612	2.5
261.22110	14.1
277.21643	0.8
301.21695	1.1
303.23193	1.4
315.23206	1.8
317.24713	1.6
327.23291	1.6
333.24295	1.2
335.25781	46.1
336.26242	2.3
341.24680	2.5
345.24057	1.9
351.23315	2.5
353.26819	1.3
363.25333	2.4
369.24268	3.7
377.26785	3.0
382.45935	0.8
405.26520	1.1
419.27774	1.2
443.27872	5.0
461.29059	4.1
479.30176	9.0
497.31024	3.0
566.25311	1.0
621.15613	1.2
738.68005	0.9
822.36499	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	820.5983
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07073	65.4
57.40585	0.5
59.04716	1.0
59.04998	13.0
60.58286	0.6
62.68428	0.5
67.05500	1.2
69.03421	0.6
69.07065	2.5
70.06583	0.7
70.23143	0.4
70.32767	2.4
71.04990	0.7
71.08627	47.8
71.90710	0.6
71.91074	0.5
73.02908	2.3
73.06556	6.0
79.05493	0.7
81.07054	1.5
83.08591	1.3
85.10176	38.5
85.83099	0.6
87.04463	20.3
87.08163	0.6
89.06026	100.0
91.05476	1.5
91.07599	1.2
93.07044	1.0
95.04979	1.0
95.08589	1.1
97.10155	1.5
99.11720	5.8
103.07587	6.8
105.07017	1.2
107.07068	4.3
113.06011	1.2
113.13263	1.6
115.07567	0.7
117.09121	5.9
119.08539	1.1
130.08632	5.2
131.07027	6.5
131.08514	0.7
133.08598	77.5
134.08919	0.6
135.10159	0.6
137.09666	0.6
155.17960	3.7
155.37022	0.5
161.11713	1.2
175.09659	5.2
177.11214	27.6
195.12346	0.6
207.81482	0.5
213.22160	4.0
219.12317	1.8
221.13841	5.5
223.15436	0.7
239.14905	1.6
257.24789	3.3
283.17499	2.6
289.67221	0.6
291.19464	0.9
309.19016	0.8
311.20682	0.6
317.93353	0.6
327.19995	1.8
347.21826	0.6
353.21820	0.8
371.22675	0.7
459.70251	0.5
491.45651	0.5
547.33356	0.7
591.35773	3.5
631.37976	0.6
796.97913	0.6
820.60419	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	820.5981
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07069	95.1
59.04995	28.9
59.05301	1.4
60.79600	0.6
67.05474	1.0
69.07059	2.7
71.08622	100.0
71.76009	1.2
73.02943	1.0
73.06548	4.2
81.07048	0.8
83.08612	1.8
85.10173	85.0
87.04462	16.8
89.06020	91.4
91.07585	1.0
97.10151	1.6
99.11716	9.7
101.09662	1.0
103.07549	1.7
107.07072	4.3
117.09138	6.1
129.09146	0.7
129.52890	0.7
130.08621	4.1
131.07016	5.3
133.08589	68.0
135.10110	0.9
141.16376	8.7
151.09543	0.9
161.11696	1.0
173.11714	0.7
175.09686	4.0
177.11209	24.5
193.22739	0.6
199.20564	18.1
219.12202	1.4
221.13892	3.8
240.23102	1.6
257.24747	7.8
265.16440	1.2
283.17438	2.3
305.23889	0.8
435.89200	0.9
547.33118	5.4
606.98163	0.8
681.11334	0.9
820.58063	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	818.416
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03423	3.1
59.04964	1.1
61.02910	4.2
67.05146	1.1
67.05499	20.0
69.03407	2.3
69.07064	4.5
69.70776	7.4
70.06580	2.8
71.04978	1.4
72.08145	1.0
73.02896	2.0
79.05486	18.5
81.03388	3.1
81.06558	0.9
81.07047	17.5
81.91992	0.8
83.04961	2.9
83.08615	10.7
84.08101	1.0
85.02886	4.1
85.06496	1.8
86.09672	1.1
91.03937	3.7
91.05467	16.7
93.07035	11.1
95.04946	2.1
95.08600	5.8
97.02876	3.0
97.10159	21.9
103.05452	7.5
105.07019	14.8
107.04954	2.2
107.08581	12.1
109.06502	1.9
109.10128	5.1
111.08054	2.4
115.05419	4.8
117.07011	27.1
119.08575	7.0
121.06509	2.4
121.10110	3.3
123.08067	1.3
125.09619	17.3
127.03893	1.3
128.06212	2.7
129.06992	10.2
131.04915	1.8
131.08559	17.0
133.06483	4.3
133.10075	2.2
135.08037	3.6
141.06984	6.2
143.04945	1.0
143.08562	6.8
145.05003	1.1
145.06441	4.9
145.10107	8.0
147.07997	2.7
149.09642	2.4
153.09105	1.4
155.08549	6.7
156.09291	1.3
157.06468	2.3
157.10114	2.9
159.08020	3.7
159.11656	1.8
163.11191	1.0
165.06982	1.5
167.08546	3.2
169.10068	6.2
171.08034	1.8
171.10240	1.3
171.11693	3.6
173.09749	1.0
173.13225	1.4
181.10101	3.1
185.09613	1.1
185.13185	1.4
185.77081	0.9
187.11203	1.4
187.14810	5.9
189.11198	8.9
195.11693	2.5
197.13234	7.3
199.11179	1.2
199.14746	1.0
201.01540	1.0
207.11652	1.6
208.85692	1.0
209.13278	0.9
212.11865	0.9
213.12825	1.5
215.14288	23.4
221.13071	1.0
223.11232	1.3
225.12660	0.9
227.12738	14.1
233.15359	1.3
237.12697	1.4
241.12140	1.4
245.13902	0.9
251.14307	1.7
255.13812	1.0
259.13144	1.1
269.15076	1.0
271.16864	1.8
294.57944	0.9
299.05338	1.2
311.05380	1.4
312.05716	1.3
323.05460	1.4
324.05927	1.3
337.07086	1.0
339.22870	1.2
349.21613	5.1
367.22620	9.6
385.23734	5.6
403.24792	2.5
441.26364	44.8
442.26773	1.0
459.27393	100.0
460.27798	1.9
471.68750	0.9
477.28378	11.4
588.25970	1.7
606.27484	1.0
650.29749	1.1
680.31140	1.4
704.31378	1.2
722.32849	1.6
782.33563	1.2
816.84473	1.1
818.45691	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	815.3126
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05499	2.2
69.07072	1.2
70.06593	1.4
79.05481	3.7
81.07036	2.7
86.09682	2.0
91.05481	3.0
93.07017	2.1
95.08619	1.6
105.07004	1.2
107.08617	1.3
110.68783	1.1
119.08527	1.7
119.92464	1.0
120.04449	2.2
120.08084	4.5
122.09651	2.3
133.10086	1.6
146.05981	2.4
148.07535	1.9
150.09149	1.6
172.03911	2.8
178.08640	4.2
184.07330	4.2
204.06560	6.0
211.08607	2.2
225.10143	3.2
225.13805	1.9
227.11714	5.0
235.08670	1.2
237.10194	1.8
239.11818	1.9
249.10139	3.3
251.08063	2.3
251.11742	1.9
261.10089	1.3
262.11087	1.2
263.08337	1.6
263.11859	1.5
264.09052	1.4
277.09665	2.0
279.11188	1.8
309.12366	1.5
314.12723	2.2
328.14383	2.3
329.15408	1.8
330.12109	1.4
330.15857	1.8
337.11569	1.7
340.14288	3.0
342.12231	5.5
342.15955	2.3
343.13257	1.9
344.13956	2.7
354.12341	2.4
355.12912	2.7
356.13931	5.8
356.17694	2.0
357.14508	3.3
358.15451	4.8
368.14117	1.9
370.15463	5.2
371.16309	1.3
383.16452	1.4
384.12967	2.5
384.17261	2.9
410.14932	1.5
412.16534	1.5
426.17719	2.9
430.17789	1.6
432.19266	1.9
437.19427	1.8
442.17545	3.0
444.19183	12.9
449.19446	2.3
460.18671	2.1
465.22690	3.4
466.23694	2.6
470.17004	2.3
472.18347	1.5
477.18900	2.2
492.21475	3.2
504.21094	3.0
533.24756	1.4
551.26532	10.7
579.25952	9.7
580.26434	4.0
607.25458	28.2
608.26111	8.4
611.28564	24.7
612.28198	2.2
625.26764	1.8
639.28088	100.0
640.28815	17.2
722.42743	1.3
774.55322	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	815.2754
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	1.8
65.03941	5.7
65.83212	0.9
66.04697	0.9
68.99772	1.3
69.03426	8.6
70.06576	7.0
71.74892	1.5
72.08138	2.9
78.04710	3.6
79.05477	6.6
81.03419	8.2
82.04191	1.7
84.08138	2.9
85.02899	12.3
85.15312	0.9
86.09704	2.6
87.00837	5.0
91.05478	8.9
91.48244	0.9
92.06254	0.8
93.03410	1.0
94.04148	0.9
95.04980	2.3
97.02884	5.6
99.04453	2.3
103.05451	5.8
105.01859	3.8
105.07014	10.6
106.04165	2.3
107.04945	9.7
109.02860	6.4
109.06485	1.1
110.03648	4.3
111.04439	7.0
115.05455	5.4
117.07035	1.4
118.04176	2.4
119.04939	7.0
119.08582	3.1
120.08105	1.1
121.06482	2.1
122.03629	1.8
123.04446	5.9
124.05199	3.1
125.05980	7.9
127.03898	8.9
128.06183	4.6
129.01773	1.2
129.07051	6.2
129.10236	1.4
130.04144	1.7
131.04912	10.2
131.08603	0.9
132.05685	3.6
133.02849	4.1
133.06470	7.2
134.03685	1.3
134.99670	1.2
136.05119	1.3
137.05960	21.3
138.03137	1.3
141.07043	2.0
143.04929	1.5
144.05714	1.9
145.04901	1.8
145.06506	3.1
146.76099	1.2
147.04382	7.8
147.08063	4.5
149.05991	2.6
151.03972	1.5
151.07547	3.7
152.04662	2.7
153.05449	24.4
155.04913	1.5
156.05637	1.4
159.02870	2.8
159.08061	8.0
160.05190	3.8
161.05940	12.2
163.07555	2.6
165.05571	1.3
167.07027	95.6
169.06503	3.8
171.08067	1.7
172.05209	3.1
173.06023	1.0
175.07524	44.6
176.04636	2.2
177.05421	2.1
177.06870	1.2
178.07726	2.0
179.07040	8.0
181.04977	1.8
181.06485	1.2
183.06538	1.3
184.05188	2.3
185.06012	1.5
186.06749	3.3
187.07545	14.6
189.05473	5.2
189.07028	3.1
190.07805	3.9
191.07024	15.5
191.08568	4.1
192.07593	1.1
193.08594	14.6
193.10178	1.4
197.05954	1.8
199.07523	15.5
201.09074	5.5
202.07756	5.5
203.06955	1.3
203.08609	6.8
204.09410	1.6
205.06487	3.8
205.10205	1.2
206.07220	2.6
207.06427	1.2
207.08153	2.0
209.07942	1.2
215.06870	1.5
215.08723	2.1
216.07732	1.3
217.06421	1.3
218.07210	6.2
219.08046	11.5
220.08832	5.3
221.06090	2.3
221.09561	2.7
222.06693	1.6
223.07419	1.6
223.11311	1.1
229.08592	2.6
230.07338	1.8
231.08006	10.1
232.08823	3.7
233.05962	4.5
233.09612	7.3
234.06746	3.1
235.07570	5.5
236.08315	3.7
237.09064	2.9
245.05928	1.3
245.09497	1.4
246.06761	4.6
247.07513	10.2
248.08257	9.3
249.09103	6.9
250.06306	1.9
250.09789	2.4
251.06956	2.2
251.10611	9.3
258.06699	1.9
259.07547	5.4
260.08276	4.3
261.05475	4.1
261.09012	8.3
262.06219	2.9
262.09854	3.4
263.07071	3.4
263.10632	5.4
264.07736	7.1
265.08554	13.0
266.09296	1.8
267.10303	1.2
273.09109	3.2
274.06262	2.4
275.07025	4.5
276.07806	12.7
277.08563	9.5
278.06387	1.2
278.09195	4.6
279.07065	1.6
279.10083	7.3
280.10934	1.6
281.08252	2.3
281.11804	2.9
283.09729	1.3
287.06927	1.5
288.07813	3.6
289.05658	1.6
289.08539	8.4
290.09317	4.9
291.06821	1.9
291.10062	12.7
292.07700	1.8
292.11005	3.1
293.08072	8.7
293.11694	3.5
294.08823	1.9
295.09772	2.3
295.13040	1.4
301.08618	2.5
303.10211	1.0
304.07446	4.8
304.10379	1.3
305.08066	6.1
305.11554	1.8
306.08823	4.1
307.09570	13.3
308.10373	9.5
309.11172	6.1
311.12735	10.4
319.09634	32.6
320.10339	6.0
321.07669	1.7
321.11124	12.4
322.11624	1.4
323.09201	1.7
323.12723	14.1
324.09674	1.4
325.14166	1.7
326.11597	1.6
333.11227	1.2
336.09848	2.6
336.13406	1.6
337.10770	3.8
337.14450	1.7
338.11307	2.9
339.12247	51.5
340.12659	3.0
341.13693	10.6
351.12234	100.0
352.12830	5.8
353.13785	15.3
355.15451	3.2
369.13303	11.7
381.13269	4.4
397.09412	1.5
421.09503	1.7
439.10492	3.1
457.11569	4.0
512.88953	1.0
617.30170	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	815.2747
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03419	1.7
61.02902	1.0
65.03931	4.9
66.04695	0.6
66.22747	0.6
67.05476	1.4
68.99773	1.1
69.03418	7.4
70.06577	2.6
71.04979	1.3
72.08136	1.0
73.02899	1.3
76.12852	0.6
78.04713	3.1
79.05479	4.9
81.03414	7.8
81.07047	1.1
82.04191	1.5
84.04480	0.7
84.08111	1.1
85.02894	11.6
87.00815	5.5
87.04490	0.7
91.05470	9.7
93.03378	1.0
95.01299	0.8
95.04943	2.6
97.02875	5.6
98.20645	1.5
99.04443	1.9
99.35247	0.6
103.05476	3.6
104.06245	0.9
105.01845	2.4
105.03362	0.9
105.07021	6.5
106.04138	1.1
107.04937	9.1
108.02067	0.8
109.02847	7.3
109.06532	0.7
110.03655	4.4
111.03832	0.7
111.04443	6.4
115.05425	5.7
117.01817	0.9
117.06991	1.8
118.04119	2.3
119.04910	7.2
119.08545	2.6
121.06503	1.9
122.03643	1.1
123.04407	4.3
124.05191	2.9
125.05979	8.1
127.03909	9.2
128.06190	3.2
129.01868	0.9
129.06995	4.8
130.04135	1.4
131.04929	6.5
131.08569	0.9
132.05678	3.6
133.02827	2.9
133.06473	6.3
134.03625	1.1
136.05170	1.0
137.05948	11.5
141.07011	1.7
143.04890	1.4
144.05670	1.5
145.04939	2.5
145.06425	1.8
147.04372	9.0
147.08022	4.5
148.05220	0.7
149.05934	3.2
151.03882	2.5
151.07526	2.8
152.04659	1.7
153.05441	24.8
155.04886	1.2
156.05685	1.0
157.06458	1.3
159.02872	3.1
159.04315	1.0
159.08022	6.7
160.05164	2.2
161.05960	8.0
162.06772	0.7
163.07529	2.7
165.05569	1.2
165.07002	1.7
165.14262	0.7
167.07021	80.5
168.05754	0.8
168.07419	1.3
169.06479	2.9
171.04445	0.9
171.08046	1.8
172.05197	1.4
173.05928	1.8
175.07526	34.9
176.04660	2.4
177.05449	1.4
178.07680	1.6
179.07014	8.3
179.08504	0.9
181.04982	1.2
183.06538	1.5
184.05182	1.7
185.05914	1.7
186.06773	1.9
187.07501	11.9
189.03955	0.7
189.05429	2.7
189.06993	2.0
189.09009	1.2
190.07744	2.0
191.06992	16.4
191.08556	2.6
192.09294	0.9
193.06644	1.0
193.08574	9.4
194.07321	0.8
195.08040	1.0
198.06818	0.9
199.07509	11.0
201.09119	4.6
202.07715	4.3
203.06914	1.1
203.08525	5.8
204.09288	1.0
205.06487	2.9
205.08339	0.9
205.10191	0.8
206.07318	1.7
207.06451	1.4
207.08083	2.0
208.08826	1.2
213.03941	0.7
214.06317	1.2
215.06900	1.7
215.08572	2.4
216.07693	1.4
217.06531	1.7
218.07225	6.4
219.08025	8.6
220.08748	4.7
221.05951	1.6
221.09598	2.0
223.07381	0.8
229.06480	1.3
229.08536	2.5
230.07315	1.7
231.04852	0.9
231.08067	5.3
232.08784	3.8
233.05971	2.9
233.09595	6.1
234.06725	2.5
234.10371	1.5
235.07452	6.0
236.08295	3.3
237.09099	1.9
243.08032	0.9
244.08693	1.0
245.05984	1.2
245.09694	1.5
246.06700	3.8
247.07520	7.9
248.08333	7.9
249.05405	1.0
249.09050	6.3
250.06325	1.6
250.09769	2.4
251.06926	1.4
251.10632	4.9
253.08691	1.6
257.05856	0.7
258.06744	1.6
259.07523	4.7
260.08286	4.2
261.05612	3.6
261.09070	6.5
262.06183	1.7
262.09805	2.4
263.07144	4.4
263.10458	4.7
264.07816	5.4
264.10361	0.8
265.08554	11.1
266.09387	1.3
271.07349	0.8
273.05365	0.9
273.09073	4.0
274.06189	2.5
274.09286	0.9
275.07043	4.4
275.09848	1.1
276.07779	11.6
277.08548	9.1
278.06534	0.8
278.09293	4.9
279.07083	1.1
279.10077	5.8
280.07425	0.9
280.10773	1.6
281.08151	1.5
281.11624	1.9
287.07062	1.2
288.07813	2.6
289.08463	6.8
290.09290	5.5
291.06729	1.0
291.10062	9.0
292.07245	2.0
292.10831	1.9
293.08054	8.4
293.11691	2.5
294.08768	1.3
295.09625	1.4
295.13101	0.8
301.08563	2.8
302.38406	0.8
303.09995	1.7
304.07367	3.7
305.08124	5.7
305.11557	1.2
306.08810	4.0
307.09610	12.6
307.12976	1.2
308.10379	9.5
309.07846	0.7
309.11078	3.6
311.12744	10.6
318.08966	1.0
319.09607	29.5
320.10349	7.7
321.07556	1.6
321.11124	11.7
322.11841	1.7
323.09088	1.7
323.12665	11.6
324.09888	0.8
324.13202	1.2
325.14343	2.0
333.11142	1.0
335.09131	1.0
335.13019	0.8
336.09775	2.1
336.13586	1.6
337.10480	1.8
337.14273	1.2
338.11392	2.4
339.12241	55.9
340.12692	1.4
341.13766	8.7
347.12848	0.8
351.12234	100.0
352.12723	5.8
353.13730	11.3
354.14108	0.8
355.15344	1.0
369.13315	9.3
370.14005	0.7
381.13245	4.6
406.61395	0.8
499.17096	0.7
540.21851	0.7
776.76508	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	813.4901
Annotation	Glabrin C
Peak:m/z	Relative Intensity
60.69641	3.2
77.41125	3.4
86.64008	3.6
116.46829	4.2
310.59314	4.0
342.06580	3.6
670.30292	4.0
813.49030	100.0
814.48425	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	815.2644
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	15.5
58.99582	1.7
61.02904	4.0
63.88669	1.3
68.05018	1.5
69.03430	7.4
70.06578	3.4
71.01362	2.0
71.18833	3.4
71.23292	1.6
72.08133	2.8
73.02908	28.9
73.04018	7.7
74.56696	1.4
76.04008	5.5
79.05477	7.2
80.05016	4.4
81.03405	20.7
84.04497	58.6
84.08121	1.7
85.02887	15.7
86.06014	2.1
86.99072	1.4
89.03950	1.7
91.05476	2.7
97.02886	9.1
105.03384	4.9
106.06541	13.8
107.04958	9.2
110.06049	2.0
112.03976	4.0
113.00580	2.6
114.03799	2.1
115.03931	3.5
116.01672	16.7
116.04953	26.2
116.05608	1.8
118.06521	2.6
123.10746	1.6
127.03949	1.5
129.06726	1.8
129.19470	1.6
130.04982	23.5
130.06488	2.0
132.04509	1.8
133.07610	6.6
134.05997	31.3
136.03929	4.2
138.03726	1.5
139.02119	24.1
140.01657	4.0
142.03223	19.5
144.01128	9.6
144.08084	5.7
145.06429	1.7
149.07138	4.9
151.08667	9.2
155.04529	1.5
155.08078	2.5
156.04756	15.7
156.08130	5.3
157.06125	3.4
157.07594	3.4
158.06003	2.4
162.02194	22.3
167.01625	6.3
167.13525	1.6
168.49216	1.7
170.02716	7.4
171.09158	15.8
172.07573	2.2
181.06093	2.7
185.07089	3.1
194.06386	3.5
199.05466	2.9
199.08597	19.8
199.10265	1.6
200.07048	7.1
202.08607	2.1
207.07710	2.1
211.07220	7.5
217.09760	4.5
218.08157	7.0
222.05811	65.6
227.08128	7.8
242.04781	12.4
245.06046	6.9
245.09279	27.8
246.07513	2.6
250.05334	21.0
255.96400	1.9
257.07742	2.3
259.07379	8.3
263.10248	32.7
267.07721	3.6
295.07413	3.0
313.08545	2.2
325.08316	12.2
425.15695	6.8
428.15280	1.6
521.16937	50.0
557.19855	4.1
683.22150	80.7
684.22705	3.7
815.26385	100.0
816.26227	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	810.5353
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05499	17.4
69.03400	7.4
69.07054	8.0
79.05460	10.7
81.03391	9.2
81.07047	25.8
85.02914	4.1
88.05691	3.0
91.05470	12.4
93.07008	14.2
95.04951	4.4
95.08585	23.0
97.02881	6.4
97.10165	5.5
105.07020	14.0
107.08556	12.2
109.10141	19.8
117.06990	6.3
119.08558	14.3
121.06481	4.4
121.10137	5.3
123.11683	4.7
124.60168	3.2
126.98149	3.2
127.03880	5.8
129.06984	5.0
131.08534	14.2
133.10078	8.3
135.11700	4.0
137.09587	11.4
141.06895	3.7
143.08533	7.8
145.10124	9.9
147.11679	8.6
149.13206	3.7
155.08557	9.7
157.10104	10.2
157.73424	3.2
159.11707	14.2
161.13222	7.2
169.10100	6.6
171.11694	11.2
173.09570	4.2
173.13226	7.7
181.10143	5.9
183.11682	6.3
184.07520	3.0
185.13243	8.1
187.11130	5.8
187.14693	3.0
195.11667	11.8
197.13275	7.3
199.11253	3.9
199.14833	4.6
205.12108	3.4
209.13222	8.6
211.06755	3.1
211.14777	14.8
213.16260	6.2
223.14809	10.3
225.16417	3.9
227.17897	6.0
231.13797	4.4
239.17899	6.0
241.15871	6.0
241.19475	26.8
251.17932	29.8
253.19608	3.9
257.18970	9.6
259.20581	11.3
269.18958	100.0
271.20132	2.9
275.23459	3.0
279.23151	3.6
287.20050	73.2
297.18362	34.0
305.21152	5.8
315.19531	66.7
333.20572	33.7
353.24658	4.4
371.25787	16.4
389.26929	18.5
407.27866	12.3
547.00018	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	806.5829
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07072	51.9
59.04998	13.0
65.20821	0.6
67.05515	0.7
69.07063	1.7
71.04945	0.7
71.08626	44.9
71.28355	1.1
73.02925	1.4
73.06553	5.2
81.07059	1.1
83.08609	2.2
85.10178	42.8
87.04464	20.7
87.04996	1.1
89.06025	100.0
91.05479	1.0
91.07561	0.6
95.04943	0.7
97.10171	0.6
99.11739	4.3
103.07576	7.2
107.07055	3.5
113.05976	1.1
117.09117	5.6
130.08626	4.2
131.07033	6.8
131.10651	0.6
133.08595	74.1
135.10191	0.7
140.69580	0.5
141.16417	3.7
159.08263	0.5
161.11757	1.7
175.09671	5.2
177.11208	25.5
179.12775	0.9
184.11766	0.5
199.20595	4.4
211.31268	0.5
219.12268	1.7
221.13831	6.1
239.14883	1.7
243.23204	4.6
265.16666	1.1
266.49048	0.5
283.17490	1.9
301.43021	0.6
309.19061	0.7
327.20081	1.2
353.21860	0.8
490.16800	0.6
504.60226	0.6
575.68823	0.5
591.35547	2.8
630.62061	0.6
806.57990	0.9
807.44910	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	806.4736
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05835	1.2
57.03426	3.2
57.07067	22.0
59.04993	13.9
61.02926	2.5
61.31343	1.3
63.66520	1.1
64.19485	1.1
67.05498	9.9
68.99783	1.6
69.03427	11.4
69.07058	100.0
70.06588	7.5
71.04982	6.3
71.08614	2.7
71.23776	1.1
71.75007	2.2
71.75385	1.5
72.08142	1.3
73.02899	1.9
73.06546	2.3
79.05487	3.9
81.03397	15.1
81.07045	17.1
83.04988	2.8
83.08606	98.3
84.04507	1.2
84.08145	1.6
85.02894	22.7
85.06551	1.6
87.00809	8.2
87.04453	9.7
89.06017	94.0
89.90730	1.0
91.05464	3.3
93.07024	5.2
95.04966	3.1
95.08593	14.3
97.02882	9.1
97.06533	1.8
97.10157	19.6
98.10497	1.0
99.04414	5.7
99.08086	4.3
100.62774	1.1
103.05396	1.6
103.07567	2.9
105.01866	5.5
105.06991	2.1
107.08582	2.9
109.02872	8.1
109.10138	7.8
110.07143	1.5
111.04421	1.7
117.09143	3.2
119.08574	2.0
121.06438	1.1
121.10145	1.7
123.11680	5.9
125.06036	1.5
125.13248	15.4
127.03912	14.4
130.08647	2.8
131.07042	4.2
133.08589	75.1
135.08017	2.0
135.11736	1.2
136.07608	1.9
137.05959	2.3
137.13234	1.9
139.14787	2.2
143.14317	2.7
145.04922	4.5
145.06363	1.6
145.10098	2.0
147.10194	3.1
151.03955	1.5
157.10101	1.2
157.15866	1.7
159.02863	2.9
162.61514	1.2
165.16409	2.5
167.06992	6.3
173.05774	1.2
175.09695	4.0
175.13315	1.4
177.11201	34.1
177.12752	1.8
179.17915	1.6
181.04831	1.9
183.17455	3.2
195.12149	1.2
201.18466	10.8
217.08705	1.3
219.12306	1.6
221.13817	8.1
223.15092	1.1
239.14877	5.7
241.21515	5.6
254.14230	1.5
257.02499	1.3
265.16483	2.8
283.17496	24.2
285.24118	1.6
289.09256	2.5
309.18845	2.6
323.20547	2.8
327.20078	30.3
341.21677	9.0
349.08774	1.2
367.23141	6.5
381.24789	1.9
385.24268	3.2
507.30573	1.2
523.38391	28.9
524.38385	2.4
535.19012	1.4
541.39117	3.4
740.49176	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	804.6033
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03427	1.7
57.07070	100.0
59.04996	29.0
59.05297	1.4
59.06116	0.7
60.05625	0.6
61.38616	0.5
66.94003	0.6
67.05491	5.2
67.05727	0.5
69.03448	0.8
69.07056	3.4
69.52498	5.9
71.05013	0.7
71.08627	56.0
73.02910	1.5
73.06559	1.0
75.04493	0.7
79.05472	3.4
81.03398	1.0
81.07047	5.2
83.04970	0.8
83.08640	1.9
84.24918	0.6
85.06586	0.7
85.10175	41.7
86.09701	1.4
87.04472	7.1
89.06026	29.3
91.05476	4.7
91.92171	0.6
93.07024	3.7
95.04974	2.1
95.08624	2.6
97.06533	0.8
97.10191	1.9
99.11731	7.7
101.06067	0.6
101.09726	0.6
105.07008	3.2
107.04990	0.7
107.08588	2.1
109.06522	1.9
109.31560	0.5
112.08774	0.6
113.06009	0.9
113.13293	2.9
117.06985	1.6
117.09135	6.0
119.08613	1.4
121.10172	0.8
125.00026	1.1
129.06981	0.9
130.08670	1.5
131.07082	1.3
131.08577	1.2
133.08589	18.0
133.10144	0.9
135.08028	0.8
145.10152	1.0
155.17947	4.9
155.26120	0.7
159.11699	0.7
175.09734	1.2
177.11209	6.7
184.07439	1.9
185.38728	0.7
213.22090	8.1
221.13931	1.4
254.24867	1.0
271.26270	7.4
275.81992	0.7
283.17551	0.7
285.07916	0.6
291.19748	1.9
335.26071	0.8
459.28207	2.8
517.31976	0.8
625.45245	1.6
768.38849	0.7
804.60754	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	804.4369
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03415	1.6
61.02915	3.4
67.05501	15.2
69.03426	1.5
69.07066	4.9
69.95310	3.5
70.06580	0.7
71.04979	1.3
73.02895	1.6
78.78210	0.6
79.05026	0.8
79.05492	12.6
81.03403	1.5
81.06609	1.1
81.07054	15.1
83.04968	1.4
83.08636	3.6
83.09051	0.8
85.02904	4.0
91.03934	2.7
91.05474	15.1
92.09445	0.7
93.06501	1.1
93.07040	13.2
95.04958	2.7
95.08607	12.5
97.02870	3.0
97.06508	1.2
97.10172	1.2
98.20712	0.8
99.04437	0.8
99.08098	0.9
105.07024	17.3
107.04939	2.0
107.08592	7.8
109.06512	2.5
109.10150	4.3
111.08049	1.0
115.05511	0.9
117.07008	8.5
119.08575	11.3
121.06491	1.9
121.10128	4.3
123.08032	1.9
125.09612	0.8
127.03940	1.3
128.06227	0.8
129.07004	4.9
131.08556	14.4
133.06502	1.2
133.10112	6.9
135.08040	2.6
135.11696	2.4
137.09567	1.1
141.06984	1.7
142.07790	1.0
143.08554	6.9
145.06461	1.4
145.10133	8.3
147.08006	2.0
147.11673	2.7
149.09650	1.8
155.08572	3.2
157.10156	5.5
159.11662	3.7
161.13266	1.4
163.05972	0.8
167.08594	1.1
169.10129	2.5
171.06355	0.7
171.07912	1.0
171.11642	3.4
173.13272	1.7
175.11110	0.9
181.10107	1.6
183.11716	2.9
185.13162	1.6
187.14783	0.9
195.11649	1.5
197.13254	2.0
199.14833	1.6
201.16417	0.8
205.12161	0.9
209.13348	1.5
211.14774	1.3
213.16653	0.9
217.15881	0.8
223.14822	0.9
225.16515	1.0
229.15718	0.9
247.16902	0.9
261.18506	1.1
280.26340	1.4
319.62134	0.7
325.25168	1.4
335.23727	1.1
343.26260	1.5
353.24808	4.3
371.25806	5.1
389.26868	5.6
427.28442	1.2
445.29486	100.0
446.29846	3.3
463.30569	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	802.2912
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03408	4.7
70.06582	7.2
71.76015	1.8
72.08160	2.7
77.18299	1.3
79.05482	5.6
81.03400	4.3
81.07021	1.7
81.85503	1.3
84.04501	1.9
84.08152	2.6
85.02895	6.0
86.09692	3.9
87.00810	3.0
91.05474	13.1
94.04191	2.9
95.04942	2.3
102.05520	1.5
103.05466	4.8
104.06216	2.4
105.01856	1.9
105.07030	14.7
107.04939	4.1
109.02864	4.6
115.05456	7.6
117.07027	3.5
119.04926	2.4
119.08582	10.5
120.08121	2.1
121.06515	4.7
122.03643	5.7
123.08073	1.8
123.35990	1.3
127.03865	3.6
128.06223	3.7
129.06953	7.4
131.04922	5.2
132.05708	7.5
133.06488	11.9
136.05177	1.6
137.05959	80.5
138.06285	1.8
141.07002	2.7
143.04886	2.4
145.04916	1.4
145.06514	3.4
146.03639	2.0
147.08034	12.8
149.05998	3.1
151.03889	3.0
151.07536	6.6
154.06105	1.2
157.06435	2.4
159.02846	2.2
159.08009	2.8
160.05188	6.6
161.05966	13.6
162.06783	2.3
163.07561	9.1
165.07004	2.1
169.06451	4.5
171.08090	2.2
173.05974	1.5
175.07532	100.0
176.07870	2.4
177.09108	11.9
179.08627	1.7
184.05159	1.9
186.06760	1.8
187.07468	11.3
189.09096	5.3
191.08565	5.2
193.06702	2.8
193.08585	29.6
194.07254	5.7
199.07552	15.8
201.09076	9.3
203.08583	2.4
205.06465	3.5
206.07291	1.6
207.08008	3.0
209.09715	1.9
210.06670	2.8
217.08601	1.9
218.07259	1.7
219.07997	4.3
219.10158	5.4
221.06007	5.3
222.06804	4.3
223.07642	2.0
225.09158	3.5
231.08105	3.8
233.05994	2.5
233.09547	1.9
234.06656	1.7
235.07455	2.1
237.09039	7.0
239.07205	1.7
247.07523	4.5
248.08363	3.2
249.05424	1.4
249.09093	2.0
251.10831	6.8
253.08566	4.4
254.09509	1.8
259.07498	4.3
260.08319	1.6
261.09149	2.4
263.07068	2.0
263.10620	2.2
265.08597	19.9
267.10190	4.9
273.09103	1.8
275.10623	2.1
277.08557	5.6
278.09427	2.1
279.10129	6.6
280.10910	1.6
281.08252	1.9
283.09644	3.3
285.11212	17.0
289.08539	2.1
291.07190	1.4
291.09998	7.4
293.08124	3.3
294.09052	1.9
295.09570	1.8
296.10648	1.4
297.11182	21.8
299.12796	2.3
303.10144	2.1
308.10281	2.8
309.11084	7.7
311.12750	27.8
315.12509	2.6
320.09854	1.5
321.11172	6.4
323.12790	14.5
329.66333	1.7
335.12946	6.9
337.14304	2.3
339.12164	1.5
341.13812	6.7
349.14206	4.9
436.12418	1.5
439.15433	1.9
459.17877	2.7
471.17892	13.2
473.19568	44.6
473.26263	2.5
474.19513	3.6
485.19345	2.6
501.19077	3.5
503.20197	2.3
523.24042	1.6
552.75360	1.6
595.92889	1.5
803.28503	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	801.2593
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02920	0.7
65.03931	1.3
67.01873	0.7
67.05468	1.1
68.99784	1.8
69.03425	12.9
70.03515	3.4
70.06578	2.3
71.04980	1.5
79.05488	2.8
81.02459	0.5
81.03419	3.3
81.07023	2.2
83.04948	0.9
85.02895	3.0
86.09676	1.0
91.05470	4.3
92.99738	0.7
93.07022	2.5
95.04957	2.4
95.08591	1.6
97.02878	2.0
98.20634	0.5
99.04467	2.9
103.05450	1.5
105.03383	0.5
105.07021	22.1
107.04916	2.0
107.08598	3.5
109.02895	3.0
109.06526	1.5
109.10142	1.1
111.04437	1.6
115.05459	1.2
117.06990	1.3
119.04991	1.3
119.05897	0.5
119.08549	2.3
121.02864	1.8
121.06451	1.9
121.10124	1.0
127.03915	3.0
128.06195	1.8
129.06946	0.9
131.04907	2.0
131.08534	1.6
133.02859	0.9
133.06476	2.4
133.10112	9.2
135.04410	5.7
135.11682	2.6
136.68976	0.6
137.02330	11.8
137.05927	0.8
140.56483	0.6
141.01810	1.5
141.10159	0.5
143.08528	2.4
145.06482	0.8
145.10112	1.8
146.07172	1.1
147.04430	0.9
147.08061	0.7
149.02353	1.7
151.03957	0.6
151.07518	1.0
159.04405	0.6
159.08014	0.8
161.02309	4.4
161.05957	1.4
161.09602	24.9
163.03888	3.4
163.07578	1.1
163.11115	2.9
165.01819	7.8
165.09052	0.6
167.03371	6.6
167.07053	1.9
171.04428	0.7
171.08006	1.3
173.04480	0.5
174.06731	0.8
175.03903	0.7
177.01836	2.8
179.03342	4.8
179.10631	2.0
181.04962	2.2
181.06419	0.6
183.02863	6.5
183.04276	1.0
189.05463	1.1
189.09090	11.2
191.03331	1.7
192.41937	0.6
195.02870	4.7
199.04012	0.6
201.05490	1.5
203.03357	2.0
207.06554	0.7
207.10147	4.3
217.04955	1.9
221.04448	0.8
227.03329	0.9
229.99597	0.6
243.06496	2.1
245.04453	4.0
255.06488	1.5
258.05307	0.8
263.05560	1.4
271.05960	0.8
272.06738	1.0
277.09000	0.6
282.05060	0.7
283.06009	12.3
286.04651	6.2
287.05450	14.1
289.03445	1.9
295.05981	1.8
297.07581	11.2
299.05478	65.4
300.06232	15.3
301.06973	2.3
305.13620	0.7
308.06708	1.5
309.07477	1.0
310.04645	2.3
311.05469	36.7
312.05594	0.7
313.03357	1.5
313.07056	7.6
315.12204	1.3
323.05460	2.1
323.09137	2.3
323.14835	1.2
324.06149	1.3
325.07022	30.1
326.07520	0.8
327.04929	1.7
327.08591	4.2
329.06534	100.0
330.06982	2.8
333.07791	0.9
333.13168	2.7
335.09195	2.2
337.07071	12.0
338.07544	0.7
339.04999	3.1
341.06589	1.3
341.10339	0.9
351.08591	21.2
351.13425	1.0
351.14627	1.3
352.08853	0.8
353.06534	44.7
354.06711	1.5
355.04294	2.0
355.08203	2.8
361.06949	4.4
369.09616	1.2
379.08102	70.6
380.08502	2.1
397.09146	57.8
398.09354	1.6
415.10153	12.7
415.15500	0.9
415.87885	0.6
433.10995	1.6
477.28455	0.7
559.15009	0.9
637.18744	1.6
639.17255	0.7
649.18713	2.7
651.20428	0.7
653.22156	0.7
661.19177	4.0
675.20898	0.8
679.20038	7.4
685.19672	0.7
697.21338	1.2
703.11060	0.6
703.20276	6.1
719.23041	1.8
721.23480	1.9
729.21783	8.9
739.25018	1.1
747.22668	13.4
748.23114	1.1
765.23816	5.7
773.33838	0.7
783.24396	3.5
801.43909	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	800.2388
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	2.5
61.02920	1.5
68.99791	1.2
69.03422	7.2
69.40654	4.9
70.06599	1.1
71.04969	1.0
73.02918	2.4
79.05472	0.5
81.03408	4.4
83.01343	0.5
85.02385	0.8
85.02898	15.5
86.03225	0.5
87.04482	0.8
91.05460	1.1
93.03377	0.6
95.05002	0.6
97.02881	6.8
99.04469	0.6
103.05417	1.3
105.03400	0.7
107.04935	1.3
109.02869	2.9
115.05468	0.8
115.76119	0.5
117.05734	1.5
117.06971	3.1
117.58791	0.5
118.06533	13.5
121.02818	0.9
127.03901	2.8
129.07022	3.8
130.06516	100.0
131.04959	0.6
131.06862	1.7
132.08086	8.9
135.04404	3.6
137.02325	19.8
137.05983	1.1
143.07278	3.1
144.08075	43.7
144.42972	0.6
145.04935	0.9
145.06485	0.6
145.08372	0.8
147.04373	0.9
154.06494	1.9
156.08067	11.6
158.05971	1.0
160.07576	3.9
161.02318	1.9
161.05887	0.7
163.03888	1.0
165.01810	0.8
167.03395	0.7
167.07120	1.0
168.08058	1.4
172.07564	38.2
173.07942	0.5
174.09140	27.8
175.03868	1.4
177.01794	0.8
177.05385	0.8
179.03397	1.6
181.04892	0.6
183.02881	1.0
187.03970	0.6
189.01816	3.4
189.05453	0.6
190.08615	72.0
191.03333	3.1
191.08917	1.2
195.02895	3.2
196.07613	0.6
201.01810	0.5
201.05400	0.8
203.03397	5.3
207.02814	3.8
209.04427	1.6
217.04901	2.6
218.05931	0.6
219.02832	2.2
220.07643	0.7
221.04437	3.0
229.04874	1.6
231.02821	1.4
232.09695	1.3
241.04967	0.8
243.02913	0.9
255.02878	0.8
257.04373	1.0
262.08527	0.8
269.04434	0.8
272.07037	0.7
273.03885	0.8
275.05569	0.6
283.05920	1.8
284.06845	1.2
285.03836	1.1
286.04669	0.7
286.08417	0.8
287.05331	1.2
288.06503	1.1
295.05838	1.6
296.06882	1.1
297.07492	2.1
299.05453	12.7
300.06259	2.8
300.09900	0.9
302.08252	0.7
304.06088	0.8
304.09473	0.6
307.06067	0.6
308.06458	0.6
309.07462	2.4
310.04681	5.5
310.08112	0.9
311.05469	25.0
311.08926	1.2
312.06039	3.0
313.07013	4.5
314.07919	1.0
318.07690	0.6
321.07602	0.8
323.05493	26.4
323.08972	0.9
324.06229	5.1
325.07034	26.1
326.07516	1.4
328.09567	0.9
329.06564	7.8
335.05484	2.6
335.08865	0.7
336.06363	2.6
337.07040	16.4
338.07703	1.6
339.04996	0.7
339.08649	3.7
341.02600	0.8
341.06534	12.1
341.10626	0.9
342.07010	0.6
349.06992	3.0
350.07593	0.7
350.80649	0.7
351.04755	1.0
351.08582	8.8
352.05646	0.7
352.09442	0.8
353.06537	35.6
354.07007	1.3
355.08133	7.0
359.07571	1.8
361.07108	1.1
363.08511	4.9
365.06476	8.8
365.10309	1.3
366.06967	0.6
367.08185	4.7
368.09003	0.7
371.07626	8.6
375.08487	0.6
377.06555	4.4
379.08112	5.0
381.09512	1.3
383.07596	11.9
384.08154	1.0
385.09204	3.5
389.06314	1.9
391.08032	4.0
393.09473	0.9
395.07547	7.3
396.08215	0.6
397.09158	1.3
401.08783	8.6
403.07999	2.3
407.07581	10.0
409.09262	4.1
411.10880	0.9
413.08484	2.4
419.07565	6.8
421.09198	2.8
422.09625	1.0
425.08688	15.0
426.09137	0.9
431.09760	11.8
433.08920	0.8
434.10269	0.6
437.08606	5.1
438.09534	1.6
439.10464	4.0
440.11063	3.5
443.09656	2.1
449.10617	5.1
450.09363	1.0
451.10068	2.1
452.11243	6.8
454.12741	2.8
455.09631	6.8
457.11404	1.2
464.11145	0.8
467.09772	5.9
469.10928	1.7
470.12350	0.8
473.10794	4.1
478.12720	1.0
482.12009	1.8
484.13361	1.1
485.10742	6.3
487.11972	2.2
488.13806	0.7
492.14420	1.1
494.12146	1.5
500.13388	2.9
503.11801	15.5
504.12469	0.8
506.12009	2.2
508.13855	3.5
518.14197	4.3
524.13263	1.2
533.12738	1.6
536.13263	1.3
538.14404	1.8
542.14172	1.7
545.12573	1.1
548.12762	1.0
550.15021	1.2
554.13782	1.6
563.13470	1.3
566.14264	1.9
568.15381	1.7
572.15363	3.7
584.14960	1.5
587.13892	1.1
602.16528	1.3
611.14038	0.6
617.14783	0.9
620.17255	6.6
629.14862	0.9
647.15680	0.8
680.20148	0.7
743.64020	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	797.5167
Annotation	Unknow
Peak:m/z	Relative Intensity
59.75190	3.3
61.02914	6.1
67.05492	9.8
69.61508	28.7
71.66273	3.0
73.02883	5.4
79.05480	5.0
81.07026	4.3
85.02901	6.9
85.27916	2.9
91.03935	6.4
93.06999	5.9
95.08594	5.8
97.02873	4.4
114.23671	3.7
129.02820	3.7
168.86726	3.1
184.07330	7.0
258.48035	3.7
365.82361	3.3
412.87836	3.5
470.40067	3.4
477.17551	3.6
519.29669	18.1
797.51672	100.0
798.51379	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	798.3326
Annotation	Unknow
Peak:m/z	Relative Intensity
57.59878	1.0
58.10965	0.9
62.00912	0.9
65.03936	17.2
67.05488	2.1
68.82672	1.0
70.06583	6.4
71.74978	1.2
72.08160	1.7
79.05482	1.9
82.04188	3.2
84.08160	1.4
86.09673	2.4
91.05468	5.9
93.03391	4.6
95.01323	1.9
95.04954	4.4
97.06518	1.4
103.05456	4.7
105.06996	3.2
106.04161	1.4
107.04932	3.9
108.02076	1.4
110.03646	17.8
111.04442	31.2
113.04784	1.0
113.33257	0.9
115.05449	2.4
117.07006	1.5
119.04927	4.1
120.08061	1.8
121.02859	15.5
121.06490	2.4
123.04401	2.8
124.05183	1.2
125.05986	22.7
125.06898	1.6
129.06989	1.6
129.10197	1.1
131.04929	10.8
132.05263	1.3
133.02846	4.5
133.06476	3.3
136.07558	1.3
137.05954	13.2
138.03143	2.4
145.06473	2.7
147.04459	6.4
149.05952	4.0
151.03848	2.5
151.07521	4.0
153.05458	100.0
157.06471	1.3
159.08067	5.3
161.05995	6.7
162.06735	2.7
163.03923	1.6
163.07574	5.6
164.07985	1.8
165.06921	1.6
167.07040	22.7
167.08476	1.5
175.07462	6.5
177.05458	3.3
178.07710	1.2
179.07011	4.8
179.08372	1.6
181.04974	2.0
181.06328	1.9
187.07480	4.8
188.08379	1.5
189.05446	1.8
191.06992	2.4
191.08496	2.3
193.08578	1.9
194.07225	1.8
195.07990	3.2
199.07559	2.1
203.07027	2.5
205.06598	1.7
205.08553	1.1
206.07204	1.8
207.08212	1.9
208.08891	1.8
209.08083	3.2
210.06702	1.5
211.07610	2.4
216.07799	3.4
217.08481	1.1
218.07275	2.0
219.08041	5.3
220.08864	3.5
221.06038	1.6
221.09474	1.4
223.07582	3.7
224.08340	2.3
225.09169	2.8
226.06230	2.6
231.08177	1.6
234.06677	1.6
235.07497	4.0
236.08260	4.5
237.09048	3.6
238.06215	1.8
239.07027	5.8
239.10565	2.1
240.07806	1.4
247.07434	3.6
247.09668	14.8
248.08202	1.8
249.09094	2.1
251.07100	2.3
251.10690	4.7
252.08023	1.3
253.08592	11.6
254.09349	3.8
255.09929	1.3
261.09229	1.3
263.06940	1.7
264.07834	4.2
265.08527	3.7
266.09299	1.9
267.10080	2.6
269.11673	6.6
270.08932	1.2
275.06937	1.6
276.07672	2.4
277.08533	2.3
278.09509	1.9
279.10159	3.4
281.07980	3.0
281.11539	1.7
282.08972	5.4
283.09543	3.3
291.06750	1.1
291.10046	2.2
293.08026	2.5
294.08923	3.0
295.09622	2.9
296.10480	1.5
297.11130	9.5
306.08792	1.3
307.09558	6.1
308.10315	2.0
309.11115	5.2
311.09171	1.8
311.12680	2.1
313.10541	1.4
314.11108	1.3
319.09537	1.8
321.11292	2.4
323.08920	1.8
325.10690	58.3
326.11340	4.0
327.12222	6.7
329.13824	2.5
337.10605	4.6
339.12271	29.8
340.12753	2.1
341.13873	11.4
342.10843	1.2
351.12213	4.2
353.13785	2.3
355.11859	6.7
357.13306	81.7
358.13492	3.5
369.13409	7.2
371.14624	1.3
387.14316	4.2
499.17422	1.4
517.18579	1.4
535.19458	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	794.3371
Annotation	Unknow
Peak:m/z	Relative Intensity
56.82173	0.8
57.07066	7.7
57.29995	0.8
58.06593	2.4
65.03922	6.2
69.03439	1.6
70.06583	26.7
70.53333	1.1
70.53676	3.3
71.08612	4.9
71.20704	0.8
74.72152	1.0
86.09716	1.1
88.07619	31.2
95.04933	1.0
98.20760	0.9
100.36390	0.8
102.09175	22.7
103.43700	0.9
107.08633	0.9
121.02869	2.0
133.02847	1.8
139.03918	4.0
147.04422	2.0
149.02333	100.0
149.03386	7.2
155.53889	1.2
156.17462	1.4
175.03917	1.6
177.05536	1.5
180.99477	1.0
189.91364	0.9
191.07010	1.0
193.03171	2.3
193.04956	50.3
200.20079	76.2
201.20605	0.9
219.06647	2.2
219.58478	0.9
237.07573	11.0
244.22775	2.3
309.22147	2.3
341.06592	4.3
359.07709	1.6
385.09088	6.7
429.12100	2.4
433.30991	1.9
451.31882	1.9
511.34134	2.2
518.97852	1.0
533.10895	1.1
577.13403	8.6
621.15955	16.1
776.32806	1.8
794.33728	72.2
795.34039	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	792.5668
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	1.8
55.47654	0.6
57.07067	30.6
59.04993	12.9
63.23995	0.6
67.05505	1.9
69.07062	2.2
70.01244	3.5
70.06593	0.6
70.59058	0.6
71.04980	1.4
71.08624	59.5
72.08932	0.7
73.02901	1.5
73.06553	5.3
79.05473	0.7
81.07058	1.7
83.08597	0.8
85.10172	36.9
87.03947	1.4
87.04460	19.2
89.06020	100.0
91.05456	1.5
91.07582	1.2
93.07038	1.3
95.08598	0.9
97.10155	1.2
103.07571	6.7
107.07073	3.9
109.10143	0.7
112.07610	1.5
113.05984	2.3
115.47411	0.6
117.09133	6.3
127.14820	3.3
130.08611	4.8
131.07024	6.9
133.08592	69.7
135.10100	0.8
138.59999	0.7
159.10205	0.8
161.11714	1.4
175.09639	3.9
177.11205	27.5
179.12904	0.9
185.18951	4.6
200.09625	0.6
219.12212	1.3
221.13799	3.5
229.21616	5.0
239.14922	1.0
265.16513	1.0
283.17419	1.9
309.19135	1.3
327.20221	1.0
505.93478	0.7
534.37036	0.7
591.35876	3.1
792.56622	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	792.5614
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	12.7
57.03427	10.0
57.07077	2.0
61.02927	2.4
65.03928	3.6
67.05501	56.0
69.07061	19.3
70.05237	6.4
70.89064	1.3
79.05486	35.5
81.07050	66.6
83.08608	6.3
85.02884	2.5
85.06515	1.5
90.52753	1.7
91.05468	22.6
93.07031	45.2
95.04963	4.6
95.08597	45.0
97.06462	1.6
97.10145	3.7
99.08090	2.2
105.07030	17.3
107.08584	23.5
109.10152	20.4
117.07035	7.0
117.59256	1.3
119.08576	16.0
121.10136	19.8
123.07986	1.3
123.11692	8.5
129.06947	2.3
131.08562	12.5
133.10124	16.1
135.11688	11.5
137.13216	3.3
143.08546	2.2
145.10132	7.5
147.11673	8.1
149.13217	9.7
159.11696	8.0
161.13258	8.0
163.14870	3.0
171.11694	2.8
173.13243	9.1
175.14853	4.5
185.13283	2.1
187.14868	4.4
189.16460	1.8
190.68036	1.5
199.14792	1.8
236.88472	1.6
241.19583	2.1
243.21127	4.4
259.20691	9.2
261.22128	18.0
263.23618	1.8
271.69244	1.4
308.72794	1.6
317.24716	3.6
333.24161	4.0
335.25775	100.0
336.26309	3.1
337.27176	10.0
463.81332	1.5
521.43286	2.1
540.28925	1.6
595.47504	13.0
601.11053	1.7
613.48596	8.7
807.64526	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	790.5876
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	1.8
57.03439	1.2
57.07071	100.0
59.04996	20.6
67.05502	2.8
69.07067	2.4
69.40304	2.2
69.40722	6.2
71.08625	70.1
72.08965	1.3
73.02909	2.0
73.06554	3.0
79.05492	1.8
81.07053	2.6
83.08625	2.6
83.26217	0.7
84.78207	0.7
85.10174	60.4
87.04459	12.4
89.06023	69.2
90.01924	2.3
91.05474	1.5
93.07047	2.1
95.08597	1.6
97.06541	1.0
97.10188	2.9
98.20670	1.6
99.11724	12.4
99.12337	0.8
101.09621	1.2
103.07584	1.3
105.07049	1.0
107.07073	2.8
107.08646	1.1
109.10178	1.0
111.11774	1.1
113.13277	5.5
117.09109	5.0
119.08565	1.1
121.36935	0.8
130.08672	2.4
131.07037	4.4
133.08591	56.0
135.10127	0.8
155.17946	8.8
175.09727	2.8
177.11217	22.1
184.07373	1.3
190.59918	0.9
213.22147	13.3
219.12326	1.1
221.13843	3.8
227.12939	0.7
239.14966	1.7
239.22166	0.8
249.45393	0.8
254.24896	1.0
265.16391	0.7
271.26306	4.9
275.20160	1.2
283.17664	2.8
327.20291	1.2
335.25888	0.9
336.26120	1.0
364.29626	0.8
371.23212	1.0
503.30270	5.4
510.16913	0.8
543.33911	0.9
734.02039	0.8
759.59546	0.9
790.58453	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	790.5878
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	3.0
57.03440	2.8
57.07070	100.0
59.04997	42.4
67.05492	2.7
68.92834	1.0
69.07067	2.6
71.08624	94.8
71.73038	1.6
71.73449	1.7
73.06571	1.5
81.07050	2.3
83.08616	3.9
85.10174	89.4
85.50905	1.0
86.09681	1.0
86.37943	1.0
87.04459	12.1
89.06023	66.3
91.05444	1.3
93.07047	1.6
96.59486	1.1
97.10170	2.7
99.08091	1.5
99.11723	11.8
99.50841	1.1
101.08952	0.9
101.09641	2.3
103.07580	1.1
105.07064	1.7
107.07066	3.5
117.09109	15.4
130.08656	3.8
131.07045	4.4
133.08594	46.3
141.16374	10.8
158.11694	1.3
175.09622	2.5
177.11211	19.5
181.19206	1.0
184.07362	2.6
199.20541	20.9
199.22348	1.5
221.13852	1.8
240.23117	2.5
257.24768	22.0
266.39621	1.1
289.72360	1.2
371.22745	1.7
459.28162	6.2
468.37875	1.2
494.14105	1.3
496.06952	1.3
517.32507	1.5
790.58124	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	790.4939
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	6.7
55.05508	20.1
57.03438	8.8
57.07059	1.8
61.02901	2.8
65.03931	2.6
67.05500	69.5
69.03421	6.9
69.07059	25.3
70.06597	2.1
71.04987	28.8
71.73003	1.7
71.73376	2.0
79.05490	42.1
81.03411	11.0
81.07052	100.0
82.07397	1.5
82.57912	1.6
83.04946	6.3
83.08617	15.1
85.02885	4.5
85.06548	7.9
86.09687	4.4
91.05475	41.2
91.29265	1.8
93.07044	37.8
95.04964	10.8
95.08591	24.8
97.02876	5.5
97.06508	11.9
97.10158	8.2
97.48392	1.8
99.04460	2.1
99.08085	3.1
105.07019	26.6
107.04934	4.5
107.08584	31.2
109.02863	3.7
109.06504	6.2
109.10165	12.5
111.08079	4.1
117.07011	10.6
118.06538	2.2
119.06924	2.1
119.08570	15.9
120.26623	1.5
121.06489	4.7
121.10150	10.6
123.08029	4.9
123.11691	14.1
125.09602	3.8
127.03889	4.4
128.06241	1.8
129.06984	4.5
131.08527	12.6
133.10123	25.4
135.08023	2.9
135.11676	11.1
136.50478	1.6
143.08528	3.6
145.10114	8.1
147.11685	9.0
149.09601	5.3
149.12143	1.9
149.13187	8.4
151.11168	9.5
155.08557	2.0
157.10139	4.5
159.08043	1.9
159.11649	10.5
161.09641	2.1
161.13280	2.4
163.09818	1.9
163.11168	6.4
165.12726	2.4
169.10092	2.8
169.12299	2.1
171.11774	2.0
173.13304	3.0
177.12677	4.6
179.14363	2.1
183.11757	2.5
183.13857	2.6
184.07323	11.1
187.13271	4.1
187.14909	1.7
195.13857	4.8
225.14862	3.5
227.12743	7.8
231.15698	3.0
239.17937	1.7
243.15930	7.4
247.20593	1.7
255.15851	2.0
257.19049	2.6
267.15768	2.5
269.17432	12.8
275.20050	18.5
292.19061	7.4
293.19528	5.8
301.20096	19.6
313.16547	2.7
349.23788	11.3
413.21582	2.1
423.27325	4.7
437.28983	16.8
449.29044	13.4
451.30542	5.5
463.30551	11.7
481.31876	2.7
495.33115	27.3
499.34232	3.5
517.35126	28.0
531.36798	5.2
543.36841	11.8
561.37439	3.0
575.39429	11.9
581.33508	2.3
586.37408	1.9
790.50122	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	790.4943
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	5.7
55.05507	21.4
56.81123	1.3
57.03431	8.8
57.07069	2.7
59.04998	1.3
61.02929	3.0
65.03933	2.5
66.39255	1.6
67.05498	70.6
69.03412	7.4
69.07061	24.4
69.40650	1.2
69.49364	2.5
69.49767	10.8
70.06603	1.4
71.04984	29.3
79.05488	43.8
81.03416	13.3
81.07050	100.0
82.07375	1.9
83.04964	9.2
83.08616	16.3
85.02887	6.0
85.06519	8.6
91.05470	43.9
92.62463	1.2
93.07032	43.4
95.04970	9.5
95.08594	26.6
97.02880	5.2
97.06521	13.4
97.10157	6.8
99.04461	2.9
99.08089	3.0
103.05430	1.3
105.07019	28.8
107.04967	4.9
107.08580	29.1
109.02855	4.0
109.06499	6.0
109.10143	9.7
110.49097	1.2
111.04465	2.3
111.08083	5.7
113.09636	2.0
117.07024	10.9
119.08566	14.8
121.06523	3.8
121.10143	13.1
122.10423	1.3
123.08038	2.7
123.11715	12.8
125.09616	5.9
125.25795	1.3
127.03921	4.2
129.06995	4.0
131.08571	15.4
133.10117	27.5
135.08002	3.5
135.11647	10.8
137.09579	3.0
143.08548	4.1
144.09224	1.4
145.10104	7.8
147.08058	1.7
147.11691	7.7
149.09619	9.9
149.13228	10.8
151.11169	8.7
155.08527	2.0
157.10104	2.6
159.11691	11.3
161.09552	2.5
161.13283	3.3
163.11186	5.1
169.10159	1.6
169.12274	1.8
171.11707	2.6
173.11694	1.4
173.13246	3.2
177.12698	6.0
179.14371	2.8
181.10011	1.8
183.11852	2.0
183.13660	3.0
184.07373	1.3
185.13127	1.6
187.13257	5.9
187.14722	1.7
189.11217	2.2
195.11917	1.1
195.13805	4.7
197.13338	1.7
201.12799	1.3
213.14723	2.6
225.14871	2.3
226.86885	1.5
227.12788	8.1
229.19554	1.9
230.15453	1.4
239.18005	1.7
243.15874	8.2
255.15924	3.6
257.19199	2.0
267.15948	1.9
269.17453	16.1
275.20026	19.8
285.17075	1.6
291.19711	1.9
292.19092	3.5
294.19781	1.6
297.17551	1.5
297.21149	1.4
301.20047	16.7
313.16428	4.0
331.22623	1.4
339.18033	2.3
349.23727	14.4
365.23441	1.5
367.24759	2.6
397.26279	1.5
423.27475	6.6
427.26987	3.0
437.28934	13.1
445.29587	2.3
449.29013	11.8
451.30649	4.7
455.30115	2.0
463.30466	12.6
481.31424	4.7
495.33115	29.7
499.34082	3.4
517.35260	29.4
531.36621	4.5
543.36786	15.1
561.37848	2.1
575.39508	13.1
607.35046	2.0
790.50232	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	788.494
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01839	0.8
55.05462	2.4
55.05709	0.9
57.03394	1.3
57.63652	0.4
61.02885	1.0
65.03899	0.9
67.05491	4.4
69.03378	2.0
69.07013	1.9
71.06426	0.5
71.06771	1.0
73.02866	1.5
79.05481	2.8
81.03361	1.7
81.07047	5.4
83.08575	1.1
85.02860	1.3
91.03911	0.6
91.05472	5.0
92.04992	6.3
93.05745	1.3
93.07039	3.3
94.06519	0.9
95.04970	0.9
95.08593	2.4
95.55993	0.5
97.02870	1.3
97.06502	0.6
97.10119	0.7
97.34753	0.5
99.13012	0.5
105.06971	2.0
106.06558	2.8
107.04963	0.6
107.08537	1.7
109.02795	0.5
109.10113	1.6
109.20092	0.5
117.05714	1.9
117.06952	0.7
118.06533	22.9
119.07347	2.6
119.08540	1.7
120.08033	2.0
121.08851	0.5
121.10103	0.5
129.06929	0.7
130.06516	2.6
131.07262	0.8
131.08525	1.2
132.08092	2.9
133.08849	0.5
133.10075	1.7
134.09612	1.1
135.11638	0.5
144.08057	0.6
145.10101	0.7
146.09583	1.1
146.46576	0.5
159.11638	0.5
160.11172	0.6
162.09134	23.8
163.09892	5.6
164.10640	1.4
176.10690	1.9
184.07243	0.5
202.15857	5.5
218.15355	1.1
221.67851	0.5
230.15378	39.1
231.15733	0.7
248.16417	2.4
249.49098	0.5
262.17938	2.0
274.18094	1.6
275.20056	1.3
292.19040	83.5
293.19034	1.1
293.21555	0.5
304.19058	1.7
322.20096	1.1
322.37534	0.5
322.42413	0.5
332.22113	1.6
348.21689	2.8
366.22763	2.4
376.73160	0.5
510.26898	8.1
541.35193	1.6
626.44421	4.8
788.49365	100.0
789.49872	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	787.4978
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	4.1
55.05505	41.1
57.03428	13.5
57.07057	4.2
59.04998	2.7
61.02914	5.7
65.03938	4.1
67.05498	66.0
69.03412	6.3
69.07059	23.4
70.82034	6.0
70.82379	3.4
71.04974	4.7
71.08618	3.1
73.02910	2.7
76.51024	2.4
79.05486	68.8
81.03417	5.7
81.07047	69.2
82.13194	2.2
83.04977	5.9
83.08609	10.9
83.63885	2.3
85.02897	6.4
85.06548	3.3
91.05471	67.2
92.05762	2.8
93.06447	3.4
93.07030	65.8
95.04964	11.2
95.08592	49.2
97.02888	6.8
97.06508	6.6
97.10159	5.6
103.05396	2.4
105.07020	57.4
107.04920	5.5
107.08588	31.1
109.06499	9.0
109.10139	20.4
111.08089	6.5
115.05421	8.0
116.06242	6.5
117.07005	38.8
119.08579	36.5
121.06493	8.0
121.10140	23.6
123.08051	6.6
123.11694	5.8
125.09625	3.7
128.06200	16.9
129.06996	25.7
130.07776	6.8
131.08542	60.3
133.06479	9.4
133.10103	20.5
135.08028	5.2
135.11667	13.5
137.09610	3.4
139.11198	2.6
141.07019	11.5
142.07700	3.4
143.08542	52.7
144.09285	3.9
145.06505	5.4
145.10107	63.7
147.08040	8.2
147.11681	9.3
149.09615	6.3
149.13269	6.0
151.11108	2.6
155.08563	9.1
157.10118	23.9
159.08044	3.5
159.11679	13.7
161.09618	10.1
161.13271	6.8
163.11156	3.9
163.14783	3.5
164.58200	2.8
165.12743	2.9
167.08543	3.4
169.10120	14.1
171.11632	13.4
173.09656	4.4
173.13237	6.2
175.11201	9.3
177.09120	2.5
177.12733	4.5
181.10136	7.0
183.11681	9.4
185.09631	3.5
185.13167	5.7
187.11237	2.7
195.11697	16.3
201.12752	3.3
209.13219	4.1
213.12740	8.1
225.20959	2.6
227.17990	7.3
237.16408	17.5
245.19008	6.0
255.17421	22.0
261.22055	5.3
264.97498	2.6
269.71573	2.7
273.15662	5.3
273.18472	72.5
291.19550	4.0
329.21097	4.4
335.25723	100.0
336.26102	3.6
347.22189	39.2
561.37671	2.8
607.43536	37.9
625.44501	5.6
665.29700	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.498
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	9.1
55.05505	44.8
57.03424	13.7
57.07067	10.2
59.05000	5.6
61.02918	9.3
65.03933	7.4
67.05501	72.8
69.03426	4.8
69.07071	23.4
71.04971	5.1
71.08623	10.0
73.02924	3.5
79.05483	67.0
81.03400	10.9
81.06603	7.1
81.07052	87.0
83.04968	7.0
83.08624	21.0
85.02894	11.4
85.06521	9.8
85.10173	9.1
89.06007	4.8
91.05473	75.2
93.07034	69.9
95.04965	17.6
95.08601	51.6
97.02899	7.6
97.06533	6.6
97.10152	13.8
98.20714	7.1
103.05454	4.4
105.07018	65.3
107.04993	4.3
107.08574	28.1
109.06503	15.0
109.10156	19.9
111.08092	7.3
113.05996	4.6
115.05459	10.8
117.06990	50.1
117.09145	3.5
119.08571	42.7
121.06438	7.8
121.10124	24.4
123.08073	14.7
123.11649	3.8
125.09607	4.0
126.55909	3.6
127.03986	4.0
128.06236	20.2
129.06993	33.8
130.07858	8.2
131.08566	81.8
133.06480	10.5
133.08582	5.8
133.10101	30.4
135.08064	9.3
135.11696	14.7
141.06982	12.8
142.07747	6.0
143.08554	89.0
145.06528	5.8
145.10103	95.0
147.08058	10.8
147.11636	10.4
149.09634	6.0
149.13228	8.7
155.08533	12.8
157.10159	23.4
159.08125	7.7
159.11639	21.9
161.09622	14.0
161.13408	4.2
163.11160	4.7
164.32332	3.6
167.08624	7.4
169.10114	13.9
171.11688	21.1
172.05014	4.0
175.11247	8.2
181.10066	10.0
182.00699	3.8
183.11697	10.8
185.13326	6.0
187.11079	4.7
194.95317	3.4
195.11584	18.5
211.15010	4.3
213.12628	4.3
213.16322	4.6
227.17917	7.2
229.59480	5.1
237.16405	22.8
255.17398	31.6
261.22098	8.6
273.18457	89.5
291.19437	13.6
329.21140	5.0
335.25775	100.0
347.22150	42.1
432.83493	3.5
529.38263	4.2
607.43518	49.7
625.44196	6.9
787.47229	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	786.4904
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	0.2
55.36653	0.2
56.05019	0.4
58.06605	0.4
60.08155	5.8
67.05489	0.3
69.66333	1.7
70.06551	0.2
71.07359	3.2
75.14404	0.2
81.07069	0.2
86.09695	30.3
87.10071	0.3
89.06021	0.6
98.98450	3.2
104.10738	2.2
124.99984	19.6
131.18297	0.2
133.08562	0.3
137.05946	0.4
143.00977	0.4
184.07318	100.0
185.07704	0.7
227.20044	1.4
243.70802	0.2
274.76385	0.2
614.47437	0.3
768.47223	0.4
786.36005	0.3
786.48877	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	787.4102
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	1.8
55.05507	8.3
55.40297	1.6
57.03421	3.0
61.02921	1.8
65.27395	1.3
67.05496	20.8
69.03422	2.5
69.07060	8.9
70.06580	2.3
71.75130	2.1
79.05489	15.3
81.03419	3.4
81.07047	19.7
83.04995	2.5
83.08596	5.1
85.02899	2.1
86.09735	1.6
91.03966	1.7
91.05473	19.9
93.07039	18.9
95.04965	3.3
95.08597	15.5
97.02911	1.8
97.06533	2.3
97.10171	2.1
105.07013	21.8
107.08585	10.7
109.06547	1.7
109.10114	5.0
111.08037	1.7
117.07024	10.8
119.08572	12.0
121.06472	2.3
121.10128	6.5
123.08044	2.0
129.06987	8.6
131.08548	17.8
133.06442	1.7
133.10123	10.3
135.08017	2.4
135.11690	2.8
140.08153	1.7
141.06932	3.8
143.08510	7.7
145.06499	1.9
145.10104	8.8
147.11691	4.5
149.09514	2.2
155.08536	4.2
157.10126	5.2
159.08005	1.6
159.11687	7.5
161.09358	1.5
161.13248	1.6
167.08591	2.3
169.10094	4.5
171.11662	4.6
173.13307	4.1
181.10149	1.7
183.11739	2.0
185.13161	3.6
187.14719	1.8
195.11597	2.1
197.13242	2.5
209.13196	1.8
223.14799	1.6
247.16747	2.3
275.20148	2.4
325.25247	1.7
335.23257	2.4
343.26193	3.2
353.20825	1.7
353.24664	9.2
371.25763	10.3
389.26828	7.6
412.66080	1.9
445.29483	100.0
446.29761	4.9
463.30368	23.5
710.61047	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.3942
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	2.6
55.05506	11.1
57.03431	6.5
59.04982	1.2
61.02921	24.6
65.03920	2.1
67.05132	1.5
67.05495	29.5
69.03418	5.4
69.07062	10.2
69.45428	0.5
69.93944	1.7
69.94363	3.5
70.06577	2.4
71.01326	0.7
71.04975	2.8
73.02910	6.7
79.05022	1.0
79.05483	22.6
81.03413	6.3
81.07048	27.4
81.66389	0.7
83.04994	1.7
83.08599	8.3
84.08092	0.8
85.02378	1.4
85.02896	26.1
85.06553	2.1
91.03947	16.4
91.05470	32.9
93.07034	21.0
93.07469	0.5
95.04952	6.2
95.08597	14.8
97.02883	19.7
97.06499	3.5
97.10158	3.1
98.21346	1.1
99.04440	1.6
99.08075	1.2
101.02341	0.8
103.05459	2.3
103.26651	0.6
105.07018	23.3
107.04958	4.2
107.08588	11.2
109.02866	2.9
109.06516	3.6
109.10155	7.7
111.04465	0.8
111.08080	3.2
115.05449	2.5
116.06251	0.7
117.07003	19.5
117.07789	1.3
119.04915	2.3
119.08572	12.5
121.06501	4.7
121.10126	8.3
123.04416	0.9
123.08049	3.5
123.11687	0.9
125.09618	2.3
127.03916	6.8
128.06203	4.3
129.06993	24.7
129.10158	0.7
130.07770	0.8
131.04929	1.3
131.08553	26.3
133.06465	4.0
133.10112	11.2
135.08043	3.4
135.11717	4.2
137.05940	1.1
137.09615	1.9
141.06967	9.0
142.07765	2.6
143.08542	19.3
145.04951	5.7
145.06473	6.3
145.10120	13.2
147.07979	4.5
147.11635	4.4
149.09584	4.1
149.13194	1.1
151.11134	1.3
152.06114	0.6
153.06960	2.1
154.07776	1.7
155.08534	16.8
156.09305	0.8
157.06479	2.7
157.10107	12.2
159.08087	5.0
159.11703	9.8
161.06058	0.7
161.09625	3.5
161.13290	1.0
163.06041	2.4
163.11180	2.8
165.07014	2.5
166.07779	1.1
167.07147	1.4
167.08501	8.7
168.09175	0.7
169.10089	11.0
171.08040	2.2
171.11671	7.6
172.12036	0.6
173.09654	3.6
173.13214	2.5
175.11209	2.2
175.14868	0.9
177.12704	3.3
178.07700	0.8
179.08549	4.9
180.09340	0.6
181.10103	7.8
182.10838	0.8
183.08041	1.9
183.11659	6.6
185.03535	0.7
185.09596	2.9
185.13231	5.7
187.11197	2.6
187.14841	1.7
189.12718	1.9
192.09300	1.2
193.10117	3.8
195.11685	8.1
197.09579	1.8
197.13239	4.2
199.11189	1.6
199.14789	2.3
201.12717	1.9
203.14333	1.5
205.10216	1.4
207.11792	3.9
209.13232	5.8
211.11154	1.7
211.14757	2.7
213.12830	3.7
213.16396	2.2
215.14365	3.7
217.12151	1.1
217.15823	0.7
219.11662	1.4
221.13272	5.9
223.14774	6.3
225.12766	2.5
225.16435	2.6
227.14357	2.2
231.13881	1.2
231.17532	1.6
233.13283	1.6
233.15439	1.4
235.14915	3.7
237.16467	1.6
239.14308	5.5
239.18150	1.2
241.15976	1.5
243.13885	1.1
245.13181	0.9
245.15453	0.9
247.14821	1.2
249.16495	1.3
251.14522	1.2
253.15877	1.5
255.17517	1.5
257.15381	2.4
259.17062	1.7
263.14267	0.8
267.17453	1.1
271.16788	3.7
273.18658	0.8
275.16556	0.9
285.18588	1.1
289.18182	0.8
305.22702	1.3
315.21112	1.4
323.20160	0.9
323.23584	3.7
333.22119	8.5
341.24878	6.6
342.25098	0.8
351.23160	29.9
352.23410	0.9
369.24234	24.1
387.25235	13.8
415.28677	1.2
425.26880	9.8
433.29449	1.6
443.27899	100.0
444.28281	3.0
461.28949	64.3
462.29428	1.7
485.28845	1.7
495.27472	1.4
503.30005	1.9
551.29822	1.4
569.30695	2.3
587.32477	3.3
605.32996	2.6
623.33411	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	780.5526
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05484	0.8
56.05033	0.9
60.08157	7.5
66.40715	0.6
70.10166	1.8
70.10579	2.1
71.07348	3.3
86.09695	32.7
91.18341	0.7
98.98458	4.0
104.10706	3.2
111.23314	0.7
112.88901	0.8
124.99992	22.5
127.24188	0.7
129.41127	0.8
142.11803	0.6
184.07324	100.0
351.85513	0.8
812.98438	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	782.5686
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05029	0.6
58.06623	0.4
59.07373	0.1
60.08157	6.5
67.05487	0.3
70.06574	0.1
71.07365	3.6
71.50179	0.2
71.50534	0.1
81.07046	0.2
86.09696	31.3
87.10032	0.3
95.08588	0.2
98.98455	3.3
104.10728	2.7
116.99466	0.2
124.99989	21.6
126.00349	0.1
133.40204	0.1
143.01041	0.6
166.02698	0.3
184.07324	100.0
185.07664	0.9
275.76825	0.1
335.92740	0.1
408.72009	0.1
442.69058	0.1
520.33783	0.2
599.50165	0.1
782.44153	0.1
782.56873	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.2642
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	3.2
56.05029	1.5
57.03455	1.1
59.37423	1.1
65.03937	1.1
68.99787	2.2
69.03419	8.1
69.74927	8.3
70.06586	7.3
72.08156	1.4
73.02905	2.1
79.05502	2.3
79.22419	1.0
81.03413	12.3
81.07045	1.2
84.08124	1.5
85.02901	15.4
86.04585	1.1
86.09701	3.4
87.00807	5.6
91.05471	13.2
93.07044	1.2
94.04191	3.7
95.04964	2.3
97.02882	5.5
98.21494	1.1
99.04438	2.4
103.05495	5.5
105.01880	3.9
105.07035	7.2
107.04939	7.1
109.02863	8.9
109.06525	3.5
110.65324	1.0
111.04391	1.1
115.05441	7.3
117.01871	1.7
117.07036	2.1
119.04934	9.2
119.08575	4.2
120.08150	1.9
121.06494	2.9
122.03626	8.2
127.03917	9.7
128.06178	6.0
129.01843	1.2
129.07007	5.0
129.10219	1.5
131.04924	11.6
132.05710	4.2
133.02863	4.0
133.06439	6.4
135.04395	2.0
135.08151	1.0
136.07564	1.2
137.05965	100.0
141.06978	4.5
143.04994	1.7
144.05649	1.9
145.04964	3.1
145.06456	2.8
147.04396	11.2
147.08002	7.5
149.05930	6.5
151.03906	2.5
151.07530	2.9
156.05701	2.0
157.06377	1.1
159.02911	2.6
159.04335	1.8
159.08081	7.1
160.05209	5.1
161.05983	21.7
161.09723	1.2
162.06761	1.8
163.07568	5.1
165.05545	1.9
165.07022	2.4
167.07033	2.4
169.06493	4.2
169.81349	1.1
171.04385	1.4
171.08017	2.5
172.05199	2.3
173.05989	2.3
175.07530	67.4
177.05466	2.1
177.09146	3.1
178.07780	2.4
179.07013	5.0
184.05200	4.3
184.07314	1.4
185.06021	3.5
186.06781	3.1
187.07526	29.0
189.05469	2.3
189.07025	3.6
189.09082	2.8
190.07803	4.2
191.06973	2.6
191.08557	5.3
193.06465	1.2
194.07216	2.4
198.06686	1.4
199.07532	32.9
200.08171	1.1
201.09061	6.1
202.07790	8.2
203.06889	1.5
203.08563	12.3
205.06607	2.3
205.08382	1.6
205.10188	2.7
206.07233	3.1
207.08080	3.8
209.09621	1.2
211.07649	1.9
215.08585	8.9
216.07747	2.5
216.09608	1.1
217.06621	2.1
217.08670	4.8
218.07285	9.2
219.07997	10.4
219.09676	1.0
220.08754	3.3
221.06026	1.9
221.09552	7.3
222.06696	2.5
223.07384	1.1
224.08238	1.1
225.09074	1.9
230.07341	2.2
231.08029	13.9
232.08794	4.6
233.06061	2.1
233.09644	14.9
234.06799	3.5
234.10272	1.2
235.07475	7.3
235.11342	1.3
236.08382	2.0
237.09149	3.4
243.08040	2.8
244.08868	1.7
246.06699	7.6
247.07549	6.1
248.08261	5.5
249.09032	13.5
250.09872	4.4
251.06902	1.7
251.10789	2.8
253.08511	2.1
258.06866	2.2
259.07541	8.0
260.08286	6.3
261.09061	19.9
262.09830	3.9
263.07129	4.1
263.10657	6.6
264.07822	1.8
265.08600	8.8
265.12268	1.4
267.10172	3.2
271.09836	2.0
273.08765	1.2
274.06244	3.5
274.09567	0.9
275.07178	1.5
275.10449	2.0
276.07779	3.5
277.08621	11.5
278.09387	11.1
279.10175	4.5
281.11771	3.8
282.09021	1.0
285.11234	8.7
288.07803	1.5
289.08533	21.2
290.09280	3.6
291.10199	13.8
292.07733	1.1
292.10971	3.2
293.08441	2.3
293.11636	15.5
294.08743	1.4
295.13223	2.5
297.11243	10.1
303.10306	1.4
306.08884	2.2
306.12213	1.2
306.71365	1.2
307.09598	3.9
308.10339	3.8
309.11182	39.7
310.11499	1.5
311.12772	8.0
315.12460	7.7
321.11200	91.8
322.11920	4.5
322.39752	1.2
323.12766	20.4
324.13281	1.1
325.14252	1.2
335.12698	3.8
337.14545	1.0
339.12271	2.2
341.13852	4.6
347.12823	2.6
349.14761	1.5
351.12280	1.2
459.18082	1.4
471.18246	3.4
473.19553	3.0
483.17484	1.7
489.18372	1.3
519.20026	1.3
526.71722	1.3
715.49738	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.3078
Annotation	Unknow
Peak:m/z	Relative Intensity
58.61231	0.5
70.06594	3.8
70.35688	0.6
72.08146	0.9
84.04498	0.9
84.08150	0.7
86.09721	1.5
106.48541	0.8
110.07240	0.6
111.04246	1.7
120.08087	0.8
137.06006	2.9
147.04372	0.7
159.04166	59.7
160.04576	0.8
173.05807	0.9
175.03661	22.2
177.05446	0.7
178.90340	0.6
189.05246	0.9
202.06064	0.8
204.07581	1.8
220.07138	1.4
278.51154	0.8
356.12390	1.6
369.13126	0.8
383.14740	0.6
384.15433	1.7
390.04401	0.7
397.16214	14.5
398.16785	0.8
411.17920	1.9
413.15698	2.6
427.17334	2.8
428.17850	1.4
429.15292	1.3
452.17728	0.7
537.21826	0.9
565.20477	2.4
581.23260	0.8
593.23779	0.8
647.35931	0.6
734.97784	0.7
777.30811	100.0
778.31439	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	778.4727
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	11.7
55.05504	26.5
65.03946	4.2
67.05502	40.9
69.07059	14.8
71.04990	5.7
71.73265	5.1
79.05479	41.0
81.03420	13.1
81.06603	6.1
81.07055	63.1
83.04987	7.7
83.08610	19.2
85.02914	3.3
86.09685	7.9
91.05476	45.3
93.07024	35.2
95.01336	3.3
95.04972	18.4
95.08616	23.2
97.06527	8.0
97.10210	4.1
103.05425	4.3
105.07022	36.9
107.04967	10.1
107.08609	16.3
109.06512	19.6
109.10163	9.9
111.08103	6.0
115.05471	6.9
117.07008	14.7
119.08590	27.9
121.06503	9.2
121.10127	12.3
123.08044	4.3
123.11733	6.4
124.99987	4.5
125.09586	3.8
128.06192	4.1
129.06985	14.2
131.04929	4.7
131.08568	23.7
133.06544	6.2
133.10100	16.4
135.08078	7.9
135.11659	4.1
137.09642	5.9
141.07037	5.4
143.08568	11.2
145.06465	11.4
145.10088	21.0
147.08160	4.3
147.11674	14.5
149.09557	22.0
149.13225	6.0
153.06877	3.6
154.07771	4.7
155.08472	6.1
157.10112	6.2
159.08092	7.5
159.11687	12.2
161.09636	4.6
161.30121	3.6
163.11165	19.3
165.12714	8.4
169.10138	3.8
171.08058	5.0
171.11688	6.2
173.09636	9.6
173.13170	5.1
183.08136	4.4
183.11621	4.0
184.07365	30.0
185.05952	4.0
185.09601	4.4
187.07526	5.6
189.05412	5.7
191.07042	3.5
195.07907	3.8
197.09612	4.5
199.03941	6.4
201.05489	3.9
201.09151	5.0
203.07123	5.3
213.05524	10.3
213.09056	7.9
215.07001	5.2
217.08661	4.7
223.13287	10.0
225.09081	4.6
227.07123	3.3
241.08554	15.5
247.20457	4.2
255.10127	4.7
257.18979	9.8
271.09573	3.9
275.20026	100.0
276.20547	4.7
293.21100	50.0
349.17572	3.5
351.19708	4.9
367.19080	32.6
369.20551	4.1
379.19101	18.2
385.20114	15.0
397.20117	34.3
415.21121	37.8
433.22098	13.8
659.38599	9.4
671.40088	4.9
677.39746	4.4
689.39978	8.7
707.41730	7.0
725.42133	14.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	776.5718
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	2.4
57.03440	1.2
57.07070	100.0
59.04997	29.5
67.05501	2.0
68.14747	0.6
69.03397	0.8
69.07056	3.1
71.08624	95.5
71.22761	1.7
73.02915	1.7
73.06551	2.9
79.05499	1.0
81.03415	1.7
81.07049	1.5
83.08598	3.5
85.10174	91.1
87.04458	17.0
89.06020	82.2
91.05468	0.8
93.07018	0.8
95.08569	1.0
97.10148	1.7
99.11720	10.4
101.05990	0.8
101.09666	1.5
103.07565	1.4
105.07024	0.7
107.07061	3.9
117.09113	6.2
130.08611	3.1
131.07034	5.8
133.08594	71.1
141.16382	9.2
147.10143	1.3
175.09692	4.1
175.10945	0.8
177.11208	26.4
184.07280	1.6
195.12103	0.9
199.20558	18.9
219.12262	1.2
221.13864	4.8
223.15291	1.0
239.14777	2.1
239.61475	0.7
240.23138	2.7
257.24728	9.4
260.19513	0.6
265.16312	1.0
280.60501	0.6
283.17505	3.5
293.33411	0.8
309.19006	1.0
327.19949	1.4
337.26459	0.8
353.21594	1.1
371.22556	1.0
459.27585	1.4
503.30594	7.1
776.55798	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	776.5719
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	1.5
57.07071	69.1
58.07384	0.5
59.04997	14.1
62.93349	0.6
67.05507	1.4
69.03425	0.6
69.07064	1.5
71.08624	46.9
73.02906	1.1
73.06554	6.2
79.05444	0.6
83.08635	1.3
85.10174	38.5
87.04459	17.3
87.04995	0.8
89.06023	100.0
90.06342	0.7
91.05474	0.5
91.07596	0.7
95.04949	0.6
95.08611	0.8
97.10165	2.0
99.11725	5.7
103.07574	6.7
107.07066	3.8
113.06013	1.2
113.13292	2.9
117.09105	6.1
119.08552	0.5
130.08615	4.1
131.07030	6.1
133.08592	73.3
134.08887	0.6
141.16331	0.8
151.02766	0.5
151.09654	0.6
155.17946	3.2
157.08586	0.7
161.11754	1.4
175.09653	5.0
177.11215	28.6
178.11626	0.5
184.07220	0.6
199.20456	0.6
201.11317	0.7
213.22124	3.1
219.12244	1.5
221.13881	5.2
223.15329	0.9
239.14824	1.6
257.24698	4.2
265.16284	1.2
283.17419	1.5
327.20026	2.1
336.26035	0.8
353.21671	1.1
459.27878	0.8
503.30209	1.0
547.33069	4.1
773.70691	0.6
776.56750	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	776.4629
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01846	2.3
55.05505	56.7
57.03416	5.3
57.07067	24.2
59.04993	23.7
61.02935	1.7
64.47098	1.1
67.05502	11.6
68.99781	2.6
69.03423	13.9
69.07062	91.6
70.06568	4.9
71.04974	7.7
71.08622	6.3
72.08153	1.2
73.02915	1.5
73.06551	1.7
74.09685	1.4
79.05473	2.2
81.03414	13.9
81.06597	1.8
81.07046	18.0
83.04983	1.9
83.08611	100.0
84.08157	1.1
85.02393	1.5
85.02897	25.7
85.06531	2.8
86.09684	1.5
87.00811	9.0
87.04458	6.5
89.06023	72.1
91.05450	2.4
93.07037	2.5
95.04954	2.8
95.08602	13.7
97.02875	11.4
97.06541	1.4
97.10160	55.7
99.04436	3.9
99.08086	3.2
101.05941	1.7
101.09636	1.1
103.03943	2.1
103.07573	3.4
105.01856	7.0
105.07011	2.9
107.07076	3.0
107.08575	2.6
109.02854	12.1
109.10146	14.7
110.07144	1.3
111.04412	2.5
111.11702	10.4
117.09105	6.3
119.08523	2.2
121.06498	1.3
121.10159	2.3
123.07996	1.2
123.11694	7.2
125.09589	1.3
125.13246	12.0
127.03914	15.0
129.01842	1.5
130.08592	1.9
131.07004	4.3
133.08595	53.0
135.10156	1.9
135.11650	1.6
137.05966	1.6
137.13229	3.0
139.14790	4.0
143.14311	2.5
145.04930	4.4
147.10133	2.6
149.13332	1.4
157.15845	2.8
159.02864	2.3
161.11717	1.7
164.54160	1.3
165.09094	4.9
165.16374	2.2
167.06931	2.9
175.09651	3.0
177.11209	35.6
179.17920	2.6
183.17427	3.1
191.12839	1.7
195.12251	5.1
197.18967	2.3
201.18492	8.3
211.20509	2.7
213.03920	1.4
215.20038	6.9
221.13815	6.7
231.04921	4.3
235.15317	2.7
237.16873	2.4
239.14844	12.0
241.21632	3.7
248.88242	1.2
249.06091	1.4
253.16444	5.8
255.23151	4.1
259.22757	7.1
265.16223	1.8
273.24109	1.6
274.89835	1.1
279.17978	2.1
283.14493	2.0
283.17471	26.4
289.09088	4.5
293.19644	2.1
297.18982	9.5
311.20618	3.2
323.20612	4.2
337.22067	2.0
341.21619	4.6
457.32700	3.4
475.34476	1.6
493.37302	38.7
501.86017	1.3
511.38422	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	776.2104
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	12.2
56.05035	4.8
68.05013	2.6
69.03413	8.1
69.83895	3.4
69.84298	6.9
70.05135	1.6
70.06585	4.3
73.02883	3.0
74.00661	5.1
74.02433	2.6
79.05486	9.7
81.03428	4.3
83.06094	2.0
84.04495	68.6
85.02898	13.4
96.04505	1.9
97.02882	7.1
98.00606	2.1
98.20764	2.6
98.21317	3.2
102.00098	1.9
102.05533	5.4
105.00087	1.6
105.03418	3.4
106.06560	7.9
107.04939	8.2
108.04478	4.0
109.07631	2.3
110.06039	4.8
112.02247	2.2
114.05547	1.9
116.04967	32.7
116.05727	2.1
118.06567	1.7
119.71514	1.8
122.02732	10.7
127.03887	3.0
130.04996	29.4
131.99312	8.0
132.04510	2.0
133.07648	6.8
134.06007	28.0
136.03925	10.3
139.03278	1.8
140.01614	9.7
140.03442	2.7
142.03203	11.9
142.05014	4.1
144.08118	5.3
145.01971	2.8
151.08711	6.4
153.06627	7.2
153.99889	2.4
154.05022	4.1
155.08200	1.8
156.06650	2.0
156.08133	6.6
157.06093	5.0
157.07542	1.9
158.02725	2.8
168.01234	3.8
168.06708	2.3
170.02715	4.2
171.07765	3.4
171.09116	17.6
172.07550	2.2
174.00488	6.6
177.99895	23.4
181.06146	4.8
184.06023	14.5
185.03845	8.4
185.07100	3.3
186.02193	10.4
188.03822	6.9
199.07094	4.2
199.08650	24.3
200.07137	5.1
202.08699	3.6
209.05670	2.5
217.09769	2.9
218.08183	7.0
227.08214	7.4
231.04385	7.1
245.09186	22.3
246.07729	2.8
251.07016	5.6
263.10248	36.0
265.03329	5.0
266.01721	2.1
271.07535	1.9
289.03192	6.1
296.11163	2.1
297.05463	7.7
299.07095	2.9
335.03650	2.8
352.06424	4.4
372.06857	3.2
418.07288	19.1
425.15546	12.9
468.01804	1.8
508.53110	1.6
514.05774	1.8
604.79059	1.9
614.15802	47.7
776.21106	100.0
777.21246	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	773.5188
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	5.2
55.05502	27.7
57.03435	14.7
57.07071	4.2
61.02923	19.5
65.03970	2.6
67.05500	82.6
69.03427	7.7
69.07064	24.3
69.68671	7.8
69.69103	13.6
71.04972	5.2
71.08649	3.7
73.02893	7.5
79.05490	60.8
81.03408	9.7
81.07050	72.2
83.04969	5.3
83.08617	10.4
85.02901	18.1
85.06506	5.0
87.04482	2.8
91.03944	9.0
91.05475	48.0
93.07039	69.7
95.04955	13.0
95.08598	59.0
97.02881	11.2
97.06544	8.5
97.10156	5.2
105.07014	56.5
107.08586	34.1
109.06507	5.3
109.10138	24.2
111.07985	3.0
117.07020	20.8
119.08563	48.5
121.10124	28.8
123.08071	6.5
123.11665	2.9
128.06184	5.8
129.07014	19.7
131.08551	41.3
133.10146	33.3
135.11684	22.3
137.09593	2.7
141.06987	4.4
142.07744	3.5
143.08583	14.1
145.10109	34.6
147.11679	29.9
149.13255	12.1
155.08549	11.4
157.10144	20.4
159.11659	27.7
161.13257	22.7
163.11290	2.6
163.14828	6.7
169.10126	6.1
171.11687	19.3
173.13257	19.4
175.14833	9.7
177.12627	2.5
181.10220	5.9
183.11745	10.1
185.13229	14.5
187.14803	9.8
189.16306	3.6
195.11723	5.5
197.13254	8.6
199.14801	10.7
209.13278	2.9
211.14729	4.9
213.16359	3.7
215.17982	4.3
231.21100	4.4
241.19527	19.2
243.20958	3.6
244.17752	3.0
257.18942	5.0
259.20544	38.1
261.22079	7.3
271.20337	4.1
275.19769	4.8
277.21771	4.0
301.21405	4.1
333.24271	20.8
335.25815	46.0
336.25989	3.0
367.22552	5.5
385.23529	4.1
449.33887	2.8
486.08298	3.1
519.41766	5.8
567.96301	3.4
593.45343	7.0
609.44147	3.6
611.46649	100.0
611.56702	4.9
612.46722	6.1
637.84570	2.7
701.47711	4.9
773.51587	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	773.5186
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	20.8
55.31339	5.2
57.03423	12.2
57.07065	6.1
61.02911	19.2
64.19077	6.7
64.27531	5.1
65.03925	7.1
65.23850	5.5
67.05497	76.5
69.03416	10.8
69.07053	19.3
73.02910	5.3
79.05488	53.6
81.07041	78.8
83.08607	9.9
85.02898	9.6
88.93298	5.8
91.03922	7.4
91.05463	44.7
92.77348	5.0
93.07039	68.4
94.50049	5.5
95.04953	8.9
95.08595	58.3
95.53592	4.7
97.02879	12.8
97.10114	4.8
105.07027	51.7
107.08584	33.5
108.70474	5.3
109.10152	24.3
117.07021	17.9
119.08564	45.6
121.10133	36.5
123.11687	9.2
124.10912	5.2
129.06972	9.2
130.20418	4.8
131.08557	31.2
133.10091	38.3
135.11691	24.1
143.08537	14.6
145.10103	33.7
147.11678	32.5
149.13203	14.9
157.10129	16.6
159.11673	26.8
161.13228	31.6
169.10042	8.8
171.11673	22.4
173.13258	24.3
175.14801	14.4
183.11664	6.6
185.13257	12.9
187.14897	5.9
189.16432	5.7
191.14313	5.2
197.13179	8.2
199.14903	8.4
201.16351	6.1
215.17990	6.9
241.19539	22.0
257.18903	10.0
259.20630	48.6
261.22104	10.8
273.66110	6.0
302.14502	5.9
308.23706	5.4
333.24295	24.2
335.25742	82.1
367.22549	9.4
446.45609	5.2
519.41675	6.3
593.44965	11.1
609.44391	6.1
611.46582	100.0
612.47424	6.1
719.48663	7.3
773.51532	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	773.5185
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	32.2
57.03422	16.0
57.07054	20.1
59.04976	6.5
60.49743	5.5
61.02905	17.0
66.24500	6.1
67.05493	95.5
69.03419	10.3
69.07058	31.8
71.04979	7.1
71.06483	12.0
71.06886	14.2
71.08625	7.7
73.02906	6.7
73.35529	6.1
79.05481	87.7
81.03391	8.9
81.07047	97.7
83.08606	16.1
83.62492	5.6
85.02873	18.3
85.10186	7.4
87.98147	6.2
91.05470	67.9
93.07040	100.0
95.04939	8.8
95.08586	70.8
95.34423	5.5
97.02845	9.8
97.06532	7.9
97.10160	8.0
103.53508	6.0
105.07003	77.8
107.08580	42.2
109.06509	8.2
109.10130	21.3
111.08057	8.0
117.06998	26.5
119.08584	48.7
121.10133	48.1
127.03857	9.1
127.22778	6.6
128.06207	7.8
129.06998	12.5
131.08574	37.1
133.10104	46.7
135.11674	26.6
141.06993	8.4
143.08534	21.5
145.10127	30.7
147.08171	6.4
147.11671	40.3
149.13263	14.5
155.08479	7.5
157.10085	15.1
159.11696	42.1
161.13234	27.3
169.10110	13.1
171.11668	26.5
171.31216	5.9
173.13222	24.7
175.14804	11.8
183.11679	14.8
185.09512	6.9
185.13226	20.7
187.14864	13.3
197.13277	7.5
199.14774	11.7
211.14742	7.3
231.20953	10.0
241.19505	20.7
244.60542	5.3
257.19022	7.8
259.20493	49.9
301.21466	7.4
333.24271	36.0
335.25775	77.4
536.34491	7.3
537.41522	5.9
593.45587	7.9
609.44696	10.0
611.46619	88.1
612.46271	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	773.2127
Annotation	Isoorientin 3',6''-di-O-glucoside
Peak:m/z	Relative Intensity
55.01860	1.4
57.03426	1.4
61.02902	1.7
61.10065	0.5
68.99781	0.9
69.03414	2.4
70.06569	0.7
70.54989	2.2
71.04950	0.7
75.92918	0.5
76.02219	0.8
78.61455	0.6
81.03413	3.4
84.08131	0.6
85.02893	7.2
87.04454	0.7
91.05462	0.7
93.03406	0.7
95.04934	0.7
97.02897	3.4
98.21342	0.9
103.03931	1.8
105.03358	1.0
107.04954	1.3
109.02854	3.0
111.04389	0.8
115.05420	0.7
115.14762	0.5
121.02840	1.4
127.03859	1.7
131.04837	0.9
135.04385	5.5
137.01273	1.4
137.02325	24.5
145.04912	0.8
147.04372	1.1
151.03917	1.0
153.01828	0.7
159.04483	0.7
161.02318	3.7
163.03891	1.6
165.01822	1.0
171.04402	1.5
173.02370	1.2
175.03918	1.2
177.01871	1.2
177.05424	1.2
179.03398	3.7
181.04944	0.9
183.02943	0.8
185.05911	0.8
187.03889	1.7
189.01816	5.0
189.05415	0.7
190.02513	1.0
191.03369	4.1
195.02869	4.9
197.04431	0.9
199.04036	1.1
201.01736	1.1
201.05493	1.8
203.03372	7.2
205.04916	1.8
207.02837	8.5
209.04378	1.3
215.03302	1.6
217.04997	2.9
219.02870	6.2
219.06569	0.7
221.04385	2.5
225.03850	1.0
227.03343	1.0
229.04950	4.1
231.03024	0.8
233.04399	3.2
235.05930	0.8
239.03244	0.9
241.04927	0.7
243.02887	1.5
243.06595	0.9
245.04375	1.6
247.06084	1.1
253.04968	1.0
255.02808	2.0
255.06433	1.2
257.04395	3.0
257.08298	0.7
261.03922	1.0
267.06442	1.3
267.76373	0.7
271.05923	1.3
273.04056	1.8
279.06323	1.0
281.04434	1.0
283.05994	3.0
284.06818	4.5
285.03931	3.1
285.07227	0.8
286.04343	0.6
287.05466	3.0
295.06027	4.8
296.06683	2.1
297.07495	7.0
298.04694	0.7
299.05475	15.8
300.06186	2.4
303.05075	1.3
307.06079	1.5
308.06552	0.8
309.04193	0.8
309.07468	3.4
310.04697	20.0
311.05472	62.8
311.08719	2.4
312.06158	6.5
313.07037	9.9
315.05063	1.2
321.07556	2.2
322.08508	0.9
323.05472	46.3
324.06232	15.7
325.03314	1.2
325.07065	14.4
325.10715	1.2
327.05090	1.2
329.06506	13.2
333.07526	1.4
334.08337	1.2
335.05450	7.6
335.09027	1.3
336.06284	3.3
337.02985	1.5
337.07037	26.3
338.07755	11.5
339.04877	3.1
339.08609	6.3
341.06519	100.0
342.06873	2.6
345.07434	1.7
348.06064	1.2
349.07040	9.7
350.07794	1.1
351.04999	1.3
351.08636	12.0
352.05551	3.2
353.06516	70.2
354.06937	1.5
355.08112	2.3
358.08163	0.8
358.44504	0.6
359.08820	0.7
361.07019	3.2
362.07886	1.6
363.04813	0.7
363.08575	11.7
364.05750	0.7
365.06506	33.0
366.07007	2.8
367.08127	25.3
369.06046	2.1
371.07553	16.6
373.06879	1.9
375.08719	0.9
376.05551	0.8
377.06458	16.9
378.06970	1.3
379.07999	5.5
381.05814	0.8
381.09714	12.9
383.07571	5.9
389.06503	4.3
390.07285	1.2
391.08163	11.6
393.06003	1.7
395.07578	52.4
396.07959	2.0
401.06427	3.4
403.08023	2.0
405.10034	3.7
407.07574	26.1
408.08023	1.0
409.09003	2.9
413.08426	1.7
415.08334	0.7
417.09671	2.0
419.07544	26.4
420.07697	1.4
425.08621	17.7
429.09326	1.0
431.07520	4.5
433.08969	2.7
437.08621	18.7
443.09705	9.2
445.08643	0.8
447.10690	1.5
449.08640	2.3
452.81125	0.7
455.09720	17.2
461.08743	5.2
465.11697	0.8
473.10794	36.7
474.11005	1.0
479.09604	3.6
485.10059	1.9
491.11377	6.7
497.10764	17.4
503.11649	7.9
507.10339	0.8
509.10580	2.0
515.11859	10.0
521.10480	3.4
527.11810	9.3
533.12842	9.1
539.11755	14.2
545.12872	2.9
557.12842	28.2
569.12805	2.7
575.13855	10.9
581.12579	1.6
587.13818	21.1
593.14893	6.7
599.13812	7.5
605.14935	19.5
606.15594	1.0
611.15460	0.8
617.15045	13.7
623.15210	2.0
635.15997	55.8
636.16193	2.2
653.16998	9.9
659.16064	9.4
671.16302	1.3
677.17212	7.3
683.15454	1.0
689.16943	12.5
701.17114	6.6
707.17877	2.3
719.18213	11.9
720.18341	0.8
737.19470	8.7
755.20349	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	772.3527
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05009	1.3
57.45486	1.3
57.80841	1.1
60.78812	1.4
65.01768	1.2
65.03920	1.3
68.04665	1.2
69.52000	4.6
69.52424	8.0
70.06211	1.8
70.06580	18.1
71.15475	1.2
72.08139	2.5
79.05485	1.7
81.07003	1.8
84.04488	3.0
84.08131	2.9
85.02871	1.5
86.09693	6.8
91.05484	7.0
94.04172	2.6
103.05441	5.6
105.07014	2.8
107.04927	3.0
110.07159	2.9
119.04927	4.9
121.06473	2.6
122.03641	6.9
129.06953	1.5
129.10208	2.8
130.29990	1.2
131.04916	12.0
133.02834	3.9
133.06438	2.6
133.40752	1.2
135.04398	2.6
135.08051	2.5
136.07562	1.9
137.05959	100.0
143.04922	1.9
145.06465	1.6
147.04359	3.6
149.05977	5.2
151.03838	2.2
151.07515	17.0
153.05492	1.7
157.06522	2.4
159.09120	1.8
161.05945	12.4
162.06737	2.0
163.07564	12.7
165.05434	1.2
167.07005	1.9
175.07513	12.7
177.09096	2.4
179.06970	1.4
180.74342	1.4
181.08522	2.1
185.09624	1.4
187.07486	3.5
189.09096	4.5
191.07039	2.7
199.01276	1.4
201.09140	3.1
203.07065	2.4
203.10748	2.1
205.06511	2.0
224.43433	1.5
225.08939	3.4
227.10774	2.1
234.06787	3.1
237.09047	5.1
247.07491	1.9
249.09120	4.1
250.06219	1.7
253.08669	1.7
255.10164	1.6
261.08984	2.0
265.08548	13.6
267.10062	3.0
268.07095	1.6
277.08575	11.3
278.09283	1.9
283.09549	3.0
285.11197	2.2
287.12674	3.7
291.10245	2.3
295.09866	2.6
297.11145	17.8
299.12790	2.5
309.11142	11.3
310.11829	2.2
311.12845	6.8
321.10999	1.8
323.12677	2.4
327.12347	6.5
327.15582	1.6
337.14111	1.5
349.14435	1.4
351.15942	4.0
369.16885	3.4
376.95505	1.5
475.21164	2.5
493.21933	2.9
503.20792	1.9
521.21777	2.7
547.39221	1.5
598.10205	1.4
773.27032	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	772.3159
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	1.7
55.05498	3.4
56.05021	1.6
57.03427	2.5
58.99298	0.8
58.99579	10.2
60.04518	1.0
61.02914	1.9
63.85732	0.5
65.03931	0.6
67.05495	6.1
69.03415	2.6
69.07040	1.0
70.06588	7.7
71.04985	5.7
71.74566	0.8
72.08109	1.1
73.02876	0.7
73.35457	0.5
74.00642	1.0
75.04497	0.6
75.25483	0.4
76.02218	59.0
76.03980	2.2
79.05480	5.1
80.04999	0.8
81.03407	49.7
81.07047	3.8
83.04995	2.9
83.06077	2.1
83.08608	10.8
84.03992	1.1
84.04493	19.2
85.02380	0.7
85.02894	11.3
85.03993	1.3
86.09695	2.5
86.99030	1.8
88.02216	1.1
91.03944	1.0
91.05463	7.2
92.05801	0.6
93.07042	4.0
95.04956	14.9
95.08599	1.3
97.02891	4.2
97.06512	1.0
97.10123	1.0
100.02141	0.8
101.07134	0.5
102.05532	2.2
105.07027	5.3
107.04932	3.7
107.08568	1.4
109.02879	1.6
109.06504	1.1
109.10110	0.8
110.07192	2.8
111.04417	1.5
111.08060	5.0
112.03938	0.6
112.08736	1.4
115.05473	0.6
115.08670	0.8
116.01667	13.2
117.06984	0.7
119.04906	0.9
119.08553	5.1
121.06488	1.2
121.10127	2.5
123.04427	1.2
123.08006	0.8
127.03907	1.1
129.05463	1.5
129.07016	3.6
130.04980	8.0
130.06500	1.1
131.08536	4.0
133.06468	2.1
133.10130	1.9
136.07574	2.1
137.02298	1.8
137.09578	0.9
140.29602	0.5
142.03215	6.2
142.07774	1.0
144.01122	9.6
145.04926	1.5
145.06261	0.5
145.10051	0.6
147.08034	1.6
147.11653	3.6
149.09607	2.7
153.01834	2.4
157.10100	5.5
162.02182	29.2
163.11139	0.7
165.01823	1.5
165.12711	1.0
170.02692	2.0
173.09442	0.5
175.11148	6.4
177.03256	2.9
179.04834	49.4
183.02907	0.8
187.05380	2.0
193.12219	35.0
194.12503	1.0
201.05492	0.9
211.13269	3.7
215.04887	1.5
229.04980	2.0
233.05893	13.9
235.13310	1.1
245.05910	2.2
257.04398	1.8
259.13190	0.8
267.15881	18.6
274.04819	0.7
285.03897	1.1
285.16925	24.5
286.17371	0.8
290.08081	1.2
291.06433	1.4
301.14130	0.8
303.04962	71.9
308.09067	100.0
309.09521	2.4
309.16937	3.1
315.05099	0.7
337.06735	0.6
345.06036	1.1
375.18506	0.6
396.20074	0.6
413.08969	0.6
465.10239	15.9
574.24274	0.7
591.27991	0.5
592.25433	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	772.3156
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	1.1
55.05506	3.2
55.99080	0.5
56.05033	0.9
57.03425	1.9
57.98784	0.7
58.99292	0.9
58.99579	12.2
61.02909	2.3
65.03935	0.7
66.40621	0.5
67.05493	6.2
68.05030	0.5
69.03414	1.8
69.07059	1.6
69.51649	4.7
70.06583	4.9
71.04978	2.7
72.08134	1.1
73.02905	0.8
74.00667	1.4
76.02219	63.9
76.03989	2.1
79.05476	5.0
80.04996	1.1
81.03408	58.0
81.07045	5.9
82.03737	0.8
83.04972	3.1
83.06088	1.6
83.08611	14.2
84.04494	18.7
85.02901	6.7
85.04009	1.3
85.06532	0.5
86.09702	1.7
86.99041	2.6
88.02210	1.1
91.03946	1.0
91.05462	8.5
92.94917	0.4
93.07030	4.7
95.04957	17.2
95.08595	1.2
97.02884	3.5
97.06507	0.5
97.10181	0.9
99.04510	0.6
100.02201	0.6
102.05528	0.9
105.07020	4.0
107.04935	4.3
107.08579	2.2
109.06504	1.7
109.10172	0.8
110.07168	2.7
111.04440	0.9
111.08056	6.0
114.03738	0.6
116.01667	15.9
117.06950	0.5
119.04897	0.6
119.08562	5.7
121.06506	1.1
121.10116	3.5
123.04391	1.2
123.08074	0.8
127.03928	0.9
129.05511	0.6
129.07010	5.3
130.04979	10.6
130.06479	0.9
131.04520	0.9
131.08556	4.6
133.06467	1.5
133.10107	3.3
136.07559	1.7
137.02347	0.9
137.09610	0.9
140.83304	0.5
141.04793	0.7
142.03197	8.1
142.07767	1.2
144.01137	10.4
145.06027	0.7
145.10120	0.7
147.08017	1.6
147.11665	4.7
149.09601	2.6
153.01807	1.5
157.10103	7.5
162.02180	35.1
163.11130	0.7
165.01865	0.8
165.12755	1.1
170.02673	2.5
175.11176	8.4
177.03239	3.1
179.04836	55.7
184.92223	0.6
185.03651	0.6
187.05350	1.7
193.12222	38.8
194.12625	0.6
211.13275	4.3
215.04829	2.1
216.03203	0.8
229.05139	0.7
233.05885	15.5
235.13200	0.9
245.05864	3.2
257.04486	0.9
267.15881	20.5
285.16934	28.2
290.08072	1.1
291.06403	1.9
299.05359	0.7
301.14172	1.1
303.04965	27.2
308.09067	100.0
309.09341	1.6
309.16864	2.8
337.06879	0.6
345.06091	0.5
363.17838	0.5
393.18790	0.8
449.10486	0.6
452.13583	0.7
465.10257	5.6
470.14294	1.2
574.23492	0.6
592.25446	4.0
620.21008	0.5
754.30438	1.8
767.50403	0.6
787.13391	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.5035
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.1
55.05509	9.3
55.77131	0.8
57.03434	4.4
57.07060	2.6
61.02921	15.5
65.03933	1.2
67.05499	22.8
69.03426	8.5
69.07065	9.5
69.59660	3.1
69.60095	3.4
71.04989	2.4
73.02910	9.3
79.05489	15.0
80.95332	0.7
81.03389	4.6
81.07050	22.0
83.04984	1.6
83.08608	4.8
85.02896	10.2
85.06539	1.2
91.03947	7.7
91.05469	12.8
93.07036	14.6
95.04964	2.9
95.08595	17.2
97.02885	10.9
97.06533	1.8
97.10172	2.5
98.20755	1.8
99.04464	1.9
99.08080	0.8
101.02388	2.8
103.05432	0.7
105.07021	14.0
106.72160	0.8
107.04968	0.8
107.08584	11.0
109.02863	1.0
109.06490	1.6
109.10139	6.8
111.08087	0.9
115.03896	0.9
115.05433	1.0
117.07016	7.5
119.08578	11.3
121.10131	7.4
123.08039	1.4
123.11658	1.4
125.09614	0.9
127.03931	2.7
128.06226	1.8
129.06990	8.4
131.08566	10.5
133.10118	8.6
135.08043	1.1
135.11688	3.2
141.06979	4.6
142.07793	3.1
143.08546	11.6
145.04935	0.8
145.10130	11.8
147.11676	5.7
149.13249	2.4
153.07005	1.6
154.07852	1.1
155.08548	10.1
156.09395	1.7
157.10104	10.6
158.10916	0.8
159.11671	8.4
161.13251	3.4
161.85400	0.7
165.06982	1.2
166.07799	1.8
167.08542	4.4
168.09357	1.6
169.10118	10.9
170.10915	1.3
171.11696	9.2
173.13252	4.2
175.11276	0.9
175.14833	2.0
179.08556	1.5
180.09229	1.0
181.10092	5.9
182.10777	1.2
183.11668	10.1
185.13225	7.5
185.58105	0.7
186.39012	0.9
187.14821	2.2
189.16414	0.8
193.10136	2.3
195.11687	7.1
197.13228	7.9
199.13225	1.3
199.14755	5.7
201.16460	2.3
205.10109	1.4
207.11740	2.5
209.13254	5.4
210.14085	0.9
211.14769	4.8
213.16418	2.9
215.17868	0.9
217.10219	0.8
221.13316	3.3
223.14812	3.9
225.16331	4.2
227.17949	2.1
235.14844	2.1
237.16380	3.1
239.17947	1.7
241.19594	2.2
249.16428	1.2
251.18076	1.7
253.19646	1.5
263.18198	0.8
265.19455	0.9
279.21179	1.0
295.20398	0.9
297.22083	0.8
311.23557	1.0
325.25375	1.1
335.23456	1.1
337.25275	1.0
339.22903	0.9
349.25296	1.1
351.27283	1.0
365.28232	1.0
403.29865	0.9
421.31076	0.8
447.32501	0.9
475.34280	0.8
501.35815	1.6
517.40485	6.2
527.36755	0.8
535.41296	3.1
539.37427	3.2
541.39343	1.7
591.44012	6.1
607.43457	2.4
607.88910	0.7
609.45093	100.0
610.45544	5.4
611.47003	1.2
621.44763	1.4
633.44641	1.1
651.46014	1.1
669.05011	0.8
753.48376	1.8
771.37280	1.3
771.50403	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	771.5035
Annotation	Unknow
Peak:m/z	Relative Intensity
53.72801	0.7
55.01854	2.5
55.05505	11.7
57.03437	6.2
57.07068	1.7
61.02921	16.4
65.03938	1.2
65.59940	0.7
67.05501	25.4
69.03424	7.3
69.07065	10.2
69.56458	3.9
69.56881	2.2
71.01350	2.0
71.04984	2.4
71.08615	0.9
72.50198	0.7
73.02911	9.0
79.05489	17.4
81.03407	4.5
81.07050	22.7
83.04962	1.3
83.08617	6.6
85.02901	14.1
87.04444	1.2
91.03944	7.3
91.05474	16.0
93.07030	17.2
95.04962	3.6
95.08598	19.7
97.02886	12.1
97.06533	2.2
97.10174	3.0
98.21481	0.7
99.04465	2.0
99.39124	0.8
101.02381	2.3
105.07014	14.9
105.07713	0.8
107.04958	2.8
107.08577	11.2
109.02872	1.1
109.06533	2.6
109.10145	8.7
111.08114	1.4
115.03943	1.1
115.05453	1.5
117.07020	9.3
119.08569	14.0
121.06508	1.1
121.10131	7.8
123.08079	1.5
123.11723	2.6
127.03904	2.1
128.06224	2.2
129.06984	10.5
130.07797	1.0
131.08557	12.8
133.10112	9.7
135.08044	1.2
135.11691	4.3
137.13185	1.2
139.11209	0.7
141.06976	4.3
142.07805	2.7
143.08549	11.9
145.06476	1.1
145.10112	11.1
147.11690	5.3
148.10976	0.8
149.09688	0.8
149.13248	1.6
153.06883	1.5
154.07774	0.8
155.08557	10.0
156.09407	1.7
157.10110	13.0
159.11667	10.3
161.13278	3.1
163.11148	1.0
163.14888	0.7
165.06987	1.9
166.07797	1.5
167.08557	6.1
168.09341	2.0
169.10135	9.6
171.11682	9.1
173.13268	6.0
175.14825	2.8
179.08612	2.9
180.09285	0.8
181.10088	8.1
182.10916	0.7
183.11707	14.1
185.13252	8.5
187.13364	1.0
187.14758	3.5
189.16353	1.3
192.09366	0.9
193.10139	3.3
194.10966	0.9
195.11691	6.4
196.12469	1.2
197.13251	9.8
199.14812	5.3
201.16377	1.1
205.10141	1.6
207.11742	3.5
209.13203	6.2
211.14824	7.4
213.16425	3.9
219.11916	1.7
221.13312	3.8
223.14830	4.7
223.16623	0.8
225.16388	5.4
227.14362	0.9
227.18010	2.0
233.13274	1.9
235.14819	2.5
237.16353	3.7
239.17952	2.0
249.16440	1.2
251.17943	1.8
251.81781	0.8
253.19693	1.7
265.19647	0.9
267.21033	1.0
269.30603	0.7
283.20718	0.8
291.21136	0.9
297.22229	1.0
299.20145	1.0
305.22446	0.8
307.20407	0.9
323.23883	1.1
325.25107	1.0
335.23529	1.4
337.21646	0.8
337.25519	2.0
339.23193	1.3
339.26843	0.9
349.25183	1.0
351.26831	1.6
363.26810	0.9
365.28403	1.0
378.85577	0.8
393.27521	1.1
447.32840	1.8
449.34106	0.9
461.34360	1.4
467.34662	0.9
501.35748	1.2
515.38245	1.1
517.40509	7.2
521.37067	0.9
525.36102	1.2
527.37177	1.2
534.46564	0.9
535.41412	3.8
539.37433	1.9
540.38361	1.0
541.38983	1.6
553.42438	1.0
591.43939	7.0
607.43481	2.7
608.44598	0.8
609.45081	100.0
610.45428	5.3
621.44287	1.9
651.45715	1.6
653.72192	0.8
717.47125	1.5
735.47949	2.0
753.49213	1.6
771.50238	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	771.3852
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	0.6
56.05030	0.8
60.04524	0.2
61.01142	9.6
67.05490	0.2
68.05030	0.3
69.03417	0.6
70.06580	79.7
71.06915	0.6
71.74840	0.3
71.75271	0.5
72.08143	4.8
81.03394	0.4
81.07013	0.3
82.34176	0.2
83.06092	0.9
84.03987	0.5
84.04494	9.6
84.08125	0.4
85.02896	0.3
86.06031	0.2
86.09686	0.9
91.05468	0.4
93.07045	0.3
95.08623	0.3
97.02837	0.2
98.06071	0.7
99.09206	0.3
101.07124	6.0
103.01624	0.2
105.07026	0.3
107.04926	0.3
107.08613	0.4
110.07132	0.3
112.03947	0.4
115.05488	0.2
115.08686	0.5
116.07078	7.7
117.03708	1.0
118.06862	100.0
119.07195	0.8
120.08119	0.3
125.07106	0.6
127.08649	0.6
129.06578	3.9
129.10197	0.3
130.06519	3.7
132.04749	0.7
132.08084	1.4
132.26711	0.2
136.07558	0.6
137.05962	0.4
138.09109	1.4
142.06534	0.4
145.51509	0.2
146.06050	0.3
149.09586	0.2
155.11806	0.7
157.06055	2.2
159.09154	6.7
163.08980	15.5
164.09302	0.3
167.07011	0.5
169.07590	0.4
170.05975	3.5
174.05855	0.5
178.04970	0.6
181.09778	0.6
182.08380	0.5
182.12799	1.2
183.11249	2.6
184.07935	0.2
187.08672	0.4
196.11258	0.3
200.13902	2.8
201.10591	0.3
209.09119	0.4
210.12398	0.4
211.10631	0.3
211.12383	0.4
213.12305	25.2
223.12239	1.8
225.13741	1.1
226.05273	0.7
228.13484	0.9
239.11769	1.2
242.16512	1.0
243.07994	2.1
246.12675	9.9
247.13133	0.2
256.14505	0.7
257.09604	0.5
257.12878	0.3
274.12152	27.2
275.12479	0.7
284.13849	1.8
286.15469	0.6
297.13007	0.3
299.05630	0.3
315.04807	0.4
327.05121	0.3
328.16898	0.4
329.06351	0.3
332.14304	0.5
345.19406	0.7
370.22543	0.3
373.18988	39.1
374.19229	1.3
382.17569	1.3
396.20068	0.4
399.20218	4.7
414.21179	0.5
430.21292	0.6
442.20770	0.4
514.24982	0.2
515.27954	6.9
516.27966	0.5
531.27435	11.6
532.27759	0.7
539.26062	0.8
542.24182	0.4
559.26929	23.2
560.27600	1.2
656.32172	2.7
771.27100	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.4902
Annotation	Unknow
Peak:m/z	Relative Intensity
54.59998	0.7
65.50975	0.6
66.95545	0.7
67.05475	1.3
69.82218	1.9
69.82649	2.5
79.05499	1.0
81.03418	0.9
81.07050	1.0
94.83928	0.6
95.08600	0.7
116.55038	0.6
171.75064	0.6
185.97296	0.6
267.16071	0.6
313.27515	0.6
314.27652	0.8
314.56653	0.6
329.43130	0.7
333.05093	0.6
396.01099	0.6
596.04236	0.7
624.92072	0.7
651.45978	1.2
749.43561	0.9
767.49231	100.0
768.49432	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	769.2223
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	16.0
56.05030	3.6
57.03432	3.3
58.99576	3.1
59.51148	0.8
60.04507	1.5
61.02921	2.7
68.05024	2.2
68.99777	1.8
69.03423	23.8
70.06597	3.7
70.70647	2.5
71.01353	1.3
71.04988	1.9
73.02908	3.6
73.04035	9.7
74.00658	1.3
74.02436	2.5
76.02227	2.0
76.03996	4.7
79.05481	6.8
79.39471	0.9
80.05002	4.1
81.03409	47.6
83.01347	1.2
83.06113	1.2
84.04495	72.6
84.08126	0.8
85.01123	1.1
85.02895	23.6
85.03384	1.3
86.00659	1.0
86.09700	1.1
86.99052	2.3
87.00826	8.6
88.02209	1.7
88.03975	0.9
91.05495	3.2
94.56718	0.8
95.04981	0.8
95.06070	0.8
96.04501	3.1
97.01128	2.9
97.02882	9.8
98.06054	3.9
99.04451	6.2
99.05558	0.9
102.05534	1.2
104.04961	0.9
105.01868	3.6
105.03387	5.8
106.06541	16.7
107.04936	7.5
108.04480	2.7
109.02869	18.0
109.07667	0.9
110.06027	2.1
110.07166	1.5
111.02691	2.7
111.05599	1.3
112.02185	3.0
112.03954	4.1
113.00611	3.3
114.03756	1.5
114.05540	1.4
115.02101	1.0
115.03987	0.9
116.01665	24.6
116.04971	34.1
117.01890	1.2
117.05750	1.3
118.06554	2.2
120.08101	0.9
125.00567	0.9
126.05526	1.6
127.03916	16.9
129.01871	1.3
129.06908	1.1
130.04990	28.5
130.06563	2.9
132.04448	1.8
132.06871	1.7
133.07603	10.7
134.06003	31.0
135.04430	2.2
136.03911	4.4
136.07570	1.1
137.06010	0.8
138.03754	1.7
138.05521	0.8
139.02116	30.0
140.01634	7.8
141.02431	1.3
142.03209	24.1
142.05014	1.9
142.34953	0.7
144.01129	12.8
144.02121	1.2
144.08057	6.4
145.05020	3.7
145.06038	0.8
145.07610	2.2
148.07582	1.9
149.07088	6.1
151.08636	9.7
152.07040	1.0
153.06619	1.3
154.05051	1.6
154.06494	2.1
155.04568	1.9
155.08153	1.7
156.04747	14.6
156.08069	8.5
157.06102	5.0
157.07635	3.5
158.06029	2.4
159.02934	3.4
160.07558	1.0
161.07112	1.2
162.02185	26.1
165.06673	1.1
166.03215	1.3
167.01582	5.4
170.02708	9.6
171.09155	25.2
172.07539	4.8
174.09126	1.2
176.07234	1.0
181.06137	1.5
185.03874	1.4
185.07025	4.3
187.06050	2.1
188.03831	0.9
188.07120	1.8
193.06024	1.0
194.06346	3.9
196.04333	0.8
199.05675	1.5
199.08656	29.3
200.07074	7.3
202.08687	3.2
207.07625	6.4
208.08427	2.9
211.07185	5.3
213.08746	1.3
215.04884	0.8
217.09712	4.4
218.08157	6.0
222.05823	73.8
223.06267	1.3
227.04828	1.7
227.08179	11.6
228.06496	1.4
231.04886	1.5
235.10858	1.5
241.06482	1.2
242.04738	11.4
245.06050	6.5
245.09285	35.9
246.07634	2.7
250.05327	22.0
257.07846	2.5
259.07510	7.3
263.10233	34.0
263.13055	1.3
264.10684	1.0
267.08060	2.9
268.06320	1.2
295.07538	1.9
313.08578	1.3
325.08484	16.7
325.11960	1.3
334.76837	0.9
338.12115	1.6
371.09137	1.9
388.11749	2.4
401.11893	0.9
425.14792	1.3
429.11569	1.1
467.16443	7.4
503.16318	0.9
504.13889	1.0
511.15628	12.9
521.16962	39.4
522.17395	1.9
683.22162	11.1
725.23236	55.9
726.23932	2.7
751.21027	2.2
769.22253	100.0
770.10059	1.2
770.22406	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	767.2536
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	2.1
57.03438	1.1
61.02944	1.3
65.03937	1.2
67.04511	1.0
69.03419	6.0
70.06578	8.3
71.04986	1.6
71.33153	2.6
72.08131	1.3
73.02930	1.3
79.05488	3.1
81.03426	5.2
84.04493	3.5
84.08129	2.2
85.02894	7.7
86.09683	4.3
87.00838	2.2
91.05486	10.9
91.93256	0.9
94.04169	4.9
95.04961	1.3
96.15882	1.1
97.02888	4.1
99.04460	2.1
103.05463	4.2
104.06244	1.2
105.01897	2.1
105.07023	7.2
107.04959	3.5
109.02863	4.1
109.06513	1.3
110.07161	2.9
115.05452	7.6
115.08664	1.3
117.01873	1.3
117.06995	3.1
119.04933	2.1
119.08562	5.9
121.06502	2.6
122.03646	10.5
127.03918	5.7
128.06200	6.0
129.07001	4.3
129.10176	1.3
131.04921	6.5
132.05696	5.7
133.06523	5.0
136.07602	2.7
137.05963	100.0
138.06328	1.3
141.06989	3.2
144.05690	1.3
145.04977	1.1
145.06476	4.3
146.03654	2.0
147.04352	2.2
147.08043	8.7
149.05960	5.8
151.03920	2.2
151.07518	2.9
152.06134	1.0
156.05722	1.7
157.06528	1.0
158.07321	1.0
159.02927	2.7
159.08031	2.9
160.05176	4.5
161.05965	14.9
163.07542	7.2
165.07011	3.5
166.07692	2.1
167.07018	2.2
168.05789	1.6
169.06487	3.4
171.08125	1.3
172.05144	2.5
173.06032	1.7
175.07530	65.4
177.06905	1.7
177.09146	2.4
178.07776	1.5
179.08537	1.6
181.06474	1.1
182.07242	1.2
183.08014	1.0
184.05161	5.3
185.05939	1.4
186.06810	1.3
187.07513	11.9
188.11449	0.9
189.07123	1.2
189.09041	1.9
190.07770	2.3
191.06914	1.5
191.08484	1.8
193.06485	2.6
194.07310	5.0
195.08060	3.1
199.07521	34.6
201.05518	1.0
201.07471	1.1
201.09058	6.5
202.07793	1.9
203.08615	2.8
205.06491	4.7
205.08414	1.4
206.07195	1.2
207.08000	3.0
209.09604	1.5
211.07558	1.3
215.08549	3.9
217.08478	1.6
218.07300	3.4
219.08028	5.0
220.08812	1.2
221.05989	5.5
221.09641	1.6
222.06799	4.8
223.07509	1.4
225.09050	4.8
227.10553	1.1
230.07272	1.3
231.08107	4.1
232.08867	2.8
233.05820	5.1
233.09669	2.9
234.06691	2.0
235.07552	5.2
236.08266	1.8
237.09039	7.7
238.09860	1.0
243.08061	3.1
245.06079	1.5
245.09528	1.7
246.06772	2.7
247.07574	3.2
248.08405	2.0
249.05475	1.3
249.09125	3.7
250.06210	2.3
251.07088	1.2
251.10707	2.0
252.07979	1.5
253.08601	5.1
254.09036	1.6
255.08028	2.1
256.08746	1.1
259.07553	3.4
260.08386	3.1
261.09186	6.3
263.07037	2.3
263.10773	1.7
264.07703	1.3
265.08585	18.1
267.10223	2.2
271.07339	1.5
272.08383	1.8
273.09006	1.9
274.06268	2.1
275.07303	1.3
275.10666	2.7
277.08533	6.5
278.09344	3.1
279.10120	4.3
282.08798	1.3
285.08408	1.6
285.11237	18.9
287.10349	1.6
288.07828	1.8
289.08496	8.6
290.09283	2.1
291.06442	1.1
291.10110	3.1
292.10913	1.7
293.08658	1.1
293.11707	4.7
297.11188	22.7
301.08557	3.9
303.10129	4.6
304.10953	1.5
305.08353	1.4
305.11722	1.5
306.08954	1.9
307.09753	2.6
308.10416	1.9
309.11249	8.4
310.11816	2.1
311.12781	10.8
315.12674	7.4
317.11621	1.1
319.10471	1.6
320.10535	1.6
321.11182	19.6
322.11945	3.6
323.12842	9.1
333.11285	2.5
335.12872	15.0
341.13852	3.1
347.12738	3.4
348.11249	1.4
349.14371	3.0
351.13339	1.0
359.12796	1.0
365.13651	4.3
379.13251	1.8
381.11279	1.3
388.10959	1.0
407.12607	2.3
436.13345	1.4
439.15524	6.3
451.15607	5.5
452.16220	1.2
459.17825	5.1
471.18015	20.3
473.19623	9.4
483.18015	5.0
501.18863	6.4
768.09058	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	764.3115
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33674	1.4
55.01859	2.8
65.03902	1.3
69.03401	2.5
69.82439	1.4
70.06580	9.1
70.32368	6.4
72.08125	2.2
75.97690	1.1
76.71394	1.4
79.05485	1.8
81.03400	1.7
84.04500	1.8
84.08134	2.3
85.02871	4.2
86.07570	1.3
86.09673	3.6
91.05472	4.9
95.04981	1.8
97.02909	2.0
100.11243	4.1
103.05443	5.0
105.07024	2.0
106.04178	1.8
107.04941	3.5
110.03651	3.2
110.07121	1.9
111.04403	2.8
115.05501	1.6
115.30025	1.2
119.04929	4.3
120.08078	1.8
121.02838	3.9
121.06503	2.4
123.04383	3.1
124.05206	1.4
125.05968	2.0
126.11818	1.6
128.06218	1.7
131.04927	6.0
133.02850	2.2
133.06445	4.0
135.04463	2.0
136.07619	1.6
137.05954	15.4
138.06290	2.0
145.04968	1.4
145.06398	2.6
147.04408	4.4
149.05968	4.8
151.03856	2.1
151.07523	2.7
153.05487	6.9
159.08009	3.5
160.05171	2.1
161.05980	5.7
163.07561	3.4
167.07025	27.8
175.07549	17.3
177.05388	2.1
179.06996	3.8
179.08459	2.6
181.04941	6.2
181.06485	2.2
181.08447	1.9
187.07561	5.0
189.08910	1.6
191.07047	6.2
191.08578	2.2
193.08568	10.2
194.07256	2.1
195.07913	1.3
199.07472	3.7
202.07794	2.5
203.08640	1.5
206.07326	1.9
207.08095	2.5
209.08055	4.7
209.09814	1.5
210.14842	2.0
217.08528	1.8
218.07280	2.5
219.07991	6.4
220.08783	2.8
221.09763	2.5
222.06781	2.3
223.07439	2.8
225.09048	1.8
231.08063	4.0
232.08731	1.9
233.05933	1.6
233.09692	1.7
234.06718	1.9
235.07533	4.4
236.08275	5.3
237.09091	1.9
238.06265	1.7
239.06996	1.5
247.07535	5.3
248.08324	5.3
249.09036	3.0
251.06952	3.8
251.10539	3.2
252.07864	2.7
253.08621	2.1
254.09303	1.6
259.07581	2.5
261.09125	3.6
262.09851	2.3
263.06876	2.8
264.07715	3.3
265.08575	14.6
266.09311	2.0
267.10129	2.2
275.06912	3.1
276.07761	4.0
277.08463	4.0
279.06723	2.4
279.09912	3.3
280.10605	1.4
281.08136	1.5
281.11749	2.4
283.09683	2.7
289.08475	2.5
290.09302	1.7
291.06650	2.0
291.09973	10.8
293.08038	5.0
294.08807	4.0
295.09637	2.8
297.11099	2.6
304.07388	2.1
307.09689	5.4
308.10355	2.2
309.08011	1.6
309.11166	9.4
311.09549	1.7
311.12561	6.8
313.10965	1.5
319.09631	14.0
321.11270	2.7
322.08554	2.0
323.09155	3.1
323.12805	3.2
325.10593	6.3
325.14212	2.1
329.13803	4.6
337.10657	60.3
338.11295	6.7
339.12225	16.2
340.12988	1.8
341.13812	5.5
351.12244	23.2
353.13864	5.0
355.15259	3.1
357.13235	12.2
369.13303	100.0
370.13678	4.1
387.14270	5.7
454.66858	1.5
764.55780	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	764.3116
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	2.2
61.35862	1.5
65.03932	2.4
67.05489	2.6
69.70981	13.1
70.06577	11.4
72.08141	2.5
81.03397	2.3
84.04478	3.2
84.08131	4.8
85.02890	3.7
86.09695	6.3
91.05470	5.6
98.20745	2.8
100.11233	2.8
103.05450	3.2
105.07052	3.1
106.04170	2.7
107.04927	3.7
109.02847	1.9
111.04438	2.7
119.04925	4.1
120.08112	4.1
121.02832	2.8
121.06512	3.4
125.05994	2.7
129.07056	1.8
129.10199	2.8
131.04941	7.2
133.02791	1.8
134.03596	1.7
137.05975	16.1
145.06474	3.1
147.04417	6.2
149.05966	4.6
151.03888	2.6
153.05418	6.1
159.08052	3.4
161.05937	5.1
163.07523	4.7
167.07036	26.0
167.08366	3.0
175.07527	15.4
177.05489	2.1
177.12794	1.8
179.07010	3.2
181.04916	6.8
181.08554	2.6
187.07535	3.5
189.09128	2.0
191.07040	5.7
191.08604	2.9
193.08583	8.4
194.07265	3.1
199.07549	3.6
200.21732	1.5
203.08591	2.2
207.07997	1.9
209.08101	6.4
210.14870	3.0
214.31369	1.5
218.07288	2.6
219.08005	5.1
220.08685	1.8
221.09682	2.2
222.06631	2.5
223.07410	2.0
225.09012	2.0
232.09055	1.7
234.06680	2.5
235.07509	4.3
236.08401	3.5
237.09047	3.4
246.06749	1.7
247.07451	4.3
248.08304	4.1
249.09190	2.7
251.07137	1.6
251.10677	2.7
253.08458	3.0
259.07587	2.7
260.08270	1.9
261.09210	1.7
263.07010	2.6
264.07758	2.8
265.08459	7.8
266.09222	2.2
269.11749	2.4
273.09146	1.6
276.07742	4.5
277.08514	3.0
278.09445	2.7
279.06665	2.1
279.10117	5.5
282.08777	2.2
283.09573	2.0
289.08722	2.6
290.09155	1.6
291.10007	8.8
293.08051	4.9
293.11383	1.5
294.08838	4.4
295.09546	1.9
296.10379	1.8
297.11261	1.9
304.07126	2.3
307.09521	7.3
308.10345	1.8
309.08112	1.9
309.11093	11.3
311.12793	4.6
319.09744	12.5
321.11276	2.7
322.08215	2.2
323.09247	2.0
323.12927	3.2
325.10739	5.3
326.11404	3.0
329.13708	3.6
337.10681	50.6
338.11197	5.5
339.12158	14.0
340.12979	3.0
341.13846	3.4
351.12177	23.7
353.13873	5.7
355.15366	3.2
357.13116	9.4
369.13303	100.0
370.13617	4.1
387.14597	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	763.404
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.4
55.01846	1.9
55.05492	3.7
57.07066	1.4
65.03928	2.0
67.05497	13.6
69.03419	5.6
69.07055	2.4
69.45908	9.7
69.46336	4.0
79.05485	10.2
81.03407	9.0
81.07049	12.8
85.02891	4.4
91.05478	11.7
93.07044	10.2
94.04176	3.4
95.04949	2.8
95.08580	9.0
97.02886	3.1
97.06502	1.9
98.21456	3.1
103.05463	7.0
105.07011	7.0
107.04939	2.7
107.08585	6.1
107.93697	1.4
108.22528	1.4
109.02872	1.8
109.06490	1.8
109.10152	3.2
115.05437	6.0
117.06995	6.3
119.08565	7.1
121.06469	1.5
121.10131	2.0
122.03659	9.9
127.03904	1.8
128.06201	4.1
129.06995	4.2
131.04901	10.9
131.08533	3.8
132.05672	4.0
133.10098	2.6
135.11668	2.2
137.05960	100.0
141.07004	2.7
145.10095	2.2
146.03609	1.8
147.08057	8.1
147.11713	2.2
149.05965	1.9
149.13211	1.8
151.07622	2.1
152.28125	1.4
154.07782	1.6
159.08017	1.7
160.05191	4.3
161.05946	13.6
163.07518	26.8
169.06491	3.2
171.08084	1.7
173.13405	1.6
175.07526	70.1
175.60756	1.4
176.07936	1.5
177.09106	7.7
184.05148	2.5
185.05927	2.0
187.07571	6.1
191.08553	3.3
199.07512	14.7
201.09087	3.5
202.07771	4.5
203.08533	9.0
208.85606	1.4
219.08006	6.3
220.08754	3.0
227.10678	1.6
228.09639	1.4
230.07135	1.4
231.08002	14.4
232.08714	3.4
233.09691	1.4
236.08237	1.4
239.10718	1.5
247.07608	3.4
248.08269	6.9
251.10692	4.7
255.14055	1.9
258.06866	2.0
259.07553	10.5
260.08307	4.3
261.22034	1.7
263.10724	6.9
265.08545	2.8
276.07779	6.3
277.08591	4.8
279.10126	3.6
280.10663	1.9
291.10104	17.7
292.10846	4.3
293.08212	2.5
295.13062	2.0
299.12769	1.4
308.10330	2.6
311.12741	11.9
323.12726	32.4
325.14413	9.2
335.12878	1.4
385.42456	1.4
583.33722	2.3
658.53516	1.7
763.40918	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	762.5569
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	1.3
57.07073	54.2
57.82890	0.4
59.04996	13.3
68.70146	0.5
69.03465	0.5
69.07066	1.4
70.08430	2.5
71.08627	48.4
73.02897	1.4
73.06549	5.2
83.08618	1.8
85.10177	44.0
86.10517	0.8
87.04465	17.9
89.06025	100.0
91.07580	1.0
93.07064	0.9
95.04934	0.5
97.10117	0.5
99.11737	4.6
103.07571	7.2
107.07082	3.1
113.05988	0.9
117.09138	5.3
129.94386	0.4
130.08635	4.3
131.07011	6.5
131.10721	0.6
133.08597	74.1
135.10165	0.8
141.16364	4.3
153.36412	0.5
159.10088	0.5
160.15625	0.5
161.11702	1.8
175.09657	4.1
177.11209	28.2
179.12822	0.5
195.12315	0.6
199.20537	3.5
219.12277	2.1
221.13776	5.3
223.15422	0.5
239.14799	1.1
243.23195	4.0
265.16440	0.9
283.17590	1.9
309.18924	0.7
327.20123	1.0
353.21674	0.6
389.09814	0.5
547.33118	3.7
604.81879	0.6
762.54761	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	762.4476
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.8
54.52769	0.9
55.01862	2.1
55.05507	37.0
57.03425	3.5
57.07069	22.0
59.04995	11.7
61.02911	2.2
67.05495	11.5
68.99801	1.4
69.03432	10.5
69.07063	100.0
69.79066	4.9
70.06594	4.6
70.07402	1.1
71.04988	5.8
71.08620	1.6
71.81776	0.8
73.02906	2.8
73.06547	2.2
73.34499	0.9
79.05482	2.7
80.01443	0.8
81.03411	11.7
81.07055	14.1
83.04966	2.3
83.08613	93.6
85.02901	21.6
85.06541	2.9
85.08114	0.8
86.09702	1.0
87.00822	7.8
87.04450	6.2
89.06022	76.8
91.03938	1.1
91.05471	2.9
93.07039	3.7
95.04971	2.8
95.08605	12.7
97.02888	8.2
97.06519	1.8
97.10158	21.4
99.04445	3.3
99.08080	2.8
101.06081	1.0
103.03906	0.9
103.07584	2.7
105.01862	6.4
105.07045	2.6
107.07062	3.1
107.08611	3.2
109.02851	9.6
109.10152	10.3
111.04417	2.0
116.07088	1.0
117.01804	0.9
117.09120	2.8
117.33580	1.1
119.08581	2.0
120.08092	1.6
121.06492	1.5
121.10081	1.3
123.11706	5.8
125.13266	15.7
127.03911	10.9
130.08635	1.8
131.07030	2.7
131.08572	1.3
133.08597	56.6
133.10158	1.9
135.11644	1.4
137.02655	1.0
137.05997	2.1
137.13235	1.5
139.11229	0.9
139.14851	1.4
143.14354	2.6
145.04973	3.3
145.10117	2.7
147.10133	1.2
147.11658	1.3
149.13297	0.9
151.09642	0.9
155.14310	1.2
157.15921	1.2
159.02859	2.6
159.11707	1.9
165.09149	1.7
165.16399	3.9
167.07027	2.2
175.09712	2.9
177.11223	30.5
177.12718	1.5
183.17496	2.6
191.07080	1.0
191.12785	2.5
195.12241	2.6
197.19000	2.7
201.18465	12.7
219.12265	1.9
221.13788	6.6
231.04915	1.9
239.14880	17.8
241.21619	7.5
257.19070	1.3
265.16522	1.7
275.20090	1.1
279.18011	3.9
283.17496	27.0
289.09088	1.7
297.19012	9.6
323.20676	4.0
327.19940	0.9
337.22095	1.5
341.21515	4.9
349.23682	5.2
355.23099	1.3
456.26413	0.9
479.35745	39.5
497.36765	7.6
762.30261	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	760.5768
Annotation	Unknow
Peak:m/z	Relative Intensity
54.75834	0.8
55.05496	2.9
57.03420	2.0
57.07068	100.0
58.07396	1.3
59.04994	31.7
59.31337	0.9
67.05518	1.4
69.07051	2.6
70.05443	4.4
71.08622	72.1
73.05347	0.7
81.07054	2.3
83.08610	1.1
84.25659	0.7
85.10172	61.7
87.04451	6.8
89.06020	40.2
90.01933	1.0
95.08611	1.0
97.10153	3.5
98.21338	1.0
99.11726	11.4
101.09660	2.2
107.07065	1.9
111.11705	1.4
113.13297	3.8
117.09126	11.2
118.57076	0.8
130.08649	2.2
131.06998	2.0
133.08589	28.9
135.10121	0.9
147.10214	0.8
151.99124	0.9
155.17915	6.8
174.44324	0.8
176.22711	0.8
177.11218	12.3
178.11482	0.8
184.07336	0.9
205.06013	1.0
213.22104	13.2
221.13869	1.8
225.46669	0.8
229.87839	0.8
247.38716	0.9
254.24799	1.0
271.26270	15.8
327.20242	1.7
371.22351	1.3
415.25275	7.2
473.29636	1.1
619.45776	1.3
707.66614	1.0
760.56854	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	758.5684
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05038	0.6
58.06628	0.5
59.07375	0.2
60.08161	5.7
70.91653	0.3
70.91984	0.1
71.07367	2.8
71.78246	0.1
81.07043	0.2
86.09701	25.5
87.10009	0.3
95.08587	0.2
98.30677	0.1
98.98457	2.7
104.10738	2.0
116.99492	0.2
124.99995	18.0
143.01009	0.3
166.02646	0.2
184.07332	100.0
185.07649	1.1
192.89182	0.1
280.28757	0.1
496.33566	0.2
758.56934	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.4452
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	3.9
55.05490	11.7
56.64890	3.5
57.07050	11.5
59.04996	4.4
62.00287	3.7
67.05500	24.1
69.03428	6.8
69.07069	17.4
71.76093	5.6
79.05481	24.1
81.07047	51.9
83.04955	6.1
83.08615	7.5
91.05470	38.2
93.07034	63.2
95.01262	5.7
95.04956	13.2
95.08591	43.8
97.06538	4.5
105.03369	6.6
105.07015	77.0
107.04914	6.5
107.08579	59.8
109.06496	18.0
109.10152	29.7
117.07018	18.0
119.08567	100.0
121.06485	8.8
121.10131	39.5
123.08076	25.1
123.11640	11.1
125.05937	4.9
128.06181	8.5
129.06981	12.0
130.07759	9.1
131.08548	42.0
133.10120	61.6
134.10522	3.8
135.08005	11.8
135.11665	29.8
137.09601	8.3
141.07005	8.1
142.07733	16.5
143.08539	38.4
144.09319	10.9
145.06436	5.6
145.10114	70.6
146.10445	4.7
147.06975	3.4
147.07953	17.9
147.11684	23.8
148.08417	3.8
149.05925	15.6
149.09567	7.7
149.13281	3.8
151.07539	33.1
153.05608	3.4
153.06964	5.6
155.08539	13.9
156.09319	14.7
157.10136	45.4
158.10913	9.3
159.08022	11.1
159.11662	42.2
160.12218	4.0
161.09534	8.5
161.13213	10.1
163.11221	16.4
165.05391	4.1
165.06918	6.1
165.09073	20.4
167.08487	6.8
168.09261	5.2
169.10114	25.0
170.10817	9.0
171.11674	38.0
172.12369	4.9
173.09636	6.9
173.13220	27.4
175.11159	14.2
175.14804	33.1
177.09033	4.6
179.08426	5.3
180.09404	4.1
181.10095	12.1
181.12138	9.2
182.10922	9.0
183.11659	27.0
184.07368	7.0
185.09641	6.5
185.13234	23.4
186.13988	4.5
187.11134	8.7
187.14754	16.2
189.12737	14.8
190.13434	14.8
191.14230	10.9
193.10107	8.4
193.12215	8.7
194.10783	8.5
195.11662	15.2
196.12473	6.8
197.13255	19.4
198.14021	3.7
198.98763	4.4
199.11142	6.4
199.14801	9.3
201.16380	11.3
203.14304	10.6
207.11646	10.6
207.13765	20.4
208.12648	5.3
208.14583	14.4
209.13196	20.3
209.15166	10.7
211.11296	5.1
211.14818	16.4
213.16396	7.7
219.17459	5.1
221.13292	9.8
221.15347	33.7
223.14755	11.3
225.16313	8.0
229.12228	4.7
231.14873	3.4
232.12688	4.2
233.13229	5.4
235.14632	9.6
239.17928	5.0
249.16370	7.7
255.13783	4.4
261.16422	5.3
263.17960	4.3
265.19366	4.3
291.12158	4.4
307.11917	5.0
325.21582	3.8
351.26685	9.9
352.23904	7.5
391.17261	13.2
452.14124	3.5
487.23196	9.2
504.36020	23.9
548.48816	4.2
553.27808	5.3
583.41669	5.5
584.41699	12.2
592.70227	3.8
599.75397	4.2
741.42859	7.8
759.44611	73.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	758.5683
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05031	0.6
57.07065	0.1
58.06327	0.1
58.06632	0.5
59.07384	0.1
60.08159	5.1
69.07057	0.1
69.88409	0.4
69.88828	0.1
70.06564	0.1
71.07367	2.8
71.07760	0.1
80.03136	0.1
81.07043	0.1
86.09699	26.9
87.10017	0.2
94.36049	0.1
95.08603	0.1
98.97803	0.1
98.98457	2.8
104.10734	1.8
109.86897	0.1
116.99456	0.1
121.07823	0.1
124.99994	18.3
129.98276	0.1
143.01077	0.2
166.02626	0.1
184.07332	100.0
185.07648	0.7
381.00851	0.1
496.33698	0.2
758.56964	1.9
759.56659	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	758.5684
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05031	0.7
58.06627	0.5
59.07383	0.1
60.08157	6.1
67.05489	0.3
70.06562	0.1
70.91644	0.1
71.07365	3.7
71.08660	0.1
72.78365	0.1
80.66154	0.1
80.97405	0.1
81.07056	0.1
86.09696	30.5
87.10035	0.3
95.08601	0.1
98.97800	0.2
98.98455	3.6
104.10731	1.9
124.99989	22.1
126.00350	0.1
143.01038	0.4
165.09186	0.1
166.02675	0.2
184.07326	100.0
185.07672	1.2
257.86206	0.1
276.39896	0.1
372.33054	0.1
397.76492	0.1
464.03204	0.1
496.33627	0.2
608.76941	0.1
758.56793	1.8
759.57153	0.2
787.30035	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	758.5038
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.0
55.01864	1.4
55.05506	14.5
56.08089	0.4
57.03428	6.5
57.07072	2.5
59.04989	1.3
61.02921	2.7
65.03926	1.7
67.05497	61.1
68.05807	0.7
69.03416	1.6
69.07063	12.4
71.04984	22.0
71.08614	0.7
71.65560	0.7
73.02898	0.6
73.06551	0.6
77.03938	0.6
79.05484	35.3
81.03407	1.7
81.07047	90.8
82.07391	0.8
83.04973	3.8
83.08616	7.5
85.02893	2.1
85.06529	7.8
85.10187	0.6
89.13401	0.4
91.03956	1.2
91.05467	26.2
93.07034	39.2
94.07374	0.7
95.04939	4.5
95.08596	27.3
97.02897	1.7
97.06514	4.7
97.10149	2.8
99.08066	1.2
105.04496	0.7
105.07014	15.5
107.08578	20.2
109.06509	1.8
109.10147	13.3
111.08071	2.0
111.11744	0.5
113.09657	0.6
115.05442	0.6
117.07006	5.4
119.08578	9.1
121.10126	16.0
121.10973	1.0
123.08096	1.7
123.11697	13.4
125.09612	1.0
129.07005	0.8
131.08559	8.4
133.10118	16.9
135.11678	9.5
137.13246	0.7
143.08565	1.0
145.10112	4.8
147.11685	4.8
149.09593	1.0
149.13229	6.6
151.11165	6.3
153.12737	1.3
157.10097	0.5
159.11656	6.8
161.13255	3.4
163.14815	1.2
169.12225	1.6
171.11679	1.1
173.13229	2.3
175.14862	1.0
177.12729	2.1
179.14365	0.9
183.13800	3.5
184.07333	1.6
185.13268	1.0
187.13292	4.6
187.14848	1.7
195.13814	2.1
199.14821	0.9
201.14827	1.2
201.16472	0.7
213.14799	0.9
225.14743	0.6
227.16356	2.5
243.15915	0.8
243.21037	0.8
253.17915	1.2
257.17450	2.2
259.20694	0.8
261.22095	3.1
269.17426	6.3
301.20053	20.3
313.25311	0.7
317.24869	1.4
333.24185	0.6
335.25769	27.0
336.26093	0.6
361.27197	0.7
411.32639	1.8
429.33115	0.6
437.34164	1.6
455.35187	0.6
485.36008	4.7
503.37253	100.0
504.37427	4.3
504.43726	0.5
511.38150	1.1
517.38812	4.6
529.38843	15.1
530.39020	0.6
561.41443	87.7
562.41718	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	758.504
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	3.6
55.01857	3.0
55.05507	15.5
57.03437	9.4
57.07072	4.6
65.03948	2.8
65.42036	1.7
67.05499	70.5
68.90278	1.8
69.03418	9.6
69.07065	12.6
71.04980	21.8
71.08636	2.1
73.02909	2.2
79.05481	32.2
81.03403	15.4
81.07046	100.0
83.04974	5.2
83.08609	8.1
85.02902	6.4
85.06533	15.9
91.05469	29.3
93.07034	39.1
95.04968	7.8
95.08589	27.0
97.02876	5.1
97.06527	5.2
97.10156	2.5
99.04456	2.8
99.08086	1.8
105.07014	15.3
107.05009	2.3
107.08592	24.0
108.04512	1.9
109.02883	8.9
109.10139	15.5
111.04433	5.8
111.08073	3.7
117.07017	7.2
119.08570	9.9
119.77047	2.3
121.10157	17.0
123.11716	16.0
124.44305	2.0
126.83322	2.0
127.03902	8.1
131.08560	11.5
133.10115	20.8
135.11656	10.8
145.10143	7.1
147.11690	4.6
149.13246	12.8
151.11200	6.8
157.10115	2.1
159.11667	16.7
161.13268	6.6
173.13295	3.3
177.12717	20.5
179.14314	7.6
184.07341	7.8
187.13312	16.1
187.14784	3.5
205.15895	2.6
243.15912	57.5
249.14691	2.5
251.16376	3.3
261.22116	6.1
269.17459	70.7
301.20114	10.0
313.16394	40.7
335.25742	7.3
337.27151	2.8
338.84314	1.9
339.18057	6.8
369.24295	2.8
371.20529	9.4
463.06830	2.2
503.37344	16.2
506.05496	2.0
517.38983	2.7
529.38983	3.8
561.41437	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	757.2173
Annotation	Kaempferol 3-glucosyl-(1->3)-rhamnosyl-(1->6)-galactoside
Peak:m/z	Relative Intensity
53.03934	0.4
55.01855	0.2
55.05505	1.0
57.03429	1.0
59.05011	0.2
61.02908	0.6
67.01844	0.4
68.99799	0.4
69.03420	2.7
69.72601	1.5
70.06590	1.1
71.04675	0.2
71.04989	2.8
72.08143	0.2
73.02917	0.3
75.04460	0.3
76.42211	0.2
79.67627	0.2
81.03398	1.0
83.04970	7.1
84.04457	0.3
84.08125	0.4
85.02895	10.2
86.09716	0.2
87.04446	0.3
91.05460	0.4
94.50150	0.2
95.04944	0.3
97.02888	2.3
99.04440	0.3
102.05524	0.2
103.05421	0.3
106.15936	0.2
107.04920	0.2
109.02866	0.5
110.07087	0.2
111.04433	3.3
119.04855	0.3
121.02831	0.3
127.03909	1.8
129.05464	2.8
131.04982	0.2
135.04395	1.4
137.02313	1.4
145.04912	1.3
147.06464	0.5
153.01813	3.1
161.02313	0.6
163.03926	0.2
167.03319	0.3
171.02861	0.5
179.03384	0.4
191.03271	0.3
201.05478	0.3
203.03383	0.3
207.02843	0.3
213.05444	0.2
217.04944	0.3
230.10826	0.2
236.52171	0.2
241.04948	0.6
245.04474	0.4
255.08614	0.5
263.05569	0.2
269.04266	0.4
272.07169	0.2
273.09595	0.4
283.05957	0.7
284.06802	0.2
287.05466	100.0
288.05771	1.9
297.07260	0.2
299.05478	3.3
300.06296	2.0
307.06317	0.3
309.07327	0.2
310.04654	0.3
311.05450	2.0
313.07047	1.3
321.80020	0.2
323.05392	0.7
324.06204	0.3
325.07040	1.4
329.06531	9.2
330.06790	0.3
337.07016	0.8
338.07715	0.4
339.04895	0.3
339.08664	0.3
341.06436	2.0
349.06958	0.3
351.08423	1.1
352.05917	0.2
353.06491	2.9
356.22736	0.2
361.07355	0.3
365.06506	0.5
367.08163	0.5
370.91293	0.2
371.07513	0.7
379.08029	2.3
381.09674	0.4
391.08130	0.6
395.07486	1.1
397.09137	4.9
407.07654	0.4
409.09070	0.4
415.10220	1.3
419.07779	0.2
425.08789	0.3
427.10187	0.3
431.09579	0.3
433.11432	1.0
437.08792	0.5
449.10727	0.8
455.09610	0.4
457.11090	0.5
463.09958	0.4
473.10809	1.4
475.11588	0.2
481.11313	0.6
491.11700	2.1
499.12527	0.3
511.12155	0.4
515.11847	0.6
541.13019	0.7
559.14355	2.9
577.15448	1.9
595.16516	5.6
721.19250	0.4
757.22192	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.2174
Annotation	Wyomin
Peak:m/z	Relative Intensity
55.01842	1.1
55.17675	0.6
57.03383	3.4
61.02882	1.6
68.99774	0.7
69.03424	9.5
71.04984	10.7
71.21016	1.6
71.21391	0.6
71.24661	0.7
72.35385	0.6
81.03363	1.8
83.04946	0.7
85.02898	17.3
87.04455	0.7
91.05474	0.6
97.02831	1.8
103.03885	1.1
107.04915	0.9
109.02801	1.7
111.04409	1.4
121.02786	1.9
127.03856	1.3
129.05438	1.9
135.04443	3.6
137.01318	0.8
137.02333	14.2
141.01808	0.9
147.04420	0.7
149.02350	0.7
161.02318	4.1
161.05811	0.7
163.03821	2.2
165.01822	6.8
165.85541	0.6
167.03351	2.5
177.01801	1.6
179.03365	1.7
181.04921	1.4
183.02856	4.2
187.03885	1.7
189.01762	1.6
191.03307	2.2
195.02913	2.7
201.05435	0.8
203.03334	2.2
205.04881	1.7
207.02870	2.7
215.03345	1.1
217.04924	0.9
219.02899	2.7
221.04413	1.5
229.04933	1.7
229.09058	0.6
231.02921	1.0
231.06429	0.6
233.04437	1.5
239.03529	0.7
241.04961	1.4
245.04398	1.3
248.66980	0.7
255.06526	1.9
257.04498	1.6
259.05899	1.1
269.04428	0.8
271.05948	1.1
273.21112	0.6
279.06659	0.8
283.05997	8.1
286.04678	2.8
287.05475	12.4
295.05954	3.3
296.06720	0.8
297.07565	8.7
299.05472	100.0
300.06210	10.0
307.05997	2.1
309.07559	1.9
310.04688	8.2
311.05496	25.3
311.09015	2.1
312.06079	2.4
313.03745	1.2
313.07001	5.0
321.07584	3.5
323.05527	16.4
323.09094	0.7
324.06274	7.3
325.03671	1.6
325.07022	31.0
326.07681	0.8
329.06531	84.4
330.06857	1.9
334.04324	0.7
335.05554	3.0
335.09094	0.8
336.06250	1.2
337.07031	10.6
338.07867	2.7
339.04730	1.4
339.08612	17.1
341.06531	14.5
347.08939	1.2
349.07019	7.0
350.07874	1.3
351.04892	1.0
351.08527	3.7
352.05826	1.6
353.06516	68.5
354.06885	1.1
355.08096	1.5
359.09006	2.9
361.07141	1.1
363.04596	0.9
363.08652	2.9
364.09427	1.0
365.06500	18.8
367.08133	11.2
371.07635	7.5
375.08676	3.9
377.06488	14.9
377.10892	1.4
379.08124	4.7
381.09851	0.9
383.07568	26.9
385.07352	0.9
389.06479	1.0
391.08078	8.5
393.09695	3.8
395.07590	40.9
396.07983	1.0
397.09348	1.7
403.08124	8.8
405.09824	1.2
407.07611	1.7
409.09265	3.5
413.08630	22.0
417.09702	1.6
419.07578	2.7
421.09149	17.7
425.08401	1.5
427.10199	0.7
431.09741	47.2
432.10071	0.7
433.09241	0.9
437.08676	2.2
439.10165	12.6
443.09589	1.1
445.09225	2.2
449.10779	17.6
455.09747	2.6
457.11249	8.9
459.10797	0.9
461.09430	1.0
463.10202	3.0
473.10754	5.9
475.11905	2.5
479.10144	0.7
481.11334	1.2
487.10382	1.5
491.11865	10.3
493.11603	0.7
497.10754	6.3
499.12357	1.0
505.11490	1.9
511.12292	0.8
515.11914	6.5
523.12354	4.4
533.12848	4.2
541.13385	20.3
541.21393	1.1
545.12488	4.4
557.13019	5.6
559.14172	4.8
575.14026	1.4
577.15594	2.6
583.14563	1.7
587.13489	1.2
589.16046	1.0
593.14899	9.4
595.16437	1.6
601.15466	14.7
605.14996	2.1
611.16046	2.4
619.16449	10.9
635.15656	3.7
637.17755	1.6
653.17224	2.6
659.16309	2.3
661.18060	0.8
677.17297	2.4
685.17950	1.1
703.18616	15.1
721.19763	5.1
739.21039	3.5
757.22925	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.2172
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03420	4.9
60.93841	2.3
61.02913	3.8
65.57420	2.2
68.73782	2.6
69.03421	9.6
69.60619	2.5
70.06591	5.8
71.04975	9.8
71.71947	3.0
81.03410	4.0
84.08142	3.8
85.02895	24.8
91.05477	2.2
94.44823	2.5
97.02894	5.4
100.11783	2.6
107.04932	3.3
109.02882	3.5
119.04986	3.9
121.02855	24.3
129.05415	2.6
135.04408	5.1
137.02332	17.4
145.02786	3.7
161.02290	3.8
163.03864	4.3
165.01831	5.9
175.03781	2.6
177.01814	2.8
183.02827	3.9
189.01831	5.3
189.05319	2.5
191.03403	5.3
195.02818	4.1
203.03264	5.3
205.04890	3.0
207.02910	8.5
215.03355	2.9
217.04985	4.3
219.02904	7.2
219.06935	2.2
225.03952	3.7
229.05048	4.3
233.04507	5.0
245.04398	3.3
257.04474	3.0
261.03937	3.7
267.06613	2.4
268.07483	3.1
279.06427	5.7
281.07986	3.4
283.05981	17.8
284.06775	2.3
285.03888	3.8
287.05493	51.7
293.08136	2.8
294.05164	16.4
295.05991	47.6
295.09268	4.3
296.06659	7.4
297.07492	14.8
299.05499	67.0
300.06201	8.1
307.05972	38.5
307.78989	2.3
308.06845	12.1
309.07602	15.2
310.04691	8.9
311.05472	31.5
311.08905	5.0
312.05954	3.4
313.03757	2.5
313.06927	13.6
319.05997	5.5
321.07538	21.2
322.08154	12.4
323.05457	23.5
323.09180	6.6
324.06195	9.9
325.03760	3.5
325.07016	100.0
329.06522	56.1
330.06937	3.0
333.07416	7.3
335.05408	4.1
335.09091	10.3
336.06082	3.9
337.07031	63.1
338.07660	7.3
339.05145	3.1
339.08713	13.2
341.06488	22.2
345.07059	2.9
347.09131	10.9
349.07108	29.7
351.04858	5.0
351.08578	23.6
353.06540	42.9
355.08170	15.1
361.06946	14.7
363.08661	8.0
365.06427	20.8
365.10281	5.9
367.08282	13.8
371.07538	5.9
373.06958	5.7
375.08517	10.6
377.06439	13.6
379.08112	39.6
383.07553	15.5
391.08197	29.0
393.09653	4.0
395.07632	29.3
397.09042	3.7
403.08029	22.6
407.07422	8.2
409.09195	23.1
413.08701	20.1
417.09579	2.8
419.07617	4.2
421.09198	22.1
425.08652	2.9
427.09692	7.6
431.09848	33.1
433.09653	3.1
437.08768	3.2
438.67517	3.4
439.10056	17.6
445.09741	2.6
449.10812	16.7
451.10519	2.5
455.09515	3.0
457.11124	24.3
463.10223	5.8
473.10422	4.5
475.11325	8.6
481.11154	15.8
487.11499	7.3
491.11563	9.1
499.12366	6.3
505.11295	3.0
511.12222	7.3
517.13477	9.1
523.12079	10.3
529.13074	4.5
541.13257	31.3
545.13239	3.8
557.12885	4.7
559.14734	17.5
571.14551	16.9
577.15344	9.4
587.13947	3.8
589.15497	19.4
593.14679	5.7
595.16492	4.8
601.15839	14.5
607.15570	5.1
611.16119	5.2
617.14276	2.9
619.07141	4.1
619.16547	60.5
620.16406	2.6
635.15582	8.2
637.17084	15.1
643.16003	9.4
661.17773	14.1
673.17303	13.1
685.17474	13.5
691.18243	6.3
703.18524	17.2
715.68469	2.5
721.19067	15.2
739.19720	9.8
757.21246	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	756.3211
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.8
55.01868	1.3
55.05499	2.9
56.05032	5.1
57.03416	2.6
57.88397	0.7
57.98795	1.3
58.99581	12.7
61.01135	1.0
61.02921	4.9
65.03939	1.1
65.79962	0.8
67.05498	17.7
68.05007	1.7
69.03425	1.3
69.07072	4.7
70.02935	1.4
70.06264	0.8
70.06587	9.0
70.71887	2.8
71.04967	1.9
72.83978	0.7
73.01141	1.6
73.02893	1.7
74.00637	1.1
76.02224	33.3
76.03986	2.1
78.04685	0.8
79.05482	9.7
80.04995	2.7
81.03397	2.3
81.07049	22.8
82.06576	2.1
83.04977	2.2
83.06099	6.9
83.08614	4.5
84.04496	11.4
85.01102	2.5
85.02912	4.6
85.06525	2.1
86.00644	6.8
86.99046	5.6
87.02679	2.4
88.02203	3.7
91.03943	1.9
91.05468	9.1
93.07038	16.1
94.06552	3.0
95.04951	3.1
95.08593	7.9
96.04479	1.8
96.08099	1.5
97.01115	11.1
97.02870	3.5
97.06526	4.1
97.10154	1.1
99.02660	2.4
99.05552	1.9
99.08089	2.1
100.02191	0.8
102.05543	5.1
105.07020	5.7
107.08581	8.3
108.08105	0.7
109.06505	0.8
109.10139	2.3
111.02660	13.6
111.08064	2.7
112.02222	0.8
112.03932	1.1
113.00566	0.8
113.04215	1.0
114.03749	2.1
114.05540	1.0
115.02110	1.0
116.01666	27.4
116.07088	11.1
117.07018	3.8
119.08578	2.0
120.08113	1.2
121.06509	1.3
121.09366	0.8
121.10104	4.6
123.02671	2.8
123.11707	1.6
124.02196	1.2
125.04198	1.1
126.05493	1.4
127.02068	1.2
127.05863	0.7
129.06566	8.3
130.05005	5.7
130.06432	0.7
131.08548	7.6
133.10120	6.7
134.06024	1.0
135.08044	0.8
135.11681	4.9
136.03941	2.5
137.02391	1.1
137.04178	8.1
137.09566	1.6
141.03789	0.9
141.04790	1.7
142.03189	6.6
142.05013	0.9
143.02730	1.7
144.01131	10.2
145.06108	1.4
147.11688	1.3
149.04170	1.4
149.09628	1.0
149.13252	11.7
151.05737	2.2
151.11162	3.1
153.06584	1.2
157.10078	1.2
159.09216	0.7
159.11670	8.5
161.04147	1.1
162.02194	26.0
163.03941	0.8
165.07341	1.1
168.13786	0.9
170.02655	4.1
173.13306	2.5
175.11157	0.8
176.06969	1.0
177.12741	7.7
179.04842	28.6
181.06061	1.7
183.08354	0.9
183.11684	1.2
186.07634	1.2
187.05316	4.0
188.03796	1.0
189.03328	3.0
190.15880	1.2
191.08896	2.6
193.06169	0.9
194.15398	2.9
195.13768	4.0
198.14888	1.3
199.07277	1.1
201.12863	0.9
204.08669	1.1
205.06467	1.1
206.15405	1.3
207.12000	1.8
208.06067	1.1
209.09993	2.0
212.16405	1.1
213.14894	1.2
215.04913	3.0
217.10478	3.2
218.15378	1.6
223.11485	0.9
224.14510	1.1
224.16547	1.9
225.13010	1.3
226.12595	2.7
233.05956	4.7
235.11484	6.8
243.16188	1.2
245.05913	2.4
252.14095	14.7
253.12560	2.0
268.19159	1.5
269.17453	21.3
270.15137	5.4
270.17737	0.9
280.13782	1.8
286.20227	1.5
289.04941	2.0
291.06393	1.5
298.14737	2.0
299.05600	1.6
300.06467	1.2
308.09036	8.3
313.07056	1.1
326.17941	2.4
327.16510	2.6
329.06558	8.7
344.18674	6.3
355.16730	2.6
362.19974	4.2
372.18277	1.6
373.17947	1.5
380.20779	1.8
381.18405	1.1
399.19489	1.4
413.08795	1.2
427.19055	1.4
429.20547	13.7
430.19006	2.5
447.21588	100.0
448.21951	4.5
465.22626	17.0
466.22726	0.9
501.22714	5.7
502.22214	1.8
513.22791	1.4
519.23633	15.6
520.23566	0.9
558.24591	5.0
576.25873	17.4
577.25018	1.2
593.14813	2.0
594.26910	61.2
595.27386	4.1
609.26910	1.3
611.15948	2.8
625.63489	0.9
636.27588	1.1
642.33655	0.9
681.28546	1.5
756.32281	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	755.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
55.76441	1.3
56.05011	1.5
56.96551	1.6
57.03436	1.2
57.89557	1.1
61.02909	2.2
65.44431	1.3
69.03408	3.9
70.06577	4.9
71.51291	1.2
71.72442	2.8
73.02891	2.3
73.71198	1.4
81.03424	4.0
84.04499	2.1
84.08125	2.5
85.02902	9.1
91.05467	2.0
95.04996	1.3
97.02879	4.0
97.62487	1.1
107.04955	2.3
109.02846	4.7
125.70940	1.7
127.03904	2.7
135.04401	6.6
137.02327	15.4
144.08051	2.0
154.81010	1.5
159.25572	1.5
161.02341	3.9
179.03354	3.2
185.48909	1.7
189.01816	4.0
191.03407	3.1
195.02876	8.0
199.03870	1.9
203.03357	8.7
205.01324	8.7
207.02858	9.1
215.03290	1.5
217.04868	6.4
219.02879	2.2
221.04419	4.4
223.02351	2.3
227.03438	3.6
229.04950	3.2
231.02885	1.5
233.04233	1.4
235.02385	3.8
243.02910	1.7
245.04344	2.3
255.02885	3.3
261.03912	1.5
270.05255	1.6
273.03964	4.0
283.05750	2.5
295.05972	5.7
297.07474	1.5
299.05490	9.4
310.04520	8.4
311.05457	71.5
312.06049	5.8
313.06897	6.6
315.05469	1.9
321.07333	1.9
323.05463	22.8
324.06113	8.5
325.03323	8.0
325.07047	20.2
326.04172	17.2
327.04840	4.7
329.06467	5.0
333.07532	3.2
335.05383	3.8
336.06146	3.7
337.07043	26.1
338.04196	6.9
338.07690	1.8
339.04965	100.0
339.08380	3.7
340.05557	9.8
341.06519	38.7
347.05414	2.9
349.07129	7.1
351.04840	10.0
351.08627	14.2
352.05533	3.0
353.02603	2.3
353.06522	22.8
354.07025	2.1
355.04242	1.7
357.05859	1.6
361.07050	5.0
363.04733	2.3
363.08557	7.9
365.02313	2.5
365.06540	25.7
366.07239	2.4
367.04263	6.1
367.08234	8.9
369.06030	80.2
370.06409	3.9
371.07428	2.1
377.06461	14.9
377.10498	2.0
379.04007	1.3
379.08057	29.7
381.05734	11.4
383.07547	3.4
389.06458	8.9
391.04282	4.3
391.08777	6.5
393.05844	24.2
395.07767	9.7
397.09427	1.8
401.06442	1.7
403.07932	1.8
405.05978	6.1
407.07510	23.1
409.09146	2.1
411.06772	2.3
417.05817	12.5
419.07501	6.5
421.05060	1.8
423.07062	17.3
425.08621	16.8
433.09277	2.2
435.06995	16.3
437.08618	6.5
443.09515	8.8
447.07086	3.9
451.10406	2.6
453.07986	10.3
455.09668	21.2
461.08414	2.4
471.09436	3.7
473.10864	18.2
475.10336	1.9
477.08160	2.1
479.09540	11.0
491.09875	4.3
497.10748	48.1
498.10934	4.0
501.10086	6.4
503.09912	4.2
509.10513	3.3
521.10803	7.8
527.11462	6.9
531.11230	11.3
534.57123	1.6
539.11749	20.7
546.17902	1.6
557.12939	29.7
558.13141	3.2
575.13739	14.1
585.12366	30.5
586.12634	1.8
587.13318	4.2
597.12299	4.6
605.14783	16.5
615.13281	6.2
617.14471	5.5
633.13507	1.8
635.15918	27.8
636.16614	2.1
657.39691	1.7
659.15942	35.7
660.15985	3.0
671.15662	5.3
683.15118	2.8
689.17047	11.7
701.17059	9.0
719.18030	22.4
737.19208	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	754.3426
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	0.5
57.32875	0.4
58.29493	0.4
65.03922	1.4
66.04695	0.5
68.85870	0.4
70.06591	2.2
71.75081	0.5
79.05478	1.4
84.08113	0.9
86.09690	0.9
91.05466	5.3
94.04201	2.1
95.04951	1.3
103.05471	3.2
105.07027	1.7
107.04952	1.8
109.06491	1.0
110.07150	0.5
111.04424	0.4
115.05465	1.0
117.06973	0.6
119.04947	4.6
120.05742	0.4
120.08067	0.9
121.06503	1.6
122.03632	6.8
128.06233	0.7
129.06992	0.7
131.04929	6.0
131.08594	0.5
133.02840	1.6
133.06467	1.7
135.04387	3.8
135.08018	0.7
136.05200	0.7
137.05962	100.0
138.06279	1.0
141.06958	0.5
143.08513	0.9
145.06458	1.8
146.02127	0.5
146.03561	0.6
147.04395	2.5
147.08049	1.6
149.05977	4.0
151.03954	0.9
151.07524	18.1
153.06848	0.5
157.06401	1.0
159.08023	1.4
160.05193	0.6
161.05960	6.5
163.07530	12.9
165.05618	0.5
165.06964	2.0
165.09087	1.9
167.07013	1.6
167.08420	0.8
171.07945	1.1
173.05907	0.5
174.06718	1.2
175.07538	5.4
177.05489	0.9
177.06995	0.4
177.07623	0.6
177.09050	3.4
178.07787	0.6
179.07001	0.8
179.08421	1.0
181.06448	0.8
182.07283	0.9
187.07495	2.5
189.09120	2.9
191.06975	0.5
191.08626	0.6
193.06487	1.5
194.07292	1.9
195.07994	2.2
196.08850	0.4
198.06657	0.5
199.07455	0.7
201.09088	1.8
203.10632	3.6
205.06570	0.9
207.08000	0.7
208.08818	0.5
209.09503	0.8
210.06766	1.8
211.07469	1.1
213.09042	1.6
215.10602	0.5
219.08054	1.1
219.10164	2.3
221.05945	2.3
221.11720	1.1
222.06671	1.1
223.07527	0.8
224.08270	1.0
225.09061	2.6
227.07086	0.5
227.10609	2.0
231.08022	0.8
233.05946	0.8
233.09563	0.7
234.06778	1.2
235.07425	1.2
236.08116	0.5
237.09108	1.5
238.06326	0.9
239.07010	0.9
239.10680	0.9
240.07805	1.0
241.08423	0.5
247.07495	0.7
248.08293	0.8
249.09123	1.7
250.06247	0.9
251.06902	0.5
251.10753	0.7
252.07729	0.8
253.08565	2.5
254.09244	0.8
255.10207	1.1
258.10593	0.5
259.09616	0.7
261.09113	0.7
263.10751	1.0
264.07660	0.6
265.08493	3.9
267.06699	0.5
267.10098	2.9
268.07236	2.6
269.08163	0.5
269.11728	0.7
271.09741	0.6
277.08478	2.8
279.10162	1.5
281.11627	0.7
282.08752	0.9
283.09662	5.6
284.10504	0.5
285.11227	5.3
287.12808	3.7
289.08517	0.5
291.10114	1.7
292.10809	0.5
293.11676	0.9
294.08832	0.5
295.09637	1.6
296.10455	0.5
297.11182	9.1
299.12939	3.0
301.08597	0.4
303.10117	0.6
305.11761	1.4
307.09891	0.5
307.13315	1.7
309.11151	4.1
311.12778	3.7
313.14212	0.7
315.12244	1.5
317.11588	0.9
321.11203	1.9
323.12750	3.0
323.15985	0.5
325.14310	1.0
335.12766	1.7
337.14273	1.1
339.15802	0.7
341.13840	0.9
347.12750	0.5
349.14526	1.1
351.15891	2.8
361.14151	0.8
363.15863	0.8
367.15518	1.1
369.17014	1.8
379.15271	0.7
381.16797	1.2
397.15601	0.5
426.19449	0.5
433.16132	0.5
443.19095	0.5
447.18008	1.3
467.18454	0.6
473.19647	1.2
475.21487	1.0
485.19595	1.3
487.21182	0.6
489.19360	0.8
491.20493	1.6
493.22537	2.0
497.20599	1.4
499.20898	1.4
503.20599	1.5
505.22470	0.6
511.21127	1.7
517.22461	2.8
521.21301	2.0
529.21985	1.9
535.23431	0.5
623.26135	1.7
635.25800	0.9
641.27234	1.9
653.27814	2.4
659.27832	0.9
671.27899	0.9
755.27600	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	754.2329
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.5
55.01870	2.4
57.03410	1.5
61.02905	1.0
65.03927	1.0
68.55126	0.3
68.99763	1.4
69.03421	10.9
70.06560	0.8
71.01341	0.4
71.04970	0.8
71.27914	0.6
73.02892	2.3
73.77649	0.3
79.05486	4.2
81.03406	8.7
84.08111	0.4
85.02894	8.9
86.01353	0.3
86.09682	0.7
87.00815	5.1
87.04405	0.4
91.04910	0.5
91.05468	7.9
93.03390	0.6
93.07035	0.7
94.04185	1.2
95.04956	3.4
97.02890	4.1
99.04454	3.2
102.04675	4.2
103.05455	10.0
105.01856	1.7
105.03352	1.0
105.07024	3.3
106.06517	1.7
107.04943	5.6
109.02151	0.7
109.02866	7.1
110.03645	3.3
111.04417	1.0
115.03953	0.3
115.05425	1.6
116.04960	0.4
116.06200	0.7
117.01836	0.9
117.03324	0.3
118.04155	0.7
118.06519	3.1
119.04926	3.7
121.06490	1.0
122.03622	2.1
123.04405	3.5
125.05977	5.4
127.03898	7.6
129.01817	0.9
130.04143	4.4
130.06526	0.7
131.04912	11.7
132.04405	0.7
133.02911	0.4
133.05191	0.3
133.05569	0.4
133.06474	2.8
134.06004	1.9
134.07172	0.6
135.04305	0.4
137.04753	2.2
137.05952	26.6
143.07257	1.8
144.04434	0.9
144.05527	0.4
145.04962	1.2
146.03618	2.6
146.05994	5.2
147.04390	6.7
149.05940	2.8
151.07538	0.5
152.07047	53.4
153.07112	0.6
158.06021	2.1
159.02841	1.7
161.05962	8.9
162.03104	0.4
162.05550	0.6
162.06731	11.3
162.08022	0.6
163.06253	0.7
163.07513	1.9
164.07083	0.5
165.05513	0.6
170.06004	1.3
171.06766	1.6
176.07092	2.1
177.05458	1.5
177.07832	0.4
178.06187	1.1
178.08640	4.5
179.07079	0.7
179.09441	0.9
180.07996	1.6
180.10187	3.4
181.06482	0.9
187.06003	0.7
188.04659	0.5
189.05453	0.3
189.06926	0.4
190.08678	0.6
191.07072	0.8
191.08546	1.3
192.04135	2.7
193.04941	5.6
193.06567	0.5
195.06380	0.4
197.08301	0.5
204.06494	0.4
206.07948	0.7
206.09743	0.7
207.06415	0.4
207.08142	0.6
208.07509	2.1
213.09084	5.3
217.06247	0.4
218.07222	0.6
219.08078	1.8
225.07686	2.9
231.06573	4.4
234.06976	0.6
234.09109	2.3
235.07501	0.8
239.10605	0.3
240.10165	25.2
241.10541	0.5
245.05850	0.4
247.07469	0.8
249.09138	1.0
250.08409	0.3
251.10602	0.8
253.07700	0.4
262.06238	0.6
262.08752	0.8
263.06979	0.6
264.10361	0.6
266.11813	1.3
268.09583	1.8
276.10275	0.4
277.08661	0.8
279.08871	0.3
280.09793	0.5
281.08167	0.4
286.10687	7.1
294.11148	3.3
295.09366	0.6
295.12140	1.0
297.07889	0.3
312.12302	0.9
313.13260	0.4
323.09109	28.1
324.09592	1.1
355.11652	3.1
488.17056	7.0
506.18051	100.0
507.18369	3.1
513.67181	0.3
668.22760	0.6
710.24457	7.2
710.36658	0.4
711.24866	0.4
754.23291	23.2
755.23492	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	752.3111
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	1.7
55.01860	1.5
69.03422	1.2
70.00416	3.7
70.06583	9.0
72.08160	1.9
73.77915	0.9
79.05471	2.2
81.03414	1.1
84.08131	3.2
85.02901	3.0
86.09711	2.5
87.05582	1.0
89.03918	0.9
89.58559	0.8
91.05469	12.7
93.07072	0.9
95.04960	3.1
97.02873	1.2
98.20556	0.9
102.04655	0.8
102.05531	1.2
103.05456	40.1
105.07021	19.9
105.58792	0.9
107.04955	2.8
107.61467	0.9
110.07162	1.1
111.04426	1.1
115.05441	4.0
119.04924	15.2
121.06508	1.5
127.74631	1.0
129.07021	1.3
129.10245	2.0
130.04141	1.3
131.04913	100.0
131.65443	0.8
132.05339	0.8
133.02832	5.2
133.06470	18.5
137.05959	25.6
137.06996	1.6
141.19185	0.8
143.05992	1.3
145.06548	1.5
147.04391	6.6
147.08080	1.1
149.05995	2.8
151.07491	5.7
153.05467	3.8
159.08014	2.4
161.05962	57.7
162.06653	2.1
163.07532	55.4
165.05414	2.3
172.05219	3.2
172.13519	0.9
175.07524	7.0
176.07832	1.4
177.05501	2.1
179.07019	9.5
187.07549	13.5
188.08165	1.0
189.09088	2.0
199.07552	1.8
205.08647	2.3
217.08534	5.4
219.08095	1.4
249.09044	1.7
251.10474	1.7
261.09177	1.0
265.08627	1.4
277.08478	1.8
279.10095	1.9
283.09790	0.9
285.11176	1.6
291.10049	1.3
295.09213	1.0
297.11221	2.6
303.10159	1.2
307.09671	2.0
309.11221	8.3
310.12015	1.3
311.12701	8.1
315.12396	2.5
321.11200	2.4
323.12772	1.8
327.12198	9.7
335.12918	0.9
339.12436	1.8
340.12943	1.8
357.13571	1.0
358.14120	1.4
489.18365	6.4
501.18689	1.3
519.19995	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	751.2437
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.2
55.01871	3.3
57.03419	2.3
60.04509	1.4
61.02908	2.3
65.03934	0.6
66.04720	0.5
68.99769	0.9
69.03425	13.3
70.06593	4.0
70.94048	0.5
71.04975	1.4
71.75804	0.8
72.08134	0.9
73.02908	2.4
79.05490	1.3
81.03408	10.9
81.07040	1.7
83.01344	0.5
84.04497	1.0
84.08133	1.6
85.02897	23.3
86.09694	2.1
87.00816	6.6
87.04453	1.1
91.05454	3.7
91.78849	0.5
94.04157	2.9
95.04949	0.9
95.08594	0.5
97.02887	8.5
99.04458	3.7
103.05454	5.2
104.06239	1.3
105.01853	4.5
105.07020	3.8
107.04944	2.0
109.02154	0.8
109.02866	9.5
109.06531	1.5
109.18033	0.5
112.36698	0.5
113.53419	0.5
115.03917	1.0
115.05434	4.2
117.01820	1.2
117.07053	2.5
119.04910	1.0
119.08551	4.0
119.27150	0.6
120.08073	0.7
121.06493	1.0
122.03638	6.5
123.00894	0.5
127.03907	14.6
127.04846	0.7
128.06215	2.6
129.01862	1.2
129.07027	3.5
131.04916	8.5
132.05713	3.4
133.06502	3.8
135.77667	0.5
137.05963	100.0
138.06329	1.7
141.07005	1.1
143.04900	1.4
144.05659	1.1
145.04916	4.2
145.06456	1.7
146.03645	1.1
147.04405	0.9
147.08026	6.4
149.05997	1.6
151.03899	0.9
151.07515	0.6
159.02866	4.3
159.08046	2.6
160.05151	3.4
161.05969	17.4
161.07326	0.9
162.07634	2.3
163.07524	15.8
169.06447	1.6
171.08000	1.2
172.05144	0.8
173.06050	0.6
175.07530	62.3
176.07913	1.4
177.05421	0.6
179.07037	1.2
184.05212	1.6
185.06029	0.7
186.06714	0.6
187.07527	7.6
189.05453	0.8
189.09081	1.1
190.07780	1.5
191.06961	1.1
191.08525	5.8
193.06473	0.6
199.07527	9.9
201.09152	2.4
202.07759	3.5
203.06828	1.2
203.08516	7.6
205.06660	0.6
215.08717	0.6
217.08656	1.5
218.07318	1.2
219.08035	8.6
220.08780	3.2
221.09506	0.6
229.08600	1.2
231.05037	2.1
231.08058	8.8
232.08675	2.5
233.09549	1.1
235.07378	1.1
235.11212	1.2
236.08258	1.3
237.03012	0.5
245.09567	0.8
246.06593	0.6
247.07523	4.6
248.08261	6.1
249.09125	1.4
250.09860	0.8
251.10654	10.0
258.06876	0.6
259.07532	5.8
260.08298	2.2
261.09039	1.5
262.09906	0.6
263.10654	5.1
264.07764	1.5
264.11307	0.6
265.08655	1.7
271.07397	0.6
273.08984	1.1
275.07071	1.3
275.10339	0.6
276.07913	3.2
277.08514	2.2
278.09311	0.8
279.10120	7.2
280.10846	1.4
287.10605	0.7
289.08514	0.6
289.69470	0.5
291.06894	1.1
291.10135	16.9
291.13348	1.0
292.10806	2.2
293.08102	1.6
293.11417	0.9
295.09512	1.1
295.13223	1.1
296.10605	0.7
303.10110	1.3
305.11597	0.7
308.10373	2.7
309.11194	0.8
311.12762	23.9
312.13046	0.7
315.10175	1.1
321.11197	1.8
323.12741	31.3
324.13223	0.8
325.14349	5.7
330.26129	0.7
333.11087	1.4
335.12839	3.0
337.14157	0.7
341.13504	0.8
347.12665	0.6
353.13785	1.9
365.13766	1.4
367.15247	0.5
369.11441	0.5
377.13651	0.8
401.13693	1.6
419.15073	0.9
422.10699	1.7
431.45224	0.6
431.93195	0.5
541.17010	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	751.1747
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96294	1.0
56.96556	10.5
58.67594	0.7
60.04506	2.0
70.06602	2.7
71.03984	1.6
71.95247	0.6
81.03393	0.9
84.04500	0.9
84.96027	7.9
85.02882	1.3
86.09706	1.0
91.05458	4.0
97.96795	4.5
98.97570	34.4
102.97076	1.6
105.06963	0.8
107.72227	0.6
110.97553	6.2
112.02141	0.8
112.99100	1.9
115.97824	2.4
116.98608	23.7
125.16735	0.5
128.98592	12.5
131.00159	4.1
131.04919	0.7
133.98885	0.9
134.99643	10.3
137.05925	5.1
140.98610	1.8
143.00140	4.8
144.98079	2.4
145.01807	0.6
146.99628	9.2
147.08186	0.6
149.01213	2.3
152.98534	3.0
153.00671	1.0
155.00148	1.3
158.01262	1.1
158.99632	8.1
161.01184	7.0
162.07628	1.9
162.99133	2.5
163.07547	1.0
165.00781	1.2
165.02180	1.4
170.99651	6.5
173.01225	4.8
175.07520	3.7
177.00693	13.9
179.02275	1.1
179.03773	0.6
183.03268	2.3
185.01137	0.7
189.00682	4.7
189.02235	1.3
191.02292	2.1
195.01756	2.0
200.02095	0.8
201.00691	3.9
207.01341	1.0
207.03268	18.6
219.01712	21.9
225.04341	9.0
230.04868	0.7
233.04729	0.6
235.02812	1.1
237.02783	39.1
239.05957	0.6
242.03214	1.4
242.68100	0.6
243.01688	0.6
249.04291	2.6
255.03883	1.9
260.04404	2.2
267.05490	1.7
291.05450	0.8
309.06387	29.2
311.12915	1.0
323.12753	0.9
325.14261	0.6
327.07477	100.0
328.07895	1.1
330.26132	1.0
350.09103	6.6
351.07455	27.6
369.08533	51.6
370.08881	0.9
392.09979	3.6
393.08469	3.5
395.06467	13.1
411.09573	11.0
413.07608	1.3
422.10278	1.4
579.17346	0.7
590.29401	1.2
621.18286	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	750.3112
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	4.1
60.79597	1.6
70.06577	8.9
70.29161	6.2
79.05491	3.4
80.16670	1.4
81.07018	1.8
84.08141	3.0
86.09695	5.1
91.05473	15.2
94.04185	3.1
95.04951	6.5
98.20715	2.0
103.05452	14.5
105.07013	7.4
107.04932	6.8
109.06490	2.0
111.04384	1.7
115.05457	6.0
119.04918	5.3
119.08549	3.6
120.08111	3.0
121.06472	7.3
122.02735	1.8
122.03619	6.9
128.06227	2.8
129.06952	5.2
131.04909	26.7
132.05690	2.9
133.06462	7.8
134.03629	4.0
135.04388	2.3
137.05959	100.0
144.05682	4.8
145.06462	5.3
147.04401	6.2
147.08009	3.3
149.05968	15.4
151.03886	8.2
151.07544	5.0
153.07010	2.1
155.04863	2.5
156.05615	2.6
159.04454	1.6
159.08044	12.9
160.05247	2.8
161.05951	43.4
162.06726	8.3
163.07492	15.3
165.07030	4.1
167.06961	2.2
167.08513	2.0
171.04378	2.2
172.05206	3.9
173.05959	3.0
175.07527	21.9
177.05444	2.4
177.09258	1.6
178.07742	2.7
179.06990	4.8
179.08536	4.5
181.06442	3.4
181.28200	1.8
183.04393	2.2
184.05316	2.5
185.05919	2.8
187.07512	33.7
189.06947	3.0
189.08994	2.5
190.07672	2.8
191.07008	2.5
191.08548	5.3
193.06451	3.2
194.07266	3.1
195.08051	3.4
199.07549	15.0
201.09059	2.2
202.07761	3.9
203.08574	3.7
205.06586	3.5
205.08543	10.9
206.07259	5.9
207.08014	5.7
209.09528	1.7
210.06755	3.1
211.07629	2.6
217.06557	3.6
217.08575	11.9
218.07243	5.9
219.08011	10.9
221.06044	3.0
221.09525	6.0
223.07462	5.5
224.08347	2.8
225.09077	3.3
231.08002	4.6
232.08864	2.5
233.05913	3.4
233.09659	3.7
234.06795	5.1
235.07452	8.6
235.09563	3.3
236.08301	4.0
237.09146	3.9
239.06779	2.1
239.10567	1.9
244.08784	1.8
245.05881	2.6
246.06898	3.3
247.07501	12.3
248.08414	3.2
249.09032	11.2
250.09831	3.1
251.07018	4.5
251.10689	6.2
253.08531	3.7
255.10188	2.1
259.07498	2.5
261.09106	7.2
262.06058	2.3
262.09937	2.6
263.06976	5.3
264.07840	3.1
265.08545	14.5
266.09314	2.1
267.10178	5.7
273.08875	2.0
275.07077	2.1
275.10577	4.7
277.08490	10.1
278.09335	5.2
279.10065	6.2
281.08466	3.3
281.11734	4.7
283.09628	5.5
285.11411	10.6
289.08398	3.7
290.09073	2.7
291.09982	3.7
293.11700	2.9
293.96790	1.8
294.08853	3.4
295.09714	6.5
297.11127	11.8
299.12686	4.0
303.10132	3.5
307.09634	6.0
309.11197	41.9
310.11865	5.4
311.12793	16.7
320.10458	2.5
321.11230	18.6
322.12006	4.9
323.12695	4.4
325.10638	3.0
327.12271	42.4
333.11127	2.3
335.12921	14.6
337.14310	2.1
339.12289	1.9
340.13132	5.1
346.04196	1.6
347.12814	8.7
365.13724	2.8
377.13660	3.3
431.13895	2.0
433.16553	4.1
445.16513	3.8
463.17288	6.0
506.18912	3.0
607.22925	6.0
619.23138	7.7
631.23041	2.5
637.24091	4.2
649.23749	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	749.2539
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.7
55.01875	0.5
56.05024	0.5
57.03424	2.1
58.96363	0.4
58.99568	2.5
59.04981	0.5
61.02906	0.6
68.05023	1.2
69.03417	1.9
69.69579	3.3
70.06597	0.7
71.04984	7.6
73.02900	0.6
74.02418	1.2
76.02222	12.1
76.03984	1.4
79.05482	2.4
79.09158	0.5
80.05008	3.7
81.03418	1.3
83.04951	0.9
84.04497	17.3
85.02898	12.5
86.00657	2.3
86.99059	1.1
87.04452	0.5
88.02229	0.6
97.02867	1.5
98.20738	1.0
98.21397	0.9
102.93533	0.5
105.03371	1.0
106.06544	6.0
107.04948	4.2
108.04427	0.8
111.04424	0.9
112.03983	1.4
114.03738	4.1
116.01672	7.3
116.02429	0.7
116.04967	12.2
118.06500	0.7
124.02145	1.5
127.03920	0.8
129.05437	0.8
130.04999	7.6
130.06523	0.6
132.04480	0.5
133.07594	3.0
134.06000	14.0
140.03479	0.5
141.04825	1.0
142.03209	50.1
143.02728	1.4
144.01140	3.2
144.08093	1.5
151.08649	3.2
152.07001	0.6
154.06500	0.7
156.08080	3.5
157.06056	1.7
157.07515	1.1
162.02188	5.1
169.04280	2.8
170.02699	19.6
171.09151	7.1
172.07545	1.1
179.04884	3.1
181.10693	0.5
185.07089	1.3
187.05350	3.0
188.03784	1.2
189.03236	2.1
197.03850	1.5
199.05414	3.9
199.08661	9.9
200.07097	1.6
202.08698	1.0
208.08194	0.5
215.04846	4.5
216.28662	0.5
217.09727	1.3
218.08156	2.0
227.04802	3.6
227.08122	3.4
233.06020	0.8
235.10670	0.5
243.04282	1.0
245.05948	12.2
245.09244	12.0
246.07626	1.8
263.10248	17.2
273.05539	0.6
291.06522	2.1
302.09134	0.5
321.08939	0.6
322.53470	0.4
349.08630	0.6
374.94867	0.5
376.28821	0.5
406.10632	0.7
423.12698	0.5
425.15387	2.5
441.14328	17.4
463.18640	0.5
585.18719	0.6
603.19604	100.0
604.19940	2.6
749.25482	14.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	748.5407
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	1.3
57.07071	39.0
59.04720	1.2
59.04996	16.1
67.05482	1.2
69.03412	0.6
69.07053	2.5
70.78591	2.2
71.08624	72.8
72.61745	0.7
73.02917	1.4
73.06555	5.2
79.05491	0.8
80.41290	0.7
81.07058	1.2
83.08582	1.6
85.10174	36.7
86.09737	1.1
87.04459	18.3
89.06023	100.0
91.05492	1.0
93.07034	1.0
95.04968	1.1
97.10163	1.0
99.64030	0.7
103.07565	5.8
107.07054	3.9
107.08554	0.9
113.06021	1.0
117.09134	5.1
127.14838	4.2
130.08629	4.5
131.07021	6.7
133.08594	76.2
134.08945	0.8
135.10173	0.8
151.09628	0.8
161.11722	1.5
167.17934	0.7
175.09663	3.7
177.11212	27.0
184.07330	1.8
185.19040	4.0
219.12276	1.8
221.13824	4.7
229.21638	3.7
237.97838	0.7
239.14893	1.0
265.16409	0.7
283.17505	2.2
309.19080	1.5
311.20752	0.7
327.20050	1.1
364.02551	0.7
427.17172	0.8
547.33118	4.2
634.12225	0.7
748.54736	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	746.5619
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	2.1
56.09804	0.6
57.07073	100.0
59.04999	19.4
60.08165	0.8
60.45726	0.6
66.18597	0.6
67.05508	1.6
68.06213	0.6
69.07081	2.0
70.91180	1.6
71.08629	69.7
71.13174	0.7
73.02920	0.8
73.06557	2.5
79.05508	1.0
81.07059	1.7
83.08630	2.4
85.10179	52.8
86.09706	3.8
87.04462	11.4
89.06029	61.5
91.05489	0.9
91.07650	0.6
93.07056	1.1
95.08656	1.0
97.10167	3.0
99.11733	10.9
100.07621	0.7
101.09682	1.4
103.07541	0.8
104.51408	0.6
107.07088	1.9
107.44714	0.7
109.10181	0.9
113.13307	4.2
117.09120	4.3
118.72449	0.7
124.03076	0.7
125.00003	1.8
130.08678	2.0
131.07028	3.8
133.08598	45.4
134.83249	0.6
150.14952	0.7
153.48999	0.6
155.17940	8.3
173.11934	0.7
175.09679	2.8
177.11227	18.5
184.07332	9.7
208.03908	0.6
213.22115	13.5
219.12334	1.2
221.13966	2.7
239.15025	1.4
254.24962	0.8
265.79550	0.7
271.26385	4.2
283.17661	2.1
304.84595	0.7
305.23529	0.7
327.20285	1.1
339.78448	0.7
371.22913	0.7
415.25473	0.8
459.27991	7.3
499.31610	0.9
746.55957	1.5
747.43219	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	744.3064
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41515	0.1
53.03935	0.5
55.01864	0.2
55.27432	0.1
60.04503	0.1
70.06583	0.6
71.53657	0.1
72.08142	0.1
72.34930	0.1
77.03918	0.3
79.05483	1.1
81.03385	0.1
84.04498	0.1
84.08125	0.2
86.09689	0.3
91.05470	0.1
95.04956	1.6
105.04506	0.3
107.04943	100.0
108.05260	0.8
120.08055	0.1
129.10280	0.1
130.06638	0.1
131.04916	0.2
134.68217	0.1
136.07574	0.1
137.05972	0.4
145.08607	0.1
155.91708	0.1
161.06030	0.1
163.07625	0.1
167.07025	0.1
175.07559	0.1
213.09061	1.2
297.13214	0.1
337.66226	0.1
340.33188	0.1
445.61182	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	743.3256
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	5.2
54.94248	4.5
55.01870	6.5
55.05499	14.7
56.70941	3.4
57.07064	10.0
67.05496	25.7
69.03409	7.8
69.07055	9.8
69.94282	12.4
69.94695	10.0
70.06571	12.2
71.04995	5.4
72.08156	3.8
73.15958	3.9
79.05468	18.1
81.03411	14.0
81.07057	32.3
82.07415	3.7
83.04955	5.1
83.08625	9.0
85.02911	6.9
85.10159	7.3
87.92337	4.2
91.05470	14.3
93.07034	18.3
95.04958	8.4
95.08611	22.2
97.02890	7.8
97.06522	4.8
98.20752	5.1
105.07034	11.7
107.04972	5.2
107.08567	11.9
109.02856	7.9
109.10156	13.1
113.09622	4.9
117.06971	4.2
119.08550	10.2
127.03873	4.6
131.08470	5.6
133.10106	6.1
135.04410	7.3
137.02301	31.1
137.09578	5.5
147.11676	4.1
149.13237	4.6
161.02304	4.3
163.11241	6.2
165.01917	4.8
165.09102	6.2
166.24092	3.7
179.03209	5.4
189.01866	9.3
195.02885	5.1
203.03395	12.5
207.02887	10.6
217.04913	7.0
221.04404	7.0
283.06018	5.0
287.05475	21.8
295.06174	5.5
297.07333	4.9
299.05487	35.0
300.05969	7.8
301.06540	4.5
309.07358	5.8
310.04697	9.7
311.05472	75.2
313.07065	28.4
323.05508	88.7
324.06171	19.2
325.07037	30.1
329.06638	9.9
335.05493	7.3
336.06232	4.6
337.07068	58.8
338.07510	10.4
339.08701	6.8
341.06522	9.2
349.07083	12.6
351.08594	30.8
353.06534	6.3
361.07071	8.1
362.07742	4.3
363.08411	6.3
365.06534	31.4
367.07608	5.8
368.57220	4.1
375.08609	5.0
377.06427	14.3
379.07657	6.0
381.13412	6.7
389.06277	7.2
393.13223	54.1
394.13568	5.4
407.07324	7.4
407.14883	5.7
419.14755	4.4
423.14133	14.0
433.16428	10.6
435.13864	8.1
446.50809	4.3
447.14386	15.9
449.15601	8.7
459.14267	11.4
459.35010	4.9
475.17334	12.2
477.15445	10.1
481.18811	5.4
503.20645	4.6
563.26276	6.0
569.25305	5.5
575.26276	42.5
581.27380	29.5
587.26270	28.9
593.27313	61.3
605.27362	48.1
611.25848	7.9
623.28479	67.9
629.27338	21.3
641.26862	5.5
647.28516	100.0
653.26733	10.6
659.28381	30.6
671.28302	38.4
677.29633	18.2
689.29279	50.2
707.30426	41.2
725.31342	11.8
761.95062	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	743.3263
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.8
55.01871	4.1
55.05502	9.1
57.03431	2.6
57.07064	6.7
67.05495	21.9
68.99783	2.6
69.03417	3.8
69.07056	10.4
70.06580	3.3
71.05013	3.6
71.72809	2.0
79.05495	16.9
81.03403	8.2
81.07056	25.1
82.07392	2.1
83.04964	4.8
83.08602	7.3
84.08157	2.1
85.02908	4.5
85.06526	2.2
85.10175	6.0
91.05452	11.7
93.07032	12.3
95.04955	6.9
95.08595	11.5
96.93991	1.9
97.06470	3.6
97.10151	4.2
98.09668	1.9
102.92225	1.8
105.07031	10.6
107.04963	4.0
107.08578	7.7
109.02832	2.2
109.06495	4.5
109.10155	7.4
113.09682	3.2
117.07024	2.4
119.08557	6.3
121.02869	4.0
121.06511	2.4
123.08040	3.1
131.08572	3.1
133.10120	4.4
135.04407	8.5
135.11705	3.1
137.02339	29.4
137.03409	3.5
137.05934	2.3
141.01813	4.2
145.10129	3.7
147.11667	3.0
149.02303	2.9
149.09615	5.3
151.03935	2.2
151.11224	1.9
159.04430	2.8
161.02357	5.0
163.03929	3.6
165.01837	10.6
165.09052	2.9
165.12767	6.7
167.03392	2.3
171.11665	2.4
174.63240	2.2
177.01894	4.1
179.03384	5.4
181.04897	2.6
183.02856	9.4
187.03973	3.4
189.01845	6.0
191.03419	3.2
191.14778	2.1
195.02872	6.6
203.03403	6.7
207.02919	4.3
215.03311	3.6
217.05035	3.0
221.04509	2.0
229.04985	2.0
233.04466	2.3
241.04930	4.4
255.02905	3.0
255.06685	2.4
261.04010	2.0
275.20236	2.6
277.21722	5.4
283.05975	12.7
286.04861	5.1
287.05444	10.0
295.05960	9.8
297.07471	10.8
299.05487	84.0
300.06259	14.2
301.07019	4.8
310.04672	16.9
311.05478	94.9
312.05884	2.3
313.07022	19.2
321.07544	3.5
323.05475	43.9
323.08881	2.7
324.06195	20.6
325.03384	3.9
325.07040	44.3
329.06534	34.4
333.07870	3.0
335.09015	2.4
336.06250	3.9
337.07104	35.5
338.07794	4.6
339.04871	4.2
339.08627	16.8
341.06464	7.6
349.07150	13.5
349.23929	2.3
350.07794	4.3
351.05087	3.7
351.08661	15.3
352.05618	8.5
353.06546	24.4
361.06927	3.2
362.07867	3.1
363.08670	12.7
365.06546	18.9
367.08017	2.3
375.08624	13.2
376.05533	3.7
377.06482	20.9
377.10037	3.1
379.08038	6.3
387.08557	3.2
389.06152	4.0
389.10593	4.3
395.07742	13.5
395.14911	2.8
407.14893	4.9
417.16971	4.1
421.16071	2.8
422.69049	3.5
433.16245	3.1
435.18332	4.0
445.16144	3.5
447.17914	6.1
449.15939	4.7
459.34674	4.9
475.17413	12.3
491.16739	2.4
493.18613	4.1
529.18488	3.0
529.25854	11.7
535.19672	2.9
559.19666	3.0
569.25189	9.5
575.26343	100.0
576.26416	3.2
581.27264	8.9
587.26410	32.0
593.27338	28.2
595.21918	3.0
605.27448	56.3
611.26392	14.8
623.28418	31.7
629.27338	13.8
635.27081	3.6
641.27454	9.1
647.28467	77.0
653.27301	19.7
659.28558	47.4
671.28375	43.5
677.29443	3.4
689.29443	51.0
707.30615	39.5
725.31598	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	743.2016
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23673	1.2
55.01857	5.5
56.30968	1.5
57.03428	2.2
60.04510	1.5
61.02912	2.7
69.03407	5.7
70.06587	3.2
70.34080	7.1
73.02910	1.3
74.26134	1.3
78.31551	1.4
81.03395	4.8
85.02887	13.4
91.05472	1.5
93.03394	2.2
97.02876	4.5
103.03935	1.8
107.04951	3.2
109.02869	4.2
114.94411	1.6
116.07089	2.1
121.02834	2.0
129.10248	1.5
135.04404	9.6
137.02318	40.4
137.03355	3.1
140.63251	1.4
145.04916	2.5
149.29559	1.5
161.02354	4.8
163.03906	2.6
171.04382	1.5
175.03935	2.6
177.01836	2.1
179.03380	3.7
185.05946	1.4
189.01860	4.6
189.05495	1.5
191.03342	3.7
194.29602	1.3
195.02919	6.3
199.03784	2.1
201.01903	2.1
201.05458	3.4
201.70792	1.7
203.03391	14.6
205.05019	2.6
207.02835	9.0
209.04417	2.1
213.05273	1.9
215.03358	3.0
217.04955	5.2
219.02898	8.4
219.06543	1.8
221.04449	7.7
227.03407	4.1
229.05026	4.2
231.02856	2.5
233.04515	4.7
241.05020	2.7
243.02986	3.5
245.04385	4.7
247.06076	1.5
255.03120	3.4
255.06245	1.7
257.04453	2.8
259.06015	1.8
271.05988	1.8
273.04065	2.0
283.05991	4.0
284.06723	5.0
285.03979	2.5
293.07550	1.9
295.05969	4.3
296.06693	3.6
297.07516	6.5
298.39093	1.8
299.05463	10.9
300.06094	3.6
305.07712	1.7
307.05942	3.2
308.06760	2.6
309.07480	7.6
310.04669	24.7
310.08081	1.8
311.05453	80.8
311.08755	3.3
312.06165	9.0
313.07043	11.0
321.07495	3.2
323.05460	69.8
324.06161	23.0
325.03397	2.9
325.06992	25.9
329.06439	8.3
333.07581	5.1
335.05429	8.8
336.06186	10.2
337.06979	52.5
338.07782	11.3
339.04861	5.6
339.08545	7.1
341.06506	86.4
342.07071	2.8
345.07541	3.4
347.05161	2.0
347.09131	1.9
349.07004	25.4
350.07776	4.2
351.05026	2.1
351.08676	19.9
352.05554	5.3
353.06512	77.8
354.06796	2.1
355.08228	4.5
360.05948	1.7
361.07098	13.3
362.07642	2.2
363.08716	11.1
365.06491	68.1
366.06934	7.4
367.08032	32.9
369.05835	2.3
371.07803	11.5
374.07614	1.9
375.08762	3.9
377.06442	28.6
377.10400	1.8
378.07059	3.0
379.08121	21.6
381.09650	6.5
383.07468	13.1
389.06458	12.3
390.07242	2.2
391.08188	13.1
395.07550	100.0
396.07874	4.6
397.08835	2.2
401.07233	2.3
403.07928	8.6
405.09564	4.5
407.07538	61.9
408.07974	3.3
409.09055	3.4
413.08575	15.3
415.08005	2.5
417.09857	3.7
419.02109	2.0
419.07593	23.5
419.13156	2.9
421.08963	7.8
425.08591	41.8
426.09058	1.9
431.07581	10.9
433.09036	2.6
435.10718	4.3
437.08673	11.0
443.09720	40.3
445.09152	3.7
447.07108	1.8
449.08496	19.8
455.09570	10.2
461.09000	14.1
467.09631	19.0
473.10257	18.1
479.09558	4.5
485.10721	14.7
491.09674	10.3
497.10770	21.1
503.12115	7.0
509.10629	23.2
515.11658	7.7
527.11737	53.4
528.12036	2.6
533.12915	7.4
545.12787	26.3
557.12592	19.7
563.13922	12.0
569.12787	2.8
575.13910	25.7
587.13879	35.3
593.14746	5.1
599.13953	4.2
605.14874	57.2
606.15210	2.0
617.14850	7.9
623.15961	15.0
629.14984	10.0
635.15979	23.5
641.15051	3.1
647.15955	16.9
653.16193	4.8
659.15948	27.2
671.15814	8.9
677.17102	15.4
689.17059	33.5
707.17963	28.1
725.19189	11.0
743.19080	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	743.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	5.8
57.03450	2.2
59.06094	1.8
60.23801	1.7
60.41412	1.7
61.02901	4.8
68.99786	1.9
69.03416	6.8
70.06580	11.5
71.04969	2.6
71.74705	3.8
72.08157	1.6
73.02917	3.5
81.03406	10.3
84.08131	5.8
85.02897	16.3
95.04970	2.0
97.02885	10.5
97.06501	2.5
107.04933	3.6
109.02862	3.5
112.07572	4.7
113.07972	1.8
116.07082	16.2
117.03332	2.1
117.07442	1.8
121.02863	3.9
125.44954	1.6
127.03871	2.6
129.06856	1.7
135.03464	1.7
135.04401	9.8
137.02345	38.2
137.03357	2.6
147.04375	3.2
158.08127	11.6
159.04510	1.8
161.02301	6.1
161.05945	2.0
162.15594	1.9
163.03860	2.7
165.01627	1.8
167.19012	1.6
176.00977	1.7
179.03365	5.4
187.03857	2.8
189.01837	6.1
189.05603	2.7
191.03328	6.4
193.12331	2.5
195.02847	9.9
199.03984	2.1
203.03410	12.7
205.04811	2.6
207.02800	12.5
209.04393	2.1
213.05402	3.2
215.03358	5.3
217.04922	4.2
219.02901	9.0
221.04393	6.9
229.04948	5.1
231.02875	3.9
233.04323	4.1
243.02974	2.9
245.04384	4.6
255.02748	2.5
255.06424	2.1
271.05777	2.4
279.06287	2.2
283.05902	3.1
284.06650	4.7
285.16934	4.8
286.17270	3.2
287.05441	4.7
295.05951	5.5
297.07516	8.0
299.05426	12.8
300.06268	3.2
307.05978	3.1
308.06702	3.2
309.04065	2.6
309.07565	4.8
310.04660	26.3
311.05472	80.5
311.08606	2.8
312.06204	10.1
313.06989	11.5
320.06796	3.1
321.07504	5.0
323.05478	70.6
323.09085	2.6
324.06308	21.6
325.07004	24.4
328.21207	4.1
329.06641	10.8
329.21582	2.2
333.07639	2.6
335.05521	9.1
336.06229	7.6
337.03119	2.5
337.07056	40.1
338.07855	13.6
339.04941	3.7
339.08539	8.2
341.06525	99.5
342.06668	3.8
349.07065	21.1
350.07593	4.5
351.04776	3.7
351.08551	16.8
352.05634	5.4
353.06519	87.1
354.06888	4.7
355.08185	6.2
361.07028	10.8
362.07782	2.2
363.08597	14.1
365.06488	51.9
365.09888	2.5
366.07013	5.3
367.08084	28.4
368.08408	2.6
371.07654	18.1
375.08340	3.8
377.06488	29.5
378.07047	3.1
379.08063	17.5
381.09570	5.9
383.07516	12.5
389.06464	9.4
390.07144	2.7
391.08173	13.2
393.05563	2.8
395.07562	100.0
396.07977	5.8
401.06787	3.0
403.08038	6.3
405.09897	3.8
407.07532	46.1
408.07776	2.0
409.09082	3.3
413.08481	14.6
415.08032	2.7
417.09805	4.0
419.07617	28.2
421.09241	7.4
425.08664	40.2
431.07849	7.6
433.09335	3.4
435.10849	3.6
437.08578	16.6
443.09756	34.9
445.09183	4.4
449.08670	19.7
455.09668	12.3
461.09259	18.0
467.09708	16.8
473.10638	23.8
474.10623	2.2
479.09607	6.6
485.10849	20.6
491.10318	9.2
497.10773	16.8
503.11472	7.6
509.10745	23.3
515.11652	12.7
527.11804	43.2
533.12750	7.5
545.12836	34.0
557.12933	13.6
563.14160	12.7
563.27948	2.3
569.12610	3.9
575.13983	24.9
587.13831	24.2
593.14703	6.0
599.13818	5.1
605.14960	25.3
611.14368	3.0
617.14929	8.9
623.16058	21.2
629.15082	10.2
635.15912	26.6
641.14587	3.1
647.16217	19.2
653.15442	4.1
659.15814	21.7
671.15991	9.4
677.17023	10.9
689.16968	27.2
707.18121	24.7
725.19153	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	742.5819
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	5.4
56.05027	3.4
56.91289	1.3
57.07064	3.9
59.04958	1.0
60.04504	2.0
60.12157	1.2
67.05497	10.9
69.03429	2.3
69.07050	6.1
69.51931	12.0
70.06564	1.4
71.08616	2.8
76.32426	1.1
79.05485	8.9
80.05000	3.2
81.07044	10.9
82.06579	5.9
83.08607	3.8
85.02898	1.5
85.10149	1.9
91.05486	6.2
93.07026	8.1
94.06548	14.9
95.04977	1.1
95.07353	5.9
95.08595	8.9
96.08120	4.2
97.02863	1.2
105.07018	6.6
107.08600	3.4
108.08110	2.0
109.10126	4.0
119.08540	6.5
121.10126	5.8
122.09661	1.8
123.11689	1.7
133.10120	4.1
134.59384	1.0
135.11655	4.3
147.11652	1.7
167.45135	1.3
225.83623	1.1
233.22638	4.7
245.22646	4.6
250.25352	8.5
262.25272	100.0
280.26254	7.8
300.28818	7.4
532.50684	5.6
544.50830	25.6
545.50714	1.3
546.52313	4.3
562.52014	14.2
724.56268	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	742.4724
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	3.5
55.01864	2.4
55.05510	11.4
57.03432	6.5
57.07074	1.9
65.03920	2.6
67.05499	34.5
69.03416	9.6
69.07052	13.0
70.32797	5.6
70.70633	1.4
71.04975	3.8
79.05479	21.8
81.03405	13.6
81.07048	71.1
83.04956	5.4
83.08591	7.4
85.02893	7.9
85.06525	4.9
91.04920	1.7
91.05472	23.6
93.07037	25.1
95.04956	5.1
95.08598	24.1
97.02863	3.8
97.06516	6.3
97.10133	2.7
99.04454	3.3
99.08089	2.4
101.05978	1.5
105.07015	34.1
105.30787	1.2
107.04971	1.5
107.08575	17.1
109.02840	6.3
109.06487	4.7
109.10124	6.4
111.04413	1.7
111.08081	2.3
117.07011	4.7
119.08568	28.0
121.10130	19.8
121.44541	1.2
123.08053	4.1
123.11694	22.2
127.03896	15.5
127.07507	2.8
129.06938	2.7
131.08546	7.6
133.10110	8.3
135.11681	7.4
137.09584	2.0
137.13223	3.0
143.08499	2.3
145.04910	3.6
145.10085	3.5
147.11667	66.6
149.09642	2.4
149.13240	4.0
156.97498	1.3
157.10121	4.6
159.11682	4.9
161.13208	2.2
165.12737	33.6
166.13042	1.5
173.13278	2.5
175.11174	5.3
177.12619	1.3
181.87822	1.2
183.13831	6.9
193.12257	6.6
211.13271	5.2
229.14316	30.4
243.21086	2.0
253.14404	2.4
261.22101	8.4
267.15897	45.5
268.16089	1.7
285.16934	100.0
286.17319	2.3
303.23398	1.4
304.60336	1.2
335.25726	7.7
337.16431	15.0
355.17517	25.5
369.24167	1.5
373.18469	9.5
405.26358	1.5
423.27402	1.7
545.38202	4.7
653.42975	1.5
728.00940	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.3044
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	7.2
55.05484	2.9
56.05013	4.4
57.03413	4.2
58.99575	11.0
60.72341	1.8
61.01151	2.3
61.02902	4.9
67.05497	15.5
69.03407	7.3
69.04594	1.9
69.07034	4.4
70.02943	5.7
70.06584	9.8
71.04980	3.2
71.73337	3.4
72.08127	3.6
73.02877	2.2
74.00660	8.9
76.02222	38.9
76.03996	15.3
79.05470	12.8
80.05005	2.8
81.03415	4.3
81.07046	13.0
82.06564	2.5
83.04964	6.3
83.06092	9.0
83.08572	4.7
84.04494	22.7
84.08134	4.3
85.01098	4.3
85.02892	8.8
85.04022	18.7
86.00644	3.4
86.06013	2.7
86.09686	3.0
86.99035	6.4
88.02206	5.3
91.03931	2.0
91.05464	12.0
92.01679	10.7
93.07039	17.5
95.08578	4.0
97.01109	9.0
97.02872	6.8
97.06532	3.1
99.02684	2.4
99.05562	4.5
100.02206	9.5
102.05495	2.5
103.03912	2.3
105.03330	1.9
105.07008	8.4
107.04901	2.2
107.08596	9.6
109.10130	5.3
110.98949	1.8
111.02674	14.1
111.08121	2.3
112.02155	2.4
112.03932	4.8
113.03474	7.1
113.04199	3.5
114.05511	5.5
115.02084	2.5
116.01669	18.2
116.07078	2.5
117.06988	2.2
119.08533	5.8
121.10120	5.4
125.09590	3.4
129.05605	1.7
129.06573	8.9
129.10187	2.1
130.04988	34.4
131.04517	17.9
133.10100	5.5
135.11670	24.1
136.03865	2.2
137.04198	3.1
142.03183	6.3
142.04950	2.1
143.08502	1.9
144.01117	6.0
145.06047	35.2
145.10097	6.4
147.11691	2.9
149.03836	4.6
153.06586	3.1
153.12741	7.4
158.02650	2.1
160.00587	2.8
161.09518	2.5
162.02165	19.9
163.11168	17.7
167.08870	2.5
168.82782	1.8
170.02689	3.7
177.03278	100.0
179.04810	25.7
181.06041	5.6
181.12167	9.8
185.03790	6.1
187.05324	3.6
193.06003	1.9
195.08362	3.3
198.14836	3.4
199.13307	5.4
203.08842	2.4
208.05913	2.2
213.09438	19.7
215.04846	2.3
221.09859	2.9
223.11456	3.7
230.01491	2.2
231.04341	14.9
233.05870	7.0
236.05988	2.0
238.07086	3.4
238.12566	14.9
239.11017	5.4
245.05844	2.3
255.15875	19.1
256.13647	13.5
274.10312	5.6
278.05997	2.4
279.06354	6.2
280.06863	3.7
284.13028	4.3
288.06512	10.1
291.06635	4.1
292.06866	3.9
293.07846	2.9
306.07495	28.7
308.09070	6.9
309.07513	5.2
309.80121	2.1
310.07886	6.4
313.15714	2.4
320.10007	2.0
321.07440	5.5
322.08057	4.3
330.17343	7.4
334.07660	2.3
338.07083	2.2
339.08368	2.9
340.08734	2.3
341.15213	3.0
348.18204	5.5
350.10736	2.2
359.16003	2.4
364.09027	2.9
366.19067	2.7
375.08142	2.6
376.17551	4.8
393.09760	2.3
394.09821	5.1
398.09903	2.1
415.19003	14.4
416.10568	2.4
416.17258	5.2
433.20004	74.6
434.19562	2.0
441.11520	4.4
442.12125	7.6
451.21060	32.4
487.21371	11.3
505.21970	22.0
544.22888	4.5
562.16779	2.7
562.24359	21.7
580.25214	42.7
649.26678	2.5
740.70764	2.2
742.29761	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	741.3109
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.5
54.65853	1.1
55.01867	5.4
55.05504	21.2
57.03428	2.6
63.37080	1.3
67.05499	22.3
68.99796	2.3
69.07058	7.9
69.66310	4.5
69.66744	6.2
71.04975	2.7
72.32446	1.3
72.93728	1.5
79.05488	17.2
80.45752	1.5
81.03413	6.2
81.07050	20.6
83.04963	3.0
83.08627	7.3
85.02907	3.0
91.05470	18.6
93.07034	14.0
95.04958	17.7
95.08600	11.2
97.02847	1.5
97.06511	2.9
98.21545	1.8
105.04510	1.4
105.07026	10.8
107.04955	6.6
107.08606	5.7
109.02884	2.0
109.06522	2.5
109.10165	4.8
111.04436	1.4
115.05451	1.5
117.06999	3.7
119.04983	1.7
119.08558	8.2
121.02822	2.0
121.06512	2.1
121.10115	3.3
123.08022	2.2
124.81011	1.2
129.07002	1.8
130.15865	1.2
131.04913	1.9
131.08565	4.2
133.06438	1.6
133.10118	5.5
135.04404	7.6
135.08015	2.1
135.11722	2.5
137.02332	36.6
137.03349	2.2
137.09581	2.4
143.08525	1.3
145.10092	3.8
147.11694	1.6
149.02309	1.5
149.09576	3.8
159.11729	2.7
161.02351	5.3
161.06050	1.4
163.03874	4.4
163.11206	4.8
165.01797	12.0
167.03397	5.1
170.44278	1.4
175.03854	1.7
176.01039	2.4
177.01839	5.9
179.03418	5.7
183.02876	5.3
185.06007	2.1
187.03862	4.0
189.01831	6.9
190.02647	2.1
191.03383	4.8
195.02859	7.5
197.05966	1.6
201.01796	2.6
201.05449	2.2
202.91182	1.3
203.03400	9.3
205.04871	2.5
207.02910	5.5
213.05553	2.5
215.03441	5.6
215.07007	1.9
217.04930	3.7
219.02896	1.9
221.04482	3.2
227.03375	3.8
229.04980	4.3
231.02789	2.9
233.04340	2.6
237.05365	1.8
241.04953	3.7
243.02951	2.9
243.06516	3.2
245.04352	1.9
251.06996	2.1
255.02831	2.1
255.06564	5.1
257.04416	1.6
261.03995	2.3
267.06631	2.8
269.08060	2.1
270.05164	2.5
271.06012	2.3
273.03928	2.2
275.20108	3.5
279.06656	1.6
283.05963	9.1
284.06589	1.7
286.04736	5.0
287.05426	7.9
293.21436	1.5
295.06070	11.8
296.06799	2.3
297.07443	8.4
298.04651	1.8
299.05466	54.8
299.08884	2.9
300.06128	12.2
301.07010	3.6
307.06107	2.9
308.06909	3.7
309.07513	3.9
310.04688	26.5
311.05472	100.0
312.06058	5.7
313.03400	2.3
313.06955	16.6
321.07608	6.0
323.05481	46.3
323.08463	1.9
324.06210	24.7
325.07031	34.5
325.10861	2.1
327.05075	2.2
327.08597	1.6
329.06564	28.6
333.07568	5.4
335.05481	7.6
335.09039	2.8
336.06238	6.8
337.07007	42.1
337.10944	2.9
338.07590	3.0
339.04929	4.9
339.08679	11.7
340.05594	2.5
341.06534	8.2
345.07202	1.5
347.05334	2.6
347.09225	2.6
348.06259	2.9
349.07034	16.7
349.10754	1.9
350.07819	2.9
351.04898	6.6
351.08676	16.9
352.05640	13.7
352.09399	1.9
353.06500	24.1
353.10580	2.4
359.09064	3.3
361.06992	9.5
362.07861	4.9
363.04633	2.5
363.08582	19.7
364.09229	2.1
365.06546	21.7
365.10568	2.6
366.07028	1.6
373.06985	4.8
375.08609	13.3
376.05426	2.3
376.09406	4.2
377.06027	13.3
377.10687	11.2
379.07986	4.1
379.12250	2.0
383.07806	2.7
387.08658	4.4
388.09207	2.8
389.06326	5.4
389.10657	11.8
390.11038	2.3
391.07922	5.5
391.11865	4.6
393.13498	2.4
395.07419	11.1
401.10284	6.2
403.07507	2.1
403.12161	3.2
405.09503	4.8
405.13971	2.0
407.07681	3.0
413.09293	3.8
415.12006	3.1
417.13434	2.7
421.12802	4.2
429.09268	2.5
431.15097	1.5
433.12457	2.9
435.18509	2.0
443.15100	1.7
445.16827	2.7
447.14270	2.2
448.27502	1.5
457.16077	2.1
467.10916	2.4
473.15952	2.5
475.17725	14.5
481.18225	2.8
487.18060	2.2
491.16891	4.1
493.18393	5.4
501.15845	1.8
503.16678	7.5
505.18744	11.6
511.19537	2.7
515.16748	2.4
517.18555	4.3
527.24078	3.8
529.18506	2.0
533.18060	3.9
535.19226	5.9
542.18463	1.5
545.25232	2.0
555.23297	2.1
557.17499	1.9
557.25427	2.8
559.19379	3.1
561.25024	2.4
567.23535	6.5
573.24799	99.6
574.24805	7.1
577.20959	1.9
579.25854	6.0
585.24902	30.5
587.19043	2.4
591.25952	16.7
599.19000	1.7
603.25854	64.5
604.26099	4.3
609.24744	10.6
621.26880	27.7
623.26434	2.8
627.25940	15.0
633.24652	2.1
639.25690	9.3
641.28040	1.6
645.26837	75.6
646.26923	4.3
651.25757	24.4
657.26868	44.7
658.27039	3.8
669.26923	45.1
670.26788	1.8
675.28204	2.1
687.27936	41.4
688.28717	2.0
705.28931	40.6
706.28979	2.0
723.30115	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	741.3105
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	8.2
59.07077	1.7
61.36143	2.0
67.05502	18.8
69.07057	7.3
71.19852	3.6
71.20164	2.4
75.48646	1.8
79.05482	18.3
81.03405	4.0
81.07051	34.2
83.04968	2.4
85.06528	3.2
90.97890	1.8
91.05476	11.1
93.07026	8.7
93.59077	1.7
95.04946	3.4
95.08578	8.8
105.07035	9.0
107.04953	4.7
107.08597	5.2
109.10153	2.4
117.06964	2.7
119.08550	5.6
121.10138	4.9
128.06126	2.7
131.08566	2.0
133.93878	1.9
135.04399	11.2
135.11789	2.2
137.02330	47.9
137.03363	2.4
145.10120	1.9
153.36424	2.1
161.02307	3.8
165.01790	2.8
175.03952	2.9
177.01811	2.6
177.05455	2.1
179.03418	6.4
187.03949	3.8
189.01822	9.2
191.03307	3.1
193.04866	2.2
195.02898	7.4
199.03854	2.4
201.01814	3.3
201.05576	3.4
203.03346	19.4
205.04959	3.3
207.02892	8.2
211.07581	2.7
215.03372	6.4
217.04988	4.5
221.04422	6.4
227.03340	4.9
229.04982	4.7
239.07074	2.1
245.04465	2.1
255.02823	5.8
267.06564	1.9
275.20047	3.4
283.06000	2.5
284.06671	2.4
287.05624	2.3
293.21228	2.7
295.06024	7.5
296.06808	2.2
297.07663	5.1
298.04752	2.0
299.05466	24.7
300.06049	4.1
301.07053	3.7
307.06097	2.8
308.06818	4.5
309.07587	6.9
310.04785	15.7
311.05463	93.4
312.05927	6.4
313.07068	34.3
314.07632	3.5
321.07623	7.5
322.04578	3.8
323.05463	77.0
323.08817	3.0
324.06204	27.9
325.03333	4.5
325.06943	24.7
327.08682	1.9
329.06561	3.3
333.07635	7.4
334.08420	3.6
335.05380	8.9
335.09207	7.4
336.06137	12.8
337.03003	4.2
337.07022	80.5
338.04132	2.4
338.07620	10.4
339.04916	11.4
339.08765	6.8
341.06482	15.0
347.05450	3.0
347.09189	3.0
349.07028	29.0
349.11130	2.7
350.04016	4.3
350.07782	8.1
351.04861	7.3
351.08618	18.8
352.05627	5.6
353.06424	11.7
361.06989	7.7
361.10971	3.2
362.07794	5.2
363.08612	17.3
364.05521	4.6
365.06509	32.0
365.10580	3.3
366.07141	5.1
367.08224	3.6
373.06915	2.2
375.08633	18.9
376.05417	3.3
376.09488	3.3
377.06079	15.4
377.10526	10.5
378.07004	4.5
378.11157	3.9
379.07904	5.9
379.12125	12.5
381.13248	6.6
387.08597	3.4
389.06042	14.2
389.10376	7.5
390.06940	4.3
391.11771	80.9
392.12253	6.7
393.13364	9.5
395.07410	4.2
401.10532	2.8
403.07510	3.0
403.12070	5.3
405.13864	10.5
407.07574	5.9
407.15625	2.3
409.12778	8.0
415.11615	2.7
417.05444	2.4
417.13419	6.6
419.10953	2.7
420.12006	5.2
421.12711	22.3
430.14255	2.4
431.14920	9.0
433.12976	12.4
445.12753	16.7
457.12689	4.5
459.17944	8.1
469.12952	4.5
471.10562	2.6
475.13370	11.2
487.13788	8.9
499.16849	9.1
502.19949	2.3
505.19110	37.0
506.18536	2.4
517.18402	7.3
529.18610	3.7
535.19409	4.4
541.18274	9.9
557.25134	2.7
561.24615	3.6
565.18530	3.5
567.23511	4.4
573.24792	98.6
574.24957	5.6
583.19476	9.9
585.24756	44.7
586.25006	3.2
589.20538	5.6
591.25781	18.2
601.20569	8.5
603.25879	63.1
604.25922	4.8
609.24536	8.0
619.22144	2.7
621.26782	18.9
627.25708	24.7
639.25604	8.7
645.26898	100.0
646.27020	8.4
651.25647	18.7
657.26892	59.4
669.26941	54.9
670.27002	4.8
687.27991	48.5
688.27844	2.9
705.28900	49.3
723.30078	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	741.3102
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.9
55.01855	0.9
55.05304	0.2
55.05503	2.4
56.79748	0.3
57.03416	0.7
57.07048	0.4
65.03926	0.7
65.78114	0.3
67.05497	5.2
68.99775	0.5
69.03400	0.6
69.07063	3.0
69.95926	0.3
70.06587	0.5
70.75262	0.3
71.04989	0.4
71.73153	0.5
71.73514	0.3
79.05485	4.4
81.03423	1.5
81.07046	9.5
83.04955	0.8
83.08618	1.4
84.08159	0.3
85.02873	1.4
85.06503	0.3
87.08635	0.3
91.05471	4.7
93.03300	0.3
93.07032	3.9
95.04965	1.7
95.08595	4.0
95.36850	0.3
97.02862	0.4
97.06473	0.6
97.10139	0.3
105.03416	0.4
105.04462	0.4
105.07021	4.1
107.04939	1.2
107.08577	2.1
109.02868	1.2
109.06513	1.6
109.10159	1.8
111.00777	0.3
111.08014	0.4
115.05415	0.3
117.06996	1.4
119.08546	2.7
120.08883	0.3
121.02847	0.9
121.06520	1.0
121.10140	1.5
123.08044	1.0
123.11681	1.2
125.09609	0.3
129.06955	0.4
131.08565	1.7
133.10094	2.1
135.04399	1.9
135.08072	0.8
135.11681	0.4
137.02338	2.6
137.09570	0.4
141.01788	0.7
145.10123	1.3
146.44608	0.3
147.04443	0.5
147.07986	0.3
147.11696	1.6
149.02336	1.5
149.09586	0.8
149.13226	0.5
157.10101	0.4
159.11684	0.7
161.02315	1.9
161.13234	0.6
163.03925	1.4
163.11166	1.1
165.01830	3.2
165.12677	0.5
167.03392	4.2
169.10110	0.3
173.13275	0.7
175.14879	0.3
177.01790	1.7
177.05469	0.4
177.12772	0.3
179.03363	0.8
181.04794	0.3
183.02902	1.9
187.03877	0.9
187.11296	0.3
191.03349	0.6
191.14162	0.4
195.02869	2.7
201.12700	0.3
205.04947	0.9
207.02843	0.4
215.03357	0.4
233.04419	0.4
239.17972	0.4
245.04466	1.1
247.20732	0.5
255.06566	1.2
257.18829	0.5
258.05295	0.6
261.03882	0.8
271.05917	0.6
272.06787	0.6
275.20016	5.0
283.05966	8.7
284.06323	0.3
286.04678	4.4
287.05463	5.4
289.03439	0.4
293.20911	1.4
295.06027	1.6
297.07565	4.1
299.05457	22.8
300.02960	0.6
300.06232	8.5
301.06989	0.8
310.04831	0.5
311.05518	15.8
311.09082	2.6
312.05978	0.4
313.03549	0.7
313.07074	1.5
321.07547	2.0
323.05466	2.4
324.06311	2.7
325.03290	0.6
325.07028	11.5
326.07303	0.5
327.05069	0.6
328.05807	0.4
329.06516	100.0
330.06891	3.2
335.05331	1.1
337.06949	0.7
339.04562	0.6
339.08578	8.2
339.12650	0.5
341.06424	0.6
349.06967	3.4
351.05115	1.5
353.06519	20.3
365.06375	1.5
367.08124	1.3
377.06500	5.9
379.08005	0.6
383.07608	2.0
395.07571	34.8
396.07861	1.3
413.08591	2.4
431.09610	3.7
579.25671	1.1
621.26501	0.5
648.12775	0.3
651.24280	0.4
669.27161	0.5
687.27911	1.9
705.28900	2.9
723.29926	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.3105
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.0
55.01862	1.4
55.05511	3.3
57.03434	0.5
65.03923	0.9
66.91917	0.4
67.05497	5.8
68.99771	1.1
69.03416	1.3
69.07050	2.1
70.09947	2.4
71.04958	0.9
79.05486	4.9
81.03394	1.9
81.06601	0.8
81.07047	10.5
83.04955	1.1
83.08604	1.8
85.02878	1.6
85.06533	0.6
86.09705	0.7
91.05476	5.1
93.07028	4.4
94.07331	0.5
95.04976	4.2
95.08598	4.3
97.06523	1.2
97.10163	0.8
99.08081	0.8
105.03374	0.5
105.07014	5.0
107.04955	1.4
107.08593	3.1
109.02844	0.6
109.06492	1.5
109.10144	1.7
111.08060	0.5
117.07002	1.5
119.04929	0.7
119.08556	4.1
121.02882	1.1
121.06489	0.8
121.10162	2.6
123.08051	0.9
123.11691	1.2
125.09599	0.8
129.06958	0.7
131.08553	2.4
133.10097	3.4
135.04375	2.1
135.08047	1.2
135.11642	0.9
137.02335	3.8
137.09673	0.6
143.08600	0.7
145.10095	2.1
147.11664	2.0
147.60759	0.5
149.02303	1.9
149.09605	2.2
149.13219	0.6
157.10103	0.8
159.11708	1.1
161.02293	1.5
163.03873	1.7
163.11234	2.6
165.01802	3.8
167.03430	3.8
169.10031	0.5
177.01814	2.3
177.05397	0.7
179.03389	0.8
183.02867	3.3
183.93120	0.6
187.03894	0.8
191.03516	0.8
193.52336	0.6
195.02856	2.7
223.13364	0.9
243.02892	0.8
245.04366	1.2
255.06641	1.0
257.18951	1.1
258.05151	0.8
261.04071	0.7
271.06006	0.8
272.06812	1.2
275.20065	5.9
283.05948	8.1
286.04630	4.3
287.05463	18.6
293.21146	2.1
295.05984	1.4
297.07510	5.4
299.05478	33.5
300.06192	10.7
301.06821	1.2
310.04932	0.8
311.05542	19.4
311.09116	3.1
312.05966	0.6
313.03653	0.7
313.07050	1.5
321.07455	2.7
323.05359	2.6
324.06311	2.1
325.03522	0.8
325.07013	13.7
327.05109	1.6
329.06531	100.0
330.06857	3.1
335.05630	0.9
337.07001	1.9
339.04758	0.6
339.08563	7.9
341.06512	0.9
349.07025	4.1
351.05017	1.0
353.06549	26.2
354.06949	0.7
365.06570	3.2
367.08118	1.3
377.06540	5.6
378.06641	0.7
379.08078	1.0
383.07492	3.5
395.07581	28.4
396.07849	1.4
413.08649	6.8
431.09692	9.0
449.10968	1.5
508.75421	0.6
579.25928	6.2
603.25385	0.9
621.26825	1.9
669.26807	0.8
687.27435	1.4
705.28864	2.9
723.29333	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.222
Annotation	CHEBI:75438
Peak:m/z	Relative Intensity
69.03417	1.5
70.06568	2.4
71.00356	0.9
71.00698	1.1
71.04991	1.4
81.03391	1.0
84.08094	0.6
85.02895	4.4
97.02899	0.7
107.04903	0.6
109.02834	0.6
116.07080	1.3
119.04969	0.6
121.02920	0.7
129.05464	0.7
135.04370	2.0
137.02332	9.4
161.02281	1.0
165.01842	0.9
167.06929	0.7
179.03343	0.9
183.02948	0.7
191.03470	0.7
195.02864	1.7
199.03957	0.6
201.05409	0.8
203.03406	0.8
203.10864	0.6
217.04903	0.9
219.06470	5.1
229.04956	1.8
231.85007	0.6
243.06496	1.1
243.65419	0.6
245.04427	3.8
259.05942	1.6
261.07471	1.8
263.05438	3.2
271.05933	4.2
272.06735	3.9
283.06015	2.7
286.04742	1.2
287.05475	8.7
295.05960	1.4
297.07565	0.9
299.05487	38.7
300.06226	34.2
301.06921	3.2
307.06085	0.6
309.07492	1.4
311.05441	11.3
313.07059	11.7
314.07498	0.7
323.05408	1.0
324.06271	1.8
325.06924	6.1
327.04953	2.4
327.08600	1.6
329.06519	100.0
330.06784	3.9
335.09015	2.6
337.07071	2.8
339.04904	5.5
341.06519	4.5
341.10260	2.0
343.08145	2.3
351.08563	4.6
353.06519	20.5
354.07111	0.7
355.08215	0.8
359.07608	7.7
369.09628	2.6
371.07401	2.8
379.08102	11.4
393.09503	0.8
397.09152	74.2
398.09344	3.5
415.10214	25.6
416.10464	1.6
433.11270	65.6
434.11728	2.9
449.10699	2.3
491.11600	2.4
550.83423	0.6
559.14325	3.0
561.15741	0.9
577.15503	3.8
579.17017	27.6
580.17041	1.4
595.16534	47.1
596.16675	2.6
741.22089	7.9
742.22131	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.2228
Annotation	CHEBI:75438
Peak:m/z	Relative Intensity
57.03401	1.0
61.02890	0.6
68.53325	0.4
69.03442	2.4
69.07035	0.5
70.06583	2.2
71.04945	1.4
72.08111	1.1
79.01823	0.8
81.03403	1.1
83.04942	0.8
83.29030	0.5
85.02895	4.7
86.09646	0.5
91.05459	0.8
93.06994	0.7
97.02882	0.9
98.21489	0.9
107.04909	0.9
109.02830	0.6
111.04384	0.9
116.07015	0.9
118.97985	0.4
119.08552	0.4
121.02854	0.5
121.94581	0.5
127.03818	0.5
131.00140	0.5
135.04387	1.3
137.02341	9.4
137.03358	1.1
146.33728	0.4
161.02367	1.0
161.05951	0.6
165.01848	1.3
167.07033	0.8
171.02899	0.6
179.03314	0.8
183.02995	0.9
189.05437	0.5
193.70483	0.4
195.02847	0.8
203.03308	0.7
213.05653	0.5
217.04956	0.7
219.02841	0.8
219.06483	4.0
221.04451	0.6
223.92081	0.4
229.04922	1.0
230.76595	0.5
233.08293	0.6
243.06467	1.4
245.04453	3.0
255.06618	0.7
258.05365	0.5
259.05988	1.9
261.07639	2.1
263.05469	3.6
267.06494	0.8
271.05954	3.4
272.06693	3.3
283.06012	3.5
284.06689	0.6
286.04657	0.9
287.05487	10.1
295.06137	1.3
297.07565	1.3
299.05469	37.5
300.06241	30.8
301.06857	4.1
307.05838	1.0
309.07523	1.9
311.05444	11.0
312.05893	0.5
313.07065	14.2
314.07349	0.8
323.05347	1.0
323.08984	0.7
324.06238	1.2
325.07050	6.3
327.04938	2.1
327.08713	1.1
329.06531	100.0
330.06827	3.4
332.05289	0.8
333.07428	0.6
335.09177	3.1
337.07062	2.8
339.04974	5.3
339.08688	0.8
340.05649	0.7
341.06497	4.8
341.10236	1.1
343.08096	2.8
351.08658	4.9
353.06537	23.0
354.06802	1.0
355.07996	1.2
357.06061	0.8
359.07565	7.3
369.09766	2.4
371.07733	3.7
379.08069	14.4
397.09152	82.4
398.09616	3.9
399.10803	0.7
399.22015	1.0
415.10184	27.4
416.10526	1.2
433.11279	72.3
434.11734	2.7
449.10910	2.1
450.25220	0.7
461.10889	0.5
475.12369	1.0
491.11798	2.9
515.03302	0.5
559.14441	3.3
561.15894	1.3
577.15601	4.2
579.17035	29.7
580.17255	1.7
595.16534	50.9
596.17352	2.4
637.17810	0.7
741.22107	10.2
742.23199	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.2232
Annotation	Vitexin 7-O-rutinoside
Peak:m/z	Relative Intensity
55.01835	0.5
55.05497	0.4
57.03430	2.8
60.04493	0.5
61.02898	0.4
67.64423	0.4
68.99776	1.0
69.03422	13.4
70.06548	1.2
71.04984	14.4
71.05370	0.9
71.74368	0.5
72.08125	0.5
73.53548	0.3
75.04443	0.7
76.36636	0.4
78.57494	0.3
81.03384	0.7
83.04960	0.8
84.08087	0.4
85.02898	16.9
86.09647	0.4
87.04443	0.4
93.03336	0.4
95.04903	0.6
97.02883	0.6
105.03365	0.6
107.04926	0.7
109.02862	0.7
111.04458	1.8
121.02827	0.8
127.03908	0.7
129.05457	2.7
129.75746	0.4
131.04845	0.4
135.04388	2.9
137.02322	9.4
141.01787	0.8
147.04344	0.9
147.06525	0.5
149.02307	0.5
161.02319	3.3
163.03868	1.3
165.01825	4.4
167.03403	3.3
171.04320	0.4
177.01791	0.8
179.03384	3.0
181.04965	0.8
183.02852	3.2
183.04306	0.6
189.05463	0.6
191.03383	1.3
195.02908	2.2
199.03900	1.0
201.05426	1.6
203.03329	1.5
207.03075	0.6
217.04947	1.7
221.04391	0.7
227.03339	0.9
235.05878	0.6
243.06425	2.0
245.04349	3.2
255.06499	1.2
269.07895	0.4
271.05975	0.9
283.05975	9.0
286.04669	4.3
287.05432	8.3
289.03448	2.3
295.05936	0.8
297.04147	0.6
297.07529	8.5
299.05469	51.9
300.06201	9.9
301.06885	1.1
305.08035	1.1
308.06580	0.6
309.07559	1.2
310.04617	1.6
311.05453	15.6
312.05893	0.8
313.03394	0.9
313.06955	9.1
321.07629	0.7
323.05359	1.9
323.09097	2.7
324.06027	0.7
325.03641	1.2
325.07016	27.2
326.07391	1.1
327.04901	0.6
327.08597	4.7
329.06516	94.8
330.06802	2.9
333.07596	1.3
335.09088	1.8
336.06122	0.6
337.07028	10.5
338.07352	0.6
339.04962	1.6
339.08563	0.8
341.06439	1.0
341.10089	0.8
343.08112	0.5
351.08585	18.5
352.08786	0.7
353.06516	46.8
354.06985	1.3
355.08151	4.2
361.06952	3.5
365.06326	0.5
369.09604	0.9
371.07462	0.7
379.08084	57.7
380.08392	1.8
381.09708	1.0
394.07922	0.4
395.07532	0.9
397.09143	100.0
398.09409	2.9
399.10739	1.0
415.10202	34.1
416.10559	0.8
417.11978	0.9
433.11279	25.0
434.11652	0.7
441.11575	0.8
449.10349	0.4
457.11111	1.1
475.12238	2.3
491.11798	9.7
515.11420	1.8
525.13373	0.4
541.13342	0.4
543.14948	1.3
559.14423	12.1
561.16064	1.2
577.15466	7.3
578.54169	0.4
579.17224	3.7
595.16541	6.1
661.17755	0.6
705.19769	0.9
723.21350	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.2232
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01835	0.5
55.05497	0.4
57.03430	2.8
60.04493	0.5
61.02898	0.4
67.64423	0.4
68.99776	1.0
69.03422	13.4
70.06548	1.2
71.04984	14.4
71.05370	0.9
71.74368	0.5
72.08125	0.5
73.53548	0.3
75.04443	0.7
76.36636	0.4
78.57494	0.3
81.03384	0.7
83.04960	0.8
84.08087	0.4
85.02898	16.9
86.09647	0.4
87.04443	0.4
93.03336	0.4
95.04903	0.6
97.02883	0.6
105.03365	0.6
107.04926	0.7
109.02862	0.7
111.04458	1.8
121.02827	0.8
127.03908	0.7
129.05457	2.7
129.75746	0.4
131.04845	0.4
135.04388	2.9
137.02322	9.4
141.01787	0.8
147.04344	0.9
147.06525	0.5
149.02307	0.5
161.02319	3.3
163.03868	1.3
165.01825	4.4
167.03403	3.3
171.04320	0.4
177.01791	0.8
179.03384	3.0
181.04965	0.8
183.02852	3.2
183.04306	0.6
189.05463	0.6
191.03383	1.3
195.02908	2.2
199.03900	1.0
201.05426	1.6
203.03329	1.5
207.03075	0.6
217.04947	1.7
221.04391	0.7
227.03339	0.9
235.05878	0.6
243.06425	2.0
245.04349	3.2
255.06499	1.2
269.07895	0.4
271.05975	0.9
283.05975	9.0
286.04669	4.3
287.05432	8.3
289.03448	2.3
295.05936	0.8
297.04147	0.6
297.07529	8.5
299.05469	51.9
300.06201	9.9
301.06885	1.1
305.08035	1.1
308.06580	0.6
309.07559	1.2
310.04617	1.6
311.05453	15.6
312.05893	0.8
313.03394	0.9
313.06955	9.1
321.07629	0.7
323.05359	1.9
323.09097	2.7
324.06027	0.7
325.03641	1.2
325.07016	27.2
326.07391	1.1
327.04901	0.6
327.08597	4.7
329.06516	94.8
330.06802	2.9
333.07596	1.3
335.09088	1.8
336.06122	0.6
337.07028	10.5
338.07352	0.6
339.04962	1.6
339.08563	0.8
341.06439	1.0
341.10089	0.8
343.08112	0.5
351.08585	18.5
352.08786	0.7
353.06516	46.8
354.06985	1.3
355.08151	4.2
361.06952	3.5
365.06326	0.5
369.09604	0.9
371.07462	0.7
379.08084	57.7
380.08392	1.8
381.09708	1.0
394.07922	0.4
395.07532	0.9
397.09143	100.0
398.09409	2.9
399.10739	1.0
415.10202	34.1
416.10559	0.8
417.11978	0.9
433.11279	25.0
434.11652	0.7
441.11575	0.8
449.10349	0.4
457.11111	1.1
475.12238	2.3
491.11798	9.7
515.11420	1.8
525.13373	0.4
541.13342	0.4
543.14948	1.3
559.14423	12.1
561.16064	1.2
577.15466	7.3
578.54169	0.4
579.17224	3.7
595.16541	6.1
661.17755	0.6
705.19769	0.9
723.21350	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.2227
Annotation	CHEBI:75438
Peak:m/z	Relative Intensity
53.76683	0.6
55.01852	0.7
57.03416	2.3
60.04513	1.2
61.02926	0.9
69.03416	1.1
70.06581	5.1
71.04991	10.3
71.72732	1.1
72.08142	1.7
74.06070	0.9
81.03404	1.0
84.08134	1.1
85.02899	14.0
87.04414	1.0
92.79089	0.8
96.03027	0.6
97.02868	1.3
97.06570	0.6
99.04307	0.7
109.02847	1.2
111.04408	1.2
119.04887	1.7
121.02843	5.7
129.05440	1.5
141.01901	0.7
145.02834	1.9
163.03868	2.5
165.01810	7.4
167.03406	1.9
172.51715	0.6
177.01772	1.1
183.02867	4.6
187.03954	1.4
195.02928	1.4
205.04950	1.3
229.05037	1.5
233.04526	1.5
255.06436	1.0
261.03876	1.7
267.06433	6.8
270.05258	2.9
271.05957	7.1
279.06512	1.1
281.08081	8.0
283.05994	100.0
284.06555	10.5
291.06381	0.9
293.07867	1.0
295.05988	12.8
295.09592	2.6
297.04184	1.0
297.07574	2.8
299.05505	1.0
305.08047	3.0
307.05841	1.7
308.06689	1.6
309.04126	1.8
309.07532	24.9
311.05463	1.2
313.07047	80.2
313.75208	0.8
314.07309	3.5
321.07614	3.6
323.05508	0.9
323.09100	15.2
325.07040	0.9
333.07663	3.5
335.05402	1.6
337.07025	43.0
338.07474	2.4
339.08807	1.2
349.07013	11.2
351.08627	2.6
355.08234	1.0
361.07022	10.7
363.08734	0.9
367.08121	29.5
368.08102	1.0
379.08081	25.9
380.08398	1.3
397.09122	22.1
398.09415	1.1
399.10696	1.2
415.10214	45.5
416.10452	1.9
417.11609	2.9
433.11209	15.5
434.11627	0.9
441.11691	2.6
459.12878	1.9
475.12476	9.4
476.12894	0.9
499.12210	2.4
524.36523	1.0
529.13196	3.3
541.13312	1.1
543.14819	1.3
559.14288	2.7
561.15582	1.3
577.15607	7.1
579.16949	2.7
595.16321	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4573
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38521	1.4
53.03940	3.1
55.01865	4.2
55.05507	14.4
57.03428	12.5
57.07068	2.3
60.43151	1.4
61.02900	1.6
63.26720	1.5
65.03944	2.8
67.05501	47.2
69.07059	11.2
71.04995	1.9
72.11464	1.5
73.02910	2.4
79.05489	40.0
81.03429	3.2
81.07048	46.5
83.04964	4.1
83.08616	8.8
91.05461	19.0
93.07038	56.6
93.10762	1.3
95.04942	8.4
95.08599	61.0
97.02899	5.3
97.06523	5.3
97.28640	1.7
99.04447	4.1
105.07017	13.5
107.04946	6.6
107.08582	39.3
109.06494	3.0
109.10136	11.8
110.04548	1.4
111.04446	2.0
111.08054	2.4
117.07004	12.1
119.08564	17.6
121.06486	6.8
121.10135	26.6
123.11697	3.4
125.06004	2.7
129.07024	1.6
131.08549	3.6
133.10123	8.8
135.08127	1.7
135.10628	2.7
135.11679	56.6
145.10126	32.6
147.11676	3.2
149.13286	4.3
153.12758	2.1
159.11682	3.7
163.11169	64.4
164.11487	2.4
166.56857	1.5
173.13341	2.4
175.14761	1.6
181.12193	13.4
209.17380	1.4
220.75250	1.9
227.12764	95.4
243.21107	2.6
261.22141	10.7
279.23071	2.0
283.15387	100.0
300.30142	1.4
317.24686	2.3
335.25778	98.3
336.26172	3.0
341.49640	1.4
469.33643	1.8
543.36804	85.6
544.36749	4.8
561.12610	1.8
599.50555	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	740.4574
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.4
55.01860	5.0
55.05512	15.6
57.03440	9.8
57.07066	2.7
61.02911	1.4
63.40824	1.1
63.47898	1.1
64.55527	1.2
67.05502	40.2
67.18494	1.3
69.03426	3.6
69.07069	10.8
71.04983	2.4
71.73268	1.8
79.05488	34.6
81.03417	3.2
81.07055	44.1
83.04958	4.0
83.08617	11.1
85.02895	1.4
91.05479	16.1
93.07040	50.2
95.04414	1.3
95.04940	6.7
95.08009	3.0
95.08603	54.8
97.02895	4.2
97.06516	3.6
97.10143	2.0
99.04438	4.6
105.07018	10.7
107.04971	8.7
107.08585	39.0
109.06528	3.4
109.10137	13.7
111.08066	2.0
117.07009	8.5
119.08571	14.4
121.06482	4.5
121.10136	21.0
123.11675	2.3
125.05989	2.4
127.03911	5.5
130.07744	2.1
131.08557	5.2
133.10133	7.1
135.08078	1.6
135.11687	53.5
139.07559	2.2
145.10126	29.2
147.11658	2.5
149.13280	3.4
161.13199	1.6
163.11176	61.1
163.14830	1.4
173.13266	2.7
181.12265	12.8
221.99139	1.3
225.07538	1.3
227.12769	100.0
228.13179	1.4
261.22104	6.2
283.15408	74.7
289.83499	1.5
317.24713	2.6
335.25781	96.4
336.26248	2.0
353.15945	8.9
371.16833	1.5
543.36823	68.1
543.45313	3.3
544.36597	2.6
751.51068	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4053
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.7
55.01860	1.6
55.05506	7.7
57.03406	3.0
57.03659	1.0
57.07050	1.1
61.02911	5.9
65.03933	1.5
67.05499	15.5
69.03417	1.6
69.07059	7.6
69.72353	0.9
70.06553	1.5
71.04982	7.2
73.02887	1.5
73.06567	0.8
79.05481	16.0
81.03415	4.7
81.07046	46.8
82.07370	1.0
83.04957	3.1
83.08602	7.4
85.02884	6.4
85.06501	1.6
91.03931	3.1
91.04929	0.9
91.05469	13.2
93.07029	11.6
95.04961	6.0
95.08599	13.8
97.02864	2.3
97.06510	3.5
97.10158	1.6
98.21414	1.4
99.04469	1.0
99.08086	1.8
105.07012	13.4
107.04927	4.5
107.08583	9.3
108.84338	0.7
109.02897	0.9
109.06499	18.0
109.10164	5.9
111.04401	1.8
111.08051	2.2
111.29883	0.8
113.09582	1.4
116.36196	0.7
117.07006	3.9
118.77571	0.6
119.08566	12.9
121.06506	3.5
121.10127	6.8
123.08046	4.4
123.11665	2.4
125.09602	1.6
127.03860	1.5
128.06161	0.8
129.06966	1.3
131.08562	5.6
133.06465	1.1
133.10112	8.8
135.08012	2.3
135.11678	3.8
137.09546	1.7
140.66969	0.8
143.08502	1.6
145.04893	1.0
145.06528	1.1
145.10107	6.4
147.11661	7.9
149.09567	3.6
149.13232	4.2
151.11157	2.1
153.06975	0.8
155.08493	1.1
157.10115	1.5
157.28819	0.8
159.08113	0.8
159.11626	4.1
161.09583	1.4
161.13214	2.4
163.11153	4.3
163.14815	1.7
165.12717	2.6
169.10049	1.1
171.11658	1.5
173.09578	1.2
173.13263	2.6
175.11084	1.1
175.14841	1.1
177.01785	0.8
177.12743	1.2
183.11646	1.1
185.13156	0.7
189.16270	0.8
193.12225	1.7
229.19548	1.3
239.17894	1.3
247.20511	2.3
257.19031	1.7
267.15918	1.3
269.17389	1.0
275.20029	20.6
276.20193	1.1
293.20999	2.3
299.05423	3.6
307.22473	2.6
311.05475	3.2
325.06854	1.4
329.06500	2.5
349.23688	100.0
350.24185	3.2
353.06448	1.1
367.24625	3.3
381.26337	36.3
382.26492	1.4
431.09381	1.5
461.29016	4.4
511.28635	1.3
543.31445	1.4
603.25531	0.8
645.26300	0.9
687.27197	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4051
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	0.9
55.01870	1.7
55.05270	0.5
55.05505	5.7
57.03175	0.3
57.03436	2.8
57.07051	0.5
59.04969	0.6
61.02649	0.4
61.02920	3.8
65.03923	0.7
67.05499	11.6
69.03422	1.6
69.06725	0.5
69.07059	4.6
69.82394	2.0
70.06560	0.7
71.04616	0.3
71.04985	5.4
72.08135	0.4
73.02909	1.7
79.05481	11.8
81.03412	3.5
81.07045	34.3
83.04971	1.7
83.08607	5.5
85.02891	4.9
85.06516	1.3
86.09692	0.4
91.03953	2.7
91.05465	10.3
93.07035	10.8
95.01315	0.4
95.04955	4.0
95.08595	8.2
97.02876	2.1
97.06505	2.2
97.10141	1.1
99.04446	0.5
99.08083	1.3
105.07023	10.3
107.04937	3.3
107.07908	0.5
107.08582	7.7
109.06507	15.8
109.10134	3.8
111.04442	1.6
111.08043	1.7
113.09658	0.7
117.07001	2.9
119.08562	9.2
121.06454	3.1
121.10120	5.1
123.08057	3.5
123.11671	2.2
125.09598	0.8
127.03891	1.4
129.06978	1.5
131.08565	5.3
133.06470	0.9
133.10121	7.1
135.08017	1.5
135.11685	3.0
137.09590	2.1
139.11243	0.3
141.06987	0.6
143.08505	0.7
145.04930	1.5
145.10117	5.5
147.04393	1.1
147.08040	1.0
147.11658	5.6
149.09631	3.8
149.13248	3.2
151.11183	1.6
154.68221	0.4
155.08511	0.7
157.10077	1.6
159.08049	0.8
159.11664	3.4
161.09593	0.9
161.13217	1.4
163.06020	1.9
163.11143	3.7
163.14804	1.5
165.09033	0.4
165.12759	2.3
169.10139	0.8
171.11684	1.1
173.09546	0.5
173.13229	2.0
175.09782	0.3
175.11182	1.5
175.14825	0.7
177.12711	1.1
180.62395	0.3
183.11687	0.5
187.14847	0.8
189.16377	0.5
191.14313	0.9
193.12245	1.3
195.13701	0.4
197.13170	0.8
201.12766	0.6
205.12167	0.4
219.13750	0.6
229.14218	0.4
229.19478	1.2
233.15259	0.6
239.17865	1.0
245.38441	0.3
247.20557	2.5
257.19083	2.4
267.15814	1.0
269.17538	0.4
275.20035	29.0
276.20294	0.7
285.16913	0.4
287.05438	0.7
293.21161	2.2
297.49170	0.4
299.05490	0.7
301.14087	0.4
307.22614	2.1
311.05377	0.9
325.06998	0.3
328.18747	0.4
329.06589	0.8
349.23691	100.0
350.24051	2.3
353.06635	0.4
367.24783	16.1
369.68442	0.4
381.26306	21.6
382.26700	0.4
398.26877	1.0
435.27454	1.2
443.27930	1.0
461.28903	7.5
511.28812	0.6
543.31171	0.5
579.25958	0.5
639.08679	0.4
700.67236	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	0.6
57.03403	0.5
69.03380	1.0
70.06577	1.9
71.04983	2.4
79.01835	0.6
81.03379	1.2
81.07005	0.4
84.08099	0.7
85.02899	4.6
87.04436	0.4
87.49555	0.3
97.02849	0.6
103.05406	0.3
105.06979	1.0
105.20029	0.4
106.07360	0.4
109.02844	1.1
112.02158	0.3
112.02898	0.4
120.37861	0.3
127.03916	0.5
133.10027	0.4
135.04373	0.9
137.02347	7.9
137.03358	0.4
146.05882	0.3
152.72766	0.4
161.02328	0.3
161.09636	0.5
163.03876	0.9
165.01849	0.4
165.05498	0.4
165.09044	0.6
167.03366	0.5
167.07036	0.5
171.02861	0.6
179.03348	1.3
181.01247	0.8
187.03853	0.5
191.03384	1.8
195.02861	0.4
205.04950	0.5
207.02791	0.6
207.06537	0.7
215.03284	1.1
229.05078	0.5
233.04437	3.9
235.02342	2.9
243.06474	0.4
251.05328	0.6
259.06006	1.5
271.06052	1.3
272.06760	1.9
283.06091	0.9
286.04688	0.5
287.05417	3.2
295.05966	0.6
299.05484	35.5
300.06256	19.9
301.07019	1.8
311.05478	6.0
313.07043	21.2
314.07434	0.5
315.04944	6.9
323.05530	0.5
324.06299	0.9
325.06955	0.6
327.04990	10.3
328.05692	1.2
329.06537	82.5
330.06918	1.8
339.04913	0.9
339.08646	5.4
341.06531	8.9
353.06796	0.5
355.04507	1.7
357.05945	2.0
357.09732	0.7
359.07562	11.9
360.07883	0.5
367.08130	2.9
369.06042	22.7
370.06750	0.4
381.53775	0.4
383.90451	0.4
385.09171	8.6
385.14001	0.3
385.34323	0.4
387.01990	0.6
387.07092	17.0
395.07651	3.0
403.10178	2.5
413.08661	16.2
431.09720	29.0
432.10004	0.7
449.10760	0.6
477.10007	0.5
491.11874	3.4
549.12494	1.2
565.15381	0.5
575.13873	4.6
577.15369	3.7
593.14978	100.0
594.15277	3.6
739.20654	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	736.4225
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41387	0.8
55.05515	1.1
56.05019	0.9
57.01928	0.8
57.03443	1.5
59.95961	0.9
61.02923	12.3
62.43229	0.7
67.04247	2.2
67.05504	1.7
69.03426	6.5
69.97923	5.0
70.06588	9.5
72.08150	100.0
73.02920	6.4
73.08464	1.4
79.05492	1.5
80.05025	2.4
81.03418	2.5
81.07044	1.7
82.06576	29.8
84.04486	0.9
84.08137	38.4
84.76175	0.9
85.02898	13.4
91.03940	8.5
91.05492	1.5
93.07068	1.0
94.06554	6.1
96.08141	1.9
97.02901	11.6
97.08939	1.0
98.09686	1.7
98.20772	1.4
99.04465	1.7
101.02364	2.1
108.08122	4.0
109.02926	1.2
110.09668	5.3
112.11245	10.7
114.09174	3.9
114.10333	1.0
115.03930	1.0
116.07124	1.1
119.28910	1.2
120.08118	5.8
122.09662	2.1
124.07606	1.5
127.03925	2.6
134.09668	1.2
148.07584	1.0
168.10236	0.9
181.56078	0.9
190.08441	1.1
206.15376	4.1
208.09845	1.0
224.16463	2.6
226.17917	4.3
232.17052	3.8
234.13400	1.1
241.51172	0.9
249.19754	3.8
250.18288	1.0
282.20966	1.7
298.20111	28.6
300.21622	2.2
310.20288	2.3
324.21884	1.9
340.21210	2.8
341.24359	9.2
350.23615	1.0
395.28940	7.1
412.31750	3.4
424.23505	1.6
442.24466	1.0
460.25458	5.6
467.27798	1.6
503.29657	6.7
506.13959	0.9
557.34271	7.8
574.36969	8.7
611.31573	1.1
616.37982	1.3
622.30902	3.3
665.34735	7.7
719.39447	20.4
736.42188	84.9
737.42090	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	736.4217
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.8
55.05494	1.6
56.05033	1.5
57.03435	1.8
58.06594	1.1
61.02922	13.1
64.11632	0.7
67.04256	1.9
67.05496	1.7
69.03420	5.6
69.07073	0.7
70.06590	7.4
70.15367	2.5
71.01334	0.8
72.08150	100.0
73.02917	6.9
73.08459	1.2
77.62875	0.7
79.05479	1.9
80.05010	2.2
81.03408	2.3
81.07067	1.1
82.06088	1.5
82.06571	31.8
84.04509	0.7
84.08136	42.0
85.02898	14.0
86.09668	1.2
91.03947	7.6
91.05476	0.9
94.06560	6.3
95.08588	1.0
96.08129	3.4
97.02885	11.0
98.09699	0.9
99.04470	1.8
101.02382	2.1
104.05627	0.8
108.08083	4.0
109.02889	1.2
110.09673	6.2
112.11241	10.8
114.09200	3.5
120.08087	6.8
122.09644	1.8
124.07629	2.5
126.41201	0.7
127.03933	3.2
127.12351	1.0
131.04938	0.7
132.08118	0.7
134.09680	1.4
136.07552	1.4
148.07632	1.0
150.09198	0.8
162.09225	1.0
194.15410	0.8
198.11296	1.0
206.15433	4.2
208.17038	1.3
224.16507	3.1
226.18074	2.9
232.16927	3.8
234.13443	2.4
249.19492	3.7
266.21161	0.9
282.20627	3.3
298.20117	29.8
299.20682	1.1
300.21796	2.1
310.20126	2.9
322.20010	1.8
323.23965	0.7
324.21777	2.3
336.21786	1.9
340.21249	2.9
341.24435	9.2
365.24442	1.1
370.22275	0.7
373.27881	0.8
383.25626	1.3
395.29153	6.2
412.31949	3.1
424.23401	1.5
442.24841	1.0
449.26575	1.4
460.25372	7.4
467.27600	1.7
485.28348	0.9
503.29599	6.8
557.34332	6.3
574.36987	8.2
575.38928	0.8
599.35107	0.9
622.30701	2.0
629.32703	1.1
665.35034	6.4
719.27667	1.5
719.39551	20.9
720.40363	1.1
736.42224	87.6
737.43054	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	733.2847
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.9
55.01862	3.5
64.29051	1.3
65.03921	2.3
70.06586	10.0
71.75873	1.7
79.05490	6.1
81.07018	1.9
84.08113	1.8
86.09679	3.8
91.05461	14.5
94.04179	1.7
95.04966	4.3
97.84499	1.3
103.05466	9.3
105.03399	1.6
105.07030	12.4
107.04932	11.8
109.06489	1.8
110.07137	1.9
111.04427	4.0
115.05447	6.3
117.07010	3.7
119.04942	10.0
119.08509	2.1
120.08112	1.9
121.06494	5.7
122.03608	8.5
125.05977	2.8
128.06195	5.2
129.06999	4.8
131.04912	17.3
132.05692	2.6
133.02835	6.3
133.06476	6.9
135.04462	3.4
137.05965	100.0
141.06967	2.2
143.04890	2.0
143.06020	1.7
144.05661	1.7
145.06488	4.1
146.03622	2.1
146.07220	1.4
147.04405	11.6
147.08029	2.3
149.05956	11.7
151.03870	9.4
151.07504	5.5
153.05452	3.9
155.04892	2.6
156.05687	1.6
157.06488	1.8
159.04436	1.8
159.08028	10.0
160.05180	2.7
161.05956	27.5
162.06743	3.5
163.03944	1.6
163.07516	11.1
165.05603	2.3
165.07016	4.8
167.07016	3.9
171.04393	1.9
171.08083	2.2
172.05173	6.6
175.07555	17.9
177.05484	1.7
177.09055	2.0
178.07809	3.3
179.07047	8.3
181.71611	1.5
184.05228	3.5
185.05920	4.6
186.06728	4.3
187.07524	39.3
189.05458	2.6
189.07005	3.7
189.09033	3.7
190.07803	4.4
191.06955	4.3
191.08553	10.6
193.06520	3.4
193.10062	1.7
199.07549	18.0
201.09131	1.9
202.07750	5.5
203.06956	1.6
203.08574	11.4
205.06575	3.0
205.08418	2.4
205.10185	3.0
206.07199	3.5
207.08040	4.0
209.05919	1.5
210.06621	1.9
211.07495	1.9
215.08636	3.6
216.07779	4.2
217.06497	2.0
217.08484	3.3
218.07286	8.1
219.08051	15.0
220.08743	4.7
221.05972	1.9
221.09564	11.0
223.07454	2.9
231.07977	9.7
232.08711	2.7
233.09549	6.7
234.06752	4.9
235.07555	9.4
236.08368	3.3
237.09050	3.5
239.07143	1.7
242.09326	1.8
243.08156	3.5
245.06049	1.9
246.06804	4.7
247.07552	6.5
248.08324	5.7
249.09070	12.9
250.09836	4.6
251.07166	2.1
251.08150	2.0
251.10591	11.2
253.08498	3.4
258.06705	2.6
259.07468	3.0
260.08328	3.7
261.09024	8.7
263.07037	5.3
263.10324	2.3
264.07831	2.8
265.08588	6.4
265.12534	1.8
266.09329	3.5
267.10117	2.6
270.08759	1.9
274.06302	1.9
275.07059	2.3
275.10526	2.2
276.07800	2.0
277.08600	10.6
278.09387	7.6
279.10150	10.0
281.08441	2.6
281.11679	11.5
283.09647	3.1
285.11075	3.5
288.07733	1.8
289.08502	8.8
290.09280	3.4
291.10141	9.1
293.08527	2.1
293.11603	8.9
294.08658	2.1
295.09656	3.5
297.11267	4.2
303.10199	2.6
306.08682	2.3
307.09592	6.3
309.11182	75.1
310.11716	4.7
311.12759	37.9
319.09604	1.6
320.10449	1.7
321.11185	29.8
322.11804	4.2
323.12750	7.1
325.10593	3.1
327.12265	4.4
333.11221	1.9
335.12781	8.7
339.12216	2.8
341.14059	2.1
347.12732	3.9
365.14285	1.8
373.14203	1.7
397.16406	2.1
433.16754	1.5
445.16626	2.0
457.16171	2.2
459.17999	2.4
469.16180	2.8
487.17282	2.0
644.32294	1.6
743.04303	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	732.5605
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	7.9
56.05021	3.5
57.07068	3.5
60.04524	51.3
60.07893	1.1
60.08149	7.2
67.05505	11.6
69.07068	9.2
70.06577	1.1
70.36238	4.4
71.07357	3.7
71.08636	2.9
72.04517	2.7
74.06081	2.1
78.05444	1.2
79.05491	8.3
80.04996	1.1
81.03399	1.4
81.07050	13.1
82.06573	2.1
83.04981	1.2
83.08604	6.6
86.09697	34.9
88.29496	1.3
90.05534	2.4
91.05471	6.0
93.07034	6.6
94.06569	3.9
95.04963	1.9
95.08593	8.8
96.08127	1.4
97.10147	3.7
98.06062	1.5
98.21368	1.9
98.98439	2.8
101.52776	1.1
104.10741	2.2
105.07035	4.0
107.08591	5.1
108.41402	1.1
109.10139	3.4
111.08039	1.3
111.11655	1.7
112.07605	1.4
119.08562	4.6
119.45794	1.2
121.10133	4.7
125.00002	22.7
129.35886	1.1
132.39583	1.2
133.10156	3.3
135.11664	2.1
149.78792	1.1
184.07336	100.0
245.22725	2.0
250.25366	2.4
262.25308	18.7
263.23685	2.8
268.26401	1.2
272.25974	3.4
280.26340	15.0
298.27380	7.2
316.18417	1.3
516.48071	1.9
534.48938	9.0
552.49841	58.2
553.50275	2.2
570.51013	14.5
732.55249	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	732.5456
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	1.3
57.07071	74.6
58.07383	0.7
59.04998	11.7
65.39551	0.7
65.39925	0.6
67.05492	0.6
69.07072	1.6
71.08624	51.2
71.41247	1.3
71.41607	0.7
72.08966	0.8
73.02917	1.1
73.06559	4.4
78.44059	0.7
83.08611	0.9
85.10173	40.0
87.04459	16.3
89.06022	100.0
90.06372	0.8
97.10159	1.3
99.11730	7.4
103.07575	8.0
107.07062	3.0
113.13274	2.9
117.09084	4.0
123.10218	0.7
123.27299	0.6
130.08612	3.3
131.07024	5.9
133.08592	74.6
134.09003	1.2
135.10158	0.7
145.09970	0.8
155.17928	4.5
161.11708	1.1
175.09641	5.3
177.11209	29.4
213.22134	3.9
213.23962	0.7
215.23094	0.7
219.12326	1.4
221.13863	4.5
223.55209	0.7
239.14850	0.9
257.24765	4.2
265.16443	1.4
283.17551	1.8
327.20346	1.2
356.20572	0.7
371.22845	0.8
415.25269	0.7
452.94373	0.8
459.27966	1.0
503.30621	5.9
543.33698	1.1
549.66583	0.9
732.54639	2.1
748.60730	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	732.5615
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	20.1
57.07064	9.2
60.04523	100.0
63.67495	7.2
67.05502	18.8
69.07064	14.6
71.75575	11.1
79.05474	10.4
81.07055	18.3
83.08614	15.9
91.05475	18.1
93.07074	11.2
94.06570	6.3
95.08608	15.8
108.84232	6.8
112.23314	5.5
119.08582	5.7
121.10093	6.6
122.58687	6.1
140.96068	6.5
171.84138	7.7
230.84685	8.6
262.25259	31.4
280.26392	28.5
348.63901	6.3
461.28674	7.2
534.49255	14.7
540.89227	7.1
552.49774	94.4
553.50323	9.4
570.50793	30.0
732.54559	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	732.5037
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26389	0.3
54.04060	0.3
55.05498	3.0
56.01728	0.3
56.05030	4.8
57.03451	0.7
57.07071	2.4
58.06591	0.4
58.71751	0.3
60.04519	67.0
63.29622	0.3
67.05493	2.4
69.07052	2.7
70.06580	0.8
70.08130	1.4
70.32315	0.3
70.51289	0.3
71.08614	1.4
72.04530	0.5
74.06081	1.5
79.05491	1.3
81.07046	2.6
82.06594	0.6
83.08599	2.4
85.10164	0.5
86.06059	0.7
86.32380	0.3
89.71396	0.4
90.05561	0.6
93.07039	1.1
95.08614	2.4
96.08125	0.5
97.06516	0.4
97.10139	1.7
107.08594	0.9
109.10146	1.3
109.95688	0.3
119.08575	1.1
121.10143	0.6
252.26820	1.8
254.28424	1.1
264.26849	2.4
265.25375	0.3
270.27789	2.2
282.27890	11.0
300.28925	10.2
316.28314	0.4
318.29993	100.0
319.30289	2.2
638.87122	0.3
705.12994	0.4
714.24011	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	732.5458
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	2.4
57.03429	1.3
57.07069	100.0
58.07425	0.7
59.04995	31.7
64.46043	0.6
67.05496	0.9
69.07060	2.6
70.07499	1.1
70.07923	2.2
71.08624	97.0
72.08949	1.2
73.02903	0.7
73.06550	2.3
81.07053	1.0
83.08605	3.0
85.06554	0.6
85.10172	93.7
86.10527	0.9
87.04462	14.2
87.08109	0.7
89.06021	81.4
92.28317	0.6
95.04972	0.6
95.08617	0.7
97.10165	1.9
99.11724	11.1
101.06005	0.7
101.09637	1.9
103.07557	1.0
103.16381	0.6
103.65310	0.6
105.25622	0.5
107.07065	2.2
111.11691	0.9
117.09128	7.1
129.09001	0.6
130.08595	3.7
131.07056	4.5
133.08591	62.1
135.10112	0.7
141.16374	9.7
145.08539	0.6
145.10127	0.8
147.10147	0.9
153.58177	0.5
175.09674	3.4
177.11209	25.3
184.07338	0.7
189.11250	0.6
191.12660	0.8
199.20554	19.6
200.20958	0.7
219.12190	1.0
221.13818	3.0
239.14870	1.2
240.23093	2.1
257.24713	7.9
259.81641	0.6
265.16446	0.7
269.64084	0.6
283.17416	1.9
327.20108	1.1
353.21671	0.9
371.22510	1.4
371.26947	0.6
381.83005	0.6
415.25449	1.0
459.28012	8.8
499.30679	1.7
517.32062	0.8
538.56213	0.7
709.87549	0.6
732.55231	3.6
733.42511	0.7
740.93292	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	732.4366
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.0
55.01852	3.3
55.05235	2.0
55.05504	40.0
57.03418	2.9
57.06803	1.1
57.07067	19.5
59.04720	1.0
59.04996	14.3
60.42831	0.9
61.02922	2.3
62.27783	1.0
63.56446	1.0
65.03922	1.0
67.05493	7.5
68.99793	1.9
69.03413	9.0
69.07059	42.1
70.06566	2.2
71.04973	4.6
71.08624	6.2
71.75215	1.4
73.02888	2.3
79.05466	2.0
81.03403	9.2
81.07044	17.6
83.04973	1.6
83.08607	100.0
85.02893	17.2
85.06509	2.2
86.09676	1.2
87.00815	6.9
87.04454	2.7
89.06014	44.4
91.05467	3.5
93.07005	2.2
95.08585	14.0
97.02876	6.4
97.06497	1.5
97.10155	51.3
99.04432	3.5
99.08065	2.5
103.03955	1.1
103.07542	1.3
105.01865	5.2
105.07021	2.5
107.07063	1.5
107.08625	1.3
109.02853	9.0
109.10130	8.3
111.04430	2.2
111.11699	6.6
113.09641	1.2
117.09120	3.9
119.08565	2.4
119.10710	1.1
121.06508	1.3
121.10104	1.4
123.11694	4.9
125.13225	3.2
127.03894	13.9
129.01842	1.5
131.07042	1.9
131.08562	1.4
133.08582	32.7
133.10085	1.7
135.10080	1.1
137.13208	4.7
139.14757	4.9
141.12689	1.0
145.04945	3.5
147.10132	2.9
147.11517	1.3
151.09662	2.3
151.14848	1.1
157.10106	1.3
157.15884	1.9
159.02931	1.7
167.07030	1.7
171.17421	1.8
175.09653	2.4
177.11201	17.4
179.17867	1.9
183.17456	1.7
191.12787	2.4
195.12244	10.9
197.18954	3.8
201.18513	2.4
211.20537	2.3
215.20023	7.2
217.43126	0.9
217.95372	1.1
221.13892	5.0
231.04964	3.3
235.15410	5.0
239.14845	14.2
253.16423	6.5
255.23126	6.4
259.22729	2.8
279.17917	2.6
287.05566	1.5
289.09204	1.8
293.19653	2.9
297.19064	2.5
311.20477	2.8
448.31335	1.2
449.34695	40.1
467.35803	11.4
472.22040	2.1
557.40149	1.1
570.29639	3.8
611.44202	1.1
690.94348	1.2
732.34802	29.4
733.34821	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.3453
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25242	0.3
55.01888	0.4
55.05501	1.7
57.03436	0.6
57.07061	0.7
58.72031	0.4
59.04978	0.5
61.02913	0.4
67.05503	1.2
69.03424	0.8
69.07062	1.4
70.06588	0.7
70.32994	1.7
72.08177	0.4
79.05494	1.0
81.03422	1.0
81.07047	1.4
83.04951	0.7
83.08617	1.6
85.02895	0.7
89.06036	0.9
91.05466	1.4
93.07037	0.7
93.91776	0.4
95.08615	0.9
97.06567	0.4
97.10170	1.1
105.07009	1.0
107.08602	0.7
109.06510	0.4
109.10178	0.8
110.68004	0.4
111.81793	0.4
119.08604	0.5
123.08010	0.4
127.03846	0.5
131.08453	0.4
133.03503	0.5
133.08615	0.9
133.10123	0.5
137.05919	0.6
139.85721	0.4
143.08508	0.4
157.10204	0.4
161.13229	0.4
167.07030	0.5
171.64189	0.4
173.02998	0.4
185.04210	2.2
193.12279	0.4
201.03706	0.9
203.05322	0.7
217.59283	0.4
228.12335	0.5
259.07889	1.0
275.07397	0.5
331.10101	3.0
333.19281	0.8
347.09457	2.3
351.20154	0.7
354.74289	0.5
363.08887	1.3
375.20010	0.5
387.16266	0.9
407.24033	3.1
437.12976	0.7
441.20917	3.7
443.22559	1.3
463.13916	0.4
465.31369	0.5
471.21875	0.6
493.15311	2.7
499.21564	2.1
507.16916	0.9
535.20166	0.4
546.82501	0.4
549.21674	0.8
569.29279	19.2
570.29425	1.0
603.26117	3.5
605.27875	0.7
661.26801	1.0
731.34503	100.0
732.34778	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	730.5665
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	3.0
57.03429	2.3
57.07068	100.0
59.04993	45.5
60.74361	1.8
69.07048	3.0
69.45872	11.7
69.46302	8.2
71.08623	86.7
83.08589	3.6
85.10174	81.5
87.04461	5.9
89.06023	29.8
91.94369	1.7
97.10153	3.9
98.20698	3.1
99.11717	14.9
101.09665	3.2
101.86562	2.0
102.56280	2.1
103.07510	2.2
113.13285	5.4
117.09110	20.0
133.08607	25.0
155.17928	7.9
175.02147	2.2
175.09702	2.7
177.11218	9.1
199.66179	1.8
213.22156	18.5
254.24870	2.0
271.26254	27.6
304.48712	2.4
316.61398	2.0
327.20139	7.7
329.30576	2.4
385.24121	4.5
519.79944	2.0
730.56488	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	729.4692
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19086	0.7
53.03942	3.8
55.01865	2.1
55.05502	7.2
57.03431	1.5
57.07076	1.0
65.03928	0.9
67.05498	20.2
69.03428	0.9
69.07060	12.4
70.15362	1.7
70.15760	1.9
71.05013	0.9
71.08614	1.1
75.64323	0.8
79.05479	11.0
81.03404	19.8
81.07045	18.0
81.20404	0.9
83.04973	5.1
83.08619	4.8
85.06554	1.0
90.56808	0.8
91.05460	6.7
93.07035	12.2
95.04954	14.6
95.08588	8.6
97.06535	1.0
97.10163	1.9
98.20982	1.6
98.98463	2.6
99.08071	0.9
105.07009	8.4
107.08593	9.0
109.06513	3.0
109.10156	8.2
111.08083	1.2
113.09573	1.0
117.06957	0.8
119.08559	4.4
121.10109	4.4
123.08062	1.3
123.11650	4.1
125.09617	3.2
131.08531	1.3
133.10132	5.7
134.41096	1.0
135.08044	1.7
135.11685	2.5
137.13245	0.9
145.10104	1.6
147.11629	5.6
149.13199	1.9
151.11163	16.5
153.09015	1.1
155.01056	1.5
161.13255	4.1
163.14774	2.1
165.12744	4.2
171.11736	1.2
175.11192	1.3
175.14774	1.1
179.14307	2.5
185.13292	1.2
189.11244	1.3
189.12700	1.3
197.43558	0.8
207.13844	1.9
217.19650	0.9
231.21069	2.3
241.19531	3.3
249.22003	1.5
259.20596	3.0
263.23822	0.9
277.21591	100.0
278.21927	2.3
295.22668	15.2
316.92691	1.1
337.27441	7.1
543.57849	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.2746
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02384	0.8
53.03949	1.3
55.01844	1.1
61.02908	1.1
65.03929	5.3
67.05489	1.1
69.03419	4.2
70.06567	2.4
70.11330	1.2
70.11742	2.2
72.08142	1.0
73.02921	0.7
78.04701	1.6
78.79016	0.6
79.05481	4.7
81.03384	1.8
81.07043	1.0
82.04163	1.2
84.08120	0.9
85.02887	8.4
86.09679	1.2
89.03889	1.0
91.05464	9.9
93.03394	1.3
94.04192	0.8
95.01263	0.7
95.04970	2.7
97.02857	3.3
99.04440	0.6
100.44953	0.6
103.05462	4.3
105.03386	1.1
105.07009	8.4
106.04144	1.3
107.04944	10.5
109.02840	1.3
109.06478	0.6
110.03650	5.7
110.07135	0.6
110.47175	0.6
111.04434	8.5
115.05440	4.7
116.06264	0.8
117.03312	0.5
117.06995	1.9
118.04145	2.3
119.04932	8.3
119.08554	2.4
120.08139	0.5
121.06493	1.4
122.03616	1.3
123.04383	5.1
124.05190	2.4
125.05975	8.0
127.03885	1.0
128.06194	3.4
129.06981	4.7
130.04129	1.4
131.04915	7.0
132.05684	3.3
133.02838	3.0
133.06473	6.5
134.03592	1.0
135.04425	1.3
136.05194	1.6
137.05963	11.3
138.03088	1.0
141.06979	1.7
143.04898	1.2
144.05681	2.1
145.04892	0.6
145.06461	2.7
146.03624	1.6
147.04381	8.8
147.08035	4.7
148.05159	1.4
149.05971	2.0
151.03896	1.7
151.07506	3.2
152.04703	1.7
153.05449	27.4
155.04915	0.9
156.05658	1.4
157.06444	0.7
159.08040	7.3
160.05164	2.8
161.05942	9.9
162.06738	0.9
163.03899	0.7
163.07494	2.7
164.04659	0.7
165.05457	1.1
165.06874	0.8
167.07019	100.0
169.06436	2.2
171.04401	0.8
171.08015	1.9
172.05193	1.3
173.05974	1.8
175.07523	33.9
176.04645	2.2
177.05464	2.2
178.06337	0.9
178.07741	1.6
179.07011	10.5
179.08461	0.6
181.04994	0.7
181.06526	0.8
183.04395	0.6
183.06528	1.1
184.05174	1.8
185.05960	2.1
186.06732	1.8
187.07515	16.9
189.05418	4.0
189.06993	2.7
189.08951	1.3
190.07738	2.4
191.07004	14.8
191.08565	3.0
192.09308	0.7
193.06763	0.9
193.08580	8.7
193.10196	1.0
195.08095	0.8
199.07512	12.9
201.05423	0.7
201.09106	4.4
202.07748	3.7
203.07027	0.8
203.08591	6.2
204.09244	0.7
205.06531	2.7
205.08411	1.1
205.10194	1.1
206.07272	2.6
207.06427	1.4
207.08064	1.5
208.08829	0.9
209.07860	0.9
209.09669	1.1
211.07419	0.9
211.11189	0.6
215.06920	2.0
215.08578	2.5
216.07817	2.5
217.06485	1.5
217.08383	0.8
218.07254	4.5
219.08011	9.7
219.09987	0.9
220.08757	4.5
221.06032	1.3
221.09650	3.6
223.07587	1.4
225.09013	0.9
229.06531	1.1
229.08556	2.2
230.07175	1.7
231.07986	5.8
232.08820	2.9
233.06036	2.7
233.09590	5.5
234.06670	3.5
234.10381	0.7
235.07536	6.5
236.08356	3.7
237.08978	2.9
243.07964	1.6
244.08836	0.9
245.05975	1.4
245.09682	1.0
246.06770	3.8
247.07504	6.2
248.08324	5.8
249.05417	0.7
249.09074	7.2
250.06210	1.2
250.09802	1.4
251.07007	1.9
251.10661	6.7
252.07928	0.8
253.08549	1.0
257.05783	0.8
258.06805	1.5
259.07547	3.7
260.08252	3.4
261.05573	3.8
261.09033	6.8
262.06210	1.6
262.09860	2.4
263.07043	3.9
263.10565	2.7
264.07776	5.1
264.10770	0.8
265.08575	10.1
266.09372	1.0
273.09024	1.9
274.06116	1.6
275.06943	4.4
276.07770	11.3
277.08551	5.8
278.06406	0.8
278.09268	3.9
279.06894	1.2
279.10114	4.9
280.07440	0.6
280.10791	1.0
281.08072	1.4
281.11731	2.6
287.06906	1.4
287.12811	0.8
288.07809	2.4
289.08505	6.5
290.06064	1.0
290.09241	3.9
291.06796	1.2
291.09976	7.5
292.07410	1.4
292.10672	1.3
293.08054	5.8
293.11630	2.9
294.08698	2.2
295.09613	1.5
296.10367	1.1
301.08188	1.3
303.10046	1.0
304.07248	4.1
305.08054	4.0
305.11722	1.5
306.08875	3.7
307.09604	16.2
308.10364	7.4
309.07849	0.9
309.11151	5.1
310.11792	0.7
311.12695	5.7
315.12357	0.8
318.08817	0.9
319.09613	21.2
320.10391	3.9
321.07568	1.3
321.11166	9.3
322.11920	1.3
323.09204	1.1
323.12723	7.8
325.10596	0.7
325.14392	1.4
326.11594	0.7
333.11343	0.7
336.09622	1.8
336.13574	1.4
337.10580	2.2
337.14255	1.5
338.11234	0.8
339.12241	52.4
340.12604	1.7
341.13852	10.9
351.12231	56.1
352.12634	2.6
353.13751	9.5
354.14197	0.7
355.15479	1.2
369.13272	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	727.2072
Annotation	Isomollupentin 7,2''-di-O-glucoside
Peak:m/z	Relative Intensity
52.82027	1.0
53.83982	1.0
55.01855	1.9
57.03435	2.8
59.87482	1.0
61.02916	1.4
69.03417	3.2
70.06577	2.1
71.71685	1.3
71.72018	1.1
81.03392	2.8
81.10122	1.0
85.02882	9.3
91.05471	4.7
97.02892	5.4
105.06986	1.4
107.04974	1.5
109.02863	2.7
119.04931	6.8
121.02855	31.9
126.65987	1.2
127.03886	2.1
131.04912	1.1
135.04341	1.3
137.02327	1.4
145.02850	4.0
145.04930	1.1
147.04388	1.4
159.04372	1.3
163.03908	1.6
177.01826	1.5
179.03416	1.8
187.03874	2.3
189.01807	5.9
189.05432	1.7
191.03407	4.5
195.02919	4.8
197.72736	1.3
199.03952	1.9
201.01813	1.7
201.05449	1.3
203.03343	9.0
207.02931	7.6
209.04358	1.4
215.03377	4.4
217.04977	4.5
219.02863	3.5
221.04465	3.4
227.03293	2.1
227.07019	1.3
229.04948	3.8
231.02850	1.3
233.04491	3.6
241.04898	2.6
243.02888	1.8
245.04515	2.7
247.05969	1.4
253.04958	1.9
255.02885	2.8
257.04446	2.6
259.06015	1.3
261.04022	1.7
267.06476	1.7
268.07214	2.5
269.04547	1.2
279.06586	3.9
281.07968	6.4
283.05972	11.0
284.06836	1.8
285.03952	1.9
291.06445	2.4
292.07178	1.6
293.08011	2.8
294.05212	23.5
295.05994	82.8
296.06586	8.3
297.07581	8.1
299.05234	1.4
305.07901	2.8
307.06003	65.7
307.09280	2.6
308.06650	18.2
309.04147	1.6
309.07520	17.9
313.07007	7.8
317.07834	3.0
319.06192	6.0
320.06799	5.2
321.03754	2.4
321.07538	44.5
322.04630	2.0
322.08191	13.3
323.05450	5.9
323.09149	8.3
325.07022	75.9
326.07388	3.6
329.07172	1.3
331.09729	1.7
333.07523	20.0
334.08185	3.6
335.05301	3.4
335.09122	12.8
336.06268	5.2
336.09943	1.5
337.07040	68.8
338.07516	2.7
339.08624	3.5
341.70078	1.3
345.07562	5.4
346.08466	2.2
347.09122	12.8
349.07034	64.4
350.07532	4.1
351.05261	1.0
351.08606	25.4
353.06625	3.7
355.08081	11.1
357.07501	3.3
359.09097	3.8
361.07016	21.9
362.07669	3.3
363.08524	14.9
365.06442	2.7
365.10254	11.3
367.08148	12.6
373.06921	6.2
374.07703	2.1
375.08597	12.5
377.10214	3.1
378.06903	1.7
379.08087	100.0
380.08304	5.3
383.08408	1.1
385.07040	2.6
387.08661	6.7
389.10205	4.6
391.08057	34.9
392.08472	1.3
393.09842	2.8
395.07974	2.4
397.09216	15.4
399.08640	2.3
401.10065	3.7
403.08109	26.9
404.08694	1.7
405.09506	7.9
409.09088	21.2
415.07874	8.0
417.09680	4.4
419.11404	5.4
421.09180	13.9
427.10275	19.6
429.09653	4.5
433.09146	26.9
434.09378	1.8
437.12347	2.5
439.10184	10.1
445.09207	16.3
446.09531	1.9
447.10889	2.0
451.10291	22.7
457.10104	13.6
463.10193	4.0
469.11258	13.1
475.10446	8.9
481.11234	8.8
487.12286	4.0
493.11237	15.4
499.12711	5.2
511.12326	25.4
517.13245	4.1
529.13385	17.2
541.13440	18.7
542.14172	1.7
547.14380	6.6
553.13373	2.6
559.14435	43.1
560.14532	2.2
565.14307	3.3
571.14447	21.2
577.15326	13.1
583.14288	7.6
589.15454	18.4
595.13812	2.3
601.15454	13.2
602.16083	1.3
607.16534	27.2
608.16437	1.9
613.15344	19.3
619.16443	32.3
620.16315	1.9
625.15186	2.5
631.16577	37.4
632.16931	2.2
637.15393	3.5
643.16541	29.9
655.16510	17.5
661.17639	19.8
673.17432	32.4
674.17352	1.8
691.00574	1.5
691.18549	37.4
692.18433	2.5
709.19714	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	727.2073
Annotation	Isomollupentin 7,2''-di-O-glucoside
Peak:m/z	Relative Intensity
55.01862	3.8
55.05499	1.3
57.03423	1.2
61.02911	2.9
68.99794	1.2
69.03424	37.9
70.04216	4.4
70.06574	3.9
71.04976	2.5
72.08156	1.1
73.02902	1.4
79.05527	1.3
81.03397	2.4
83.04987	1.4
85.02884	9.9
87.04456	1.5
89.65556	0.8
91.05470	3.4
93.03358	0.9
93.07018	1.3
95.08604	3.5
97.02869	2.9
100.05886	0.9
107.05004	1.7
107.08591	2.5
109.02902	1.9
111.04411	2.1
116.27850	0.9
121.02871	3.4
121.06425	1.1
121.10135	3.2
127.03893	3.5
129.10240	0.9
135.04398	5.3
135.11635	0.9
137.02324	31.0
137.03352	1.3
145.04932	1.8
147.04451	1.5
159.04402	1.3
161.02332	6.3
163.03790	1.0
173.05917	1.1
175.03983	1.0
177.01807	2.0
177.05463	1.2
177.16405	5.0
179.03389	2.8
185.06004	1.7
187.03906	1.8
189.01854	4.5
189.05476	1.6
191.03375	5.6
191.14258	1.9
195.02876	3.2
197.04427	1.1
201.05420	1.8
203.03345	8.9
205.05074	1.7
207.02850	7.8
209.15363	1.6
213.05502	1.6
215.03413	3.3
217.05035	3.7
219.02852	5.3
221.04446	3.6
225.05595	1.2
229.04968	5.2
231.02745	1.3
233.04454	3.5
237.05464	1.1
239.03441	1.5
241.04944	2.9
243.02832	1.4
243.06522	1.4
245.04482	3.6
247.05956	1.3
251.03380	1.0
251.07237	0.9
253.04893	1.3
255.06442	2.0
257.04462	2.9
259.06049	2.9
265.05350	1.0
267.06555	1.3
269.04388	2.4
271.05893	1.4
279.06506	1.8
283.06036	3.8
284.06729	2.2
286.04700	1.2
287.05472	3.7
291.06757	1.0
294.05167	1.5
295.06009	8.8
296.06650	2.6
297.07477	6.2
299.05478	14.5
300.06195	2.1
307.06024	3.9
308.06784	2.3
309.07562	5.1
310.04730	26.2
310.07858	1.1
311.05447	40.0
312.06165	3.1
313.06924	7.1
315.97839	0.9
320.06702	1.4
321.07568	6.3
322.08273	2.6
323.05490	52.7
323.08789	2.3
324.06274	16.9
325.03354	1.6
325.07074	22.0
329.06439	11.8
333.07663	3.2
335.05481	9.0
335.09152	2.1
336.06421	7.0
337.07019	37.7
338.07690	7.1
339.04889	1.7
339.08566	5.3
341.06509	31.1
345.07559	1.6
347.09024	3.7
348.06366	1.1
349.07050	14.4
350.07889	4.6
351.04779	1.5
351.08566	13.3
352.05704	4.3
353.06519	68.9
354.06891	3.2
355.08212	6.2
358.22263	3.3
359.09103	6.9
359.22635	1.4
361.06863	5.9
362.07730	1.5
363.04788	2.2
363.08609	11.8
364.05170	1.4
365.06497	35.1
365.10281	3.2
366.07187	3.0
367.08136	19.2
369.05923	1.7
371.07623	11.5
373.06976	1.5
374.07639	1.4
375.08630	12.9
376.09268	1.2
377.06390	13.8
377.10367	1.9
378.07111	1.7
379.08069	22.8
381.05969	2.2
383.07544	20.1
385.06961	3.7
387.08484	1.0
389.10138	1.9
391.08072	28.7
391.12726	2.0
392.08627	3.0
393.05347	1.1
393.09875	9.6
395.07587	54.9
396.07925	2.0
397.09158	4.1
401.09006	7.8
403.08078	28.3
405.09869	4.6
407.07526	19.4
407.12405	1.7
409.09186	9.7
411.07608	1.4
413.08694	5.5
417.09738	7.4
419.06943	8.0
421.09171	44.5
422.09354	1.2
423.10803	1.1
425.08633	18.8
427.10251	5.2
429.09631	3.1
431.07568	2.8
433.08960	8.3
439.10251	23.7
443.03958	1.6
443.09714	24.6
445.09134	15.9
447.10696	5.4
449.08618	16.8
451.10312	4.7
457.11108	10.8
461.10645	8.6
463.10263	9.8
467.09720	24.6
475.10251	23.0
481.11105	2.2
485.10764	22.2
493.11273	19.0
494.11987	1.1
499.12326	1.9
511.12347	100.0
512.12640	4.0
515.11963	2.2
521.27905	1.4
529.13354	30.4
533.13019	2.7
547.14532	7.5
557.12842	7.1
559.14258	2.8
563.13397	1.3
571.14563	1.2
575.13849	3.2
577.15125	2.9
583.14117	3.6
587.13739	2.9
601.15405	22.8
605.14966	10.0
611.14557	1.3
619.16595	11.1
623.16010	18.4
629.15021	11.0
647.16083	22.1
655.16193	3.9
673.17560	59.0
674.17517	2.2
691.18585	46.7
692.18298	2.5
709.19653	9.2
727.20203	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.207
Annotation	Kaempferol 3-xylosyl-(1->3)-rhamnosyl-(1->6)-galactoside
Peak:m/z	Relative Intensity
51.79309	0.1
55.05490	0.1
56.93482	0.1
57.03426	0.8
67.01864	0.4
67.05508	0.1
68.99477	0.1
68.99799	0.3
69.03421	0.9
69.57611	0.1
69.58014	0.7
70.02881	0.1
70.06591	0.6
71.04981	3.3
72.08165	0.1
73.02895	0.2
75.04453	0.2
79.05505	0.1
81.03378	0.1
83.04951	0.4
84.04499	0.1
84.08136	0.2
84.38783	0.1
85.02895	4.4
86.09707	0.1
87.04448	0.4
89.03877	0.1
97.02866	0.7
100.32205	0.1
107.04945	0.1
109.02879	0.1
110.07133	0.1
110.09693	0.1
111.04417	0.2
115.03897	0.5
127.03900	0.1
129.05463	0.8
133.04921	0.4
135.04408	1.1
137.02330	0.5
144.06523	0.1
145.04913	0.1
147.06490	0.2
153.01802	3.5
154.02037	0.1
161.02287	0.6
171.02853	0.6
177.05510	0.1
179.03384	0.3
179.07083	0.1
203.03410	0.1
219.06468	0.2
241.04898	0.4
245.04449	0.2
263.05734	0.1
269.04440	0.2
287.05457	100.0
288.05786	2.1
295.06088	0.1
299.05600	0.1
311.05469	0.2
325.06955	0.1
329.06516	0.3
339.09277	0.1
341.06491	0.3
351.08389	0.1
353.06592	0.2
364.65033	0.1
365.06204	0.1
395.07635	0.2
397.08954	0.2
407.07916	0.2
425.08368	0.1
443.09503	0.3
449.10745	3.0
481.11163	0.1
490.88974	0.1
511.11963	0.3
547.14270	0.1
581.14960	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	726.4777
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81891	2.2
53.03934	3.2
55.01838	2.8
55.05511	17.7
57.03444	13.0
57.07064	4.2
67.05500	66.0
69.03424	4.2
69.07061	27.7
70.29530	11.8
71.04971	4.3
71.08639	2.5
73.14178	2.2
79.05489	47.1
81.07050	83.4
83.04961	3.0
83.08619	12.9
85.75335	2.4
91.03930	2.4
91.05481	28.0
93.07035	69.1
95.04959	6.5
95.08595	40.1
97.06517	8.1
99.08104	2.8
101.11179	2.4
105.07027	13.5
107.08590	36.1
109.06535	4.2
109.10152	13.7
111.08069	7.7
115.03793	3.1
117.07002	8.7
119.08566	9.1
121.10132	23.1
123.11737	5.5
123.20963	2.5
131.08563	11.2
133.10120	10.0
135.11691	12.0
145.10164	5.4
147.11685	5.8
149.13249	28.9
159.11665	13.3
161.13260	6.4
173.13348	3.7
174.63376	2.4
177.12753	5.4
195.13792	9.8
233.04910	2.4
261.22147	6.9
262.30710	3.1
269.17444	77.0
275.81674	2.6
335.25769	62.9
529.38898	100.0
530.39246	3.7
758.51343	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	727.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	1.3
54.99149	1.0
55.01872	7.2
60.04515	1.5
61.02927	2.7
68.99742	1.4
69.03423	26.3
69.50151	6.9
69.50571	4.1
70.06593	8.2
71.04976	2.4
72.08139	1.7
73.02895	1.7
79.05496	2.4
81.03406	3.4
84.08123	1.9
85.02451	1.3
85.02905	13.4
86.09707	2.8
87.04457	1.2
91.05467	1.1
93.03417	1.6
95.04969	1.6
97.02879	4.0
98.20692	1.9
107.04972	1.6
109.02854	3.2
110.07170	1.6
119.04964	1.9
120.08120	1.8
121.02869	4.1
123.04417	1.0
126.50479	1.0
127.03934	4.2
129.10217	1.8
131.04959	1.5
135.04433	8.8
137.02328	45.0
137.03339	1.6
137.05957	1.3
145.02811	1.1
145.04968	1.6
147.04410	2.5
159.04442	1.2
161.02324	6.4
163.03870	3.2
173.05991	1.5
175.03896	1.4
177.01866	1.2
177.05469	1.5
179.03410	3.5
181.04945	1.8
187.03931	3.1
189.01793	7.0
189.05486	2.2
191.03392	4.9
195.02866	5.5
199.03943	2.9
201.05383	1.5
203.03381	16.0
204.03983	1.1
204.06534	2.1
205.04950	3.2
207.02864	10.3
209.04410	2.4
211.03883	1.8
213.01846	1.1
213.05518	2.4
215.03389	6.1
217.04939	7.0
219.02870	8.1
221.04428	8.1
227.03406	3.9
229.05020	5.7
231.02892	3.0
233.04437	6.2
235.05978	1.6
241.05008	3.1
243.03020	2.4
243.06296	1.3
245.04466	5.1
255.02794	2.9
255.06609	1.3
257.04553	1.7
259.06134	2.0
261.03726	2.7
267.06631	1.6
269.04456	1.4
271.05832	2.0
273.03918	4.1
279.06540	2.7
283.05960	4.4
284.06802	4.3
285.07520	2.7
287.05478	7.7
295.06046	9.0
296.06744	3.4
297.04303	1.7
297.07626	7.7
299.05453	13.5
300.06030	2.8
307.06012	2.5
308.06763	4.3
309.07550	7.0
310.04721	19.6
310.08127	2.1
311.05478	63.9
311.08807	3.0
312.06143	9.9
313.06918	11.9
320.06540	1.7
321.07608	5.0
322.08395	3.4
323.05481	58.2
323.08923	3.3
324.06223	27.1
325.07016	27.5
326.07553	2.1
329.06549	14.3
333.07593	5.0
334.08499	1.4
335.05566	8.2
335.09021	1.8
336.06210	13.4
337.07019	66.2
338.07706	13.1
339.04901	3.3
339.08646	9.7
340.09000	1.6
341.06537	100.0
342.06915	2.4
345.07574	5.7
347.09222	4.8
349.07019	23.9
350.07843	11.3
351.05017	2.0
351.08618	25.7
352.05722	4.5
353.06537	83.5
354.06979	3.4
355.08011	8.7
360.06155	2.1
361.07083	22.9
362.07730	1.7
363.04794	2.1
363.08624	12.4
364.05579	1.6
365.06522	61.0
366.07034	3.6
367.08115	36.6
371.07532	10.9
375.08585	6.2
377.06470	25.4
378.07245	2.0
379.08084	48.9
381.05896	2.3
381.10092	2.2
383.07562	21.0
387.08801	1.5
389.06467	22.7
391.08127	22.3
393.09695	3.5
395.07584	78.4
396.07971	3.0
397.09024	3.5
401.08801	7.5
403.08035	8.0
405.05392	1.7
405.09839	4.0
407.07568	91.2
408.07730	3.6
409.09140	26.3
413.10190	2.0
417.09711	4.3
419.08231	9.1
421.09113	17.6
425.08664	62.9
426.08957	2.5
427.10184	16.3
429.09720	7.2
431.07629	12.3
433.08997	6.4
435.11401	6.3
437.08557	4.5
439.10284	6.0
443.09692	43.3
444.10138	2.1
445.09705	3.6
447.10864	7.6
449.08652	11.3
457.10760	10.9
461.10654	1.3
463.10181	23.5
475.10272	20.2
476.11035	1.5
481.11301	29.6
491.11472	1.3
493.11188	18.6
499.12317	18.9
503.11777	6.9
511.12363	72.1
512.12610	3.2
515.11713	2.7
527.11469	1.6
529.13403	24.8
530.13190	1.2
533.12665	3.2
547.14526	12.4
557.12744	13.3
563.13544	2.9
569.12720	4.9
571.13928	6.3
587.13892	59.3
588.14020	1.9
589.15381	20.5
595.16742	1.4
605.14954	52.3
606.15088	2.3
619.16522	5.6
623.15656	2.2
637.17352	7.5
643.16534	21.7
655.16516	5.5
661.17499	24.2
662.17755	1.7
673.17511	62.7
674.17670	2.2
691.18719	41.6
692.19171	1.6
709.19403	16.4
727.19977	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	726.3898
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03917	1.0
55.01873	2.7
55.05508	7.0
55.05766	0.8
57.03435	2.6
57.07040	0.9
61.02923	7.2
65.03931	0.6
67.05502	16.4
69.03423	2.1
69.07065	9.1
69.74796	0.4
70.85707	0.8
70.86078	0.7
71.04963	1.1
73.02941	2.4
79.05488	14.4
81.03413	2.4
81.07050	45.3
82.18910	0.3
83.04967	2.3
83.08618	7.3
85.02894	7.5
85.06506	1.6
91.03446	0.4
91.03951	5.3
91.05473	13.2
93.07036	13.3
94.06658	0.4
95.04961	5.6
95.08025	0.7
95.08598	11.3
96.08841	0.5
97.02881	3.7
97.06064	0.4
97.06520	4.3
97.10156	0.7
99.04409	0.9
99.08056	1.2
105.06358	0.7
105.07019	13.0
107.04953	5.1
107.07930	0.6
107.08588	9.1
109.02860	0.5
109.06509	19.1
109.10167	4.5
111.08038	1.7
115.05461	0.6
117.07005	3.8
119.08574	13.4
121.06499	2.9
121.09368	0.6
121.10126	6.5
123.08051	4.4
123.11691	3.2
125.09608	0.5
127.03893	2.1
127.07493	0.5
129.06932	1.6
130.07748	0.5
131.08556	6.4
133.06487	0.7
133.09203	0.6
133.10124	10.1
135.08081	2.6
135.11687	3.7
137.05991	0.5
137.09612	2.6
137.13223	0.4
141.06993	0.4
143.08496	1.1
145.04932	1.9
145.06429	0.7
145.10104	6.9
147.08025	1.0
147.10588	0.8
147.11674	10.8
149.09595	4.6
149.12134	0.5
149.13248	5.0
151.07527	0.6
151.11136	1.7
151.43167	0.4
155.08479	0.9
157.10072	1.7
159.08083	0.5
159.11664	4.8
161.09576	0.9
161.13240	2.6
163.06003	2.3
163.11180	4.1
163.14798	1.6
165.09039	0.5
165.12775	2.3
169.10062	0.6
171.11649	1.8
173.13271	2.9
175.11101	1.9
175.14813	0.7
177.12732	1.7
179.14264	0.7
183.11626	0.8
185.13226	0.6
187.11111	0.6
187.14787	1.0
189.12929	0.4
191.10698	0.5
191.14188	0.9
193.12210	1.6
195.13718	0.5
197.13191	1.2
201.12794	0.7
205.15804	0.5
207.13750	0.8
229.19513	1.9
239.17969	1.4
247.20543	3.6
257.18936	2.8
267.15900	0.9
269.17371	0.6
275.20047	35.5
276.20447	0.7
285.17010	0.4
293.13138	0.6
293.21011	5.7
349.23712	100.0
350.24142	2.7
350.58951	0.5
367.24777	70.6
368.25143	1.7
374.15921	1.4
461.28784	0.8
479.30338	0.6
493.28363	0.6
511.29282	1.7
529.29993	1.4
552.09039	0.5
727.31030	1.0
755.88635	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	726.3903
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.3
55.01857	5.5
55.05275	1.5
55.05508	14.6
57.03434	12.7
61.02916	10.0
64.12903	1.1
65.03933	2.5
67.05138	2.2
67.05498	42.8
69.03421	6.1
69.07061	22.9
70.06790	6.0
71.01334	1.4
71.04974	4.9
73.02907	5.3
78.02897	1.1
79.05490	34.2
81.03421	12.0
81.07045	76.6
83.04980	9.3
83.08610	13.2
83.44525	1.1
85.02898	14.8
85.06512	3.9
91.03931	8.7
91.05465	26.6
93.07036	41.9
95.04965	11.6
95.08593	26.2
97.02886	9.3
97.06528	11.5
97.10122	3.9
99.04449	2.3
99.08096	3.0
103.03928	1.4
103.05402	1.7
105.07021	24.6
107.04940	8.0
107.07919	1.7
107.08583	23.2
109.02840	2.8
109.06502	17.9
109.10155	9.5
111.08058	6.1
113.45232	1.2
116.93152	1.4
117.07010	11.4
119.08572	22.5
121.06484	4.8
121.10131	16.9
123.08017	4.6
123.11672	5.7
125.09611	5.1
127.03920	7.3
129.05481	1.7
129.06964	4.3
131.08557	13.9
133.06427	1.5
133.10117	16.3
135.08035	4.3
135.11682	13.8
137.09587	4.5
143.08519	3.1
145.04945	4.5
145.10117	12.2
147.08092	1.6
147.11678	15.6
149.01213	1.4
149.09619	9.0
149.13255	14.2
151.11087	2.8
157.10126	4.3
159.11671	19.1
161.11974	1.3
161.13246	4.6
163.06015	4.9
163.11157	7.1
165.09100	2.8
165.12714	3.8
169.10133	2.4
171.10231	1.6
171.11613	2.6
173.09669	1.3
173.13252	6.9
175.11119	1.7
177.12714	15.1
179.02817	1.2
179.14304	7.1
181.12212	1.7
183.11629	1.6
187.11212	2.1
189.11186	1.8
193.12279	2.2
195.13812	4.2
227.12756	3.4
229.14177	1.6
229.19528	2.7
233.15324	1.7
239.17943	3.6
247.20416	2.7
251.16479	3.4
255.15866	25.1
256.51126	1.3
257.19037	7.0
267.16003	1.4
269.17459	60.8
270.17767	2.5
275.20013	34.9
289.05319	1.4
293.21030	6.9
293.35385	1.7
320.71130	1.4
349.23703	96.0
350.23874	3.2
367.24771	100.0
368.25046	2.5
374.15884	1.6
395.20859	1.4
413.21951	2.3
461.29135	2.1
511.28760	5.7
513.54486	1.7
529.29803	4.2
710.54950	1.3
727.30847	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	725.3158
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.1
55.01870	2.0
55.05518	9.0
57.03438	2.5
65.03929	2.3
67.05498	19.8
69.03426	3.3
69.07055	5.5
70.06592	3.5
71.74464	1.7
71.74837	2.2
79.05478	20.2
81.03424	4.1
81.07044	45.2
83.04977	2.3
83.08609	3.1
85.06528	3.2
91.05470	8.7
93.03413	2.5
93.07024	9.8
95.04944	10.5
95.08588	10.6
97.23016	1.9
98.63872	1.8
105.07024	8.1
107.08586	6.4
109.02864	2.6
109.06493	3.0
110.32411	1.8
111.08089	2.6
117.06981	2.3
119.04915	6.3
119.08537	5.2
121.02846	14.1
121.10129	3.8
133.10153	5.8
135.04428	2.6
137.02296	3.2
137.20174	2.2
141.01788	2.2
145.02846	7.0
145.10136	3.5
147.11737	1.9
149.02304	12.1
163.03842	4.2
163.11156	2.5
165.01836	20.2
166.12376	1.9
167.03391	8.2
172.95512	2.1
177.01816	4.6
179.03357	2.2
183.02869	21.2
187.03845	2.9
191.03432	5.6
193.04982	4.7
195.02893	8.4
205.04890	2.1
218.79059	2.0
229.04973	3.1
239.06982	2.4
254.05666	10.2
255.06548	7.6
261.03961	2.6
266.05762	2.5
267.06506	15.7
268.07120	2.1
270.05237	8.8
271.05939	5.9
279.06406	4.9
280.07410	4.8
281.08072	11.5
282.05264	8.1
283.05981	100.0
284.06744	20.8
285.07587	4.0
293.08200	3.1
294.05280	4.6
294.08749	2.1
295.06036	45.6
295.09332	4.1
296.06625	3.9
297.04486	2.2
297.07513	8.9
299.05402	11.6
305.07956	5.7
307.06082	6.6
308.06845	7.5
309.07486	33.0
311.05557	3.2
312.06244	7.6
313.07007	46.9
320.06717	3.8
321.07565	8.7
322.08450	4.7
323.05676	3.5
323.09042	19.4
325.06882	9.8
329.06564	10.9
332.06961	3.0
333.07358	6.8
335.08875	4.2
336.06213	3.6
337.06934	21.1
348.06284	2.4
349.07071	12.1
350.07846	4.4
351.08524	6.5
353.06570	3.2
360.06165	6.0
361.07062	6.6
367.07895	2.5
373.07080	2.7
379.07986	17.1
529.25812	33.7
544.67389	2.1
557.25116	4.5
563.25989	4.3
569.25128	25.3
575.26355	60.1
583.27020	3.2
587.26270	25.3
591.25720	4.0
597.28369	9.3
603.25098	3.7
605.27368	62.8
611.26331	10.9
621.26849	12.8
623.25763	3.6
625.27472	2.7
629.27301	59.9
630.28583	2.7
635.25867	4.4
641.27008	8.5
645.27057	10.0
653.27515	21.8
659.28442	30.2
671.28375	43.1
689.29523	73.2
690.30219	4.3
707.30573	29.8
725.40704	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	725.3156
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	3.4
55.01857	3.3
55.05503	13.8
55.31115	1.2
57.03424	3.6
61.02902	1.5
63.02248	1.3
65.03931	2.1
67.05145	1.3
67.05495	22.0
68.99784	2.1
69.03415	3.2
69.07061	11.5
70.06599	3.0
70.07364	7.1
71.04990	3.1
79.05081	2.0
79.05489	22.2
81.03414	4.9
81.07047	37.3
83.04956	2.3
83.08618	6.1
85.02876	4.9
85.06535	1.4
91.05475	13.2
93.07023	15.7
95.04948	6.0
95.08590	11.3
97.02886	2.0
97.06524	2.4
97.92681	1.3
100.76288	1.2
105.07011	11.9
107.04935	5.4
107.08573	6.5
109.02847	1.7
109.06516	2.8
109.10173	6.4
110.10474	1.5
111.04398	1.4
111.08034	2.3
117.07005	4.3
119.04930	12.1
119.08558	6.5
121.02851	59.2
121.06432	2.0
121.10129	5.3
123.08115	3.0
123.11719	3.8
124.67133	1.2
125.86536	1.3
129.06966	2.8
131.08527	5.6
133.06467	1.6
133.10091	5.0
135.08006	1.7
135.11679	3.8
137.13261	1.4
143.08553	1.8
145.02827	3.8
145.10075	3.2
147.04366	1.5
147.11626	3.5
149.09601	2.4
149.13264	2.2
151.11163	2.7
159.11705	1.5
161.02225	1.4
163.03943	3.2
163.11131	1.8
165.01869	2.0
165.09105	3.6
166.19569	1.5
167.03438	1.7
171.11598	1.6
175.03972	1.6
177.01782	2.5
177.05360	1.5
179.03413	3.5
181.12289	1.4
183.02838	3.2
187.03889	4.1
189.01825	6.8
191.03363	2.5
195.02922	9.8
199.03934	2.4
201.01836	3.3
201.05402	2.2
203.03363	18.1
205.04984	1.8
207.02876	7.8
211.03880	2.2
213.01837	1.8
215.03413	7.1
217.04883	5.0
219.02861	2.2
219.06631	1.3
221.04419	8.1
227.03394	3.1
229.04897	4.0
231.02805	2.6
233.04369	2.5
235.06007	1.6
239.06895	2.2
241.04898	3.0
243.02873	1.8
243.06416	1.5
245.04254	2.0
253.14366	5.3
254.05772	1.5
254.14668	3.6
255.02730	3.0
255.06531	2.4
257.08026	3.0
265.09045	1.4
267.06564	7.0
268.07193	3.7
271.05991	2.4
273.03928	3.6
275.20013	2.0
279.06512	6.5
280.07394	1.5
281.05246	1.3
281.07971	7.6
282.05206	2.4
283.05960	24.4
284.06757	3.2
285.07468	5.9
291.06393	3.2
292.07263	1.7
292.19702	1.7
293.07941	6.7
294.05179	15.6
295.05988	99.0
296.06671	5.3
297.04181	2.2
297.07535	28.0
298.08118	3.5
304.07260	2.0
305.08023	7.6
306.05099	2.6
307.05981	78.0
308.06754	27.5
309.03885	4.1
309.07474	28.8
310.04599	2.3
310.08041	2.9
311.05508	1.8
311.08954	2.7
313.07178	1.6
317.08124	6.7
318.08795	3.2
319.05939	7.0
319.09631	6.9
320.06815	16.9
321.07553	86.8
322.08084	7.0
323.05460	9.5
323.09180	8.7
324.06204	1.7
325.06989	15.3
325.10440	2.0
329.07910	2.2
331.05862	2.4
331.09570	3.2
332.06683	2.3
333.07535	30.3
333.11087	2.1
334.04675	3.4
334.08337	7.1
335.05374	7.8
335.09073	18.6
336.06302	3.6
337.06989	7.8
337.10593	2.0
342.08469	1.6
343.09561	1.9
345.07629	12.6
345.11246	1.8
346.08298	5.9
347.05295	2.5
347.09125	17.0
347.12881	2.5
348.06171	3.1
348.09943	2.5
349.02817	3.0
349.07013	33.1
349.10861	2.5
350.07761	2.9
351.08353	3.2
357.07312	2.4
357.11273	3.2
358.08310	2.0
359.05069	2.1
359.09073	13.6
360.06061	3.1
360.09970	3.0
361.06940	20.6
361.10782	9.2
362.07535	1.8
362.11456	2.7
363.08435	7.5
363.12277	13.2
365.13812	5.7
365.23135	3.8
366.23520	5.9
371.08960	5.0
372.10077	1.7
373.06940	14.6
373.10886	5.2
374.07773	3.9
375.12289	61.7
376.12863	3.8
377.06277	2.3
377.13895	9.9
379.08115	2.9
381.19247	1.5
382.19534	2.2
385.10712	3.3
387.08133	2.3
387.12198	4.2
389.10641	1.5
389.14044	10.7
391.07980	5.9
391.15472	2.1
393.13287	7.1
399.12210	2.3
401.06253	2.3
401.13797	5.2
403.15768	3.0
405.13269	22.8
415.15399	7.0
417.13495	9.5
419.14819	1.6
429.13101	10.6
433.16486	5.0
441.13202	3.7
443.13794	2.4
443.18680	5.0
449.15857	3.8
451.17535	4.0
453.13220	5.7
455.18423	2.8
459.14343	8.9
461.15701	3.0
471.14319	6.9
473.19476	2.2
475.17484	2.6
483.17682	10.0
489.19458	29.8
490.19424	3.6
499.17200	2.2
501.19150	7.5
513.18939	4.1
518.19086	1.9
519.19971	5.0
525.18842	9.9
531.20276	2.1
539.20270	2.5
545.25519	1.7
551.24426	2.1
555.19812	3.1
557.25354	82.2
558.25513	4.5
563.26160	3.8
567.19800	5.9
569.25311	41.3
570.25348	2.6
572.19824	2.0
573.21307	5.7
575.26233	31.0
584.20270	2.3
585.21039	4.9
587.26294	50.7
593.25104	8.9
603.21826	3.8
605.27405	36.8
606.27509	3.4
607.26746	2.3
611.26440	22.3
623.26520	8.2
629.27405	100.0
630.27228	3.3
635.18689	1.4
635.26770	14.8
641.27374	57.3
642.27539	2.3
653.16705	2.2
653.27393	43.9
654.27557	2.3
659.28076	5.2
671.28436	45.3
672.29077	2.3
689.29486	46.6
707.30640	13.7
724.76892	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.3154
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	2.5
54.96303	1.8
55.01860	2.4
55.05492	6.7
58.98689	1.5
67.05504	17.8
69.03097	3.0
69.03428	34.6
69.07067	10.7
69.96132	3.6
69.96545	7.9
71.04973	3.4
79.05482	19.4
80.90557	1.6
81.03389	5.6
81.07050	36.8
83.04971	3.4
83.08606	2.6
85.02876	3.2
85.06506	2.6
91.05456	12.6
93.07037	11.8
95.04950	5.2
95.08597	13.3
96.76606	1.6
97.06510	2.4
105.07021	10.3
107.04915	2.6
107.08583	8.2
109.02862	3.1
109.06499	2.3
109.10134	3.6
111.08076	2.0
115.05484	2.1
117.06977	3.5
119.04972	2.0
119.08560	5.2
121.02855	2.2
121.10132	7.8
123.11662	3.3
127.03957	1.8
129.06964	2.9
131.04956	1.7
131.08551	3.9
133.10155	2.6
135.04390	7.2
135.11613	2.4
137.02344	36.1
145.06468	1.7
145.10100	2.6
147.11667	4.1
149.09601	2.5
157.10085	1.9
161.02304	4.3
163.03894	3.5
165.01807	2.6
165.09070	2.8
167.03377	1.8
173.05974	1.9
177.01790	2.8
177.12492	1.8
179.03354	5.0
181.06476	1.6
183.02899	2.3
187.03871	2.8
189.01871	5.8
191.03241	2.0
195.02844	5.7
201.01920	2.1
203.03383	14.9
205.04974	4.0
207.02881	5.9
215.03387	5.3
217.05043	3.1
221.04472	8.7
229.04907	7.3
233.04329	3.1
241.04958	2.1
243.06519	2.3
245.04553	2.8
257.04364	4.9
267.06454	4.3
271.05930	2.3
275.19977	3.0
283.05991	10.7
284.06674	2.8
285.07739	2.3
286.04575	1.9
287.05194	2.0
291.06516	2.5
293.07880	2.6
295.06030	13.2
296.06787	2.6
297.07635	6.5
299.05530	14.3
300.06198	2.4
307.05997	4.0
308.06912	4.8
309.07547	8.9
310.04773	17.9
311.05469	57.6
312.06085	3.5
313.06973	25.0
314.07593	2.2
321.07449	9.3
322.08069	2.3
323.05472	61.6
323.09067	2.6
324.06210	22.1
325.06970	22.5
329.06479	4.5
333.07480	5.1
335.05338	7.3
335.09109	5.4
336.06326	12.3
337.07059	58.7
338.04099	1.9
338.07693	8.3
339.04971	3.7
339.08713	4.7
341.06516	14.2
345.07516	4.2
347.05185	2.6
347.09177	5.0
349.06995	28.4
350.04025	4.4
350.07794	6.5
351.04968	9.4
351.08356	9.2
352.05563	2.6
353.06531	8.8
354.03726	2.3
359.09109	2.0
361.06805	7.6
361.10825	2.6
362.07709	4.9
363.04611	3.2
363.08560	26.6
363.12491	2.5
364.09393	3.3
365.06503	26.9
367.07877	2.3
371.08975	2.2
373.06982	2.1
375.08725	11.1
377.06271	4.1
377.10156	6.5
378.10883	3.0
379.07916	10.6
379.11603	3.0
387.08453	3.7
388.09146	3.3
391.07834	19.9
391.11710	46.6
392.12674	4.0
393.05847	2.3
393.13318	6.3
397.09424	2.4
403.07556	3.9
403.12173	3.7
405.08939	3.9
405.13293	7.1
407.15054	2.4
409.12900	5.0
415.07996	3.2
417.13196	5.5
419.11066	3.3
420.12143	2.7
421.07751	2.0
421.12866	20.6
427.15698	2.8
429.13388	2.4
433.13107	9.1
435.14279	2.7
443.14728	5.5
445.12708	10.9
459.14206	6.3
471.14203	17.1
477.15543	4.6
487.16879	5.6
489.15302	56.5
492.17896	2.2
499.17346	12.1
505.18610	23.1
517.18420	6.1
523.21014	4.8
529.18152	2.1
533.17883	5.8
535.19458	4.4
539.20514	10.9
541.18427	5.9
547.19922	1.9
549.18658	2.4
557.25415	4.6
561.24634	2.4
567.19818	14.4
573.24860	15.2
585.25073	52.7
591.25854	3.5
603.26001	42.8
607.26227	2.7
609.25012	9.1
611.25848	2.2
621.26685	14.8
625.27563	5.4
627.25836	24.7
629.27496	3.7
635.26361	8.8
645.26862	68.1
646.26465	3.5
653.16656	3.2
653.27405	64.5
671.28436	100.0
672.28680	4.3
689.29614	27.5
707.30585	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	725.2279
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03888	0.5
53.04112	0.2
55.05459	0.4
57.03383	0.4
61.02877	0.2
67.05436	0.6
69.03422	1.7
69.07005	0.2
70.06546	0.3
70.21733	0.9
71.04945	0.4
72.08120	0.3
73.02872	0.4
79.05449	0.4
81.03409	1.7
81.07027	0.8
82.07329	0.2
83.08552	0.2
84.08102	0.2
85.02893	2.7
86.09658	0.2
89.05991	0.2
91.05454	0.3
91.94006	0.2
93.06966	0.4
93.96954	0.1
95.04898	0.4
95.08550	0.5
97.02882	1.7
99.04440	2.2
103.03920	1.4
105.06938	0.4
107.08546	0.5
109.02860	1.4
109.10091	0.3
117.06963	0.2
118.06496	0.2
119.08508	0.5
121.10066	0.3
127.03902	3.0
131.04823	0.2
131.08472	0.2
133.10112	0.2
137.05901	0.7
138.06683	0.2
145.04880	0.7
147.04312	0.4
151.07468	0.4
159.08017	0.3
163.03815	0.2
165.05457	3.5
165.09137	0.2
167.03369	0.2
167.06848	0.3
169.04881	0.3
175.07581	0.2
183.02803	0.2
187.05949	0.4
191.07010	0.2
191.10617	0.2
205.06874	0.2
219.06395	0.2
229.05023	0.4
243.06474	0.2
257.04358	0.3
272.06702	0.3
273.07523	0.2
274.04654	1.0
275.05423	0.4
283.05829	0.3
285.03867	0.8
285.06857	0.2
287.05637	0.4
287.09018	0.3
297.03961	0.3
297.07489	0.5
299.05515	0.3
300.06116	1.5
301.06799	0.2
303.05005	2.3
313.03418	2.4
313.06882	0.4
315.04977	0.7
315.08624	0.7
317.06534	0.5
318.07327	0.7
325.03491	0.2
325.06985	0.4
327.04901	0.4
327.08490	0.4
328.05740	9.8
329.06409	0.4
331.04446	4.7
340.09116	0.3
341.03000	0.5
342.07114	0.3
343.04144	0.3
343.08093	4.1
344.08636	0.3
345.06012	0.7
346.06799	8.9
356.05215	0.7
357.13248	0.4
358.10452	0.2
359.03955	0.6
361.09140	12.9
362.09576	0.4
369.06238	0.2
371.07559	4.3
372.07959	0.3
373.05359	0.5
373.09525	0.3
374.06314	1.9
385.09235	0.2
386.09961	2.8
389.08621	54.9
390.08932	2.2
395.23236	0.2
403.10257	0.6
404.10974	9.9
405.11679	0.2
419.13324	100.0
420.13626	2.8
725.41608	0.3
737.56354	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	0.4
55.01846	0.7
55.05474	0.3
55.64019	0.2
57.03433	3.8
59.04987	0.3
60.04503	0.6
61.02914	0.5
68.99772	0.5
69.03394	0.9
69.07062	0.3
69.14413	0.2
70.06586	2.0
71.01331	0.6
71.04985	21.1
71.29588	0.6
72.08144	0.5
73.02885	0.9
75.04457	1.1
81.03380	1.0
83.01317	0.2
83.04949	0.8
84.04471	0.5
84.08121	0.6
85.02896	23.6
86.03188	0.3
86.09674	1.0
87.04427	0.7
93.73677	0.2
97.02866	1.2
99.04422	0.3
103.05427	0.8
105.03385	2.9
109.02846	0.8
111.04395	0.7
111.84479	0.2
119.04965	0.3
120.08091	0.5
121.02873	0.5
127.03871	0.5
129.03345	1.1
129.05479	3.7
129.10228	0.6
131.04883	0.6
136.07593	1.3
137.05919	0.6
141.01794	0.5
145.04979	0.3
147.04373	1.3
147.06468	0.4
149.02303	1.0
161.05919	0.4
163.03903	0.6
165.01813	2.4
167.03363	3.1
177.01801	0.6
181.04900	0.5
183.02890	2.0
187.03908	0.6
191.03424	0.5
195.02844	0.9
201.12329	0.4
205.04854	0.5
213.05455	1.3
215.03304	0.4
223.07532	1.0
223.10741	0.9
226.06190	0.4
229.11789	0.3
233.04424	0.5
239.06952	0.4
240.07739	0.3
243.02954	0.7
251.07016	12.2
253.08549	0.3
254.05742	2.6
255.06471	6.9
257.04410	0.4
261.03903	0.5
261.09012	0.4
263.06967	0.8
265.08585	8.8
267.06494	96.1
268.07172	10.5
269.07996	0.9
273.09137	0.3
274.29861	0.2
277.08517	0.8
278.05704	0.6
279.06519	14.3
279.09967	1.8
280.06891	0.6
281.04630	0.6
281.08087	2.2
289.08499	2.6
291.06433	2.6
292.07248	1.7
293.08035	24.6
294.08350	0.8
295.06039	0.6
297.07550	100.0
298.07892	3.1
305.08051	2.6
307.06308	0.6
307.09598	13.4
308.09818	0.5
310.62668	0.2
317.08112	3.9
319.05963	1.0
319.09479	0.3
321.07538	41.2
322.07941	0.9
333.07550	11.4
334.07767	0.4
335.09067	2.8
337.06845	0.3
339.08167	0.4
345.07544	11.8
346.07813	0.4
351.08600	24.3
352.08990	0.7
363.08606	21.1
364.08926	0.7
366.12918	1.1
381.09653	17.4
382.09650	0.6
399.10715	44.0
400.11246	1.3
417.11765	25.4
418.12198	0.7
425.12039	0.3
443.13232	0.7
459.12888	4.8
460.13376	0.3
483.12823	1.4
493.31427	0.3
494.60104	0.3
509.13934	0.3
513.13855	2.1
525.14020	0.8
527.14984	0.4
543.14941	0.9
545.16675	0.6
561.16003	6.5
562.16174	0.3
563.17468	0.7
579.17065	2.7
651.96448	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.2275
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26818	0.3
53.03916	0.5
55.01844	0.6
57.03424	2.5
61.02890	0.4
62.01566	0.3
68.99757	0.5
69.03390	0.5
69.78889	1.5
69.79324	1.6
71.04981	11.9
81.03368	0.7
83.04940	0.4
85.02894	13.4
87.04428	0.5
92.99760	0.6
97.02829	1.0
103.03934	0.5
103.05444	0.5
105.03378	3.3
109.02824	1.1
121.02843	0.5
129.03322	1.9
129.05467	2.1
133.02805	0.5
141.01772	0.4
147.04337	1.2
147.06349	0.4
149.02246	1.4
163.03923	0.8
165.01801	5.3
167.03415	3.4
177.01762	0.8
181.04900	0.7
183.02850	3.5
186.06671	0.4
187.03856	0.9
189.01817	0.7
191.03387	0.6
195.02940	1.0
205.04872	0.7
213.05460	0.9
215.03413	0.4
216.70303	0.3
223.07568	1.8
233.04356	0.7
239.07018	0.4
240.07753	0.8
242.00949	0.4
243.02966	0.5
251.07004	13.5
254.05730	2.3
255.06494	7.0
261.03882	0.7
263.07025	1.2
265.08591	9.3
267.06485	100.0
268.07224	10.7
269.07935	0.8
273.09219	0.6
275.06955	0.6
277.08578	1.0
278.05609	0.7
279.06525	14.7
279.10043	2.1
280.07004	0.5
281.04660	1.0
281.08075	2.3
282.98373	0.4
289.08542	3.1
291.06607	2.5
292.07263	2.3
293.04520	1.7
293.08026	25.9
294.08615	0.9
295.05951	0.6
297.07544	81.2
298.07852	1.9
304.07303	0.5
305.07993	3.0
307.06110	0.9
307.09616	12.2
308.09946	0.5
309.07520	0.4
317.08002	4.0
321.07538	38.5
322.07870	1.2
333.07523	10.4
335.09067	2.1
345.07544	9.6
346.07922	0.6
351.08582	26.0
352.08884	0.5
363.08585	18.2
364.09106	0.4
381.04730	0.7
381.09653	19.0
399.10709	37.9
400.11206	0.8
417.11731	14.6
425.11984	0.5
443.13254	1.3
459.12894	3.8
481.89935	0.4
483.12827	1.1
513.14001	1.7
543.14911	0.9
561.15936	3.7
579.16882	0.8
656.31958	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.2274
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05482	1.1
56.05005	1.4
57.03412	2.5
59.04984	1.5
61.28671	0.8
65.77339	0.8
67.05527	0.8
69.03409	2.2
69.45547	0.9
69.46092	8.7
70.06590	5.8
70.06897	1.0
71.04982	12.6
72.08156	2.3
78.03763	0.7
81.03402	2.8
81.07047	1.7
83.04988	1.0
83.08575	1.1
84.08129	2.0
85.02898	16.4
86.09689	2.3
87.04449	0.9
89.06005	3.8
91.05477	1.9
93.07022	1.4
95.04959	1.9
97.02863	3.1
98.20707	1.4
102.03791	0.9
103.05480	0.9
105.03376	3.8
105.07018	1.2
107.04926	1.0
107.08567	1.3
109.02849	1.6
110.07174	1.1
116.91000	0.9
119.08549	1.4
120.08049	1.0
121.02827	1.0
121.10092	1.4
127.03933	1.1
129.03325	1.7
129.05463	2.7
133.08566	2.2
136.07518	1.4
137.02296	0.9
137.05965	1.4
147.04359	2.5
149.07375	3.0
163.03947	1.2
165.01793	2.6
165.05315	1.0
165.09044	4.8
167.03368	2.5
167.06961	1.5
183.02798	3.5
195.02789	1.1
204.06433	1.3
213.05508	1.1
223.07535	2.1
251.06967	11.9
254.05676	3.9
254.60547	0.9
255.06496	7.4
255.11227	1.3
265.05051	0.8
265.05917	0.9
265.08597	8.0
267.06485	100.0
268.07162	8.6
279.06540	16.1
279.09882	2.0
281.04526	1.0
281.08029	2.6
283.06329	1.2
287.05438	1.6
289.08542	3.9
289.11688	1.0
291.06433	3.8
292.07285	1.3
293.04694	1.9
293.07986	23.4
297.07553	93.6
299.05289	1.6
305.08005	3.1
307.06161	1.6
307.09595	14.2
309.07709	1.5
313.07025	1.0
317.07944	3.9
317.11307	1.1
321.07547	43.6
322.07867	1.4
333.07520	10.8
335.09015	3.5
337.06946	1.1
339.08582	0.9
344.80505	0.9
345.07605	13.6
351.08627	26.4
363.08600	25.0
381.09689	20.0
399.10727	46.8
417.11737	19.8
418.11826	1.2
443.13110	1.3
459.12903	5.5
483.12701	1.6
513.13733	1.5
543.14221	1.8
561.16071	6.2
571.32861	1.1
724.37012	1.2
725.36743	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	724.4478
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89735	1.8
53.03943	3.7
55.05506	12.5
57.03429	5.4
61.02921	4.5
61.98050	1.9
64.09309	1.9
65.03924	2.3
67.05500	63.8
68.38972	1.9
69.03419	5.6
69.07066	10.1
71.04611	3.0
71.04990	48.3
71.75500	4.0
77.83076	2.0
79.05489	23.6
81.03424	4.2
81.07050	100.0
83.04984	5.3
83.08613	7.5
85.02895	5.0
85.06548	10.9
91.05470	35.4
91.06033	2.1
92.41776	2.2
93.07048	26.1
95.04961	3.7
95.08599	10.7
97.02880	3.1
97.06530	8.2
105.07011	18.8
107.08580	19.4
109.06484	2.5
109.10153	12.6
111.08089	3.0
117.07026	4.6
119.08597	4.8
121.10143	5.4
123.11699	23.5
131.08557	7.3
133.10123	26.9
135.11664	5.8
147.11713	2.4
149.09650	2.1
149.13237	9.6
151.11136	13.7
159.11679	7.7
165.01816	3.7
177.12805	2.2
183.13782	9.8
187.13353	5.8
195.13771	4.5
217.42552	2.4
257.17496	2.6
269.17517	7.5
278.65399	2.2
283.06006	9.0
284.06647	2.3
301.20050	23.3
309.07617	3.4
312.06332	2.1
312.86893	2.2
313.07083	8.4
425.29141	4.3
437.28790	6.7
451.30411	7.6
463.30264	4.1
469.31604	71.6
470.31921	3.0
483.33472	11.3
495.33170	45.2
496.33441	4.3
527.35785	59.6
528.36316	3.1
575.26422	4.9
605.27576	3.6
629.27722	4.9
689.28992	4.8
724.39575	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	725.2274
Annotation	Apigenin 7-rhamnoside-4'-rutinoside
Peak:m/z	Relative Intensity
51.15449	0.5
51.84747	0.5
57.03389	1.9
58.82607	0.5
65.03899	0.6
68.99755	1.0
69.03419	13.9
70.06548	0.5
70.84456	0.9
70.84772	0.5
71.04981	13.7
79.90471	0.5
83.04925	0.8
85.02890	16.4
93.03338	0.5
95.61140	0.5
97.02857	0.7
107.04932	0.5
109.74528	0.5
111.04379	2.0
119.04904	2.4
121.02843	10.8
129.05429	2.5
131.04868	1.1
135.04337	0.8
145.02850	3.3
147.06453	0.9
149.02275	1.2
163.03914	4.5
165.01796	4.5
167.03357	3.0
177.01781	1.1
181.04909	0.6
183.02811	2.6
183.04320	1.0
187.03897	1.0
191.03333	1.0
195.02823	2.0
197.00833	0.5
199.03914	0.7
201.05455	0.8
203.03285	0.6
217.04912	2.0
220.59650	0.5
221.04311	0.8
227.03253	0.5
229.04823	1.2
239.06993	1.4
243.06358	1.2
245.04443	1.8
251.20062	0.5
255.06363	0.6
266.66861	0.4
267.06488	8.6
270.05249	4.9
271.05966	7.6
273.04004	1.5
279.06531	0.6
281.08023	8.5
281.82355	0.6
283.05966	52.0
284.06677	11.8
287.05472	0.9
289.08615	0.7
293.08041	0.5
294.05215	1.5
295.05975	16.0
296.06366	1.1
297.04147	1.3
297.07507	7.9
299.05222	0.7
307.06445	0.8
307.09598	2.6
308.06702	0.8
309.04211	1.2
309.07526	30.6
310.07855	0.8
311.05878	0.7
311.08902	2.9
313.07007	95.8
314.07333	2.1
317.07761	0.6
319.09436	2.4
321.07535	7.7
323.05475	2.5
325.06912	0.9
325.10733	0.9
335.09082	19.5
336.09225	0.8
337.07001	48.0
338.07538	1.0
339.08832	3.3
345.07434	3.5
353.10275	0.8
363.08578	53.6
364.08887	1.6
379.07822	0.8
381.09631	100.0
382.09976	3.8
395.88400	0.7
399.10693	32.2
400.10974	1.1
417.11752	17.4
418.12225	0.8
441.11655	0.9
459.12912	1.2
475.12305	6.9
499.12338	0.7
543.14941	6.5
561.15863	3.8
579.16949	2.2
707.21027	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	724.3747
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72308	0.4
53.03913	1.5
55.01873	3.3
55.05508	11.6
57.03428	4.0
57.47504	0.5
59.04973	0.6
61.02924	4.4
62.15162	0.5
65.03926	0.5
67.05499	15.6
69.03426	6.5
69.07062	12.8
70.06564	1.0
70.29169	1.1
70.29565	1.3
71.04984	2.3
73.02881	1.9
77.19199	0.5
79.05034	0.7
79.05486	13.1
81.02940	0.7
81.03401	7.0
81.07048	16.3
83.04948	2.8
83.08607	6.8
84.08137	0.6
85.02895	7.2
85.06518	1.4
87.04450	0.8
91.03951	3.4
91.05464	11.3
93.07030	11.7
95.04962	5.1
95.08595	7.9
97.02884	8.1
97.06511	2.6
97.10160	8.3
98.55472	0.5
105.07024	8.9
107.04936	4.4
107.08587	7.7
108.08909	0.5
109.02862	0.9
109.06477	1.9
109.10147	6.8
111.04420	1.4
111.08066	2.4
113.48598	0.5
117.07006	4.3
119.04947	1.1
119.08561	6.9
121.06474	1.8
121.09370	0.5
121.10137	4.4
123.08079	2.4
123.11657	1.9
125.05875	0.6
125.09608	5.6
127.03871	1.5
128.06201	0.6
129.06975	3.0
131.08560	5.7
133.06438	2.0
133.10117	5.7
134.07269	0.8
135.08026	2.7
135.11635	2.4
137.09558	1.9
141.06953	0.7
143.08524	2.6
145.04944	1.7
145.06448	1.0
145.10139	4.3
147.08055	5.3
147.11650	3.7
149.09558	2.2
149.13179	1.4
151.11151	1.4
153.09019	0.5
156.09564	0.5
157.10077	2.0
159.08046	0.7
159.11655	2.0
161.09592	2.2
162.10370	0.9
163.05971	0.8
163.11150	1.7
165.09038	1.1
165.12688	0.9
169.12196	0.8
171.10220	0.7
171.11702	1.3
173.09593	0.8
173.13106	0.6
175.11169	2.4
177.12714	1.0
187.11241	0.8
189.11154	3.7
189.12589	0.7
191.10559	0.7
193.12228	4.1
205.12233	1.3
209.11678	0.7
211.13248	2.0
217.12473	0.5
223.13252	11.7
227.12744	5.3
227.17827	0.5
229.14374	1.0
245.13893	1.4
245.18967	1.0
249.14816	1.8
253.14265	1.4
255.17450	1.2
267.15878	4.4
271.15228	0.8
273.18478	10.8
283.15265	1.0
285.16922	12.7
291.19510	77.5
292.19818	2.4
297.17023	0.7
299.05396	0.7
301.16425	0.5
307.19009	0.7
347.22134	3.0
365.23187	100.0
366.23636	2.7
383.24261	0.9
417.22543	0.5
440.83301	0.6
445.94864	0.6
451.26749	1.0
459.27206	0.9
469.27798	0.6
477.28375	2.7
495.29410	1.9
509.31668	0.6
516.79791	0.5
527.27649	0.7
541.97229	0.6
592.25726	0.7
670.27338	0.8
706.29962	0.7
724.38715	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	724.3744
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.3
55.01868	5.0
55.05506	10.9
55.08677	0.8
55.60879	0.8
57.03443	4.9
57.07076	0.8
61.02916	3.7
65.03948	1.3
67.05497	20.2
69.03428	5.6
69.07060	16.7
69.61234	2.2
69.61658	5.2
70.02868	0.8
70.06589	1.9
71.04989	3.6
72.08144	1.7
73.02914	2.0
79.05482	13.9
81.03408	8.3
81.06612	1.7
81.07050	23.5
82.07410	0.8
83.04977	3.7
83.08614	8.1
84.08139	1.1
85.02896	6.3
85.06523	1.7
91.03936	3.4
91.05473	13.9
91.62181	0.8
92.82004	0.9
93.07034	15.8
95.04957	6.2
95.08604	11.0
97.02885	8.2
97.06521	2.5
97.10171	8.5
105.07030	12.1
107.04924	6.5
107.08580	12.3
109.02815	1.4
109.06506	2.8
109.10143	10.5
111.04446	1.2
111.08038	1.8
115.05367	1.0
117.06994	4.6
119.08562	8.5
121.06486	3.8
121.10157	5.4
123.08070	3.2
123.11678	2.8
125.09610	6.4
127.03929	2.0
129.07016	2.8
131.08545	8.2
133.06526	4.2
133.10121	10.4
135.08052	4.2
135.11684	4.3
137.09651	1.8
143.08553	2.9
145.04964	1.9
145.06461	2.0
145.10114	5.6
147.08031	4.3
147.11647	3.9
149.09608	3.6
149.13249	1.6
151.10114	1.2
151.11118	5.2
153.09091	0.9
155.08539	1.3
157.10133	3.7
159.08080	1.4
159.11703	2.7
161.09630	1.8
161.13269	1.0
163.03946	1.0
163.05948	0.9
163.11172	2.9
165.09102	2.7
165.12755	1.3
169.12177	1.2
171.11720	1.4
173.09593	1.6
173.13159	1.2
175.11208	2.3
177.09009	1.1
177.12825	0.9
184.07294	1.8
185.13313	1.4
187.11176	1.2
189.05441	1.0
189.11240	3.0
192.43254	0.8
193.12236	3.3
202.21495	1.1
204.80460	0.9
205.08585	1.0
211.13281	1.9
215.12691	0.9
223.13269	10.6
227.12798	2.8
233.15433	0.9
245.18991	1.5
253.14317	4.9
255.17242	1.5
263.19980	1.1
265.14273	1.6
267.16003	2.7
269.17773	1.1
271.15366	1.5
273.18463	9.8
283.15417	1.7
285.16946	7.9
291.19510	50.4
292.19421	1.3
347.22015	5.0
365.23190	100.0
366.23447	2.7
369.20651	1.2
383.23871	1.0
399.21655	1.4
417.22586	2.2
443.24249	3.5
451.26892	2.2
459.27155	1.4
461.25247	1.9
473.25171	1.0
477.28528	4.0
491.26334	1.8
495.29294	3.7
509.27542	3.4
527.28339	2.6
574.24890	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.4668
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49546	4.0
53.03925	6.7
55.01867	5.4
55.05492	16.2
57.03411	8.2
57.07075	4.0
65.03924	6.4
67.05194	6.6
67.05498	77.5
69.03413	13.9
69.07046	17.2
69.51277	25.9
69.51691	13.2
69.65446	4.3
71.04980	22.2
79.05486	38.4
81.03409	27.4
81.03822	5.2
81.07047	100.0
83.04979	24.7
83.08595	13.3
85.06536	7.0
90.48976	4.5
91.05472	34.2
93.07039	43.7
95.04925	8.3
95.08604	35.3
97.02911	5.4
97.06530	6.6
97.53432	4.2
105.07010	20.9
107.08556	28.9
109.10143	21.1
112.48379	4.3
117.06979	7.8
119.08588	12.7
121.10104	16.5
123.11688	13.6
129.05457	10.6
129.06992	8.2
131.08539	18.5
133.10083	21.6
133.69485	4.5
135.11678	10.0
143.08591	7.2
145.10117	7.1
147.11665	10.4
149.13246	8.1
151.11102	12.3
159.11664	9.9
161.13197	5.0
169.12288	7.8
173.04553	6.0
177.12779	5.8
182.42371	4.5
187.13266	16.8
243.15942	5.7
261.21964	6.3
335.25653	19.6
369.24323	5.3
406.41013	4.7
503.37088	36.9
505.38968	16.4
529.38464	6.2
561.41656	27.8
673.42889	8.9
705.45032	7.6
723.46405	41.9
747.28699	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	723.3015
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93620	1.6
55.05489	5.3
55.63440	1.6
57.03419	2.6
61.02873	1.6
67.05501	12.1
69.07066	3.0
71.04992	1.6
71.75057	2.3
79.05478	7.7
81.03410	4.1
81.07051	12.9
83.04973	2.1
83.08598	2.8
91.05486	9.5
93.07046	7.7
95.04968	2.8
95.08585	7.1
105.07010	5.7
107.08588	6.2
109.10180	2.1
117.06965	1.9
119.08591	5.4
121.06445	1.6
121.10158	4.4
129.07042	1.9
131.08533	3.2
133.10121	4.8
143.08611	2.0
145.10146	3.3
147.11609	2.1
157.10115	2.6
159.11690	2.3
164.29269	1.6
183.11696	2.4
196.09808	2.4
209.10553	2.1
210.11432	1.8
211.12125	2.3
221.10783	2.9
223.12100	2.7
224.09483	1.8
224.12965	1.8
237.10240	2.9
239.11749	16.5
253.13365	2.8
259.12326	2.1
261.13766	2.5
263.11694	2.3
275.15540	2.7
275.20166	2.1
291.11353	2.1
351.13498	3.7
387.16608	3.3
388.17435	1.8
389.17654	2.5
390.18616	2.5
403.19257	5.4
404.19998	4.7
405.20599	6.8
417.17001	6.0
419.22415	11.0
420.22998	2.5
431.18375	7.6
432.19290	4.5
433.20398	11.3
435.21497	2.9
445.20172	7.6
446.20926	7.8
447.21893	12.4
448.22275	5.4
459.17316	2.8
461.19662	24.8
465.16476	5.1
467.18060	2.3
473.19431	2.5
474.20471	7.4
475.21085	15.2
476.21783	6.7
483.17654	4.5
487.20834	3.8
491.20633	2.1
493.22125	2.6
501.21930	2.2
533.19159	1.8
533.25568	20.9
534.25787	5.3
543.36572	4.0
547.23212	2.5
561.24957	48.4
562.25226	9.5
589.24664	2.3
593.27417	5.3
621.27026	100.0
622.27393	28.1
645.27393	2.1
663.28174	30.4
664.28021	3.9
673.25830	2.4
687.28119	11.3
691.26953	3.8
695.30762	5.4
705.29211	32.2
705.41028	2.9
706.29602	3.0
723.29260	28.2
724.30542	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	722.4319
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	2.1
55.01850	1.8
55.05503	9.8
56.11242	0.8
57.03432	4.3
57.07057	3.6
61.02919	20.1
64.50216	0.8
65.03923	1.6
67.05496	59.8
69.03415	3.9
69.07068	12.1
69.62476	4.6
69.62898	2.4
71.01351	0.9
71.04977	3.0
71.08622	1.1
73.02911	6.6
75.04465	1.0
75.10461	0.8
77.03902	1.3
77.67905	0.8
79.05483	34.8
81.03392	4.0
81.07043	69.4
82.07372	1.8
83.04962	1.3
83.08607	7.7
85.02897	20.7
85.06541	1.9
85.10174	0.8
91.03944	20.5
91.05457	15.7
93.07028	41.6
94.07341	1.2
95.01278	1.0
95.04951	4.2
95.08593	58.7
96.08917	1.1
97.02879	10.0
97.06507	2.7
97.10139	5.3
98.20714	1.9
99.04438	1.7
99.08061	2.3
100.81255	0.8
105.07018	11.8
106.07356	1.0
107.08578	32.4
109.02890	1.3
109.06490	1.5
109.10143	34.3
111.08118	1.3
111.11737	1.2
116.80194	0.8
117.07019	7.8
119.08553	10.7
121.06476	1.2
121.10129	29.2
121.10978	1.8
121.21245	0.7
122.10478	0.9
123.08046	1.5
123.11684	17.1
125.09663	1.1
127.03900	6.6
129.06993	2.3
131.08553	14.7
132.08951	1.1
133.10092	11.3
134.10486	1.1
135.11671	24.9
136.12018	1.6
137.09561	1.8
137.13219	5.3
139.11154	1.4
143.08580	1.6
145.04953	10.8
145.10106	10.5
147.11676	8.1
149.13243	14.5
151.11139	1.6
151.14798	2.6
153.12666	1.1
157.10153	1.4
159.11684	9.7
161.13182	5.0
163.05997	16.5
163.14793	6.7
165.12715	2.1
167.14310	1.1
169.10104	1.1
173.11839	1.1
173.13219	7.9
175.14740	6.2
177.16379	4.6
179.14320	1.7
187.14771	4.8
189.16383	3.5
191.17896	2.8
193.15865	1.5
196.13731	1.2
201.16397	2.8
203.18126	1.0
205.15878	1.6
207.17537	1.9
215.17868	2.0
219.17348	2.3
233.19017	3.4
247.20610	1.4
261.22079	1.1
261.25702	3.3
265.46118	0.9
271.24164	14.3
289.25220	100.0
290.25626	2.8
291.26752	2.2
301.16132	0.8
307.26270	2.7
335.25961	1.2
342.15536	0.9
345.27957	1.9
351.14496	1.4
363.28925	22.0
381.29962	45.4
382.30386	2.1
443.47253	0.9
528.37518	2.9
686.39935	1.1
704.40466	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	722.3581
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.4
54.85868	0.7
55.01869	6.4
55.05504	13.8
57.03424	2.5
61.02910	3.0
65.03926	2.1
66.27547	0.7
67.05496	15.1
68.99756	0.7
69.03414	5.3
69.07060	5.6
69.99563	0.8
70.06562	1.4
70.86499	1.7
70.86871	1.5
71.01339	1.5
71.04974	1.9
72.08118	0.7
73.02910	1.0
77.03929	0.8
79.05027	0.9
79.05486	13.3
81.03405	6.7
81.07043	19.0
83.01350	1.2
83.04971	2.6
83.08610	12.0
85.02898	6.1
85.06528	1.3
91.03941	1.8
91.05472	15.1
93.07032	13.4
95.01318	6.5
95.04939	5.5
95.08598	12.0
97.02875	4.9
97.06497	2.0
97.10167	3.0
99.34464	0.8
103.03956	0.9
103.05448	1.6
105.03387	2.6
105.07014	12.9
107.04935	4.7
107.08583	7.6
109.02870	2.8
109.06512	4.6
109.10149	7.2
111.04455	0.9
111.08096	2.1
113.02367	1.1
115.05453	1.5
117.06985	6.4
119.04942	2.1
119.08580	9.6
121.02891	1.2
121.06483	4.2
121.10138	8.0
123.04415	2.6
123.08044	4.1
123.11705	2.1
125.02348	2.5
125.09622	1.8
127.03915	1.3
127.11205	4.2
128.06187	1.5
129.06979	5.5
131.04915	2.8
131.08551	10.7
133.02837	0.7
133.06473	2.9
133.10117	7.6
135.04382	1.8
135.08057	3.5
135.11678	3.4
137.02306	1.3
137.05943	1.6
137.09631	2.6
139.03854	1.5
139.11122	0.8
141.01794	1.3
141.06969	2.9
142.07767	1.3
143.03383	0.9
143.08551	6.2
145.06458	5.0
145.10091	6.9
147.04411	2.2
147.08098	3.6
147.11670	8.1
149.02339	1.2
149.05984	2.7
149.09599	4.1
149.13222	1.3
151.03836	1.9
151.11133	1.5
153.05556	1.2
153.06891	1.1
154.07784	1.3
155.03371	1.5
155.08514	4.0
157.06517	3.1
157.10106	5.2
159.04408	1.5
159.08034	4.7
159.11662	4.6
161.05972	3.2
161.09563	3.6
161.13234	1.3
163.03870	4.7
163.07486	2.1
163.11179	2.4
165.05540	1.4
165.06894	1.4
165.09096	1.1
165.12711	2.5
166.07777	1.1
167.03380	1.2
167.08597	1.7
169.04893	0.8
169.10109	4.3
171.04367	1.5
171.08060	3.2
171.11583	4.1
173.05998	3.8
173.09578	4.2
173.13234	1.7
175.03876	2.1
175.07564	2.4
175.11203	2.9
177.01836	4.0
177.05478	1.6
177.09079	1.5
177.12775	1.1
179.03395	1.5
179.08499	1.7
179.10799	1.1
181.10098	1.7
182.07281	1.0
183.08081	2.5
183.10199	1.2
183.11673	2.1
185.05925	1.6
185.09590	2.7
185.13275	1.4
187.03914	2.6
187.07549	4.0
187.11183	5.5
189.05444	3.8
189.09047	3.6
189.12808	1.9
191.06973	1.3
191.10747	2.2
195.08153	1.0
195.11668	1.5
197.06010	0.9
197.09642	4.3
197.13321	1.4
199.03989	2.0
199.07594	1.7
199.11090	4.1
201.05521	3.1
201.09077	4.1
203.06915	4.1
203.10683	3.0
203.14171	0.8
205.05046	1.0
205.08530	1.6
205.12256	1.2
209.09639	2.3
209.11552	1.1
211.07588	1.7
211.11172	1.7
213.05475	2.6
213.09134	2.1
213.12798	1.0
215.07054	2.0
215.10608	7.4
217.04951	2.0
217.08571	2.5
217.12195	1.4
219.10133	1.8
221.04256	0.9
223.11205	1.2
223.13126	0.8
225.09091	5.8
225.12750	1.0
227.07037	2.1
227.10654	3.9
227.12608	0.9
229.08562	3.4
229.12213	1.0
231.10214	2.5
233.08099	0.9
233.11635	3.6
235.05965	3.8
237.11072	1.5
239.07152	1.2
239.10690	2.1
241.08582	3.0
241.12267	1.5
241.19594	1.5
243.10110	11.7
245.11790	2.0
247.09590	1.1
253.08603	2.0
253.12201	1.1
255.10175	2.2
257.11758	1.3
257.19086	1.3
259.09677	2.3
259.20514	5.9
261.07730	0.9
261.11209	5.7
263.12738	1.0
267.10083	1.9
267.12552	1.1
267.15646	0.9
269.11795	1.2
271.09714	2.6
275.20001	6.1
279.12262	0.9
281.11707	1.2
289.10629	6.9
297.18716	1.3
299.12814	2.4
307.11783	7.5
315.19757	1.3
317.13898	2.2
325.12790	32.4
326.13409	1.0
327.12259	1.6
327.19473	2.5
329.13977	0.9
337.17963	1.3
345.13196	4.6
347.14978	2.2
349.23676	1.9
351.19498	2.4
353.21036	1.2
355.19101	3.0
359.18631	0.8
361.17752	0.9
363.14389	1.8
367.19086	7.2
369.20508	2.2
369.26221	1.0
379.19150	4.7
385.20282	1.0
387.21594	1.5
397.20093	14.3
415.21103	51.9
416.21448	2.2
419.17050	2.4
433.22180	15.3
434.22888	1.4
437.18243	4.1
439.26938	2.2
441.22723	25.1
442.23029	1.7
447.23874	1.3
451.23245	29.6
452.23212	1.0
453.22961	1.5
459.23840	6.7
471.23724	7.9
489.24802	36.0
490.25171	2.4
507.25842	47.8
508.26242	2.8
525.26904	100.0
526.27338	5.2
543.28052	9.0
577.26379	1.2
618.80389	0.9
651.30164	1.0
722.40607	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	722.3581
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.5
55.01865	8.6
55.05504	10.4
57.03416	3.6
61.02907	3.8
65.03933	1.4
67.05502	17.8
67.75023	0.9
69.03426	5.2
69.07056	9.2
69.56586	7.1
70.06580	1.0
71.01340	1.1
71.04965	2.3
73.02879	1.6
79.05483	16.5
80.05804	0.8
81.03410	6.7
81.07047	39.7
83.01311	1.5
83.04968	3.0
83.08614	7.3
85.02882	4.6
85.06536	2.4
88.07619	0.8
91.03964	1.5
91.04919	1.3
91.05472	19.6
93.07026	16.0
95.01316	4.6
95.04947	7.1
95.08592	11.1
97.02871	3.2
97.06506	3.7
97.10154	2.3
99.04422	1.5
99.08073	1.0
100.17682	1.0
105.07016	22.5
107.04930	3.8
107.08575	10.5
109.02840	1.9
109.06506	10.0
109.10139	3.3
111.04422	1.0
111.08067	1.7
113.86285	0.7
115.05450	2.5
117.07012	7.9
119.04949	2.6
119.08567	17.1
121.06487	5.1
121.10136	9.6
121.87938	0.8
123.04378	2.4
123.08051	3.4
123.11666	4.3
125.02330	1.4
125.09595	1.4
127.03880	4.0
128.06216	3.5
129.01862	0.8
129.07001	7.4
131.04897	2.3
131.08562	11.8
133.06448	4.2
133.10112	10.7
135.04378	1.2
135.08035	4.6
135.11667	3.9
137.09573	1.7
139.03839	1.1
141.01802	2.6
141.06992	3.8
142.07709	1.3
143.08553	6.5
145.06470	6.6
145.10083	7.3
147.04384	2.9
147.07999	3.4
147.11661	13.9
149.02318	1.2
149.05978	1.9
149.09619	4.7
149.13211	1.6
151.03893	1.8
151.07460	1.1
151.11139	1.9
153.06969	1.0
155.03461	1.1
155.08562	4.7
157.06502	2.0
157.10126	5.3
159.04427	2.7
159.08087	6.1
159.11684	4.6
161.05983	3.4
161.09579	2.7
161.13281	1.4
163.03886	4.5
163.07549	1.1
163.11174	3.2
165.05481	1.1
165.06912	1.7
165.12735	5.5
166.07756	1.1
167.03363	1.0
167.08534	2.5
169.06454	2.3
169.10043	4.4
171.08035	3.4
171.11667	3.4
173.05942	3.2
173.09608	3.8
173.13269	3.0
175.03889	2.6
175.07539	4.3
175.11162	3.7
177.03867	1.2
177.05418	2.2
177.09059	2.6
177.12744	1.1
178.07819	1.3
179.08528	1.4
181.06432	0.9
181.10089	2.5
183.08075	2.6
183.11650	2.9
184.08762	0.9
185.05910	2.3
185.09581	4.4
187.03868	3.1
187.07448	3.9
187.11200	3.2
189.05424	3.4
189.09111	3.6
191.03514	1.0
191.07030	1.5
191.14236	1.0
193.10095	1.0
193.12227	1.8
195.08075	2.3
195.11575	2.0
197.05969	1.6
197.09584	3.5
197.13240	1.5
199.03865	4.5
199.07520	2.2
199.11168	3.0
201.05452	4.4
201.09111	4.3
203.07028	3.5
203.10645	1.7
205.08571	2.8
209.09619	2.1
211.07507	2.5
211.11115	2.3
211.14769	1.1
212.08035	1.0
213.05452	6.5
213.09061	3.5
213.12646	1.1
215.07013	3.8
215.10616	1.9
215.14320	1.0
217.04895	1.9
217.08534	5.1
223.11147	2.0
225.05449	1.2
225.09108	4.1
225.12720	1.5
227.07045	2.5
227.10629	2.8
229.08542	3.2
229.14243	1.0
229.19440	1.5
231.06442	1.2
231.10040	1.8
235.05928	2.0
237.09058	1.5
239.07103	1.8
239.10637	2.5
239.17950	1.5
241.08574	5.8
241.12167	1.4
243.10110	4.2
245.11739	1.6
247.06000	1.4
247.20418	1.0
251.10733	1.8
253.08482	2.1
253.12180	1.0
255.10124	3.5
257.08026	1.7
257.11841	2.1
257.18951	2.4
267.10172	1.9
267.15894	1.8
269.11639	1.7
271.09772	1.2
271.12830	1.0
273.18439	1.4
275.20032	18.7
281.11862	1.3
285.16983	1.4
293.20950	1.5
299.12836	1.1
311.12744	2.6
317.13879	1.1
323.20010	1.4
325.14145	1.0
327.12061	1.1
327.19424	3.6
333.13278	1.2
333.18213	1.3
337.18051	1.1
341.17374	1.2
341.21136	1.1
345.13358	1.9
347.14835	1.0
349.17834	2.1
349.23737	1.9
351.19495	3.6
355.18964	3.8
361.17578	1.1
367.19009	14.0
369.20514	3.3
379.19006	8.6
381.20499	1.2
387.21613	3.2
397.20087	18.1
398.20566	1.1
415.21112	33.8
429.22681	1.8
433.22162	15.5
437.18195	2.6
441.22678	32.5
442.22925	1.4
447.23758	2.6
451.23199	11.6
452.24075	0.9
453.22632	3.5
459.23746	22.8
460.23795	1.1
471.23740	14.3
475.23547	1.1
489.24759	30.1
490.24936	1.2
507.25845	100.0
508.26175	4.9
525.26892	34.9
526.26959	1.8
529.24127	1.1
541.24408	1.9
559.25269	2.5
577.26404	4.9
595.27655	1.1
722.40247	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.3766
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	1.8
67.05501	3.6
79.05495	3.5
81.03382	1.6
81.07052	3.9
89.46947	1.1
91.05454	3.0
91.59886	1.2
93.07039	3.8
95.08633	2.5
105.06976	1.9
108.56958	1.0
108.61029	1.2
129.06947	1.3
145.10150	1.4
158.36931	1.1
197.49637	1.2
291.80841	1.1
295.12650	1.2
301.43524	1.1
308.09296	1.3
321.57526	1.1
541.38861	2.7
721.37622	100.0
722.38104	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	721.451
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98164	2.6
53.03933	8.0
55.01851	8.4
55.05304	2.9
55.05510	26.6
57.03425	9.4
57.07058	5.9
61.02925	4.0
62.79774	2.8
67.05500	75.9
69.03423	12.5
69.07067	20.2
70.51177	2.5
71.04991	21.3
71.75718	3.5
72.08108	2.6
73.44927	2.7
79.05486	55.5
81.03416	27.5
81.07052	100.0
81.46662	2.7
82.04967	2.9
83.04974	11.1
83.08608	14.7
85.02908	8.2
85.06521	8.7
91.05470	64.0
93.06496	5.1
93.07037	54.4
95.01304	5.8
95.04958	14.5
95.08599	37.6
97.02872	13.6
97.06524	13.6
97.10163	4.4
99.04443	3.2
99.08036	3.6
101.51199	2.7
105.07027	49.2
107.04948	9.6
107.08582	29.9
109.02857	5.8
109.06501	10.1
109.10141	16.9
110.16763	3.3
111.04405	3.2
111.08039	4.8
115.05493	3.0
117.07004	18.5
117.23671	2.9
119.08574	32.1
121.06508	4.6
121.10133	23.7
123.04494	3.7
123.11703	12.2
125.09607	4.8
127.03920	4.0
128.06184	4.2
129.05476	3.9
129.06993	13.9
131.08568	33.3
133.10112	34.1
135.08044	5.3
135.11700	17.4
137.02589	3.0
141.07001	6.8
142.09744	2.5
143.08540	15.7
145.06505	4.3
145.10098	21.1
147.04289	2.7
147.11671	24.3
149.09691	4.6
149.13261	11.0
151.11139	6.8
154.07802	2.5
155.08522	6.6
157.10097	16.6
159.11678	21.9
159.68935	2.6
161.13274	10.8
163.11229	4.1
163.14832	3.8
165.12810	5.2
167.08612	4.7
169.10168	8.8
171.07951	3.8
171.11656	16.9
173.04463	11.8
173.05833	3.2
173.09599	3.3
173.13219	10.6
175.11101	9.3
175.14856	5.2
183.08177	2.8
183.11740	9.3
185.13235	10.4
187.11278	2.7
187.13287	6.5
187.14864	5.6
189.12700	4.2
193.12221	4.7
196.84903	3.2
197.13254	7.3
197.15211	3.3
199.14851	4.1
207.11717	4.7
223.84497	2.8
241.19579	4.9
243.09731	3.0
243.15945	4.8
257.17349	5.1
259.20602	12.1
261.22198	12.9
269.17276	3.9
275.20056	4.3
285.21988	4.2
305.13641	4.8
315.23160	4.0
317.24841	3.8
323.14603	3.3
333.13403	6.5
333.24347	6.9
335.25720	8.1
351.14471	5.4
367.22543	4.1
377.84821	3.0
407.17010	3.0
413.21741	5.1
501.35489	18.5
503.37305	54.8
509.36353	4.9
527.37292	30.6
545.38770	5.6
559.39355	5.5
581.38123	3.8
611.36676	3.4
627.39417	4.0
667.40747	4.9
685.39838	8.7
689.42120	7.6
703.41138	7.6
721.41260	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	718.5303
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	1.4
57.07068	56.5
59.04711	1.0
59.04995	14.6
69.07060	1.6
70.19012	1.2
70.19427	1.4
71.08623	55.1
73.02909	0.6
73.06542	4.7
76.30397	0.5
81.07058	0.7
83.08608	1.9
85.06565	0.6
85.10172	50.0
87.04461	15.2
87.04999	0.9
89.06020	100.0
91.07561	0.5
95.02019	0.5
99.11720	5.4
103.07566	7.8
107.07065	4.1
117.09114	4.4
130.08623	3.5
130.62497	0.5
131.07019	6.0
131.46025	0.5
133.08589	74.5
134.08887	0.8
135.10036	0.7
138.93172	0.5
141.16362	4.1
161.11708	0.9
175.09654	4.3
177.11205	30.6
179.12836	0.7
199.20540	4.7
219.12250	1.9
221.13855	4.6
237.31531	0.5
239.14841	1.5
243.23138	4.3
265.16434	1.6
283.17477	2.7
309.18961	1.0
327.20105	1.4
353.21539	1.0
371.22632	0.8
397.24435	0.7
415.25143	0.7
459.27994	0.9
485.29736	0.5
503.23865	0.6
503.30597	5.7
543.33801	0.8
718.53162	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.1664
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99857	1.5
69.03404	0.7
70.42877	0.6
71.73593	1.3
77.00887	1.9
81.03392	1.0
82.99855	0.8
83.66103	0.6
85.02898	0.8
91.05463	2.7
94.99932	0.7
95.01915	1.0
97.02917	1.0
101.00853	6.0
101.01374	0.6
101.92553	0.6
105.00356	0.7
106.85108	0.6
109.02845	0.8
113.00903	1.4
115.02439	1.7
119.01911	28.3
119.04933	10.7
127.02416	0.9
129.00310	1.2
131.01891	11.7
133.03450	2.8
133.06442	2.1
137.02950	5.2
143.01888	19.9
145.03461	12.5
147.01385	4.7
147.04391	100.0
148.04747	2.0
149.02960	2.4
155.01894	11.4
157.03484	6.5
161.02956	30.6
163.04472	2.2
167.01921	4.2
168.02751	1.0
168.05026	1.0
169.03474	2.0
171.01369	2.0
171.05013	2.0
173.02951	23.3
174.03146	0.8
175.04523	2.4
177.02444	1.8
179.01851	2.0
181.03432	1.5
183.01482	1.0
184.04539	2.1
185.02950	30.5
186.03146	1.0
187.00781	0.8
187.02937	0.9
187.04478	4.3
189.02467	1.6
189.06139	0.9
191.04051	1.2
193.03502	1.1
196.04530	2.2
197.02936	11.7
197.06575	1.9
199.04538	1.1
201.02444	2.2
203.03996	12.5
205.01883	1.0
205.03459	8.2
207.05020	1.4
208.04553	1.7
209.02937	0.7
211.04506	2.1
213.02461	1.2
215.03983	7.3
219.05075	1.6
220.04491	0.8
221.04971	4.1
223.04504	16.8
226.05484	0.7
227.03957	6.9
229.03491	8.8
230.03595	0.8
233.03177	1.4
237.06036	2.9
239.03976	1.3
241.03427	1.6
241.05563	12.8
243.05093	2.0
245.05052	63.7
246.05367	2.0
247.04517	41.3
248.04684	1.0
249.06000	1.4
251.02335	1.0
255.07242	0.8
257.04993	3.4
259.04770	9.6
261.06262	7.1
263.03778	1.4
263.06110	8.8
264.06952	0.8
265.05557	50.0
266.05740	2.1
269.02911	1.7
270.06058	2.0
273.06116	4.6
275.02161	4.1
275.06085	7.3
277.03766	1.3
277.05722	1.2
279.03961	1.3
279.07053	3.4
281.05075	0.7
283.06638	10.7
285.04523	3.9
286.07657	1.0
287.04034	9.7
288.07166	2.5
289.05627	3.5
291.07022	3.5
293.03580	2.2
293.07162	2.0
295.06506	2.0
297.04565	1.4
299.04184	1.1
301.05557	3.6
303.06055	0.9
305.07642	5.1
307.06552	7.5
315.03561	1.4
317.03970	1.0
318.85867	0.7
319.06586	2.0
323.05698	2.3
325.07626	1.2
329.04913	1.4
331.06625	1.9
333.04623	1.3
335.04700	1.7
335.08337	1.9
337.07449	1.0
347.05920	1.3
349.07675	10.8
350.08197	1.0
351.05594	2.6
353.06516	0.9
359.04541	4.6
361.03970	9.4
365.09317	6.2
367.08722	11.7
368.09146	0.9
377.05518	6.7
379.00916	1.0
379.05099	6.8
384.05600	1.0
389.07031	2.3
391.08786	1.4
393.06711	0.9
395.06757	4.7
397.06104	18.1
403.05023	4.7
404.05032	0.7
405.06509	1.7
409.09653	0.9
413.07507	1.0
415.07104	2.4
420.07645	1.6
421.06085	21.2
421.11429	1.4
422.06354	1.7
431.08246	9.5
432.09180	0.8
433.06125	2.7
439.07153	22.9
440.07407	1.1
444.07596	1.1
449.09158	4.3
451.07098	8.4
457.08054	2.6
462.08975	1.7
463.07568	1.4
469.08179	4.1
481.08139	5.8
499.09396	4.7
505.08270	4.2
523.09259	17.9
524.09460	2.0
529.14026	5.2
539.10785	1.4
541.10400	17.0
557.11810	2.2
559.11096	3.7
642.51147	0.8
685.14093	2.6
703.15424	6.0
721.16229	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.4362
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	3.4
55.05509	15.7
55.27947	2.3
57.03419	10.5
57.07068	3.5
59.04980	2.8
61.02920	5.0
63.05528	2.1
65.03921	3.8
66.41808	2.1
67.05497	100.0
69.03409	7.8
69.07053	15.2
70.06562	2.8
70.07399	2.4
71.04961	4.1
71.75156	4.0
76.44058	2.1
79.05483	27.1
81.03405	13.1
81.07047	53.6
83.04951	4.7
83.08602	12.9
85.02900	5.0
85.06557	4.0
86.09694	2.3
89.06051	3.2
91.05467	34.6
93.07027	31.7
95.04953	10.7
95.08601	19.2
97.02885	5.0
97.06522	10.2
97.10126	2.7
99.08067	2.8
101.06038	2.4
105.07009	21.6
107.04958	5.6
107.08572	19.6
109.02852	3.7
109.06513	6.1
109.10146	65.5
110.48916	2.0
111.08040	8.1
117.06999	9.4
119.08551	18.0
121.10136	8.1
123.08162	2.7
125.09624	4.2
127.03924	3.2
129.06982	4.7
131.08525	12.0
133.10101	16.5
135.08046	3.5
135.11670	11.7
137.09595	4.9
145.10107	7.7
147.11673	7.5
149.02322	7.8
149.09604	5.8
149.13226	5.4
151.11121	4.0
155.10651	3.8
157.10117	3.8
159.11688	8.6
163.11127	5.3
173.04395	3.1
173.11755	17.0
173.13138	3.5
179.50334	2.2
193.04953	9.9
195.13814	4.9
216.17732	2.0
229.14340	52.3
237.07567	5.8
245.13947	2.9
255.15837	7.0
255.79684	2.5
257.19159	2.6
269.17404	16.5
275.19977	18.3
293.20966	5.0
296.23328	2.8
341.06531	2.4
349.23755	14.1
367.24692	3.2
385.09030	4.6
409.25845	17.9
423.27365	69.0
427.19614	2.3
429.11816	12.8
501.28214	2.5
503.33676	20.6
521.34650	6.3
567.31439	4.8
718.38281	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	718.4362
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37048	0.8
53.03934	1.7
53.92004	1.1
55.01862	5.8
55.05507	15.3
57.03428	11.9
57.07058	1.6
59.04980	4.5
61.02913	2.2
65.03922	3.4
67.05499	100.0
69.03419	6.0
69.07064	18.7
69.66330	5.9
69.66759	2.5
71.04986	6.5
79.05484	25.5
81.03409	10.1
81.07052	42.2
83.04971	5.3
83.08613	11.1
83.61401	0.9
85.02897	5.6
85.06530	4.4
91.05473	21.5
93.07037	28.8
95.04961	6.3
95.08601	19.0
97.02861	3.7
97.06537	6.8
97.10164	6.8
98.20701	2.3
99.08036	1.8
100.89923	0.9
105.07031	16.5
107.04935	6.0
107.08588	20.3
109.02893	1.6
109.06509	3.0
109.10149	73.4
110.09728	1.0
110.10503	1.5
111.08061	4.6
115.05473	1.2
117.07027	8.5
119.08584	18.4
121.06516	2.9
121.10137	7.1
123.08076	1.6
123.11713	2.1
125.09609	5.6
127.03899	4.0
127.11124	1.1
129.05472	1.1
129.06978	3.6
131.08556	10.1
133.06584	1.2
133.10121	10.6
135.08058	3.4
135.11691	7.7
137.09595	4.2
141.06990	1.5
143.08572	2.5
145.10101	9.3
147.11626	4.2
149.09601	8.1
149.13231	4.6
151.11203	1.1
155.10681	3.7
157.10100	3.0
159.10568	1.3
159.11653	6.1
161.13269	2.2
163.11157	3.9
170.24536	1.1
171.11714	2.9
173.11742	21.1
173.13234	3.2
177.12643	2.5
181.12157	1.8
183.11723	1.6
187.11111	1.1
189.11185	3.6
195.13805	2.2
227.12773	10.1
229.14336	56.1
239.17973	2.1
247.20569	2.4
250.22273	1.2
255.15874	3.6
257.19000	4.9
269.17416	10.0
275.20041	18.2
293.21155	2.1
331.22696	1.3
349.23721	15.7
367.24863	3.1
368.18384	1.2
385.49155	1.0
399.23724	3.7
409.25827	12.0
423.27402	45.6
503.33560	21.6
521.34515	4.0
718.45367	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	717.4024
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	0.6
62.30108	0.5
67.05499	1.0
71.08611	0.7
71.76100	0.7
80.28856	0.6
81.07057	0.7
84.99614	0.4
89.06020	0.6
91.05492	0.6
105.95587	0.5
107.08594	0.6
185.04199	1.2
192.66261	0.5
216.60593	0.5
344.07034	0.6
347.09457	1.2
389.87070	0.5
555.34961	20.6
556.34827	0.7
581.94708	0.6
681.28473	0.6
717.39996	100.0
718.40295	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	718.4213
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.7
55.01854	2.9
55.05507	43.6
57.03428	3.8
57.07069	20.1
59.04993	9.6
61.02911	1.8
66.26936	0.9
67.05498	9.3
68.99782	1.1
69.03424	10.9
69.07061	69.8
70.06583	4.2
71.04974	4.4
71.08615	2.8
71.72810	1.0
71.73235	1.6
73.02908	1.4
79.05470	3.4
80.04984	1.0
81.03403	10.5
81.07045	17.9
83.04975	1.9
83.08610	100.0
84.08129	1.9
84.08939	1.1
85.02899	21.3
85.06541	2.4
86.09714	1.3
87.00814	7.9
87.04446	3.1
89.06022	57.0
91.05476	3.3
93.07030	2.7
95.04965	1.4
95.08592	13.8
96.34306	1.1
97.02884	7.0
97.06503	1.4
97.10156	28.4
99.04450	3.5
99.08075	3.4
103.07520	2.3
104.54636	0.9
105.01839	5.8
105.07041	1.8
107.07045	2.0
107.08576	2.3
109.02868	10.5
109.10121	8.8
111.04407	1.6
111.11707	2.0
113.09642	1.1
116.07076	1.1
117.01791	1.3
117.09130	1.1
119.08582	2.8
121.10148	1.7
123.11686	4.0
125.13267	10.7
127.03905	10.1
131.04912	1.2
131.07033	1.7
131.08577	1.1
133.08588	58.9
133.10153	2.2
135.08051	1.0
135.11592	1.6
136.07500	1.1
137.05942	1.8
137.13271	2.6
139.14796	2.1
143.14325	1.4
145.04926	2.7
145.10066	1.1
147.10139	2.2
151.09547	1.1
155.14246	1.3
157.15846	1.5
159.02867	2.1
163.07501	1.1
165.16466	1.6
167.06995	2.5
169.15857	1.4
170.59975	1.1
175.09724	2.4
177.11209	19.2
177.12624	1.9
183.17546	1.3
195.12260	7.3
197.18950	2.9
201.18474	6.7
213.03957	1.4
221.13817	11.0
228.87292	1.0
231.04955	1.7
235.15399	4.1
239.14868	31.7
241.21558	5.9
253.16460	4.1
259.22684	2.1
279.17996	4.3
283.17468	1.2
285.24014	1.1
293.19577	1.7
297.19000	10.3
299.73297	1.1
311.20645	1.3
435.33160	61.0
436.33719	1.5
453.34201	10.7
625.66504	1.2
718.35742	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	717.2898
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99629	1.1
55.01871	1.5
55.85736	1.1
59.52748	1.0
70.06578	5.3
71.75804	1.4
79.05486	3.2
83.92738	1.2
84.08145	1.6
86.09694	3.3
91.05476	8.5
94.04175	4.2
95.04960	2.6
103.05447	13.8
104.05801	2.2
105.07019	5.0
107.04936	4.0
115.05446	2.8
119.04909	5.0
119.08572	1.8
121.06485	4.9
122.03641	10.5
123.04391	1.2
128.06190	3.3
129.06979	4.5
131.04918	23.2
132.05278	4.2
133.02861	2.6
133.06480	4.8
134.03690	1.3
137.05965	100.0
138.06274	1.8
144.05708	2.1
145.06453	3.1
147.04384	6.3
147.07988	2.1
149.05959	5.1
151.03909	6.6
151.07555	8.5
153.05522	1.6
156.05682	1.4
157.06462	2.2
159.04338	2.3
159.08084	6.8
159.09174	1.2
160.05258	1.5
161.05978	14.0
161.09476	1.8
161.42986	1.4
162.06514	1.8
163.07539	24.9
164.07880	1.8
165.05539	1.7
165.06970	2.5
167.07042	3.0
172.05193	2.5
173.05856	1.6
174.06924	1.6
175.07535	13.8
177.05415	2.4
177.09132	2.9
178.07893	1.5
179.07016	3.9
181.06511	1.3
187.07524	21.6
188.07784	1.4
189.09108	5.5
191.08551	1.4
192.05745	1.5
194.07208	1.4
199.07515	6.4
201.09035	1.3
202.07851	1.4
203.06937	1.6
203.08661	2.7
203.10358	1.2
204.07655	1.3
205.06522	1.7
207.08150	1.5
208.08923	1.2
210.06616	1.3
211.07524	2.3
215.08623	1.8
217.08519	4.0
218.07301	1.3
219.07997	3.7
219.10089	2.4
221.06023	2.7
222.06689	1.4
225.09076	1.6
231.08026	3.7
232.08675	2.1
233.09554	2.2
234.06693	2.5
235.07596	3.4
235.11494	1.5
236.08369	1.4
237.09105	2.6
238.88876	1.3
239.06934	1.5
239.10641	1.3
247.07512	2.7
248.08264	3.2
249.09174	2.9
251.07034	1.5
251.10809	2.4
253.08441	1.4
257.09528	2.5
259.07556	3.0
260.08365	2.2
261.09015	3.0
262.09802	1.6
263.06949	2.1
263.10803	1.3
264.07718	1.6
265.08533	6.3
266.09131	1.6
267.10001	3.6
271.07355	1.3
273.09100	1.5
275.10675	2.7
276.07794	1.6
277.08521	4.5
278.09204	3.0
279.10156	3.6
283.09714	2.0
285.11209	2.7
288.07898	1.4
289.08472	2.5
289.11896	1.2
290.09375	1.8
291.06815	1.5
291.10211	6.4
293.08090	1.7
293.11588	2.5
295.09641	2.4
296.10309	1.9
297.11090	6.6
299.12775	2.8
303.10043	2.5
305.11594	2.0
306.08688	1.4
307.09702	2.8
308.10376	1.9
309.11230	7.8
311.12811	6.1
320.10239	2.4
321.11212	7.5
323.12747	14.8
325.14227	1.9
333.11151	3.3
335.12689	8.4
339.12283	3.5
340.12729	1.6
341.10049	1.5
341.13834	5.2
347.12659	2.3
349.14359	4.5
359.12933	1.6
369.13165	5.3
457.16119	2.1
471.18155	3.4
473.19531	3.2
483.18268	2.5
497.19318	1.7
577.00989	1.5
651.25671	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	716.5508
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	1.8
57.03416	1.0
57.07068	100.0
59.04994	31.8
59.05296	1.4
69.07067	2.9
71.08624	73.8
79.05469	0.6
81.07067	0.8
82.70618	0.8
83.08633	2.4
84.75237	0.6
85.10172	55.5
87.04451	5.0
89.06021	37.4
89.06594	1.3
90.01932	1.1
92.58806	0.7
95.08614	0.8
97.06548	0.7
97.10184	2.3
97.21612	0.8
97.25840	0.7
98.20749	1.6
99.11724	10.9
101.09655	2.0
107.07068	2.0
111.11724	0.9
113.13284	4.0
117.09115	11.9
121.82345	0.7
130.08681	2.3
131.07060	2.1
133.08591	29.2
145.08698	1.0
155.17946	7.8
158.11632	0.9
175.09717	1.8
177.11198	11.4
177.12566	0.8
184.07391	2.1
213.22128	14.4
213.24121	0.8
221.13921	1.2
254.24847	1.3
271.26297	16.5
283.17703	1.2
371.22711	7.6
429.26987	1.8
469.30588	0.9
652.04108	0.7
716.55237	1.3
717.46161	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	716.4209
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.1
55.01856	5.5
55.05506	22.5
57.03429	8.8
57.46399	1.3
59.05000	2.9
61.02931	2.7
65.03920	2.9
67.05498	93.0
69.03424	7.1
69.07062	22.4
70.06567	4.2
71.04984	4.2
71.75346	1.8
72.08144	1.6
79.05492	21.6
81.03410	6.0
81.07044	27.7
83.04945	2.4
83.08601	13.3
85.02874	3.2
85.06528	3.7
86.09708	2.0
91.05466	15.9
93.07047	18.0
95.04967	9.6
95.08589	12.5
97.02886	10.7
97.06523	3.8
97.10165	9.8
99.04469	1.9
99.30087	1.4
105.07019	13.2
107.04924	6.1
107.08572	15.5
109.02827	2.9
109.06512	2.5
109.10146	73.1
111.08084	2.2
117.06990	5.1
119.04986	1.6
119.08565	15.6
121.06490	2.7
121.10100	4.7
123.08059	3.1
125.09634	10.2
126.70067	1.4
129.06993	4.6
131.08556	10.3
133.06480	2.8
133.10118	7.4
135.08032	4.1
135.11688	2.7
137.09599	4.0
143.08574	4.3
145.10103	4.4
147.08041	5.6
147.11656	3.3
149.13231	1.8
151.11163	2.2
155.10641	2.1
157.10077	3.3
159.11726	2.4
161.09567	4.2
163.11137	1.7
173.11739	19.1
173.13107	2.4
175.11147	3.5
189.11215	4.1
193.93939	1.6
223.13237	16.6
227.12833	6.2
229.14330	78.0
249.14760	3.0
253.14272	2.5
273.18448	16.0
291.19510	100.0
292.19791	3.6
295.62683	1.5
297.03033	1.5
332.26151	1.5
347.22150	3.2
361.09164	1.8
365.23203	44.5
366.23672	1.8
391.02652	1.7
439.26810	2.9
501.31894	2.1
519.33112	95.0
520.33563	5.4
524.22998	1.6
618.75555	1.9
670.46472	2.0
716.32452	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	714.5507
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.8
55.05512	5.2
56.05038	4.4
57.07056	2.3
58.06591	0.7
60.04512	1.7
65.03929	0.6
67.05503	9.5
68.05039	1.1
69.03406	1.1
69.07064	6.5
70.06569	1.9
70.32516	2.1
71.08614	1.7
79.05489	8.6
80.05005	3.1
81.03391	0.8
81.05782	0.9
81.07044	7.4
82.06579	6.1
83.08614	4.4
85.02893	1.7
85.10148	0.7
91.05474	6.8
93.07035	7.4
94.06561	14.7
95.04964	0.9
95.07346	7.1
95.07927	0.6
95.08047	0.6
95.08601	6.4
96.08125	5.6
97.02878	0.7
97.10143	2.1
105.07024	5.0
107.08593	5.0
108.08099	2.3
109.10129	2.4
110.09663	0.7
111.11642	0.6
119.08595	4.4
121.10127	5.1
122.09648	2.0
123.11696	1.1
124.11191	0.5
125.23017	0.4
127.03899	0.6
133.10133	3.3
135.11673	2.1
136.11166	0.8
137.13167	0.9
147.11670	1.3
149.13257	1.5
158.88490	0.5
161.13295	0.6
163.14798	0.6
165.16470	0.6
193.19647	0.6
219.21027	0.8
233.22653	2.8
236.76089	0.5
245.22649	6.1
250.25270	6.3
254.24825	1.0
262.25287	100.0
263.23239	0.8
263.25812	3.3
272.25864	6.5
280.26340	6.6
348.28757	0.7
371.72083	0.6
442.31604	0.6
504.47739	4.7
516.47736	25.8
517.47852	1.7
518.49225	4.8
534.48840	13.1
535.48761	1.1
696.53809	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	714.5506
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	1.7
55.05509	8.8
56.04792	0.5
56.05040	4.2
57.03419	0.5
57.07070	3.2
58.06595	0.5
60.04518	2.3
61.02933	0.4
64.62611	0.4
65.03924	1.0
67.04234	0.5
67.05500	15.4
68.05022	1.9
69.03415	1.4
69.06687	0.6
69.07062	9.3
70.06591	3.1
71.08620	1.9
75.62357	0.4
79.05489	13.1
80.05006	4.1
81.03407	1.4
81.05796	1.9
81.07052	12.7
82.06571	9.4
83.04967	0.7
83.08617	5.5
85.02901	2.5
85.10175	0.7
86.06078	0.5
91.04932	0.7
91.05473	11.1
92.05816	0.5
93.05786	0.6
93.07034	12.3
94.06562	21.5
95.04950	1.6
95.06789	0.8
95.07346	11.1
95.08596	9.8
96.08128	6.8
97.02876	1.2
97.10164	3.2
100.07585	0.4
105.07030	7.3
107.07378	0.4
107.08585	5.3
108.08118	4.7
109.10148	2.3
111.11694	0.5
119.08569	7.4
121.08852	0.6
121.10143	5.1
122.09669	2.7
123.11700	1.2
124.11156	0.5
129.52492	0.4
131.08467	0.4
133.10101	3.5
135.10680	0.6
135.11662	3.4
136.11226	1.1
137.03214	0.4
137.13243	0.6
147.11674	1.0
149.13225	1.0
151.14836	0.5
151.49020	0.4
161.13266	1.1
171.05244	0.4
192.12306	0.4
219.12930	0.4
233.22661	3.7
234.22151	0.9
245.22621	4.3
250.25320	7.5
254.24814	0.9
262.25293	100.0
263.25732	3.8
264.26810	0.6
272.25797	5.2
280.26312	6.9
280.29166	0.6
302.82800	0.4
314.26920	0.6
324.65540	0.4
504.47757	4.1
516.47772	23.0
517.48047	2.5
518.49249	3.9
534.48804	12.7
535.48859	0.8
560.78137	0.5
696.54236	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	714.2861
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03423	2.0
60.52718	0.9
61.02897	1.3
61.17138	0.8
69.03424	4.7
70.06580	3.3
71.04977	1.3
71.30553	2.1
72.08140	1.8
73.02891	1.5
79.85802	0.8
81.03403	2.8
81.07017	0.9
84.08132	1.9
84.19199	0.8
85.02891	8.1
86.09728	1.0
87.04446	1.3
91.05479	2.0
93.05772	1.1
93.07042	1.8
94.06579	5.6
95.04934	1.1
95.07326	1.9
96.08108	3.9
97.02872	3.2
97.06518	1.2
107.07302	2.5
107.08592	1.3
108.04482	1.0
108.08108	8.1
109.02846	1.4
110.06046	0.9
110.09682	6.5
119.43499	0.9
120.04459	1.9
120.05315	1.0
120.08091	6.7
122.06023	7.6
122.09645	4.9
124.07528	1.1
127.03900	2.2
132.08057	1.4
136.07571	12.7
137.06003	1.0
138.05467	1.4
138.09135	10.8
146.05975	1.4
148.07565	7.2
150.09109	6.8
152.07054	2.4
164.07037	2.2
166.07286	1.7
166.08632	26.1
167.06987	1.7
172.03935	1.1
176.10742	0.9
190.04980	1.7
194.08047	2.6
201.10178	1.1
204.06532	1.4
209.10753	1.4
211.08527	0.9
212.09473	1.2
223.08688	1.2
223.12328	1.8
224.09413	1.3
225.10254	5.0
226.10992	1.5
227.11755	2.6
233.10713	1.7
235.08652	3.0
236.09395	2.7
237.10164	13.4
238.10947	2.7
239.08098	1.6
239.11697	6.2
241.09616	1.4
248.09380	2.0
249.10207	11.0
250.11031	5.6
250.13155	0.9
251.08145	4.2
251.11806	11.8
252.08806	1.6
252.12440	2.6
253.09711	9.0
253.12314	1.1
253.13222	1.0
255.11217	3.3
261.10168	8.3
262.10965	2.2
263.08438	1.3
263.11752	9.3
265.09720	18.4
265.12717	1.9
266.10345	4.0
266.73929	1.0
267.11246	12.0
268.11938	1.8
269.09100	1.0
271.06039	6.1
271.10693	2.7
272.06250	8.1
273.06561	5.0
273.12491	1.2
274.06769	2.7
276.08786	1.7
277.09705	5.6
278.07816	1.0
278.10446	6.7
279.07672	4.4
279.11243	23.6
280.11957	3.7
281.09171	4.2
281.12790	4.4
282.09833	1.6
283.10794	9.6
284.11432	1.9
285.12296	2.0
287.13889	1.5
289.09674	15.1
290.10309	2.1
291.11249	8.5
293.09125	7.8
293.12741	5.5
294.09949	4.6
295.10678	4.6
295.13846	1.0
296.11533	4.5
297.09030	1.2
297.12256	3.9
299.10364	3.0
306.09677	1.9
307.10703	5.7
308.11417	3.0
309.12216	8.6
310.12756	1.1
311.10236	8.9
311.13760	4.3
312.10959	4.2
313.11853	2.7
314.12604	2.9
317.09198	3.3
321.12329	1.9
323.10159	2.6
323.13882	4.5
324.10953	3.9
325.11856	7.2
326.12582	6.7
326.15982	1.4
327.13330	9.4
327.17035	1.5
335.10248	22.3
337.11749	3.6
339.09888	2.6
339.13354	63.5
340.10480	4.6
340.13925	2.5
341.11209	5.5
341.14645	1.6
344.17358	1.5
351.09680	1.0
352.10458	1.7
353.11270	13.3
354.12146	6.7
355.12842	21.0
356.13446	1.1
367.12860	49.3
368.13052	1.9
371.15656	1.2
399.15790	1.4
400.16562	1.8
432.19119	1.8
442.17480	1.5
444.19119	1.1
460.18579	6.8
474.20218	1.9
478.19598	1.7
479.20239	1.1
488.18100	37.1
492.21103	1.8
502.19333	1.4
506.11847	1.5
506.19116	21.0
517.18085	1.7
520.20795	35.7
521.20959	1.4
534.18530	2.8
552.23340	1.5
622.24207	2.2
632.22089	2.7
650.23315	16.7
651.22937	1.2
664.24371	3.7
682.25977	100.0
683.26056	3.4
714.28558	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	714.2861
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.2
57.03433	1.1
61.02914	1.6
69.03425	6.0
70.06577	2.7
71.06618	0.8
71.06969	1.3
71.42242	0.7
73.02910	1.4
79.05486	1.3
80.04993	1.2
81.03410	1.8
81.07050	1.5
82.06588	0.7
85.02889	6.0
86.09688	0.5
87.04462	0.8
91.04907	0.5
91.05469	1.6
93.07035	1.9
94.06569	3.6
95.07379	0.6
96.08118	2.9
97.02885	2.5
99.04442	0.9
103.05479	1.2
105.07030	1.0
107.07337	1.1
108.08108	6.7
109.02888	0.9
110.09693	6.0
119.08596	1.1
120.04453	2.5
120.08103	7.5
122.06013	6.8
122.09682	4.2
124.07565	1.0
127.03917	0.9
136.07561	11.9
137.05971	1.4
138.05588	0.8
138.09119	10.3
139.11096	1.1
146.06036	1.5
148.07550	5.8
150.09151	8.5
152.07097	2.1
152.10733	0.6
164.07083	2.4
166.08629	22.0
167.07167	1.2
168.10201	0.8
172.03934	0.8
174.05524	0.6
180.10185	0.8
184.09930	0.7
190.05034	0.8
194.08147	2.7
197.10767	1.2
198.48781	0.7
209.10809	1.6
211.08638	0.7
211.12277	1.1
212.09329	1.2
213.10263	1.0
221.10715	1.0
223.08687	1.7
223.12294	2.4
224.09398	0.8
225.10170	4.8
226.10864	1.7
227.11852	1.8
233.10800	2.0
235.08647	3.2
235.12303	1.3
236.09422	1.8
237.10185	11.8
238.10936	2.4
239.08142	1.5
239.11763	4.9
241.09787	1.8
241.13274	1.1
247.08775	0.6
248.09479	2.6
249.10229	9.0
250.10916	4.6
251.08076	3.5
251.11745	9.7
252.08885	1.9
252.12526	2.5
253.09692	8.1
255.11322	4.2
261.10208	6.6
262.10962	3.2
263.08630	0.9
263.11716	8.9
264.12555	0.8
265.09726	18.1
266.10583	2.9
267.11295	10.2
267.14255	0.8
268.12128	1.0
269.09415	1.5
269.12549	1.6
271.10837	1.4
272.13177	0.7
273.12378	1.1
276.08743	0.7
277.09729	4.2
278.06528	1.4
278.10544	5.9
279.07730	4.3
279.11325	19.8
280.11935	4.2
281.09268	3.3
281.12802	2.3
282.10040	1.5
283.10736	7.5
285.12357	1.6
287.13971	1.2
289.09695	14.0
289.12750	0.8
290.10278	1.7
291.11209	5.6
292.08792	0.6
292.11942	1.2
293.09274	5.8
293.12894	6.1
294.09937	4.6
294.13153	1.0
295.10797	6.5
295.14087	1.2
296.11545	3.9
297.09106	1.1
297.12363	3.6
299.10373	1.7
303.87506	0.6
305.09457	1.2
306.09900	1.8
307.10770	5.9
308.11548	2.5
309.12222	5.5
310.13043	0.8
311.10275	7.9
311.13879	3.9
312.10938	3.6
313.11847	3.5
314.12515	1.4
316.14481	0.7
317.09210	2.5
319.10843	0.8
321.12155	1.0
323.10318	2.3
323.13986	3.9
324.11005	3.9
325.11801	6.6
326.12619	3.4
327.13333	8.4
335.10257	22.9
336.10901	1.1
337.11807	3.4
339.09802	2.1
339.13361	57.8
340.10553	5.6
340.13983	2.5
341.11359	5.9
341.15097	1.6
349.11859	1.2
352.10693	2.2
353.11313	11.5
354.12097	6.2
354.16068	0.9
355.12863	21.8
355.17221	1.3
356.13733	0.9
356.18005	0.8
366.12073	0.9
367.12869	49.3
368.13284	1.4
370.15430	0.7
371.12445	0.8
372.12863	0.7
386.15128	1.0
390.19397	2.9
399.15796	1.1
400.16544	1.5
402.18512	0.9
418.17587	1.2
430.17542	1.1
432.19159	1.9
442.17264	1.5
444.19214	1.0
460.18643	5.7
470.17499	1.7
472.18549	1.2
474.20273	1.1
478.19897	3.0
479.20599	1.1
488.18127	38.5
489.18539	2.1
490.19412	0.9
492.21423	1.4
502.19699	2.1
506.19165	22.4
507.20053	1.0
520.20764	38.0
521.21240	1.4
534.18488	2.6
586.21075	0.7
622.23718	2.5
632.22345	1.9
650.23407	15.2
650.33539	1.2
651.24176	1.0
654.26801	1.2
664.24957	2.4
682.25995	100.0
683.26001	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	713.3889
Annotation	Unknow
Peak:m/z	Relative Intensity
54.58020	0.5
55.01857	1.6
55.05492	0.7
64.93480	0.4
67.01847	1.8
67.05481	1.5
67.37219	0.5
68.99779	0.7
69.03425	1.7
71.68206	0.5
71.73651	0.4
75.33340	0.4
78.11549	0.5
79.05487	2.9
81.03400	2.2
81.07052	1.2
86.16917	0.5
87.04415	0.8
91.05459	1.3
93.07045	0.7
95.04953	1.7
95.08602	0.8
97.02891	0.7
99.04445	1.3
103.05441	1.5
105.07018	20.8
105.07728	1.0
107.04942	64.3
109.06512	0.8
112.98669	0.5
113.05994	2.2
115.05436	0.6
119.08562	0.8
121.02859	0.7
121.06485	1.1
121.10130	0.7
125.02335	9.6
127.03874	1.8
129.06990	0.6
131.04912	1.2
133.06474	100.0
134.06810	1.9
137.05920	1.0
141.05449	15.0
145.06438	0.6
147.08041	8.2
149.06049	0.7
157.06473	2.4
163.10710	0.5
166.06226	0.8
167.07024	45.4
171.08023	1.5
173.05870	0.7
179.07089	1.4
185.09682	0.9
195.08070	1.4
199.07559	0.6
207.43695	0.5
213.09091	0.9
214.09857	0.5
229.12326	0.8
273.11203	24.0
273.14203	1.2
291.12238	95.4
292.12637	2.0
295.52209	0.5
315.12131	0.6
427.85880	0.5
430.32632	0.6
476.97089	0.6
544.52466	0.5
607.19031	0.5
627.44250	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	712.477
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46421	0.3
54.89025	0.3
55.05238	0.4
55.05504	6.7
56.05028	3.8
57.07061	1.9
58.02940	1.1
60.04516	0.8
61.87355	0.4
63.59340	0.3
67.05495	11.1
68.05003	1.2
69.07059	7.2
69.97856	0.3
71.06863	0.7
71.08607	1.0
72.04480	0.5
77.51707	0.3
79.05482	7.1
80.05005	1.1
81.05756	0.4
81.07043	10.5
82.06571	4.8
83.04970	0.7
83.07352	0.4
83.08609	4.1
84.08111	0.7
85.10151	0.5
86.06044	1.3
89.06025	0.4
91.05462	4.6
93.07033	5.4
94.06554	1.6
95.04938	0.8
95.07984	0.6
95.08591	7.6
96.08110	1.0
97.06510	1.1
97.10146	2.2
98.06041	1.5
100.07594	1.6
105.06998	1.8
107.08578	3.0
108.08088	0.4
109.10140	3.0
112.07632	0.9
119.08559	6.6
121.10123	2.9
122.09682	0.5
123.11659	0.6
125.77925	0.3
133.08597	0.4
133.10107	1.7
135.07999	0.4
135.11655	0.9
137.13283	0.4
140.10539	0.3
145.02812	0.6
147.11671	0.5
154.12273	0.6
159.10352	0.4
164.57498	0.3
177.05434	0.8
191.17979	0.7
199.16943	0.5
234.22093	0.3
245.22676	1.1
250.25258	4.7
251.76439	0.4
260.23679	0.6
262.25351	2.9
263.23682	1.0
272.63754	0.4
280.26318	100.0
281.26645	1.9
293.27411	0.4
298.27356	12.5
510.90015	0.4
520.82037	0.4
565.98102	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	712.5348
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03915	3.2
55.05488	3.8
56.05025	2.5
56.78147	2.4
57.07086	3.6
67.05492	10.8
67.77406	2.4
68.67157	2.4
69.07055	4.1
71.11848	4.9
79.05482	12.3
81.07050	10.3
82.06572	6.2
83.08622	3.8
91.05485	18.3
93.07036	6.1
94.06567	18.5
95.07344	5.0
95.08570	8.5
96.08119	3.8
105.07018	10.9
106.06552	3.9
107.08556	5.3
108.08107	5.8
109.10133	2.1
115.05514	2.1
117.06968	5.8
119.08553	9.3
121.10135	4.1
122.09651	8.1
131.08537	7.8
132.08041	3.8
133.08888	2.5
133.10103	6.9
134.09625	7.6
140.53998	2.9
147.10466	3.5
148.11166	3.8
199.27672	2.3
213.54396	2.1
225.48959	2.5
231.21062	9.5
243.21085	8.6
248.23686	7.9
260.23718	100.0
260.26486	5.3
272.25916	4.9
278.24805	7.5
320.52872	2.5
354.68579	2.4
460.46024	2.3
502.45825	4.7
506.74323	2.5
514.46240	13.3
516.47369	3.2
532.47162	24.8
560.42322	2.6
670.18683	2.5
694.51892	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	712.4471
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50161	0.8
53.03942	1.6
55.01861	1.7
55.05510	28.8
57.03434	6.5
57.07073	19.9
58.50014	1.0
59.30853	1.3
61.02617	1.5
61.02923	30.2
63.30629	0.7
64.65179	0.9
67.05143	1.7
67.05499	38.7
69.03423	4.4
69.07063	55.9
69.49319	2.2
69.49723	7.2
70.13276	0.9
71.04984	3.4
71.08626	12.5
73.02917	9.7
75.04452	2.6
75.33218	1.0
79.05486	15.9
81.03393	1.5
81.07049	54.9
83.04953	2.1
83.08615	41.9
85.02900	35.0
85.06525	3.8
85.10165	7.9
91.03947	29.2
91.05472	2.2
93.07037	21.5
93.07581	1.0
93.93939	0.8
95.04977	0.9
95.08598	50.1
97.02249	1.2
97.02882	18.9
97.06525	9.3
97.10160	33.0
99.04472	1.7
99.08086	2.7
99.11658	1.1
105.07037	1.0
107.08591	18.0
109.10152	29.8
111.08080	5.6
111.11723	12.8
113.09648	1.8
115.03905	1.4
119.08552	1.3
120.54808	1.0
121.10135	31.0
121.10983	1.7
123.11691	12.0
125.09602	3.2
125.13284	1.9
127.03918	10.3
129.09131	1.2
135.11688	23.3
137.13222	4.4
139.11156	2.1
139.14749	1.4
139.78868	0.9
140.97159	1.0
145.04942	12.8
149.13239	13.9
151.14784	2.7
153.12782	2.7
157.15907	1.3
163.06018	22.1
163.14775	7.8
165.16400	3.6
167.14148	1.4
177.16399	4.3
179.17960	3.9
181.15822	1.3
191.17976	2.9
193.29713	1.0
205.19508	2.9
213.18675	0.9
261.22903	1.3
261.25754	37.9
279.26810	100.0
280.27161	3.5
297.27805	14.6
353.30484	81.5
354.30624	3.0
371.31549	28.2
371.36087	1.3
372.31879	1.1
515.35669	1.4
586.90759	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	0.1
55.05487	0.1
57.03429	0.7
57.38316	0.0
58.49631	0.1
59.04984	0.1
60.96280	0.0
61.02897	0.1
61.83232	0.1
62.68475	0.1
67.01855	0.3
67.05500	0.1
68.99441	0.1
68.99754	0.3
69.03418	0.9
69.53217	0.1
70.06574	0.2
71.04984	3.3
71.73719	0.1
73.02908	0.1
74.06064	0.1
75.04456	0.2
81.03393	0.2
83.04961	0.3
85.02894	3.8
87.04447	0.5
89.06004	0.1
91.05463	0.3
95.04952	0.1
97.02881	0.7
99.04443	0.1
105.06982	0.1
107.04923	0.1
109.02861	0.1
111.04408	0.2
115.03889	0.5
119.04929	1.4
121.02857	0.5
127.03890	0.1
129.01799	0.1
129.05460	0.9
129.10130	0.1
131.04913	0.1
133.04976	0.4
133.08566	0.1
133.16278	0.0
137.05919	0.1
138.09027	0.1
139.03850	0.1
144.61516	0.1
145.02820	0.5
147.04324	0.1
147.06509	0.3
153.01810	3.5
163.03920	0.3
169.06393	0.1
171.02863	0.7
178.96417	0.1
187.03773	0.0
203.07036	0.2
225.05443	0.3
229.04932	0.2
243.06473	0.3
243.08743	0.1
247.06052	0.1
261.09619	0.1
267.11096	0.1
270.05139	0.1
271.05969	100.0
272.06311	2.4
279.06470	0.1
283.05942	0.2
297.07462	0.1
313.07172	0.3
313.11588	0.1
321.07501	0.1
337.06778	0.1
373.14038	0.1
379.08142	0.1
381.09625	0.2
397.09018	0.1
403.09930	0.1
415.09933	0.1
417.11432	0.1
433.11230	3.5
434.11676	0.1
565.15424	2.9
566.15881	0.1
661.07324	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	711.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
54.60614	0.1
55.05502	0.1
57.03437	0.6
59.05004	0.1
62.21581	0.1
67.01846	0.3
67.05506	0.1
68.99799	0.2
69.03426	0.8
69.59527	0.8
70.06560	0.3
71.04988	3.3
72.08152	0.1
73.02896	0.1
75.04469	0.2
81.03393	0.1
83.04955	0.3
85.02897	4.1
87.04470	0.6
89.06004	0.1
91.05478	0.3
97.02869	0.5
98.21490	0.2
99.04427	0.2
103.05458	0.2
111.04433	0.2
115.03924	0.5
119.04932	1.0
121.02850	0.6
127.03845	0.1
129.05453	1.0
131.04898	0.2
133.04968	0.4
133.08606	0.1
136.07523	0.1
137.05960	0.3
139.20226	0.1
145.02803	0.5
145.73436	0.1
147.06477	0.2
153.01811	2.9
153.05447	0.1
161.05951	0.1
163.03885	0.4
167.07011	0.2
171.02893	0.8
202.26958	0.1
203.06972	0.1
208.27225	0.1
219.10117	0.1
225.05467	0.2
229.04890	0.2
243.06479	0.2
247.05873	0.2
249.82234	0.1
261.09720	0.1
271.05988	100.0
272.06339	2.1
279.06357	0.1
283.06137	0.1
299.05905	0.1
309.07593	0.2
313.07077	0.2
321.07642	0.2
329.06485	0.2
337.07077	0.2
363.08655	0.2
373.13849	0.3
381.09656	0.1
403.10077	0.1
408.20218	0.1
417.11414	0.2
433.11304	3.3
495.12625	0.1
565.07098	0.2
565.15466	2.5
566.16071	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	3.1
57.03424	3.4
61.02904	1.3
65.03917	0.9
69.03403	2.0
69.79958	5.7
70.06577	3.5
71.04985	14.4
72.08133	1.2
73.02898	1.9
75.04453	0.9
77.97628	0.9
81.03399	0.9
83.04970	1.1
84.04479	1.0
84.08123	2.7
85.02896	18.4
86.09710	1.5
87.04453	0.9
91.05466	1.5
97.02884	1.8
105.03387	1.4
114.10192	0.9
115.08608	0.9
119.04924	3.5
121.02852	13.5
129.05460	4.4
131.04919	1.2
137.05949	0.9
145.02800	3.2
147.04344	1.6
163.03879	4.6
165.01808	4.8
167.03394	2.7
177.01782	0.9
179.03349	1.3
183.02892	4.7
187.03906	1.7
191.03397	1.3
195.02869	2.5
203.03404	1.5
207.02866	1.8
221.04491	2.6
229.04953	1.7
249.03880	1.5
263.07101	1.0
267.06470	6.4
270.05219	2.3
271.06049	9.0
278.05832	0.9
279.06580	6.0
281.08072	8.0
283.05991	83.0
284.06708	9.8
285.07315	1.5
291.06366	2.1
293.08136	4.8
295.06018	17.1
297.07520	13.1
303.06531	1.1
305.08102	3.7
307.05923	5.3
308.06653	2.0
309.04218	1.2
309.07529	29.9
311.05597	1.5
311.09125	4.7
313.07034	61.6
314.07336	1.9
320.06525	1.0
321.07544	44.4
322.08078	1.8
323.05487	1.6
325.07050	10.6
333.07443	2.4
335.09103	1.8
336.06351	0.9
337.07034	48.8
338.07367	2.2
339.08508	5.6
345.07327	1.3
349.07028	40.5
350.07440	1.0
351.08682	1.5
359.09003	1.5
361.06961	1.3
363.08603	4.2
367.08105	100.0
368.08475	2.8
375.08444	1.7
379.08255	2.5
385.09140	58.2
386.09451	2.6
387.08505	1.2
391.08105	3.3
393.09528	2.7
403.10229	20.0
405.09665	2.3
409.09174	2.6
427.10065	1.4
441.11813	5.2
447.10776	1.9
459.11954	1.7
465.11810	1.1
475.12149	4.2
477.11703	1.1
483.12692	1.4
495.12579	2.5
499.12579	1.7
513.14032	2.1
525.13519	1.1
529.13153	7.0
543.14264	1.0
547.14435	9.1
549.15942	1.2
565.15118	2.8
571.14075	2.0
589.15314	2.3
627.16541	1.0
645.18054	1.4
657.18329	1.9
675.18689	2.2
693.20355	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	710.3725
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	20.8
55.01850	9.9
55.05493	14.7
57.03416	10.4
61.02905	8.4
63.37805	3.0
67.05505	29.5
68.99776	7.4
69.03419	42.9
69.07047	16.7
70.06569	12.3
71.04983	12.1
71.73515	3.6
71.76180	3.4
72.08141	4.6
73.02909	9.8
79.05489	19.4
81.03406	63.4
81.07041	50.6
83.04972	5.9
83.08601	10.9
85.02893	100.0
85.06546	3.9
86.09692	14.4
87.00384	3.9
87.00832	34.1
87.04453	4.9
89.06020	8.8
89.18441	4.0
91.03954	7.2
91.04952	3.7
91.05468	25.9
93.07041	33.9
95.04945	7.0
95.08591	43.0
97.02887	49.6
97.06527	6.6
99.04461	21.9
101.05994	7.5
104.10738	18.4
105.01864	46.0
105.07029	41.8
107.08565	40.0
109.02868	63.4
109.06467	4.4
109.10165	32.4
111.04446	4.8
111.08107	4.5
111.95937	3.7
113.05952	3.5
117.07001	10.5
119.08576	38.0
121.06480	4.1
121.10133	23.1
123.04378	3.7
123.11691	8.9
124.99963	5.7
125.09608	3.8
125.55781	3.4
127.03019	7.4
127.03896	83.0
129.01808	6.4
129.06966	10.5
131.08566	33.2
131.41550	3.7
133.08553	3.9
133.10112	30.2
135.08034	8.6
135.11668	11.2
137.05977	4.0
137.09564	4.6
142.07741	4.0
143.08534	18.4
145.04941	31.2
145.10112	51.5
147.02805	3.8
147.07996	4.2
147.11656	31.5
149.09541	7.4
149.13203	10.5
151.04065	4.4
151.11134	7.1
155.08531	5.8
157.10146	18.4
159.02852	22.3
159.11687	37.5
161.09612	5.1
161.13229	13.4
163.11215	9.2
165.09132	11.2
165.12630	4.7
167.39841	4.4
169.10147	6.3
171.11641	21.0
173.09479	6.1
173.13223	30.9
175.11121	10.0
175.14793	8.2
177.12721	6.8
179.14296	10.2
181.11980	5.2
183.11578	6.8
184.07349	16.9
185.13139	16.9
187.14758	26.2
189.16319	4.1
191.14301	8.4
193.12213	12.0
195.13727	6.7
197.13150	5.9
199.14749	11.0
201.12680	5.6
201.16280	4.7
203.14214	5.1
205.15997	4.1
209.11557	5.1
209.13480	6.5
209.15271	17.9
211.14841	4.3
213.03938	11.7
213.16389	10.3
215.14261	5.9
217.12317	8.7
217.15837	6.8
225.16293	5.8
227.17973	4.4
229.15894	4.9
231.05009	32.0
231.13754	10.7
235.13255	6.1
249.14799	5.8
259.16965	5.1
267.15851	7.9
269.17520	4.9
270.93018	3.9
271.17188	4.5
277.17786	6.9
283.15292	4.0
285.16895	8.4
311.23721	5.1
345.25522	5.2
353.24661	15.9
363.26767	26.1
373.25327	4.4
381.27872	99.5
383.29370	7.6
391.26248	29.1
399.29037	46.8
409.27286	92.7
427.28415	55.6
431.27936	5.0
445.29556	36.4
449.28979	12.6
463.27014	5.8
477.28470	4.0
495.29312	15.9
496.52869	4.5
513.29462	5.8
657.32324	10.5
710.34802	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	709.3211
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	1.0
55.05487	1.3
56.68597	0.5
65.03918	0.6
67.05507	4.4
68.99758	0.7
69.07040	1.0
71.72983	0.8
74.40472	0.5
79.05483	4.2
81.03392	1.7
81.07018	2.8
83.08593	1.0
84.85197	0.5
85.02866	0.8
91.05463	3.6
93.07029	3.2
95.04921	1.4
95.08610	2.6
103.03898	0.5
105.06999	1.7
107.08586	0.9
109.02824	2.2
109.10131	1.2
119.08590	1.2
121.02818	1.9
121.10082	1.1
131.08517	0.8
135.04381	3.0
137.02347	5.2
141.01755	1.5
145.10083	1.0
147.04366	0.7
149.02293	2.0
153.01755	0.7
161.02368	2.9
163.03908	2.9
165.01811	7.3
167.03392	5.3
177.01775	1.8
177.05457	0.8
179.03360	1.4
181.04951	1.2
183.02875	4.6
187.03870	1.5
189.01900	0.7
191.03322	1.9
195.02861	2.4
203.03394	0.7
205.04948	1.8
215.03326	0.9
233.04396	1.4
240.08653	0.6
243.02953	0.9
245.04404	2.0
255.06548	1.0
258.05161	0.7
261.03854	0.7
271.05908	0.8
272.06577	0.8
283.05978	10.1
286.04767	4.7
287.05499	5.5
289.03421	1.3
295.05981	2.5
297.07553	8.5
299.05475	49.3
300.06235	13.2
301.06906	0.8
311.05469	19.2
311.09113	5.0
312.06158	1.1
313.03491	1.1
313.07037	2.6
321.07587	4.8
323.05554	3.9
324.06223	3.7
325.07010	24.5
326.07352	1.2
327.04965	1.9
329.06528	100.0
330.06909	4.5
335.05588	1.5
337.06882	1.1
339.08612	19.3
340.08899	0.8
341.06546	1.2
349.07065	7.4
351.04813	1.8
353.06534	36.8
354.06970	1.8
365.06491	2.0
367.07993	3.3
377.06488	11.4
379.08112	2.3
383.07687	2.0
395.07593	77.7
396.07770	3.7
408.62329	0.6
413.08664	7.8
431.09772	5.7
609.59357	0.6
655.29315	0.7
661.61456	0.6
673.30084	7.6
691.30927	7.0
692.30914	1.1
709.29547	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.3072
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04984	3.4
67.05491	2.5
69.03430	1.4
70.06579	7.9
72.08148	4.4
74.57069	1.2
79.05478	1.7
81.03419	1.5
81.07052	2.0
84.08141	2.7
85.02900	2.3
86.09708	2.0
91.05463	3.7
93.07027	2.1
94.06552	3.3
96.08128	3.5
98.21487	2.7
105.07009	4.0
105.25068	1.7
107.08566	1.4
108.04444	2.6
108.08087	4.9
109.08886	1.6
110.09656	9.4
120.04482	3.4
120.08085	6.1
122.06013	3.0
123.99698	1.4
124.07562	2.8
128.61984	1.3
131.04964	1.9
136.07579	4.6
137.05946	5.8
138.09129	10.8
146.06004	2.6
148.07524	3.2
150.05585	1.5
152.07039	1.8
162.05487	1.9
166.08641	10.3
167.07016	5.7
172.03873	1.6
190.05130	1.6
193.08487	1.4
193.43105	1.3
195.07988	1.4
196.09583	1.3
204.06517	6.0
206.13130	1.6
207.06541	3.2
208.91911	1.5
209.10768	1.4
209.35088	1.4
211.08656	3.3
213.10258	2.0
215.11432	1.4
221.10818	1.5
222.09088	2.0
225.10231	5.4
227.08208	2.3
227.11688	2.0
229.64543	1.7
237.10191	3.8
239.11792	8.0
241.09717	3.4
243.11084	1.4
248.09302	2.7
249.10161	5.4
250.11023	1.6
251.08260	3.2
251.11789	3.8
253.09760	8.5
255.11310	3.0
261.10165	1.7
263.11786	2.0
265.09671	6.4
266.10541	3.1
267.11264	9.6
271.10745	2.9
273.12396	2.5
277.09683	3.0
278.10455	4.4
279.07608	4.0
279.11316	9.4
281.09180	4.1
281.12793	1.7
283.10861	8.2
284.11600	2.4
285.12344	5.5
287.10132	1.5
287.13791	2.1
289.09732	4.9
291.11218	2.9
293.12955	2.8
294.09906	4.7
295.10938	7.6
296.11377	2.4
297.12402	1.9
299.10190	3.9
299.13892	2.7
301.11780	2.1
303.13373	3.7
308.11374	1.5
309.12122	2.7
311.10403	6.5
311.13403	2.8
312.11023	2.6
313.11703	3.0
314.12549	2.4
323.10266	3.4
323.13776	2.0
324.11008	2.0
325.07120	1.4
325.11792	7.1
326.12650	4.8
327.13388	25.7
335.10242	8.1
339.13382	49.3
340.10376	2.7
349.07169	1.7
352.10498	2.2
354.12067	4.8
355.12802	22.7
357.14468	1.8
367.12857	30.3
368.13141	2.0
373.13873	4.9
386.14941	2.3
387.10614	2.7
387.15488	45.0
388.16122	2.9
391.07870	1.5
415.14993	1.6
432.15231	2.0
456.15472	1.6
460.18091	1.8
462.16479	3.0
474.16473	4.7
476.30093	1.9
479.20398	4.0
488.17966	6.9
492.21091	5.6
493.11270	2.6
511.12259	1.6
520.20789	100.0
521.21130	6.5
538.21497	3.1
552.15186	2.6
552.23376	46.0
553.23730	3.2
577.34607	1.7
627.24493	16.8
673.25226	2.1
709.25641	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	708.3789
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.8
55.01864	1.4
55.05504	4.3
57.03423	2.0
57.07055	0.7
61.02916	3.3
67.05498	9.7
69.03410	2.0
69.07066	6.4
69.95793	3.7
69.96209	1.4
70.06571	1.4
71.04980	1.3
73.02895	0.8
79.05472	7.2
81.03395	2.0
81.06608	0.8
81.07052	11.7
83.04978	4.4
83.08609	2.7
85.02911	4.1
85.06484	0.8
86.09698	0.7
87.04464	0.8
90.99518	0.7
91.03936	2.6
91.05470	8.2
93.07033	11.2
95.04975	3.7
95.08595	7.9
96.63560	0.7
97.02863	2.2
97.06510	2.3
97.10153	1.2
98.21371	0.8
105.07006	11.5
107.04946	3.1
107.08590	7.0
109.06518	4.5
109.10125	5.0
111.04414	1.2
111.08082	1.6
117.07005	2.9
119.08577	6.7
121.06497	4.6
121.10128	5.6
123.08041	2.7
123.11686	1.2
127.03886	1.4
129.06998	0.8
131.08546	9.1
133.06458	1.1
133.10120	8.0
135.08040	2.2
135.11679	3.9
137.09595	1.4
143.08556	2.0
145.04895	1.0
145.06497	1.2
145.10114	6.0
147.08026	2.0
147.11687	7.7
149.09607	3.1
149.13245	1.8
151.11128	2.2
155.08571	0.9
157.10117	3.0
159.11682	4.3
161.09616	1.2
161.13266	1.8
163.06087	1.1
163.11115	3.1
165.09123	1.0
169.10049	0.7
171.11792	1.5
173.09627	1.9
173.13263	2.9
175.11160	1.3
177.12723	2.0
183.11694	1.1
187.11156	1.1
191.14288	2.0
193.12199	1.0
197.13220	1.0
201.12729	1.9
207.13792	2.1
215.17978	1.2
219.13802	1.5
227.12781	0.8
228.80989	0.7
229.19473	1.0
239.17961	0.8
245.87270	0.7
247.20537	2.0
257.18945	6.1
267.15845	1.0
275.20044	38.2
285.16742	1.2
293.21042	2.9
349.23697	100.0
350.24097	1.2
367.24762	31.1
381.13885	0.9
461.28589	0.9
473.58862	0.6
622.38867	1.2
664.39105	2.7
708.39001	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	707.4911
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	1.0
59.01177	0.5
61.25066	0.7
65.03918	0.6
67.05509	1.7
68.62958	0.5
69.07048	0.6
70.87476	0.6
70.87814	1.7
71.04987	0.6
77.40033	0.7
79.05488	1.4
81.03428	1.2
81.07056	3.4
87.04485	1.0
91.05496	2.1
93.07069	2.5
95.08616	1.6
105.07045	1.3
119.08580	0.9
121.10130	0.6
133.10080	1.1
155.75456	0.7
184.07422	0.9
193.12340	0.6
265.95273	0.7
281.88306	0.6
374.79697	0.6
707.49170	100.0
708.49219	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	707.3071
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93657	0.6
51.03692	0.7
51.81283	0.7
53.03947	1.1
55.05507	1.7
55.34671	0.7
57.06802	0.8
57.07074	14.8
58.07394	0.8
67.05492	4.7
69.07061	1.6
70.53629	2.1
71.04977	0.8
71.08646	0.6
79.05504	3.5
80.07149	0.7
81.03411	1.8
81.07064	4.1
83.04973	1.0
85.02917	0.9
87.04463	100.0
88.04802	7.9
89.06034	3.2
91.05470	4.1
93.07059	4.0
95.04957	1.9
95.08595	2.3
97.06519	0.9
99.59301	0.7
105.07021	2.9
105.84577	0.7
107.08592	2.7
108.08842	0.6
108.11613	0.6
109.10160	1.5
115.66747	0.6
117.06992	0.9
119.08573	2.8
121.06519	4.5
121.10096	0.9
125.09681	0.7
129.07018	0.9
131.07053	3.6
131.08588	2.2
133.08591	2.1
133.10121	1.9
135.08081	1.7
147.08058	3.0
147.11667	1.8
148.30899	0.7
149.09625	1.3
150.06744	1.7
157.10121	0.7
159.11717	1.1
165.09087	2.2
175.09741	1.2
175.11230	1.0
184.07434	0.8
211.13412	1.1
219.12259	2.8
233.19128	2.3
235.13228	0.8
242.34355	0.7
247.12456	0.7
269.86429	0.8
277.21655	4.7
278.22015	2.6
278.24976	0.8
278.85693	0.7
321.24088	0.9
322.24600	0.9
364.63782	0.8
387.16135	0.8
388.16733	0.8
389.17792	0.9
400.16693	0.7
401.17752	2.4
402.18265	0.8
403.19193	2.8
404.20160	1.7
415.14630	3.7
415.20099	1.8
416.15726	1.4
416.20306	2.1
417.21143	8.2
418.21674	1.9
419.22299	4.9
429.16373	4.7
430.17627	7.4
431.18591	5.0
431.22748	3.7
432.23584	3.7
433.24042	1.7
443.18137	4.5
444.19186	8.0
445.20114	15.2
446.20966	3.0
457.20264	2.4
458.21164	4.8
459.21790	24.9
460.22586	14.6
461.23416	2.9
471.22626	0.9
473.23419	2.3
476.21878	0.9
477.23065	1.5
491.24448	1.3
504.24530	0.8
505.25964	1.6
517.22113	3.8
518.22797	1.2
519.24268	3.0
531.23993	9.1
532.24603	1.4
545.25153	1.4
546.26245	6.4
547.27167	13.3
547.35181	0.7
559.23370	1.1
563.26526	1.5
577.24329	8.8
591.26038	14.5
592.26367	0.9
605.27527	7.6
606.28333	96.4
607.28632	5.9
706.47333	2.0
707.30701	65.7
707.47076	5.1
708.30933	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	707.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97302	0.2
62.58491	0.2
69.47160	1.7
77.00868	0.2
78.95610	0.2
81.03413	0.3
82.99876	0.9
90.68271	0.2
94.93001	0.9
94.99865	0.6
97.02858	0.4
99.83411	0.2
101.00858	2.7
109.01363	0.2
109.02858	0.4
112.89587	1.7
113.00809	0.4
115.02386	0.2
119.01904	9.0
120.02006	0.3
122.01387	0.3
127.02387	0.6
129.00270	0.2
131.01894	3.0
137.01871	0.6
137.02921	1.5
137.51880	0.2
139.02377	0.4
143.01877	9.9
144.01982	0.4
145.03447	5.5
147.01360	0.7
147.05048	0.3
149.01906	0.3
149.02977	0.4
152.02419	0.4
153.03923	0.2
154.03481	0.2
155.01865	6.5
156.01923	0.2
157.03432	2.7
158.02376	0.3
161.02936	15.1
162.03085	0.6
163.04497	0.9
163.53215	0.2
164.02434	0.3
167.01871	4.5
167.03206	0.3
169.03461	1.9
171.01363	0.3
171.04991	1.8
173.02942	14.2
174.03128	0.6
175.04523	1.1
178.03336	0.2
179.01852	1.9
181.03409	0.4
182.03322	0.2
184.04507	0.9
185.02933	30.7
186.03055	1.2
187.04526	3.3
189.06021	0.3
191.04033	0.9
191.98285	0.2
194.03433	0.2
196.04521	0.7
197.02931	11.0
198.02979	0.4
199.04521	0.7
202.91133	0.4
203.03947	9.9
204.04045	0.4
208.04533	0.7
209.02942	0.9
209.04726	0.2
212.04475	0.3
215.03976	9.0
216.04155	0.3
220.04477	0.3
221.03015	0.3
221.05022	1.0
224.04559	0.4
227.03973	8.1
228.04291	0.2
233.05034	0.5
238.05672	0.3
239.03925	0.8
245.05037	100.0
246.05238	4.8
257.05042	5.0
263.06100	13.1
264.06274	0.6
269.05185	0.4
275.06085	10.4
276.06244	0.3
284.06567	0.7
284.56659	0.2
286.07681	1.0
287.06021	0.4
293.07104	3.3
298.07721	0.2
305.07123	8.5
306.07379	0.4
316.08405	0.3
317.07074	0.7
335.08170	3.1
347.08340	1.1
364.99426	0.7
365.09256	33.0
365.59271	0.3
366.09515	1.7
383.10333	2.2
406.11856	0.7
407.10352	0.8
425.11365	25.7
426.11642	1.4
437.11325	1.6
455.12399	1.2
485.13663	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	706.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	1.1
65.03924	0.4
67.05497	0.4
68.99786	1.7
70.06568	1.2
71.73571	0.3
71.73933	0.3
72.08124	0.5
78.19023	0.3
81.03394	0.3
83.04950	0.3
84.08131	0.9
85.02889	0.8
91.05459	1.0
93.03398	0.5
94.74637	0.3
95.04952	0.6
97.02876	0.9
109.02848	0.6
111.04453	2.2
116.07056	0.8
118.06539	0.7
119.04932	0.5
123.04421	10.6
125.02333	0.5
127.03978	0.4
130.06509	1.3
131.04889	0.4
135.04408	8.1
137.05986	0.3
139.03888	100.0
139.87643	0.4
140.04214	2.1
144.08032	1.2
145.06491	0.5
147.04414	2.8
151.03891	5.0
153.06940	1.2
156.08113	0.4
159.04410	0.7
161.05957	0.8
163.02483	0.5
163.03894	10.0
165.05463	1.0
167.04886	0.5
167.42198	0.3
172.07561	0.7
173.05977	0.8
175.03880	0.6
177.05409	0.4
177.94051	0.3
179.03378	4.2
179.07028	0.4
181.06497	1.3
183.04790	0.3
185.05968	1.1
187.03876	1.0
189.05498	1.1
190.08585	0.8
197.05956	0.7
199.07500	0.7
201.05460	0.6
203.03340	0.6
209.06032	0.7
213.05437	2.0
213.07332	0.3
215.03297	0.5
215.06924	0.4
217.04953	1.1
227.06955	1.0
229.05000	1.7
231.06566	0.5
237.05467	1.0
241.04868	1.5
245.04442	2.1
255.06483	4.3
257.04495	0.8
259.06046	0.8
265.05032	0.5
269.04523	0.5
271.06003	0.9
273.07489	0.9
283.06003	13.8
284.06390	0.6
287.05429	2.1
289.07123	0.8
291.08624	10.3
292.09000	0.4
299.05490	2.5
301.07053	31.4
302.07452	1.0
303.08557	2.3
311.05548	1.1
348.10550	0.6
421.09116	2.8
433.08978	0.4
439.10300	5.8
440.10593	0.4
591.14771	2.1
706.28772	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	706.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	1.1
65.03924	0.4
67.05497	0.4
68.99786	1.7
70.06568	1.2
71.73571	0.3
71.73933	0.3
72.08124	0.5
78.19023	0.3
81.03394	0.3
83.04950	0.3
84.08131	0.9
85.02889	0.8
91.05459	1.0
93.03398	0.5
94.74637	0.3
95.04952	0.6
97.02876	0.9
109.02848	0.6
111.04453	2.2
116.07056	0.8
118.06539	0.7
119.04932	0.5
123.04421	10.6
125.02333	0.5
127.03978	0.4
130.06509	1.3
131.04889	0.4
135.04408	8.1
137.05986	0.3
139.03888	100.0
139.87643	0.4
140.04214	2.1
144.08032	1.2
145.06491	0.5
147.04414	2.8
151.03891	5.0
153.06940	1.2
156.08113	0.4
159.04410	0.7
161.05957	0.8
163.02483	0.5
163.03894	10.0
165.05463	1.0
167.04886	0.5
167.42198	0.3
172.07561	0.7
173.05977	0.8
175.03880	0.6
177.05409	0.4
177.94051	0.3
179.03378	4.2
179.07028	0.4
181.06497	1.3
183.04790	0.3
185.05968	1.1
187.03876	1.0
189.05498	1.1
190.08585	0.8
197.05956	0.7
199.07500	0.7
201.05460	0.6
203.03340	0.6
209.06032	0.7
213.05437	2.0
213.07332	0.3
215.03297	0.5
215.06924	0.4
217.04953	1.1
227.06955	1.0
229.05000	1.7
231.06566	0.5
237.05467	1.0
241.04868	1.5
245.04442	2.1
255.06483	4.3
257.04495	0.8
259.06046	0.8
265.05032	0.5
269.04523	0.5
271.06003	0.9
273.07489	0.9
283.06003	13.8
284.06390	0.6
287.05429	2.1
289.07123	0.8
291.08624	10.3
292.09000	0.4
299.05490	2.5
301.07053	31.4
302.07452	1.0
303.08557	2.3
311.05548	1.1
348.10550	0.6
421.09116	2.8
433.08978	0.4
439.10300	5.8
440.10593	0.4
591.14771	2.1
706.28772	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.4562
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	11.2
55.01866	4.6
55.05508	21.6
57.03435	5.5
57.07072	3.9
61.02934	2.4
61.43620	1.5
65.03941	8.9
67.05498	87.4
69.03429	24.7
69.07063	19.3
69.42283	14.2
69.42694	4.0
71.04984	58.0
73.06528	1.8
75.04478	1.7
77.03936	1.9
78.14786	1.6
79.05486	67.2
79.39108	1.4
81.03410	55.6
81.07048	100.0
83.04972	11.9
83.08626	9.9
85.02901	6.8
85.06551	6.6
87.04459	2.0
91.05473	66.9
93.07036	68.4
95.04950	14.8
95.08597	44.4
97.02885	19.2
97.06512	9.4
97.10166	4.0
98.21471	3.7
99.04432	9.6
99.08083	3.4
103.05456	2.7
105.07018	37.4
107.04961	4.8
107.08588	38.3
109.02863	8.8
109.06519	4.5
109.10149	18.3
111.04447	9.0
111.08108	4.7
113.06065	1.6
117.07001	14.1
119.06056	2.2
119.08578	16.3
121.06499	3.6
121.10130	24.8
123.04397	1.9
123.08083	2.2
123.11691	13.2
125.09614	2.3
127.03897	8.4
129.05516	2.0
129.07031	5.7
131.08562	19.3
133.10123	30.1
135.08006	2.9
135.11690	17.2
142.07797	1.9
143.08600	3.7
145.10074	9.9
147.11656	10.9
149.09634	4.2
149.13237	20.7
151.11183	9.2
155.08621	4.2
157.10181	5.7
159.11684	20.0
161.13306	4.9
163.11205	5.8
165.12781	2.6
168.39774	1.7
169.10255	1.7
169.12267	3.2
171.11697	2.4
173.04462	15.5
173.13284	4.7
175.11234	2.4
177.12770	8.6
183.11855	1.7
183.12347	2.0
183.13791	11.1
185.13284	2.2
187.13280	15.8
187.14746	2.6
193.12347	2.8
195.13841	7.8
201.14902	6.0
211.13229	1.8
213.14864	2.2
227.12756	9.3
243.21095	2.2
257.17532	7.1
259.20590	3.8
261.22202	6.5
275.19785	2.0
283.15613	3.0
299.23779	1.8
317.84824	2.4
321.17017	3.2
335.25934	5.1
339.17990	9.8
349.27579	5.0
350.47318	1.8
369.24283	2.4
395.20581	4.3
405.26077	2.0
427.23093	2.9
443.28247	3.5
455.48801	1.7
461.28912	3.6
503.37286	4.9
517.38934	9.4
529.39136	4.0
543.37109	5.1
561.41791	4.5
673.43079	7.5
705.45685	57.3
706.45789	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	705.4564
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02379	3.7
53.03944	10.2
55.01872	4.2
55.05510	24.4
57.03428	5.0
57.07070	5.6
61.02927	1.6
65.03941	3.3
65.20139	1.6
67.05501	90.6
68.83390	1.5
69.03430	23.2
69.07064	19.0
69.95402	1.6
71.04988	60.6
71.72971	1.6
71.73344	2.0
74.38602	1.5
79.05490	66.2
81.03414	57.4
81.07055	100.0
83.04992	12.6
83.08604	13.0
83.23556	1.6
85.02890	8.2
85.06541	8.2
87.04477	3.7
88.54614	1.6
91.05472	67.8
93.07040	67.5
95.04968	12.3
95.08602	44.3
97.02890	15.2
97.06530	11.7
97.10178	4.8
99.04451	6.6
99.08095	2.0
101.10215	1.6
105.07018	36.0
107.04955	4.1
107.08589	34.2
107.09242	2.6
109.02892	8.5
109.06528	4.0
109.10158	18.3
111.04451	8.7
111.08081	4.6
117.07007	13.3
119.08571	17.7
121.10131	23.0
123.11711	12.5
125.06043	2.3
125.09625	2.1
127.03884	10.5
129.05531	2.2
129.07011	4.2
131.08565	20.5
133.06496	2.2
133.10117	28.2
135.11668	15.7
135.12543	1.6
143.08606	4.1
145.10103	11.6
147.08055	3.0
147.11649	11.6
149.09680	4.5
149.13239	15.0
151.11156	11.3
157.10144	6.0
159.08229	1.7
159.11696	19.4
159.12794	2.0
161.13304	5.1
163.11270	6.2
163.14774	2.1
169.10228	2.5
169.12199	2.9
171.11719	3.9
173.04440	16.3
173.05722	1.8
173.13304	6.0
175.11298	2.8
175.14912	2.4
177.12732	8.5
183.06529	2.1
183.11821	1.8
183.13776	8.1
184.07315	2.6
185.13327	2.7
187.13341	15.0
193.12299	3.0
195.12024	1.6
195.13850	6.5
201.13020	2.0
201.14784	7.5
211.13199	2.5
213.14796	1.8
227.12790	7.8
243.21016	2.9
257.17557	5.6
261.22256	6.5
267.15991	1.8
269.17587	3.2
275.20370	2.1
317.25064	2.7
321.17041	2.5
333.24524	2.8
335.25940	3.2
339.18039	9.5
349.27600	4.7
351.23123	2.9
369.24277	3.0
395.20718	2.9
417.97055	2.0
427.23718	3.9
443.28113	2.7
461.29083	2.1
503.37271	2.7
517.39008	9.7
525.36407	3.0
529.38861	4.8
543.36938	5.9
545.38428	1.8
561.41907	4.5
606.68207	1.8
673.43170	8.5
687.44489	1.9
705.45752	65.6
706.45874	2.9
707.65283	1.9
722.13928	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.456
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01573	1.7
51.02371	2.4
53.03957	10.8
55.01843	3.2
55.05504	19.2
57.03421	7.3
57.07057	5.4
59.04996	4.7
62.16876	1.9
65.03912	4.6
67.05498	84.1
69.03423	26.7
69.07070	19.1
71.04618	3.7
71.04984	60.3
71.53955	1.9
79.05018	3.6
79.05483	60.5
81.02945	2.8
81.03413	46.0
81.07047	100.0
83.04961	13.5
83.08624	10.4
85.02866	7.0
85.06523	9.0
85.10144	2.7
87.04465	2.1
89.06007	3.9
91.04929	3.6
91.05473	61.3
91.06039	4.3
93.07034	65.8
95.04971	14.7
95.08588	38.0
97.02877	14.0
97.06515	9.0
98.21503	3.6
99.04411	6.0
99.08059	4.6
105.04502	2.4
105.07017	34.9
105.94757	2.1
107.04940	3.6
107.08578	33.2
109.02861	8.5
109.06500	5.1
109.10141	18.6
111.04433	7.4
111.08035	3.6
117.07021	14.2
119.08556	20.2
121.06512	2.8
121.10114	23.5
123.08065	3.7
123.11689	14.0
127.03883	9.9
129.07001	5.8
131.08543	18.0
133.10110	30.2
135.08026	2.0
135.11673	19.4
141.06949	2.9
143.08536	4.7
145.06349	3.0
145.10080	10.6
147.11671	14.7
149.13249	15.5
151.11102	11.1
155.08502	2.9
157.10043	4.4
159.10751	1.8
159.11688	18.4
161.13217	8.0
169.10130	2.7
169.12221	3.4
171.06569	2.4
171.11670	2.4
173.04402	14.5
173.13255	4.3
175.11133	2.9
175.14764	2.6
177.12698	8.7
183.13768	10.2
187.13272	17.2
187.14740	3.0
195.13847	6.1
201.12830	2.1
201.14731	4.6
242.00772	2.2
246.44708	2.5
257.17416	8.3
259.20483	3.2
261.22122	5.1
269.17313	5.7
300.18045	4.0
301.21478	2.0
317.24643	3.2
321.17068	2.7
335.25836	4.7
339.17920	8.2
349.27139	6.4
351.23285	4.9
369.24023	4.5
395.20471	2.5
427.22913	4.8
433.61340	2.2
461.28821	6.0
503.37189	3.5
517.38922	12.1
529.38824	2.6
561.41345	4.5
616.72443	2.3
673.43060	10.4
705.45703	64.5
706.46423	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	705.4202
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.5
55.01862	7.6
55.05502	25.8
57.03426	7.1
57.07066	5.5
64.50089	1.9
65.03928	5.2
67.05498	71.8
68.05794	2.1
69.03418	5.1
69.07066	27.6
71.04981	4.8
79.05486	49.5
79.42280	1.6
81.03403	16.6
81.07048	74.3
83.04968	8.0
83.08614	12.9
83.77618	1.8
85.02882	3.2
85.06522	4.7
87.04454	2.0
87.12063	1.9
88.98259	1.9
91.05471	47.6
93.07033	54.2
95.01325	6.4
95.04958	13.7
95.08601	55.1
96.08993	2.0
97.02872	3.2
97.06525	7.8
97.10157	8.4
98.21443	6.1
99.04449	2.3
103.05468	2.6
105.07016	49.7
106.63892	1.8
107.04951	7.0
107.08582	34.3
109.02851	1.9
109.06515	6.2
109.10134	22.2
111.04436	2.3
111.08097	2.8
113.02383	2.4
115.05483	2.2
117.07010	27.4
119.03490	1.5
119.08574	46.0
121.06563	8.4
121.10136	28.6
123.04399	2.9
123.08062	5.7
123.11696	10.0
125.02351	2.2
125.09603	2.6
128.06223	4.8
129.06979	16.1
130.07750	1.6
131.08560	43.3
133.06499	4.2
133.10129	40.3
135.08035	6.7
135.11684	15.0
137.05923	3.1
137.09602	3.5
137.13139	1.6
141.01770	4.7
141.06984	7.7
142.07732	3.0
143.08542	18.6
145.06491	4.7
145.10121	33.7
147.04388	3.1
147.08037	4.8
147.11661	24.9
149.05927	2.1
149.09622	5.0
149.13182	9.1
155.08546	8.7
156.09299	1.8
157.10092	15.4
159.08087	4.4
159.11681	32.2
161.09599	2.8
161.13280	13.8
163.11143	2.2
163.14803	2.5
167.08545	2.8
169.10120	11.1
171.08104	2.9
171.11691	17.1
172.40811	1.8
173.06042	1.9
173.09604	3.3
173.13228	20.4
175.11185	2.8
175.14893	4.0
177.12755	4.1
179.08684	1.8
181.10155	5.3
183.08037	2.3
183.11668	10.3
185.09596	2.2
185.13266	12.8
187.11125	2.6
187.14729	9.6
189.12729	1.9
191.10657	2.0
193.10185	3.0
195.11687	7.1
195.49371	1.6
197.09659	2.7
197.13249	7.6
199.14787	7.7
201.12769	3.0
201.16397	4.7
205.12440	1.9
205.15979	2.0
207.11888	2.7
207.13739	9.1
211.14813	3.6
213.16508	2.1
215.14334	3.0
221.15289	2.7
223.14876	3.5
225.16495	3.0
229.19485	2.0
230.62242	2.0
231.17426	2.2
233.15501	2.1
239.17999	2.1
251.18062	1.9
253.19666	2.1
259.20520	6.3
261.14877	4.7
261.18536	3.0
261.22092	5.3
275.12668	1.8
275.20038	3.3
277.21619	1.8
285.22131	5.2
289.14227	7.8
289.21573	3.0
293.13763	2.4
299.23672	2.7
303.23224	5.5
307.15173	8.0
315.23288	2.6
325.16473	5.5
333.24414	3.0
335.14859	6.7
335.25812	6.2
353.15848	4.2
407.21033	1.8
419.33359	2.5
427.14545	1.8
427.19714	3.4
437.34079	15.1
447.31970	1.9
455.35135	2.8
465.33484	3.2
511.37561	9.3
513.33319	2.1
529.38867	100.0
530.39331	17.9
531.34204	3.7
541.33044	2.3
543.36493	3.0
549.35504	4.0
559.33893	3.2
577.35211	3.9
595.36877	8.6
613.37347	12.5
615.37848	1.8
623.38971	2.7
631.38464	3.7
633.37531	2.4
651.38318	4.4
669.39777	4.6
687.41083	20.7
688.40460	3.3
705.42053	41.9
706.41650	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	705.42
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58768	1.9
53.03933	5.9
55.01854	7.9
55.05513	22.9
57.03429	4.7
57.07056	6.5
65.03935	3.8
67.05501	59.0
69.03407	6.3
69.07068	22.5
70.84648	7.2
71.01358	2.6
71.04982	5.4
74.37212	2.2
79.05489	44.9
81.03419	11.8
81.07047	68.0
81.07539	3.2
82.07384	2.1
83.04948	3.7
83.08614	11.8
85.02883	4.4
85.06527	3.8
91.05474	46.3
93.07032	51.2
95.01315	8.2
95.04960	12.5
95.08011	2.9
95.08597	47.3
97.02879	3.6
97.06519	10.1
97.10136	5.7
99.08035	2.3
105.07025	47.0
107.04933	7.4
107.08568	27.3
109.06524	7.5
109.10155	21.1
111.08073	4.2
115.05455	2.4
117.07003	17.6
119.08578	35.2
120.36028	2.5
121.06494	5.2
121.10130	22.8
123.04408	2.8
123.08085	4.3
123.11694	7.9
125.09696	2.1
128.06146	2.6
129.06995	13.3
131.08557	37.9
133.06476	4.5
133.10109	25.7
135.08023	6.1
135.11691	14.8
141.01790	3.9
141.06955	3.0
142.07803	2.7
143.08542	16.6
145.06511	2.6
145.10110	31.8
147.08028	4.8
147.11670	19.5
149.09601	3.4
149.13255	7.9
151.11180	2.4
155.08517	9.3
157.10104	12.9
159.11671	25.2
161.09625	3.1
161.13246	14.0
163.11197	3.3
163.14886	2.0
165.12738	2.4
167.08482	3.9
169.10109	8.5
171.11687	17.6
173.09512	2.5
173.13245	14.8
175.11098	2.4
175.14807	4.1
177.12773	3.5
181.10173	3.8
181.12236	1.9
183.11716	7.8
185.09586	2.1
185.13235	10.3
187.14784	9.3
191.10741	2.0
195.11658	4.0
197.13243	6.8
199.14807	4.6
207.13765	6.2
209.13239	3.1
211.14752	2.4
215.14255	2.5
221.15265	3.1
223.14598	3.4
225.16446	3.0
233.15254	2.3
235.16933	2.5
239.17967	2.3
243.20938	2.8
247.17032	2.6
257.19092	2.4
259.20438	2.8
261.14703	2.1
261.22131	3.9
267.21161	2.2
275.20050	7.3
285.22281	2.4
289.14362	2.9
293.20956	2.4
299.23788	3.0
301.21597	2.7
303.23093	6.7
307.15305	4.5
325.16226	2.6
335.14902	4.9
353.15912	4.7
393.36655	2.0
427.19507	5.3
437.34052	12.5
441.33682	2.1
455.35242	5.3
456.41235	2.0
511.37735	7.3
513.33643	4.3
529.38879	100.0
530.39246	9.8
531.34430	2.5
549.35278	5.4
577.35559	3.0
595.36084	8.6
613.37207	14.9
631.37695	2.4
633.37720	4.0
651.38916	3.5
669.39575	6.0
687.30798	2.7
687.41132	24.3
705.41919	46.0
706.41718	4.0
739.86133	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	705.4199
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	4.3
55.01868	7.5
55.05504	27.3
56.29372	1.4
57.03413	7.4
57.07063	5.3
59.37634	1.5
65.03928	3.5
66.54122	1.8
67.05498	73.3
69.03421	6.2
69.07060	26.7
70.57461	3.1
70.57831	3.0
71.04990	4.9
77.03934	1.9
79.05486	52.2
81.03413	13.3
81.07049	77.6
83.04980	6.7
83.08607	11.3
85.02897	6.4
85.06542	5.3
91.05471	52.8
93.06433	2.5
93.07035	54.9
95.01315	9.2
95.04960	18.8
95.08595	55.3
96.03046	1.7
97.02872	2.6
97.06529	10.0
97.10167	6.9
99.08086	1.9
105.07023	55.3
107.04946	7.9
107.08588	34.1
109.06516	9.6
109.10134	21.4
111.04449	2.7
111.08080	3.6
113.02349	2.1
115.05429	3.4
117.07005	26.5
119.04954	2.1
119.08562	44.3
119.30024	1.4
121.02951	1.9
121.06503	7.5
121.10140	22.4
123.04410	4.2
123.08051	5.9
123.11713	8.9
125.02361	3.5
125.09605	2.0
128.06238	3.3
129.06972	14.7
131.04971	2.0
131.08557	41.7
133.06468	3.8
133.10117	35.1
135.08044	6.3
135.11691	12.8
136.89397	1.4
137.05994	3.1
137.09613	5.5
139.03972	1.6
139.11172	2.0
141.01811	4.4
141.07002	5.7
142.07759	3.9
143.08543	18.6
145.06483	4.2
145.10117	37.3
145.11234	2.8
147.04376	2.5
147.08023	4.8
147.11671	20.5
149.05904	1.9
149.09621	4.9
149.13245	8.1
151.11150	2.2
153.06926	2.2
155.08557	9.3
157.10088	16.9
159.08025	2.8
159.11681	28.4
161.06001	2.6
161.09648	4.5
161.13234	13.6
163.03896	1.9
163.07510	3.2
163.11171	5.4
163.14908	1.7
167.08562	3.3
169.10095	9.6
171.08116	2.0
171.11678	20.8
173.09682	3.6
173.13263	16.1
175.11169	4.7
175.14832	6.1
177.12752	3.3
179.08574	1.9
179.14355	2.9
181.10152	6.5
183.08047	1.8
183.11670	11.9
185.13211	16.1
187.11162	3.1
187.14815	8.1
189.09058	1.9
189.12798	2.3
189.16267	2.0
193.10085	2.9
195.11697	4.9
197.13297	6.8
199.11143	3.5
199.14862	8.9
201.12842	1.7
201.16235	3.5
207.13766	8.0
209.13216	4.0
211.14758	3.7
213.12820	1.8
213.16454	3.0
215.14386	2.7
221.13376	1.8
223.14722	2.3
227.17976	2.7
233.15450	2.1
237.16565	2.0
241.19539	2.9
259.20596	4.7
261.14716	3.9
261.22153	3.5
275.20087	2.8
285.22025	4.1
289.14328	6.1
291.15881	2.6
293.13666	2.8
293.17566	1.8
299.23648	2.7
301.21591	4.2
303.23206	5.3
307.15466	9.8
311.23993	1.6
317.24539	2.0
325.16638	5.1
329.25162	1.6
333.24374	3.1
335.14801	5.7
353.15988	3.1
419.33115	3.8
427.19418	3.3
437.34140	11.5
455.35196	4.9
473.36743	3.2
477.33786	2.0
483.33923	2.2
511.37570	6.9
512.38354	1.7
513.33618	2.0
529.38849	100.0
530.39630	10.5
531.34155	3.2
543.37408	1.7
549.35773	3.7
551.36884	2.1
559.33777	3.7
567.36707	3.1
577.34857	4.3
595.36188	5.2
613.37109	14.4
623.39056	2.4
631.38171	3.4
633.37708	3.0
651.38593	3.7
659.41003	2.4
669.39630	5.1
687.40887	22.1
705.41754	42.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.42
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	5.0
53.31984	2.2
55.01867	10.2
55.05509	25.4
57.03427	7.4
57.07075	2.4
61.99411	2.4
63.52986	3.5
65.03949	3.7
67.05500	60.2
69.03416	6.9
69.07070	21.8
69.51885	17.7
69.52293	7.3
71.04982	7.9
73.46161	2.8
79.05486	44.9
81.03411	13.5
81.07050	63.5
83.04973	7.1
83.08622	6.6
85.02893	5.1
85.06555	2.7
91.05476	40.8
93.07037	56.9
95.01327	5.1
95.04964	18.3
95.08601	44.4
97.02887	4.4
97.06519	6.2
97.10164	4.9
105.07017	47.3
107.04977	5.1
107.08581	34.1
109.02924	3.1
109.06525	4.6
109.10161	17.3
111.08037	3.5
112.07587	14.8
113.05994	11.3
117.07014	21.7
119.08572	41.8
121.06520	10.0
121.10130	23.8
123.08051	9.0
123.11695	7.2
125.02303	2.5
125.09634	3.1
127.03973	2.9
128.06184	3.2
129.06989	12.9
130.75838	2.6
131.08551	36.4
133.06532	4.9
133.10107	28.2
135.08052	4.4
135.11676	15.6
137.05980	2.7
137.09616	3.6
141.07002	3.1
143.08560	17.9
144.09373	3.3
145.06497	3.0
145.10109	40.1
147.08040	3.9
147.11679	21.5
149.09624	4.0
149.13283	9.2
153.12662	3.3
155.08603	6.8
157.10089	14.0
159.08113	3.1
159.11659	22.5
161.05972	2.4
161.13237	12.5
163.11189	5.1
164.52446	2.7
167.08662	4.6
169.10135	8.3
171.11717	16.5
171.13043	2.6
173.09596	3.5
173.13271	9.5
175.14813	3.6
181.10100	3.8
183.11736	6.7
185.13283	9.4
187.11171	3.7
187.14851	9.8
195.11668	6.2
195.13898	3.0
197.13258	7.3
199.14888	4.3
201.12820	2.8
201.16382	4.3
207.13878	4.5
213.16374	3.3
221.15385	2.7
235.14813	3.0
261.22318	4.6
263.20169	4.2
271.20547	3.6
275.20245	4.4
285.22226	5.2
303.23187	4.1
307.15323	5.3
311.05685	5.1
325.16446	2.9
349.24417	2.7
381.15726	13.0
409.23801	2.8
419.33273	4.1
427.19775	6.2
437.34036	11.0
455.35132	5.1
465.33075	3.3
511.37280	5.6
529.38885	100.0
530.39502	9.9
577.35028	4.7
585.37311	3.6
595.36444	2.9
613.37244	16.3
631.37640	5.1
633.37616	3.8
651.38800	3.4
669.39868	8.3
687.40894	20.8
705.41980	48.2
706.42346	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	705.402
Annotation	Voacamidine
Peak:m/z	Relative Intensity
57.07072	0.6
59.05019	0.6
67.05495	1.0
69.07051	0.4
71.04974	0.6
71.08629	0.9
71.63913	0.4
71.64725	0.6
73.06541	0.3
75.57348	0.3
79.05486	0.8
81.03366	0.4
81.07046	0.9
85.10172	0.4
85.18087	0.3
85.79932	0.3
87.04472	0.5
89.06034	0.5
90.01928	0.6
91.05491	0.7
94.95418	0.3
95.08588	0.7
105.58513	0.3
107.08546	0.3
109.10082	0.3
117.09149	0.3
119.08612	0.4
154.10880	0.3
184.07373	1.0
185.04182	0.9
227.12735	0.6
259.07880	0.4
347.09558	1.0
480.89795	0.3
543.35016	22.4
544.35565	0.7
705.40228	100.0
706.40265	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	703.386
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	0.9
57.35101	0.3
67.05495	1.7
69.07052	0.8
79.05497	1.2
81.03395	0.8
81.07056	1.7
83.08601	0.6
91.05492	1.5
93.07042	1.3
95.08591	1.1
105.07036	1.4
107.04967	0.6
107.08614	0.9
109.10149	0.6
117.07039	0.6
119.08589	0.8
121.10168	0.9
131.08583	1.1
133.10193	0.6
159.11728	0.7
179.25352	0.5
185.04250	0.8
209.13065	0.5
234.45918	0.4
259.07965	0.6
287.95786	0.5
291.19507	0.5
298.28833	0.5
347.09653	0.7
541.33435	19.3
542.33783	1.5
703.38690	100.0
704.38940	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	704.515
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00288	0.8
53.03938	0.6
55.01865	1.6
55.05500	4.0
57.03454	0.7
57.07072	42.0
59.05000	16.5
65.03948	0.5
67.05501	7.3
69.03430	1.7
69.07078	3.3
71.04980	0.9
71.08627	78.0
72.08949	0.7
73.02905	1.6
73.06559	5.2
79.05490	4.7
81.03407	1.8
81.07051	6.5
82.07401	0.7
83.04982	0.8
83.08604	2.1
85.02863	0.8
85.10177	42.9
87.04460	17.9
89.06026	100.0
91.05478	5.0
91.07559	0.8
92.05797	0.9
93.07043	5.9
95.01321	0.8
95.04971	1.6
95.08598	4.2
96.08923	0.9
97.06525	0.7
97.10178	1.3
98.21420	1.1
103.07570	6.0
105.07027	4.6
107.04992	1.0
107.07088	5.1
107.08575	3.1
109.02834	0.6
109.06536	0.9
109.10137	1.8
109.18163	0.6
110.61028	0.7
111.08058	0.8
111.11700	1.1
117.06996	2.2
117.09138	5.3
119.08563	2.3
121.10110	2.1
127.14796	4.3
129.06992	1.2
130.08615	3.2
131.07030	6.6
131.08527	2.7
133.08600	69.2
133.10013	3.1
135.10127	0.7
135.11707	1.4
139.15752	0.5
141.06929	0.7
141.16458	0.7
143.08582	1.3
145.10095	3.0
147.04370	0.7
147.11624	1.6
149.09563	0.7
151.09625	0.9
155.08510	0.6
157.10126	1.1
159.11636	1.9
161.11765	1.3
161.13165	0.7
169.10095	1.4
171.11694	1.3
173.13205	1.2
175.09688	4.2
177.11220	28.8
183.11731	1.3
185.13222	1.1
185.19002	6.2
219.12238	1.7
221.13803	5.0
223.15034	1.0
229.21640	4.9
229.49126	0.8
239.14786	2.1
241.19838	0.5
265.16589	0.9
267.17984	0.7
275.19913	0.9
283.17416	2.5
309.19009	0.8
327.19901	1.1
333.12729	0.6
349.23752	0.6
352.15195	0.6
373.98410	0.6
454.18393	0.6
459.27585	1.6
503.30521	5.0
543.34589	1.0
686.39130	1.2
687.38812	0.9
704.40637	3.7
704.50751	2.1
705.40735	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	702.5355
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00299	0.8
55.05505	1.9
55.08669	0.6
56.75193	0.5
57.07070	100.0
58.07412	0.7
59.04995	21.3
64.41934	0.5
69.07076	1.7
69.80209	4.7
71.08624	70.2
73.02914	0.8
73.06572	0.8
81.07048	2.0
82.23421	0.6
83.08626	1.6
85.06609	0.6
85.10175	59.1
86.09707	1.9
87.04465	7.9
89.06022	58.6
93.07062	0.6
95.08623	1.1
97.10181	2.7
99.11729	12.8
101.09665	1.5
103.07577	0.9
105.07053	0.6
107.07077	2.7
110.75541	0.6
111.11716	1.2
113.13277	3.9
117.09120	5.5
125.00010	0.9
125.13296	0.6
130.08650	1.8
131.07022	3.3
133.08592	42.6
147.10222	0.6
154.33940	0.6
155.17931	8.2
156.83968	0.6
175.09747	2.1
177.11209	18.8
184.07353	3.0
195.63918	0.6
213.22119	13.9
221.12016	0.8
221.13748	3.3
239.15051	1.6
254.17482	7.6
254.24957	1.6
271.26309	5.3
271.28528	0.5
283.17612	1.7
288.98663	0.6
300.18073	3.6
327.20370	1.8
371.22794	1.5
407.27908	0.6
407.87534	0.6
415.25381	8.6
455.28891	0.7
473.29926	0.9
485.05527	0.7
702.47424	4.4
703.48108	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.3707
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05485	0.2
69.07073	0.2
71.75225	0.2
72.40297	0.2
81.07032	0.2
149.02370	0.2
173.02985	0.2
185.04250	0.6
203.05267	1.9
204.89345	0.2
256.23950	0.2
259.07880	1.5
321.22833	0.6
347.09473	1.4
365.10440	3.0
385.24704	0.2
421.13101	0.9
539.31836	16.7
540.32343	0.3
633.00879	0.2
701.37073	100.0
702.37396	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	702.3838
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	0.6
54.26698	0.4
55.01884	0.4
55.05490	1.4
57.07071	8.2
57.39557	0.4
58.06598	2.2
60.25842	0.4
65.03937	4.7
67.05489	1.5
68.04986	0.4
69.03416	0.6
69.07050	0.6
70.06586	23.7
70.31425	2.0
71.08624	4.3
72.08145	1.1
74.06070	0.6
79.05482	0.8
81.03412	0.5
81.07039	1.6
84.08128	1.1
85.02865	0.4
85.10168	0.9
86.09705	1.0
88.07623	21.5
89.06060	0.4
89.07881	0.4
91.05458	1.1
93.03388	0.5
93.07034	1.3
95.04951	1.1
95.08589	1.6
97.02883	0.9
102.09171	16.0
105.03369	0.7
105.07006	0.5
118.88293	0.4
119.08607	0.5
121.02850	1.8
132.10167	1.0
133.10120	0.5
139.03894	3.3
146.11806	2.1
147.04396	1.2
147.11600	0.6
149.02333	67.2
149.03423	5.3
175.03949	2.0
177.05484	0.8
179.42435	0.4
184.07248	0.6
186.42760	0.4
193.04953	33.8
194.05284	0.4
197.69054	0.4
212.23763	0.9
219.06491	1.3
225.05394	0.8
235.08992	0.4
237.07542	4.4
256.26334	53.7
257.26688	1.1
263.09119	1.2
269.04556	0.7
291.19583	0.7
295.09747	0.5
297.03983	1.0
300.28964	8.1
313.07025	1.2
341.06552	6.1
359.07599	3.3
385.09134	10.1
387.10870	0.8
403.10168	13.0
429.11765	22.8
430.12051	1.2
473.14435	14.0
473.19437	0.5
474.14563	0.6
591.01123	0.4
640.34766	1.7
684.37512	1.8
702.38348	100.0
703.38794	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	700.4469
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17405	0.3
52.46644	0.4
55.05283	0.4
55.05503	4.9
57.03436	3.3
57.07068	35.3
60.45379	0.4
61.02919	13.9
67.05496	10.0
69.03402	1.4
69.07059	8.0
69.98080	1.7
69.98489	0.7
71.08621	30.5
73.02587	0.4
73.02913	5.0
75.04483	2.1
75.19002	0.4
79.05481	0.9
81.03384	0.9
81.07046	15.0
83.08611	9.5
85.02893	17.3
85.06551	0.6
85.10172	18.7
85.10683	0.9
86.09695	0.6
87.04437	0.5
89.06010	0.9
91.03947	13.7
93.06994	0.7
95.08594	22.8
97.02877	7.3
97.10153	9.8
99.04431	1.1
99.11694	1.9
103.07558	0.5
109.02843	0.7
109.10144	11.1
111.11698	4.6
113.13277	0.6
115.03895	0.9
123.11698	6.0
125.13236	0.9
127.03900	5.2
137.13242	2.5
145.04938	6.8
151.14778	1.1
163.06010	12.0
167.17917	0.4
184.07288	1.1
201.66716	0.4
217.66231	0.4
249.25755	1.1
267.26807	24.1
285.27856	3.6
308.07782	0.4
326.30652	0.5
341.30463	100.0
342.30872	2.3
359.31516	26.2
360.31821	0.8
487.01553	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.3708
Annotation	Unknow
Peak:m/z	Relative Intensity
59.75952	0.4
69.55034	2.4
69.55459	1.8
98.21275	1.7
113.09728	0.5
143.25841	0.5
185.04271	1.1
321.22568	0.5
336.18869	0.5
347.09375	0.6
350.88907	0.5
539.31879	20.6
694.08746	0.5
701.37134	100.0
702.37140	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	700.28
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21825	0.4
53.03941	0.8
55.01856	1.0
57.03426	1.0
60.04502	0.5
61.02917	1.2
63.68615	0.4
65.03908	0.4
69.03416	3.8
69.41872	4.2
70.06581	9.6
71.04969	0.6
71.06903	0.5
72.08150	2.9
73.02926	0.6
74.06054	0.7
79.05486	1.4
80.98701	0.4
81.03403	1.8
81.07044	0.8
84.04501	1.0
84.08131	2.2
85.02895	10.8
86.06079	0.5
86.09697	4.3
91.03935	0.7
91.05463	5.0
93.07005	0.8
94.04166	1.6
95.04945	0.7
97.02871	3.6
98.21448	1.0
99.04459	0.6
102.05529	0.4
103.05444	7.8
105.07018	4.6
107.04934	2.0
109.02879	0.8
109.06517	1.2
109.18015	0.5
115.05457	2.8
117.06995	2.7
119.04923	0.7
119.08559	5.0
120.08130	0.5
121.06498	1.3
122.03632	5.6
125.05995	0.4
127.03958	2.2
127.04716	0.4
128.06216	2.6
129.07002	4.0
129.10223	0.8
130.05013	0.5
131.04906	16.5
132.05721	4.5
133.06480	3.4
135.04379	0.5
137.05957	100.0
138.06313	1.4
141.06943	0.9
143.04926	0.9
143.11786	2.7
145.04892	2.3
145.06467	1.9
146.03612	0.7
147.04430	1.0
147.08026	7.6
149.05963	2.0
151.03807	0.4
151.07509	1.4
155.04869	0.7
157.06384	1.2
159.07996	1.9
160.05208	3.9
161.05960	13.7
163.07521	25.8
164.07907	0.5
165.06914	0.6
169.06494	1.0
169.13354	1.4
171.11324	0.8
172.05238	0.7
174.06763	0.5
175.07523	77.3
176.07889	1.8
177.05460	0.5
177.09070	0.5
179.07025	1.2
184.05197	0.6
185.06003	0.5
186.06799	0.6
186.34865	0.4
187.07536	7.3
189.09071	1.7
190.07759	1.0
191.08522	4.5
193.08592	3.9
197.12770	1.0
197.16452	0.8
199.07535	4.7
201.09048	2.3
202.07736	1.5
203.08527	3.0
205.06573	0.4
205.08542	1.0
207.08072	0.5
217.08559	1.4
218.07294	1.3
219.08009	7.2
220.08774	1.4
231.08029	3.8
232.08722	1.0
233.09525	0.6
235.07549	0.5
235.11177	0.6
236.08272	1.7
237.09079	0.6
246.62874	0.4
247.07533	3.5
248.08261	1.9
249.09186	0.9
251.10658	12.4
255.61804	0.4
259.07544	3.3
260.08264	2.0
261.09045	1.2
262.09897	0.5
263.10715	2.9
264.07797	1.2
265.08524	0.7
272.16000	3.4
273.16315	1.2
276.07721	1.5
277.08521	1.6
279.10095	9.0
280.10715	1.0
281.08029	0.8
291.10104	7.7
292.10760	1.5
293.08264	0.7
295.09631	0.6
295.13016	0.6
296.10342	1.6
297.15628	0.7
308.10309	1.1
309.11163	1.3
311.12726	31.6
312.12949	1.5
312.17499	0.5
323.12744	18.6
324.13028	1.1
325.14307	8.4
329.13696	0.8
341.13824	6.0
356.44571	0.4
382.24405	0.8
400.25427	0.6
410.23636	1.0
411.24225	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	700.2799
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.5
55.05497	0.4
57.03424	0.6
57.81871	0.3
61.02920	0.5
63.34154	0.3
65.03937	0.4
66.04718	0.4
66.62329	0.3
69.03414	1.6
69.76171	1.9
69.76582	0.9
70.06583	2.0
71.04986	0.5
72.08133	0.4
72.81888	0.4
79.05477	1.5
81.07038	0.6
84.04498	1.3
84.08105	0.5
85.02888	4.4
86.09695	0.8
87.51659	0.5
91.05483	2.3
94.04153	1.8
95.04944	0.7
97.02872	1.0
98.20682	0.6
103.05456	1.3
104.06228	0.4
105.07019	4.8
107.04942	0.6
109.02867	0.7
109.06490	2.2
110.07146	0.4
115.05447	1.9
117.06981	0.8
119.04959	0.8
119.08556	1.5
121.06505	0.7
122.03626	4.7
124.12141	0.4
127.03889	1.2
128.06186	1.0
129.07059	1.8
129.10187	0.5
131.04895	1.5
132.05675	0.8
133.06480	4.6
137.05963	100.0
138.06306	1.3
143.04938	0.6
143.06073	0.4
144.05696	0.6
145.04991	0.9
145.06435	1.1
146.03618	0.8
147.04404	1.1
147.08032	2.0
149.05986	1.7
151.07515	1.2
155.04912	1.3
156.05655	0.5
157.06419	0.6
159.08054	3.0
160.05200	0.9
161.05968	13.3
161.07318	0.7
163.07542	1.2
167.07019	0.4
172.05182	1.5
175.07535	22.6
176.07866	0.6
177.09152	0.5
179.07042	1.9
184.05194	0.7
187.07527	10.6
188.07999	0.4
189.07001	0.6
189.09064	1.1
190.07750	2.6
191.08540	9.3
199.07518	4.4
202.07748	1.1
203.08514	2.8
208.08820	0.9
217.08664	1.3
218.07262	2.1
219.08037	12.6
220.08748	2.7
224.96651	0.4
231.08011	3.9
232.08704	0.6
233.09608	1.3
235.07526	1.1
235.11188	0.7
236.08347	2.5
237.09004	0.5
247.07503	6.1
248.08276	2.9
249.09091	0.8
251.10654	24.4
252.11058	0.9
253.08517	0.6
253.12325	0.7
259.07581	2.9
260.08292	1.4
261.09146	2.1
262.09796	0.5
263.10651	2.1
264.07834	1.9
265.08472	0.8
276.07788	1.0
277.08548	1.4
279.10144	18.4
280.10770	1.4
281.08105	0.9
281.11456	0.4
291.10162	7.6
292.10825	1.4
295.09796	0.6
295.13058	0.7
296.10382	1.7
308.10358	0.8
311.12741	54.6
312.13104	1.3
313.14352	1.8
323.12735	21.2
324.13028	0.5
325.14203	0.7
341.13828	7.5
503.19095	2.2
580.16248	0.4
700.25281	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.3555
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19850	0.4
59.11817	0.4
64.56774	0.5
68.64737	0.5
70.12498	1.0
70.12911	1.6
82.80914	0.5
84.48904	0.6
99.59059	0.5
185.04337	0.6
240.66325	0.5
301.19897	0.9
347.09348	1.2
376.12631	0.5
537.30304	16.0
538.30817	1.0
699.35535	100.0
700.35852	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	699.3555
Annotation	Unknow
Peak:m/z	Relative Intensity
57.25769	0.2
67.05517	0.3
71.15103	0.5
110.05267	0.2
173.02965	0.3
179.04185	0.2
181.20546	0.2
185.04250	0.8
190.85161	0.2
192.01833	0.2
203.05251	1.7
221.68443	0.2
259.07953	1.4
272.22458	0.2
281.90912	0.2
301.20172	1.2
302.73712	0.3
305.08090	0.3
347.09445	1.4
365.10519	3.2
421.13275	1.1
537.30292	16.6
538.30811	1.0
699.35559	100.0
700.35742	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	699.3789
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	4.1
55.05500	22.7
56.02877	1.5
56.78279	1.2
57.03426	2.3
57.07061	2.7
58.29173	1.6
59.04979	1.7
67.05497	23.6
69.03064	1.4
69.03416	9.0
69.07066	30.7
69.53370	12.0
69.53783	1.9
70.06580	5.5
71.04984	6.4
72.78896	1.3
79.05482	19.9
81.03412	14.2
81.07048	100.0
83.04981	8.7
83.08616	8.9
85.02902	9.2
85.06526	6.8
91.05458	20.6
93.07037	52.8
94.06567	3.6
95.04952	15.9
95.08596	62.2
96.08136	4.2
97.02883	2.3
97.06522	10.3
97.10153	22.5
99.04424	3.9
99.08097	5.5
103.05452	3.4
105.07019	46.2
107.04954	2.3
107.08581	49.8
107.12717	1.5
108.08110	2.9
109.02892	9.2
109.06506	12.9
109.10149	33.5
110.09665	7.8
111.04441	1.6
111.08074	7.5
111.11705	6.3
113.06004	2.3
113.09646	2.2
117.07011	4.7
119.08569	41.5
120.08125	4.8
121.06519	2.8
121.10135	74.7
123.08072	6.7
123.11697	33.7
124.07601	2.6
125.06018	2.0
125.09609	10.1
127.03865	2.3
127.07563	3.1
127.11309	1.6
128.06248	1.4
129.07066	2.0
129.09019	1.7
131.04904	5.0
131.08559	11.7
133.10109	23.3
135.11673	21.8
136.07552	3.9
137.05969	15.7
137.09598	8.1
137.13255	5.4
138.09106	10.3
139.11159	14.6
141.09000	2.1
141.12682	1.9
143.08548	2.9
145.10100	23.2
145.11075	2.4
147.04433	1.9
147.11673	44.6
147.12845	2.2
148.07558	2.9
149.05975	2.0
149.09596	3.3
149.13228	12.3
151.11172	9.3
153.12767	3.0
155.28564	1.5
157.10196	3.6
157.12199	9.3
158.10822	1.7
159.11664	27.0
160.05180	1.8
161.05956	3.5
161.13254	15.5
163.07555	2.9
163.11153	12.0
163.14812	6.4
165.12758	7.2
165.16309	1.6
166.08620	23.9
167.07071	2.0
169.06490	1.7
169.12247	2.1
171.11732	3.5
172.03908	7.0
173.13275	10.9
175.07520	6.4
175.11105	1.8
175.14801	11.3
177.12732	6.1
177.16359	7.7
181.12288	3.0
185.13222	3.9
187.07561	4.7
187.13298	3.0
187.14799	17.8
189.16440	2.3
190.05009	4.7
191.14334	3.9
193.15865	6.1
195.13820	2.0
195.17491	3.5
199.07585	3.6
199.14905	2.8
201.16321	6.5
203.08510	2.9
203.12743	2.0
203.14276	3.1
204.06599	4.4
205.15886	8.2
209.15518	1.7
211.14934	3.0
213.16405	2.2
215.17920	2.6
219.17526	2.3
221.15282	2.4
223.16895	7.0
233.09496	2.2
237.10126	2.7
237.18282	3.7
247.07312	1.9
255.11169	1.8
257.22626	4.1
259.07584	1.6
261.08984	3.1
265.09692	6.1
267.21091	7.9
273.22119	3.4
275.23630	10.2
279.10825	1.8
283.10861	1.8
285.22174	15.7
291.10132	3.2
291.23230	9.4
293.09119	3.5
293.24860	2.3
297.12106	2.4
303.23148	56.1
309.11206	7.5
309.24258	2.5
309.62527	1.7
312.93860	1.5
313.16406	3.0
321.11337	10.5
321.24194	66.5
323.12766	1.9
325.11749	7.1
329.16003	2.7
331.17508	5.8
335.10165	2.4
339.25247	10.1
341.11249	4.1
353.11359	5.1
367.21024	2.1
371.20294	1.6
373.13959	3.8
375.17511	1.8
385.14117	1.9
385.22144	4.4
399.23700	1.9
403.22961	1.8
447.27161	2.5
453.28302	8.3
465.18536	2.8
465.28500	18.4
471.29611	13.1
478.19705	2.0
483.29517	33.1
488.17776	2.6
501.30576	25.2
506.19226	38.9
538.21466	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	699.2793
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	0.7
65.03929	0.6
66.04733	0.4
70.06586	3.3
71.75274	0.6
72.08123	0.7
79.05461	1.0
81.07045	0.7
84.04475	0.6
84.08128	1.1
86.09692	1.9
91.05473	2.3
94.04189	2.9
94.11556	0.5
95.04955	0.9
103.05448	1.3
105.07047	0.8
107.04929	0.9
115.05432	1.3
116.45596	0.5
117.06992	0.6
119.04912	1.1
120.08077	0.5
122.03631	8.1
128.06224	0.6
129.06992	0.9
129.10263	0.9
131.04915	3.8
133.06447	0.8
137.05962	100.0
138.06316	1.7
141.06956	0.6
143.04927	0.9
145.06479	0.8
147.04407	1.6
149.05997	1.3
151.03882	1.6
151.07527	4.9
152.06218	0.6
153.05508	0.8
153.06963	0.6
155.08572	0.5
157.06549	0.6
159.08087	0.7
161.05930	3.9
163.07539	4.0
165.06979	1.3
167.07018	1.3
167.08456	0.8
169.06471	0.6
172.05217	0.7
174.06795	0.5
175.07556	2.7
177.05464	1.1
179.07034	1.4
181.06432	1.6
187.07513	3.0
189.09085	0.8
193.06476	0.9
194.07208	0.9
195.08051	1.3
199.07507	1.8
201.09108	1.0
202.07869	0.7
203.07040	0.7
205.08510	0.6
210.06691	0.6
211.07533	1.5
213.09094	1.7
215.10556	1.1
219.08020	1.2
219.10222	0.6
221.05960	0.8
223.07491	0.6
224.08296	0.5
225.09129	2.1
227.06836	0.5
227.10530	0.9
229.08522	1.1
231.08008	0.7
235.07367	0.5
238.06268	0.8
241.08543	1.5
243.10126	1.5
251.06967	0.6
252.07779	0.5
253.08540	2.7
255.09956	0.5
258.78671	0.4
259.09747	0.7
261.08969	0.6
263.10522	1.0
265.08633	1.4
267.10129	1.5
277.08636	1.2
279.09927	0.7
283.09698	0.7
285.08868	0.6
285.11264	6.2
286.09738	0.6
287.12946	1.0
289.08292	0.5
291.10098	1.5
293.71918	0.5
297.11258	2.2
298.38995	0.5
302.08917	0.6
303.10052	0.6
307.09894	0.6
309.11255	0.7
310.34097	0.4
311.12836	1.2
314.09290	0.9
317.11676	0.9
319.09601	0.5
319.13135	0.6
321.11166	0.9
323.12784	2.4
329.11688	1.5
332.10129	0.5
335.12701	1.2
336.80139	0.5
337.14258	1.2
347.12784	1.0
349.10602	0.6
349.14340	2.0
351.15982	1.4
353.13657	1.0
361.14423	1.2
367.15277	2.3
377.14011	0.5
379.15311	2.4
383.15131	0.5
397.16196	2.3
413.13644	0.5
431.14313	0.5
441.33340	0.5
471.17880	0.7
483.17810	1.0
495.18176	0.7
497.19543	1.7
501.19345	0.7
509.19434	0.7
515.20630	1.5
527.20483	0.9
530.04413	0.6
533.21344	0.8
545.21191	0.5
577.18451	0.6
591.19641	0.5
608.20319	0.5
619.22864	0.6
621.24823	2.4
633.24542	1.1
651.25861	4.3
663.25427	1.4
664.26984	0.5
669.26617	1.1
681.26904	12.0
682.26788	0.7
699.26074	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.2793
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	1.4
63.95274	0.9
70.06585	6.3
71.53621	2.2
79.05486	2.4
84.08144	2.1
86.09706	1.8
89.03963	1.0
91.01282	0.9
91.05473	5.9
91.05968	0.9
94.04167	2.9
95.04970	2.0
103.05466	10.1
105.07002	4.0
107.04957	2.5
109.06551	1.1
111.04434	1.2
115.05435	3.7
117.07001	2.5
119.04942	3.7
120.08105	1.2
121.06496	3.3
122.03644	8.5
128.06201	2.7
129.07005	5.8
131.04916	15.7
132.05681	1.6
133.02777	1.3
133.06479	2.8
135.04443	1.5
135.08000	1.6
136.05168	1.2
137.05966	100.0
138.06291	2.4
141.06996	1.6
144.05638	1.3
145.06494	5.0
147.04411	4.6
147.08026	2.8
149.05952	4.1
149.07045	1.0
150.66998	1.1
151.03885	3.7
151.07506	10.7
155.04893	1.2
157.06447	3.0
159.04431	1.2
159.08046	5.9
159.19066	1.1
160.05206	2.2
161.05984	11.8
163.07526	25.3
165.06979	2.4
165.09125	2.1
167.07022	3.9
172.05232	3.1
173.06020	1.6
174.06731	3.1
175.07512	16.3
175.08896	1.3
176.07899	1.8
177.05429	2.1
177.06833	1.3
177.09099	4.2
179.06993	4.4
179.08434	1.6
182.07152	1.4
182.15486	1.2
185.06020	1.5
187.05965	1.9
187.07532	21.5
188.08171	1.2
189.07549	1.0
189.09099	8.1
191.07053	2.5
191.08598	1.8
193.06543	1.5
194.07262	2.6
195.08047	2.3
199.07536	8.7
201.09119	4.0
202.07794	2.0
203.08708	1.7
205.06546	2.2
205.08461	2.0
207.07997	2.9
209.09808	1.1
210.06746	1.4
211.07457	2.2
213.09190	1.4
215.08574	1.5
217.08490	6.5
218.07254	1.8
219.08023	4.1
219.10170	6.6
220.08662	2.1
221.05907	3.0
221.09612	1.5
222.06743	3.3
224.08301	1.3
225.09004	2.1
231.08058	4.3
232.08905	2.0
233.05914	1.2
233.09657	1.8
234.06599	2.0
234.21941	1.2
235.07536	3.4
236.08368	2.1
237.09106	4.3
243.08072	1.9
245.09717	1.3
247.07526	2.2
247.11209	2.1
248.08147	2.5
249.09102	4.4
250.06207	1.6
251.06976	2.3
251.10638	1.6
252.07777	1.9
253.08559	2.4
253.18489	1.3
254.09477	1.8
258.06470	1.5
259.07504	4.0
260.08316	3.2
261.09045	3.8
262.09799	1.2
263.07086	1.1
263.10693	3.2
264.07477	1.3
265.08600	10.9
266.09262	1.8
267.10199	3.4
274.09637	2.5
275.10635	4.5
276.07825	1.9
277.08557	4.3
278.09204	1.6
279.06711	1.3
279.10150	4.5
280.11014	1.2
281.11771	3.0
283.09616	3.6
285.11478	6.0
287.10733	1.2
288.07935	1.9
289.08606	3.5
289.12033	1.4
290.09137	2.5
291.10162	7.3
292.07446	1.4
292.10678	2.7
293.08182	2.1
293.11569	2.1
295.09653	2.7
297.11267	9.4
299.12823	4.2
299.99030	1.0
301.08536	2.3
302.09286	2.9
303.10095	6.8
305.07996	2.8
305.11493	2.3
306.08746	1.5
307.09695	3.0
307.13120	2.2
308.10400	3.6
309.11234	11.2
311.12729	9.5
315.12714	6.4
317.11670	4.1
319.09409	1.4
320.10297	4.3
321.11066	7.8
322.11868	2.1
323.12753	19.1
325.14362	1.8
329.07706	1.2
333.11087	3.3
335.12769	19.2
337.14310	2.5
339.12357	2.4
341.13965	7.0
347.12646	3.3
349.14374	6.3
350.23056	1.8
350.72968	2.0
359.12762	2.1
359.23300	3.1
359.73337	2.2
361.14334	3.4
379.15256	1.2
422.10226	1.2
445.15671	1.4
451.15088	1.7
457.16226	3.1
459.18082	2.5
471.17828	2.5
475.17133	1.5
483.17664	2.4
485.19827	1.7
489.18997	2.5
497.19495	2.5
501.18933	2.9
509.19147	2.4
513.19141	1.9
527.20581	1.3
557.21649	1.4
563.89856	1.1
585.06958	1.2
621.24286	3.2
633.24438	2.9
651.26245	2.2
663.25391	3.8
681.26129	4.9
698.49005	5.1
698.87756	1.6
698.98444	12.0
699.27307	3.3
699.48462	6.1
717.92761	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	698.4315
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00267	0.5
53.03930	1.5
55.01859	0.6
55.05506	24.4
57.03431	5.6
57.07068	15.7
59.04993	0.7
61.02920	23.3
62.06999	0.6
65.03912	1.0
65.74707	0.5
67.05496	30.1
68.05811	0.6
69.03421	2.9
69.07060	43.4
70.06557	0.8
71.04984	2.7
71.08627	10.9
71.75746	0.5
71.76206	1.0
72.08147	0.6
73.02902	9.0
73.06503	0.9
74.09694	0.6
74.13947	0.5
75.04464	2.7
79.05483	11.8
81.03390	1.6
81.07046	40.5
83.04974	1.0
83.08610	35.6
85.02897	31.1
85.06544	2.9
85.10170	5.4
86.09689	0.6
87.04451	0.7
91.03944	23.1
91.05457	1.9
93.05451	0.7
93.07036	16.5
95.08595	44.0
97.02882	14.2
97.06528	5.8
97.10156	22.9
99.04420	1.7
99.08091	3.3
99.11688	0.6
101.02394	0.7
103.03921	0.9
107.07919	0.9
107.08582	14.0
109.02825	1.2
109.06496	0.6
109.09413	1.1
109.10149	21.1
111.08054	5.3
111.11079	0.7
111.11714	8.2
113.09609	1.4
115.03901	1.2
121.10131	31.6
122.10403	0.6
123.10893	0.7
123.11699	8.6
125.09626	2.9
125.13223	2.5
127.03918	10.3
127.11101	0.7
129.09160	0.7
135.11676	25.3
136.12012	0.7
137.13225	3.2
139.11136	2.8
143.14302	1.0
145.04947	15.0
149.13234	11.7
151.14798	4.5
153.12730	1.5
155.14276	0.7
157.12140	0.8
157.15997	0.6
163.06004	22.3
163.14789	5.4
165.16391	3.3
167.14261	0.8
177.16368	3.0
181.15877	1.2
185.15312	1.3
191.17896	2.9
195.17433	0.9
199.16840	0.7
205.19519	0.8
209.18967	0.8
213.18483	1.3
241.77893	0.6
247.24185	34.6
265.25235	100.0
266.25510	1.6
283.26288	20.0
339.28906	96.8
340.29193	2.0
357.29947	51.2
358.30188	1.1
501.34290	1.3
510.25690	0.6
551.97473	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.2639
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05457	2.6
70.06588	6.3
71.58859	1.6
71.75449	3.1
79.05486	4.1
84.08125	2.0
86.09675	2.6
91.05470	9.7
94.04159	3.1
94.64614	1.6
95.04971	2.3
103.05457	4.5
105.07023	15.9
107.04935	2.7
109.06551	1.9
115.05433	8.9
119.04913	3.4
120.08103	1.6
121.06510	3.1
122.03645	7.1
128.06229	5.4
129.06987	6.6
131.04930	7.1
132.05728	3.3
133.06479	7.5
137.05968	100.0
141.06992	1.7
144.05698	2.1
145.06445	4.0
146.03665	1.9
147.04425	4.7
149.05997	2.5
151.03947	5.3
151.07561	6.0
155.04919	2.4
156.05739	2.5
159.08055	8.0
160.05113	1.7
161.05968	26.5
163.07536	4.9
165.06973	4.6
172.05142	9.0
173.05925	3.7
174.06802	2.3
175.07552	18.0
177.05516	2.7
177.09035	2.2
178.07802	2.3
179.07047	2.4
181.06491	2.6
183.04283	2.2
184.05315	3.4
185.05945	3.6
187.07518	28.7
189.07036	3.7
189.09042	3.1
190.07727	2.8
191.08562	2.5
193.06497	2.4
194.07249	7.9
195.08035	3.9
199.07541	17.8
202.07826	4.3
203.08574	4.2
205.06451	5.9
206.07364	2.6
207.08012	2.1
209.09630	1.9
213.09033	2.5
215.08617	5.2
217.08585	2.7
218.07236	7.3
219.08075	3.7
221.05975	4.6
221.09613	2.5
222.06812	5.6
223.07576	2.6
225.09074	4.4
231.08041	4.9
232.08842	3.6
233.05936	2.8
233.09703	6.5
234.06769	3.4
235.07541	4.9
236.08170	2.1
237.09126	6.4
243.08052	3.5
244.09076	2.0
246.06679	4.4
247.07497	3.5
248.08281	2.5
249.09181	6.9
250.06158	2.0
250.09912	2.7
251.07036	4.4
253.08499	3.7
256.08871	2.0
259.07382	3.2
260.08325	3.3
261.08969	11.3
262.09857	1.8
263.07056	3.3
263.10782	2.4
265.08588	18.1
267.10117	5.2
268.07190	3.1
269.08279	2.3
271.07468	4.2
273.11334	3.4
274.06482	2.1
275.10641	5.5
277.08615	11.2
278.09479	5.8
279.10132	3.5
283.09689	5.4
285.11252	16.9
287.10513	2.1
289.08490	8.1
291.10019	3.8
292.10675	2.6
293.11835	3.8
294.08859	2.5
295.09671	7.4
297.11185	29.4
302.09509	1.9
303.10236	5.0
305.08148	2.4
307.09680	6.0
308.10428	2.0
309.11200	13.3
311.12753	2.3
315.10007	3.8
320.10400	3.8
321.11188	29.7
323.12930	3.0
335.12888	15.2
339.12469	2.3
347.12885	8.1
375.09946	2.2
377.11728	2.8
379.09073	1.8
417.11069	2.4
423.12064	2.4
425.13962	3.0
431.14606	2.3
433.16165	2.9
437.13818	2.4
443.13101	1.8
445.16693	9.2
449.13727	2.2
457.16467	6.7
463.15384	2.6
469.16299	8.1
471.18201	2.6
481.16284	4.4
482.17346	2.6
483.18420	2.7
487.17435	4.7
495.17697	4.0
499.17419	3.0
587.20740	3.0
599.19946	3.2
599.50226	2.6
607.23340	3.4
619.23083	9.1
631.22974	7.1
649.24500	2.8
679.26208	1.9
697.25757	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	696.5401
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	0.9
55.01856	0.3
55.05508	6.0
56.05033	3.4
57.03434	0.2
57.06835	0.2
57.07071	2.8
58.06580	0.8
60.04517	1.9
61.02900	0.6
65.03942	0.5
67.04221	0.5
67.05500	11.1
68.05009	0.9
69.03431	1.9
69.07065	7.4
70.06593	2.0
71.04992	0.3
71.05376	0.4
71.08617	1.3
72.04475	0.3
73.02898	0.3
76.03961	0.2
79.05486	8.7
80.05009	2.9
80.05771	0.2
81.03410	1.3
81.05783	1.1
81.07050	9.6
82.06576	6.2
83.04960	0.2
83.08617	4.7
84.08125	0.4
85.02898	3.7
85.10171	0.7
86.06036	0.2
87.04433	0.3
91.04912	0.4
91.05473	7.7
93.05774	0.4
93.07039	9.0
94.06561	17.6
95.04952	1.3
95.07343	7.4
95.08599	7.7
96.08128	6.0
97.02876	1.6
97.06525	0.5
97.10162	2.7
99.04447	0.2
100.07584	0.3
105.06326	0.3
105.07020	5.2
107.07328	0.6
107.08589	4.6
108.08108	2.8
109.02859	0.4
109.10138	2.8
110.09647	0.5
111.11681	0.8
117.06997	0.4
118.82989	0.2
119.08571	5.9
120.08081	0.2
121.08854	0.4
121.10139	5.9
122.09646	2.0
123.11692	1.2
124.11222	0.4
127.03897	0.7
131.08539	0.2
133.10110	3.8
134.09656	0.4
135.10432	0.8
135.11668	2.6
136.11218	1.1
137.13234	0.7
145.05022	0.4
147.11694	1.2
149.13271	1.0
150.12740	0.3
151.14815	0.5
161.13240	0.9
163.14828	0.6
175.14798	0.3
189.16336	0.3
193.19508	0.4
196.20760	0.2
219.21060	0.7
220.20499	0.3
233.22629	2.6
234.22153	0.4
237.21928	0.4
237.77850	0.2
245.22646	4.7
247.24141	0.3
250.25302	6.3
254.24904	1.1
260.23785	0.4
262.25281	100.0
263.23203	0.3
263.25806	2.0
264.26819	0.9
266.24741	0.2
272.25824	4.4
278.50381	0.2
280.26334	5.4
310.27176	0.3
312.25320	0.5
314.27072	0.2
338.30579	0.2
358.88934	0.2
368.31717	0.2
442.31570	0.7
486.46405	0.2
504.47736	2.7
516.47754	19.7
517.48083	0.6
518.49304	6.6
519.49377	0.3
534.48737	4.4
535.48413	0.4
599.50397	0.4
672.64136	0.2
696.54047	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	696.4158
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.6
55.01849	0.7
55.05508	12.8
55.56123	0.7
57.03435	5.4
57.07066	8.6
57.35014	0.8
60.99942	0.8
61.02922	23.3
61.37464	0.7
63.99567	0.8
65.03935	1.5
67.05499	63.2
69.03413	3.4
69.07066	19.3
69.63026	6.8
71.04972	1.9
71.08617	4.6
73.02913	9.7
74.53703	0.8
79.05485	17.2
81.03376	2.2
81.07047	79.3
81.49030	0.9
82.07386	0.8
82.16502	0.7
83.04996	1.3
83.08615	16.6
83.60401	0.8
85.02898	32.1
85.06520	2.1
85.10165	3.6
91.03947	28.5
91.05468	13.4
93.07035	21.1
95.04954	1.3
95.08598	65.6
97.02879	13.4
97.06530	6.0
97.10165	10.7
99.04453	2.0
99.08075	3.3
99.61766	0.8
105.07030	9.0
107.08586	15.8
109.10150	36.1
110.20947	0.8
111.08075	3.6
111.11694	2.6
113.09618	2.4
113.90113	1.0
115.03912	2.1
119.08566	11.4
121.10130	19.6
123.08064	1.3
123.11702	18.3
125.09631	1.2
125.13266	1.7
127.03906	10.4
127.11211	1.1
131.08635	1.0
131.38029	0.9
133.10118	13.8
135.11668	12.7
137.09598	1.1
137.13235	6.2
137.39963	0.9
139.11139	1.6
141.12744	4.4
145.04942	16.0
147.11652	10.4
149.13246	11.5
151.11148	1.2
151.14815	6.7
155.14319	2.6
161.13251	13.6
163.05994	21.3
163.14807	9.8
165.16383	10.5
167.14325	1.4
169.12202	0.9
175.14819	10.7
177.16357	1.8
179.14256	1.7
179.17934	9.4
181.15881	2.3
181.25644	0.8
189.16389	5.4
193.15846	2.0
207.17389	0.9
217.19463	1.8
245.22620	70.0
246.22981	1.7
247.24080	1.0
263.23685	100.0
264.24005	2.7
265.25266	2.1
281.24783	2.3
284.92343	0.8
300.13766	1.1
337.27335	46.3
355.28448	8.2
409.77136	0.9
464.83948	0.9
499.32593	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.4158
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77897	1.1
53.77755	1.1
55.05504	14.9
56.17826	1.1
57.03434	6.6
57.07070	9.3
57.53427	1.3
61.02920	23.4
65.03912	1.4
67.05499	65.6
69.03425	2.5
69.07058	26.3
69.96097	2.7
69.96509	3.7
71.04980	1.7
71.08611	7.6
72.08129	2.0
73.02901	9.9
75.04498	1.3
75.07737	1.5
79.05486	17.1
81.03387	1.6
81.07048	81.5
83.08605	19.9
85.02898	26.6
85.06516	2.8
85.10164	2.1
91.03950	25.4
91.05470	14.4
93.07034	22.2
95.05006	1.4
95.08598	73.6
97.02885	11.8
97.06522	8.0
97.10155	8.3
98.20663	1.5
99.04450	1.5
99.08080	4.7
105.07009	11.7
107.08585	15.5
109.02870	1.4
109.10148	37.0
111.08086	2.7
111.11703	3.5
113.09654	1.8
115.03909	1.6
119.08557	13.6
121.10139	21.9
123.11704	20.3
125.09678	2.0
127.03902	9.1
127.11176	2.1
133.10132	13.9
133.89578	1.2
135.11684	14.1
137.09637	2.9
137.13210	6.6
141.12715	3.8
145.04945	12.5
147.11688	11.2
149.13228	11.9
151.14830	6.5
155.14294	4.2
159.11621	1.4
161.13248	14.9
163.06004	20.2
163.14807	10.0
165.16386	9.2
167.14380	2.3
175.14790	9.5
177.16318	2.0
179.14302	2.2
179.17914	8.9
181.15768	1.9
189.16425	5.4
203.17923	2.2
217.19398	1.8
245.20703	0.9
245.22633	70.3
263.23682	100.0
264.24042	2.0
265.25125	2.2
281.24802	1.6
337.27325	69.8
355.28421	11.7
499.32700	5.6
696.45764	1.7
722.37323	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.434
Annotation	Unknow
Peak:m/z	Relative Intensity
53.22238	1.6
55.05512	2.4
57.10627	1.5
64.00279	1.3
67.05489	3.7
71.72901	3.0
71.73291	1.7
75.34117	1.5
79.05492	2.4
81.07064	5.2
84.88269	1.3
91.05474	1.4
93.07039	2.4
95.08633	4.6
105.07058	1.8
107.08566	1.9
114.33744	1.6
121.18563	1.4
183.36070	1.7
245.03598	1.7
265.95609	1.9
416.96811	2.0
695.43433	100.0
696.43689	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.2916
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	0.6
55.05496	0.7
59.04963	0.8
64.49136	0.5
65.03938	1.1
67.05488	3.2
69.03418	1.4
70.06587	2.7
71.04964	0.6
71.73634	0.8
72.08112	0.5
79.05466	1.0
80.04987	1.2
81.03406	0.5
81.07027	1.9
82.06583	0.8
82.42934	0.6
84.08121	1.6
85.02883	1.7
86.09693	1.0
91.05459	2.4
93.05762	2.2
93.07025	2.2
94.06557	5.1
95.04951	2.0
95.07324	1.1
95.08598	1.4
96.08126	4.7
97.02877	0.6
103.05441	0.6
105.07013	1.7
106.06485	1.2
107.07328	3.1
107.08554	2.9
107.97786	0.5
108.04456	0.6
108.08099	19.0
109.06519	1.0
109.10133	0.7
110.09665	2.6
117.06982	1.1
118.06490	0.8
119.08583	0.8
120.08100	3.8
120.43034	0.5
121.05211	0.7
121.08871	1.5
122.05247	0.6
122.05993	3.4
122.08965	0.4
122.09650	20.5
124.11214	35.7
131.04977	0.6
131.08572	0.8
132.08070	1.6
133.06538	0.9
133.07585	0.7
133.08804	0.7
133.10127	0.7
134.05939	0.6
134.09666	2.8
135.06825	1.3
135.08025	0.6
135.10425	1.2
136.07558	100.0
136.11185	16.3
137.05989	0.7
137.07918	1.6
138.09120	1.2
143.08530	0.6
144.08064	1.6
145.07602	0.7
146.06013	0.8
146.09618	1.3
147.04364	0.7
147.06812	0.6
148.07561	2.6
148.11227	1.6
149.09618	0.7
150.05531	0.7
150.09123	1.8
152.07057	2.8
152.10651	0.9
158.09683	0.8
159.09164	2.3
160.07576	1.8
160.11169	1.0
161.10703	0.7
162.05527	1.7
162.09023	1.1
162.12764	1.0
164.07043	63.8
164.10663	3.1
165.07420	1.1
165.11371	0.7
166.08540	0.8
166.12260	14.9
167.07016	1.9
170.05951	0.7
170.09598	0.6
174.09039	1.2
175.08691	1.0
175.09998	0.7
176.10661	1.3
178.12250	7.2
180.06451	0.6
185.07082	0.7
185.10684	0.8
187.05035	2.2
187.08653	4.6
188.07133	1.3
188.10739	0.6
189.06528	2.9
189.10162	0.7
190.08658	0.6
190.12257	1.6
192.12561	1.5
193.13347	2.4
195.10445	0.8
197.07149	0.7
199.05057	0.6
199.12317	1.0
201.06601	2.3
201.10252	1.5
203.08188	1.1
205.13448	1.0
211.08559	0.5
211.12204	1.0
212.12949	0.7
213.13893	1.6
215.04507	1.7
215.08107	8.2
215.11626	0.8
217.06116	3.0
217.09673	1.2
225.06555	0.7
225.10254	1.5
225.13875	0.7
226.10881	0.7
226.14552	0.7
227.08170	1.0
227.11844	1.2
229.06067	3.2
229.09650	2.7
230.06824	3.8
231.07576	3.8
231.11192	1.0
233.05557	0.6
233.09193	1.1
239.08098	0.9
239.11725	2.6
239.15398	1.3
240.12579	2.1
241.09825	0.8
241.13342	4.1
241.17038	0.9
242.14043	1.3
243.04070	0.8
243.07635	10.5
244.08261	1.1
245.09152	2.8
247.07202	0.8
247.10464	0.6
249.14070	0.6
251.11829	0.7
253.13374	2.6
254.14038	1.3
255.07449	1.0
255.14809	1.6
256.15689	0.8
257.05634	1.2
257.09204	7.6
257.16446	2.1
258.06805	0.7
259.07135	3.7
259.10611	1.1
261.08740	1.9
265.13327	0.9
267.14932	2.3
269.09216	1.3
269.13336	0.9
269.16476	5.0
271.07138	5.6
271.10114	1.1
271.14401	1.8
272.07880	2.1
273.08661	11.8
273.15900	14.3
275.06714	1.1
275.10172	1.8
277.13300	2.1
279.09760	0.8
279.14728	0.7
281.12820	0.7
285.08655	10.3
285.15897	12.2
286.09152	0.8
287.05533	1.0
287.06790	0.7
287.10309	7.3
287.17520	18.1
287.20731	1.1
289.08170	8.9
293.16266	0.8
297.15970	1.2
299.06580	2.6
299.10013	1.1
301.11688	0.8
303.06482	0.9
303.09705	25.0
309.15897	0.8
311.17480	2.6
313.08228	5.2
313.11618	1.2
315.09650	9.4
317.07684	2.3
317.11142	0.8
321.15845	1.3
329.18555	5.6
331.09146	5.5
335.08792	0.8
337.10291	0.9
338.18631	0.7
339.12299	1.7
339.16995	25.6
340.17419	1.1
341.07681	4.8
341.18542	1.5
345.10709	5.0
349.10226	7.3
354.18103	2.0
355.18973	1.5
356.19455	2.8
359.08792	4.2
363.11813	13.3
364.11914	0.6
373.10178	1.6
373.14264	0.8
377.09732	7.0
391.11273	13.3
393.12936	1.9
402.62811	0.6
405.12726	6.3
405.16736	0.6
436.18744	0.6
440.18195	0.7
464.18210	0.9
482.19180	6.6
483.19522	0.7
494.19247	6.2
496.20810	4.6
497.21106	0.8
500.20004	0.7
514.21832	16.9
514.28937	0.6
515.21802	0.7
526.21924	5.6
544.82745	0.6
601.26520	1.0
603.24591	1.0
627.24152	3.8
641.25977	0.8
645.25494	8.9
659.27252	4.8
677.27942	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	695.2914
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89558	0.7
53.11044	0.7
54.38247	0.7
55.01842	1.7
55.05490	1.1
55.21104	0.8
57.02096	0.9
57.03421	2.1
61.02907	1.1
65.03931	1.1
67.05488	1.8
68.05004	0.9
69.03410	2.8
69.07050	2.0
70.00303	1.5
70.00711	3.9
70.06586	11.5
70.38449	0.8
72.08128	2.8
73.02923	4.4
79.05491	2.0
80.04973	0.9
81.03415	1.4
81.07034	2.5
83.04982	0.9
84.04498	1.0
84.08133	4.4
85.02894	3.5
86.09689	4.3
87.11477	0.8
91.05454	2.8
93.07028	2.1
94.06560	3.1
95.04951	2.5
95.07357	1.2
95.08584	1.0
96.08110	1.7
97.02861	2.6
97.06535	0.9
99.04440	1.2
103.03926	1.3
103.05483	1.8
105.06991	2.0
106.06559	5.3
107.07371	0.9
107.08550	1.2
108.04466	3.7
108.08113	6.3
109.02854	1.0
109.06502	1.1
110.06054	1.1
110.09666	2.8
116.07083	1.7
119.04960	0.9
119.08593	1.5
119.42032	0.8
120.04446	1.6
120.08101	4.6
122.06031	3.7
124.07571	2.2
127.03928	1.1
127.08686	1.1
129.10214	3.7
131.04930	1.2
131.08446	0.9
133.10127	1.9
134.05983	1.6
135.11671	1.1
136.07567	12.3
137.05943	3.0
138.05492	1.8
138.09094	4.5
140.07028	2.1
146.06017	4.5
148.07532	9.8
150.05504	1.8
152.07019	1.2
161.05962	1.2
162.05486	2.5
164.07047	2.9
166.04968	1.3
166.08623	30.4
167.07065	2.1
168.06577	4.5
172.03883	1.4
174.05502	2.7
178.04967	3.9
182.08282	1.1
188.03386	2.2
188.09448	1.2
192.06528	1.0
193.08575	1.0
196.06091	1.1
196.11340	1.5
197.10796	1.4
198.07741	1.4
199.08670	4.5
199.12166	1.5
200.07198	1.1
204.06592	1.9
206.08167	2.9
210.07593	1.4
210.09396	0.9
211.08643	12.5
211.12270	3.4
212.09213	5.1
213.10217	7.3
214.10948	1.6
215.11835	0.9
221.10722	2.3
222.09148	2.5
223.08614	2.1
223.12251	2.1
224.10715	3.1
225.06691	1.5
225.10191	15.0
226.07297	2.5
226.10951	3.7
227.08186	6.1
227.11717	5.6
228.08682	1.2
229.09782	1.1
236.09523	0.9
237.10292	2.8
238.10889	1.5
239.08206	4.3
239.11783	19.1
240.08865	3.6
240.12448	2.3
241.09752	10.9
241.13345	7.9
242.10413	5.6
243.07458	0.9
243.11215	2.4
245.12825	1.8
249.10368	2.3
250.08647	1.7
251.08026	3.1
251.11792	2.4
252.08652	5.2
253.09721	13.9
254.10423	3.4
255.06660	1.9
255.11275	9.3
256.11966	1.3
257.10336	1.2
257.12735	5.3
258.13684	0.9
259.10919	1.1
259.14429	1.9
265.09845	4.7
266.10397	1.6
267.06729	3.6
267.11261	29.5
268.08182	1.5
268.11923	2.6
269.09241	3.0
269.12814	10.4
271.10678	2.4
272.11536	1.3
273.12311	5.7
274.13031	1.3
275.13855	1.8
277.09625	1.2
279.11215	3.3
280.08487	1.5
281.09250	5.8
281.95511	0.9
283.10696	3.6
283.61060	0.9
284.11459	1.8
285.09100	1.4
285.12234	10.6
286.09784	1.2
286.13052	1.7
287.13837	9.2
293.09067	2.9
295.10739	15.1
296.11295	2.7
297.07535	3.1
297.12305	26.0
298.13156	1.7
299.05664	1.3
299.10327	4.7
299.13474	0.9
300.96655	0.9
301.11798	2.3
303.13284	4.7
305.09366	1.0
305.15097	4.2
307.10281	1.2
309.12140	1.3
313.11792	80.2
314.12335	6.8
315.13120	4.8
321.07501	1.5
323.10150	9.6
324.10754	2.4
325.11740	2.3
327.13321	1.3
329.06555	2.5
331.12918	3.0
341.11288	67.9
342.11963	12.2
343.12936	1.9
351.08408	1.4
355.12939	3.3
359.12296	10.2
363.08743	1.4
369.14365	0.9
373.13916	100.0
374.14383	4.6
382.11124	1.0
397.09000	1.3
399.10779	1.6
404.15787	1.4
417.11572	3.8
464.17850	3.0
478.19794	0.9
506.19061	2.6
538.21545	3.1
572.22742	1.0
583.25201	4.5
585.22870	2.0
599.25037	4.2
601.26501	11.4
617.25745	4.9
627.24414	19.8
645.25470	39.7
646.26233	2.1
659.27136	10.7
663.27136	4.1
677.28174	17.5
695.29523	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.2912
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.4
57.51481	0.3
60.88332	0.3
61.00078	0.2
67.05486	0.3
67.68142	0.3
69.03413	0.3
69.07039	0.5
69.93575	1.0
69.93983	0.6
70.06576	0.6
85.02876	0.3
91.05431	0.3
94.06539	0.4
95.04956	0.6
98.21413	0.6
105.06948	0.3
108.04478	2.9
108.08080	0.4
109.10109	0.3
120.04456	0.4
122.05988	1.1
136.07549	1.2
138.05493	0.5
140.07037	1.2
146.06026	1.7
148.03928	0.4
148.07562	0.9
150.05435	0.6
164.06964	0.3
166.04971	1.1
167.07224	0.4
168.06554	4.2
168.07936	0.6
170.09476	0.3
172.03969	0.4
174.05457	1.1
194.09560	0.4
196.11328	0.6
197.10683	0.4
198.09247	0.3
199.08620	1.4
204.06532	0.7
206.08090	1.4
209.08325	0.4
209.10754	0.3
210.07634	0.3
210.09438	0.4
210.11398	0.3
211.08636	5.5
211.12248	1.0
212.09239	1.4
213.10187	1.9
213.14101	0.3
214.10866	0.5
221.10675	1.2
222.09169	1.6
223.08679	0.9
223.12227	0.5
224.07285	0.3
224.10963	1.9
225.10164	5.9
226.07228	0.5
226.10832	1.3
227.08124	1.6
227.11714	0.7
228.08759	0.4
237.10161	0.7
238.08478	0.4
238.10895	0.3
239.08096	1.1
239.11760	10.2
240.08777	1.5
240.12407	1.0
241.09648	2.4
241.13377	1.1
242.10477	1.1
249.10217	1.0
250.08690	1.4
251.08130	1.1
251.11713	0.7
252.09073	1.8
253.09686	5.6
254.10416	1.2
255.11243	1.0
256.11996	0.4
257.12823	1.0
267.08185	0.6
267.11255	13.2
268.09265	0.4
268.11920	0.8
269.09308	0.3
269.12817	2.1
278.08035	0.5
280.08710	0.3
281.09103	1.0
283.10699	0.7
284.11569	0.5
285.09082	0.5
285.12338	1.8
287.13852	0.4
295.10715	6.3
296.08792	0.4
297.12103	1.7
305.14893	1.0
313.11780	38.3
314.12222	2.2
315.13263	0.9
323.10297	1.8
327.13364	0.3
329.06461	0.5
341.11261	18.5
342.12021	2.5
355.12766	1.8
359.12329	4.5
373.13889	100.0
374.14185	5.7
375.15665	0.4
496.37839	0.3
538.21216	0.3
627.24011	1.1
641.26068	0.4
645.25311	1.1
659.27332	2.3
663.26434	0.4
677.28131	1.2
695.28436	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.2921
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21981	0.2
53.11778	0.2
55.01855	0.5
67.05477	0.3
69.07053	0.5
70.06574	0.3
71.02058	0.6
86.09678	0.2
91.05450	0.3
94.06563	0.3
95.04960	0.4
108.04487	1.6
112.07591	0.3
119.04984	0.2
120.08067	0.3
122.05975	0.7
136.07561	0.7
138.05464	0.9
140.07071	1.1
146.05972	1.4
147.06714	0.2
148.03929	0.5
148.07587	1.0
150.05437	0.6
161.06058	0.2
164.06993	0.2
166.04959	0.7
168.06563	3.5
168.07925	0.4
171.05609	0.2
172.03867	0.2
174.05493	0.8
185.10703	0.2
188.28604	0.2
196.11308	0.3
197.10710	0.3
198.09245	0.4
198.11511	0.2
199.08617	0.9
204.06635	0.5
206.08156	1.1
210.07788	0.5
211.08653	4.3
211.12076	1.1
212.09294	1.3
213.10254	1.1
221.10782	1.0
222.09113	1.5
223.08678	0.7
223.12212	0.5
223.98190	0.2
224.11000	1.8
225.06781	0.2
225.10191	4.7
226.08873	0.3
226.10942	0.8
227.08080	1.0
227.11734	0.6
237.10204	0.3
238.10942	0.5
239.07980	0.8
239.11768	8.5
240.08688	1.0
240.12375	1.0
241.09708	2.1
241.13277	1.2
242.10413	0.5
249.10216	0.7
250.08528	1.1
251.08174	0.8
251.11885	0.4
252.09041	1.5
253.09695	4.9
254.10362	0.8
255.11220	0.9
256.11978	0.5
257.09122	0.4
257.12811	0.9
259.14279	0.3
266.10489	0.2
267.11261	12.6
268.09402	0.3
268.11884	0.6
269.09668	0.3
269.12839	1.7
277.09702	0.3
278.08313	0.6
279.11191	0.3
280.08344	0.6
281.09213	0.7
284.11374	0.5
285.12286	1.6
287.13632	0.4
295.10748	6.0
296.11316	0.3
297.12360	1.1
298.10751	0.3
299.10294	0.3
301.11691	0.7
306.07681	0.2
313.11798	40.4
314.12183	2.5
315.13309	0.8
323.10291	1.6
327.13187	0.5
341.11292	12.8
342.11832	1.0
353.11166	0.3
355.12924	1.7
359.12363	3.2
373.13910	100.0
374.14227	5.9
627.24158	0.3
645.25159	0.6
659.27374	1.3
677.28137	0.3
677.50238	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.4005
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60154	2.0
53.03937	3.0
53.46304	1.9
53.67380	2.0
55.05508	12.4
57.03417	9.1
57.07059	2.9
61.02921	36.3
63.79342	1.9
65.03937	2.7
67.05499	61.1
69.03423	7.1
69.07051	13.6
70.53899	2.0
70.78419	6.1
71.04984	2.7
71.86743	2.1
73.02898	15.0
76.03481	1.8
79.05489	45.8
81.03401	7.5
81.07048	73.4
83.04979	3.6
83.08602	8.6
84.54607	2.0
85.02899	43.7
85.06529	2.2
90.82896	1.8
91.03947	33.0
91.05476	24.5
93.05515	3.2
93.07036	52.9
95.04969	4.1
95.08599	50.8
97.02892	24.0
97.06511	3.2
97.10136	5.9
99.08041	2.3
101.02303	2.1
105.04492	2.4
105.07016	19.2
107.08583	31.6
109.06494	2.3
109.10140	31.7
110.20118	1.9
115.03876	2.5
117.07013	9.7
119.08574	18.3
121.10134	37.9
123.08057	2.5
123.11697	15.2
125.09626	2.2
127.03918	15.6
131.08574	21.1
133.10120	16.9
135.11687	28.2
137.13199	7.0
139.11214	2.4
145.04971	17.8
145.10117	17.3
147.11693	11.5
149.13248	23.7
157.10152	3.1
159.11691	13.4
161.13202	10.9
163.05992	30.8
163.11179	3.4
163.14847	15.6
173.13242	15.3
175.14749	3.8
177.16380	5.0
179.14261	2.8
185.13214	2.7
187.14781	8.2
191.14375	2.8
201.16278	3.4
205.15837	3.9
215.18016	2.6
243.21065	32.9
261.22125	100.0
277.21744	2.1
279.23145	3.3
335.25797	14.9
341.25024	2.5
353.26871	49.8
369.24014	4.8
387.25232	4.7
405.26187	9.2
458.76239	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	694.3998
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56953	0.8
53.03931	2.8
55.05505	11.4
57.03434	6.6
57.07059	2.2
61.02922	22.3
65.03933	1.5
67.05497	59.6
69.03416	3.8
69.07062	11.1
70.10456	5.0
70.10870	1.4
71.04984	2.5
71.08620	1.5
73.02570	1.0
73.02910	8.8
75.04459	1.4
79.05483	30.5
81.03413	2.1
81.07047	73.2
83.04981	1.0
83.08610	7.1
85.02895	27.3
85.06516	2.5
91.03948	21.2
91.05472	17.8
93.07034	44.9
95.04941	3.5
95.08594	60.3
97.02876	14.8
97.06492	2.8
97.10165	3.7
98.20786	1.8
99.08086	3.3
105.07015	12.9
107.08578	30.0
109.06506	1.6
109.10141	28.7
111.08028	1.0
113.09625	1.4
115.03880	1.2
117.06999	6.8
119.08561	13.8
121.10133	29.1
121.41366	0.9
123.11696	16.1
125.09609	2.3
127.03910	8.5
131.08553	17.9
133.10120	13.3
135.11690	23.8
137.09592	1.5
137.13193	5.7
139.11166	1.9
145.04935	11.6
145.10109	12.7
147.11681	10.2
149.13240	19.6
151.11115	2.2
151.14819	2.0
159.11684	13.8
161.13248	10.6
161.24867	0.9
163.05983	14.8
163.11115	1.1
163.14795	13.1
165.12762	3.2
173.13251	16.1
175.14798	3.4
177.12808	1.1
177.16347	4.7
178.50943	1.1
179.14291	3.8
187.14827	7.5
191.14296	1.8
200.66862	1.0
201.16316	2.6
205.15964	2.0
233.22560	3.9
243.21059	32.9
261.22122	100.0
262.22491	2.6
263.23700	2.2
279.23163	5.8
297.20670	1.5
335.25766	30.7
353.26810	48.2
497.31027	5.7
618.61603	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.4002
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.4
55.05501	9.4
55.20660	0.8
57.03428	4.1
57.07064	2.2
61.02920	27.9
61.43939	0.8
65.03931	1.7
67.05498	55.0
69.03424	4.2
69.07060	11.7
70.46196	3.1
71.04987	2.5
71.08636	0.9
73.02901	9.5
74.79569	0.7
75.04458	1.4
79.05486	32.2
81.03429	1.5
81.07047	61.6
83.04981	1.2
83.08609	5.6
85.02897	32.5
85.06540	1.6
91.03946	25.9
91.05470	17.2
93.07032	48.6
95.04964	3.1
95.08595	52.0
97.02885	12.4
97.06549	2.6
97.10168	3.8
98.20965	2.0
99.04461	1.7
99.08083	2.7
105.07018	16.3
107.08580	34.3
109.02884	1.1
109.06505	0.9
109.10142	30.3
109.10867	1.9
111.11707	0.9
111.16848	0.8
113.09650	1.2
115.03983	2.0
117.06994	5.9
119.08569	12.0
121.10136	30.4
123.08115	1.4
123.11693	15.1
125.09614	1.3
127.03883	10.4
127.11156	1.1
131.08556	19.1
133.10110	13.1
135.11673	25.5
137.09613	1.3
137.13258	6.3
139.11198	1.4
145.04936	12.8
145.10115	13.6
147.11658	11.9
149.13239	20.0
151.11186	2.7
151.14813	1.9
153.12660	1.6
159.11671	13.2
161.13249	10.4
163.06001	19.7
163.11211	1.2
163.14792	15.9
165.12778	2.4
173.13240	14.2
175.14833	3.8
177.12791	1.8
177.16367	5.9
179.14310	1.9
187.14796	7.7
189.16318	1.1
191.14278	1.7
201.16321	3.1
205.15868	2.9
215.17920	1.3
219.17357	1.9
233.22661	4.4
243.21059	34.7
261.22116	100.0
262.22250	1.4
263.23779	1.5
279.23233	2.3
335.25751	18.4
337.19073	1.0
353.26843	47.6
354.27252	1.3
497.31055	1.7
501.15277	0.9
654.53113	1.2
681.81824	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.4002
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99768	3.2
53.03933	9.0
55.01854	11.7
55.05504	32.7
57.03429	40.7
57.07087	5.5
61.02917	53.2
62.59232	3.3
65.03931	6.8
67.05498	90.4
69.03428	32.2
69.07057	31.1
69.70215	3.2
70.05988	17.8
71.04967	10.4
73.02905	24.0
75.04467	21.9
79.05486	81.9
80.21909	3.0
81.03411	40.7
81.07050	100.0
83.04977	12.8
83.08597	17.8
85.02896	77.5
85.06541	8.1
87.04459	4.2
91.03943	60.6
91.05470	64.1
93.05512	80.2
93.07034	93.1
95.04967	16.0
95.08592	78.5
97.02878	35.8
97.06498	10.3
97.10143	8.8
99.04433	11.8
103.03908	4.7
105.07028	58.0
107.04940	10.8
107.08586	57.9
109.02856	8.5
109.06489	10.4
109.10160	40.0
111.04408	15.5
111.08033	4.8
117.07000	36.5
119.08567	53.7
121.06495	10.0
121.10136	41.9
123.04403	6.3
123.08018	8.2
123.11706	15.6
125.09632	6.5
127.03914	28.2
128.06177	4.8
129.05431	7.0
129.06975	12.8
131.04921	4.3
131.08553	50.2
133.06465	9.1
133.10126	37.2
135.08008	11.4
135.11674	34.3
137.09579	8.2
137.13245	5.0
139.11140	4.2
141.06966	12.6
143.08525	23.5
145.04973	39.4
145.06198	6.0
145.10100	42.8
147.08026	11.6
147.11671	28.5
149.09587	4.9
149.13231	23.2
151.07497	5.2
155.08516	10.7
157.06494	4.3
157.10144	16.2
159.08098	4.0
159.11642	31.2
161.09525	6.0
161.13190	18.1
163.06010	58.0
163.11200	7.1
163.14796	5.3
169.10025	9.2
171.11662	13.2
173.13205	19.8
175.11168	6.4
175.14799	5.9
177.12675	6.8
179.10634	4.1
179.14246	3.8
181.10115	5.0
183.11696	10.4
185.13245	9.5
187.11174	7.8
187.14796	15.4
189.12717	8.9
193.12344	3.7
197.09633	3.9
197.13269	5.6
199.14740	10.1
201.12752	5.3
201.16266	4.9
203.14224	4.9
209.13359	4.0
213.12943	4.5
215.14371	4.2
217.12218	4.4
229.14326	4.3
233.15460	5.7
243.20970	6.1
247.16891	3.4
249.14857	5.1
255.10698	11.2
259.20563	10.7
261.22128	22.6
269.10562	4.1
271.20483	4.6
273.22086	5.7
275.19992	4.3
277.14355	7.8
277.21478	13.3
283.20648	5.2
285.21997	7.4
289.21518	8.2
291.23212	6.4
295.15411	4.2
301.21573	9.0
303.23108	18.5
313.21518	4.2
315.23117	10.2
319.22641	6.5
323.23492	4.7
327.22992	10.1
331.22665	5.2
333.22012	3.9
341.24603	8.1
345.24249	4.3
351.19122	3.7
351.23187	20.6
369.19754	6.8
369.24179	56.9
387.25238	59.7
405.26285	78.5
423.27399	34.6
448.18570	7.7
573.89996	3.7
634.24121	28.4
672.96002	3.8
694.38452	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	693.3263
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.7
54.05614	0.3
55.01860	0.4
55.05486	1.2
56.62693	0.4
67.05506	3.9
68.99791	0.7
69.03416	0.7
69.07024	0.6
69.99502	2.3
71.04961	0.5
71.35351	0.4
79.05489	3.5
81.03392	1.9
81.03848	0.4
81.07045	3.1
85.02882	1.4
91.05470	3.6
93.03372	0.4
93.07038	2.9
95.04937	1.0
95.08607	2.3
100.59425	0.4
105.06988	1.4
107.08569	1.4
109.02830	2.1
109.10115	0.9
118.63144	0.5
119.04926	3.3
119.08613	0.6
121.02855	7.2
121.10130	1.2
127.03913	0.5
131.04874	0.8
131.08571	0.6
135.11650	0.7
141.01788	1.0
145.02815	3.3
147.04395	0.7
149.02313	1.8
153.01778	0.8
163.03912	4.4
165.01808	5.2
167.03387	5.4
171.04381	0.5
177.01848	2.1
177.05441	0.8
181.04910	1.4
181.06372	0.6
183.02870	4.0
187.03903	2.2
191.03372	1.2
195.02951	3.1
199.03934	0.5
205.04939	2.0
215.03391	1.0
229.04935	1.6
233.04419	1.1
239.07062	1.8
242.05753	0.7
243.02869	0.8
255.06551	1.0
256.07248	0.6
261.03946	1.4
267.06516	13.1
270.05124	4.6
271.06000	13.9
273.03964	1.0
277.08447	0.5
279.06677	2.3
280.07138	0.6
281.08075	9.7
283.05988	53.5
284.06720	11.7
284.09882	0.7
285.07394	1.1
289.08353	0.5
293.08160	0.6
294.05463	0.6
295.05997	22.0
295.09634	5.5
297.03922	1.1
297.07571	2.7
305.08032	4.3
307.06015	3.8
308.06726	4.3
309.07547	24.7
310.07843	0.6
311.05554	1.3
313.07037	100.0
314.07394	3.4
319.05917	1.0
321.07565	0.9
323.05609	0.8
323.09103	18.4
325.06985	0.7
333.07520	7.7
334.08041	0.6
335.05408	1.6
337.07034	34.2
338.07605	1.0
349.07016	1.4
351.08591	3.5
361.07034	11.0
363.08682	2.3
367.08127	2.1
379.08096	78.0
380.08463	1.8
397.09149	7.5
415.10172	5.5
639.29749	0.5
657.30402	6.4
675.31720	7.6
676.31317	0.5
693.33856	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.2761
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	3.7
55.05521	1.8
57.03439	1.7
59.04991	1.9
67.05482	6.4
69.03414	4.5
69.07071	2.0
70.06568	6.0
71.04990	3.3
72.08113	3.0
76.02231	2.2
79.05482	6.0
80.05024	2.6
81.03400	3.4
81.07035	6.7
82.06580	2.3
84.04463	2.6
84.08122	3.0
85.02890	4.9
86.09679	2.2
89.05983	1.9
91.05476	4.3
93.07021	6.6
94.06556	25.2
95.04949	2.6
95.08594	5.4
96.08109	7.2
97.02841	2.0
97.06480	2.3
105.07022	6.4
106.06524	4.3
107.07339	3.3
107.08589	2.5
108.08112	13.5
109.02866	2.9
109.10165	3.2
110.09698	3.1
111.22307	1.9
118.06529	3.1
119.08537	3.7
120.08069	13.9
121.08864	2.0
121.10149	2.6
122.06025	17.5
122.09660	15.1
123.08041	5.3
124.07545	5.4
124.11215	18.6
127.03852	2.6
130.06522	2.3
131.04932	1.7
132.04417	2.2
132.08112	2.5
133.06454	2.1
133.10089	2.2
134.06012	7.3
134.09618	7.0
135.10429	4.9
135.11697	2.2
136.07564	22.8
136.11195	37.5
137.05943	3.2
138.09206	2.0
140.10718	6.9
141.09113	2.3
144.08060	4.5
145.07629	2.6
146.09641	3.1
148.07576	1.8
150.05473	2.7
151.07506	3.3
152.07010	3.2
158.05992	6.0
159.09180	5.4
160.07561	4.7
162.05464	20.9
164.07056	3.9
164.10661	3.2
166.12302	4.4
167.07079	4.6
171.05447	2.5
172.07610	2.3
173.07201	2.9
176.10655	2.5
180.06569	10.5
183.09169	3.5
184.09894	5.4
185.07033	2.3
185.10791	2.1
187.05032	5.2
187.08655	9.7
189.06564	5.8
197.10825	2.8
198.11429	2.8
199.08690	3.5
199.12254	9.1
201.06573	5.0
201.10260	4.0
203.08095	2.4
203.11774	2.8
206.08127	1.8
209.10794	2.9
210.11465	6.1
211.08719	8.6
211.12254	5.6
212.09335	3.8
212.13098	7.6
213.10193	5.2
213.13895	16.4
214.07414	1.8
214.14555	8.4
215.04625	4.7
215.08110	17.5
215.15399	3.2
217.06088	5.6
217.09740	2.5
218.08119	8.8
221.10754	1.9
223.12335	2.8
224.09207	3.3
224.12912	3.5
225.10248	15.0
225.13826	11.3
226.10992	7.4
227.08151	3.3
227.11731	7.4
227.15489	4.1
229.06052	7.7
229.09705	7.0
229.17023	2.6
230.06842	7.8
231.07660	7.6
231.11250	2.8
233.09134	2.7
234.11620	2.0
235.08656	2.4
236.09352	3.8
236.13033	3.7
237.10197	7.6
237.13809	5.1
238.10983	7.3
238.14607	3.3
239.08133	2.3
239.11760	34.4
239.15446	10.6
240.06306	1.9
240.12512	59.2
241.09694	6.1
241.13313	47.2
242.13969	3.6
243.04034	2.9
243.07622	19.4
243.11258	3.7
243.14944	6.9
244.08272	2.5
245.09186	4.6
249.10190	5.5
249.13910	4.5
250.10806	11.8
251.11847	10.8
252.12500	3.4
253.13342	72.0
254.14117	41.6
255.11252	8.5
255.14912	7.7
256.12003	2.8
257.05304	2.7
257.06479	2.5
257.09161	22.2
257.12976	4.8
257.16486	13.3
259.07065	10.7
259.10852	6.0
260.01599	2.1
261.08646	2.4
263.11768	4.0
264.12729	3.0
265.09930	3.2
265.13321	16.8
266.14087	4.7
267.07541	3.4
267.11240	5.5
267.14899	8.4
269.09692	4.0
269.12875	7.0
270.13596	15.5
271.07205	12.9
271.10733	5.8
271.14313	21.9
273.08615	12.4
275.10187	2.1
277.10187	2.9
277.13260	16.6
278.10620	3.2
278.13919	5.9
279.15131	2.3
281.09323	3.8
281.12787	4.7
283.10806	1.7
283.14420	7.6
284.15186	3.1
285.08762	26.2
285.12674	3.0
285.15900	56.6
287.10251	28.7
287.13495	3.6
289.08154	15.3
291.14816	6.6
293.12808	7.5
293.16306	4.1
295.14288	2.6
297.15878	5.4
299.06808	2.5
299.10333	6.4
301.11734	5.2
303.09726	53.5
303.16977	54.4
305.11560	4.1
308.15213	9.1
309.15912	5.2
311.13696	2.3
313.08075	13.2
313.11548	3.9
315.09760	15.9
317.07806	3.9
317.11227	3.8
319.14404	2.4
321.15991	8.5
322.15744	2.3
323.10025	3.5
327.16956	3.4
329.11151	3.5
331.09204	15.2
337.15353	2.8
339.13171	3.2
339.16943	6.9
341.07529	5.1
341.11292	3.6
345.10822	6.5
351.09732	5.1
354.18231	3.6
355.12927	3.0
359.08749	9.4
363.11896	15.9
369.10492	2.8
373.13956	6.6
377.09799	7.9
380.55792	2.2
383.12421	5.2
391.11349	20.1
401.13507	2.7
405.12857	3.3
409.31253	2.7
426.31985	2.5
427.32489	5.1
482.18970	7.7
514.21893	12.9
522.89227	2.1
524.19458	2.3
536.20038	3.3
555.22369	4.0
569.23901	4.4
572.22308	3.1
573.23212	4.0
581.23779	3.5
583.21759	2.7
585.23132	2.7
587.24646	3.3
597.23077	7.4
599.25128	19.9
601.22827	8.1
613.22754	14.8
615.24420	37.3
617.25751	3.5
625.22778	13.0
633.25073	5.7
639.23505	2.5
643.23846	100.0
644.24133	5.5
645.25427	13.2
657.24841	6.2
661.25256	16.1
675.26422	25.3
693.26886	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	692.3843
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	3.5
55.01861	6.7
55.05506	39.5
57.03424	18.7
57.07064	1.7
59.04981	3.8
61.02921	7.8
65.03923	2.7
67.05497	100.0
69.03413	6.0
69.07061	20.6
70.10307	4.6
71.01332	2.1
71.04996	7.4
71.69849	1.2
73.02894	5.3
79.05487	43.3
81.03413	16.9
81.07047	83.0
83.04975	11.7
83.08610	25.9
85.02894	19.3
85.06527	5.3
87.04475	5.6
87.72634	1.1
90.23631	1.3
91.03928	2.7
91.05473	29.6
93.07030	42.9
95.04957	11.7
95.08597	25.3
97.02901	9.1
97.06523	10.1
97.10156	17.2
99.08051	2.3
103.03918	1.5
105.07019	12.7
107.04922	4.5
107.07903	2.3
107.08578	28.2
109.02872	2.0
109.06496	4.4
109.10143	46.4
111.04410	2.3
111.08073	7.4
113.09612	1.2
117.06989	10.5
119.08572	10.9
121.06493	3.3
121.10110	11.8
123.08072	2.9
123.11703	2.7
125.09619	16.8
127.03880	3.1
129.05446	5.7
129.06972	2.5
131.08557	10.8
133.10123	13.2
135.08041	2.3
135.11690	10.4
137.09586	3.8
138.24178	1.1
143.10674	2.6
145.10107	4.9
147.07973	1.6
147.11652	4.0
149.09590	2.6
149.13231	13.4
151.11194	2.7
153.12733	4.4
155.10626	4.0
159.11661	7.7
163.11142	8.5
165.12752	4.3
171.11618	1.3
173.09528	1.8
173.11737	19.6
175.11156	2.1
177.12726	4.5
191.10612	2.4
193.12280	4.2
195.13777	16.8
199.13286	6.7
201.11700	1.2
209.11717	6.8
211.13217	4.3
213.14874	2.5
227.12732	9.6
229.14328	45.7
239.16338	3.4
257.13724	3.3
260.17700	1.3
267.15771	5.9
269.17447	65.6
283.15399	4.1
297.16855	4.6
301.16391	14.3
313.06985	1.4
314.07275	1.7
379.08368	1.6
380.08502	2.1
393.26395	2.2
411.27283	5.2
423.27408	30.8
424.27832	1.8
431.17041	1.4
431.27826	2.3
446.18658	5.5
447.18964	1.8
477.28314	2.5
495.29507	54.0
496.29648	4.1
513.30481	20.0
632.24237	19.4
633.23871	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	692.3845
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46450	0.7
53.03939	2.7
55.01867	6.7
55.05505	35.9
57.03425	20.6
57.07061	2.8
59.04990	4.1
61.02919	8.8
65.03930	2.9
67.05498	100.0
68.05823	1.6
69.03425	6.8
69.07058	18.2
70.27968	1.1
70.28258	4.1
71.01332	1.3
71.04983	8.2
73.02914	6.0
79.05488	37.1
79.40296	0.8
81.03413	15.8
81.07048	77.7
82.07362	1.3
83.01353	1.1
83.04971	12.0
83.08109	1.3
83.08611	23.1
85.02899	19.6
85.06541	5.1
87.04465	5.3
91.03947	3.5
91.05473	31.0
93.07032	43.0
95.04952	8.1
95.08596	23.8
97.02877	7.5
97.06527	9.9
97.10161	18.5
99.04483	1.7
99.08076	2.6
103.02312	0.8
103.03899	1.2
105.07025	11.5
106.47527	0.9
107.04333	0.7
107.04964	4.9
107.08584	28.5
109.06495	2.5
109.10147	57.4
111.04438	2.3
111.08074	6.6
115.05463	0.9
116.04713	1.1
117.06997	9.7
119.08564	12.2
120.08931	1.1
121.06492	3.6
121.10133	12.0
123.07254	0.9
123.08080	3.2
123.11701	3.9
125.05983	0.8
125.09621	16.4
127.03960	1.3
129.05472	5.5
129.06982	1.3
131.08560	9.5
133.10118	13.4
135.08078	2.5
135.11696	11.9
137.09615	3.4
143.07034	1.2
143.08485	0.8
143.10645	1.7
145.04987	1.5
145.10114	5.3
147.07986	2.1
147.11667	4.5
149.09631	2.4
149.13242	12.7
151.11108	2.3
153.12721	3.2
155.08545	1.0
155.10629	3.7
157.10176	1.4
159.11649	8.7
163.11192	8.5
165.12762	2.3
167.14323	1.2
173.09605	1.9
173.11728	17.0
175.11188	1.4
177.12721	4.0
181.12212	2.8
185.11714	1.7
191.10684	3.3
193.12187	4.0
195.13773	16.9
199.13272	8.0
209.11734	7.0
211.13274	3.0
213.14867	2.6
227.12753	8.6
229.14326	49.0
230.14684	2.3
239.16492	2.9
249.14682	1.2
255.15833	0.9
257.13824	1.0
265.14346	1.1
267.15839	7.9
269.17453	59.9
283.15430	4.6
285.16861	1.8
297.17014	1.3
301.16440	17.0
302.16901	0.9
313.07034	1.6
314.07376	1.2
357.24194	1.0
393.26266	2.2
411.27350	4.6
422.27173	1.4
423.27380	31.4
424.27631	1.6
431.27881	1.3
445.18918	1.3
446.19052	2.7
449.29202	1.4
470.18094	0.9
477.28336	2.7
495.29471	52.9
496.29861	3.0
513.30566	24.0
514.30963	1.5
544.23950	1.0
544.51648	1.0
632.24127	15.7
633.23889	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	692.384
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	22.5
57.03434	14.8
58.11209	1.5
59.04991	4.2
61.02922	4.3
62.88059	1.6
65.03917	2.0
67.05498	56.4
68.88250	1.8
69.03413	9.0
69.07065	20.3
69.30473	1.9
69.81564	12.4
71.01324	2.8
71.04983	7.5
73.02898	4.4
79.05486	41.2
81.03410	37.8
81.07047	95.3
83.04965	17.6
83.08607	21.7
85.02892	16.2
85.06523	5.0
87.04443	1.8
91.05473	33.7
92.21005	1.6
93.07036	50.6
95.04947	15.3
95.08600	30.8
97.02898	13.1
97.06521	17.1
97.10184	8.6
99.04449	6.2
99.08087	5.3
105.07021	29.3
107.04943	16.1
107.08581	31.6
109.02862	4.8
109.06506	7.0
109.10147	11.1
111.04449	6.0
111.08076	5.9
113.05959	2.6
117.07010	15.2
119.08563	22.7
121.06490	7.0
121.10130	27.0
123.08040	7.8
123.11684	19.4
125.09630	8.2
127.03899	6.5
129.05423	2.1
129.07016	5.7
131.04892	3.0
131.08572	16.7
131.71042	2.0
133.06479	2.3
133.10123	11.5
135.08058	4.7
135.11667	20.7
137.09593	4.6
143.08562	3.7
144.54083	1.8
145.06485	3.8
145.10112	16.3
147.07994	3.8
147.11665	34.7
149.05881	3.0
149.09599	4.8
149.13269	12.1
151.11218	2.1
153.09010	1.9
153.12717	8.8
155.08493	4.6
155.89473	1.9
157.10162	3.0
159.11728	6.8
163.11179	26.5
165.12730	19.1
173.09596	7.7
175.11186	4.1
177.12782	3.7
181.12227	6.2
183.11847	1.7
183.13704	2.5
191.10638	9.5
193.12303	3.4
195.13837	5.6
200.10495	1.8
209.11732	15.0
217.07381	2.0
227.12849	13.0
229.14333	10.1
233.15315	4.2
265.14368	6.7
267.15924	39.4
269.17502	22.1
283.15366	16.4
284.15411	1.7
285.16925	50.3
293.38040	1.8
301.16476	15.2
337.16467	5.5
339.17892	6.4
353.16199	2.1
355.17471	4.7
385.23773	2.0
413.21613	6.5
449.28979	2.1
459.27319	20.8
477.28467	71.6
478.28848	2.4
495.29471	100.0
496.29810	3.9
585.30573	2.1
603.31342	6.7
621.32520	28.3
633.21716	2.3
639.33710	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	692.384
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	19.2
57.03429	12.0
57.07058	2.2
59.04980	2.2
61.02923	5.4
61.72350	1.0
63.97487	0.9
65.03919	2.3
67.05495	52.8
69.03407	7.2
69.07063	17.0
70.06573	1.5
71.01329	3.7
71.04987	7.1
71.75343	1.4
73.02905	1.8
79.05486	41.4
81.03407	33.0
81.07045	75.9
82.07385	1.4
83.04968	18.1
83.08613	18.6
84.08160	1.3
85.02898	11.8
85.06527	5.3
86.09702	1.2
87.04467	1.6
91.03946	3.2
91.05466	33.3
92.05786	1.3
93.07030	45.0
95.04969	10.3
95.08594	25.9
97.02874	12.5
97.06515	13.9
97.10164	6.3
99.04447	3.8
99.08064	3.1
99.39861	1.0
103.05468	1.7
105.07014	26.1
107.04933	15.3
107.08582	28.9
109.02876	5.1
109.06508	9.8
109.10141	8.9
110.47784	0.9
111.04427	5.3
111.08080	6.5
113.06034	1.5
117.06998	12.1
119.08565	21.8
121.06486	7.2
121.10127	26.5
123.08046	6.3
123.11681	11.9
125.09588	5.7
127.03912	5.1
127.07563	1.8
129.05478	2.2
129.06979	4.9
131.08565	12.2
133.06456	1.6
133.10106	12.0
135.08035	6.4
135.11667	17.5
136.12030	1.2
137.09599	2.9
137.13293	1.6
141.06981	1.0
143.08565	2.5
145.06464	2.9
145.10088	16.1
147.08015	5.6
147.11665	31.3
149.05992	1.4
149.09593	4.4
149.13237	10.0
153.12747	9.6
155.08563	4.1
157.10164	4.2
159.08069	1.7
159.11678	7.5
161.09558	1.3
163.11159	24.9
163.12471	2.0
165.12727	11.2
171.11696	1.3
173.04469	1.7
173.09583	5.4
173.11862	1.5
173.13240	1.3
175.11174	2.6
177.12781	3.3
181.10141	1.8
181.12195	5.5
183.11566	1.2
189.11148	1.4
191.10596	6.9
193.12177	5.5
195.13762	6.1
209.11678	15.3
213.14723	1.4
219.13811	1.2
227.12711	11.4
229.14339	8.1
233.15369	1.8
265.14389	11.0
267.13602	1.3
267.15900	36.7
269.17459	20.3
283.15384	15.1
285.16931	43.9
301.16455	15.4
303.15973	1.3
321.17041	1.6
337.16437	2.3
339.18082	2.0
353.16071	2.4
355.17529	2.7
357.24341	1.5
367.22528	1.3
373.18668	1.7
377.19470	1.3
385.23709	1.3
395.20480	1.1
403.24820	1.5
413.21631	6.8
427.19574	1.6
431.27988	1.2
441.26358	1.4
445.20605	2.4
449.28964	3.0
459.27386	22.4
460.27396	1.3
477.28403	73.0
478.28802	4.9
495.29489	100.0
496.29749	3.8
567.28876	1.2
585.30902	2.9
603.31909	6.1
621.32587	29.9
622.32581	2.3
639.24023	1.7
639.33783	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	691.3868
Annotation	11-Demethylconoduramine
Peak:m/z	Relative Intensity
53.46065	0.4
55.05501	0.4
57.07073	0.4
57.46441	0.4
62.92871	0.3
67.05496	1.0
67.15755	0.3
69.03411	0.3
71.04984	0.4
71.74026	0.4
81.03410	0.8
81.07053	1.3
91.05496	0.6
93.07051	0.5
93.33008	0.3
95.08617	0.6
105.07069	0.6
121.10171	0.6
121.48078	0.4
145.10132	0.4
160.31270	0.3
160.36891	0.4
185.04260	0.8
265.14249	0.4
347.09384	1.2
417.53156	0.4
529.33435	21.0
530.33685	0.4
546.86224	0.5
665.03278	0.4
686.91650	0.5
691.38672	100.0
692.38959	2.2
722.39636	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.3281
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05476	0.5
69.88599	1.6
70.06573	0.8
72.08133	0.3
75.48266	0.2
79.05458	0.3
81.07037	0.4
84.04456	0.3
84.08105	0.5
86.09668	0.5
87.04442	0.6
90.08212	0.2
91.05467	2.5
93.04497	0.6
93.07032	0.6
97.67936	0.3
103.05462	1.7
105.06988	1.1
107.04948	1.6
111.05552	25.6
112.05852	0.3
114.66683	0.2
115.05434	0.7
117.07014	0.8
118.06499	0.3
119.04945	1.5
120.08091	34.9
121.03963	0.3
121.06512	0.5
121.08434	0.6
123.05542	0.2
128.06223	0.5
129.06960	1.5
131.04918	1.8
131.07263	0.3
131.08559	0.7
132.08070	2.3
133.06477	2.6
133.10078	0.4
135.05537	1.7
137.05966	0.7
137.07106	0.7
141.06920	0.5
142.07747	1.8
143.04895	0.4
143.08548	1.0
144.05663	0.7
145.06483	2.3
146.06099	0.6
146.07243	0.7
147.04433	0.9
147.07980	0.4
148.07544	1.5
149.05962	0.3
153.06941	0.3
155.07256	0.2
155.08540	0.3
156.05334	0.2
157.06514	1.8
157.10107	3.2
158.07216	0.4
159.08049	3.7
160.07555	4.5
160.08755	0.2
161.05968	1.3
161.09586	4.8
162.09100	5.6
163.07524	0.8
163.08678	0.3
167.08543	1.0
170.07248	4.4
171.04411	0.6
171.08005	1.4
173.09633	1.4
174.09131	2.8
174.10448	1.4
174.12669	0.2
175.11195	1.9
176.10735	0.4
177.05446	0.3
184.11232	0.3
185.09599	23.9
186.10036	0.7
187.11165	2.4
189.09090	24.2
190.08643	0.8
194.08054	0.3
200.10687	1.9
202.12248	27.5
203.10666	2.3
203.12598	1.0
204.13882	1.2
206.08133	0.5
212.10696	2.4
213.09018	2.2
214.12407	0.3
220.09698	0.2
231.10135	24.1
232.10516	0.7
248.12801	12.4
249.13358	0.3
267.14874	0.3
282.12387	1.2
295.14377	5.1
312.16998	3.1
313.15506	0.5
323.13919	1.1
325.15439	0.4
340.16525	8.4
341.14890	16.3
342.15134	0.5
358.17480	0.4
368.16104	0.9
386.17059	100.0
387.17352	4.8
440.21967	0.3
485.24194	0.8
503.24896	4.3
511.23328	0.7
529.24432	1.7
547.25586	1.3
557.23773	4.6
558.24371	0.4
575.24927	7.5
575.34106	0.4
576.25336	0.7
646.32178	0.7
674.31860	1.6
692.32983	8.0
693.33099	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.3374
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	2.7
55.01864	3.5
55.05508	10.5
57.03440	4.9
57.56855	1.2
58.87528	1.0
59.01396	0.9
59.04984	2.6
61.02921	20.5
65.03938	1.6
67.05496	20.2
69.03427	9.5
69.07057	8.2
70.06579	3.3
71.04993	2.6
72.08127	1.7
73.02908	6.7
79.05479	19.9
81.03421	4.7
81.07050	26.3
83.04980	5.2
83.08614	5.6
84.08127	1.1
85.02898	24.8
85.06531	3.4
86.09702	1.7
87.04478	1.3
91.03947	12.4
91.05474	28.8
92.05834	1.5
93.07030	21.4
93.07587	1.9
95.04971	5.5
95.08592	17.1
96.08934	1.2
97.02885	16.0
97.06525	7.9
97.10168	4.0
99.04454	2.9
99.08060	1.2
100.47916	1.0
103.03893	1.2
105.07019	23.4
106.07339	1.2
107.04938	3.3
107.08587	10.9
109.02867	3.2
109.06513	12.4
109.10118	7.0
111.08081	3.9
115.03948	1.1
115.05425	3.4
116.06184	1.7
116.10705	1.2
117.07002	17.3
117.11769	0.9
119.04894	1.2
119.08554	15.7
121.06490	7.4
121.10111	7.3
123.04450	1.9
123.08063	7.0
125.05984	2.2
125.09646	3.0
127.03896	7.1
128.04231	1.3
128.06215	6.4
129.06998	10.5
130.07774	3.4
131.04910	1.5
131.08553	31.5
133.06491	11.6
133.10114	14.2
135.08034	5.4
135.11670	3.7
137.05965	2.4
137.09621	2.9
139.07602	1.1
141.07011	4.8
142.07742	2.4
143.08549	33.8
145.04958	4.0
145.06433	2.1
145.10110	30.8
147.08043	11.8
147.11661	6.3
149.06004	1.6
149.09605	3.9
149.13210	2.2
151.07527	2.6
151.11142	3.3
155.08548	4.2
155.14268	1.9
157.10117	11.9
159.08038	4.4
159.11653	14.9
161.09616	13.0
163.07491	1.6
163.11179	1.9
165.06943	1.4
165.09084	2.6
167.07042	3.1
167.08470	2.3
169.10095	6.3
171.08107	1.6
171.11659	8.1
173.09619	4.4
173.13213	2.7
175.07486	1.3
175.11145	5.7
177.12709	10.5
181.10097	8.2
183.11652	5.1
185.09633	2.1
185.13293	4.3
187.11179	1.4
189.12816	1.8
193.12355	1.7
195.11626	9.7
199.11206	1.4
199.14867	2.3
201.12807	3.3
209.13228	1.5
213.12643	2.1
225.10428	1.0
226.10913	1.6
227.17955	4.1
237.16382	13.4
237.59920	1.1
245.18967	4.0
248.21881	1.1
255.17415	21.9
273.18454	56.0
274.18753	1.4
291.19653	2.6
329.21271	1.3
347.22131	100.0
348.22552	3.9
365.23108	15.8
417.22537	1.4
455.24146	1.2
509.26855	1.7
527.28204	5.4
689.33649	3.1
699.56885	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.3528
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	8.7
55.01871	10.9
55.05507	16.4
57.00921	1.9
57.03430	13.7
57.07074	2.1
59.04986	3.2
61.02622	2.7
61.02923	51.7
65.03925	2.1
67.05194	2.9
67.05503	39.0
69.03423	28.3
69.07058	22.5
70.06578	3.9
71.01327	3.5
71.04978	7.2
72.08131	2.3
73.02918	18.7
74.56608	2.0
79.05486	32.0
79.07037	1.9
81.03413	23.2
81.07044	79.9
83.04967	8.5
83.08615	13.4
85.02896	59.9
85.06523	5.6
87.04520	2.2
91.03945	25.5
91.05472	27.3
92.24291	1.6
93.07034	32.8
95.04958	18.8
95.08595	31.8
97.02883	48.3
97.06523	9.7
97.10162	4.4
99.04446	10.4
99.08082	2.0
101.02364	7.1
101.03117	1.6
103.03920	5.2
103.05470	2.4
105.06339	2.5
105.07014	35.9
107.04944	13.2
107.08583	21.0
109.02860	10.9
109.06516	26.2
109.10135	13.3
111.04387	3.4
111.08073	5.2
115.03911	3.3
117.07021	10.6
119.08583	25.8
121.06511	9.5
121.10147	17.2
123.04417	10.0
123.08084	10.2
123.11689	10.1
125.09627	3.1
127.03896	20.6
129.05490	2.7
129.06976	4.1
131.08559	16.8
133.06464	3.4
133.10106	17.0
135.08031	9.5
135.11702	10.1
137.09610	5.6
141.06961	2.0
143.08521	5.5
145.04938	12.2
145.06555	2.5
145.10109	14.9
147.08046	2.2
147.11662	24.7
149.09605	13.1
149.13220	8.8
151.07512	3.1
151.11139	4.1
153.05467	2.4
155.08536	2.1
157.10086	6.4
159.07993	3.2
159.11690	12.6
161.09607	5.3
161.13269	5.7
163.11194	6.6
165.09134	5.4
165.12778	5.0
169.10040	2.7
171.06487	2.7
171.11617	2.0
173.09581	3.8
173.13248	7.8
175.11137	4.0
177.12744	4.6
179.14333	3.0
183.06505	8.8
183.11713	3.6
185.09564	2.0
187.11243	1.9
187.14868	2.9
191.14259	3.4
193.12256	4.2
201.07532	3.7
201.12729	2.6
212.52649	1.8
229.19553	4.4
239.18002	4.6
241.07056	1.8
247.20517	5.8
255.57645	1.7
257.18994	13.0
265.21521	2.6
267.15872	2.6
275.20035	100.0
276.20459	2.1
291.19431	2.4
293.21106	37.0
299.20184	1.9
307.80719	1.8
341.21350	2.2
349.23740	62.4
351.25125	2.0
359.21890	3.2
367.24774	66.6
368.25262	3.3
383.21878	2.0
391.24786	6.9
401.23032	2.5
419.23639	1.9
433.25787	9.0
463.26843	4.7
475.26746	7.8
493.27881	10.6
511.29135	15.8
529.29999	4.1
691.35938	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.2946
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27120	1.0
53.80482	1.0
55.25105	1.0
55.82593	1.0
70.05433	6.5
70.06584	5.6
72.08149	2.1
79.05480	2.7
83.07047	1.0
84.04482	1.0
84.08125	3.3
86.09686	3.7
91.05470	8.0
93.36534	1.0
94.04161	2.0
95.04956	2.8
103.05450	2.4
110.19674	1.0
115.05428	2.9
119.04932	3.3
120.08093	1.8
121.06489	1.9
122.03625	6.6
123.04388	1.4
129.10223	1.0
131.04863	5.5
133.06461	1.8
135.04395	2.4
135.08081	1.4
136.07268	1.0
137.05960	70.4
138.06236	2.3
143.04869	1.4
145.06422	2.0
149.05948	2.0
151.03914	3.1
151.07515	17.9
158.53600	1.2
160.05151	2.5
161.05978	6.7
163.07581	5.4
165.05423	1.4
165.06955	2.1
167.07033	2.2
171.08041	1.4
174.06693	2.4
175.07518	13.0
177.05453	1.1
177.06955	1.9
177.09067	2.1
181.06451	1.5
181.08543	1.3
187.07518	3.1
189.07098	1.3
189.09076	2.4
191.07007	1.2
194.07286	5.1
203.10619	2.3
205.06458	11.1
206.07152	2.9
207.08147	1.2
209.09663	1.4
211.07449	2.6
219.08064	6.5
219.09924	1.2
221.05907	2.6
222.06760	14.0
223.07437	1.8
225.08965	1.7
233.05984	6.5
234.06712	15.1
235.07329	2.0
237.09070	40.5
239.06955	2.3
247.07558	7.4
248.08301	2.5
249.05434	1.5
249.09126	4.4
250.06223	13.4
251.07156	3.6
253.08630	3.3
254.09354	1.6
259.09641	1.4
262.06284	2.4
263.07141	1.5
265.08569	80.7
266.09348	5.8
267.06451	2.2
267.09427	1.1
268.07309	2.8
273.11267	3.6
277.08606	12.5
279.09961	2.5
282.08798	13.8
283.09564	6.9
285.11237	5.2
289.64310	1.1
291.10126	1.7
294.08798	2.1
295.09634	2.0
297.11182	100.0
298.11456	3.0
309.11188	15.8
311.12704	3.4
321.11050	1.7
327.12201	12.6
351.15604	1.2
361.14282	1.2
473.19403	1.6
503.20224	1.1
529.21606	1.6
689.29004	3.8
709.83893	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.2946
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	0.7
60.05931	0.6
66.04694	1.1
70.06580	2.2
71.51792	0.7
71.75226	0.9
72.08134	0.9
79.05487	1.1
81.07037	1.3
84.04504	1.3
84.08126	1.0
86.09684	1.7
91.05460	6.0
94.04185	4.0
95.04965	0.8
103.05443	11.7
105.06995	2.0
107.04939	1.1
108.05737	0.7
109.06476	0.9
110.07186	1.0
115.05431	0.7
117.07024	1.4
119.04925	2.9
121.06451	1.2
122.03631	8.0
123.04391	0.7
125.05972	0.7
129.06946	1.3
131.04909	21.4
131.08531	1.0
133.02861	0.7
133.06444	1.9
135.04411	3.5
135.08075	0.9
136.05188	1.4
136.07549	0.7
137.05959	100.0
138.06319	1.6
143.04868	1.3
143.08531	0.6
145.06465	2.7
146.03595	1.1
147.04387	1.3
147.08020	2.0
149.05989	2.8
151.03926	1.1
151.07521	18.6
157.06453	1.2
158.07190	0.7
159.08069	1.7
161.05956	9.7
163.07507	17.7
164.47064	0.6
165.07013	2.3
165.09058	1.9
167.08560	0.7
171.08057	0.9
174.06714	1.6
175.07542	5.9
177.09033	4.6
178.07750	0.7
179.07024	1.2
182.07333	1.0
182.84967	0.7
183.08104	0.9
187.07562	3.4
189.07043	0.7
189.09114	2.8
193.06448	1.9
195.07980	2.3
199.07500	1.2
201.09016	1.6
203.08652	0.8
203.10608	2.9
205.06436	1.0
210.06801	1.7
211.07489	0.9
213.09033	1.4
219.08109	1.3
219.10144	2.1
221.05943	2.6
222.06760	1.4
225.09050	4.2
227.10637	1.7
231.17314	0.8
233.09447	0.9
235.07428	1.5
237.09019	1.1
240.07837	1.1
248.08353	0.8
249.09027	1.8
251.07036	1.0
251.10655	0.9
252.07607	1.0
253.08597	4.4
255.10052	1.6
261.09259	0.9
263.10654	1.0
265.08539	3.0
266.09198	0.8
267.10089	2.1
268.07266	3.8
269.07974	1.5
275.10757	0.9
277.08600	4.5
278.09323	1.4
283.09628	8.5
284.10498	0.9
285.11200	14.2
287.12692	2.7
291.10144	1.5
294.08743	1.5
295.09598	1.6
297.11368	3.6
299.12796	2.4
305.11414	0.8
307.09680	1.0
309.11169	4.3
311.12784	3.7
313.14304	1.1
321.11469	0.8
323.12769	2.7
325.87262	0.7
335.12662	1.0
347.40756	0.8
351.11957	0.7
351.15784	3.5
409.58414	0.8
445.16605	0.7
447.17871	0.8
467.18396	0.8
479.19836	1.3
497.21185	0.8
499.20834	1.0
511.21609	0.8
517.22168	2.3
529.21887	0.8
623.26215	1.6
641.26837	1.0
653.27454	1.7
671.28461	1.3
689.28925	1.9
689.49402	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	688.5195
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05493	2.9
57.03411	1.4
57.07067	98.3
58.15128	0.5
59.04993	29.7
62.97569	0.5
67.05508	2.0
69.07050	2.2
69.86874	3.7
71.08620	100.0
72.08947	0.9
73.02924	0.7
73.06541	2.5
79.05478	1.3
81.07047	2.2
83.08603	3.6
85.10170	90.0
86.10519	0.7
87.04453	11.5
87.08080	1.4
89.06018	73.0
91.05444	1.1
93.07032	1.0
95.04961	0.9
95.08616	0.7
97.10149	1.9
99.11720	10.3
101.06015	0.7
101.09617	2.2
101.55947	0.6
103.07578	1.4
105.07005	1.0
107.07047	2.7
107.08584	0.9
111.11724	0.8
113.05976	0.7
117.09102	5.8
119.08557	1.1
130.08601	2.6
131.07030	3.7
133.08588	58.0
136.17807	0.6
139.14766	0.6
141.16359	9.9
145.10156	0.7
147.10150	0.7
160.31693	0.6
175.09627	3.6
177.11200	20.3
182.12144	0.6
184.79774	0.6
199.20544	19.7
205.99669	0.6
211.14926	0.6
219.12212	1.3
221.13795	4.3
223.15230	0.8
239.14812	0.6
240.23116	2.0
257.24728	9.0
265.16437	0.7
283.17352	2.1
309.18832	0.6
327.19891	1.8
371.22571	1.3
397.24219	0.8
415.25305	9.6
455.28168	1.6
473.29474	0.9
688.50793	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	688.5202
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00276	0.8
55.05508	1.7
57.07073	86.5
58.07404	0.7
59.04998	13.6
63.23384	0.6
67.05491	1.9
69.07082	1.1
69.46255	7.0
71.08627	65.5
73.02915	0.9
73.06548	4.8
79.05486	1.2
81.07060	1.7
83.08615	1.2
85.10178	49.7
87.04465	14.9
89.06026	100.0
93.07021	1.2
97.10161	1.5
98.20722	1.1
99.11729	6.9
103.07569	7.7
105.07030	0.9
107.07071	2.7
107.08549	0.7
113.13275	2.6
117.09145	4.2
130.08641	3.6
131.07037	4.5
131.10728	0.7
133.08598	76.7
141.16341	0.7
155.17928	4.7
161.11702	0.7
175.09595	3.6
177.11217	31.3
193.43398	0.7
212.87025	0.7
213.22163	5.0
219.12332	1.1
221.13802	5.2
223.15298	1.1
239.14963	1.6
257.24734	4.2
283.17456	3.2
309.19070	1.1
315.45273	0.6
327.20206	1.5
371.22852	1.3
383.73804	0.7
415.25278	2.2
459.27933	8.2
499.30783	1.1
517.32306	0.8
671.49292	1.5
688.51752	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	688.317
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30473	0.2
55.01870	0.3
55.05505	0.3
57.03423	0.2
61.39746	0.2
65.03935	1.4
65.95416	0.2
67.05498	16.3
69.07061	12.8
70.06588	3.1
71.04979	1.8
71.75056	0.3
71.75426	0.3
73.79658	0.3
73.80093	0.2
76.85540	0.2
81.03397	0.3
81.07049	0.5
84.08125	0.7
85.06531	0.2
91.05485	0.4
93.07011	0.5
95.04958	34.3
95.08630	0.4
112.07592	100.0
113.05992	19.0
113.07904	0.5
125.09576	0.2
130.08649	0.5
155.07018	2.6
167.22049	0.2
173.08121	0.4
199.93410	0.3
207.10085	0.2
213.86513	0.3
215.09068	0.3
224.12796	16.5
242.13875	0.5
284.14890	11.3
285.15070	0.2
336.17987	2.8
336.61847	0.2
339.24625	0.3
394.15524	0.3
508.25513	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.3017
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76742	0.5
53.03931	0.6
55.05501	0.9
67.05499	1.8
67.17116	0.5
69.07064	0.9
69.96446	3.6
72.08153	0.6
79.05489	1.7
80.87958	0.6
81.03427	0.6
81.07043	3.4
83.08595	0.9
85.49963	0.7
91.05474	2.5
93.07037	1.9
94.31274	0.5
95.05003	0.9
95.08607	1.3
97.13939	0.6
98.21400	1.1
105.07058	1.8
107.08624	0.7
109.10175	1.1
113.03441	0.5
119.08597	1.3
120.08111	0.7
130.06511	0.8
131.08566	1.3
132.08014	1.0
133.10194	1.6
144.08099	1.3
146.09668	0.7
147.11681	0.9
158.09619	0.7
161.13210	0.7
168.08104	0.8
171.09238	0.6
172.07550	1.0
184.15297	0.6
185.10887	0.6
187.11179	0.7
195.09119	1.3
196.09926	0.9
197.10733	1.9
199.08740	1.9
208.09854	1.5
209.10742	7.4
210.11510	2.4
211.08835	0.6
211.12437	2.8
213.06664	1.7
213.10260	1.2
221.10774	2.0
222.11345	3.3
223.08691	1.7
223.12219	5.9
224.13107	4.7
224.17876	0.6
225.06558	1.0
225.10136	1.0
225.13821	4.2
226.14619	0.9
227.08189	2.0
232.09641	0.9
235.12334	2.0
236.09453	0.9
236.13185	1.6
237.10214	2.6
237.13847	16.2
238.14667	8.6
239.15407	4.3
240.16216	1.0
241.09787	2.0
248.09390	0.7
249.13963	1.2
250.11079	1.3
251.08202	0.7
251.11815	1.6
252.12610	1.1
253.13469	2.7
255.07739	1.6
255.11400	1.4
263.39203	0.6
265.13376	9.9
266.14111	4.4
267.14935	4.2
269.09344	1.7
273.12436	2.0
275.15390	0.8
283.10867	1.0
285.12521	1.2
286.13489	1.1
287.13995	0.9
293.12875	0.9
294.13339	0.7
297.12369	2.0
298.13470	1.0
299.10519	1.0
299.14697	0.9
300.15158	1.1
301.12308	0.7
301.15842	1.0
302.16553	1.3
309.15988	1.8
313.15591	0.9
314.16586	1.1
315.13409	3.0
315.17267	0.7
316.18158	0.7
325.15494	9.2
326.12857	1.2
326.16394	2.2
327.16995	3.8
328.14609	1.4
328.17987	1.1
329.11548	0.8
336.14755	1.4
340.14197	1.0
340.18015	0.8
342.19754	0.7
343.12988	2.6
356.14169	0.7
358.15274	0.9
364.17932	0.8
367.19058	0.9
372.17337	1.0
374.18707	0.8
379.15631	0.8
386.18793	1.2
387.19797	1.4
388.20291	2.0
389.20938	1.5
390.18311	0.7
393.17416	1.0
394.18253	0.9
395.18842	1.6
400.16510	1.6
401.21143	1.1
402.22272	1.3
404.23441	2.1
405.16904	0.8
407.18884	1.1
408.19717	0.8
409.20398	2.3
414.18372	1.7
418.18149	0.8
419.18665	2.0
421.16595	1.0
423.17853	0.9
430.21451	1.0
432.19528	1.0
433.20209	1.9
435.18140	0.9
436.18756	1.1
437.19638	1.2
451.21268	1.8
460.18741	1.0
462.19852	1.0
465.18558	0.8
468.20999	0.8
476.21130	0.6
481.22452	2.1
482.23102	2.1
490.22864	2.4
491.23825	2.2
492.21481	1.3
493.22632	1.3
496.25558	0.7
497.25439	2.3
505.22510	0.7
506.22849	1.2
507.24255	4.9
508.23001	1.4
509.21487	1.4
510.23102	1.7
517.22528	0.9
521.26117	1.5
524.24487	1.7
525.25146	6.6
526.26056	0.8
535.23419	1.0
539.26526	1.9
540.27625	2.2
549.24933	2.7
550.24725	1.2
552.23749	0.8
553.24609	3.3
567.25806	4.2
568.26660	1.9
579.25763	1.3
585.27521	0.8
595.25635	10.0
605.23859	0.9
609.27008	16.7
610.26599	0.8
611.28656	1.1
613.26263	2.7
613.36133	0.9
623.25061	1.0
627.28125	36.0
628.28595	2.0
637.26709	4.3
655.27606	100.0
656.28033	7.2
687.30103	4.6
687.40863	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	687.302
Annotation	Unknow
Peak:m/z	Relative Intensity
54.69295	1.8
55.01871	2.9
55.05511	3.2
57.07066	1.9
61.38872	1.6
67.05499	12.7
69.07067	4.3
69.84766	12.6
79.05482	4.4
81.03412	4.6
81.07066	8.6
91.05479	6.4
93.07040	3.8
95.08612	6.4
98.21465	2.0
105.07047	6.0
105.59702	1.9
107.08605	2.0
109.10147	4.7
117.07055	3.4
119.08575	3.8
125.84116	1.8
131.08592	2.9
133.10150	1.8
145.10123	2.8
146.09703	1.9
147.11624	2.1
161.10820	2.1
170.14052	1.9
182.21156	1.7
195.49637	1.7
220.09941	2.0
229.14345	2.5
261.14209	2.1
263.14478	2.2
275.20074	5.7
289.53046	1.8
299.15244	2.9
362.17038	2.3
365.17471	2.7
393.21066	2.6
395.50900	2.1
421.20270	4.1
423.21729	5.8
435.22452	3.4
436.20880	2.2
437.23264	2.2
446.21210	2.8
447.22107	4.5
448.22473	3.0
449.23618	2.8
451.21906	2.5
460.22031	2.4
461.23291	6.8
462.20670	2.1
463.21124	3.9
467.24551	6.5
468.79202	2.1
474.79404	1.9
477.22897	4.0
491.20737	5.5
505.22128	2.8
507.20279	3.3
508.20947	3.3
509.25320	3.1
517.22467	2.4
519.23767	7.0
521.25244	5.7
523.27368	2.5
536.23688	2.2
549.24579	5.2
551.27014	8.9
552.26697	2.8
567.22156	3.8
577.24115	8.0
581.27655	2.7
594.24365	5.1
595.25464	88.0
596.25775	12.5
609.26898	16.4
623.16925	2.2
623.25153	30.0
624.25232	3.2
627.28149	86.6
627.38593	4.3
628.28223	6.4
655.27594	100.0
656.27209	7.0
684.76819	1.8
687.29700	9.9
687.40527	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	686.5407
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	1.5
57.07070	100.0
59.04712	2.8
59.04996	37.0
70.92507	5.3
71.08626	65.8
83.08639	1.8
85.10170	56.9
87.04413	2.1
89.06031	23.4
97.10155	2.3
99.11725	11.7
101.09664	2.2
113.10040	1.6
113.13284	3.4
117.09141	13.3
127.48582	2.2
133.08586	15.2
155.17935	7.3
174.78494	1.6
177.11230	6.7
186.57011	1.7
199.40839	1.6
213.22124	12.2
214.04955	1.8
222.23396	1.5
225.29341	1.7
271.26321	19.9
283.17581	6.4
290.65625	1.9
319.52954	2.2
341.21439	1.9
375.15335	1.7
379.93613	2.3
599.31976	6.7
613.49701	1.9
660.46033	1.9
690.01385	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.3015
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60804	0.8
53.45441	0.9
53.81320	0.8
55.05502	1.7
65.78720	0.9
67.05500	5.2
69.07064	1.3
71.24340	1.0
71.24676	1.4
79.05480	4.3
81.03400	2.2
81.07043	5.1
85.02926	1.1
91.05467	5.0
93.07047	4.8
95.08609	4.1
105.07019	3.6
107.08597	2.8
109.06572	0.9
109.10163	1.5
109.24620	0.9
113.68063	1.0
115.41232	0.9
119.08580	3.2
121.10139	1.3
131.08551	2.4
133.10127	2.5
135.11786	0.9
145.10080	1.6
147.11682	1.2
159.11700	1.3
180.85439	0.9
183.09103	1.6
185.09583	0.9
196.09947	1.7
197.10765	1.3
199.08662	1.0
208.09921	1.8
209.10738	6.8
210.11516	2.3
211.08783	1.0
211.12282	2.6
213.06732	1.4
213.10297	1.5
221.10739	1.1
222.11455	2.5
223.08685	2.4
223.12276	6.6
224.12959	5.5
225.13802	3.7
237.10231	3.0
237.11525	1.1
237.13849	16.7
238.14594	8.6
239.11789	1.4
239.15388	4.9
241.09688	1.5
249.13805	1.0
250.10971	0.9
251.11699	1.3
252.12645	1.6
253.13264	1.3
255.11429	1.2
264.92108	1.0
265.13370	10.1
266.14145	4.1
267.14935	3.8
269.09302	2.3
273.12323	1.6
275.19965	2.8
287.14212	1.2
293.12723	1.2
297.12369	4.0
300.14914	1.3
301.15723	1.2
309.16055	1.4
314.16522	1.8
315.13428	3.2
316.18396	1.2
325.15363	9.5
326.16275	1.6
327.17139	3.9
336.14926	1.3
343.12811	1.5
379.15430	1.1
399.16043	1.2
400.16479	1.7
402.21729	2.1
404.23489	1.6
405.16705	1.3
411.22354	1.2
419.18231	1.6
421.20474	1.4
430.21136	1.1
437.19727	1.1
438.20245	1.3
451.21011	1.2
453.22711	1.1
462.19916	1.0
463.20761	1.1
469.22101	1.3
480.23264	1.3
481.22531	1.6
482.23151	1.0
490.23251	2.0
491.24408	1.8
492.20807	1.2
493.22229	1.6
497.25089	3.4
505.23529	1.4
507.24194	4.5
510.22559	1.4
511.23511	1.4
521.25378	2.6
524.24225	1.3
525.25195	5.2
534.22284	1.3
535.22937	1.3
539.26147	1.5
540.27411	1.1
542.57947	1.0
549.24634	3.2
553.24286	3.4
567.26355	4.7
568.26416	1.3
579.26086	1.7
585.27039	1.4
595.25433	11.7
609.27020	16.0
610.26569	1.5
613.26312	2.5
627.28168	36.9
627.38580	1.8
628.28302	1.7
637.26434	5.4
655.27570	100.0
656.27936	6.8
687.31055	7.8
687.39862	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	686.4465
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19869	0.5
53.03950	1.6
55.01875	1.0
55.05504	13.8
57.03430	12.5
57.07066	2.8
59.04992	3.3
61.02921	4.6
65.03942	2.2
67.05498	100.0
69.03416	1.9
69.07057	7.5
70.12663	1.1
70.13062	2.8
71.04974	3.5
71.08609	1.0
73.02917	1.6
79.05023	1.2
79.05482	22.4
81.07050	37.5
83.04998	0.7
83.08606	9.5
85.02881	5.7
85.06532	2.6
89.05996	0.9
91.03946	1.9
91.05461	14.7
93.07036	26.8
95.04947	2.1
95.08598	26.5
97.02879	2.9
97.06505	0.9
97.10163	1.9
98.21344	1.2
99.04439	0.8
99.08097	0.8
105.07021	6.8
107.08577	13.9
109.06506	0.9
109.10146	76.5
110.10525	0.8
111.08067	2.6
114.39129	0.7
117.06992	3.1
117.81347	0.6
119.08567	10.9
121.09287	0.7
121.10136	11.6
123.11660	3.1
125.09621	1.3
127.03886	1.0
129.06905	0.7
131.08559	6.2
133.10124	5.8
135.11699	7.7
137.09572	3.1
137.13208	1.1
143.08511	1.0
145.10130	4.7
147.11684	2.8
149.13226	5.4
155.10641	5.1
159.11685	3.4
161.13223	2.9
163.14793	2.9
173.11761	21.7
173.13252	3.9
175.14822	1.3
187.14827	2.2
201.16393	1.0
227.12830	2.9
229.14333	82.7
230.14711	1.3
243.21066	4.7
261.22125	17.5
279.23099	0.7
299.14810	1.8
317.15854	0.7
317.24652	4.0
335.25766	75.4
336.26080	1.5
379.29868	1.0
397.30807	1.4
415.32068	1.0
421.79755	0.6
470.34018	0.8
471.34659	1.1
489.35733	58.3
490.35849	1.6
507.36591	2.9
507.43646	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.4467
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.2
55.01867	0.6
55.05504	9.3
57.03429	10.3
57.07069	2.2
59.04998	3.6
61.02919	3.9
65.03931	2.2
67.05495	87.8
69.03417	1.6
69.07061	5.7
71.04990	2.8
71.08618	0.8
71.18826	1.4
73.02908	1.1
79.05485	13.0
81.03365	0.6
81.07048	32.7
83.04969	0.6
83.08616	6.6
85.02877	3.0
85.06538	2.6
91.03957	1.6
91.05458	10.5
93.07034	20.7
95.04966	1.3
95.08596	21.0
97.02899	1.4
97.06528	1.1
97.10162	1.4
99.08106	0.9
105.07016	6.1
107.08584	11.2
109.10145	64.3
110.10468	1.3
111.08054	3.5
117.07008	1.7
119.08561	8.9
121.10137	7.9
123.08060	0.8
123.11701	2.5
125.09630	1.1
127.03831	0.8
131.08572	3.7
133.10089	4.2
135.11676	6.3
136.51781	0.7
137.09575	2.8
137.13263	1.0
145.10126	2.2
146.21431	0.6
147.11713	2.8
148.48788	0.6
149.13237	3.7
155.10626	4.6
159.11639	3.4
161.13251	2.9
163.14803	2.9
173.11737	22.2
173.13217	3.0
175.14783	0.7
187.14835	1.5
189.11232	0.8
227.12805	4.2
229.14325	100.0
230.14658	2.5
243.21027	5.9
261.22107	15.6
262.22568	0.9
317.24506	3.1
333.24298	0.7
335.25760	70.7
336.26077	3.6
397.30869	1.3
401.68729	0.6
415.31924	1.7
471.34634	1.0
485.52728	0.6
489.35715	37.2
490.36496	2.8
507.36710	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	686.4315
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37492	0.4
55.05505	4.1
57.03435	3.1
57.07072	37.7
61.02921	12.6
61.78942	0.5
67.05148	0.5
67.05499	9.7
69.03421	1.7
69.07063	5.7
70.03351	3.0
71.04989	0.8
71.08625	31.4
73.02907	5.1
75.04465	1.7
79.05485	1.2
81.03396	0.8
81.07048	14.7
83.08165	0.9
83.08611	10.9
85.02898	16.8
85.06579	0.6
85.10173	18.0
89.06017	0.6
91.03949	13.7
93.07053	0.7
95.08598	24.1
97.02891	7.8
97.10167	8.6
98.20766	0.7
99.04445	0.9
99.11726	1.9
103.07559	0.8
109.02907	0.8
109.10148	11.9
111.11684	2.4
113.13287	0.6
117.46044	0.5
123.11714	5.4
127.03897	5.6
135.11729	0.5
137.13239	2.3
145.04944	8.8
151.14799	1.1
163.06010	12.0
203.37209	0.5
212.54106	0.4
228.20451	0.5
232.79663	0.5
235.24205	1.8
240.59019	0.6
253.25230	23.8
254.25525	0.7
271.26239	4.3
327.28909	100.0
328.29248	4.1
345.29974	29.9
346.30460	1.0
348.05182	0.5
362.16138	0.7
465.60953	0.6
467.34827	0.5
595.25372	1.0
599.28680	0.6
640.11401	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.3894
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97034	0.9
55.05491	1.5
57.07066	6.9
58.06600	2.7
70.06586	19.2
71.08636	3.0
71.75611	1.7
72.08163	1.9
72.40800	1.0
75.95808	1.0
82.37112	1.0
85.10195	1.3
88.07624	22.7
91.05811	1.1
98.20965	1.6
102.09176	17.3
121.67818	1.0
139.03944	1.1
149.02333	40.0
160.57088	1.0
168.47035	1.1
175.03972	1.6
190.44002	1.0
193.04956	49.7
219.06425	1.5
223.09171	1.1
225.05542	1.3
237.07550	13.3
269.04572	1.5
284.29462	49.4
297.04037	3.0
313.07321	3.0
341.06577	12.1
359.07541	8.5
385.09155	22.4
385.13892	1.8
429.11798	33.5
686.38916	100.0
687.39166	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	685.4004
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75515	3.0
53.03929	4.6
55.05501	17.3
57.03419	5.1
57.07071	10.0
67.05501	26.2
69.03422	9.4
69.07058	35.7
69.68394	20.9
70.06582	19.3
71.04982	7.3
71.08635	2.9
72.08170	3.4
79.05487	11.8
81.03401	14.7
81.07049	93.9
83.04982	3.6
83.08607	13.2
84.04495	3.0
84.08134	7.8
85.02909	9.9
85.06532	7.7
86.06039	2.8
86.09702	9.4
91.05478	12.5
93.07039	28.9
93.96623	2.8
95.04951	9.5
95.08595	100.0
95.09203	5.6
97.02885	4.9
97.06509	7.1
97.10168	14.6
97.66927	3.0
99.04441	6.2
99.08089	6.8
103.05468	3.8
105.07020	25.7
106.07319	3.9
107.04947	4.4
107.08574	32.3
109.02882	10.7
109.06512	4.3
109.10146	55.5
111.08054	5.5
111.11707	7.6
117.07012	4.7
119.08559	17.5
120.08112	3.8
121.06509	5.3
121.10136	27.4
123.08093	3.3
123.11698	27.4
125.09617	7.2
125.13207	3.2
129.10287	3.9
131.08577	4.4
133.10136	12.2
135.08067	5.8
135.11705	25.3
137.05978	19.2
137.09549	8.1
137.13222	15.2
139.11171	10.8
145.10141	7.3
147.08055	3.8
147.11697	10.9
149.13206	23.4
151.03940	4.2
151.07524	4.9
151.11142	6.3
151.14809	19.5
157.12231	5.2
159.11693	8.2
161.05975	5.7
161.13274	10.4
163.07564	3.1
163.11093	3.4
163.14799	13.2
165.09026	14.4
165.12701	7.3
167.07030	8.7
173.13216	6.3
175.14857	6.9
177.16365	8.4
179.14334	8.1
179.17885	3.9
181.34627	2.9
187.14813	4.5
189.16275	6.2
191.17854	4.7
193.08667	3.1
195.17433	4.5
205.19273	3.1
215.18044	5.1
233.19084	3.8
259.24246	8.3
271.10507	3.3
271.24191	13.0
277.25339	21.1
289.25223	44.7
290.25668	3.1
295.26477	3.6
307.26324	21.3
338.61795	3.2
375.23792	3.7
399.23633	3.7
445.66013	3.6
457.31503	5.9
468.64627	3.3
469.31647	38.4
487.32352	9.2
592.89557	3.4
685.35309	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	684.2854
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	1.3
57.03431	6.0
59.06092	1.0
60.04508	3.6
61.02913	1.0
69.03420	1.4
69.78560	5.9
70.06579	6.2
71.04984	31.2
75.04465	1.7
79.05489	1.0
83.04962	1.7
84.04472	1.7
84.08128	2.8
85.02898	40.4
86.09685	3.1
87.04448	1.4
91.05484	5.9
94.04167	2.2
95.04975	1.5
97.02888	1.8
101.07133	1.2
103.05469	9.6
105.07012	3.4
107.04949	1.8
107.97184	1.0
109.06483	2.3
115.05450	3.3
117.07000	1.8
118.04178	0.8
119.04933	1.3
119.08542	5.0
120.08056	1.1
122.03640	4.4
127.03844	1.1
128.06215	3.3
129.05479	9.8
129.06958	4.0
129.10211	2.8
130.62877	0.8
131.04909	14.6
132.05705	6.3
133.06450	3.2
136.07707	1.0
137.05960	100.0
138.06311	1.3
145.04973	1.2
145.06418	1.3
147.04456	0.9
147.06467	2.5
147.08008	7.0
149.05972	1.2
151.07541	2.5
155.04863	1.0
157.06392	1.6
157.07594	1.1
159.07986	1.8
160.05154	3.7
161.05977	11.8
163.07529	27.9
164.76520	0.9
169.06483	1.0
171.07849	1.4
175.07529	79.7
177.09142	1.1
179.07034	1.6
181.06223	1.7
184.05084	1.6
187.07510	6.4
189.09088	1.1
190.07735	1.1
191.08559	3.0
193.08588	2.0
199.07497	7.3
201.09126	2.0
202.07764	2.4
203.08559	3.8
216.09714	1.2
217.08498	1.8
218.07190	1.6
219.08075	5.8
220.08752	1.4
231.07994	6.1
232.08708	1.0
236.08342	1.1
247.07530	3.5
248.08316	2.5
251.10626	7.4
259.07550	3.9
260.08328	1.4
261.09097	1.5
262.09918	1.0
263.10611	3.9
276.07849	2.2
276.86255	0.9
277.08533	2.6
279.10147	6.4
291.10126	8.8
292.10986	2.4
293.11597	1.1
295.13370	1.4
297.10956	1.2
308.10382	1.2
309.11096	1.5
311.12756	24.4
323.12753	29.9
325.14334	11.4
337.14236	1.4
341.13959	4.3
347.12549	1.0
365.13507	1.8
421.16119	1.1
439.17429	1.6
457.18530	2.2
469.18552	1.1
496.66153	1.0
566.05255	1.0
616.63214	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.3845
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	26.5
57.03433	4.9
57.07056	7.2
60.06899	3.2
62.59721	3.3
67.05499	31.2
69.03416	8.2
69.07063	35.7
69.53065	28.2
70.06590	10.1
71.04965	7.4
71.20016	3.0
72.08175	4.4
77.28282	3.1
79.05485	35.1
80.97829	3.3
81.03415	21.3
81.07050	100.0
81.07533	4.9
81.34656	3.9
83.08609	18.6
84.08131	3.7
85.02907	13.3
85.06561	5.5
86.09717	4.2
90.20396	3.1
91.05472	26.5
92.62466	3.1
93.07041	72.9
93.07595	5.9
95.04964	11.9
95.08599	89.3
97.02922	7.5
97.06561	13.1
97.10162	19.9
98.21421	5.6
99.04465	5.0
99.08096	4.0
103.05459	4.8
105.07005	41.5
107.04975	5.2
107.08589	64.2
109.02887	14.8
109.06527	6.1
109.10142	59.2
111.08089	9.7
111.11719	6.9
112.40320	3.1
117.07015	4.0
119.08578	59.2
121.10143	48.8
123.11694	31.1
125.09635	14.2
127.03898	4.8
131.08589	9.3
133.10114	42.0
135.08046	3.5
135.11676	38.1
137.06006	11.9
137.09598	4.2
137.13231	5.9
139.11211	6.5
145.10147	14.8
147.11690	34.7
149.13246	61.7
151.11176	9.1
159.11710	16.5
161.06026	4.1
161.12100	4.0
161.13190	21.0
162.55920	3.6
163.07552	4.1
163.14835	13.1
165.12714	8.3
165.80446	3.9
167.07083	8.2
171.11754	3.8
173.04433	3.8
173.13251	10.9
175.14825	10.9
177.12692	3.5
177.16382	13.5
177.47983	3.2
179.14275	5.9
187.07547	3.8
187.14804	8.2
189.16389	18.0
191.14429	4.3
193.15808	3.8
195.17390	5.8
201.84999	3.4
240.13651	3.3
257.22623	6.6
259.24231	10.9
269.22562	7.8
275.23718	15.5
277.25293	19.6
287.23734	21.0
293.24670	11.7
305.24741	67.8
305.88235	3.8
323.25848	18.4
437.29089	4.6
449.28854	4.9
455.30182	22.7
467.29901	34.4
485.31180	8.0
683.36621	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	683.3842
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	7.9
53.34694	1.9
55.01858	2.4
55.05269	2.2
55.05505	24.7
57.03417	4.3
57.07053	7.4
61.02885	2.2
65.03929	1.8
67.05498	36.3
69.03403	8.1
69.06741	2.2
69.07062	30.6
69.31336	1.7
69.75067	14.3
70.06567	7.3
71.04981	4.1
71.08617	3.7
77.03937	1.8
79.05484	25.8
79.66221	1.6
80.94221	1.6
81.03423	11.8
81.07047	100.0
83.08620	19.2
84.08141	4.4
85.02916	9.8
85.06528	4.4
86.09674	3.2
91.05455	21.7
93.07034	61.5
95.04941	7.5
95.08596	86.1
97.02848	1.8
97.06531	10.4
97.10172	16.4
99.04446	4.3
99.08084	3.5
105.06337	2.8
105.07018	45.2
107.04977	2.2
107.08582	62.5
109.02874	8.9
109.06515	5.3
109.09413	3.1
109.10145	57.5
111.08066	5.6
111.11726	4.6
112.01456	2.1
115.07513	2.1
117.06998	4.8
119.08569	47.4
121.10132	43.0
123.08025	5.5
123.11687	24.6
125.09608	7.6
127.03904	3.8
131.08548	6.6
133.10109	48.7
135.08061	1.9
135.11676	32.1
137.05919	6.2
137.09581	5.9
137.13220	7.9
139.11186	5.4
143.08557	5.5
143.10773	2.1
145.04903	2.1
145.10092	8.2
147.11661	19.0
149.13243	61.4
151.11143	7.2
151.14716	2.5
153.12645	2.0
157.10088	4.3
159.11679	14.1
161.13225	13.7
163.11229	2.8
163.14769	14.2
165.09099	2.7
165.12749	5.1
165.16354	6.1
167.06938	3.7
167.14261	2.4
171.11647	3.2
173.13271	7.2
175.14816	8.4
177.12688	3.0
177.16347	10.9
187.14822	5.0
189.16315	9.5
191.14253	2.0
191.17880	2.6
192.06836	2.0
193.15880	2.5
203.17889	3.0
223.16797	2.2
225.10286	2.1
233.08095	1.9
257.22604	3.7
259.24133	16.7
260.84064	1.8
261.21964	2.8
269.22607	7.2
275.23645	10.2
277.25189	21.6
287.23688	16.1
292.18851	2.2
293.24725	12.8
294.78244	1.8
305.24738	60.5
306.24911	3.3
323.25766	38.6
362.70453	2.0
449.28897	3.9
455.29880	14.7
467.29852	20.9
485.30688	7.0
522.33368	2.4
683.37494	15.6
684.39172	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	683.2222
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.5
54.87248	0.7
55.01867	4.7
56.05009	0.9
57.03428	1.5
61.02902	1.9
69.03416	5.8
70.06574	2.0
70.43239	1.2
70.43594	2.9
72.28910	0.7
73.02904	1.1
73.04047	4.3
74.02437	1.1
76.02207	1.5
76.03994	1.8
79.05479	4.8
79.62486	0.8
80.05006	1.8
81.03405	12.1
84.04494	30.4
85.02887	7.9
86.00687	0.8
86.99053	1.2
87.04462	1.3
89.92196	0.7
90.97079	0.7
91.05486	1.1
93.10676	0.8
97.01100	1.4
97.02872	3.9
98.06062	1.0
99.04443	0.9
105.03413	2.3
106.06544	7.1
107.04932	5.4
108.04471	1.5
109.02843	0.9
111.02659	1.3
112.02177	0.9
112.03980	1.6
113.00615	0.9
116.01664	8.4
116.04967	13.4
116.17161	0.7
122.06063	0.8
127.03931	1.9
130.04987	9.7
132.04498	0.8
133.07600	3.0
134.05989	14.0
134.06906	1.1
136.03928	1.7
139.02119	10.7
139.03102	1.2
140.01666	2.7
142.03206	9.3
142.04942	1.3
144.01109	4.4
144.08128	2.5
145.04907	0.9
147.04385	1.0
149.07114	2.9
151.08629	3.8
154.04985	1.3
155.04593	1.1
156.04756	6.7
156.08112	2.6
157.06108	1.9
157.07643	1.4
158.06081	1.4
162.02190	13.4
167.01677	2.9
170.02708	4.0
171.09155	8.7
177.03413	0.9
185.07051	1.6
194.06355	1.6
199.05470	1.2
199.08649	12.2
200.07100	2.4
202.08601	1.3
208.08374	1.2
211.07230	2.1
217.09807	2.0
218.08115	2.1
222.05818	32.0
227.08186	3.2
230.99701	0.9
242.04813	6.4
243.04305	0.9
245.03793	0.9
245.06067	2.9
245.09285	14.2
246.07610	1.1
250.05270	9.9
257.07745	1.3
259.07556	3.3
263.10236	17.9
267.08081	2.2
295.07620	1.8
313.13873	0.9
325.08444	7.3
369.02768	1.2
370.10522	1.3
371.09171	1.0
388.11923	1.5
425.15512	5.9
441.39044	0.9
521.16962	50.2
522.17236	2.0
683.22205	100.0
684.22687	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	681.2531
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.2
55.01867	1.5
55.05500	0.7
57.03418	0.9
61.02915	1.4
64.32816	0.5
64.87126	0.5
65.63287	0.6
69.03424	4.0
69.57881	5.6
70.06577	4.5
71.05006	0.7
72.08143	1.1
79.05489	2.0
81.03390	1.6
81.94471	0.7
84.04494	0.6
84.08124	2.0
85.02891	8.1
86.09683	2.3
87.04463	0.7
91.05480	4.5
94.04173	3.4
97.02864	3.4
100.11271	1.5
103.05478	4.3
103.95880	0.6
105.07027	4.7
107.04945	1.6
109.02866	1.2
109.06532	1.2
111.04438	0.9
115.05446	2.8
117.07024	1.6
119.04910	1.4
119.08565	2.8
121.06505	1.8
122.03629	7.8
127.03888	1.6
128.06221	2.8
129.06987	3.0
129.10219	0.9
131.04913	6.4
132.05682	2.1
133.06467	3.1
135.04448	1.2
137.05965	100.0
141.06972	1.6
144.05670	1.5
145.04904	0.9
145.06473	1.8
146.03687	1.0
147.04401	1.3
147.08049	4.0
149.06001	3.2
151.03914	1.1
151.07549	3.2
153.05484	0.6
153.06935	0.8
156.05646	0.9
157.06439	0.8
157.80562	0.7
159.08032	4.5
160.05180	2.3
161.05956	10.8
163.07526	9.4
165.07013	3.0
166.07739	1.0
167.07082	0.7
167.08612	0.9
169.06438	1.3
171.08121	1.1
172.05162	2.9
173.05965	1.3
173.10146	0.8
174.06723	0.8
175.07533	28.6
177.05359	0.9
177.09128	1.1
178.07820	0.9
179.07054	1.6
179.08524	1.5
181.06433	1.0
182.07251	1.1
184.05191	2.1
185.05927	1.1
187.07529	14.0
189.07060	0.8
189.09085	1.2
190.07697	0.9
190.97008	0.7
193.06541	1.7
194.07303	2.5
195.07968	0.8
199.07538	14.9
201.09076	1.8
202.07863	1.6
203.08614	1.4
205.06470	2.0
207.08032	1.5
209.05870	1.0
210.06682	1.5
211.07568	1.4
215.08553	2.4
217.06693	0.8
217.08572	1.6
219.08035	2.6
220.08838	1.2
221.06017	1.8
221.09575	1.5
222.06734	2.3
224.08293	1.4
225.09074	1.8
231.08044	2.7
232.08807	1.3
233.05916	1.5
233.09644	2.2
234.06731	1.6
235.07538	2.8
236.08163	0.8
237.09085	3.5
238.06206	0.9
239.06985	6.1
240.07501	2.4
241.07990	0.7
243.07996	1.9
244.08707	1.0
247.07555	1.7
248.08334	1.2
249.09137	3.0
250.06190	1.0
250.09846	0.8
251.07010	1.3
252.07872	0.8
253.08563	2.8
259.07443	1.8
260.08322	1.8
261.09091	2.8
263.06958	1.3
263.10651	1.4
264.07730	1.2
265.08585	9.8
266.09198	1.1
267.10217	1.9
271.07526	0.9
273.08890	1.0
273.11417	0.8
275.06955	0.9
275.10629	1.9
276.07648	0.9
277.08585	5.0
278.09259	1.5
279.10138	1.9
281.08478	0.9
282.08765	1.0
283.09760	1.6
285.08438	0.8
285.11246	11.2
287.06784	0.7
287.10489	1.4
288.07703	1.3
289.08347	3.8
290.09290	1.2
291.07114	0.7
291.09982	3.5
292.10870	0.9
293.11584	1.3
294.08835	1.8
295.09766	1.3
296.10400	0.8
297.11182	16.1
299.12802	1.2
300.07825	0.8
301.08716	1.2
302.09167	0.9
303.10156	3.8
304.10562	0.8
305.08231	1.1
306.08902	1.2
307.09808	2.2
309.11237	5.2
310.11829	1.5
311.12869	4.3
315.12622	1.3
316.06992	0.6
319.10428	1.0
320.10449	1.1
321.11197	8.2
322.12079	2.3
323.12796	7.7
327.12616	0.9
333.11200	1.4
335.12860	11.4
347.12711	3.0
348.11746	0.8
349.14398	1.1
359.12817	0.9
364.11011	0.7
365.14053	1.1
367.13489	0.8
375.09985	0.8
379.13376	1.4
380.10071	0.8
407.12781	1.6
411.15878	1.6
415.26465	0.8
419.12775	1.4
421.10532	0.9
424.13266	1.1
439.15399	6.0
440.15878	0.7
451.15356	3.0
459.17975	7.3
471.18024	15.9
473.19543	1.1
483.17929	3.1
489.19315	1.0
501.18832	2.7
616.05652	0.7
680.51794	0.9
681.26172	0.9
681.51776	1.5
705.35468	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.3889
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20034	2.5
50.86827	2.6
53.03933	3.7
55.05505	20.5
57.03426	9.5
57.07060	11.9
61.02918	16.8
67.05498	82.1
69.07058	32.5
70.06573	6.0
70.36387	2.7
71.04974	2.9
71.08622	6.1
71.55087	4.3
73.02902	8.6
79.05482	21.5
81.07047	100.0
83.08610	27.6
85.02892	22.8
85.06551	4.2
88.07615	5.4
89.06036	2.8
91.03923	16.6
91.05462	19.6
93.07034	30.1
95.08593	81.1
97.02870	7.7
97.06512	5.6
97.10150	14.9
97.27458	2.7
99.08088	4.0
102.09171	3.7
105.07012	12.0
107.08574	21.9
109.10154	49.0
119.08580	17.1
121.10136	25.6
123.11706	21.9
125.09596	2.7
127.03915	7.3
133.08580	3.8
133.10104	14.9
135.11700	15.6
137.13240	12.1
145.04974	5.7
147.11682	10.6
149.02348	4.9
149.13197	12.6
151.14783	9.4
155.14317	3.7
161.13249	12.4
163.06000	11.4
163.14787	10.3
165.16374	9.6
175.14789	11.7
179.17908	6.9
189.16386	6.0
193.04996	5.8
194.05307	3.1
216.30363	2.5
217.19452	3.3
245.22629	72.7
256.26266	13.9
257.26688	9.7
263.23700	87.7
273.16776	2.7
337.27325	73.9
355.28558	6.5
499.32629	3.5
678.54224	9.6
679.55194	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	679.4385
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12100	0.8
55.01855	1.0
69.71336	5.0
69.71745	2.2
71.04942	0.8
74.13720	0.9
81.07069	1.6
85.10194	0.8
89.06048	1.7
95.08622	1.3
100.78915	1.0
134.24330	1.1
211.13519	0.9
258.02167	1.0
283.35663	0.9
481.86954	1.1
679.43799	100.0
680.44159	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.2534
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.0
55.01862	5.2
55.05497	6.2
57.03418	4.0
61.02906	4.1
62.78040	1.7
65.03924	3.4
67.63561	1.6
69.03425	20.7
70.06584	9.8
71.75731	3.0
72.08124	2.7
73.02900	2.4
75.14365	1.8
77.03929	3.4
78.04694	2.8
79.05472	7.5
81.03403	7.8
83.04982	2.2
83.08620	5.9
84.04481	2.7
84.08123	4.5
85.02898	32.4
86.09698	4.9
87.96983	2.1
89.03921	3.2
91.05470	13.7
94.04168	3.7
95.04952	8.0
97.02876	11.9
100.07604	2.2
100.11246	27.7
101.11610	4.9
103.05434	10.4
105.03370	5.5
105.07019	10.0
107.04947	8.9
109.02863	2.5
110.03633	3.7
110.06034	2.7
111.04444	10.4
115.03867	1.9
115.05401	8.6
116.06189	2.0
117.03394	1.9
117.07001	4.2
119.04944	5.2
119.08579	7.4
120.08061	2.0
121.06477	10.5
122.03604	9.3
123.04442	4.9
124.05223	2.5
125.05977	4.8
127.03870	4.8
128.06209	6.7
129.07007	9.4
129.10207	3.1
131.04903	18.1
131.08566	3.0
132.05675	5.4
133.02835	73.3
133.06483	6.0
134.03629	2.4
135.04366	4.3
137.05963	100.0
141.06985	3.1
142.51094	1.9
143.04886	3.1
144.05656	4.3
145.06479	6.7
146.03662	1.8
147.04370	6.1
147.07933	7.1
148.05054	2.0
149.05972	15.2
151.03889	5.1
151.07495	17.9
152.08318	2.7
153.05441	18.4
156.05679	2.4
157.06491	2.3
159.04391	3.1
159.08035	17.5
160.05202	4.8
161.05963	24.5
163.07549	10.2
165.05457	14.4
165.06865	3.6
167.07025	90.0
167.08101	3.3
168.07431	2.1
169.06410	4.5
171.08023	2.3
172.05193	3.7
173.05957	4.1
174.06784	1.7
175.07529	68.6
176.04712	3.5
177.05444	5.1
177.09103	5.7
179.07111	9.3
179.08450	2.4
181.08618	3.0
182.15329	11.1
183.15627	2.2
184.05190	2.4
185.05882	3.0
186.06743	4.3
187.07520	32.5
187.09048	3.3
189.05437	1.9
189.07007	2.3
189.09052	5.7
190.07730	1.9
191.07010	23.1
191.08565	4.4
193.08600	8.9
194.07314	1.9
195.08000	5.1
199.07538	14.4
201.05441	6.0
201.09073	5.6
202.07722	4.9
203.06996	4.8
203.08565	4.7
205.06499	4.6
205.08447	2.7
206.07228	2.6
207.07990	2.7
209.16508	7.1
210.14894	12.1
210.16721	3.0
211.07741	2.5
211.15172	3.1
213.98532	1.9
215.08640	2.8
216.07677	2.1
217.06566	3.1
217.08533	4.0
218.07266	6.2
219.08029	13.4
220.08821	5.9
221.05998	3.9
221.09631	3.8
222.06831	2.6
223.07503	7.8
225.09016	2.8
229.08540	4.4
229.15784	1.8
230.07187	1.8
231.08061	8.6
232.08829	3.8
233.05882	5.2
233.09607	7.7
234.06703	4.6
234.10292	2.8
235.07556	6.2
236.08293	4.1
237.09064	6.4
239.06972	2.0
240.07782	2.6
241.08702	2.7
243.08018	3.4
245.06052	2.3
245.09523	2.2
246.06682	5.3
247.07481	9.5
248.08273	4.6
249.05376	2.5
249.09149	8.6
250.06157	2.8
250.09888	5.3
251.06952	2.2
251.10640	3.9
253.08542	3.3
255.10222	6.7
256.10889	3.0
258.06824	3.1
259.07507	4.7
260.08298	3.3
261.05417	2.0
261.09097	13.4
262.06290	1.6
262.09781	6.5
263.07019	6.8
263.10556	6.4
264.07727	8.2
265.08609	15.4
266.09354	2.1
267.10284	3.4
271.09857	2.1
272.07986	1.8
273.08975	3.1
274.06351	3.8
275.07010	6.7
275.10483	3.0
276.07767	8.0
277.05270	2.2
277.08548	11.4
277.11362	1.8
278.09317	7.9
279.10184	9.5
280.10925	2.0
281.08099	1.9
281.11569	3.6
282.08652	2.0
283.09705	4.2
285.11426	4.0
287.12790	3.5
288.07654	3.3
289.08530	10.8
290.09283	6.9
291.06702	3.6
291.09946	14.1
292.07458	3.4
293.08051	7.3
293.11734	7.8
294.08569	2.9
295.09586	3.9
295.13354	1.9
297.11230	10.0
301.08597	3.0
303.10129	5.6
304.07474	2.3
304.10822	4.0
305.08395	3.6
305.11758	11.4
306.05444	1.8
306.08807	3.4
307.09628	14.6
308.10434	4.7
309.11230	9.6
310.11838	2.2
311.12640	3.5
315.12244	5.9
319.09753	10.6
320.10464	4.0
321.11176	19.1
322.11807	4.2
323.12866	12.0
324.10065	1.9
324.13571	7.2
325.14343	9.8
327.12280	4.8
333.11215	2.2
335.12744	7.6
336.10211	2.3
336.13632	17.6
337.14304	17.6
339.12253	88.0
340.12851	2.8
341.13980	8.2
347.12769	3.7
349.14490	2.5
351.12201	45.9
351.16281	3.4
352.12665	2.4
353.13889	13.6
355.15485	2.0
365.13770	3.5
453.36383	2.5
460.34613	2.1
471.17896	6.6
483.17398	2.3
489.18823	9.2
498.25296	1.9
501.18915	17.2
519.19897	4.3
662.49902	6.2
680.51398	36.4
681.25500	2.5
681.51904	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	679.2966
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31532	0.5
55.01863	0.6
55.05235	0.8
55.05508	16.4
57.07063	0.5
65.03935	0.8
67.05487	1.5
68.30524	0.4
69.07056	1.3
69.45084	4.3
70.06588	2.0
79.05473	1.3
80.05035	0.6
81.03433	0.5
81.07043	1.7
82.06570	5.4
83.04978	2.4
83.08612	14.5
84.08152	1.1
85.02897	0.5
91.05475	2.0
93.05779	0.7
93.07037	2.9
94.06563	4.4
95.04956	0.8
95.07349	2.9
95.08595	0.6
96.08126	9.1
97.02905	0.6
97.06522	1.5
98.09689	2.1
98.21440	1.2
100.07604	7.0
100.11246	85.2
103.05466	0.6
106.06519	3.1
107.07397	0.9
108.04486	0.5
108.08108	10.1
109.06504	0.5
110.06034	4.4
110.09670	12.9
110.10426	0.8
111.03664	0.9
111.04431	10.9
111.94439	0.5
112.07587	2.5
112.11249	1.1
117.13828	1.1
117.87021	0.5
118.06564	0.6
119.08551	0.5
120.04464	2.8
120.08099	9.7
121.06411	0.6
122.06003	3.9
123.06831	0.6
124.07584	6.7
124.08457	0.8
126.09155	2.0
127.08706	2.4
128.07065	9.1
132.08089	1.3
134.06004	1.3
134.09642	0.8
136.07564	11.0
137.05991	0.4
138.05476	1.1
138.09134	18.0
139.08655	5.1
140.07059	4.1
144.04469	2.0
144.08014	0.6
146.05988	11.5
146.09656	0.8
147.11676	1.1
148.07559	6.9
150.05502	0.7
150.09140	4.6
152.07066	8.9
160.03981	0.7
160.07593	1.7
162.05536	1.2
164.07060	6.1
164.14398	0.8
166.08626	39.5
166.15936	0.9
172.03932	10.9
172.05360	1.0
172.07520	0.6
173.73912	0.5
174.05522	0.6
174.09140	0.9
176.07048	1.0
182.08179	1.6
182.15395	31.8
184.07578	0.5
184.09929	0.6
190.04959	8.8
192.06541	0.7
192.13905	1.1
197.10732	1.3
198.11581	1.8
199.12268	1.1
200.06979	0.6
204.04636	0.9
204.06538	15.4
204.08360	0.8
205.06960	0.6
206.08203	0.8
208.09892	0.6
209.10835	1.2
209.16479	28.6
210.11560	2.4
210.14870	36.8
211.08638	0.5
211.12302	4.3
212.13075	1.2
218.08084	2.1
220.09688	0.8
221.10757	0.8
222.11635	0.7
223.08723	0.7
223.12256	3.4
224.09329	0.6
224.13112	1.2
225.10257	3.7
225.13910	1.1
226.10876	2.7
226.19106	5.4
227.11749	2.6
227.17543	2.9
228.15877	3.0
235.08664	1.6
235.12303	1.4
236.09427	2.0
236.13123	0.6
237.10245	5.0
237.13892	1.6
238.10995	4.8
239.11784	7.3
240.12581	0.8
241.13385	1.4
246.07607	1.2
247.12358	0.6
248.09535	2.0
249.10178	7.0
250.10962	4.3
251.08180	0.9
251.08937	0.9
251.11780	9.2
252.09023	1.5
252.12538	2.7
253.09811	1.5
253.13397	4.6
254.10698	0.5
255.11382	1.7
256.12039	1.0
257.12811	1.7
259.14465	1.0
262.07129	1.0
262.11044	1.3
263.11768	16.5
264.08936	1.7
264.12546	4.2
265.09799	3.3
265.13391	8.5
266.10526	3.2
266.13718	0.7
267.11276	6.6
267.14575	0.6
269.12766	4.0
271.11057	1.0
271.14398	2.2
273.12305	3.6
275.11807	1.2
276.08722	1.0
277.09744	2.0
278.10403	3.4
279.11252	16.6
280.11990	1.9
280.52332	0.5
281.12851	8.1
282.09967	1.7
283.10791	3.0
283.14322	1.2
284.11633	1.7
285.12314	10.2
287.14008	2.6
291.11237	14.8
292.11954	3.7
293.09485	0.8
293.12799	13.1
294.09973	0.6
295.10776	2.9
295.13922	0.6
296.11575	1.9
297.12314	26.9
298.12952	2.8
299.13882	14.5
305.09149	0.7
305.14954	1.6
307.10815	1.5
308.27036	0.8
309.12308	16.1
309.25415	1.3
310.13043	1.4
311.10266	1.8
311.13962	5.9
313.12024	0.7
313.15546	0.6
315.13358	17.8
316.13953	0.6
319.10715	10.8
321.12332	3.6
323.10312	4.0
323.16245	1.1
324.10938	0.6
325.11804	19.7
326.12476	1.2
326.27951	6.1
327.13358	3.7
335.24390	0.7
336.22794	2.2
337.11795	51.6
338.12091	1.5
339.13464	3.5
341.11261	2.3
343.13016	3.4
343.30627	1.9
344.17450	0.5
351.13498	0.7
355.13037	1.9
356.13876	0.6
357.14392	6.3
358.15268	0.6
362.18979	0.6
369.14459	3.5
370.15317	0.8
371.16083	0.9
372.17218	0.6
373.13748	2.5
376.20239	0.5
382.12048	0.6
388.16260	0.6
390.17969	0.9
398.15091	0.8
399.15674	0.9
401.13391	5.2
401.17670	0.5
402.18283	1.1
404.19879	1.3
416.15512	0.9
418.17358	0.6
420.18884	0.6
422.20889	1.0
430.17526	1.7
432.19272	1.3
435.33249	2.2
436.31970	0.9
438.20065	0.6
440.15979	0.6
444.19156	1.0
446.16516	1.4
446.20999	2.2
448.18832	1.6
449.19608	2.8
450.20105	4.6
452.35922	2.2
453.34390	1.7
458.17242	1.4
462.20264	4.7
464.21976	39.8
465.22189	1.8
466.23450	0.8
472.18411	2.4
474.20233	0.6
476.18201	4.6
478.19919	1.0
482.19220	2.6
490.19693	60.9
491.20065	3.7
492.21344	2.1
493.22015	0.8
494.19144	0.8
508.20911	4.7
514.21936	1.5
522.22333	33.2
523.22839	2.9
526.22131	0.8
552.44806	1.1
585.26172	0.6
587.24713	2.4
603.28174	1.4
611.24969	6.8
619.27625	0.8
629.25867	6.9
643.27557	0.6
647.27032	17.2
648.27832	0.8
661.41455	0.3
661.50000	14.6
679.30524	2.8
679.51086	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.2966
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31532	0.5
55.01863	0.6
55.05235	0.8
55.05508	16.4
57.07063	0.5
65.03935	0.8
67.05487	1.5
68.30524	0.4
69.07056	1.3
69.45084	4.3
70.06588	2.0
79.05473	1.3
80.05035	0.6
81.03433	0.5
81.07043	1.7
82.06570	5.4
83.04978	2.4
83.08612	14.5
84.08152	1.1
85.02897	0.5
91.05475	2.0
93.05779	0.7
93.07037	2.9
94.06563	4.4
95.04956	0.8
95.07349	2.9
95.08595	0.6
96.08126	9.1
97.02905	0.6
97.06522	1.5
98.09689	2.1
98.21440	1.2
100.07604	7.0
100.11246	85.2
103.05466	0.6
106.06519	3.1
107.07397	0.9
108.04486	0.5
108.08108	10.1
109.06504	0.5
110.06034	4.4
110.09670	12.9
110.10426	0.8
111.03664	0.9
111.04431	10.9
111.94439	0.5
112.07587	2.5
112.11249	1.1
117.13828	1.1
117.87021	0.5
118.06564	0.6
119.08551	0.5
120.04464	2.8
120.08099	9.7
121.06411	0.6
122.06003	3.9
123.06831	0.6
124.07584	6.7
124.08457	0.8
126.09155	2.0
127.08706	2.4
128.07065	9.1
132.08089	1.3
134.06004	1.3
134.09642	0.8
136.07564	11.0
137.05991	0.4
138.05476	1.1
138.09134	18.0
139.08655	5.1
140.07059	4.1
144.04469	2.0
144.08014	0.6
146.05988	11.5
146.09656	0.8
147.11676	1.1
148.07559	6.9
150.05502	0.7
150.09140	4.6
152.07066	8.9
160.03981	0.7
160.07593	1.7
162.05536	1.2
164.07060	6.1
164.14398	0.8
166.08626	39.5
166.15936	0.9
172.03932	10.9
172.05360	1.0
172.07520	0.6
173.73912	0.5
174.05522	0.6
174.09140	0.9
176.07048	1.0
182.08179	1.6
182.15395	31.8
184.07578	0.5
184.09929	0.6
190.04959	8.8
192.06541	0.7
192.13905	1.1
197.10732	1.3
198.11581	1.8
199.12268	1.1
200.06979	0.6
204.04636	0.9
204.06538	15.4
204.08360	0.8
205.06960	0.6
206.08203	0.8
208.09892	0.6
209.10835	1.2
209.16479	28.6
210.11560	2.4
210.14870	36.8
211.08638	0.5
211.12302	4.3
212.13075	1.2
218.08084	2.1
220.09688	0.8
221.10757	0.8
222.11635	0.7
223.08723	0.7
223.12256	3.4
224.09329	0.6
224.13112	1.2
225.10257	3.7
225.13910	1.1
226.10876	2.7
226.19106	5.4
227.11749	2.6
227.17543	2.9
228.15877	3.0
235.08664	1.6
235.12303	1.4
236.09427	2.0
236.13123	0.6
237.10245	5.0
237.13892	1.6
238.10995	4.8
239.11784	7.3
240.12581	0.8
241.13385	1.4
246.07607	1.2
247.12358	0.6
248.09535	2.0
249.10178	7.0
250.10962	4.3
251.08180	0.9
251.08937	0.9
251.11780	9.2
252.09023	1.5
252.12538	2.7
253.09811	1.5
253.13397	4.6
254.10698	0.5
255.11382	1.7
256.12039	1.0
257.12811	1.7
259.14465	1.0
262.07129	1.0
262.11044	1.3
263.11768	16.5
264.08936	1.7
264.12546	4.2
265.09799	3.3
265.13391	8.5
266.10526	3.2
266.13718	0.7
267.11276	6.6
267.14575	0.6
269.12766	4.0
271.11057	1.0
271.14398	2.2
273.12305	3.6
275.11807	1.2
276.08722	1.0
277.09744	2.0
278.10403	3.4
279.11252	16.6
280.11990	1.9
280.52332	0.5
281.12851	8.1
282.09967	1.7
283.10791	3.0
283.14322	1.2
284.11633	1.7
285.12314	10.2
287.14008	2.6
291.11237	14.8
292.11954	3.7
293.09485	0.8
293.12799	13.1
294.09973	0.6
295.10776	2.9
295.13922	0.6
296.11575	1.9
297.12314	26.9
298.12952	2.8
299.13882	14.5
305.09149	0.7
305.14954	1.6
307.10815	1.5
308.27036	0.8
309.12308	16.1
309.25415	1.3
310.13043	1.4
311.10266	1.8
311.13962	5.9
313.12024	0.7
313.15546	0.6
315.13358	17.8
316.13953	0.6
319.10715	10.8
321.12332	3.6
323.10312	4.0
323.16245	1.1
324.10938	0.6
325.11804	19.7
326.12476	1.2
326.27951	6.1
327.13358	3.7
335.24390	0.7
336.22794	2.2
337.11795	51.6
338.12091	1.5
339.13464	3.5
341.11261	2.3
343.13016	3.4
343.30627	1.9
344.17450	0.5
351.13498	0.7
355.13037	1.9
356.13876	0.6
357.14392	6.3
358.15268	0.6
362.18979	0.6
369.14459	3.5
370.15317	0.8
371.16083	0.9
372.17218	0.6
373.13748	2.5
376.20239	0.5
382.12048	0.6
388.16260	0.6
390.17969	0.9
398.15091	0.8
399.15674	0.9
401.13391	5.2
401.17670	0.5
402.18283	1.1
404.19879	1.3
416.15512	0.9
418.17358	0.6
420.18884	0.6
422.20889	1.0
430.17526	1.7
432.19272	1.3
435.33249	2.2
436.31970	0.9
438.20065	0.6
440.15979	0.6
444.19156	1.0
446.16516	1.4
446.20999	2.2
448.18832	1.6
449.19608	2.8
450.20105	4.6
452.35922	2.2
453.34390	1.7
458.17242	1.4
462.20264	4.7
464.21976	39.8
465.22189	1.8
466.23450	0.8
472.18411	2.4
474.20233	0.6
476.18201	4.6
478.19919	1.0
482.19220	2.6
490.19693	60.9
491.20065	3.7
492.21344	2.1
493.22015	0.8
494.19144	0.8
508.20911	4.7
514.21936	1.5
522.22333	33.2
523.22839	2.9
526.22131	0.8
552.44806	1.1
585.26172	0.6
587.24713	2.4
603.28174	1.4
611.24969	6.8
619.27625	0.8
629.25867	6.9
643.27557	0.6
647.27032	17.2
648.27832	0.8
661.41455	0.3
661.50000	14.6
679.30524	2.8
679.51086	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.2962
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25197	0.9
55.05500	1.7
56.88826	1.0
60.47695	0.9
62.29180	1.0
67.05504	1.7
69.07050	0.9
69.83016	2.5
69.83440	4.0
70.06578	2.9
73.81059	0.9
77.59613	0.9
79.05473	2.7
79.87968	0.9
80.05036	0.9
81.40682	0.9
82.06559	2.3
84.08162	1.3
86.09682	1.4
91.05483	2.7
93.05785	1.8
93.07043	5.7
94.06558	8.2
95.04971	1.5
95.07344	5.3
96.08121	14.7
97.06521	1.5
100.11264	5.5
103.05473	1.9
106.06521	4.6
108.04448	1.2
108.08092	18.7
109.08832	1.1
110.06016	1.9
110.09663	25.8
120.04465	3.5
120.08079	17.6
122.06016	8.0
122.09642	1.6
124.07583	12.5
131.04948	1.1
132.04649	1.0
132.08029	1.5
134.05998	3.1
134.09637	2.1
136.07559	19.8
137.05942	4.6
138.09132	34.3
140.07045	1.9
144.04440	3.1
146.05988	19.1
146.09668	2.3
148.07568	11.3
149.06012	1.3
150.09135	8.7
151.07475	1.2
152.07056	14.0
160.07558	2.3
161.05931	2.4
162.05498	3.4
163.07607	1.4
164.07082	9.3
166.08617	76.0
167.09061	1.4
172.03922	19.0
174.05470	1.3
174.09143	1.1
175.07504	2.0
176.07133	3.2
182.08151	2.5
182.15427	1.8
190.04970	16.9
190.06648	1.3
192.02467	1.1
197.10715	2.6
198.11447	4.9
199.12303	1.3
204.06548	30.6
209.10915	2.0
209.16467	1.4
210.11458	4.0
210.14891	2.2
211.12244	6.9
212.12935	1.3
213.13808	1.1
218.08055	3.9
221.10699	1.7
222.11407	1.6
223.08611	1.3
223.12225	8.0
224.09308	1.6
224.12988	2.1
225.10239	7.2
225.13750	2.0
226.10966	4.5
227.11784	6.5
235.08650	2.4
235.12318	2.1
236.09421	3.9
237.10263	8.7
237.13835	2.2
238.10992	7.2
239.11729	13.8
240.12344	1.6
241.13373	1.3
246.07582	2.0
248.09454	3.1
249.10191	13.9
250.10928	10.5
251.07988	1.6
251.08925	1.2
251.11748	18.9
252.08685	2.0
252.12587	4.7
253.09604	2.4
253.13313	6.3
254.13895	1.2
255.11263	2.2
256.12033	3.7
257.12918	3.1
259.14343	1.9
262.11063	1.8
263.11777	31.3
264.09247	1.9
264.12527	8.6
265.09665	4.9
265.13330	18.1
266.10385	4.4
266.13412	1.0
267.11301	11.0
267.14105	1.6
268.12119	1.3
269.12778	5.6
271.10764	1.8
271.14407	5.0
273.12289	4.2
275.11823	1.5
276.08746	1.3
277.09601	4.1
277.12872	1.5
278.10468	3.4
279.11264	30.5
279.14267	2.1
280.11932	4.4
281.12817	14.6
282.10028	1.5
283.10715	4.9
283.14142	2.3
284.11493	3.7
285.12305	17.8
287.13815	3.8
291.11264	23.6
292.12015	5.3
293.12823	26.9
295.10754	5.4
295.14020	1.8
296.11490	3.7
297.12305	50.1
298.12842	6.0
299.13892	25.2
304.08380	1.5
305.14890	2.8
307.10599	2.8
309.12280	31.9
310.12903	3.0
311.10196	2.6
311.13684	12.1
313.12009	1.5
315.13345	27.6
316.13968	2.1
318.15750	1.4
319.10721	21.8
321.12241	6.7
323.10245	7.7
323.16208	2.1
325.11765	31.8
326.12167	1.6
327.13327	6.6
329.14539	1.1
337.11786	100.0
338.12149	3.8
339.13293	3.9
341.11414	3.2
343.12872	5.5
346.19345	1.1
355.13052	2.6
356.13885	1.6
357.14304	10.8
358.15689	1.1
369.14380	7.8
370.15298	1.8
371.16092	2.9
373.13901	4.2
390.18076	1.3
398.14618	1.1
399.15714	1.6
401.13318	5.7
402.18094	2.6
404.19836	2.7
416.15778	2.1
417.16388	1.6
418.22043	1.4
420.18793	1.7
422.20999	2.0
430.17575	3.0
432.19104	3.9
444.19424	1.7
446.20850	4.4
448.18521	2.4
449.19586	4.1
450.20428	6.1
458.17133	2.7
462.20248	7.3
464.21927	58.4
465.22314	2.6
466.23080	1.6
472.18796	3.3
474.20618	1.5
476.18066	7.3
478.19928	1.6
482.19196	3.0
490.19678	99.5
491.19995	8.6
492.21249	4.0
494.19391	1.8
504.37573	1.3
508.20810	10.3
514.21851	2.7
522.22308	52.5
523.22852	6.0
587.24731	2.9
593.24304	1.4
603.27606	1.5
611.25140	10.4
629.25891	10.8
647.27045	28.5
648.27490	2.4
679.30371	5.4
679.51599	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	679.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22218	0.3
52.29457	0.2
61.19676	0.2
70.96400	0.5
74.02418	0.4
91.05473	0.9
94.23107	0.2
110.68098	0.2
115.05447	0.9
117.05760	0.8
117.07005	0.9
118.06526	15.9
130.06488	1.4
132.08084	4.9
142.06499	1.8
143.07291	1.9
144.04373	0.3
144.08066	11.1
145.06372	0.3
146.05989	58.2
147.06334	0.8
159.09161	6.2
160.07529	0.9
170.05983	3.7
188.07043	100.0
189.07385	2.1
205.09700	40.9
206.10014	0.9
221.17870	0.2
228.84787	0.3
313.88498	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.3733
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.6
55.01861	1.7
55.05505	12.2
57.03443	7.7
57.07075	3.3
61.02921	19.3
64.67550	1.3
65.03926	4.2
67.05496	79.0
69.03429	3.1
69.07066	13.5
71.04985	2.6
71.75003	1.6
73.02893	7.4
75.04467	1.9
77.03915	1.2
79.05486	40.2
81.03409	2.7
81.07046	88.4
83.04961	2.8
83.08609	6.6
85.02902	19.3
85.06539	3.5
91.03957	18.0
91.05467	23.4
93.06444	2.7
93.07033	55.4
95.04969	3.7
95.08596	61.5
97.02874	8.7
97.06490	3.0
97.10154	4.5
99.04491	2.2
99.08092	3.6
101.02339	1.4
105.07018	18.5
107.08577	43.2
109.06497	1.4
109.10139	40.0
111.08080	4.0
111.11715	2.2
113.09626	1.7
115.04045	1.3
117.06998	10.4
119.08566	17.9
121.10130	36.7
123.11683	18.7
125.09616	1.8
127.03905	5.6
131.08549	19.5
133.10117	15.6
135.11676	27.3
137.09634	1.7
137.13222	8.8
139.11232	1.7
145.04955	7.4
145.10104	16.5
147.11682	13.0
149.13232	23.3
151.11205	2.3
151.14803	2.7
153.12701	1.8
159.11665	16.0
161.13246	13.8
163.06012	11.9
163.14809	15.6
165.12683	3.2
173.13260	19.6
175.14810	3.8
177.12823	2.1
177.16319	6.3
179.14354	3.3
187.14792	10.7
189.16336	1.7
191.14346	2.7
201.16389	4.3
205.15964	1.6
205.58862	1.3
215.04253	1.3
215.17769	1.3
219.17393	2.9
233.22664	2.7
243.21071	36.1
244.21498	1.8
261.22119	100.0
262.22467	3.3
269.15472	1.3
275.20084	1.3
279.23148	5.1
316.64093	1.2
335.25745	36.6
336.26080	2.3
353.26797	32.6
497.30927	7.2
677.35510	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	677.3731
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.1
53.97258	0.8
55.01861	1.0
55.05506	11.5
57.03422	4.3
57.07064	3.1
61.02920	18.0
63.75095	1.0
67.05499	52.0
68.05815	0.9
68.54278	0.8
69.03403	2.7
69.07058	10.5
70.01808	2.1
70.02225	3.3
70.86741	0.8
71.04987	1.7
71.08649	1.2
72.08128	1.1
73.02903	7.5
79.05487	37.2
81.03397	1.6
81.07047	53.4
82.38877	1.0
83.08617	5.5
85.02895	21.3
85.06528	1.9
91.03948	18.2
91.04918	1.4
91.05468	20.0
93.07035	46.2
95.04922	2.1
95.08600	47.6
97.02878	9.4
97.06508	3.1
97.10146	2.8
99.04448	1.3
99.08084	1.7
105.07017	16.0
107.08583	27.3
109.06490	2.2
109.10147	27.0
111.08022	1.3
115.03986	1.3
117.06984	8.6
119.08584	9.3
121.06454	0.9
121.10133	24.0
123.08028	2.1
123.11703	13.6
125.09599	1.6
127.03902	7.4
127.11094	1.0
129.07007	1.0
131.08563	16.3
133.10120	10.6
135.11684	19.0
135.85959	1.0
137.09586	1.5
137.13223	4.5
139.11191	1.0
143.08560	1.0
145.04964	9.3
145.10114	9.9
147.11687	8.1
149.13242	16.7
151.11162	1.3
151.14819	2.0
153.12730	1.5
159.11670	12.1
161.13245	7.6
163.06010	14.5
163.14813	12.1
165.12767	2.0
173.13261	12.6
175.14803	2.8
177.12741	2.1
177.16351	3.7
179.14291	1.4
187.14761	5.9
191.14331	1.1
201.16377	2.9
203.17989	1.0
205.15883	1.1
215.17882	1.4
233.22498	1.7
243.21065	23.7
256.79352	1.0
261.22125	76.7
262.22385	2.3
263.23648	1.3
277.21619	1.1
279.23111	1.6
302.12411	1.1
335.25778	11.0
353.26797	20.9
429.15427	2.2
430.16290	4.7
431.16962	1.5
441.15573	1.1
442.16464	1.4
443.17163	5.6
444.17874	5.1
445.18719	24.2
446.18814	3.7
453.15503	1.1
454.16385	2.2
455.17004	4.1
456.17664	3.1
457.18845	4.5
458.19470	4.6
459.20102	2.8
466.16455	1.2
467.17429	1.1
468.18307	4.3
469.14008	0.8
469.18881	10.2
470.19693	5.3
471.16708	8.3
471.21329	1.7
481.18790	1.4
482.19272	2.7
483.20218	1.5
485.17856	2.8
486.18954	3.7
487.19650	1.7
496.20245	1.2
513.21094	1.3
515.15424	1.2
529.20831	3.0
530.21429	1.4
531.22382	1.3
541.03320	1.1
541.13318	1.7
541.20819	15.1
542.21082	2.8
545.23425	1.6
573.23022	6.2
611.50061	0.9
617.22400	100.0
618.22656	24.0
645.21887	61.5
646.22058	14.7
650.21375	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.3711
Annotation	Unknow
Peak:m/z	Relative Intensity
58.62299	0.3
69.50935	0.4
69.68729	1.6
69.69141	1.0
70.06573	0.9
88.07615	0.6
93.07014	0.4
98.21120	1.6
105.03396	0.7
110.57717	0.4
112.41908	0.4
149.02321	1.4
184.07339	0.5
185.04274	0.9
186.98659	0.4
193.04968	1.4
203.05222	2.1
215.53142	0.4
243.49858	0.4
256.26358	1.6
259.07959	1.9
296.09048	0.4
306.95261	0.5
347.09360	1.8
365.10498	2.7
421.13184	1.6
515.31836	21.8
516.32227	0.9
589.74109	0.4
677.37122	100.0
678.07465	1.8
678.37500	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	677.2814
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.7
54.79642	3.8
55.01863	4.5
55.05496	9.2
59.04999	4.3
65.03937	4.4
65.94007	3.5
67.05487	17.2
69.03404	6.9
69.07071	6.7
70.06580	16.2
71.04975	8.8
71.73434	3.4
72.08135	4.8
79.05491	18.6
81.03403	9.8
81.07052	25.7
82.06582	6.9
82.07388	4.7
83.08593	7.8
84.08121	5.4
85.02888	11.6
85.06542	3.6
86.09700	4.7
86.52414	2.9
89.06010	4.7
91.05456	19.3
93.07030	26.8
94.06576	22.0
94.43455	3.2
95.04977	10.0
95.07340	19.3
95.08615	27.0
96.08122	41.7
97.02881	5.3
97.06519	7.3
97.10155	3.9
99.04414	4.0
99.08083	4.9
103.03977	4.2
103.05462	5.8
105.07006	8.8
106.06557	4.5
107.04945	3.6
107.07320	3.7
107.08566	10.6
108.04483	10.3
108.08112	52.5
109.02857	7.2
109.10152	7.9
110.06006	5.2
110.09672	66.2
116.07050	4.3
118.06496	3.8
119.08559	3.4
120.04448	5.5
120.08100	48.2
121.06470	4.7
121.10149	4.2
122.06007	11.9
122.09633	5.6
123.11640	4.4
124.07577	6.4
126.05521	3.6
131.08530	4.7
133.10156	4.6
134.05969	6.6
135.95482	3.7
136.07564	33.1
137.05956	12.7
138.09125	74.0
139.03963	3.4
144.04501	5.2
145.10075	6.4
146.48656	3.2
147.04366	4.8
147.11717	3.2
148.07553	18.9
150.09132	3.4
151.03897	3.6
151.07539	4.9
152.07068	5.1
155.14304	5.1
157.10120	4.0
159.11732	4.3
160.07538	4.1
161.06036	3.5
161.09431	4.9
163.03795	3.1
163.07565	5.2
163.11082	3.8
164.07010	8.6
166.08626	68.4
167.07153	3.0
172.03931	4.1
175.07356	4.0
187.08638	4.2
197.07039	4.1
199.08650	10.6
201.10245	5.8
204.06578	10.3
211.08664	10.7
212.09410	8.0
213.06500	19.8
213.10207	9.7
214.08501	4.8
215.08217	4.1
222.11601	4.7
223.08691	5.1
223.12379	4.4
224.09373	6.2
225.06668	16.5
225.10191	16.1
226.08829	3.4
226.10947	5.5
227.08188	6.4
227.11836	7.6
229.09863	3.4
235.08612	5.6
236.09384	6.0
237.10175	21.9
239.08067	9.5
239.11777	11.1
240.12553	6.6
241.09766	8.3
241.13397	4.3
243.11259	6.5
249.10266	25.9
250.11046	9.2
251.08185	20.1
251.11867	17.8
252.12512	6.2
253.09700	12.9
253.13396	12.2
255.11266	8.3
257.12854	4.8
259.10669	18.7
263.08267	5.8
263.11765	11.5
264.08771	4.8
265.09668	14.6
265.13242	4.4
267.11276	14.0
269.09131	5.6
269.12823	10.4
271.10703	5.0
271.14362	8.7
277.09683	6.5
279.11197	13.0
281.09290	3.9
281.12732	6.0
283.10831	16.0
285.12335	11.2
291.11188	5.7
293.09161	6.9
295.10794	10.7
297.12460	8.0
299.05499	4.8
299.13974	4.7
300.11597	4.8
301.11923	14.6
302.12900	6.2
303.13333	5.4
305.08972	3.2
309.07791	6.4
309.12155	15.7
311.10217	9.7
311.13638	6.6
313.12094	10.9
314.12799	6.0
317.11826	4.0
318.12460	5.1
319.12900	16.2
323.10345	11.7
325.11682	5.0
326.12830	4.0
327.13422	12.5
329.11282	7.4
330.12341	10.6
330.15930	3.8
332.14001	5.2
341.11234	5.7
342.12186	9.6
343.13193	8.6
344.13959	11.5
355.12897	7.9
356.13815	8.6
357.14703	7.2
358.15594	8.1
359.16428	4.7
361.14459	4.3
363.08566	4.8
363.16208	6.6
369.14682	5.3
371.12479	10.0
372.17059	6.2
373.14008	12.8
382.15619	6.8
384.17166	4.6
386.14902	10.1
387.15805	7.1
388.16870	7.8
389.13510	15.4
400.16751	18.3
401.13589	7.5
403.16052	5.2
415.15063	6.6
416.16196	24.4
417.16296	4.4
418.17560	14.3
428.16055	14.3
430.17621	8.9
434.16998	19.4
436.18335	4.5
438.15042	5.0
441.11780	5.7
444.15335	36.0
446.17044	24.5
452.18253	6.3
456.15848	18.1
462.16492	65.8
464.17767	4.4
474.16611	66.3
476.18121	5.9
480.17700	50.2
492.17261	24.4
494.19202	37.8
506.19238	41.0
508.20834	4.1
512.20215	97.1
515.27771	12.2
524.20270	78.2
581.23297	6.5
591.23779	5.8
599.24976	20.3
609.23315	29.9
627.24396	100.0
641.25989	45.0
645.25653	41.4
659.26752	48.3
677.31976	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	677.2805
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58100	0.8
51.21157	0.8
53.03941	1.0
55.01865	1.6
55.05513	5.5
57.07063	3.7
59.04985	2.5
61.01148	1.8
61.02935	1.2
65.03948	0.8
67.05495	3.9
69.03409	2.8
69.07063	16.5
70.06596	3.9
70.07395	1.1
70.70214	2.7
71.04995	1.0
71.22212	0.8
72.04503	2.6
72.08137	2.3
75.77274	0.7
78.03770	3.5
78.14415	0.7
79.05492	3.6
81.03417	2.9
81.07043	11.1
82.07360	1.1
83.05003	0.8
83.08611	7.5
84.04497	6.1
84.08115	1.5
84.08927	1.1
85.02885	4.1
85.04798	0.8
85.06561	1.9
88.02179	1.0
89.06008	6.4
91.05463	3.9
92.09936	0.7
93.07028	3.5
94.06516	1.2
95.04952	2.4
95.08594	6.4
96.08132	1.6
97.02879	2.3
97.06525	1.1
97.10163	1.4
99.04441	1.1
99.08092	1.0
102.03758	6.7
103.07567	1.0
105.07005	3.1
107.04981	0.9
107.08597	3.1
108.08081	2.0
109.02845	1.5
109.06487	1.4
109.10155	3.5
110.09666	2.4
116.07113	1.3
117.07011	1.3
119.08576	2.0
120.04536	1.1
120.08067	2.2
121.10097	0.9
122.09715	1.3
123.08042	1.4
123.11707	1.7
124.07626	1.2
125.13290	2.1
127.03917	2.8
130.04987	2.8
131.06358	3.6
131.08536	0.9
132.04765	3.1
133.08565	5.3
133.10117	1.7
135.07951	1.0
136.07564	1.5
137.05939	1.6
138.09122	2.3
145.04968	0.8
145.06557	1.2
145.10054	1.4
146.06004	1.0
147.11607	1.1
148.06184	0.8
148.07574	2.8
149.07431	39.1
150.09099	1.4
153.06891	3.8
157.10095	1.4
162.02217	0.7
166.08604	2.9
166.52205	0.7
167.04906	1.9
172.03859	2.0
175.07489	1.3
177.11192	2.1
178.11571	0.8
179.10641	0.9
180.06671	1.3
181.06470	14.8
184.09750	0.9
186.78342	0.7
187.07471	1.0
190.05064	1.1
190.15915	1.0
195.09196	1.0
196.09958	2.5
197.10759	1.0
201.18500	2.3
202.18881	0.9
204.06636	1.5
207.09209	2.3
208.09834	1.2
210.07884	1.3
211.08662	2.1
211.12372	1.2
212.09160	2.4
212.10661	5.6
213.05397	0.9
213.10164	2.2
215.08192	0.8
221.10638	1.1
223.08684	1.7
223.12164	1.3
224.09486	2.1
225.10255	7.9
226.10933	1.5
227.11739	6.4
233.10632	1.0
234.07907	0.9
235.08664	4.6
236.09393	1.9
237.05443	100.0
237.10298	3.4
238.05730	3.1
238.10904	0.9
239.08017	1.3
239.11763	7.1
239.14769	1.7
240.08739	1.0
240.12604	4.9
241.09770	9.7
241.13318	23.2
243.11328	1.4
248.09273	1.3
249.10239	7.9
250.10892	1.8
251.08154	4.6
251.11913	4.0
253.09668	3.7
253.13367	1.6
254.10677	2.1
254.14169	1.5
255.11218	1.9
259.10809	2.1
261.10025	1.4
261.12637	13.0
263.08121	3.2
263.11597	0.8
264.08859	2.4
265.09717	2.2
266.10666	1.2
267.08063	1.7
267.11267	12.3
267.14517	1.3
269.09125	2.9
269.12814	1.7
271.10730	5.7
271.13553	1.0
275.19995	1.0
276.20453	1.0
277.09686	7.6
278.06805	1.3
278.10388	2.6
279.11215	5.6
279.13892	1.7
281.09152	5.3
281.12497	1.1
285.12338	10.9
287.10495	1.0
288.19418	1.2
291.07626	1.9
292.08432	4.7
295.10712	3.2
296.07806	1.7
297.12253	2.2
297.19028	1.5
298.04572	1.0
299.05441	1.2
299.10385	1.4
301.11743	3.1
305.09164	7.8
307.10660	3.1
309.08670	2.2
310.09326	3.1
311.09955	0.9
313.11798	2.0
319.12982	2.5
323.10242	20.2
325.11807	2.1
328.10529	2.1
328.21213	0.8
333.08798	1.9
341.11240	5.4
342.24829	1.0
343.12555	0.9
351.09680	18.6
353.06931	1.0
355.12772	1.2
369.06415	1.1
369.10822	16.4
371.16306	0.9
373.13828	2.7
374.14816	0.9
383.12341	24.3
385.12076	3.9
387.11850	1.4
401.13397	8.1
417.12784	0.9
434.17203	1.5
438.20322	1.2
446.16980	2.5
451.31454	2.5
480.36279	1.2
497.17340	1.7
497.29800	0.9
514.29291	1.8
515.30365	5.2
557.20404	1.3
581.23926	1.9
583.24945	1.1
591.21875	3.5
599.24695	4.4
601.26587	0.9
609.23334	8.2
627.24359	9.7
628.25018	2.4
641.26215	11.3
642.25208	1.0
645.25452	3.1
659.26648	8.0
677.28101	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	677.2814
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	2.8
55.05505	6.6
59.04996	2.5
65.03922	2.5
67.05503	14.7
69.03423	5.9
69.07058	7.5
70.06574	8.2
70.54079	3.8
70.54433	7.8
71.04969	5.7
72.08166	3.3
75.70509	1.8
79.05489	6.2
81.03401	6.0
81.07054	20.8
83.04977	10.1
83.08613	4.7
84.08141	2.9
85.02877	7.2
85.06525	4.6
86.09693	4.1
89.06044	4.8
91.05472	8.5
93.07030	9.9
94.06581	3.7
94.81470	2.3
95.04954	5.1
95.07317	3.1
95.08605	15.8
96.08111	3.8
99.04459	2.5
101.74717	2.0
105.07018	8.7
107.08587	5.8
108.08105	6.4
109.06501	4.9
109.10140	6.0
110.09682	3.6
112.03951	1.9
116.07100	2.1
117.07057	2.0
118.06556	4.4
119.08555	6.2
120.08099	9.5
121.06499	2.9
121.10120	5.6
122.06001	3.2
122.09684	3.2
123.11697	5.3
127.03913	4.7
130.80339	2.1
131.08563	4.1
133.08577	3.7
133.10115	5.7
134.06027	2.2
135.08006	3.3
135.11671	3.1
136.07561	5.6
137.05952	6.3
137.13219	2.9
138.05463	3.3
138.09126	9.1
145.10150	3.4
146.06030	4.3
147.04417	2.4
148.07544	3.2
149.13165	2.6
151.07509	5.8
155.14314	3.1
162.05434	2.6
164.07155	2.3
165.09082	4.2
166.08638	8.8
172.03946	4.4
180.06636	5.0
180.08055	2.5
182.08328	2.2
183.09181	3.1
190.04964	3.6
193.07552	2.8
195.09265	6.9
196.09923	8.7
197.10719	5.8
198.11475	2.6
199.08598	4.5
199.14847	2.6
204.06519	4.2
206.08328	5.2
207.09200	6.9
208.09891	4.6
209.10616	3.2
210.07777	3.6
211.08641	9.5
211.12369	3.4
212.09215	11.1
212.11035	27.5
213.10168	10.1
221.07054	3.2
221.10754	6.5
222.07568	4.5
223.08646	7.8
223.12238	6.7
224.09399	9.7
225.10237	28.3
226.10733	10.1
227.08247	4.7
227.11758	26.1
229.13603	2.7
233.10811	2.8
234.07780	4.2
235.08644	14.1
236.09468	8.1
237.10194	13.7
238.10957	5.4
239.08165	7.2
239.11754	25.7
240.08888	4.5
240.12552	19.4
241.09698	47.0
241.13361	96.8
243.11447	3.0
243.14926	4.7
248.09348	4.5
249.10217	38.2
250.07285	3.6
250.10994	8.7
251.08115	23.4
251.11775	16.0
253.09666	9.3
253.13463	3.3
254.10388	12.5
255.11290	5.6
257.09140	3.2
257.12830	2.9
261.10196	4.2
263.08136	18.2
264.08890	8.4
265.09674	8.4
266.10489	4.4
267.08023	3.7
267.11237	50.2
267.13904	3.9
268.12051	3.9
269.09213	10.9
269.12787	6.1
271.10757	28.1
271.13925	4.2
277.09689	36.9
278.06970	5.2
278.10440	10.9
279.11252	22.9
281.09201	25.4
281.12329	3.7
282.10040	3.8
283.10693	6.9
284.11688	3.2
285.08813	3.9
285.12277	50.0
290.10825	2.7
291.07486	12.5
292.08420	16.9
293.09155	4.6
295.07220	2.8
295.10791	11.8
296.07892	7.6
296.11221	3.0
297.07785	2.3
297.12268	7.2
299.10217	9.9
299.13559	2.6
300.11063	3.1
301.11877	10.3
303.13385	3.6
305.09174	34.0
307.10696	11.3
309.08594	7.5
309.11996	4.0
310.09375	12.9
311.10208	5.1
313.08325	4.2
313.11844	6.3
319.12921	2.4
323.10211	88.4
324.10956	3.3
325.11673	9.5
328.10526	12.0
333.08658	8.7
341.11237	27.1
343.13165	2.9
351.09738	79.4
355.13040	4.1
357.14450	3.0
359.12347	3.0
365.11554	2.4
369.10779	72.6
370.11041	3.2
371.12140	2.5
373.13898	20.4
380.84442	2.5
383.12347	100.0
387.11743	4.7
389.13605	5.2
400.16992	3.8
401.13385	39.9
416.16061	3.5
420.19171	2.9
434.16965	4.0
436.18390	2.5
438.20313	4.0
446.16864	4.4
506.19031	2.4
512.20319	2.5
565.24286	4.5
581.23608	4.2
583.25208	8.2
591.22186	12.8
599.24506	7.9
609.23352	33.9
610.23578	3.2
627.24646	26.7
628.24811	10.7
641.26025	50.3
642.26428	2.6
645.25043	8.2
659.26764	32.9
677.27777	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	677.2815
Annotation	Unknow
Peak:m/z	Relative Intensity
64.77445	1.4
66.84451	1.2
67.05482	3.8
69.01833	1.1
69.03426	2.0
69.07045	2.8
69.97036	5.2
70.06578	5.4
70.24789	1.5
71.04976	1.8
73.02916	1.4
79.05483	4.4
80.05000	1.8
81.03396	1.9
81.05765	1.7
81.07056	3.0
81.99905	1.5
85.02888	2.9
86.09689	2.6
88.10521	1.5
89.03921	2.0
89.06000	1.5
91.05450	3.6
93.07034	5.3
94.06539	9.9
95.04942	2.1
95.07327	5.6
95.08592	4.0
96.08125	10.8
97.06493	2.5
103.03916	2.0
105.07000	2.5
108.04456	4.9
108.08105	18.5
110.09667	20.6
115.18120	1.5
116.04979	3.7
116.07076	1.4
118.06503	1.9
120.04452	3.5
120.08099	17.3
122.06033	6.5
122.09658	1.6
124.07582	10.8
131.04884	1.3
133.08534	1.4
134.05992	2.9
136.07556	18.2
137.05968	3.2
138.05470	2.1
138.09123	23.4
144.04453	5.7
146.05962	6.7
148.07541	8.5
150.09123	2.1
152.07034	2.4
160.03946	2.6
162.05498	4.5
164.07065	6.7
166.08620	26.6
172.03906	23.8
174.05492	1.6
176.07054	5.2
185.10727	1.8
190.05000	17.3
197.10689	2.9
199.08673	2.8
201.06580	1.3
204.06554	36.3
209.10759	2.4
211.08586	3.2
211.12306	1.4
212.09384	2.0
213.08014	1.3
213.10217	5.1
215.11731	3.3
221.10768	2.0
224.09367	2.5
225.10213	7.1
226.11047	1.4
227.08127	4.2
227.11842	4.6
233.10684	1.6
235.08626	6.0
236.09367	7.0
237.10191	10.9
238.10928	9.8
239.11731	5.8
240.08865	3.7
241.09706	12.6
241.13408	4.6
243.11252	12.3
247.08693	4.1
248.09494	6.4
249.10204	17.0
250.10994	16.1
251.11758	12.9
253.09694	7.3
253.13045	2.2
254.10474	3.6
255.11281	3.3
256.11960	2.5
257.12799	1.6
261.10184	7.7
262.11032	4.5
263.08200	4.3
263.11734	31.0
264.08902	4.0
264.12405	2.4
265.09717	8.6
265.13406	2.1
266.10461	1.7
267.11200	7.8
269.09256	3.7
269.12888	3.3
270.09616	1.4
271.10712	3.7
273.12238	6.8
277.09689	5.8
278.10431	2.8
279.11267	32.6
280.11847	2.1
281.09134	5.0
281.12759	3.2
282.09824	3.9
283.10699	7.9
285.12320	27.4
287.10248	6.6
287.14096	1.8
289.09570	2.0
291.11151	8.8
292.12091	2.3
293.09076	1.9
293.12701	3.3
295.10791	7.5
295.13635	1.5
296.11493	2.0
297.12311	13.0
299.10257	10.7
299.13907	3.8
300.11118	5.3
301.11871	4.8
302.12766	2.3
303.13364	21.0
304.14188	1.8
307.10834	9.9
309.12256	11.7
312.11108	1.6
313.11868	10.7
314.12866	1.9
314.16357	2.6
315.13556	1.9
316.11063	2.2
319.10754	2.3
321.11981	1.8
323.10208	10.1
323.13895	4.0
325.11758	32.3
326.12595	1.9
327.13553	2.5
328.14417	3.2
329.14966	2.6
330.12418	2.4
330.15988	2.2
335.10278	8.9
337.11765	14.4
339.13287	1.8
340.14151	1.9
341.11322	4.4
342.15927	2.6
343.13000	8.3
344.13925	3.6
346.15366	2.4
347.16251	2.1
349.11435	1.6
353.11197	2.1
354.12347	2.0
355.13004	12.5
356.13828	3.4
357.14468	17.9
358.15723	7.1
367.12842	17.9
368.13376	2.6
369.14758	6.3
370.15381	3.9
371.12448	1.7
372.13446	3.6
373.13950	30.9
374.14969	3.3
382.15506	1.7
383.12387	3.7
384.17419	2.2
385.14618	3.0
386.14941	11.1
387.15549	2.3
396.13477	3.2
401.13373	4.9
402.14117	3.0
403.18738	4.2
404.15747	3.4
406.17743	3.0
410.15149	3.0
414.14246	9.3
415.15237	21.8
416.15796	3.0
420.15427	2.5
428.15970	5.0
430.17340	3.9
432.15082	12.5
438.14822	2.3
444.15564	2.0
446.16806	4.0
456.15607	7.6
460.18585	2.3
462.16321	14.1
474.16586	37.8
475.16611	1.8
476.18130	5.1
488.18057	6.9
492.17422	2.4
494.18921	2.6
506.19122	10.8
512.20197	3.3
520.20764	100.0
521.21429	7.2
522.22321	37.7
523.22906	2.0
530.21643	2.2
538.21655	5.2
568.24298	1.8
581.23828	2.6
583.25360	2.7
585.23932	7.6
599.24567	4.5
609.23260	12.3
627.24408	83.9
628.24359	4.8
641.26013	6.5
645.25494	3.8
659.26886	5.3
677.26215	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	677.2813
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.2
55.05484	1.4
58.81070	0.9
59.04988	3.1
62.61617	0.9
65.02672	1.1
65.94726	0.8
67.05501	1.8
68.33450	1.0
69.07051	1.5
69.58160	8.2
69.83178	0.9
70.06575	4.2
72.08145	1.4
73.14358	0.9
79.05481	4.5
80.05000	1.9
80.61506	0.9
81.05778	1.2
81.07063	1.8
82.06566	2.7
84.08139	1.3
85.02891	1.5
86.09679	1.3
87.04497	1.2
89.06012	3.2
91.05475	2.9
93.05759	1.3
93.07018	4.6
94.06558	8.2
95.04942	2.1
95.07334	3.4
95.08565	1.3
96.08119	10.2
97.02859	1.0
97.06506	1.6
97.10130	1.1
101.40751	0.9
103.05461	1.4
105.07045	1.7
106.06553	2.3
107.07345	1.4
107.08599	1.6
108.04453	3.3
108.08104	15.0
109.10118	1.1
110.09667	17.5
116.04987	2.6
116.07087	1.3
118.06540	1.6
119.08582	1.0
120.04443	5.2
120.08095	13.3
122.06017	5.7
124.07603	10.5
128.70152	1.0
131.04886	1.5
133.08614	1.3
134.06003	3.3
136.07567	13.6
137.05981	2.1
138.09123	18.5
144.04482	6.7
145.10161	1.1
146.06009	6.1
148.07550	7.0
150.05565	1.2
152.07068	4.7
160.03931	3.7
160.07574	1.1
162.05490	6.1
163.06177	1.7
164.07051	3.4
166.08623	18.0
167.07059	2.0
168.07982	1.0
170.09491	1.4
172.03926	25.4
174.05452	2.5
176.07069	5.1
185.10699	1.4
188.07045	1.4
190.04970	26.6
197.10696	1.7
198.09212	1.8
199.08658	2.0
201.10214	2.2
204.06558	43.1
208.09877	1.2
209.10582	1.5
209.19876	1.0
210.11649	1.6
211.08615	2.1
212.09352	2.8
213.10280	4.4
215.11789	3.4
223.08714	1.8
225.10185	3.9
226.08627	2.1
226.10828	2.2
227.08160	1.8
227.11711	3.3
229.09604	1.0
229.13150	1.7
236.09378	3.0
237.05411	5.2
237.10205	3.4
238.10945	3.0
239.08243	2.2
239.11783	2.8
241.09758	6.9
243.11278	14.9
249.10170	4.2
251.08067	1.7
251.11789	3.0
253.09663	3.2
255.11238	3.5
256.11993	1.5
257.09152	1.6
257.12891	2.1
259.10794	1.6
261.12668	1.3
263.08115	3.6
263.11633	1.1
264.09003	3.6
265.09628	2.3
266.10522	1.2
267.11215	4.0
269.09134	3.9
269.12836	3.2
271.10730	3.7
273.12341	7.9
275.11481	1.3
277.09579	4.2
278.10416	2.0
279.11276	6.6
281.09229	1.8
281.12717	1.6
283.10684	5.7
284.11572	2.3
285.12350	28.0
285.15509	1.7
287.10300	6.9
291.10684	1.2
295.10736	2.1
297.12341	9.6
299.10370	3.9
299.13870	6.2
301.11893	4.3
302.12769	1.6
303.13397	26.2
304.14044	1.2
307.10892	1.9
309.12054	1.5
311.10434	1.9
313.11972	5.1
315.10089	1.3
316.11090	2.2
316.14587	1.8
318.16092	1.8
323.10138	8.4
325.07877	2.0
325.11801	34.8
326.12686	2.1
327.13651	4.9
328.14404	1.9
329.11407	2.5
330.12338	3.6
330.15875	1.4
331.13297	1.2
332.13815	1.3
337.11758	1.7
337.23413	1.2
339.13464	1.2
340.14377	1.7
341.12207	1.9
342.12436	1.5
343.12936	10.3
344.13855	4.5
346.15430	1.8
353.11325	1.8
354.12317	1.8
354.16135	1.5
356.13885	2.5
357.14572	12.1
358.11615	1.8
358.15518	6.1
360.13007	1.1
361.14056	1.5
367.13138	1.8
368.14023	1.8
370.11722	3.3
371.12592	2.9
372.13165	5.1
372.17355	1.4
373.13943	3.8
374.14917	3.8
376.16934	1.1
381.11063	1.8
382.15613	1.2
383.12753	1.8
384.12802	1.8
384.17197	2.4
385.14304	3.2
386.15030	11.6
387.16061	4.8
388.16647	1.7
392.15799	1.6
394.17432	1.2
396.13275	1.5
398.14963	1.2
400.12454	1.5
401.13614	2.8
402.14127	3.1
402.18658	2.1
404.15921	4.5
406.17566	2.8
410.14853	1.2
412.16577	1.3
413.14008	1.4
414.14450	13.9
415.15198	19.5
416.15771	3.6
418.17526	3.4
420.15479	4.8
428.16077	4.4
430.17511	3.3
431.15619	1.2
432.15506	15.2
433.16040	2.1
438.15012	1.7
444.15451	4.8
446.16864	5.0
456.15405	8.9
462.16580	18.6
464.18079	2.4
474.16562	48.3
476.18109	3.4
488.17850	2.0
494.19055	2.0
501.14990	1.3
506.19196	10.0
581.23602	3.5
583.25391	4.1
585.23480	7.5
586.23413	1.4
591.21857	1.7
599.24719	4.8
609.23334	15.2
627.24457	100.0
628.24225	4.5
629.25537	1.1
641.25549	2.3
645.24689	3.3
659.26721	2.4
677.25317	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	676.3896
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.0
55.01872	3.9
55.05502	15.3
56.05019	1.6
57.03420	4.8
59.04984	2.6
67.05494	19.8
69.03416	4.3
69.07043	8.8
70.06570	6.9
71.04991	2.0
71.75083	2.2
72.08153	2.7
76.22000	1.8
79.05495	14.4
81.03404	6.1
81.07054	22.9
83.04974	4.1
83.08609	12.2
84.04501	2.5
84.08128	2.9
84.08952	1.7
85.02906	5.3
85.06519	1.7
89.06010	7.3
91.05462	13.8
93.07040	15.2
95.04969	12.7
95.08592	12.1
97.02895	4.0
97.06533	2.6
97.10154	11.5
105.07014	9.6
106.55643	1.8
107.04943	5.2
107.08586	10.6
109.02894	2.5
109.06502	4.0
109.10153	7.6
111.08091	3.2
116.07060	2.1
117.07024	5.2
119.08562	9.9
120.08091	4.4
121.06491	7.2
121.10148	4.7
123.08041	2.0
125.09634	7.2
127.03933	1.9
129.06992	4.8
131.04890	2.1
131.08545	9.1
133.06464	3.1
133.08565	4.3
133.10126	6.7
135.08067	3.0
135.11690	2.7
136.07555	2.1
137.05946	2.1
141.06943	2.6
143.08554	3.7
145.06508	5.3
145.10126	5.8
147.08017	4.5
147.11688	2.8
149.09627	2.8
155.08606	2.0
157.10118	4.3
159.08026	2.3
159.11636	3.9
161.09578	3.2
163.11122	3.7
167.06964	1.9
171.08136	1.9
171.11687	3.6
173.09541	2.2
174.77574	1.7
177.11340	1.9
177.12787	3.2
183.11632	3.5
185.09604	1.8
187.11177	2.1
197.13268	2.9
199.14813	3.3
211.14882	2.1
217.15797	4.4
227.12502	2.0
241.13451	2.2
351.23160	2.4
354.13440	1.9
369.24213	10.0
387.25226	4.2
426.24194	1.9
431.28140	2.2
443.27975	11.9
449.29190	2.3
461.28964	100.0
462.29233	3.6
479.30203	14.3
566.66687	1.9
659.26636	2.2
676.38776	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	676.2586
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	2.0
57.03424	5.9
57.97517	1.4
61.02908	5.7
62.81495	1.5
67.05492	3.8
68.05011	2.3
69.03402	5.0
69.07050	1.9
70.06583	16.8
70.69933	4.8
71.04988	26.0
73.02896	2.7
79.05478	3.2
80.04993	1.5
81.03390	1.8
81.07026	2.7
83.04962	3.8
84.04491	5.4
84.08125	12.9
85.02896	39.2
86.06032	3.7
86.09709	2.2
91.03944	2.3
91.05444	3.8
93.07038	2.4
95.08604	2.4
97.02880	3.9
98.09657	8.4
105.07014	2.4
107.08614	2.4
108.08101	22.5
109.08446	4.4
111.04435	2.8
116.07054	3.2
117.07017	1.8
119.08562	3.6
121.10118	1.6
122.09657	3.2
127.03919	2.1
130.04982	13.4
131.05310	2.4
133.10094	2.3
134.09665	2.1
135.08058	1.7
136.11201	3.3
137.02333	6.9
137.05940	3.4
141.94215	1.7
145.10085	1.7
150.79262	1.4
158.95856	1.4
161.02365	1.7
172.34908	1.5
189.01868	1.5
204.13849	2.7
207.02815	2.6
228.49922	2.0
246.18489	2.1
248.20122	6.5
249.20435	5.8
285.12390	1.6
299.05444	4.3
311.05496	11.8
312.06070	2.4
313.07001	4.3
313.11887	1.9
317.15619	2.0
322.23758	3.1
323.05508	25.0
323.08951	2.8
325.07086	7.1
329.06464	1.6
337.06952	10.9
337.10632	2.7
338.23312	3.3
339.08713	2.2
340.24744	18.4
341.06555	15.5
341.25064	14.4
347.09152	2.3
349.10699	3.0
351.08563	4.4
353.06573	2.8
360.12274	3.7
361.13354	2.0
363.08456	2.7
365.06555	4.3
369.09671	2.9
372.12085	3.4
373.13864	5.2
377.10129	10.3
378.13452	8.8
378.22949	2.1
384.14410	5.1
385.02362	2.0
385.13098	6.0
390.13324	7.0
391.07697	2.7
395.11325	3.1
396.14551	4.1
403.03159	3.3
407.11093	2.0
408.14386	31.1
408.19702	1.3
408.27701	2.4
417.13141	1.9
419.11166	5.6
426.15424	44.9
427.15659	2.0
432.14481	3.4
438.15036	3.0
441.15457	4.7
450.15509	16.2
456.16479	3.1
458.15891	3.0
463.13211	1.8
468.16452	3.6
469.28958	6.5
470.28284	14.4
476.17087	9.0
478.27563	2.1
494.18027	20.1
496.29193	9.6
512.19159	53.3
513.19293	2.2
513.31592	15.2
514.31689	32.5
530.20172	50.4
572.21234	13.4
632.34204	5.8
658.24652	9.9
658.34601	4.6
675.36584	2.6
676.25507	100.0
676.36810	32.6
677.25684	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	674.5041
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00303	0.6
55.05507	1.4
57.07067	63.0
59.04991	14.0
67.05481	0.5
69.03386	0.5
69.07058	1.8
69.59956	4.0
71.04987	0.5
71.08621	60.0
73.02892	0.6
73.06542	4.6
73.83575	0.5
79.05487	0.5
83.08607	1.7
85.06549	0.4
85.10170	54.4
87.04044	0.3
87.04456	13.4
89.06018	100.0
91.07595	0.7
95.08606	0.4
97.10186	0.9
99.11716	5.3
101.06005	0.5
102.21136	0.5
103.07568	6.8
105.07001	0.5
107.07053	3.2
111.11701	0.8
117.09090	4.4
125.13197	0.4
127.14799	0.5
130.08632	2.4
131.07025	5.4
131.10704	0.5
133.08586	74.9
135.10115	0.5
141.16356	4.4
161.11710	1.6
175.09634	4.1
175.13353	0.5
177.11200	29.4
179.12704	0.6
199.20520	4.5
219.12146	1.5
221.13847	4.4
231.47353	0.5
239.14798	1.9
243.23178	3.6
265.16397	0.7
283.17426	2.0
309.18738	0.7
327.20050	1.0
353.21591	0.7
371.22623	1.2
387.58228	0.5
397.24585	0.5
415.25116	1.2
441.26572	0.4
459.28000	6.6
487.56470	0.5
499.30811	1.2
657.47290	0.9
674.49774	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	674.4384
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01897	0.3
56.05013	0.3
60.07882	0.5
60.08157	6.4
66.62623	0.3
67.05480	1.1
70.05816	1.7
71.07372	3.0
72.24996	0.4
86.09695	31.0
95.08565	0.6
98.98455	3.0
104.10731	2.3
107.26931	0.3
109.10145	0.5
124.99986	21.7
149.05954	0.5
184.07324	100.0
191.17720	0.3
199.07457	0.5
213.10970	0.3
343.49835	0.4
346.80624	0.3
674.44122	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	674.3951
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.0
53.25652	0.9
55.01852	2.4
55.05503	25.5
57.03430	4.3
57.07070	17.7
59.04991	12.3
60.75840	0.8
61.02916	1.5
61.04955	0.7
67.05494	10.4
68.99786	0.9
69.03423	7.7
69.07059	100.0
70.06602	4.1
70.07397	1.3
71.04977	4.7
71.08592	1.5
71.26923	2.0
72.08127	1.5
73.02907	1.2
73.06466	0.9
76.02216	2.2
79.05486	5.0
81.03413	10.7
81.07048	14.5
83.04982	2.1
83.08608	59.0
84.04490	0.9
84.08124	2.0
85.02894	16.5
85.06528	3.5
86.09682	2.1
87.00814	5.1
87.04457	2.2
89.06018	21.3
91.05475	4.3
93.07030	5.0
95.04960	2.4
95.08589	14.4
97.02887	6.3
97.06533	1.2
97.10152	11.3
99.04477	4.9
99.08084	2.6
103.05460	3.2
103.07554	4.4
105.01852	2.6
105.07031	4.1
107.04951	2.2
107.07037	0.8
107.08604	4.9
109.02884	5.8
109.10148	12.1
111.04401	1.5
113.09630	1.7
117.07014	1.1
117.09107	3.4
117.86884	0.9
119.08553	2.9
120.08099	2.0
121.06487	1.4
121.10151	2.4
123.04376	0.9
123.08102	1.2
123.11712	6.5
124.12045	1.1
125.09605	1.8
125.13251	16.9
127.03909	9.8
127.11196	0.9
129.01875	1.5
129.56255	0.9
131.04944	1.2
131.07057	1.5
131.08572	1.8
133.08586	16.2
133.10159	2.2
135.08037	1.4
135.11693	1.4
136.07516	1.5
137.06020	1.5
137.13245	1.2
138.09154	0.9
139.14879	1.2
141.12741	1.0
143.14293	4.4
145.04955	3.1
145.10164	1.8
147.11713	1.9
149.09662	1.0
149.13268	0.8
151.07544	2.0
151.09612	5.6
153.12804	1.0
155.14278	1.4
157.10149	1.9
159.02908	2.4
159.11662	1.6
161.41202	0.8
163.11156	1.9
165.09123	4.6
165.16405	3.7
166.08609	1.1
167.07062	1.8
173.09615	1.2
173.13120	1.5
177.11214	8.5
179.04796	1.6
183.17445	3.5
191.10947	1.5
191.12743	9.9
195.12247	6.6
201.18474	11.8
201.20317	1.4
205.12265	0.9
209.13785	6.3
212.09555	0.9
213.03889	1.0
231.04866	2.1
239.11906	0.9
241.21631	6.8
249.17000	3.4
253.16473	1.2
259.22772	1.7
267.11319	1.6
267.18195	1.3
272.19995	2.0
281.12692	1.1
285.12286	1.4
289.08990	1.1
315.13312	2.3
339.13318	1.0
367.12817	2.0
391.30478	44.7
392.30750	2.7
409.31647	16.0
420.25638	4.5
477.28265	1.4
494.28568	1.3
512.30005	4.6
520.20599	3.8
674.35187	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	673.3225
Annotation	Heterotropatrione
Peak:m/z	Relative Intensity
55.05495	1.8
55.17994	0.5
57.03423	1.1
57.07064	0.8
60.25707	0.5
63.25035	0.5
67.05500	7.7
69.03426	2.0
69.07066	1.6
69.41517	4.6
69.41924	1.2
71.08637	0.7
79.05498	4.4
79.45681	0.4
81.03419	1.1
81.07042	6.1
83.04987	0.5
83.08591	1.3
85.02903	0.6
85.06544	0.5
86.09653	0.7
89.50127	0.5
91.05479	3.2
93.07030	4.6
95.04964	1.3
95.08595	11.8
96.08949	1.9
97.02895	0.7
97.06542	1.1
105.07011	2.6
107.08563	2.7
109.10161	1.5
117.06997	1.1
119.08576	1.8
121.06420	0.7
121.10146	1.7
122.10503	0.6
123.11720	0.6
129.06976	0.8
131.08589	2.0
133.06396	0.5
133.10115	1.7
135.08109	0.7
135.11685	1.2
143.08545	0.7
145.10109	1.2
147.11674	0.7
149.13309	0.8
159.09132	0.7
159.11679	1.0
161.13274	0.5
171.11664	0.6
173.13225	0.9
184.07332	1.1
184.34457	0.6
210.11571	0.8
215.12810	2.8
216.13139	1.4
218.56586	0.5
225.13939	0.7
237.13843	1.2
237.35448	0.6
238.14543	0.6
239.15417	1.2
251.15462	0.8
253.17154	1.0
261.22180	0.8
262.22559	0.6
275.14484	0.5
316.18088	0.7
335.25861	2.2
336.26151	1.9
395.18549	1.0
406.21652	0.7
409.20331	2.6
410.21097	0.6
421.20041	0.7
421.24850	0.7
422.20990	0.6
423.21875	2.2
424.22595	0.8
435.21884	1.8
437.19281	0.5
437.23645	5.5
438.20807	0.7
439.21655	1.4
449.23828	3.6
453.23434	0.9
461.29221	0.6
463.21448	1.9
465.18735	0.6
475.34195	0.7
476.34473	1.4
477.23019	3.1
478.22937	0.8
489.26425	1.0
495.23956	1.8
497.25769	1.0
509.25534	2.5
511.27353	4.1
513.25055	1.6
521.23718	0.6
523.27026	3.3
525.25006	0.7
535.26953	0.6
536.27460	0.9
537.28809	0.8
541.28009	0.6
555.26080	1.1
557.27344	1.5
563.26587	1.8
564.27020	1.6
565.28235	1.5
569.27490	1.4
582.27893	0.6
584.29840	2.1
585.28601	0.6
595.29230	2.8
596.30103	0.9
597.30371	1.5
599.28381	0.6
600.29150	1.2
605.27051	0.6
613.29840	2.1
623.28619	1.6
641.29419	0.6
655.31403	3.6
673.32251	100.0
674.32776	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	673.3225
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	1.2
57.07069	0.7
59.96233	0.5
67.05491	2.1
68.42144	0.4
69.03433	0.6
69.07050	1.4
71.08601	0.7
71.49534	0.7
77.13994	0.5
79.05483	1.7
81.03426	0.7
81.07056	3.4
91.05495	1.9
93.07019	1.7
95.08578	2.6
105.07015	1.5
107.08577	1.5
109.10121	0.9
111.00486	0.5
118.86935	0.6
119.08581	0.6
121.10070	0.6
133.08638	0.7
133.10101	0.8
135.11667	0.7
145.10103	1.0
159.09161	0.7
209.10695	0.8
223.12260	1.0
224.13120	0.6
225.13879	1.6
227.20108	1.4
228.09254	0.6
228.20308	0.7
237.13895	0.8
238.14575	1.1
239.15523	1.1
249.14229	0.7
267.86694	0.6
273.18417	0.7
275.19983	0.6
291.19382	0.7
352.17743	0.5
393.20554	0.6
395.18420	1.0
407.18021	0.6
407.22748	0.9
408.19287	0.8
409.20251	1.8
420.19516	0.8
421.19940	0.8
423.21933	1.8
424.22626	0.7
434.21457	0.9
435.21722	1.9
436.22818	0.7
437.23550	3.7
439.21301	1.3
443.22073	0.7
449.23712	3.3
451.21429	0.7
453.23306	1.0
463.21350	1.7
477.22845	1.9
482.22769	0.6
483.24057	0.7
495.23965	0.9
509.25647	1.7
511.27386	3.9
513.24823	1.7
522.26642	0.8
523.27197	1.6
523.61884	0.7
540.27307	0.6
541.28284	1.4
553.28143	1.2
555.26062	1.0
557.27429	2.2
563.26477	1.5
564.26831	0.8
565.27710	0.9
569.27649	1.6
584.30084	2.0
585.28064	0.8
595.28558	1.6
597.30627	1.9
600.29419	1.4
613.30341	1.3
630.29938	0.9
641.29108	0.7
655.32379	0.7
673.32245	100.0
674.32593	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	672.5249
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	2.2
57.03423	3.3
57.07070	100.0
59.04991	47.8
63.32079	2.0
67.05491	2.7
71.08624	99.3
71.76450	4.2
71.76818	2.9
72.34641	2.4
81.07057	4.3
83.08615	5.9
85.10175	96.2
87.04442	5.0
89.06023	35.6
95.05018	2.7
97.06458	2.5
99.11715	10.7
101.09659	4.1
103.07580	3.1
105.06984	3.0
117.09126	27.1
118.52721	2.5
130.08606	2.4
133.08591	18.7
141.16339	15.2
148.10365	2.5
177.11229	9.3
184.33568	2.5
199.20584	23.6
239.14714	2.6
257.24686	30.3
283.17471	7.7
341.21448	2.5
490.09436	2.7
539.25299	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.2857
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	1.6
65.13477	1.4
67.05495	4.6
67.07355	1.2
69.07040	1.8
70.06568	1.3
70.60299	1.4
70.60641	4.7
71.08592	1.2
79.05485	3.2
81.03408	1.1
81.07037	3.7
88.03159	1.3
89.06016	4.9
91.05473	3.9
93.07025	4.0
95.04955	1.8
95.08592	1.9
105.07024	2.9
107.04942	1.4
107.08559	1.7
119.08556	2.6
120.08064	1.5
123.70818	1.2
133.08562	2.8
159.09158	1.4
159.11691	1.6
164.10664	2.6
172.07562	1.9
209.10718	6.2
210.11475	1.9
211.12286	4.6
222.11412	2.1
223.12265	4.7
224.13043	5.0
225.13847	5.2
234.29520	1.3
237.10190	2.1
237.13802	11.8
238.14580	9.4
239.15401	5.3
241.09795	1.7
242.40691	1.3
248.11771	1.7
251.11824	1.5
253.09628	1.6
253.13402	2.5
255.07573	1.8
256.50095	1.3
259.10757	1.7
265.10703	1.1
265.13284	9.2
266.14087	3.6
267.14908	3.2
275.19827	1.8
285.08856	1.4
290.16479	1.9
300.14728	1.3
301.11597	1.5
312.14926	2.0
314.16425	1.6
325.15546	5.9
326.16287	1.6
327.16910	4.1
329.11331	1.6
360.17053	1.4
379.20190	1.6
395.18701	2.6
410.20773	2.3
433.20090	2.5
452.21271	1.5
466.20895	1.3
468.21817	1.6
469.22226	1.4
476.20764	2.2
477.22458	2.7
483.23697	2.9
492.21063	1.9
493.21948	4.5
503.20041	2.2
507.24115	2.5
511.23056	5.2
525.24536	1.6
535.23187	3.3
541.27411	1.5
551.26379	1.9
553.24371	6.9
554.24884	2.4
565.24762	1.6
569.27460	3.8
579.26678	2.1
581.23877	4.7
595.25439	19.3
597.26917	3.5
601.30310	9.2
605.23639	4.8
613.26526	29.0
623.24591	4.1
641.25989	100.0
642.26215	7.8
673.28040	10.5
673.39740	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	672.4158
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	4.7
57.03199	0.6
57.03436	4.5
57.07071	35.0
61.02919	11.4
67.05499	8.7
67.33691	0.5
69.03417	1.5
69.07066	6.7
71.07368	0.7
71.08624	28.4
73.02901	3.4
73.72662	0.6
75.04460	2.0
76.21594	0.6
79.05457	0.7
79.73893	0.6
81.07047	13.4
83.08602	9.6
85.02895	14.5
85.06506	0.9
85.10173	16.7
86.09670	1.1
87.04488	0.7
89.06015	1.3
89.32862	0.6
91.03940	10.0
95.08597	22.3
97.02876	6.7
97.10175	4.8
98.21236	3.0
98.57113	0.6
99.04408	1.1
99.11728	1.4
109.02872	0.8
109.10148	10.5
111.11703	1.0
113.13278	0.6
114.46912	0.6
115.03904	0.6
123.11668	4.4
124.99948	0.8
125.13199	1.0
127.03110	0.7
127.03918	5.7
137.13249	0.9
145.04912	5.6
151.14883	0.8
163.06004	9.4
184.07303	5.3
221.22592	0.8
239.23679	24.9
257.24774	4.2
313.27328	100.0
314.27643	3.2
331.28412	26.5
475.32452	2.3
583.15851	0.6
690.68134	0.7
691.13281	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.5247
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59145	0.8
54.02224	0.7
55.05491	2.8
57.03423	2.0
57.07071	100.0
59.04996	28.3
61.02922	1.6
63.50805	0.8
67.05491	3.7
69.03424	0.8
69.07050	2.9
71.08626	72.3
71.19120	2.2
73.02914	0.9
78.50053	0.7
81.07053	2.7
83.08638	4.0
85.02908	1.9
85.10174	62.0
87.04458	3.5
89.06025	39.1
91.03957	1.4
91.05462	1.2
93.07013	1.4
95.08600	3.8
97.02864	0.9
97.10155	3.4
99.11726	11.7
101.09654	3.1
103.07561	1.4
107.07077	1.8
107.89787	0.8
109.10159	2.2
113.13253	4.0
117.09126	9.6
130.08627	1.5
131.07042	1.6
131.10681	1.0
133.08595	27.5
155.17937	7.6
156.09247	0.9
158.11688	0.9
177.09961	1.1
177.11250	10.9
213.22090	13.1
221.13745	2.3
239.14954	1.1
239.23642	2.1
247.71703	0.9
254.24852	1.6
257.24826	1.0
265.43848	0.8
271.26309	14.8
271.30862	1.0
283.17520	0.9
298.08780	0.8
313.27393	5.1
327.20157	9.3
331.28421	1.8
385.24207	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.4157
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	3.0
57.03436	4.1
57.07070	32.4
61.02658	1.0
61.02919	11.9
62.41538	0.7
67.05495	9.3
68.28647	0.8
69.03433	1.1
69.07047	5.6
70.17604	3.8
71.08623	24.3
71.79587	0.7
73.02901	4.0
75.04463	1.1
79.05445	0.8
81.03389	0.7
81.06612	1.1
81.07050	13.5
83.08611	9.5
85.02898	12.8
85.10169	13.9
89.05988	0.8
91.03948	12.1
91.81420	0.7
95.08593	20.2
97.02882	8.3
97.10178	5.4
99.11698	1.0
103.07565	1.0
109.02876	0.8
109.10148	10.2
111.11731	0.9
112.20618	0.8
123.11665	4.2
127.03942	4.6
137.13222	1.9
145.04950	6.3
146.33002	0.7
151.14874	1.1
163.06001	10.6
184.07254	1.1
221.22722	1.2
239.23668	23.2
257.24707	3.5
260.51624	0.8
298.27618	0.7
313.27332	100.0
314.27692	1.9
331.24414	1.6
331.28394	33.1
332.28796	0.8
434.52933	0.8
529.31140	0.8
649.91321	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	670.3999
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	27.7
57.03428	6.5
57.07066	12.9
58.79052	2.7
61.02929	26.6
67.05507	35.1
69.03428	3.3
69.07065	39.5
70.06590	5.4
71.08635	7.4
71.75300	3.7
72.08132	3.5
73.02902	13.8
79.05485	20.8
81.07051	47.8
83.08617	35.5
85.02910	32.1
85.06531	3.4
85.10201	3.4
91.03941	28.1
91.05481	6.2
93.07042	24.7
95.08608	34.7
97.02890	14.2
97.06505	11.7
97.10172	22.7
105.07016	4.0
107.08602	23.5
109.02863	3.3
109.10145	17.5
111.08073	5.3
111.11695	6.6
116.07073	4.5
119.08562	3.8
121.10139	42.4
123.11719	17.8
124.52201	2.9
125.09641	3.6
127.03902	9.4
135.11688	33.6
137.13232	12.1
139.11179	3.9
145.04936	11.6
149.13187	18.9
163.06038	20.0
163.14790	6.5
219.21051	41.1
237.22113	100.0
237.24429	6.6
255.23236	27.8
257.01199	3.1
311.25769	84.9
329.22974	5.9
329.26819	77.3
445.29199	3.4
544.43005	3.6
651.72394	3.6
670.25378	9.2
670.48059	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	669.2685
Annotation	Unknow
Peak:m/z	Relative Intensity
56.53552	0.7
64.15974	0.5
65.03909	0.6
69.07072	0.9
70.06585	14.4
71.06923	0.6
71.75856	0.8
72.08157	2.9
79.05475	1.0
84.08125	1.7
86.09693	8.8
91.05481	3.2
94.04170	3.2
95.04970	1.3
103.05450	1.7
105.06966	0.8
107.04864	0.7
110.07155	4.9
114.09105	0.6
115.05447	0.8
119.04932	2.5
120.08103	0.9
122.03628	6.5
123.04424	1.0
128.29727	0.6
129.06943	0.8
129.10237	3.1
130.06512	1.5
131.04927	2.8
131.08575	0.6
132.08064	1.3
133.06410	0.6
136.07619	3.3
137.05965	100.0
138.06302	1.3
141.10240	0.8
144.05745	0.7
145.06490	0.9
147.04434	0.8
149.05937	2.0
151.03903	1.5
151.07539	5.6
152.06187	0.9
153.06905	0.9
155.08501	0.6
159.08008	0.6
159.09161	2.8
161.05981	4.1
163.07544	3.7
165.06949	1.5
167.07088	1.2
167.08505	0.9
175.07516	2.5
179.07013	1.1
181.06459	2.0
187.07507	2.8
189.09161	1.1
193.06496	0.9
195.07944	1.5
199.07434	1.3
201.09149	2.0
205.06615	0.6
205.08464	0.9
210.06693	1.2
211.07544	2.1
213.09071	2.3
215.10713	0.9
219.08073	0.9
221.05972	2.8
224.08305	0.8
225.09106	3.8
227.10649	1.7
229.08554	2.5
231.10126	0.7
233.12863	1.7
234.06819	0.6
235.07549	1.1
237.09212	0.7
238.06122	0.7
239.06982	1.0
241.08578	1.5
243.10286	0.8
251.07185	0.6
253.08612	2.5
255.10303	1.4
259.09729	2.6
261.12228	0.7
265.08612	1.0
267.10187	1.8
275.10666	0.7
279.10248	0.9
283.09653	1.8
285.08365	1.2
285.11212	11.0
285.45584	0.7
287.12973	3.1
289.11996	0.6
291.10049	1.0
295.09656	1.0
297.11209	1.8
301.11127	0.6
303.10052	1.2
305.11789	0.7
307.09836	0.9
311.12827	1.1
317.11597	1.4
321.11221	1.4
323.12967	0.9
335.12634	1.3
337.14520	1.2
347.12692	2.0
349.14328	2.4
351.15680	0.9
353.13824	2.4
361.14328	0.7
365.14142	1.3
367.15405	2.5
379.15472	1.8
383.14941	1.4
397.16397	2.1
441.13248	0.7
443.15378	0.8
483.18011	1.0
485.19516	1.2
497.19611	1.8
513.19000	0.9
515.20502	1.7
527.20642	1.3
533.21887	0.9
596.20300	0.8
621.24231	1.7
623.22400	0.7
633.24481	2.2
651.25592	5.0
669.25720	1.5
669.95032	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.4087
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13442	0.7
53.03894	2.8
55.01821	2.9
55.05454	4.4
57.03381	16.0
57.03681	1.0
57.07019	27.2
57.07318	1.8
61.02920	48.6
61.03212	2.4
67.05499	10.3
69.03423	22.0
69.07060	7.8
69.74899	1.6
69.75312	4.3
71.01292	2.3
71.04935	3.1
71.08625	20.9
71.08987	1.0
72.08899	0.8
73.02908	18.3
75.04434	1.1
79.05441	1.6
81.03410	19.3
81.07049	14.2
82.32054	0.7
83.04916	2.6
83.08618	9.3
85.02900	63.4
85.10176	13.6
87.04433	1.4
89.05988	1.1
91.03949	38.3
95.08598	16.9
97.02884	55.9
97.10168	9.0
99.04449	10.2
101.02381	5.3
103.03938	9.5
109.02874	11.9
109.10154	9.2
111.04382	2.2
111.11643	3.2
115.03912	5.1
117.05412	2.1
123.11717	4.2
127.03905	24.1
129.05467	5.0
133.04900	0.9
137.13148	2.1
141.05406	1.1
145.03860	0.9
145.04947	14.1
155.06931	0.8
159.06534	3.5
163.06021	4.4
163.14680	0.9
171.06459	2.4
172.58594	0.7
183.06528	13.6
185.90146	0.9
201.07561	9.2
249.25687	1.6
267.26822	17.2
268.27328	0.8
285.27829	2.8
341.30475	100.0
342.30801	2.4
369.30231	4.4
383.31616	5.3
395.31219	1.0
411.30920	2.2
413.32275	1.2
425.32742	1.3
437.32831	1.0
449.32977	1.0
467.33804	2.4
485.34702	8.8
503.35690	2.1
658.29474	0.9
665.42285	43.4
666.42468	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.2737
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.7
56.05021	0.4
69.03439	0.7
69.79336	2.0
69.79742	1.3
70.05973	0.5
70.06593	3.7
71.04967	1.5
72.08159	0.8
79.05479	0.9
81.07053	0.8
83.84357	0.4
84.04507	1.0
84.08134	1.1
85.02898	2.0
86.09689	1.8
91.05479	1.8
94.04183	3.3
95.04967	0.7
98.20643	0.9
100.11237	1.3
103.05461	16.3
105.07035	1.2
107.04965	1.4
109.06518	0.8
110.07196	0.8
115.05456	1.0
116.30034	0.6
117.07009	1.0
120.08078	0.7
121.06568	0.5
122.03637	9.0
123.04411	0.7
127.03868	0.6
128.06230	0.9
129.06984	0.8
129.13971	0.5
131.04921	30.2
131.08493	0.5
132.05083	0.6
133.87646	0.5
135.04420	1.2
137.05971	100.0
138.06319	1.8
141.06943	1.0
144.05670	0.6
145.06522	0.7
149.06009	1.2
150.06842	0.9
151.03906	1.0
151.07510	3.5
155.08521	1.2
158.07344	0.6
159.08049	0.7
161.05968	3.5
163.07536	27.7
171.07922	0.6
171.84207	0.5
175.07535	4.3
177.05441	1.2
177.09032	0.8
179.08562	0.8
181.06503	0.6
187.07558	1.4
199.07562	2.1
201.09082	1.5
202.07719	0.6
203.08609	1.0
203.10573	0.5
211.07626	1.3
213.08984	0.8
215.08635	0.8
215.10660	1.3
219.08170	0.6
221.05896	0.7
225.09030	1.1
231.08034	1.1
233.11726	1.2
235.07539	1.3
237.09152	0.8
239.07118	0.9
240.07951	0.6
244.08804	0.7
245.09697	1.0
247.07434	0.9
248.08333	0.9
251.07021	0.9
255.08054	0.6
259.07440	0.8
259.11276	1.1
261.09122	0.9
263.07010	1.1
264.07834	1.2
265.08588	1.7
269.09665	1.3
271.07504	0.7
273.09070	1.0
275.10675	0.8
277.08719	1.4
283.09692	1.2
286.09616	0.7
287.10733	1.6
289.08572	1.0
291.06686	0.6
291.10135	2.0
292.10773	0.6
293.08066	0.7
294.09058	1.3
295.09735	1.2
297.11252	2.1
299.12781	2.0
301.08701	0.9
301.12042	1.1
303.10135	1.4
304.10916	1.1
305.11707	0.9
306.08640	0.5
307.09448	0.9
309.11212	0.9
311.12766	1.5
315.10110	1.6
316.10742	0.6
317.11752	1.1
318.08798	0.6
319.09741	0.7
319.13315	1.8
323.12723	2.3
327.10049	0.8
328.10776	0.9
329.11841	1.7
331.09601	0.8
332.10614	0.9
333.11188	1.0
335.13052	1.0
340.11011	0.7
341.11682	0.7
345.11115	1.1
347.12833	3.2
349.14456	1.2
351.15866	2.0
355.09518	1.0
359.12650	1.1
361.14413	3.4
369.11151	0.7
373.14319	1.1
379.15433	1.5
381.11777	0.6
399.12161	1.1
401.13757	2.0
417.16837	0.6
429.12946	0.7
430.13950	0.9
433.15952	1.5
444.15475	1.3
445.16360	3.0
456.15701	2.1
457.16220	1.6
483.91907	0.6
497.19492	17.7
498.19687	0.9
509.19485	0.6
510.20447	0.7
511.20987	0.9
515.20831	4.4
523.20947	1.4
527.20068	0.6
529.21796	0.8
541.21716	1.0
592.20563	1.9
594.22430	7.1
595.23157	10.8
605.21857	0.7
619.23077	1.2
647.26239	6.7
665.27441	11.5
665.48999	1.5
666.28064	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.2433
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36879	0.3
53.03939	0.8
55.01859	1.2
57.03439	1.5
57.28432	0.3
58.86911	0.3
59.04988	0.3
59.21441	0.3
60.12872	0.3
61.02922	1.5
69.03423	5.6
70.06592	2.0
70.09773	1.5
70.30286	0.2
71.04980	0.9
72.08153	0.8
73.02917	0.7
73.83895	0.3
76.02222	0.3
79.05482	1.5
81.03415	2.4
81.07047	0.9
84.04491	0.3
84.08123	1.2
85.02897	15.8
86.09692	0.9
87.04461	0.8
91.03934	0.8
91.05463	3.9
94.04179	2.7
95.04957	0.5
97.02882	4.4
99.04445	0.9
103.05451	4.4
104.06230	0.6
105.07028	3.5
107.04924	1.3
109.02870	2.2
109.06500	1.9
109.41097	0.3
110.07153	0.9
115.03914	0.3
115.05434	3.3
117.07018	1.6
119.04930	0.8
119.08561	3.2
120.08095	0.4
122.03626	5.3
123.04414	0.3
127.03912	3.1
128.06201	1.9
129.06973	2.2
130.70103	0.3
131.04921	6.5
132.05690	2.5
133.06474	2.7
136.07600	0.5
137.05962	100.0
138.06296	0.7
141.06956	1.0
143.04916	0.8
144.05643	0.4
145.04996	1.8
145.06421	1.3
146.03615	0.8
147.04398	1.3
147.08035	4.4
149.05986	1.4
151.07549	0.7
155.04953	0.6
156.05692	0.4
157.06464	0.5
159.08044	1.8
160.05194	2.5
161.05963	15.1
162.06668	0.4
163.07516	13.9
167.07072	0.6
169.06442	0.8
171.08125	1.0
175.07529	55.7
177.05553	0.4
179.04898	0.4
179.06984	1.3
184.05280	1.1
185.05966	0.7
186.06685	0.4
187.07510	6.3
189.07037	0.7
189.09033	0.7
190.07791	1.5
191.06941	0.3
191.08516	5.2
192.09247	0.4
199.07530	11.0
201.09114	1.1
202.07793	2.9
203.06833	0.5
203.08551	6.3
203.10229	0.3
204.09283	0.6
205.06490	0.5
205.10126	0.5
206.07198	0.4
207.08081	0.7
215.06841	0.5
215.08665	0.4
217.08563	1.3
218.07231	1.5
219.08014	9.1
220.08762	2.4
221.09515	0.6
230.07230	0.5
231.08029	9.0
232.08786	2.1
233.05852	0.4
233.09584	0.7
235.07510	0.9
235.11136	0.6
236.08340	1.7
237.09091	0.7
245.09587	0.4
247.07532	4.4
248.08311	4.1
249.09067	1.2
251.10645	11.3
253.08601	0.3
258.06662	0.4
259.07507	5.9
260.08289	2.4
261.09094	1.6
262.09860	0.7
263.07834	0.5
263.10641	5.3
264.07816	1.0
265.08569	1.3
265.12128	0.5
275.06912	0.8
276.07806	2.8
277.08606	2.9
279.10144	8.5
280.10837	0.9
281.07968	0.5
283.13043	0.3
289.08734	0.3
290.09299	0.4
291.10120	15.7
292.07858	0.4
292.10870	3.3
293.08038	1.4
293.11203	0.5
295.09741	0.5
295.13223	1.4
296.10394	1.0
297.11096	0.4
305.11737	0.5
308.10364	2.8
309.11066	0.3
311.12738	28.0
312.13199	0.4
315.10220	0.4
321.11240	0.6
323.12744	29.0
324.13037	0.6
325.14224	4.3
341.13910	1.7
401.75131	0.3
449.15515	0.3
485.18600	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.4135
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05471	0.7
55.17750	0.4
56.96561	17.0
56.96816	0.9
67.05455	1.5
67.05797	0.4
68.78297	0.4
69.07045	0.5
71.42810	0.7
71.43143	0.6
71.95221	1.8
72.95996	1.5
74.97573	0.7
79.05444	1.4
81.03378	0.7
81.06989	1.2
83.08570	0.5
83.19882	0.5
84.95993	0.6
89.96397	0.4
91.05468	0.9
93.06989	1.2
95.04945	0.6
95.08555	0.8
105.06960	0.7
107.08564	1.1
109.10108	1.4
110.97530	1.4
121.10082	0.8
128.98596	2.6
131.08507	0.5
137.02682	0.6
140.16724	0.4
146.99635	2.2
155.03697	1.1
159.03305	0.6
171.03381	0.4
183.03313	0.4
185.04799	1.1
189.11160	0.5
195.06915	0.5
199.06419	2.8
203.05899	1.5
204.06660	0.9
205.07404	0.9
213.07999	2.3
217.07448	4.4
218.04633	1.4
222.07790	0.6
223.09961	4.1
225.08015	0.9
229.07440	0.6
231.09088	3.4
237.04326	0.6
239.09517	3.4
241.11093	47.5
242.11520	0.5
243.09047	1.1
245.10594	0.5
249.07796	0.5
251.09630	0.8
253.11099	1.9
257.10510	2.8
259.12158	56.0
260.12515	1.4
264.12695	5.7
267.09091	1.6
269.10614	6.0
271.12061	1.4
281.10376	1.0
282.13736	5.0
285.10199	0.7
287.11609	1.5
291.16379	0.7
291.19208	0.9
292.12289	0.7
305.15115	0.8
309.17319	2.5
315.16443	0.5
321.17276	1.0
327.18457	0.8
333.17242	5.0
351.18378	46.7
352.18826	1.2
369.19455	100.0
370.19797	2.6
374.20056	3.6
387.20563	7.2
388.21240	0.6
392.21036	22.8
393.21429	1.5
458.30206	0.5
467.82065	0.5
645.39551	0.5
663.41425	36.9
664.41846	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.3937
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	6.0
55.01856	4.6
55.05506	20.2
57.03432	20.9
57.07073	11.9
59.04984	1.8
61.02922	63.6
65.03929	1.4
67.05499	28.6
69.03424	24.6
69.07059	29.4
69.59749	12.1
71.01348	4.6
71.04980	5.6
71.08624	7.4
73.02909	21.6
75.04453	1.6
79.05479	15.7
81.03408	20.3
81.07045	35.4
83.04966	5.2
83.08617	22.5
85.02900	73.9
85.06531	2.1
85.10169	2.9
87.04459	4.0
91.03947	45.4
91.05460	4.5
93.07025	13.0
94.21808	1.3
95.04968	2.9
95.08598	31.7
97.02884	63.5
97.06524	5.6
97.10171	12.8
98.20710	3.1
98.98431	7.4
99.04434	13.3
99.08074	2.1
101.02369	7.2
103.03944	9.1
105.07048	4.3
107.08586	9.0
109.02883	13.0
109.06506	2.7
109.10152	17.4
111.04440	2.8
111.08051	3.6
111.11719	3.5
113.09678	1.6
115.03915	5.6
117.05466	1.8
119.08559	3.1
121.10147	12.0
123.11720	5.8
125.09592	2.5
125.13412	1.3
127.03905	29.3
127.04850	1.5
129.05478	5.3
131.08571	2.5
133.10135	3.7
135.11691	8.4
136.45753	1.4
137.13271	2.1
145.04938	16.0
145.10085	2.4
147.04353	2.2
147.11674	3.3
149.13258	3.2
151.03841	2.1
151.14787	1.5
155.01045	5.7
159.06505	5.0
159.11627	1.5
163.06029	2.6
163.14789	1.8
163.69121	1.5
171.06558	2.2
183.06512	13.0
192.28114	1.4
201.07535	11.4
201.09187	1.5
219.84134	1.6
247.05901	1.6
247.24272	7.7
265.25214	24.6
287.12726	1.8
287.23566	1.5
331.26260	2.0
333.13437	1.7
337.27353	23.7
337.43970	1.4
338.27771	2.9
339.28940	100.0
340.29135	3.4
349.27219	2.8
351.14438	2.1
355.26318	1.9
357.29883	2.0
367.28491	3.8
373.27411	3.2
381.30054	4.1
409.29144	1.8
438.33206	1.5
447.30893	4.7
465.31955	3.5
483.33240	8.2
501.33640	2.1
663.40265	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	661.3787
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	5.5
55.01869	4.4
55.05511	14.5
57.03434	28.5
57.07083	2.5
59.40622	1.5
61.02610	3.8
61.02923	79.2
61.78753	1.6
61.95749	1.7
65.03901	2.2
67.05500	49.3
69.03423	34.7
69.07068	20.1
71.01352	3.6
71.04980	5.4
71.08645	3.8
71.73225	2.9
73.02910	33.8
75.04451	2.8
78.83999	1.7
79.05487	17.5
81.03416	26.2
81.07053	59.2
82.98034	1.5
83.04967	5.6
83.08611	16.5
85.02901	97.3
85.06529	1.8
85.10178	2.4
85.12926	1.7
87.04462	3.5
91.03359	2.7
91.03948	57.5
91.05481	13.1
91.65852	1.7
93.07044	22.9
94.13412	1.5
95.04940	4.0
95.08604	47.5
97.02890	78.2
97.06522	4.4
97.10155	6.4
98.98476	3.0
99.04451	15.4
99.08089	2.5
101.02364	10.8
103.03944	11.6
105.06982	10.4
107.08587	11.9
109.02880	13.5
109.10169	17.3
111.04465	4.3
111.08157	1.8
115.03913	6.4
117.05469	2.6
117.07053	1.9
119.08588	8.6
121.06582	2.5
121.10128	13.4
123.11694	7.4
127.03917	36.3
129.05469	6.1
129.06993	2.8
131.08571	3.1
133.10120	7.7
135.11662	6.3
137.13237	3.6
145.04959	19.9
145.10136	3.4
147.11688	7.8
149.13237	5.6
151.11221	2.1
159.06451	2.9
161.13229	5.9
163.06015	2.6
163.14833	4.1
171.06531	3.7
175.14825	3.9
183.06519	13.0
187.14937	2.6
201.07553	9.0
245.22612	10.1
256.14227	1.8
263.23663	23.2
317.24515	2.1
329.24866	2.5
335.25766	7.6
337.27341	100.0
338.27921	2.4
347.25940	2.2
353.24268	2.4
365.26819	4.6
371.25708	4.8
379.28180	2.7
389.27292	1.8
445.29440	6.4
463.30511	2.9
481.31741	10.7
499.32581	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.3786
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.6
55.01869	5.0
55.05506	13.7
57.03431	24.9
57.07060	3.7
59.04988	1.0
61.02920	85.3
65.03937	1.0
67.05497	46.4
69.03422	30.2
69.07060	17.6
70.58055	4.0
71.01336	3.5
71.04975	4.7
71.08612	2.2
73.02910	30.3
73.17975	0.9
75.04475	2.6
76.98965	0.9
79.05482	14.1
81.03410	24.3
81.07047	47.0
83.01325	1.0
83.04970	3.6
83.08614	9.0
85.02895	100.0
85.06497	1.6
85.10156	1.0
87.04443	3.4
90.29259	0.9
91.03947	57.9
91.05460	9.9
93.05484	1.3
93.07037	16.7
93.07593	1.8
95.04959	5.0
95.08598	37.7
97.02881	83.1
97.06503	3.6
97.10157	6.2
99.00839	1.1
99.04451	13.8
99.08089	1.3
101.02370	8.7
103.03939	10.2
105.07026	7.3
107.04942	1.1
107.08582	11.2
109.02858	14.7
109.06464	1.4
109.10140	15.3
111.04408	3.5
111.08067	1.9
111.11656	1.6
115.03915	8.0
117.05476	4.1
117.06997	1.5
119.08551	8.6
121.10106	10.1
123.11683	7.5
125.09629	1.3
127.03904	33.7
127.11150	1.1
129.05472	5.6
129.06993	0.9
131.08556	3.5
133.10114	6.2
135.11673	7.1
137.09584	1.0
137.13228	3.3
141.12703	0.9
143.08551	1.4
145.04944	22.1
145.10077	2.1
147.11674	6.1
149.13214	5.7
151.11095	1.6
151.14751	2.6
159.06488	3.8
159.11731	1.4
161.13254	5.3
163.06006	6.5
163.14813	4.3
165.12810	1.0
165.16382	2.2
171.06512	2.6
173.13290	1.9
175.14816	4.3
177.16391	1.6
179.17957	1.6
183.06508	10.1
189.16325	2.2
201.07562	8.5
201.16629	1.2
203.17934	1.2
243.21127	1.0
245.22656	10.1
261.21948	1.3
263.23691	16.1
293.24716	1.3
305.24680	2.6
317.24689	1.8
319.26364	1.3
329.24677	1.7
335.26004	2.1
337.27332	92.0
338.27689	2.6
343.26346	1.4
353.24765	2.2
365.26755	2.9
371.25824	4.3
379.09192	1.0
379.28363	2.1
389.27203	1.3
421.29391	1.3
445.29422	4.3
463.30634	4.6
476.85983	1.1
481.31644	10.7
499.32462	2.2
661.37823	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.286
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49139	0.9
53.03928	1.0
55.01844	1.1
55.05505	2.1
57.03421	1.1
61.02913	1.1
67.05482	3.5
69.03410	2.0
69.07063	2.2
69.46840	1.1
69.47247	7.2
69.83028	0.8
70.06579	2.4
71.47523	1.0
79.05486	9.3
80.04993	1.8
81.05759	0.7
81.07032	2.4
83.04958	1.1
83.08607	2.8
84.08126	0.8
85.02892	2.5
89.06011	1.2
91.05479	6.1
93.07031	8.8
94.06554	2.5
95.04959	2.4
95.08596	2.7
96.08100	3.3
97.02942	0.9
97.10158	1.2
103.05437	5.5
105.05750	2.0
105.07014	2.5
107.07318	2.2
107.08546	2.1
107.98498	0.8
108.08109	5.0
109.06499	1.1
109.10133	2.0
116.07071	1.8
118.06538	3.2
119.07298	2.1
119.08567	2.0
120.08096	29.7
122.06068	0.9
122.09657	16.5
124.11217	21.3
131.04941	0.9
131.05974	0.9
131.08594	1.1
132.08105	1.4
133.08624	1.1
133.10069	1.2
134.06042	1.0
134.09677	1.4
136.07533	2.7
136.08539	0.8
136.11183	5.8
138.09158	1.2
146.05978	1.5
146.09622	1.3
147.11725	1.0
148.07553	100.0
149.07866	2.2
150.09142	4.6
158.09592	1.1
159.09180	1.8
159.11784	0.9
160.07549	1.9
160.38638	0.8
162.09152	1.1
164.07178	0.9
164.10698	6.7
166.12263	10.0
172.09962	0.9
173.07124	1.4
173.13319	1.0
174.09145	1.2
175.08688	1.1
178.12216	4.6
187.04922	0.9
187.08662	3.7
189.06566	2.4
190.08830	1.0
193.13354	2.2
195.10414	1.1
197.07039	1.0
197.10777	1.3
201.06581	2.5
201.10233	1.0
203.08084	1.1
211.08582	1.7
211.12196	1.8
212.13019	0.9
213.10135	2.4
215.04646	1.6
215.08194	6.0
216.06607	0.8
217.06137	1.7
221.43655	0.9
223.12247	1.2
225.10191	2.5
225.13834	3.0
226.12466	1.4
226.14629	1.8
227.08110	2.0
227.11768	2.5
229.06110	2.5
229.09608	1.1
230.06842	2.7
231.07678	2.1
231.11177	1.3
233.09120	1.8
236.09328	1.1
237.10217	3.8
237.13843	1.1
238.10806	1.0
239.11789	2.9
240.08943	1.0
240.12532	3.2
241.09579	1.5
241.13290	1.6
241.16942	3.3
243.07635	9.1
243.14923	1.6
244.07988	0.9
245.09135	1.8
251.11771	1.4
253.09727	4.2
253.13350	2.7
254.14024	1.1
255.11191	1.9
255.14867	3.6
257.09201	3.6
257.12750	1.9
257.16476	16.0
259.07077	2.1
261.08688	1.6
265.09738	4.0
265.13342	7.8
267.07776	0.8
267.11243	4.1
267.14325	0.9
269.09171	1.2
269.13452	1.6
269.16458	16.8
270.16940	1.1
271.07159	3.1
271.14450	4.4
271.18018	13.9
273.08728	11.2
273.11780	1.4
275.10172	0.9
277.13425	1.0
280.08401	1.3
280.15756	1.9
281.09088	3.5
281.16455	3.1
283.10721	1.4
285.08719	6.7
285.12042	1.7
287.10226	4.2
289.08173	6.1
293.09174	5.3
295.10718	4.4
297.12238	1.4
302.12537	1.0
303.06369	1.0
303.09680	22.7
311.10181	1.7
313.08005	2.9
313.11719	3.3
313.19110	9.7
315.09702	7.4
317.07547	1.2
321.08582	3.2
323.17538	25.8
325.19061	2.2
329.11227	1.3
331.09070	3.2
339.09592	15.8
340.20053	4.4
341.07629	1.7
341.11285	6.3
344.13559	1.4
345.10703	5.2
349.10306	7.8
357.10651	1.8
359.08597	4.2
363.11884	14.8
371.12323	1.7
372.12958	2.3
373.14056	1.4
377.09818	6.8
389.13290	9.6
391.11234	12.4
393.13101	1.4
405.12836	6.4
464.17908	1.2
482.19150	4.5
494.19067	2.3
496.20764	3.3
514.22003	6.4
526.21667	2.8
567.25287	0.9
569.23901	1.1
583.25281	1.3
585.26617	1.7
587.24884	2.4
593.23175	1.3
601.26910	1.2
602.83551	0.9
611.25043	4.3
615.27863	2.0
629.26080	8.3
643.27887	5.5
661.28113	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	661.1597
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89583	4.4
55.01862	8.9
57.03429	7.1
65.03940	8.1
67.05510	6.3
69.03410	4.6
70.06585	19.4
71.73985	9.5
72.08153	5.0
73.02942	4.6
74.31529	4.2
76.90081	4.5
81.03393	7.1
84.08107	6.5
85.02895	20.2
90.06100	4.8
93.03412	4.5
94.92954	4.4
95.04915	8.3
97.02889	7.6
102.84875	4.6
103.03929	6.2
104.56295	4.8
105.03360	5.6
107.04967	6.7
109.02894	14.3
116.07106	6.8
121.02862	14.3
127.03960	7.9
133.06381	4.4
135.04378	6.7
137.02330	43.5
151.03993	7.1
153.01767	5.3
165.01862	4.8
168.13841	8.5
175.03850	5.2
177.01869	6.4
179.03380	12.0
189.01859	13.3
191.03378	11.1
195.02829	8.4
199.02339	6.1
201.05466	6.2
203.03392	17.4
205.04854	7.5
205.33333	5.2
207.02870	26.8
215.03459	10.3
219.02884	17.2
221.04382	9.1
225.03946	6.6
229.05035	13.1
231.02829	7.3
233.04460	13.1
241.04959	10.9
249.05615	6.2
253.05031	11.7
254.05751	5.7
255.06445	8.8
257.04330	13.5
261.03912	11.1
264.08542	5.0
265.04913	7.6
267.06464	8.9
269.04361	13.2
271.05887	8.1
273.03909	8.2
279.06537	7.1
281.04495	18.1
281.07928	6.6
282.05280	9.6
283.05948	22.8
284.06696	6.0
285.03961	14.6
285.07202	10.8
287.05450	11.6
293.04449	12.3
295.06091	15.7
297.03757	13.1
297.07269	10.9
298.04593	8.1
299.05453	43.7
300.06305	10.5
301.07031	6.9
303.04926	8.3
307.05832	10.5
309.04001	11.1
309.07382	7.2
310.04608	13.1
311.05466	93.6
311.08786	8.5
312.06137	18.5
313.06958	21.1
315.04898	27.3
316.05829	8.2
322.04779	7.0
323.05444	58.4
323.08990	7.4
324.06287	23.6
325.03494	7.2
325.06961	24.6
327.05023	35.5
328.05701	19.6
329.06482	25.7
333.06946	6.4
335.05493	14.3
336.06293	11.6
337.06964	35.4
338.04199	9.2
339.04968	36.4
339.08502	9.3
340.05804	21.6
341.02612	10.2
341.06500	100.0
342.07288	5.8
343.04294	24.0
344.05325	13.1
345.06097	18.4
347.05396	6.4
349.07086	15.5
351.05118	10.1
351.08560	15.9
352.05710	17.5
353.06564	55.0
355.04385	20.0
355.08246	7.4
357.05872	23.9
361.06534	9.8
363.04745	6.4
365.06567	46.7
366.07474	7.4
367.04193	11.3
367.08124	23.2
369.06110	21.5
371.07700	22.6
373.05429	29.3
377.06503	20.6
379.08279	7.0
381.05978	17.4
381.10141	6.4
383.07437	10.2
385.05521	19.3
389.06567	6.3
391.08081	9.4
393.05804	10.1
394.06723	12.5
395.07535	54.6
397.05325	10.8
403.06607	15.5
405.06049	7.5
407.07684	33.4
409.05130	7.5
410.06012	6.0
411.07043	9.7
418.06531	6.6
419.07620	22.4
421.06537	7.2
423.07059	15.0
424.07858	9.9
425.08743	22.3
427.06430	22.4
437.08755	11.5
439.06552	15.5
441.08551	9.1
443.09628	17.4
445.07675	9.2
451.06680	13.6
453.08087	6.8
455.09943	24.8
457.07880	8.7
458.09100	7.4
459.09488	10.5
469.07596	16.6
471.09140	10.5
472.09991	54.4
473.10968	44.8
475.01160	4.8
475.08563	22.0
487.08591	20.8
488.09567	11.0
489.10071	5.7
490.10706	12.2
491.11658	16.5
493.08896	8.3
496.09940	13.1
497.11130	6.3
505.09393	16.7
506.10419	20.0
515.11584	9.1
523.10504	22.7
526.10834	12.0
527.11554	6.5
538.11023	7.6
539.11871	7.4
541.11383	5.9
545.12256	6.3
556.12476	6.5
557.12708	14.1
574.12903	13.6
575.13733	19.2
589.12140	9.0
592.14435	8.7
593.14734	45.5
609.94269	5.0
611.16138	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	660.4888
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	1.9
57.07069	47.4
59.04996	16.9
62.63098	0.5
67.05498	2.3
67.19359	0.5
69.07069	2.7
69.46642	6.4
71.08624	88.2
72.08966	0.6
73.06546	4.3
79.05489	0.8
81.07037	1.2
83.08629	0.9
85.10173	46.6
87.04462	13.9
89.06020	100.0
91.07586	1.1
95.08617	0.7
97.10161	1.1
103.07578	7.4
107.07056	3.1
115.95864	0.6
117.09103	3.5
127.14804	4.6
130.08614	3.2
131.07034	6.1
133.08589	75.1
135.08064	0.7
155.79739	0.6
161.11731	1.6
175.09666	3.8
177.11209	28.0
185.19000	5.6
195.93970	0.6
214.18114	0.5
219.12236	0.8
221.13786	4.7
223.15388	0.6
229.21646	4.7
239.14938	1.6
251.74355	0.6
265.16418	1.1
267.18027	0.7
271.40567	0.6
273.37073	0.5
283.17532	2.6
309.18979	0.7
327.20004	1.2
353.21603	0.8
371.22659	1.4
391.31995	0.6
415.25156	2.0
459.27939	6.8
499.30978	0.9
643.45984	0.8
660.48395	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	660.3947
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	0.9
55.01864	0.9
55.05501	10.6
57.03438	5.2
57.07058	2.2
59.04985	1.3
61.02919	2.7
65.03946	1.8
67.05502	30.1
69.03438	1.7
69.07066	12.8
69.42405	1.3
69.42807	10.2
70.06590	1.3
70.95411	0.8
71.04980	3.0
71.08577	0.8
73.02911	0.9
79.05486	20.1
81.03417	2.5
81.07050	41.5
83.04975	2.9
83.08617	16.7
85.02892	3.6
85.06536	2.1
89.06052	4.5
91.03931	1.3
91.05476	12.3
93.07035	26.0
95.04957	2.7
95.08595	12.9
97.02924	2.0
97.06544	6.0
97.10155	6.7
105.07023	9.4
107.04942	1.1
107.08595	16.2
109.06525	2.1
109.10150	3.3
111.08076	4.0
111.11650	1.4
117.07011	6.2
119.08551	5.8
121.06523	1.8
121.10130	9.6
123.11695	2.6
124.46980	0.9
125.09605	0.8
127.03936	1.8
129.07028	1.1
131.08578	9.6
133.08601	3.0
133.10106	8.4
135.11681	6.6
143.08615	1.9
145.10117	3.0
147.11670	1.3
149.09590	1.1
149.13248	10.8
157.10123	2.0
159.11658	7.1
167.14281	1.1
169.10109	1.2
171.11705	1.5
177.11298	1.3
177.12756	3.3
181.10167	1.5
185.55009	1.0
185.96796	0.8
195.13809	9.0
197.13281	1.1
204.76288	1.0
213.14851	1.6
229.14186	1.2
251.16475	1.9
269.17441	31.2
339.17990	1.4
353.24677	2.1
371.26041	1.7
422.17178	1.0
434.23901	0.9
445.29446	14.2
463.30530	100.0
464.30988	2.7
607.34576	2.7
657.55554	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	660.343
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.6
55.05506	3.1
57.03430	4.9
57.07074	0.4
59.04983	0.8
61.02924	6.9
65.03914	0.5
67.05499	19.6
68.05027	1.4
69.03416	1.6
69.07074	3.9
70.06576	1.6
71.00560	1.0
71.04975	4.5
72.08110	0.6
73.02911	2.4
79.05486	6.6
81.03400	1.8
81.07050	36.1
83.04971	2.3
83.08615	4.2
85.02892	9.2
85.06532	4.2
86.09706	0.6
87.04456	0.7
89.06020	1.0
91.03954	5.9
91.05465	6.3
93.07038	12.7
95.04955	1.8
95.08601	6.7
97.02882	4.1
97.06519	3.3
97.10160	1.2
99.04443	0.9
99.08098	2.9
103.03940	0.6
103.05378	0.5
103.78439	0.5
105.07047	2.7
107.04926	0.9
107.08577	5.0
109.02869	0.7
109.06483	0.8
109.10149	2.9
111.08044	1.6
113.06016	0.5
114.05501	1.7
115.03850	0.6
117.07000	3.3
119.08598	1.1
120.08144	0.5
121.06487	0.7
121.10136	2.4
123.08070	0.7
123.11700	4.5
125.09598	0.6
127.03904	2.4
131.08543	2.6
133.10124	6.8
135.11737	2.2
136.07573	0.7
137.05954	0.6
138.09138	0.7
141.12740	0.5
145.04948	3.6
146.05998	0.5
149.13240	7.0
151.11208	2.2
155.14368	1.0
159.11687	13.9
161.13264	2.6
163.06013	3.5
167.07053	0.7
169.12164	0.8
169.15913	1.0
173.04294	0.6
177.12738	17.9
179.14282	9.5
181.04868	1.1
187.13290	3.7
190.05046	0.7
193.12247	0.9
195.13739	2.8
204.06595	1.0
229.14308	0.9
233.15375	1.2
234.08099	0.6
241.13293	0.9
242.13651	0.7
243.15919	29.0
244.16428	0.8
249.10043	0.6
251.16428	5.7
269.17459	100.0
270.17798	1.6
277.09680	0.6
279.10947	0.7
285.12323	0.9
285.16922	0.7
293.08817	0.6
301.20102	15.8
304.13889	0.9
305.09280	0.7
323.10028	0.6
324.10342	0.6
325.61020	0.5
347.00793	0.7
349.23987	0.9
352.10004	0.6
370.11099	0.7
383.12402	1.2
384.12607	2.0
413.21582	1.4
415.14612	0.5
416.15759	0.6
431.22873	0.8
445.23969	1.6
475.16827	1.6
545.54785	0.6
628.24561	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	660.2466
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	1.4
56.05014	0.4
59.27103	0.4
59.88577	0.4
65.03931	1.6
66.04705	0.7
67.05486	0.7
70.06586	5.6
71.50501	1.0
72.08141	1.5
79.05492	2.8
81.07043	0.8
84.04514	0.5
84.08130	1.3
84.80336	0.4
86.09692	2.9
89.03920	0.4
91.04913	0.9
91.05470	14.0
91.06040	0.9
93.07001	0.4
94.04180	3.0
95.04955	1.4
100.65667	0.5
103.04821	0.9
103.05456	10.2
105.03400	3.0
105.07021	11.2
107.04939	2.5
107.33892	0.4
109.06506	2.9
115.05424	3.8
116.06258	1.1
116.07078	0.5
117.07006	2.8
118.04150	1.0
119.04929	14.4
119.08559	1.2
120.08099	1.1
121.06494	2.5
122.03630	6.9
123.08050	1.7
128.06229	2.4
129.07019	2.5
129.10219	1.1
131.04916	17.0
131.08568	0.9
132.05681	1.0
133.06480	9.1
135.04382	0.9
135.08017	1.4
136.05147	0.8
136.07471	0.5
137.05965	100.0
138.06343	0.5
143.04987	0.5
144.05698	1.8
144.98288	0.6
145.06471	6.1
146.03577	0.9
146.07289	0.6
147.04408	3.0
147.08052	2.2
149.05963	1.3
150.06732	0.9
151.07527	7.9
155.06024	0.6
156.05695	1.5
157.06442	0.9
159.04417	0.7
159.08037	8.2
160.05231	1.5
161.05966	21.0
161.07344	1.0
161.09534	1.1
162.06714	1.2
163.07526	33.2
164.08002	0.7
165.05525	1.0
171.04366	0.7
172.05180	8.2
173.06006	2.2
174.06740	1.3
175.07542	12.6
176.08296	0.5
177.05466	1.2
177.09064	5.3
179.07051	4.2
179.08476	0.7
185.05994	1.0
186.06773	0.6
187.07526	44.8
188.08275	2.5
189.09070	2.0
191.07011	1.8
191.08620	1.1
192.09262	0.6
193.08604	0.7
199.07552	2.1
201.09032	0.7
202.07758	1.4
203.08537	3.0
205.06546	1.1
205.08586	3.6
205.10120	0.5
207.08099	0.8
217.06473	0.6
217.08566	11.9
217.10541	0.8
218.07243	0.6
219.08040	3.6
220.08768	2.7
221.09583	1.0
225.08905	0.5
231.08047	5.5
232.08803	1.2
233.05899	0.9
233.09596	0.7
235.07422	1.1
235.11235	0.7
236.08263	1.1
237.09093	1.2
245.09561	0.7
246.06650	0.4
247.07562	2.7
248.08290	4.0
249.09137	1.6
251.06989	0.5
251.10663	2.6
257.09674	0.5
258.06836	0.5
259.07550	5.1
260.08328	1.6
261.09085	1.1
263.10648	4.9
264.07867	0.8
265.08582	2.4
266.09317	1.0
267.10220	1.2
275.10672	0.6
276.07709	2.3
277.08597	1.8
279.10165	6.3
280.07312	0.8
280.10928	1.5
281.08316	0.5
281.11832	1.2
282.08817	0.6
283.09839	0.5
285.08972	0.6
289.12244	0.8
291.10132	10.9
292.10782	1.2
293.08102	1.2
293.11514	0.7
294.08298	0.9
295.09613	5.6
295.12839	0.6
296.10425	1.0
297.11069	3.1
299.12732	3.2
305.11847	0.6
306.62082	0.5
308.10349	1.6
309.11334	3.4
310.11938	0.6
311.12747	12.7
312.13730	1.2
313.14191	0.8
317.11795	1.3
319.13202	0.6
321.11038	0.7
323.12738	29.7
324.13397	1.7
335.12735	3.0
337.14270	1.3
341.13818	14.0
342.14554	1.7
345.96948	0.5
347.12665	0.6
349.14313	3.7
353.13718	4.8
355.09824	0.9
361.14478	0.8
367.15372	0.5
373.11029	0.9
402.05408	0.5
461.19589	0.5
473.19592	4.8
485.19601	0.6
491.20517	1.5
503.20822	1.2
521.21466	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.3826
Annotation	Unknow
Peak:m/z	Relative Intensity
55.14525	0.4
56.96506	15.8
56.96809	1.4
67.05460	0.4
70.56259	1.4
71.95197	2.4
72.95983	1.1
73.34429	0.4
74.97544	0.9
79.05431	0.5
81.07023	0.5
84.95967	1.0
97.96792	2.6
98.20720	0.4
98.97535	0.9
102.00935	0.3
110.97556	2.2
112.21033	0.3
115.97838	2.4
116.98540	1.0
128.98593	4.0
133.01680	0.4
133.22363	0.3
133.98824	0.8
137.02632	0.4
141.99290	0.6
143.00072	0.8
146.99628	3.2
148.00383	0.4
149.01189	0.3
155.00105	0.8
155.03683	0.9
157.01653	0.6
160.00345	1.3
161.01097	1.3
165.00584	0.6
165.02022	0.3
169.01646	0.5
169.05209	0.4
170.01172	0.5
171.03227	1.7
173.01164	1.3
175.02605	0.5
181.01692	0.4
181.05339	0.5
183.03250	0.5
185.01129	0.9
185.04823	2.9
185.98248	0.9
186.02036	0.4
187.02696	1.0
187.06261	0.4
189.04401	1.8
195.06903	0.6
197.04767	0.5
198.05528	1.0
199.02798	1.6
199.06432	2.2
201.04303	1.3
202.05090	0.4
203.05896	3.9
205.07422	1.4
208.06242	0.7
211.06351	1.3
213.04297	1.3
213.07942	3.8
214.04837	0.4
216.02992	0.8
216.06581	0.8
217.03758	1.1
217.07428	3.4
219.03087	0.4
219.05231	0.5
221.06761	0.6
222.07687	0.4
223.02721	1.3
223.06473	0.5
223.08194	0.6
223.10089	2.5
225.07922	0.9
227.05859	1.0
227.09450	1.1
229.07442	0.6
231.05327	0.6
231.08997	5.0
235.10103	0.4
237.04393	2.1
237.08061	0.7
239.09561	5.9
241.11093	33.4
242.08238	4.1
242.10837	0.5
242.11267	0.4
243.08987	1.0
244.09750	0.8
245.06943	0.6
245.10612	1.4
249.07771	0.6
251.05946	0.5
251.09470	1.3
253.11147	2.0
254.10677	0.4
255.05367	1.0
255.08928	1.3
257.06943	0.5
257.10590	4.6
259.12158	39.5
260.09244	1.8
260.12265	0.7
261.08026	0.5
262.08667	0.6
262.11121	0.6
264.12683	3.8
265.09958	0.7
265.13022	0.4
267.08908	2.4
267.11380	0.4
269.07397	0.7
269.10550	5.0
270.11343	0.5
271.12152	1.7
273.09915	0.8
279.09082	3.2
280.09689	3.5
281.10498	1.1
282.13696	2.9
285.10052	1.9
287.11511	2.2
289.14743	0.5
292.12158	0.7
297.10083	5.4
298.10898	5.3
299.11584	0.7
303.11343	0.5
303.16336	0.4
307.15717	1.8
315.11029	1.0
316.12027	2.6
320.11652	0.5
321.12213	0.5
325.16849	1.1
329.83588	0.4
330.09344	0.5
331.15726	10.6
349.16815	65.7
350.17374	1.9
366.19666	0.4
367.17889	100.0
368.18341	2.0
372.18311	3.0
385.18933	4.9
390.19473	17.0
391.19830	0.8
439.43256	0.4
641.37518	0.8
659.38239	35.5
660.38739	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.3822
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	1.6
56.96556	15.4
58.34778	1.2
65.36991	1.2
67.05496	4.9
68.07979	1.1
69.76407	3.9
69.76841	4.5
70.06558	1.3
70.33370	1.1
71.95249	2.5
79.05492	4.7
81.03438	1.8
81.07046	3.9
91.05476	3.1
93.07027	4.2
95.08588	2.6
98.20819	2.6
98.97610	1.2
105.07034	1.8
107.08569	2.1
110.85122	1.1
110.97567	2.2
114.53977	1.2
119.08541	1.6
121.10159	1.6
128.98628	3.0
133.10130	1.9
145.10069	1.4
146.99652	3.5
149.97224	1.2
155.00113	1.7
155.14272	1.9
160.00459	2.5
161.01254	1.5
171.03294	1.5
173.01254	1.5
179.14384	1.2
185.04932	2.6
185.98354	1.6
199.06421	2.8
201.04309	1.4
203.05995	3.3
204.93028	1.2
211.06557	1.9
213.08038	4.8
217.07497	2.1
223.08423	2.1
225.08095	2.3
227.06062	1.6
229.07526	2.4
231.09088	4.3
237.08009	2.1
239.09627	2.8
241.11116	12.1
243.09088	6.1
245.10551	1.6
247.08661	1.5
255.09088	5.9
257.06989	3.7
257.10687	2.0
259.12155	17.2
260.09445	1.5
261.10138	2.8
264.12595	1.6
267.09177	5.0
269.10623	4.8
270.11252	1.2
273.10162	3.8
275.20160	1.6
279.09186	3.3
280.09805	2.8
285.10083	5.4
287.11728	2.2
297.10178	4.7
298.10922	6.7
307.15671	2.8
315.11276	1.6
316.12061	4.3
323.19101	2.6
331.15793	12.0
349.16837	72.6
350.17197	2.6
367.17902	100.0
368.18295	3.9
369.19174	1.8
372.18427	3.0
385.19189	5.1
390.19550	26.5
391.20157	1.3
408.20334	1.3
483.94910	1.3
495.23691	7.3
555.24963	1.3
581.23499	6.3
599.24823	2.8
627.24591	3.6
641.26642	1.3
659.28217	2.0
659.38269	44.1
660.38336	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.3824
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46088	0.7
55.05485	1.1
56.96563	40.5
56.96817	2.2
60.08150	0.7
65.13628	0.6
67.05466	2.0
67.71050	0.6
69.07033	1.1
71.19440	1.8
71.95261	3.6
72.96013	1.2
74.97565	1.2
79.05443	1.7
81.07010	2.6
83.08571	0.9
84.95979	1.5
85.02859	0.8
91.05461	1.4
93.06990	1.8
95.04894	0.6
95.08566	2.0
97.96786	1.1
98.97599	0.9
105.06976	1.4
109.06418	0.7
109.10150	1.0
110.97581	1.6
115.00678	1.2
116.53320	0.6
116.98569	1.3
119.08517	0.8
121.10090	1.0
123.01128	1.8
123.08900	0.6
128.98572	2.1
131.08525	1.1
133.01645	0.7
134.99689	0.8
135.11678	0.8
137.02678	1.5
139.00656	0.7
141.02145	1.2
145.01678	0.6
146.99678	3.7
147.03320	0.9
153.02194	1.3
155.03751	2.8
157.01685	2.0
159.03253	1.6
165.00723	1.0
165.02187	0.6
167.03761	1.2
169.01654	1.7
169.05341	0.7
171.03259	4.5
173.04829	1.7
175.02771	0.9
181.05399	0.9
183.03235	1.4
185.04842	7.7
187.02803	1.5
187.06352	1.1
189.04327	5.8
191.05872	1.1
193.05318	1.2
195.03242	0.7
195.06894	1.7
197.04803	1.5
199.02783	1.1
199.06424	9.3
201.04337	1.7
203.05910	7.5
205.07431	1.2
207.05247	0.8
207.06944	1.4
208.06502	0.7
209.04852	1.0
209.08527	0.7
211.06445	3.5
212.05865	0.8
213.05960	1.4
213.07967	16.9
215.05988	0.9
215.09477	0.8
217.07451	13.0
221.08568	1.3
221.10414	0.6
222.07935	0.7
223.06404	1.5
223.10240	0.9
225.07968	9.1
225.11409	0.7
227.09505	2.8
229.07402	2.5
231.06932	1.8
231.09018	22.5
236.09586	1.7
237.04390	1.0
237.07912	4.1
239.09540	7.8
240.08958	0.9
241.11095	2.2
243.09079	6.8
245.10670	2.9
249.07912	4.9
251.09473	16.8
253.07553	1.0
253.10597	0.8
254.10579	2.2
255.09048	25.3
257.10614	4.4
259.12320	1.2
263.09537	0.8
267.09030	30.4
269.10593	100.0
270.10956	1.6
273.10068	15.2
278.10544	3.6
279.09116	0.7
280.09766	1.0
285.10074	38.2
287.11661	40.7
290.10632	3.7
292.12204	18.2
293.21091	1.4
296.11691	1.2
303.11151	3.8
307.15958	1.1
308.11603	5.6
310.13336	3.1
331.15747	10.4
333.14780	0.7
349.16818	30.0
350.16888	0.7
367.17902	90.0
368.18231	2.2
372.18408	2.5
385.18948	10.6
390.19507	20.8
391.19958	1.0
408.20059	0.9
454.60535	0.6
463.23779	3.2
543.29810	0.7
547.29553	1.2
561.30737	10.3
577.30542	1.4
641.37671	2.4
659.38324	32.9
660.38544	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.2258
Annotation	Sorocein B
Peak:m/z	Relative Intensity
58.26708	10.7
63.09866	11.2
67.05492	25.1
71.12620	11.1
81.07051	31.9
83.13487	12.7
88.17529	12.9
89.06039	16.1
93.07031	30.1
109.10170	19.7
119.94791	11.3
147.11687	12.6
254.17574	17.3
397.77002	12.6
499.23514	12.7
659.22687	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.3821
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01818	0.4
56.96559	34.4
56.96813	2.2
67.05445	0.9
69.61331	5.1
71.95249	2.7
72.95997	1.0
74.80077	0.6
74.97579	0.6
76.81329	0.5
79.05448	1.3
79.64516	0.5
81.06991	1.7
83.08556	0.7
84.96027	1.1
91.05396	0.6
93.07006	0.6
97.96795	1.2
98.20699	0.9
98.97526	0.7
105.00105	0.7
105.07045	0.8
107.08514	0.7
110.97545	1.1
115.00665	1.3
116.98560	0.8
123.01112	1.5
127.00581	0.7
128.98528	2.1
133.01633	0.8
137.02681	1.1
139.00580	0.9
141.02147	1.4
145.01680	0.8
146.99663	3.2
147.03250	1.1
153.02151	1.0
155.03705	2.2
157.01674	1.1
159.03284	1.4
161.01144	1.4
161.04829	0.6
165.00728	0.8
167.03764	1.2
169.01663	1.7
169.05232	0.7
171.03284	5.4
173.04811	1.3
177.04356	1.1
181.05278	0.6
183.03270	1.3
183.06808	0.6
185.04822	6.6
187.02718	1.4
187.06319	1.0
188.45747	0.5
189.04344	6.7
191.05811	1.4
193.05258	0.9
195.06926	1.5
197.04773	1.7
197.08435	1.3
199.06395	8.2
201.04320	0.9
201.07738	0.6
203.05891	9.2
205.07333	1.4
207.05196	0.6
207.06918	0.8
209.04904	0.9
209.08453	0.9
211.06340	3.6
213.07944	10.1
215.05899	0.8
217.05557	0.7
217.07462	13.3
219.06978	0.9
221.08566	1.4
222.07980	0.7
223.06335	1.4
223.08223	0.9
223.10086	1.4
225.04300	0.6
225.07982	7.2
227.09521	3.8
229.07469	2.8
231.06892	2.2
231.08975	10.7
236.09547	0.9
237.04367	1.3
237.07874	3.9
239.05687	0.6
239.09497	6.5
240.09148	0.6
241.07315	0.7
241.11163	1.6
243.08971	4.8
245.10559	4.5
248.09645	1.0
249.07924	4.4
251.09489	10.3
253.07254	0.8
254.10611	1.2
255.09015	25.9
257.10587	2.3
259.12344	0.9
261.07922	0.7
262.08612	0.9
263.09555	1.1
265.07562	0.7
265.10645	0.5
267.09018	36.0
268.09454	0.6
269.10577	61.1
270.10901	1.1
273.10083	15.7
277.10995	0.7
278.10577	3.5
279.08914	1.7
280.09778	1.5
281.10666	0.9
285.10056	49.1
286.10513	1.1
287.11639	23.1
290.10629	4.3
291.12585	0.9
292.12192	8.7
296.11673	1.0
297.10022	0.6
303.11096	3.9
307.15784	0.9
308.11639	6.1
310.13199	1.8
313.14667	1.2
331.15768	12.1
349.16806	41.4
350.17184	0.8
354.16971	0.7
367.17896	100.0
368.18268	1.9
372.18512	3.0
385.18924	8.6
390.19482	19.2
547.29016	0.9
561.30823	5.4
577.30170	0.9
641.37054	1.3
659.38251	36.5
660.38580	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	658.5096
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00324	0.6
55.05502	1.6
57.03410	0.5
57.07071	100.0
58.07403	0.7
59.04996	21.0
67.05502	1.8
69.07063	2.6
71.08626	71.6
71.64688	1.2
73.06551	1.2
78.23694	0.5
79.05491	0.9
81.07061	1.5
83.08609	2.2
85.10175	61.3
86.10497	0.8
87.04465	5.6
89.06025	52.3
91.05448	0.7
93.07050	0.8
95.04957	0.7
95.08633	0.9
97.10162	1.7
99.11716	11.5
101.09635	2.0
103.07562	0.8
104.85126	0.4
105.07013	0.7
107.07046	1.8
113.13289	5.0
117.09121	5.5
119.08598	0.7
127.59886	0.5
130.08618	1.9
131.07021	2.5
133.08597	41.0
135.10062	0.7
139.63045	0.5
147.10136	0.6
155.17934	8.4
161.12981	0.6
169.14925	0.5
175.09630	1.9
177.11223	18.0
213.22118	16.4
221.13786	3.1
239.14807	1.0
254.24574	0.9
271.26248	5.5
272.26675	0.6
275.20062	0.6
283.17386	2.1
309.18936	0.9
327.19946	1.4
371.18356	0.8
371.22711	10.4
381.68326	0.6
411.25815	0.7
429.26575	1.4
459.27432	0.7
460.51575	0.6
480.10657	0.5
658.51208	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	658.3578
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05485	0.5
56.05022	0.2
56.58558	0.2
56.87133	0.2
57.07067	6.5
58.06590	2.4
61.02907	0.5
65.03909	0.7
68.04996	0.3
69.03419	0.4
69.07022	0.4
70.06580	19.1
71.08616	2.6
71.48502	0.4
71.48854	0.3
72.08138	0.5
74.06062	0.3
79.05463	0.2
81.07044	0.4
84.08105	0.7
85.02895	0.4
85.10144	1.0
86.09706	0.3
88.07615	20.6
89.22726	0.2
91.03894	0.3
95.08561	0.4
100.07578	0.2
102.09162	14.9
105.03355	0.4
121.02808	0.3
131.04895	0.6
132.10159	0.7
139.03847	0.6
146.11725	1.2
147.04384	0.8
149.02318	41.8
150.02605	0.3
153.06952	0.2
175.03845	1.2
177.05426	0.8
180.04066	0.2
188.42409	0.2
191.07036	0.4
193.04938	50.7
193.33324	0.2
194.05309	0.5
205.77266	0.2
212.23715	0.8
219.06511	1.4
225.05441	0.9
228.23251	0.3
234.98766	0.2
237.07535	11.7
256.26315	45.3
257.26633	0.7
269.04388	1.2
297.03845	2.6
300.28952	4.4
313.06992	2.6
335.25839	0.4
341.06485	11.1
343.08124	0.6
359.07559	7.3
385.09113	25.5
386.09534	0.7
403.10062	0.5
429.11743	28.8
430.11960	0.5
596.32104	0.9
640.34674	1.3
658.35754	100.0
659.36005	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	658.2906
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.8
55.01872	8.4
55.02082	2.1
55.05487	3.7
57.03428	2.6
61.02912	1.7
62.11130	1.7
67.05489	16.6
69.03419	4.0
69.07056	3.1
69.96462	1.6
70.06577	10.4
70.16752	10.1
71.01310	2.5
71.04977	2.6
72.08138	3.4
73.02926	2.2
74.64622	1.7
79.05482	10.0
81.03401	19.6
81.07059	11.7
82.61938	1.8
83.04956	4.7
83.08577	4.8
84.08130	2.4
85.02898	10.1
85.54355	1.7
86.09679	1.8
91.05476	12.7
93.07037	11.3
95.01337	8.7
95.04954	11.9
95.08587	5.5
97.02883	4.9
98.20765	2.1
101.58597	1.6
105.07003	8.0
105.25038	1.6
107.04932	11.7
107.08581	3.9
109.02863	4.4
109.06490	3.5
109.10147	7.2
111.04402	3.1
111.08041	5.0
113.02294	1.8
117.06985	5.5
119.04933	4.2
119.08559	6.1
121.02859	3.6
121.06487	7.5
121.10136	3.7
123.04383	6.5
125.02276	2.9
127.03885	2.9
129.07001	5.2
131.04904	3.8
131.08531	7.5
133.06464	6.4
133.10118	4.8
135.04390	6.5
135.08040	2.3
137.05983	2.5
137.09637	1.8
139.03882	4.0
141.06961	2.8
143.08562	5.1
145.06435	3.7
145.10127	3.1
147.04399	16.2
147.08076	3.0
147.11649	4.7
149.05984	3.7
151.03882	13.9
155.08623	2.4
157.06377	1.9
157.10103	7.3
159.04448	2.8
159.07980	2.0
159.11694	2.7
161.05959	5.8
161.09659	3.5
163.03860	7.3
163.07486	2.0
167.08511	2.8
169.04950	3.8
169.10133	4.5
171.04440	2.5
171.11667	3.9
173.05946	5.4
173.09505	1.9
173.11687	4.3
173.13081	2.6
175.03864	14.3
175.11171	8.1
177.05431	4.2
179.03326	3.8
183.08006	2.9
185.09583	3.3
187.03856	2.7
187.07639	2.9
187.11017	3.6
189.05400	4.1
189.12738	3.0
191.03329	3.2
193.12210	11.3
195.11565	2.0
197.09550	2.3
199.11230	4.7
201.08960	2.6
201.12793	3.0
205.12094	2.4
211.13261	3.5
215.10641	4.0
217.12172	2.7
223.11215	3.0
225.09085	3.9
227.10582	3.2
233.11804	4.9
241.12270	5.2
243.10138	2.6
245.11674	5.7
251.12778	4.1
255.10158	4.6
259.13229	3.1
261.11151	2.7
261.14938	2.4
267.15884	3.3
269.11688	6.5
271.09592	3.7
271.13327	3.2
273.11218	2.2
277.14359	2.1
277.70047	2.1
285.16943	7.6
287.12796	21.0
289.14365	4.7
297.11215	5.9
305.13608	6.9
307.15286	2.6
315.12146	12.8
323.14822	2.8
333.13251	16.7
351.14352	29.3
363.17902	5.2
365.15933	10.6
369.15067	3.6
371.16986	2.5
380.80457	2.4
381.19025	2.8
395.83936	1.9
407.16946	100.0
418.98581	1.8
425.18011	96.3
443.19067	66.4
444.18964	2.3
451.71198	2.2
461.20016	9.3
569.21704	1.9
587.23151	8.3
605.24683	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	658.2912
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.7
55.01855	3.3
55.05491	2.8
57.03413	2.5
67.05502	8.2
69.07044	2.3
70.06580	2.3
70.68566	2.5
71.04985	1.0
72.55754	0.7
73.02896	1.4
79.05499	6.6
81.03419	5.6
81.07059	5.6
83.04967	1.9
83.08575	1.7
85.02885	3.7
89.85635	0.8
91.05475	9.3
93.07035	4.6
95.01316	3.3
95.04960	4.0
95.08603	4.4
97.02887	4.1
97.06514	1.4
97.10139	1.1
105.07014	3.6
107.04977	4.6
107.08577	2.9
109.02850	1.2
109.06517	1.4
109.10158	7.0
111.04391	1.6
111.08058	1.1
115.05457	2.2
116.07072	0.9
117.07007	3.2
118.59824	0.8
119.04922	2.1
119.08581	4.9
120.26740	0.8
121.02890	1.4
121.06500	4.9
121.10138	1.5
123.00800	1.0
123.04383	2.8
123.08114	1.7
125.02325	2.1
125.05865	1.1
125.09588	1.2
127.03874	1.9
128.06215	1.1
129.06987	3.7
131.04887	4.9
131.08551	3.0
133.02907	1.0
133.06485	3.2
133.10135	2.6
135.04420	5.2
135.08061	2.0
135.11670	0.9
137.05952	2.3
137.09593	2.1
139.03912	1.1
141.01801	1.2
141.07004	1.3
143.08539	2.4
145.06467	2.9
145.10085	2.1
147.04413	8.5
147.07927	1.5
147.11668	2.2
149.02257	2.0
149.05969	2.4
151.03862	5.5
153.05386	1.2
155.08498	1.8
155.10580	0.9
157.06461	2.4
157.10091	3.1
159.04428	2.3
159.08073	1.6
159.11615	1.5
161.02277	1.1
161.05907	2.7
161.09625	1.1
163.03874	4.7
163.07491	1.9
165.01784	1.1
165.05478	1.5
169.04938	3.3
169.06284	0.9
169.10069	1.8
171.04352	1.8
171.08092	1.1
171.11644	2.3
173.05963	1.8
173.09592	2.1
173.11761	3.1
175.03906	10.5
175.07544	2.0
175.11157	2.7
177.05524	1.7
177.12753	1.6
179.03336	2.4
179.04832	0.8
181.10025	1.0
185.05951	2.5
185.09584	0.8
187.03893	2.3
187.07512	1.4
187.11131	3.2
189.05458	2.8
189.12759	1.2
191.03352	2.1
191.10625	1.1
193.12215	3.2
195.11768	1.4
197.09583	2.8
199.07526	1.3
199.11189	2.8
201.05405	1.3
201.09048	2.3
201.12654	1.5
203.03319	1.7
203.10660	1.8
205.12109	2.2
209.09822	1.0
211.13176	2.1
213.05377	2.4
213.09119	0.8
213.12714	1.3
215.10681	3.0
217.04976	1.2
217.12212	2.1
223.11220	1.6
227.10657	3.1
229.12238	0.9
229.14368	2.3
233.11708	3.4
235.13214	1.8
239.10588	0.9
241.12175	3.2
243.10074	3.6
243.13741	2.1
245.11670	3.4
251.10645	2.6
251.12877	2.0
255.10138	4.3
259.13278	3.7
261.11215	2.4
263.12854	1.1
269.11603	6.1
270.12213	1.0
271.09601	0.9
271.13297	3.1
273.11234	1.4
277.14404	1.4
279.12299	2.0
287.12753	20.3
289.14221	3.4
297.11072	3.5
305.13828	4.9
315.12183	12.2
321.13260	0.9
323.14761	2.8
333.13257	20.1
334.13397	1.6
347.14767	1.0
351.14359	5.9
353.66055	0.9
363.17914	2.2
365.15976	7.7
369.15280	2.9
371.17044	2.7
381.19061	1.4
383.16977	0.9
389.15646	1.8
407.16986	100.0
408.17371	3.0
425.18033	50.3
426.18326	2.2
443.19122	50.5
444.19226	2.0
461.20062	3.4
513.19122	1.1
587.23145	4.4
605.23773	1.2
658.24237	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	658.2905
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.6
55.01857	9.2
55.05502	7.5
57.03433	4.7
61.02917	4.5
65.03941	2.2
67.05505	18.3
69.03413	4.7
69.07057	4.3
70.06583	60.5
70.97967	4.9
71.01340	2.4
71.04959	2.9
71.06902	3.5
72.08148	11.2
73.02903	3.1
79.05487	13.1
81.03407	32.3
81.07063	16.2
83.04980	5.0
83.08617	10.0
84.04509	4.5
84.08129	6.2
85.02899	14.9
86.09708	11.1
91.05458	21.1
93.07022	12.4
95.01318	16.1
95.04964	16.8
95.08601	8.6
97.02881	10.8
97.06519	4.3
99.04393	2.8
103.05398	2.0
105.07026	13.8
107.04945	14.7
107.08608	7.8
109.02815	4.6
109.06467	6.1
109.10139	10.1
110.07190	2.5
111.04372	2.4
111.08073	4.0
112.08718	2.3
117.07021	10.1
119.04944	3.8
119.08588	9.5
120.08090	2.1
121.02818	4.5
121.06477	9.7
121.10107	5.4
123.04436	9.2
123.08070	3.5
125.02372	3.9
127.03883	3.6
129.06963	8.0
129.10181	3.7
131.04921	6.7
131.08505	13.0
133.02759	2.1
133.06465	7.4
133.10104	9.8
135.04414	7.1
135.08035	6.5
136.07584	6.7
137.05965	6.7
137.09605	2.9
138.47823	2.0
139.03818	2.8
141.01776	4.0
141.06996	4.3
143.08554	4.8
145.06451	5.8
145.10126	4.8
147.04408	13.6
147.07968	6.3
147.11652	6.6
149.05971	5.0
149.09602	5.0
151.03868	15.3
153.05441	3.1
157.06407	2.5
157.10117	8.7
159.04440	2.3
159.11694	5.3
161.02148	2.3
161.05972	8.1
161.09607	3.8
163.03848	6.0
163.07568	3.9
165.05568	2.4
169.04967	5.5
169.10152	4.3
171.11673	2.3
171.16008	2.1
173.05931	4.5
173.09579	3.5
173.11667	3.4
175.03896	17.9
175.07510	2.3
175.11154	6.5
177.05486	4.6
177.12810	3.6
179.03419	3.3
183.08017	3.0
185.13319	2.0
187.03923	3.4
187.07516	3.4
187.10956	9.6
189.05325	4.3
189.12738	3.1
191.03426	2.7
193.12262	21.6
197.09689	3.1
201.09077	2.8
203.10567	2.2
205.12143	3.5
207.13817	3.8
211.13264	3.8
213.08858	2.3
215.10585	4.8
217.12244	4.9
223.19434	2.1
225.09331	2.5
227.10712	3.4
229.14468	2.3
233.11664	4.4
241.12367	2.2
243.10094	3.9
245.11780	2.6
251.12984	2.7
255.10141	7.6
259.13379	3.2
261.11124	3.9
267.15863	10.4
269.11661	5.5
271.13214	4.4
273.11234	4.7
277.14203	3.7
285.16931	26.7
287.12823	15.7
289.14407	5.5
297.11078	4.7
305.13724	5.2
307.15411	2.4
315.12143	11.1
323.14941	4.2
333.13333	15.4
347.14694	2.5
351.10428	2.2
351.14392	29.0
363.17969	9.2
365.15952	20.8
369.15503	4.7
381.18811	2.9
383.16913	2.5
407.16943	72.0
425.18002	100.0
443.19089	86.3
461.20093	20.6
513.19354	2.5
587.22980	8.3
658.30774	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	656.3632
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.7
55.01861	3.9
55.05508	27.4
55.49773	1.2
57.03426	3.2
59.04998	2.0
61.02922	4.7
67.05502	24.8
69.03416	4.9
69.07060	7.0
70.06597	1.8
70.31570	5.7
71.04986	2.2
73.02867	1.3
74.37013	1.1
74.74383	1.2
78.95912	1.4
79.05483	22.9
81.03423	2.9
81.07047	22.0
81.24401	1.1
83.04980	4.1
83.08605	13.2
85.02894	4.0
85.06538	1.8
91.03943	1.9
91.05472	21.7
93.07043	12.4
93.24500	1.3
95.04968	3.3
95.08604	6.3
97.02897	2.7
97.06526	1.8
97.09576	2.1
97.10164	29.2
99.04482	1.4
103.05453	10.3
103.07650	1.2
105.07027	14.6
107.04975	2.8
107.08591	13.4
109.02901	1.7
109.06493	1.8
109.10169	6.6
115.05457	4.7
116.06288	1.4
117.07012	35.4
119.08559	8.9
121.06497	2.3
121.10180	2.8
123.08029	1.4
125.09622	24.0
128.06229	3.1
129.07001	13.9
131.04944	1.9
131.08553	20.0
132.51834	1.4
133.06459	4.8
133.10126	3.6
135.08070	5.8
141.07010	7.0
142.07777	1.8
143.08557	7.1
145.06479	7.0
145.10126	8.8
147.08044	2.5
147.11673	2.1
149.09619	3.6
153.07014	2.0
153.09114	2.1
155.08527	9.3
156.09187	1.6
157.06512	4.7
157.10098	3.0
159.08054	3.8
159.11638	3.1
161.09654	1.3
167.08571	2.7
169.10156	6.3
171.08130	1.8
171.11684	5.2
173.13263	3.2
175.11212	1.4
181.10193	2.5
183.11688	2.6
185.73378	1.3
187.14841	7.8
189.11198	12.8
193.10188	1.6
195.11717	3.2
197.13274	10.1
207.11635	1.4
211.14853	1.5
213.12769	1.9
215.14302	36.8
219.11629	2.0
223.11243	1.4
227.12738	22.4
227.14763	1.4
233.15295	2.0
237.12733	1.4
245.13966	2.0
251.14226	1.7
269.15231	1.4
271.16904	3.8
333.83087	1.3
339.23019	1.6
349.21521	5.2
367.22638	11.6
385.23654	12.5
403.24658	5.3
441.26306	54.4
441.32520	2.8
442.26678	1.5
459.27390	100.0
460.28055	1.9
477.28546	12.4
520.62793	1.4
603.31293	1.7
621.33417	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.3889
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51680	0.4
55.05507	4.5
57.03436	3.6
57.07070	40.6
61.02614	0.7
61.02920	13.0
67.05150	0.6
67.05499	10.5
69.03408	1.8
69.07058	8.5
69.58122	1.1
69.58532	3.4
71.08625	32.4
73.02911	5.3
75.04464	2.2
79.05486	0.9
81.03396	0.8
81.07051	16.4
83.08614	10.3
85.02895	13.9
85.06542	0.6
85.10176	19.7
89.06026	0.9
91.03944	12.6
93.07016	1.1
95.08598	25.5
97.02881	5.9
97.10162	6.8
99.04436	0.9
99.08080	0.7
99.11723	1.6
103.07552	0.7
107.08551	0.6
109.09415	0.8
109.10153	11.6
111.11697	1.9
111.23739	0.5
115.03946	0.9
119.08549	0.6
123.11703	5.9
125.13248	0.9
127.03896	4.5
137.13257	2.5
145.04922	6.2
151.14798	1.1
163.06026	7.8
173.13365	0.5
221.22643	1.3
239.23689	29.3
240.24042	0.7
245.00220	0.5
257.24750	3.5
298.27359	0.8
313.27338	100.0
314.27588	1.4
331.28421	14.6
433.20139	0.7
475.32770	0.7
549.24689	0.6
595.25970	0.7
637.26306	1.2
655.27441	4.1
656.27753	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.3895
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	5.4
57.03423	4.3
57.06804	1.8
57.07071	33.1
60.22626	0.9
61.02922	8.7
67.05506	11.6
69.03417	2.0
69.07064	8.6
70.48932	1.9
70.49360	2.9
71.08251	1.4
71.08626	28.4
71.96635	0.8
72.52084	0.9
73.02902	3.5
75.04456	2.7
79.05476	2.6
81.03405	2.0
81.07043	15.1
83.04955	1.2
83.08607	9.5
83.14593	1.0
85.02901	9.7
85.10173	15.6
89.06007	1.3
91.03952	7.9
91.05482	2.1
93.07016	2.5
95.04966	1.1
95.08598	21.5
97.02895	5.2
97.10161	4.0
99.11737	1.1
105.07021	2.2
105.87775	0.9
107.08584	1.2
108.25491	0.9
109.10147	11.0
111.11718	1.3
119.08553	1.5
121.10120	1.1
123.11694	3.7
125.09569	1.2
127.03888	2.5
133.10118	1.0
137.13177	1.4
143.08530	1.2
145.04913	3.6
163.06013	5.5
221.22560	1.8
239.23689	28.0
257.24771	3.3
298.27304	1.7
309.60715	0.9
313.27332	100.0
314.27652	1.4
331.28415	12.3
399.22116	0.9
460.22491	1.1
475.32727	2.2
527.62689	1.0
577.23517	1.5
595.25427	10.2
623.24670	4.5
655.27106	4.1
655.37946	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.3278
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	1.9
56.05024	0.6
57.03431	1.8
57.07064	1.0
57.22950	0.8
61.02919	8.3
64.49729	0.7
67.05495	16.3
69.03399	1.4
69.07053	6.7
70.06585	17.9
71.04968	2.5
71.08619	0.8
71.40913	1.7
72.04516	4.7
72.08134	2.2
72.57378	0.7
73.02900	2.7
74.06078	0.9
74.82105	0.8
79.05484	13.2
81.03396	1.7
81.07047	27.7
81.07530	1.5
83.04958	1.7
83.08610	5.4
84.04481	2.3
84.08142	1.7
85.02896	10.6
86.09686	3.3
91.03954	8.7
91.05473	7.3
93.07034	24.9
95.04946	1.5
95.08092	0.8
95.08610	5.6
97.02882	5.1
97.06519	2.9
99.08089	1.2
101.07127	0.7
102.05522	2.9
103.05441	1.0
105.06999	2.8
107.04958	1.0
107.08586	16.2
109.06537	0.9
109.10147	1.6
111.08074	2.6
115.05438	0.8
117.06999	4.3
119.04929	1.2
120.08053	2.5
120.62482	0.8
121.06515	0.8
121.10130	6.5
123.11690	8.2
123.98578	0.7
127.03876	3.2
129.10252	0.9
131.04903	1.2
131.08591	4.7
133.06471	0.8
133.10114	7.7
135.11667	4.4
136.07556	2.4
137.05988	7.8
145.04941	4.5
149.05995	0.9
149.13245	22.3
151.07478	1.4
151.11255	1.1
158.09636	1.2
159.11659	11.1
161.05974	1.6
163.05997	6.0
163.07388	1.3
169.10001	1.0
176.10716	0.9
176.14285	1.2
177.12746	5.4
186.12752	1.7
187.11214	0.8
191.06993	0.8
195.13773	21.6
204.13812	4.2
213.14801	1.7
222.14890	6.3
240.15930	32.6
241.16064	0.8
269.17447	9.1
296.18533	100.0
297.18909	2.4
314.19583	32.7
319.13452	0.8
340.13315	1.0
367.57315	0.7
400.19785	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.3279
Annotation	Unknow
Peak:m/z	Relative Intensity
54.51971	0.7
55.01852	0.6
55.05502	3.1
56.05017	1.1
57.03426	2.5
57.07053	1.0
61.02922	7.6
67.05499	19.4
69.03419	0.9
69.07067	7.1
70.06580	4.4
71.04985	2.3
71.09953	1.0
72.04506	4.8
72.08158	0.9
73.02898	2.9
79.05487	13.7
81.03400	1.4
81.07049	33.0
83.04995	1.0
83.08613	7.6
84.04493	1.3
84.08126	1.4
84.73959	0.6
85.02894	9.1
85.06511	2.0
86.09700	2.2
91.03952	7.6
91.05476	8.2
93.07038	25.5
95.04959	2.0
95.08603	7.2
97.02861	4.8
97.06514	3.1
99.04464	1.6
99.08099	1.5
102.05527	2.4
103.05424	0.8
105.07054	3.4
107.08590	17.2
109.02872	0.8
109.06477	0.8
109.10175	1.4
110.07146	0.9
111.08055	2.5
115.03903	0.8
117.07011	4.7
119.08552	1.6
120.08028	1.5
121.06504	1.4
121.10133	7.2
123.11703	9.9
127.03899	3.0
129.06984	0.8
129.10237	0.7
131.04941	1.1
131.08540	5.1
133.06436	0.9
133.10118	7.7
135.08095	0.9
135.11705	6.5
136.07549	1.5
137.05954	8.0
138.24780	0.7
139.22565	0.7
145.04962	3.2
145.10110	1.0
149.13245	28.3
150.13603	0.8
151.11214	0.9
158.09650	0.8
159.11684	12.1
161.05948	2.1
162.71541	0.6
163.06026	3.6
163.07272	0.8
167.14233	1.4
169.10146	0.8
175.07529	1.7
176.14375	1.2
177.12750	7.5
186.12744	1.6
187.11035	1.1
194.15401	0.9
195.13788	23.7
195.15619	1.3
199.07465	0.8
203.08499	0.8
204.13826	4.1
213.14801	1.5
222.14885	6.1
231.08041	0.8
240.15930	31.4
241.16229	0.8
251.10622	0.6
251.16397	0.7
253.08450	0.9
263.10913	0.7
263.43497	0.8
264.16083	0.8
269.17438	8.2
279.10138	1.0
291.10040	1.4
296.18549	100.0
297.19061	3.0
309.11215	0.9
311.12738	1.6
314.19580	26.2
315.20099	0.9
323.12958	1.2
428.62225	0.7
458.23749	5.1
476.24728	0.8
564.80084	0.7
593.16669	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.2756
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31767	1.7
53.03917	3.0
55.05510	19.5
57.07070	23.7
57.10830	1.8
67.05471	4.4
69.07061	3.0
71.04953	7.5
71.08604	2.3
71.75983	2.2
79.05453	2.7
81.07012	5.9
83.04970	100.0
89.06019	2.0
91.05452	9.9
93.07009	3.1
95.04949	3.3
95.08546	2.3
98.98440	4.6
105.06971	5.1
107.08517	3.3
115.05418	1.7
128.06165	6.1
129.06992	14.3
131.08556	3.2
133.10103	3.0
141.06882	6.2
146.09598	2.3
147.08055	10.4
147.11671	12.4
151.01566	3.3
157.07565	3.0
159.07956	2.7
175.01534	49.5
181.02588	64.3
187.01370	1.9
196.09917	2.2
209.10629	5.9
210.11429	10.0
211.12112	5.6
212.13092	2.1
220.09975	2.6
223.12318	9.7
224.12973	8.3
225.13858	42.7
226.14488	8.2
227.04684	25.8
235.12184	2.4
239.04593	4.0
239.15408	9.2
241.16896	2.3
249.13786	3.8
251.15379	2.9
253.13254	2.4
257.05573	8.0
265.13379	2.1
267.14893	23.9
269.12762	5.2
270.13422	6.7
283.10730	6.6
285.15811	4.0
293.12653	2.7
313.11951	48.8
321.15723	5.2
332.14127	1.9
339.16730	3.9
369.14423	2.3
369.18192	20.6
429.00101	2.0
466.20178	2.8
487.12274	6.7
493.17819	2.0
525.21252	2.4
543.18964	48.6
595.24603	5.4
599.25275	76.0
612.25977	13.3
613.25555	6.1
623.24780	14.8
637.25769	8.3
655.27527	89.0
656.27271	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	655.3118
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12897	0.4
67.05494	1.0
70.73252	0.6
70.73598	1.5
73.85128	0.5
75.04467	0.6
79.05470	0.6
81.07043	1.3
91.05465	0.5
93.07059	1.0
95.08619	0.7
108.56094	0.5
119.08563	0.8
279.17355	0.5
377.17645	0.6
390.18353	0.6
391.19357	1.1
392.19803	0.8
393.20572	0.7
405.16599	1.2
405.21259	1.1
406.17447	0.7
407.22397	4.5
419.18015	2.9
420.19388	2.1
421.20248	1.8
424.09564	0.6
433.20590	4.7
434.21088	5.0
435.21838	8.2
436.22797	0.9
447.17902	2.2
447.22418	1.7
448.18500	1.0
449.19958	2.1
461.19012	1.1
462.20285	5.2
463.20889	3.4
464.22543	0.8
475.21329	1.6
476.21857	1.1
477.22610	1.5
489.23038	1.3
495.23721	1.3
505.22421	1.0
507.21371	1.5
508.24658	2.0
509.25433	1.9
521.25641	11.6
535.25415	0.6
549.24884	17.4
550.25470	0.9
553.24487	0.5
563.27173	3.2
577.24518	1.0
581.27563	2.9
595.29260	8.8
607.29126	0.6
609.26978	9.5
623.28070	0.9
655.31097	100.0
656.31610	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	654.2385
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.1
55.01864	2.4
57.75459	0.9
59.18399	0.9
61.02921	1.3
69.03426	6.7
70.06581	7.1
71.76097	1.6
72.08140	2.6
73.02895	2.3
77.03986	1.0
78.04705	1.7
79.05479	4.8
81.03407	9.3
82.86047	1.1
84.04499	1.6
84.08166	2.2
85.02892	14.2
86.09713	3.0
87.00826	7.5
91.05466	7.0
95.04980	1.2
97.02888	5.7
99.04446	2.8
103.05473	3.4
104.06223	1.4
105.01857	3.4
105.07019	15.6
107.04942	9.9
109.02873	5.9
115.05458	5.5
117.01861	1.2
117.07003	5.4
119.04949	1.3
119.08549	8.7
120.08054	1.8
121.06521	1.3
123.04418	2.4
124.05175	2.6
127.03913	9.0
128.06245	3.3
129.07005	7.4
129.10243	1.6
131.04922	3.3
132.05719	7.3
133.06473	13.6
137.05960	10.8
141.07001	3.1
143.04875	1.6
145.04945	2.4
145.06487	2.8
147.08046	8.8
149.05925	1.9
151.03926	1.2
152.04657	2.1
157.06544	1.0
159.02881	4.8
159.08035	2.4
160.05223	5.1
161.05977	13.7
163.07559	2.3
166.64233	1.1
167.07030	63.4
168.07353	1.2
169.06528	2.6
172.05280	1.3
173.05992	3.7
175.07538	100.0
176.07925	1.3
179.07033	1.5
186.06709	1.3
187.07484	9.4
189.09119	3.3
190.06267	1.4
191.07056	7.9
193.08591	56.9
194.08998	1.9
199.07545	7.5
201.09094	5.1
203.08655	1.4
205.08548	8.1
206.07318	2.1
215.08714	1.2
217.08582	3.0
218.07285	2.8
233.09509	3.1
234.06786	1.3
235.09641	3.1
246.06779	1.4
247.07504	1.4
248.08076	1.3
249.09088	3.1
251.10619	1.0
260.08368	1.1
261.09174	3.9
263.06995	1.2
265.10718	2.3
266.09387	1.8
276.07703	1.2
277.08487	1.5
278.09332	2.5
279.09955	1.0
281.11710	1.3
289.08560	3.5
290.09201	1.3
291.10150	1.5
293.11615	2.2
295.09683	2.0
300.09857	1.0
306.08755	2.4
307.09726	1.7
309.11206	2.9
310.11826	1.3
321.11221	9.3
326.11438	1.4
341.13803	13.4
343.15494	1.5
353.13846	20.5
355.15347	16.9
371.14902	4.4
376.21591	1.1
477.57169	1.1
653.75049	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.4476
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	1.1
56.05069	0.3
57.07063	1.0
58.06325	0.3
58.06594	5.4
61.16410	0.3
65.67586	0.4
67.05463	0.5
69.07056	1.2
70.06581	0.7
71.08646	0.6
72.08146	3.3
72.88073	0.3
73.06545	1.7
79.05465	0.4
81.07053	0.4
83.04974	1.5
84.08130	0.3
85.08926	0.3
85.10160	0.8
86.09699	31.1
89.06030	0.7
89.56580	0.3
98.09682	0.5
98.20731	0.7
100.11246	100.0
101.06021	2.1
101.11567	1.1
107.08589	0.6
109.10150	0.4
112.07528	0.6
128.10719	0.7
133.08638	0.8
140.14421	0.5
146.11749	2.9
154.12247	0.6
154.15900	3.4
168.13853	1.0
172.13336	1.4
177.11304	0.3
182.15460	0.5
186.14908	1.4
200.16507	1.4
210.14859	0.6
214.14384	1.0
225.16058	0.7
228.15926	6.2
245.18724	0.4
275.20062	0.4
276.92218	0.3
285.21680	6.2
287.23260	0.4
299.23166	0.5
309.21631	0.5
313.21307	0.6
313.24780	9.0
314.25235	0.5
327.22827	1.5
341.24344	13.6
355.87161	0.3
363.70117	0.3
381.27441	0.5
409.27087	1.4
426.33273	0.9
439.64926	0.4
441.29074	0.3
454.32623	3.0
458.32382	0.5
472.33771	5.8
498.35333	1.0
519.33905	0.3
526.35016	0.4
540.36407	1.1
625.45313	32.3
626.45679	1.4
635.24957	0.5
653.44885	7.9
670.20062	0.4
680.16614	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	654.202
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	4.4
56.05033	3.4
57.03436	5.1
57.80137	2.6
69.03425	8.3
69.52436	27.9
70.06592	26.9
72.08134	4.3
73.02889	5.8
74.94180	3.5
76.03971	4.7
81.03402	4.7
83.04977	5.7
84.08145	4.7
85.02903	20.0
86.09679	3.3
89.49343	2.8
91.05448	5.1
93.03406	5.2
95.04932	6.9
97.02889	9.6
103.05452	10.0
105.03385	4.9
105.07043	4.2
107.04947	13.5
109.02881	5.6
111.04436	6.0
116.07074	18.8
119.04923	9.8
119.08507	3.4
120.08102	4.9
121.02868	58.1
121.06454	5.4
123.04413	4.5
127.03915	6.8
129.05553	4.0
131.04884	8.8
132.08054	5.4
133.06496	4.2
134.05960	5.3
135.04416	7.2
137.02303	10.1
137.05956	3.0
143.04948	3.7
145.06535	4.6
146.06067	5.0
147.04399	6.6
148.07579	26.5
148.83765	3.9
150.09131	4.6
151.03970	3.1
158.06104	3.9
159.90131	3.2
160.07556	17.0
161.05928	6.9
162.05487	6.5
163.03909	6.3
172.16594	3.2
175.03830	5.1
176.07091	28.3
177.01840	3.7
178.08614	10.5
179.03250	4.7
186.05492	100.0
187.03954	5.3
188.07031	7.0
189.01764	5.7
190.02536	3.5
191.03320	14.7
195.02914	9.3
201.05453	4.6
203.03389	11.3
204.06548	34.3
205.04907	5.6
207.02893	15.5
215.03435	8.0
217.04953	7.5
218.01563	3.1
219.02852	13.5
225.03860	7.5
229.04753	6.9
231.02925	3.5
233.04443	9.0
237.03871	6.0
243.02768	6.0
245.04582	4.0
247.06088	3.4
255.06430	3.7
257.04443	5.0
261.03940	8.6
269.07925	4.7
273.04037	8.1
281.07986	7.7
283.05908	7.6
285.04083	5.7
291.05093	5.8
293.04813	4.3
293.08005	14.2
294.05127	6.1
294.08154	4.2
295.06012	16.2
297.07581	7.2
299.05298	6.4
303.04919	4.5
307.05893	12.3
307.09164	4.3
308.06757	6.3
309.07428	10.9
310.04724	6.5
311.05469	22.8
311.09015	6.0
313.07092	12.8
321.07489	9.4
322.07657	4.3
323.05438	14.3
323.09064	10.8
324.08594	12.6
325.06992	20.6
331.06198	5.0
333.07254	4.5
335.08917	10.0
336.08798	7.7
337.06912	30.8
337.10455	4.1
338.07483	4.6
339.07681	4.6
341.06567	21.8
347.09180	8.5
348.08609	5.1
349.07031	7.9
351.08356	11.4
353.06522	14.5
355.07965	3.8
357.07013	3.6
361.06915	6.8
362.10217	3.5
363.08423	7.1
365.06259	4.2
365.10211	8.0
366.09839	12.5
367.08124	14.4
371.07889	5.9
373.06976	3.8
375.08032	5.1
377.06384	6.2
378.09604	11.3
379.08157	14.8
381.09253	3.8
390.09711	4.8
391.08203	11.9
393.08813	5.3
395.07571	14.9
396.10782	15.4
397.09293	5.8
403.07953	4.0
405.08557	4.1
407.07288	5.3
408.10437	4.8
409.09180	7.1
411.09589	3.7
414.11722	8.7
417.09448	4.3
420.10779	11.1
421.09042	11.4
425.08582	5.8
432.10791	6.8
433.09784	5.0
437.08224	5.2
438.11752	8.1
439.10181	9.5
441.10150	6.3
443.09650	7.8
445.09625	5.4
450.11731	4.4
455.09189	8.5
457.11169	11.3
459.11484	3.8
462.11475	7.9
468.12515	13.2
473.11139	19.7
474.13873	30.8
475.11880	3.6
477.12238	5.9
480.12753	11.4
481.11404	6.0
486.12885	4.8
491.11343	4.5
497.10901	6.7
498.13876	25.7
499.12064	11.4
516.15100	31.4
522.13464	5.7
523.12054	5.6
534.15875	17.6
539.11334	4.8
540.14844	6.2
564.14874	5.3
582.15338	6.9
600.16833	7.2
618.17645	6.3
636.18951	8.7
654.20184	7.1
654.35327	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	653.2599
Annotation	Trichagmalin B
Peak:m/z	Relative Intensity
71.73570	12.9
81.07050	15.4
82.15257	9.2
82.72300	8.4
93.23981	8.7
104.16450	9.6
229.49146	8.9
237.10353	15.9
239.11737	15.6
267.11240	74.4
269.47354	9.0
281.12793	27.0
325.11646	10.7
385.14099	29.9
386.14853	12.5
444.18793	9.6
466.14124	10.7
467.30795	9.8
491.17453	10.2
547.23273	11.6
565.23792	17.8
575.22656	33.2
575.80701	12.1
593.23743	39.0
597.27399	10.8
603.21991	30.8
607.24872	11.6
620.26495	75.9
621.23096	60.2
625.26483	43.0
635.24567	61.3
653.26160	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.2959
Annotation	Haplophytine
Peak:m/z	Relative Intensity
50.09896	1.5
51.66972	1.4
55.05503	2.7
60.73869	1.5
61.06532	1.7
64.84996	1.5
67.05479	4.9
69.07045	1.9
69.88297	11.8
71.30499	1.6
72.08139	2.6
79.05476	4.6
81.07039	5.0
83.08617	2.4
91.05452	3.5
93.07058	5.3
95.08586	4.7
105.07030	3.0
107.08566	3.4
108.08072	1.7
109.10171	2.4
117.07022	1.9
119.08558	2.0
120.08119	2.8
129.06906	2.0
132.08064	2.9
133.10095	2.7
194.63023	1.7
196.09798	2.4
202.16002	2.8
203.20528	1.9
209.10793	3.1
209.37701	1.7
211.12413	3.7
221.10760	2.8
223.08644	1.8
223.12244	4.1
224.09436	2.4
224.13060	3.1
225.10231	6.2
225.13818	2.6
237.10292	6.9
237.13864	1.9
238.11021	2.7
239.11794	7.5
249.10205	3.2
249.89145	1.7
250.11096	2.0
251.11740	8.0
252.12512	6.0
253.13293	5.2
263.11856	3.7
265.13391	5.4
267.11115	2.3
273.13962	1.8
277.13257	2.0
279.11087	2.0
281.12842	14.6
283.14368	1.8
284.73685	1.7
295.14487	4.0
296.22580	1.8
303.15033	2.1
311.13965	4.7
317.16360	2.6
327.13385	2.7
340.14581	2.8
353.15021	1.8
354.16046	1.8
405.20758	10.7
407.22415	2.9
413.17096	2.4
417.16562	2.4
419.22803	3.8
420.22748	2.1
431.18481	3.4
433.19931	12.8
435.21912	6.4
446.21286	4.0
447.22220	4.1
448.22751	3.7
459.21909	2.1
461.19601	61.7
462.20010	5.0
473.19351	2.2
475.20908	13.6
476.22177	11.8
489.22629	5.0
493.22089	3.5
518.22992	2.0
519.23425	2.2
534.26263	2.5
535.27551	7.8
547.23547	3.4
549.24817	4.9
562.25580	5.9
563.26520	17.6
575.26733	4.2
591.25989	3.7
593.27563	100.0
594.27893	8.7
603.25745	2.9
621.26990	16.4
622.27338	18.5
623.28076	6.9
625.30280	14.4
635.28503	10.9
653.29541	85.6
654.29614	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	652.411
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	0.6
59.04994	1.1
67.05489	0.4
69.03403	0.7
70.06574	3.4
71.74540	0.6
72.08156	1.4
73.02921	1.5
73.06541	2.5
79.05489	1.0
81.03418	1.3
81.07048	0.7
84.08145	1.1
85.02892	1.0
86.09702	1.1
87.04030	0.4
87.04466	15.4
89.06026	100.0
91.05474	0.9
93.07054	1.1
95.04953	0.7
97.02901	0.7
103.05479	0.6
105.07068	0.7
107.04957	0.7
107.07070	3.7
116.07080	0.8
117.09120	1.6
119.08539	0.8
120.08106	0.9
121.06480	0.5
129.10243	0.6
130.08643	1.7
131.04942	0.6
131.07039	3.4
133.08598	61.9
135.10199	0.9
136.07564	0.9
137.06006	1.2
140.07021	0.7
146.06030	0.6
146.74702	0.4
148.07503	0.7
149.02348	0.9
151.09683	0.5
157.08725	0.8
167.07074	0.7
168.06587	0.6
175.09723	2.5
177.11214	21.6
179.12782	0.7
193.40292	0.5
199.08751	0.6
204.06557	0.5
205.09813	0.7
215.11835	0.5
221.13823	3.1
225.10321	0.8
227.08070	0.8
239.14854	1.3
255.11313	2.2
265.16565	1.1
269.12866	0.9
271.10776	0.6
283.17480	1.2
287.13855	0.8
293.13586	0.8
297.12204	1.3
303.13455	0.8
315.13376	14.4
325.11978	0.5
327.20242	0.7
337.11948	1.1
371.22955	0.6
401.16925	0.7
490.19501	0.6
634.26056	0.7
635.26819	2.5
635.38129	2.4
652.27435	0.9
653.28278	2.4
658.27423	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	652.3893
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.6
55.05507	9.1
57.03434	6.0
59.04997	5.3
61.02912	4.9
61.61108	0.9
65.03905	1.9
67.05498	100.0
69.03424	2.5
69.07043	4.9
71.04985	20.4
71.73029	1.0
73.02911	1.8
79.05486	9.4
80.75002	1.0
81.03400	2.6
81.07046	63.9
83.04977	2.9
83.08610	6.3
85.02895	4.9
85.06539	8.9
87.45612	1.1
91.03931	1.1
91.05469	20.4
93.07040	12.6
95.04966	2.5
95.08598	9.2
97.02882	2.4
97.06544	2.6
97.10171	1.6
99.08098	1.1
105.07031	5.9
107.08586	9.1
109.06509	1.5
109.10143	76.9
111.08064	3.6
117.06998	1.6
119.08576	8.2
121.10133	3.5
123.11703	12.3
127.03929	1.1
128.25661	1.0
131.08578	2.2
133.10095	12.5
135.08066	1.1
135.11665	2.7
137.09624	4.3
145.10124	1.0
149.13252	4.2
150.57204	1.3
151.11131	6.6
155.10684	3.2
159.11734	2.5
169.12280	1.7
173.11710	17.5
177.12756	1.8
183.13835	3.4
184.82146	1.1
187.13295	4.0
195.13905	1.2
229.14328	20.7
243.15909	1.9
257.17490	1.5
269.17471	4.4
301.20047	9.5
313.16592	1.9
397.25821	78.2
398.26215	2.3
411.27271	4.5
423.27448	31.9
424.27902	1.8
455.30029	82.3
456.30399	3.9
559.14056	1.1
603.18463	1.0
609.97382	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	652.3532
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46389	1.9
53.03930	8.4
55.01874	11.7
55.02094	2.3
55.05501	17.7
57.03431	6.1
57.07077	3.3
58.99587	2.7
65.03944	3.0
67.01866	2.3
67.05500	42.8
69.03427	15.1
69.07062	17.7
70.06596	5.3
71.04978	8.2
71.73021	2.4
72.08157	2.2
74.00648	3.5
76.02225	19.0
79.05482	35.0
81.03413	33.2
81.07048	72.4
83.04969	7.6
83.08624	11.8
84.04499	5.3
85.02882	15.7
85.06548	4.3
89.06019	6.6
91.03967	2.2
91.05470	32.6
93.07034	31.0
94.07261	1.9
95.01344	2.4
95.04954	19.5
95.08603	23.3
97.02871	20.6
97.06510	8.3
97.10156	9.0
99.04445	8.8
103.04836	2.1
103.05492	2.7
105.07008	27.2
107.04935	14.4
107.08585	28.5
109.02866	69.5
109.06513	21.6
109.10143	24.2
110.07095	2.7
111.04426	6.7
111.08076	7.4
115.05393	3.0
116.01696	5.0
117.07034	15.0
119.04918	3.4
119.08569	33.3
121.06481	8.8
121.10142	15.3
123.04408	3.5
123.08059	9.8
123.11664	5.8
125.09586	6.7
126.09957	2.3
127.03901	37.3
129.06938	10.2
130.05020	4.0
131.08556	15.9
133.06467	5.7
133.08569	3.3
133.10129	16.1
135.08018	10.0
135.11710	10.2
137.05968	4.5
137.09578	6.0
143.08537	7.5
144.01129	2.1
145.04987	3.8
145.06483	4.8
145.10133	20.0
147.08078	10.6
147.11699	16.4
149.09636	12.3
149.13243	5.7
151.07512	2.4
151.11075	2.3
155.08498	5.7
157.10094	7.2
159.08026	5.3
159.11685	9.7
161.09618	8.5
161.13237	3.1
162.02202	6.4
163.11165	12.2
163.14798	3.4
165.09091	3.4
165.12759	4.4
169.10020	3.4
171.11656	5.2
173.09644	6.1
173.11725	4.3
173.13185	5.2
175.11179	6.6
177.09074	2.6
177.12711	4.2
179.04823	21.9
181.12227	4.4
183.08217	2.1
183.11694	2.8
187.11142	3.1
189.09203	2.2
189.11122	2.7
191.10658	7.2
193.12160	4.1
195.13788	3.3
209.11696	4.2
209.15279	3.0
215.18135	2.2
227.12779	3.5
229.12315	3.1
229.14214	12.1
233.05865	4.8
247.20676	3.2
257.19019	6.0
273.18573	12.3
275.20038	100.0
275.23065	5.1
276.20383	5.0
283.15396	17.9
291.19510	58.7
291.22775	3.5
292.19809	2.6
293.21100	37.0
308.09042	18.9
317.20889	3.1
355.22772	4.7
365.21060	6.4
383.22034	14.8
401.23236	30.3
402.16626	2.9
419.24005	11.3
437.25336	34.5
455.26248	6.3
480.28494	4.2
491.51663	2.5
505.19727	3.8
652.30536	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	652.3333
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	5.4
56.05001	1.6
60.36747	1.5
67.05497	14.6
68.05022	10.5
69.03433	1.9
69.05808	17.7
70.06586	14.7
70.99172	1.2
71.75483	1.2
72.08147	57.8
82.06577	2.4
82.59884	1.1
84.04491	1.5
84.08133	51.1
85.02910	1.7
85.04027	1.8
86.09711	4.4
91.05479	4.0
92.65676	1.4
93.07067	1.7
94.06573	2.8
95.04957	41.7
96.04464	3.8
99.09205	7.2
102.05559	1.9
103.05466	5.6
110.07155	2.5
113.07113	1.7
117.07001	1.5
119.04919	1.6
120.08088	60.6
123.05547	2.2
124.03944	41.1
127.08669	25.1
129.10266	3.0
131.04947	2.1
132.08066	1.6
134.09645	3.0
135.10388	1.5
136.07613	3.3
136.11192	21.7
137.05943	3.1
138.06326	1.2
138.12787	4.2
146.05962	2.7
151.07466	3.0
157.06488	3.8
159.08018	3.1
161.05969	16.5
165.05579	1.3
166.12265	33.0
166.41000	1.3
170.02373	1.2
171.07939	2.4
174.09117	22.4
175.07555	1.9
178.08638	2.7
179.11772	9.7
182.08086	2.9
183.14912	4.2
184.07555	3.5
184.26495	1.4
185.06056	1.8
186.09163	5.0
187.12352	3.4
194.11752	18.4
203.07008	32.4
203.11765	8.2
207.11267	2.8
211.14381	4.7
212.12807	3.2
213.10121	1.5
215.06961	1.6
215.11731	3.5
220.09668	53.8
226.57762	1.3
229.15355	1.9
232.09671	14.6
232.35605	1.2
242.12906	7.6
243.11252	14.4
248.13934	2.3
249.12318	46.1
258.12436	1.9
259.10730	2.4
294.14429	4.7
304.13037	2.2
315.16956	4.1
319.16547	2.6
342.18146	2.2
348.19107	10.2
354.18057	9.2
360.19147	32.8
372.18936	1.9
378.18164	11.0
388.18518	2.2
396.18872	3.0
406.19666	5.9
415.26938	1.9
423.20139	1.9
424.18652	13.9
441.21259	2.0
442.23184	2.6
459.26059	12.9
487.25479	100.0
488.25967	2.8
505.26556	16.8
515.23389	2.1
523.25500	6.6
535.25391	10.5
553.26849	2.4
561.23462	7.1
562.33478	2.0
606.32361	5.3
616.31262	8.7
617.29681	1.8
634.32294	82.6
635.32562	2.5
652.33582	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	651.4096
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	7.9
55.01874	6.1
55.05511	27.2
57.03432	12.6
57.07066	5.7
65.00037	4.0
65.03938	5.5
65.38818	3.5
67.05498	100.0
69.03425	20.5
69.07067	16.8
69.55310	13.5
69.55746	17.7
69.66020	4.0
71.04981	6.6
79.05494	28.9
81.03409	53.9
81.07056	62.7
83.04983	18.7
83.08623	16.0
83.66111	3.6
85.02917	4.0
85.06538	3.2
85.96888	3.9
86.28495	3.3
89.99091	3.6
91.05453	26.7
93.07031	29.1
95.04978	14.4
95.08586	45.8
97.02889	15.4
97.10168	11.1
99.04430	4.0
105.07010	24.9
107.05034	4.0
107.08592	22.1
109.02879	11.7
109.06531	6.1
109.10145	55.6
111.04459	11.1
111.08040	6.2
117.07015	13.4
119.08619	19.3
121.10133	16.8
123.11717	8.1
125.09642	13.8
127.03905	9.9
129.05487	12.2
129.06990	4.6
131.08549	10.8
133.10098	12.8
135.08051	3.7
135.11714	10.8
137.09593	6.3
137.13173	4.9
143.08586	9.6
145.10120	12.7
147.11693	6.7
149.13220	6.6
155.10677	4.8
159.11720	10.1
173.11746	16.2
173.13181	6.5
175.11206	3.9
183.11710	4.1
189.11191	17.9
211.17247	3.8
227.12796	14.6
229.14351	28.8
253.03682	4.3
261.22256	8.0
280.20911	4.3
299.15237	4.1
301.21478	5.0
303.23425	4.1
335.25745	12.0
337.27377	15.4
351.23083	4.6
369.24243	7.7
372.18634	4.3
373.18832	6.1
387.24927	5.3
489.35233	8.4
507.37073	5.4
517.42261	3.9
615.38306	5.2
633.39728	21.5
651.40491	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	650.3177
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	3.7
56.05028	2.1
57.07058	1.9
59.09846	1.1
67.05501	7.4
68.05019	11.4
69.02763	0.9
69.05802	19.8
69.07046	1.4
69.73567	6.2
70.06586	11.4
72.07763	1.5
72.08151	25.4
79.05487	1.6
80.05012	1.1
82.06571	5.3
84.08134	97.3
85.08488	0.9
86.09691	1.0
91.05470	4.0
94.06551	3.0
95.07320	1.2
96.04474	1.0
96.08118	4.8
97.07642	0.9
99.09199	0.8
99.48093	0.9
105.07017	0.9
106.06522	1.2
107.04960	2.3
108.08090	1.6
112.07596	3.5
115.05394	1.2
117.05801	1.2
119.04939	3.2
120.08096	1.4
121.06487	1.6
122.09648	23.9
123.04448	2.5
124.11282	1.0
129.07014	1.1
130.08679	1.0
131.07281	1.8
132.08060	6.0
133.06459	1.6
134.06007	18.7
134.09628	4.9
135.06758	2.5
135.10451	2.9
136.07559	20.8
136.11197	22.2
138.12750	9.3
141.07031	1.3
145.06477	3.8
146.05980	2.8
146.09659	1.7
147.04384	2.3
148.07574	2.1
149.02327	1.7
157.06494	2.4
159.07990	4.3
160.07591	3.7
161.09628	1.7
162.09073	1.6
165.05461	5.2
169.06505	1.5
171.08176	2.0
173.09583	1.4
174.09128	65.8
175.09534	1.2
175.11195	1.2
178.08647	1.3
179.11806	3.8
182.08121	3.4
183.08099	1.1
183.15007	1.4
184.07585	4.3
185.05948	3.2
185.09680	3.9
186.09088	12.0
188.10664	4.7
189.09058	9.3
190.12311	1.4
193.04874	1.1
198.09142	1.5
200.10716	2.8
202.08568	1.6
202.12286	9.6
203.11787	29.7
211.11226	1.0
214.08713	1.8
216.10229	1.5
217.13411	2.1
219.14909	9.6
220.09911	0.9
223.11194	2.9
228.13864	2.2
231.10213	4.0
231.14966	1.1
233.12865	2.4
238.12344	1.4
240.13817	4.0
247.14377	2.2
248.12735	11.3
249.12492	0.9
252.13843	1.2
257.16498	6.1
259.10846	2.6
265.15454	37.9
266.15756	1.1
269.16415	3.5
271.18073	2.3
272.16415	4.4
273.19589	1.3
275.13855	2.1
293.14923	1.7
297.16006	1.1
302.18567	5.1
314.18524	4.7
315.16953	1.2
317.18631	9.6
319.20166	4.5
321.14468	4.8
329.18494	1.2
330.18198	2.5
340.16583	1.4
342.18088	1.4
347.19745	1.3
358.17688	2.4
359.15909	2.2
360.19162	12.5
364.22354	2.5
374.20880	2.1
381.18100	1.6
387.20407	1.0
388.18622	1.1
392.21710	4.5
398.36292	1.0
420.21381	3.8
421.21179	4.9
432.22812	2.4
433.21353	1.0
434.24338	2.2
449.20544	3.4
449.25641	2.7
450.23822	6.3
462.24008	1.4
477.25098	1.2
478.23349	26.3
479.23483	1.4
486.27728	1.2
495.26004	20.6
505.24435	2.1
506.22897	4.0
522.22614	4.2
523.25494	28.6
524.25519	1.4
531.29614	1.1
551.24896	26.6
552.25946	1.0
559.29370	2.1
577.30286	6.6
578.32794	1.6
579.24854	2.1
587.28455	10.9
594.32941	4.3
604.31390	6.1
605.29700	11.5
610.21307	1.0
621.29370	4.1
622.32269	70.8
623.32556	3.5
632.30829	3.8
650.31757	100.0
651.32062	5.5
679.46704	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	650.2927
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	2.0
55.01850	4.5
55.05493	6.2
67.05508	11.0
69.03416	6.3
69.07047	5.6
70.06569	5.8
71.75071	1.8
77.70724	1.5
79.05489	10.6
81.03391	6.8
81.07053	9.9
82.06584	2.3
83.04955	1.9
84.04488	2.0
84.08125	3.0
85.02880	5.2
85.05267	4.7
86.09693	2.0
91.05474	11.6
93.07050	9.2
95.04955	5.4
95.08588	6.9
96.08131	3.0
97.02874	3.0
98.06043	17.0
105.07035	9.3
107.04941	2.7
107.08568	5.4
109.02917	2.8
109.06504	4.7
109.10135	2.6
112.07562	3.3
117.06974	4.0
119.08582	8.3
120.08113	1.9
121.06489	3.4
121.10140	2.7
122.09649	2.2
123.08058	2.1
124.07556	2.8
124.11214	4.0
129.06979	2.7
131.04918	2.9
131.08568	4.1
133.06483	2.2
133.10104	3.5
137.05937	2.4
137.09576	2.6
138.09135	2.3
142.07755	2.2
143.08539	3.1
145.06439	2.4
145.10091	4.6
152.10678	4.0
155.08490	1.9
157.10092	2.0
159.11708	1.9
161.05951	2.9
161.09557	1.7
163.03828	2.6
163.11206	2.2
165.08987	2.5
169.10109	2.4
173.09619	1.9
176.88293	1.7
179.07045	2.0
182.15291	1.6
189.05486	2.1
195.11761	1.9
196.13344	3.8
202.12175	1.7
204.13725	2.7
208.16988	3.6
339.19446	2.7
388.24716	3.4
393.00082	1.7
394.23163	1.9
398.26102	1.8
400.24738	2.8
406.23245	1.9
412.24802	40.7
424.24741	22.7
442.25851	37.3
460.26941	46.6
478.27979	100.0
606.35382	2.3
650.33325	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	650.2501
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76886	0.5
53.03930	0.6
55.01873	2.9
55.05509	5.2
56.05032	1.1
56.29299	0.4
58.99574	3.7
65.03920	0.6
67.05499	7.1
67.97447	0.4
69.03425	1.2
69.07047	4.1
70.02928	0.5
70.06575	1.3
71.04966	0.8
74.00658	4.0
76.02222	11.8
76.03983	1.1
79.05483	7.1
80.05000	1.9
80.05868	0.5
81.03395	1.7
81.07050	13.4
83.02758	0.4
83.04977	1.4
83.06097	2.5
83.08597	2.3
84.04496	10.7
84.08123	0.6
85.01134	0.6
85.02885	1.5
85.03999	1.1
85.06538	0.9
86.00643	1.4
86.99046	1.9
88.02205	0.6
91.05470	6.0
93.07033	5.3
94.06554	0.6
95.04959	2.7
95.08599	4.2
96.04475	0.7
97.01110	1.9
97.06544	0.7
97.10157	2.7
98.00611	1.1
99.01424	0.7
99.04496	0.4
99.05587	1.0
100.02188	1.0
101.00716	0.5
102.00136	0.6
102.05493	0.5
103.05443	0.7
105.07013	4.8
107.04945	1.6
107.08596	4.9
108.04446	0.7
109.06504	2.5
109.07612	0.7
109.10155	3.6
111.02656	2.1
111.08075	0.9
112.02183	6.6
113.00584	1.5
113.02946	1.1
113.04221	0.6
114.03735	2.1
115.05470	0.5
116.01662	7.7
117.07005	2.7
119.08565	4.9
120.08103	0.7
121.06479	1.7
121.10156	1.2
123.01453	0.5
123.02651	0.8
123.04333	0.6
123.08057	3.0
124.02170	4.9
125.04137	0.5
125.09619	1.7
125.99985	0.5
126.03710	1.6
127.02099	0.6
128.06206	0.8
129.06662	2.7
130.04991	3.0
130.06496	0.6
131.04509	0.4
131.08591	2.3
133.06503	1.0
133.10104	3.1
135.02629	3.4
135.08037	3.4
136.02138	1.4
136.03932	1.2
137.04126	0.7
137.09622	1.2
138.03717	1.1
139.02130	0.7
139.03194	1.5
140.01634	0.9
140.05318	0.7
141.04724	0.9
142.03191	2.5
143.08545	1.8
144.01141	2.7
145.06221	1.9
145.10118	1.0
146.09651	0.7
147.02586	0.7
147.08020	1.9
147.11662	0.7
149.04155	0.9
149.09622	1.5
150.03725	1.6
151.05745	1.8
151.07573	0.6
152.01654	1.5
152.05193	0.6
153.06551	1.2
154.06796	0.5
155.08302	0.7
157.10123	1.3
157.70059	0.5
159.08073	1.4
159.11691	0.6
160.11252	0.6
161.09644	1.8
162.02194	6.6
162.03616	0.8
162.68309	0.4
163.07556	0.7
164.05214	0.5
165.07365	0.7
170.02733	1.1
170.11719	1.0
171.11722	0.7
172.11229	0.8
173.09558	0.8
175.05711	0.6
175.11101	0.6
176.10754	0.6
177.03383	1.7
177.07321	3.1
178.06821	0.7
178.12274	0.5
179.04884	6.2
181.06137	1.2
185.03784	3.4
185.09724	0.7
187.05359	2.4
189.11284	1.1
192.08365	3.0
193.06866	2.0
194.09999	2.8
196.11665	0.6
197.06378	0.5
202.12152	0.5
204.08412	0.8
209.87775	0.5
215.04895	1.0
216.05602	0.5
222.09438	3.8
223.07947	0.7
223.10269	1.4
223.13129	0.5
224.11040	1.2
229.14326	0.9
231.04314	4.8
233.05925	3.1
240.10507	5.9
241.11259	6.1
242.12119	2.9
245.06030	0.7
257.07709	0.7
260.11182	0.5
262.14450	0.7
271.16959	1.1
278.12067	2.3
289.17947	4.3
291.19638	1.2
296.13037	0.6
297.12607	0.6
303.14075	1.0
308.09082	1.6
318.18982	0.7
320.16748	1.6
321.15173	5.7
325.15433	0.7
328.17343	0.7
329.15469	0.7
343.12985	0.6
344.14087	0.7
346.18384	7.2
347.16669	0.7
354.16690	0.6
356.14276	1.0
364.15158	0.6
364.19342	10.6
374.15204	0.8
382.16040	4.7
383.14426	1.0
400.17026	22.2
401.17316	0.7
403.20267	0.5
410.15424	1.5
418.18054	2.0
449.20862	4.0
450.19681	1.0
457.19260	3.0
467.22079	9.7
475.22400	0.7
478.27991	1.0
485.18698	2.6
503.19733	100.0
504.20056	3.4
521.21429	0.7
529.21112	0.9
533.23108	0.9
557.20978	0.8
575.21851	7.9
579.28351	0.8
596.26685	0.6
632.23407	1.3
633.22931	0.8
650.24396	4.1
650.34393	0.8
656.11725	0.4
661.00110	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.1158
Annotation	Unknow
Peak:m/z	Relative Intensity
56.81410	2.4
71.72353	3.4
94.93021	4.1
112.89602	13.6
114.89326	2.9
152.45116	2.6
152.58740	2.5
202.89130	4.1
213.69437	2.6
219.06917	2.9
232.90205	6.1
232.92322	3.3
251.99728	4.1
307.08688	15.4
367.10635	3.8
445.04007	4.0
487.05270	3.5
529.07605	7.8
613.13336	3.3
631.10547	26.3
649.11499	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.248
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	1.0
55.05493	1.4
56.92007	1.0
57.03423	9.2
57.38764	0.7
57.71708	0.9
69.03414	2.2
70.06573	5.0
71.01516	1.8
71.04981	45.4
73.02911	1.9
75.04466	1.9
75.71889	0.8
79.05457	2.4
81.03387	1.1
81.07068	1.5
83.04975	1.6
84.08128	2.9
85.02892	52.9
86.09680	1.4
87.04450	1.8
91.05453	4.4
94.04174	3.0
95.04939	1.4
97.02869	1.1
99.04440	1.8
103.05457	4.2
105.06998	3.1
107.04928	2.5
109.06498	1.9
111.04433	1.3
115.05429	3.1
115.99959	0.8
117.06988	2.0
119.08554	3.4
120.08071	3.1
122.03635	7.1
127.03882	1.7
128.06210	2.9
129.05464	9.8
129.06970	2.2
131.04900	7.5
132.05678	2.7
133.06474	2.5
134.03598	1.0
137.05956	100.0
138.06303	1.9
141.06966	2.1
145.06453	1.2
147.06471	1.9
147.08022	5.6
149.01234	1.1
149.05917	1.3
151.07492	2.0
159.08035	2.3
160.05206	2.4
161.05948	14.6
163.07523	16.5
167.07040	1.1
168.05672	1.0
169.06412	1.6
171.08003	2.1
175.07523	52.5
177.09052	1.5
184.05165	1.6
187.07530	5.2
189.08937	0.9
191.08517	3.9
199.07512	21.9
201.09071	2.5
202.07744	2.9
203.08543	8.8
207.07942	1.4
211.07422	0.9
213.16022	0.9
215.08606	1.2
217.08591	1.5
218.07195	1.0
219.08089	4.5
220.08740	1.3
221.09657	0.9
223.17352	0.9
230.07182	1.3
231.07980	10.6
232.08698	2.1
233.09523	1.1
235.11163	1.1
245.09656	1.1
247.07463	4.5
248.08260	4.8
249.09041	2.1
251.10573	5.5
259.07513	6.9
260.08200	3.7
261.09067	1.7
263.10699	7.3
265.08670	1.8
275.07263	1.4
276.07791	3.5
277.08600	4.4
279.09988	4.4
280.10657	1.6
291.10098	13.4
292.10831	5.2
293.07956	2.4
293.11429	1.2
295.13382	1.4
307.13171	0.9
308.10379	4.3
309.10999	1.0
311.12750	15.4
315.10123	1.2
323.12695	32.2
324.13092	1.3
325.14163	4.4
335.12692	2.0
341.13675	1.0
347.12933	1.1
349.81802	1.0
353.13770	1.4
365.13449	1.3
377.14069	1.0
421.15976	1.4
439.17380	2.6
649.26886	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.0176
Annotation	Unknow
Peak:m/z	Relative Intensity
71.38934	0.6
94.93007	8.5
99.31878	0.3
112.89641	0.4
186.91478	0.5
202.89085	100.0
203.89493	0.6
216.82813	0.3
216.90710	2.6
218.92221	3.0
220.89214	0.3
232.92207	1.3
244.90166	4.5
246.88057	7.0
260.89661	0.3
284.83401	0.4
306.90167	74.0
307.90515	0.7
324.90305	0.6
342.91415	0.4
366.91360	1.3
378.91101	0.3
381.07767	0.5
449.86124	0.3
545.68134	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	648.4832
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.0
55.01871	2.1
55.05505	14.7
56.03528	2.2
57.03426	3.3
63.46419	1.7
65.54133	1.9
67.05500	28.0
67.48239	1.6
69.03438	2.2
69.07058	10.3
71.04994	3.0
71.73741	2.0
79.05492	27.4
81.03429	3.6
81.07050	69.5
83.05004	4.4
83.08614	11.9
91.05470	24.0
93.07032	20.7
94.92863	2.1
95.04949	7.8
95.08614	18.6
96.08840	2.1
97.06526	5.4
97.10135	3.0
105.07026	24.8
107.04946	12.1
107.08578	15.3
109.06503	26.1
109.10155	6.5
111.08062	5.1
114.04832	1.8
117.07017	6.0
119.08582	19.9
121.06490	4.2
121.10147	12.9
123.08047	6.4
125.09623	2.1
129.06935	2.1
131.08551	11.0
133.10115	16.1
135.08018	4.8
135.11700	3.6
137.09583	4.1
145.10124	10.7
147.08058	2.1
147.11685	16.9
149.09589	7.0
149.13242	7.4
151.11125	2.9
155.08549	2.4
157.10115	4.8
159.11691	7.2
161.09575	2.9
161.13251	2.7
163.11162	6.2
163.14796	3.0
165.12775	5.1
171.11693	2.7
173.13228	3.8
175.11150	4.8
187.14848	2.2
193.12250	5.3
229.19542	3.8
231.21158	1.7
239.17975	3.3
247.20628	6.6
257.19141	9.7
275.20050	100.0
293.21100	14.0
321.24231	35.7
466.42511	2.1
525.50104	2.2
567.40570	2.3
671.01489	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	648.3022
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	0.7
55.87387	0.3
68.05025	5.1
70.06586	2.2
70.99499	0.4
70.99825	0.9
72.08149	7.0
82.06583	0.7
84.08142	3.3
91.05468	4.6
94.02911	3.9
94.06542	0.5
96.04472	0.7
97.13279	0.4
107.04935	2.4
111.05543	0.9
115.05432	0.4
116.79422	0.3
118.06508	0.4
119.04938	3.5
120.08116	0.5
121.06470	2.1
128.06165	0.5
129.06999	0.7
131.04897	1.0
131.08553	0.6
132.08109	0.7
133.06468	1.4
134.05972	0.7
135.06802	0.8
136.07562	18.7
141.06976	0.5
141.33214	0.4
142.07756	1.4
143.08554	1.6
144.05682	0.9
145.06453	1.8
146.05983	1.6
146.07031	0.4
147.06746	0.4
148.07535	2.3
151.66882	0.4
155.08466	0.4
157.06471	2.3
157.10117	3.3
159.06808	0.6
159.08034	2.5
159.11658	0.4
160.07553	4.5
161.08345	0.4
161.09587	1.3
162.09103	0.5
163.07520	1.8
165.05490	0.4
167.08545	1.4
170.07266	8.3
171.07973	0.9
172.07570	2.9
172.11104	0.4
173.09610	2.3
174.09094	1.2
175.11266	1.8
176.10667	2.9
177.05450	0.3
177.09105	1.0
183.08038	1.2
185.09604	42.3
186.09929	0.6
186.12782	1.2
187.11205	1.9
188.10664	0.7
189.09087	4.3
190.12267	4.5
200.10707	7.5
201.11418	2.1
202.12250	100.0
203.10736	0.6
203.12601	1.5
204.13882	2.0
205.08528	0.8
207.70567	0.4
212.10712	1.3
213.09006	1.7
214.12274	1.1
217.13362	0.6
219.10294	0.8
219.14903	5.6
220.13275	2.5
222.91389	0.4
228.10205	0.9
230.11755	1.1
231.10158	5.5
235.14415	1.3
236.12703	0.6
239.14174	0.5
242.11742	0.4
245.12917	0.9
246.11160	0.5
248.12805	17.7
249.13147	0.4
252.13730	0.8
256.16962	1.1
258.18555	0.5
263.13901	0.6
265.15463	21.4
266.15833	0.4
269.16376	0.4
273.19571	1.2
274.18036	1.1
275.09244	0.3
275.13989	0.6
275.21304	0.4
291.13486	0.8
295.14444	4.1
301.19122	1.2
302.17725	0.4
312.16849	1.8
319.20193	3.2
320.16327	1.8
322.18079	0.9
323.13739	0.7
327.16983	0.4
329.18472	0.5
337.19125	2.3
338.17426	1.1
339.20618	1.0
340.16522	8.9
344.19614	3.8
346.21158	0.6
346.40112	0.4
347.19659	7.9
358.17575	6.7
365.18582	1.1
366.16916	1.8
372.19180	1.0
383.19537	3.6
385.20316	0.4
386.17059	6.1
390.20383	0.5
411.19159	11.6
411.23956	1.2
430.21118	1.2
439.23373	6.0
457.24652	0.5
458.20654	1.6
462.24179	0.6
464.25470	1.1
475.23352	1.3
476.22156	0.6
485.23886	3.0
486.19666	0.4
503.22891	3.9
504.21262	2.3
507.26093	0.8
510.26062	5.1
521.23901	6.1
531.21936	0.6
535.25232	0.8
549.23370	8.1
553.26422	1.2
555.28577	0.5
557.27460	1.3
574.30353	4.9
575.28546	1.6
585.27008	10.4
586.26935	0.6
602.29663	36.7
603.28589	2.3
620.30713	3.7
630.29254	2.4
648.30334	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	648.3024
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	3.6
57.07095	1.6
62.93545	1.2
67.05511	7.2
68.05019	14.0
70.06582	5.2
71.39925	2.9
72.08149	18.2
82.06571	3.1
84.08137	76.9
88.07619	1.3
91.05478	15.8
94.02914	13.9
96.04479	2.2
96.08134	2.0
99.26769	1.1
105.07045	2.0
107.04961	6.5
110.06012	3.6
111.05563	2.4
117.06989	1.1
119.04940	14.1
119.05727	1.9
121.06503	6.6
121.19229	1.0
123.04446	1.9
129.07021	1.3
131.04901	1.7
131.08577	1.3
132.08099	2.7
133.06493	3.1
134.05995	2.0
134.09619	1.8
135.06793	2.3
136.07568	70.1
138.12778	4.0
142.07800	1.8
145.06473	2.5
146.05998	4.1
146.07190	1.1
147.04407	3.1
148.07553	3.7
149.02309	1.4
153.06613	1.4
155.08195	3.5
157.06514	2.0
157.10152	3.7
159.08015	3.1
160.07579	8.1
161.09630	3.6
165.05504	2.9
170.07281	6.8
171.08017	1.2
172.07594	8.5
173.09576	3.0
174.09145	5.3
174.10490	2.4
175.11182	3.6
176.10704	1.9
177.10297	2.1
182.08162	1.9
184.11201	1.2
185.09616	33.2
187.11148	2.2
188.07123	1.7
188.10641	1.2
189.09088	12.6
190.12289	8.7
200.10658	7.8
200.20059	2.4
202.12257	100.0
203.12717	2.2
206.08020	1.3
209.12862	3.6
212.10632	1.4
213.08995	2.1
217.13474	1.6
219.14931	15.8
220.13286	3.1
229.09747	2.5
231.10153	13.0
235.14377	3.8
246.12329	2.1
248.12813	56.0
259.28821	1.2
263.13895	1.7
265.15457	32.3
274.17999	1.2
275.13821	1.6
295.14398	2.5
312.16946	4.6
319.20251	4.2
323.14053	1.3
337.19214	2.6
338.17206	1.3
339.20599	2.1
340.16544	17.7
344.19672	6.4
347.19586	8.8
358.17642	10.2
365.18558	3.2
366.17188	1.7
372.18994	1.4
383.19659	10.8
386.17078	27.2
390.20212	2.8
411.13730	1.9
411.19147	30.0
418.19678	1.4
423.56824	1.1
439.23331	10.1
457.24280	1.8
475.23291	1.8
485.24011	13.2
503.22885	4.3
504.21265	4.5
507.25739	3.1
508.23880	1.2
510.25848	10.7
521.23810	9.9
527.28674	2.0
531.22266	1.5
535.25580	2.0
549.23486	16.7
553.26422	9.3
555.28143	3.3
557.27765	1.6
574.30151	4.0
585.26892	5.1
602.20380	1.7
602.29779	25.6
603.28326	4.7
620.30713	12.6
630.28961	3.0
648.30585	13.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	648.3021
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05488	1.4
56.38298	0.4
68.05019	5.2
69.57904	2.1
69.58325	0.9
70.06590	2.9
72.08147	6.7
82.06563	0.4
84.08134	1.2
91.04977	0.5
91.05477	4.8
94.02931	3.9
95.04984	0.3
95.06149	0.3
96.04470	0.9
105.06999	0.6
107.04941	2.2
111.05566	1.2
115.05417	0.3
118.06562	0.4
119.04937	3.9
120.08060	0.7
121.06521	2.7
121.72755	0.4
129.07027	0.6
130.06477	0.4
131.04904	1.2
131.08592	0.7
132.08098	0.7
133.06459	1.7
134.05963	1.1
135.06807	0.9
136.07568	20.2
142.07765	1.2
143.08521	1.7
144.05611	0.7
145.06461	1.4
145.10065	0.7
146.05988	1.7
147.04370	0.9
147.08038	0.6
148.07570	3.2
157.06499	2.5
157.10103	3.4
159.06918	0.4
159.07993	2.3
159.11717	0.7
160.07556	4.7
161.05876	0.4
161.09575	1.4
162.09073	0.5
163.07542	1.5
167.08501	1.8
169.10114	0.8
170.05815	0.5
170.07256	9.7
171.07948	0.8
172.07594	3.1
173.09599	2.4
174.09111	1.3
175.11194	2.6
176.10713	2.6
177.05428	0.5
177.09062	1.1
183.08067	1.0
184.11150	0.8
185.09604	44.7
186.12772	0.7
187.11223	2.0
188.10651	0.6
189.09113	4.1
190.12238	5.2
200.10707	9.3
201.09044	0.4
201.11458	2.0
202.12251	100.0
203.10738	0.6
203.12648	1.1
204.13812	2.0
205.08575	1.5
212.10686	1.6
213.09073	1.6
214.12212	1.3
217.09966	0.3
217.13380	0.5
219.10143	1.1
219.14891	5.1
220.13272	2.3
228.10075	1.1
230.11716	1.0
231.10162	6.1
235.14424	0.7
236.12766	0.6
239.14432	0.4
245.12753	0.7
246.12105	0.5
248.12810	15.5
252.13844	0.8
256.16986	0.8
258.18481	0.9
265.15451	21.9
266.15509	0.5
273.19556	0.9
274.17987	1.1
275.21112	0.7
284.16464	0.5
291.13342	0.6
295.14420	3.9
301.19037	0.9
312.17038	2.3
319.20020	3.5
320.16458	1.6
322.18103	1.8
323.13846	1.0
337.18951	2.0
338.17526	1.9
339.20947	0.5
340.16534	9.6
341.14557	0.7
344.19589	4.0
347.19617	7.2
358.17563	5.8
365.18616	1.2
366.17068	1.7
368.16107	0.5
372.19012	0.8
383.19696	4.7
386.17059	5.6
394.21274	0.6
396.15680	0.4
411.19150	11.6
411.23978	1.1
430.21338	1.0
439.23441	5.9
447.16898	0.6
457.24435	0.5
458.20657	1.2
462.23767	0.5
464.25415	0.8
475.23190	1.0
476.21387	0.5
482.26791	0.5
485.23840	2.2
486.20084	0.8
503.22943	2.8
504.21411	2.3
507.25955	1.4
509.27548	0.4
510.25946	4.9
521.23785	6.5
532.05585	0.4
535.25250	0.8
549.23395	7.3
553.26630	1.4
555.28021	0.6
557.27509	1.6
574.30115	4.1
575.28802	1.0
585.27051	8.5
602.29669	38.6
603.28571	2.8
620.30609	3.1
630.28735	2.4
648.30304	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	648.3021
Annotation	Unknow
Peak:m/z	Relative Intensity
54.91994	0.3
55.05499	1.7
56.93887	0.3
58.54247	0.4
66.37086	0.3
68.05023	5.2
70.06590	2.8
72.08148	7.0
80.05002	0.7
82.06541	0.5
84.08141	2.1
91.05466	4.8
93.15761	0.3
94.02917	3.8
96.04476	1.2
98.21471	0.8
100.73557	0.3
103.44724	0.3
105.07016	0.6
107.04937	2.7
111.05556	1.0
111.33659	0.3
119.04932	3.4
120.08076	0.8
121.06489	3.0
124.11232	0.5
129.06984	1.0
131.04889	1.2
131.08540	1.0
132.08081	0.6
133.06480	1.6
134.06021	0.9
135.06787	1.2
136.07564	18.0
137.05957	0.7
141.07005	0.4
142.07748	1.8
143.08528	1.6
144.05688	0.8
145.06442	1.8
145.10066	0.7
146.05986	1.5
147.04445	0.4
147.06860	0.4
148.07564	3.8
149.05952	0.6
155.08482	0.4
157.06497	2.5
157.10132	3.7
158.07213	0.4
159.07997	3.1
159.11673	0.7
160.07549	5.5
161.08392	0.5
161.09616	1.6
163.07498	1.5
167.08546	1.4
169.10126	0.8
170.07260	10.3
171.07999	1.0
172.07549	3.0
172.11197	0.5
173.09569	2.2
174.09096	1.2
175.11174	2.8
176.10690	3.1
177.09106	1.7
183.08028	0.6
184.07509	0.5
184.11208	0.8
185.09602	44.0
186.10100	0.5
186.12714	0.7
187.07481	0.7
187.11162	2.5
188.10674	0.6
189.09067	4.3
190.12282	5.2
200.10696	8.4
201.11601	1.8
202.12251	100.0
203.10791	0.4
203.12572	1.7
204.13876	2.0
205.08609	1.1
212.10686	1.0
213.09167	1.7
213.11127	0.5
214.12250	1.3
219.10138	1.1
219.14906	6.1
220.13263	2.4
228.10197	1.2
229.13312	0.7
230.11723	0.8
231.10147	6.4
235.14333	0.8
236.12813	0.7
242.11624	0.5
246.11197	0.6
248.12801	17.0
250.12192	0.5
252.13844	0.8
255.11234	0.5
256.16830	0.6
258.18527	0.7
263.13794	0.6
265.15448	22.0
273.19586	1.1
274.18021	0.9
275.13977	0.4
284.16479	0.5
291.13617	0.7
295.14328	4.4
301.19104	1.3
312.17014	1.8
318.21490	0.6
319.20145	2.8
320.16388	1.5
320.19733	0.4
322.17886	1.0
323.13913	0.7
327.17020	0.5
337.19150	1.9
338.17517	1.5
339.20605	0.7
340.16531	10.1
344.19601	4.0
346.21289	0.6
347.13071	0.4
347.19632	8.4
358.17572	6.2
365.18524	1.2
366.17166	1.9
366.21359	0.4
372.18954	0.8
383.19626	4.3
386.17093	4.4
390.20166	0.5
394.21094	0.5
411.19168	10.9
411.23990	1.2
430.21130	0.7
439.23401	6.3
457.24271	0.8
458.20578	1.4
464.25342	1.5
475.23221	1.1
476.21967	0.6
485.23938	2.6
492.24670	0.4
503.22797	3.3
504.21005	1.8
507.26172	0.7
509.27417	0.7
510.25958	5.7
521.23993	6.8
527.28760	0.6
531.22345	0.6
532.20697	0.5
535.25275	1.0
549.23383	7.5
553.25909	0.8
555.28131	0.8
557.27454	1.8
574.30328	4.0
575.28442	1.6
585.26996	9.2
586.27814	0.5
602.29694	39.0
603.28705	2.5
620.30621	3.8
630.29022	2.2
648.30304	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	648.302
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01835	0.2
55.05499	1.3
56.05009	0.3
57.05789	0.3
60.67802	0.1
67.05467	0.2
68.05021	5.7
70.06580	2.3
72.08144	6.6
79.05461	0.4
80.04986	0.5
81.07031	0.2
82.06579	0.8
84.08134	2.1
86.09666	0.2
90.57410	0.2
91.05463	5.4
93.07018	0.3
94.02323	0.3
94.02916	4.8
94.06550	0.3
95.04939	0.2
96.04465	1.1
96.08120	0.4
98.21048	1.0
103.05495	0.2
105.06986	0.6
107.04942	2.2
109.06462	0.2
111.05553	1.0
115.05409	0.4
117.05756	0.2
117.06985	0.3
118.06496	0.4
119.04147	0.3
119.04929	4.0
120.08050	0.4
121.05697	0.2
121.06495	3.1
127.08644	0.2
128.06203	0.2
129.06990	1.2
130.06534	0.2
131.04910	1.0
131.07214	0.1
131.08589	0.8
132.08124	0.7
133.06490	1.6
133.10059	0.2
134.05951	0.7
134.09642	0.2
135.06766	1.0
135.07950	0.2
136.07561	18.3
141.06978	0.6
142.07759	1.6
143.08546	1.8
144.05757	0.7
145.06480	1.8
145.10068	0.4
146.05980	2.0
147.04338	0.6
147.06761	0.5
147.08008	0.5
148.07552	3.3
149.05939	0.4
152.04285	0.1
152.06183	0.2
153.06671	0.1
154.07716	0.2
155.08427	0.2
157.05266	0.3
157.06465	2.8
157.10104	3.9
158.05936	0.2
159.06755	0.4
159.08025	2.8
159.11679	0.8
160.07549	5.7
161.09612	1.8
162.05507	0.2
162.09093	0.5
163.07526	1.8
165.06905	0.2
165.10248	0.2
167.08559	1.9
169.06403	0.3
169.10078	0.6
170.07246	9.9
171.07993	0.9
172.07555	3.4
172.08945	0.2
172.11171	0.5
173.08269	0.2
173.09596	2.3
174.09117	1.3
175.11169	2.6
176.10667	3.3
177.09090	1.6
183.08052	0.9
184.07527	0.4
184.11179	0.9
185.09598	46.8
186.09081	0.2
186.10101	0.3
186.12773	1.1
187.07401	0.3
187.11168	2.4
188.07108	0.2
188.10654	0.7
189.09082	4.4
190.12245	5.4
191.08167	0.3
194.08113	0.4
195.07924	0.2
198.09206	0.3
200.10693	9.5
201.09061	0.2
201.11485	2.1
202.12241	100.0
203.10617	0.7
203.12563	1.3
204.13814	1.6
205.08499	1.1
206.08257	0.2
210.09093	0.3
212.10626	1.1
213.09068	1.5
213.11407	0.4
214.12273	1.2
217.13383	0.5
218.11421	0.2
219.10205	1.3
219.14911	5.6
220.13281	2.8
220.15228	0.3
222.11122	0.3
226.08443	0.2
227.11748	0.2
228.10162	1.3
229.09570	0.2
229.13341	0.4
230.11757	0.9
231.10139	6.8
235.14276	0.8
236.12732	0.9
239.14285	0.2
241.13452	0.2
242.11768	0.3
245.12805	0.7
246.11148	0.3
248.12793	16.0
249.13103	0.3
250.12288	0.2
252.13771	0.6
255.11270	0.4
256.16895	1.0
257.12790	0.2
258.18570	0.6
263.13913	0.4
265.15436	21.1
266.15558	0.3
269.16174	0.2
273.12317	0.4
273.19562	1.1
274.18015	0.9
275.13913	0.6
275.21185	0.6
283.18054	0.2
284.16354	0.4
290.15063	0.3
291.13498	0.4
295.14365	3.7
300.17087	0.1
301.19107	1.5
302.17603	0.3
303.13794	0.2
309.16006	0.2
312.17001	1.8
319.20154	2.7
320.16461	1.6
322.18201	1.2
323.13858	1.2
327.16937	0.3
329.18536	0.3
337.19092	1.9
338.17398	2.0
339.20688	0.8
340.16513	9.6
341.15128	0.2
344.19635	3.6
346.21310	0.5
347.19629	7.4
348.15936	0.3
358.17560	5.9
365.18591	0.9
366.16907	1.5
366.20923	0.2
368.15933	0.4
372.19052	0.9
382.21301	0.3
383.19647	4.5
386.17065	4.7
390.20218	0.6
392.21594	0.3
393.17996	0.4
394.21188	0.6
408.19028	0.4
410.20734	0.2
411.19119	10.2
411.23892	1.0
418.19498	0.3
422.20956	0.3
430.21103	0.8
438.20291	0.2
439.23376	5.8
440.22351	0.3
456.21292	0.2
457.24423	0.5
458.20828	1.3
462.23877	0.2
464.25543	1.2
465.23651	0.2
475.23398	1.1
476.21991	0.6
482.26459	0.5
485.23950	2.3
486.20096	0.4
492.24951	0.4
503.22800	2.9
504.21219	1.8
507.25983	1.1
509.27557	0.5
510.25934	4.5
521.23883	5.2
527.28534	0.3
531.22687	0.2
532.20880	0.2
535.25519	0.6
537.27222	0.2
549.23389	7.9
553.26794	0.9
555.28314	0.4
557.27368	1.5
574.30243	3.7
575.28601	1.1
585.27026	7.7
586.27057	0.2
602.29651	32.9
603.28613	2.3
620.30731	3.3
630.29272	2.1
648.30225	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	648.3021
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	4.4
56.05012	1.6
56.58629	0.7
57.07074	1.3
57.89097	0.7
59.85514	0.7
64.46297	0.7
65.03941	0.8
67.04234	0.9
67.05495	7.7
68.05020	13.4
68.81770	0.8
69.05803	1.3
69.07042	0.8
70.06578	2.9
70.98001	0.8
71.57402	1.4
72.08144	18.3
79.05479	0.9
82.06561	3.3
84.08130	100.0
91.05465	17.4
93.07030	1.2
94.02914	16.6
94.06571	1.7
95.04997	0.9
96.08123	2.3
98.21038	1.0
99.01920	1.7
105.07008	1.1
105.25317	0.9
107.04952	6.8
110.06048	4.1
111.05543	1.8
112.07606	1.3
117.06989	1.5
117.19473	0.8
118.06531	1.0
119.04919	14.2
119.05700	1.1
119.08617	1.0
121.06499	5.9
123.04422	2.7
129.06943	1.5
131.04895	0.8
132.08070	2.6
133.06479	2.1
134.06009	1.7
134.09637	2.4
135.06807	2.0
136.07558	68.0
137.05919	0.8
138.12761	4.6
142.07591	0.8
143.08524	0.8
144.05679	1.0
145.06468	2.1
145.10060	0.9
146.05981	2.5
147.04407	3.0
148.07585	2.4
150.33656	0.9
153.06561	2.3
155.08125	4.1
157.06448	1.6
157.10178	2.0
157.18921	0.7
159.08018	2.3
160.07590	6.3
161.09567	2.4
162.05496	1.4
165.05472	4.0
170.07243	1.5
171.04387	1.0
172.07559	7.7
173.08238	1.0
173.09604	2.5
174.09132	6.1
174.10387	2.0
175.11172	2.9
177.10229	2.5
182.08115	3.2
184.11110	1.2
185.09619	11.0
187.11246	0.9
188.07085	1.2
189.05458	0.9
189.09088	10.1
189.11548	1.1
190.12245	9.1
200.10692	2.8
202.12247	49.5
205.09714	1.0
206.08136	1.1
209.12866	4.3
217.13452	1.0
219.14899	19.3
229.09760	3.5
231.10129	11.5
235.14415	2.7
246.12288	1.1
248.12790	56.1
257.09274	0.8
265.15427	27.0
312.16986	5.3
319.20102	3.1
322.17767	0.8
329.18402	0.9
337.18997	2.5
339.20920	1.8
340.16483	13.5
344.19675	6.2
346.21130	0.9
347.19666	6.9
358.17560	7.5
365.18509	1.8
366.17035	1.5
372.19104	1.4
383.19577	12.4
386.17032	36.2
390.20184	2.6
392.21289	1.0
410.20892	1.3
411.19110	27.7
418.19687	1.8
439.23312	8.4
457.24423	2.6
467.22812	1.7
475.22888	1.1
482.25998	1.3
485.23953	14.5
503.22659	3.2
504.21487	4.5
506.19305	1.3
507.25967	2.3
508.24426	1.0
510.26160	7.5
521.23926	6.8
535.25616	2.5
537.26019	0.9
549.23370	19.2
549.32056	1.4
553.26556	8.3
555.28003	2.0
574.30048	3.0
575.28589	1.7
585.27014	1.7
602.29663	9.4
603.28192	5.4
620.30652	12.4
630.28760	3.2
648.30347	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	646.3214
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03869	0.9
53.64457	1.2
54.03500	1.0
57.07061	6.4
58.06585	2.6
65.03944	7.5
65.13975	1.0
70.06591	24.4
71.08614	4.4
71.54895	1.0
74.05956	1.0
88.07623	31.1
93.03409	1.0
102.09180	21.2
109.61105	0.9
111.83255	0.9
116.81031	1.1
120.08136	1.3
121.02869	1.5
125.25259	1.1
139.03889	3.9
147.24754	1.0
149.02341	72.4
149.03447	6.9
156.17474	1.2
171.79259	1.0
193.04950	28.3
193.06602	1.8
200.20090	86.2
219.06474	1.4
225.05373	1.2
229.70335	1.5
313.07361	1.1
341.06674	3.2
359.07666	1.1
385.09143	6.1
403.10211	17.0
410.47168	1.1
429.11734	15.0
473.14383	23.3
473.20758	2.0
488.65997	1.1
617.47766	1.1
628.31287	1.3
646.32166	100.0
647.32391	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.2913
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.8
55.05504	2.1
56.96534	0.4
57.07067	0.8
59.04972	0.7
67.05478	1.5
69.03427	0.9
69.07072	2.4
70.06578	0.6
71.20847	0.9
81.03414	1.2
81.07041	2.3
83.04961	0.5
83.08623	3.7
85.02889	1.5
89.06007	1.1
91.05473	0.9
93.07048	1.2
94.06561	0.7
95.04950	1.6
95.08587	1.1
97.02888	0.6
97.06532	0.6
97.10166	2.0
98.10488	0.4
99.08057	0.4
105.07018	1.5
107.08572	1.2
108.04440	1.9
109.06451	0.5
109.10126	0.9
111.08060	0.4
116.01650	0.5
119.08555	1.2
120.08080	1.7
121.10098	0.6
122.06033	1.0
123.11713	0.8
125.09595	0.4
127.03934	0.6
131.08548	0.6
133.08575	0.6
133.10068	0.7
138.05499	0.8
140.07054	1.5
145.10124	0.5
146.05997	2.1
147.11655	0.6
148.07547	2.8
160.07813	0.5
166.04956	1.0
167.06995	2.9
168.06506	3.4
174.05464	1.4
181.04881	0.4
181.08630	0.4
183.10422	0.6
196.07605	0.4
196.11200	0.7
197.10831	0.7
198.07751	0.5
198.09308	0.5
199.08624	4.0
204.06615	0.6
206.08112	1.6
211.08621	5.4
211.12234	0.8
212.09253	1.9
213.10216	3.1
214.10992	0.8
221.10733	1.3
222.09126	1.0
223.08658	1.2
223.12227	0.9
224.11020	2.0
225.10178	7.1
226.07457	0.4
226.10921	1.5
227.08121	4.3
227.11710	1.9
228.12451	0.6
229.09691	0.4
235.73175	0.4
238.11038	0.6
239.08119	1.4
239.11781	9.4
240.08932	1.4
240.12437	0.9
241.09721	3.9
241.13280	2.3
242.10457	2.8
243.11247	0.5
243.14993	1.6
249.10136	1.2
250.08565	1.2
251.08064	1.3
251.11855	0.4
252.08624	1.9
253.09641	7.2
254.10532	1.4
255.11253	3.8
256.12033	0.9
257.12857	1.3
265.09726	0.7
267.08127	0.7
267.11267	16.6
268.08209	0.5
268.11862	0.9
269.09381	1.1
269.12833	2.9
271.11069	0.5
271.14471	2.0
277.09698	0.6
279.11337	0.8
281.08997	2.0
283.10648	0.9
285.12244	2.2
295.10690	8.4
295.14001	0.5
297.12280	5.2
299.10312	0.9
301.11777	0.6
313.11801	45.7
314.12506	2.1
315.13358	3.4
323.10223	3.5
324.11130	0.7
325.11993	0.8
327.13284	0.5
339.08792	0.5
341.11285	33.0
342.12082	3.1
353.11200	0.6
355.12839	2.3
356.13504	0.4
359.12350	7.2
361.29581	0.7
362.29819	1.7
373.13913	100.0
374.14352	3.5
417.15308	0.5
553.24829	0.5
569.27380	0.7
585.26416	0.7
595.25824	4.2
596.32825	0.5
613.26837	4.2
627.28107	7.7
645.29095	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.2913
Annotation	Unknow
Peak:m/z	Relative Intensity
54.36707	0.4
55.01866	0.7
55.05505	2.3
57.07054	0.8
59.04976	0.8
67.05473	1.3
69.03397	0.9
69.07050	1.9
70.06568	0.7
70.78965	0.6
70.79299	0.7
71.04962	0.7
79.05458	0.9
81.03400	0.8
81.07024	1.7
83.08613	4.0
84.08900	0.5
85.02885	0.4
89.05955	0.5
90.31248	0.4
91.05431	0.5
93.07034	0.9
94.06570	0.7
95.04935	0.9
95.08585	1.1
97.06510	0.7
97.10128	1.1
105.06992	0.7
107.08569	0.5
108.04443	3.3
109.02859	0.5
112.07601	0.6
119.08531	0.6
120.08038	1.1
122.06018	1.0
122.09636	0.4
127.03877	0.5
138.05455	1.3
140.07037	1.5
146.06013	1.8
147.06827	0.4
148.07541	2.1
150.05507	0.5
150.09056	0.4
157.10059	0.6
159.11720	0.4
166.04988	1.1
167.07043	1.1
168.06561	4.4
172.11168	0.4
174.05516	1.5
181.10242	0.4
194.09534	0.4
196.07518	0.4
197.07074	0.5
197.10681	0.9
198.07845	0.9
198.12894	0.6
199.08629	8.3
201.10193	0.7
204.06583	1.0
205.38214	0.5
206.08070	1.9
210.07744	0.6
211.08614	8.6
211.12074	0.8
212.09369	3.5
213.10191	8.1
214.10941	1.7
221.10730	1.3
222.09129	1.7
223.08606	1.5
224.09067	0.7
224.10796	1.4
225.10194	9.3
226.07318	3.4
226.10913	1.2
227.08133	10.6
227.11610	3.0
228.08676	0.6
229.13379	0.6
237.10300	0.6
238.10927	0.6
239.08087	1.0
239.11768	10.3
240.08714	2.5
240.12405	0.7
241.09697	8.5
241.13283	1.9
242.10425	7.0
243.11205	0.8
243.14912	1.3
245.16496	0.5
249.10007	0.9
250.08717	2.1
250.11034	0.5
251.08191	1.8
251.11812	1.2
252.08629	2.4
253.09712	8.7
254.10382	2.1
255.11255	5.4
256.12036	1.0
257.09201	0.6
257.12842	1.1
265.09595	0.5
267.07867	1.0
267.11267	16.5
268.08517	1.0
268.11990	2.2
269.09299	1.8
269.12817	4.0
271.10919	0.7
271.14362	1.2
273.12576	0.6
273.15823	0.8
280.08530	0.5
281.09293	1.8
283.10812	1.9
284.11444	0.6
285.08994	0.5
285.12219	1.9
286.09573	0.7
295.10730	9.2
296.11679	0.6
297.12274	4.7
298.13068	0.7
300.10760	0.5
313.11792	51.6
314.12439	3.3
315.13321	2.4
323.10291	3.7
327.13217	0.4
341.11288	41.8
342.12067	16.0
343.12628	1.3
355.12823	2.8
356.13712	1.0
359.12396	8.5
361.29498	1.0
362.29791	1.5
373.13904	100.0
374.14410	4.0
569.27496	2.4
585.26959	1.5
595.25562	3.3
613.26520	15.7
627.28003	6.7
645.28711	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.2913
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.6
55.01869	1.1
55.05507	3.1
57.03424	1.0
57.07067	1.3
59.04985	0.7
65.39362	0.5
67.05492	2.5
67.55750	0.5
69.07050	2.6
70.06570	1.2
71.04978	1.3
71.08616	0.6
71.74535	1.1
72.08125	0.6
79.05481	0.9
79.53358	0.6
81.03416	1.1
81.07067	2.8
83.08604	4.9
84.08940	1.1
85.02917	2.8
91.05486	2.7
93.07034	1.5
95.04962	1.6
95.08582	2.3
96.04490	7.0
97.02901	0.8
97.10161	1.5
105.07028	2.0
107.08553	0.8
108.04465	2.1
108.08105	0.9
109.10153	1.6
116.07128	0.6
117.06957	0.8
119.08588	1.0
120.08090	1.7
121.10069	0.8
122.06062	1.2
129.06993	0.7
131.08549	1.0
133.10136	0.7
136.77283	0.6
140.06999	1.3
143.08598	0.7
146.06010	2.1
147.06718	0.8
148.03867	0.7
148.07603	3.5
155.08549	0.5
159.11615	0.8
163.05208	0.6
166.04947	0.9
167.07068	2.5
168.06548	3.6
174.05493	1.2
184.07741	0.7
197.10818	0.7
198.09215	0.9
199.08687	5.6
205.04773	0.6
206.08078	1.1
210.07739	0.6
211.08598	7.2
211.12181	1.3
212.09431	2.3
213.10143	4.9
214.10979	1.2
221.10712	0.9
222.09167	1.7
223.08667	1.9
224.10861	1.6
224.22932	0.6
225.10213	7.9
226.07382	1.8
226.10768	1.2
227.08211	5.7
227.11678	2.9
237.10278	1.0
238.10979	0.8
239.08145	2.1
239.11760	10.3
240.08885	1.9
240.12541	1.4
241.09668	5.0
241.13318	1.5
242.10429	3.6
243.14914	1.4
249.10297	1.1
250.08560	2.1
251.08284	1.6
252.08661	2.7
253.09698	8.2
254.10437	1.6
255.11282	4.4
255.15002	0.6
256.12100	0.9
257.12823	1.1
265.09723	0.7
267.08081	0.8
267.11270	17.8
268.11877	1.5
269.09048	1.3
269.12857	2.5
271.14343	1.1
280.08417	0.8
281.09149	1.0
283.11017	0.8
285.12308	2.8
295.10745	7.4
296.11588	0.7
297.12408	4.4
299.10272	1.0
301.11774	0.9
305.09219	0.8
313.11795	48.2
314.12402	2.8
315.13464	2.8
323.10193	3.5
341.11285	34.5
342.12119	7.7
353.11548	0.8
355.12961	2.1
359.12363	6.9
362.29834	1.6
373.13919	100.0
374.14297	5.5
380.31030	1.1
429.30728	0.8
447.31186	1.8
500.19180	1.2
569.27765	1.1
585.27100	1.0
595.25354	5.2
613.26477	8.2
627.28107	9.5
645.27386	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.2909
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05489	0.7
57.07056	1.2
58.55062	0.6
60.62479	0.8
67.05498	3.0
71.08606	1.3
71.75592	1.2
73.38200	0.6
75.27193	0.7
79.05477	1.1
81.07034	2.3
81.23865	0.7
87.04478	1.2
89.06005	2.6
91.05461	0.8
93.07032	1.4
95.04990	0.6
95.08594	1.2
98.08068	0.7
105.07024	1.4
107.08551	1.1
109.10152	0.8
133.08604	2.2
133.10104	0.9
140.98680	0.7
159.11644	0.8
161.13181	0.8
173.07124	1.2
177.11169	0.8
223.12318	1.0
233.09166	1.2
235.12270	0.9
236.13217	2.1
237.13829	1.3
246.11526	0.9
249.13985	2.4
251.11771	0.9
251.15500	2.3
261.13779	5.2
277.13263	1.4
279.14874	3.1
280.15717	1.0
339.16397	0.9
340.17935	2.3
354.18539	1.8
358.19189	0.9
365.17755	2.1
367.19818	1.1
368.19785	1.1
369.20804	2.3
379.19040	1.7
383.18491	1.3
383.22885	1.0
393.20782	1.0
397.20532	1.4
411.18137	0.9
417.69424	0.7
422.18521	1.6
425.19592	6.8
426.21210	0.9
427.21887	1.1
437.19708	1.4
439.21387	3.4
440.22049	1.3
441.18829	1.2
453.23395	1.0
455.20752	0.9
456.21906	1.2
466.20007	1.3
467.20731	1.0
471.24115	1.6
481.22287	3.0
484.20374	3.5
497.21432	0.8
499.23236	11.3
511.23276	1.0
513.25073	6.0
514.25970	0.9
525.25049	9.0
526.25165	5.2
536.22070	1.3
539.26361	1.1
543.25800	0.9
553.23792	1.3
557.27722	2.5
568.24304	1.2
585.27014	6.8
586.27527	8.2
596.24109	2.0
599.29803	0.8
613.26611	5.0
627.27911	5.1
645.29132	100.0
646.29352	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	645.1647
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	16.9
57.03412	12.4
57.63981	9.0
67.56961	10.0
68.99811	11.5
69.03415	15.1
70.06573	34.0
71.50363	15.1
72.08141	14.8
76.02197	10.3
81.03403	30.2
83.42799	7.8
84.08128	14.9
85.02904	30.8
85.29963	9.2
86.09701	11.7
95.04964	26.2
97.02888	11.4
97.90635	9.5
103.03911	9.3
105.03349	9.3
107.04933	16.2
109.02892	16.7
121.02861	69.3
122.58068	8.4
133.21503	8.3
135.04427	9.8
137.02353	14.8
144.38594	8.4
147.04326	9.1
151.03899	13.6
161.05968	10.2
163.03917	14.5
165.02000	10.2
177.01794	17.1
181.04347	11.1
187.04030	9.5
189.01843	22.6
191.03371	15.5
193.12248	17.0
195.02840	15.6
203.03467	18.1
207.02911	22.2
219.02907	31.8
221.04469	16.9
225.03862	10.2
225.82631	10.5
227.43147	9.0
229.04924	21.5
233.04573	12.8
253.04901	17.8
257.04340	18.3
261.03958	10.0
265.05167	12.4
267.15939	10.8
269.04504	24.1
271.05905	13.2
273.04034	10.8
279.06641	16.4
281.04474	24.3
283.06006	37.1
284.06616	13.9
285.03958	16.0
285.16888	23.9
293.04581	10.1
294.05182	15.7
295.06064	61.4
296.06836	12.4
297.03967	15.0
297.07480	22.2
299.05521	100.0
307.06058	24.7
309.07632	31.6
310.04663	10.7
311.05414	83.7
312.06207	11.7
313.07056	39.0
321.07520	22.7
322.08240	18.0
323.05472	38.7
323.09024	9.9
324.06320	15.6
325.07004	99.3
329.06549	42.7
335.05563	15.8
336.06198	12.3
337.07062	75.5
339.04898	23.8
340.05838	12.1
341.06506	63.2
349.07025	33.7
351.08661	24.2
353.06543	66.4
355.08209	15.8
357.06009	24.0
361.07269	17.5
365.06479	39.8
367.08279	17.4
369.06058	26.5
373.88498	9.7
375.08313	12.8
377.06320	26.9
379.07950	42.3
381.05920	21.4
383.07382	22.8
387.07132	11.9
391.08051	31.4
393.05905	12.9
395.07565	33.7
403.08035	14.7
405.08362	20.6
407.07571	24.2
409.09192	21.6
411.07062	20.4
413.08612	12.7
419.07632	14.3
423.07199	15.9
425.08844	20.8
429.08276	26.3
431.09647	22.2
435.06802	14.6
437.08679	24.6
439.10287	24.2
443.09793	27.3
455.09531	16.7
456.10449	16.9
457.11581	16.1
459.09402	39.7
471.09137	18.1
473.10721	19.9
477.10226	12.7
479.09854	15.3
489.10129	29.9
490.10910	18.4
495.08957	15.4
497.10690	14.7
507.11340	84.1
513.10162	15.3
515.11029	9.9
525.12402	25.5
527.11829	11.4
549.12463	14.5
559.14258	13.2
561.12329	14.3
573.12427	11.2
591.13141	10.8
609.14685	12.2
627.19006	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	644.4936
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97786	0.6
55.05503	1.9
57.07071	96.3
58.07409	0.6
59.04997	15.2
67.05492	1.5
69.07057	2.0
70.20057	3.2
71.08624	66.8
73.06556	4.6
79.05468	0.9
81.07043	1.3
83.08614	2.0
85.06545	0.7
85.10172	58.1
87.04458	12.2
89.06023	100.0
91.05463	0.8
91.07584	1.0
93.07043	0.8
95.08595	0.7
97.10169	1.2
99.11724	8.9
103.07568	6.6
105.07055	1.0
107.07056	3.7
107.08543	0.8
113.13274	2.8
117.09114	4.4
119.08508	1.0
130.08630	3.0
131.07018	4.6
133.08594	82.4
141.16379	1.3
143.58887	0.7
155.17917	5.5
165.31454	0.7
173.11789	0.7
175.09662	3.7
177.11215	30.2
191.63968	0.6
202.54817	0.7
213.22061	4.8
219.12245	1.4
221.13792	5.0
223.15395	0.6
239.14841	1.6
257.24670	4.0
265.16473	0.9
283.17413	2.5
314.45972	0.7
327.20132	1.5
371.22833	2.9
397.24271	1.0
415.25363	11.2
455.28323	1.3
456.21655	0.6
458.23843	0.7
459.28046	0.9
627.46545	1.1
644.40710	1.2
644.50006	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	644.3121
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	0.5
55.05497	2.0
57.03430	3.3
61.02044	0.6
61.02927	5.0
67.05501	7.3
69.03419	1.3
69.07063	5.3
70.06574	0.7
70.40626	0.8
70.41010	1.2
71.04987	1.1
73.02901	1.6
79.05485	4.2
81.03408	0.9
81.07047	26.2
83.04967	2.3
83.08614	2.9
85.02899	6.1
85.06518	1.7
88.45712	0.5
91.03935	5.0
91.05471	6.5
93.07050	3.7
95.04967	1.4
95.08594	4.5
95.55375	0.5
97.02902	2.5
97.06524	2.7
99.04452	1.0
99.08058	1.1
101.06007	0.8
105.07021	10.5
107.08589	4.6
109.06494	2.1
111.08067	0.6
113.05973	0.9
115.03956	0.6
119.08572	9.7
121.10116	8.4
123.08041	2.2
123.11691	11.7
126.58669	0.5
126.61406	0.5
127.03873	1.5
127.07572	1.4
128.67264	0.6
131.08511	0.5
133.10118	1.0
137.05998	0.5
137.13210	1.1
141.09094	0.8
145.04948	1.9
145.10092	0.8
147.11674	32.5
148.12036	0.5
157.10176	1.3
163.06038	2.5
165.12738	15.0
167.06993	1.1
175.11206	1.5
181.04871	1.1
183.13774	1.6
191.07040	0.5
193.12262	1.5
229.14322	4.1
267.15897	25.1
268.16281	0.7
285.16940	100.0
286.17245	2.0
354.70609	0.5
360.30673	0.5
411.20285	0.8
429.21014	1.0
447.22165	5.8
644.23553	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	644.4938
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99028	0.6
53.00294	1.1
53.15260	0.6
55.05508	2.7
57.03424	0.9
57.07071	99.8
59.04998	32.0
59.05303	1.3
63.61118	0.6
67.05506	2.4
69.07051	3.8
71.08626	100.0
72.08969	1.5
73.06534	1.6
79.05461	0.7
81.07051	2.3
83.08614	2.7
85.10174	96.8
86.10538	1.4
87.04460	8.4
87.08105	1.3
89.06023	76.9
93.07042	1.8
95.08592	1.1
97.10177	2.3
99.11734	10.0
101.09658	3.3
103.07570	1.1
105.07034	1.2
107.07050	2.1
117.09122	5.2
118.43923	0.7
119.08530	1.0
121.10149	0.7
124.78529	0.7
130.08626	2.9
131.06979	3.3
133.08592	55.0
141.16374	11.0
147.10094	1.0
156.98134	0.8
175.09644	2.7
177.11205	20.4
181.19385	1.1
199.18719	1.3
199.20555	23.2
200.20837	1.0
219.12126	1.1
221.13800	3.4
239.14810	1.0
240.23238	1.7
243.93999	0.7
257.24707	8.5
283.17480	3.1
327.19980	1.5
349.52838	0.7
353.21219	1.2
371.18509	1.0
371.22745	14.0
429.26654	2.1
459.27792	0.9
627.45715	0.9
644.49188	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	644.3117
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03918	1.7
55.01851	1.4
55.05507	5.0
56.05003	0.9
57.03433	5.4
60.08146	1.7
61.02927	3.9
65.03914	1.0
67.05498	6.2
69.03419	7.4
69.07022	2.8
70.06548	2.9
71.04961	1.8
71.73196	1.0
72.08120	1.5
73.02891	2.4
79.05491	9.9
81.03413	29.3
81.07050	14.9
81.53706	0.7
83.04980	6.7
83.06085	0.8
83.08185	0.8
83.08612	10.6
84.04502	5.9
84.08103	1.5
85.02898	17.1
86.09708	6.5
86.99054	0.9
87.02686	5.3
91.03921	3.1
91.05472	8.0
93.07023	4.2
95.04430	0.8
95.04964	10.9
95.08618	3.7
97.02893	4.2
97.06487	1.5
97.10184	1.6
99.08043	2.0
101.07127	0.7
103.05421	1.0
104.10739	8.2
105.00035	1.0
105.07026	7.5
106.06561	1.3
107.04945	3.7
107.08567	2.9
109.06495	1.5
111.04438	0.9
111.08080	3.6
112.98281	0.7
113.05992	1.0
115.05427	0.6
116.04935	2.9
119.04925	1.0
119.08573	7.5
121.06503	0.8
121.10080	2.4
122.02668	1.2
123.08070	4.7
124.99973	2.6
125.09592	1.5
127.03864	1.9
127.10902	0.7
129.06999	4.1
130.04965	2.2
131.04834	1.1
131.08549	3.9
133.02875	0.7
133.06454	1.4
133.07532	1.1
133.10114	4.0
134.05960	3.0
136.07536	1.1
137.05937	2.3
137.09636	0.8
142.03195	4.5
144.08072	0.8
145.04922	2.4
147.07968	1.2
147.11658	5.4
149.09550	1.9
151.07491	1.2
151.08621	0.8
157.10092	4.7
163.06047	0.9
165.12799	1.9
167.07034	0.9
171.09142	1.4
175.11169	5.7
184.07341	10.8
188.03694	3.6
193.12231	22.8
199.08655	2.6
202.08896	1.7
203.07268	3.3
211.13306	15.5
211.35959	0.6
225.79442	0.6
227.08308	1.0
245.09218	3.1
263.10251	4.2
267.15918	6.3
281.11298	2.4
285.16940	100.0
286.11017	1.8
286.17252	1.2
303.18024	4.2
425.15451	1.2
429.20508	0.7
447.22147	1.1
482.19501	8.6
603.17175	0.8
608.23218	0.7
644.24878	24.1
645.25342	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	643.4048
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05481	0.4
55.55514	0.4
58.99832	1.0
59.22783	0.3
67.05461	1.4
69.07047	0.6
71.72950	0.6
77.00897	6.9
79.05450	0.8
81.07043	2.4
83.08566	0.7
91.05431	1.0
93.07010	0.9
95.01936	4.8
95.08572	0.6
97.06469	0.4
100.02467	0.4
105.06999	1.2
107.04905	0.5
107.08583	0.7
109.06464	1.5
109.10108	0.4
117.07015	0.4
118.01126	0.4
118.03385	0.4
119.08553	0.7
131.01894	2.2
131.08502	0.4
132.02698	0.7
145.03445	0.5
149.02916	1.2
153.03970	0.4
155.05539	0.5
157.03397	0.6
161.13193	0.4
167.05499	1.2
169.03453	0.5
171.05049	0.9
173.06552	0.8
183.05089	0.6
185.06572	17.2
186.06868	0.5
187.08136	0.9
190.17206	0.3
196.05809	0.4
201.09705	1.3
203.07643	5.2
205.09169	0.4
207.12320	1.1
208.08191	1.1
209.10185	1.1
213.09769	0.6
215.11244	1.6
217.10866	0.4
219.10648	0.5
221.06569	0.5
221.10330	0.5
223.11772	1.3
225.06047	0.5
225.09698	1.0
225.13329	7.1
227.11234	2.5
233.12366	0.7
235.07983	0.5
235.11829	0.5
237.13383	0.5
239.07649	0.5
239.11322	1.9
241.12871	3.3
243.14403	48.1
244.11681	0.5
244.14619	1.5
245.12393	0.7
246.11137	0.4
248.14922	1.4
251.11264	0.4
253.12762	1.1
255.14456	0.5
257.12326	2.3
259.13956	0.4
261.15466	12.4
263.11261	3.8
264.12091	2.1
266.16028	4.1
271.13763	0.4
281.09244	0.5
281.12311	8.3
282.13174	2.8
283.13785	0.7
284.17099	0.8
291.14487	0.7
291.17856	0.8
300.14197	1.1
304.14001	0.6
309.15485	1.2
309.18976	0.6
315.18015	2.4
333.19043	19.5
334.19193	0.5
351.20126	100.0
352.20346	3.9
356.20605	1.1
367.25009	0.5
369.21323	0.7
374.21741	18.8
375.22052	0.8
460.61728	0.4
609.14258	0.4
625.39801	1.3
643.40454	19.7
644.40680	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.3481
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	2.5
56.05032	2.3
56.07940	1.0
67.05502	2.3
69.72133	7.1
70.02943	1.6
70.06586	23.5
72.08149	100.0
76.02224	1.8
76.03993	3.9
79.05465	1.7
80.04990	5.1
81.03413	2.5
81.07042	2.5
82.06572	5.7
83.06127	1.1
83.08610	1.3
84.04501	6.8
84.04923	1.0
84.08137	75.3
85.02881	1.8
85.04020	2.9
86.09696	5.3
91.05491	1.8
92.01704	2.3
93.07031	2.5
94.06564	10.5
95.04955	2.5
95.08620	2.1
96.08129	1.1
96.47517	1.3
97.08850	1.3
98.09682	2.6
99.05561	2.3
104.10759	2.1
106.06556	4.2
108.08116	5.5
109.07631	1.4
110.07169	1.2
110.09673	20.2
110.73771	1.1
111.02697	1.3
112.02168	5.7
112.11246	8.2
114.03745	2.0
116.01683	1.4
116.07068	1.3
118.06531	2.2
119.05011	1.1
119.07312	1.4
120.08097	14.6
121.08890	1.7
122.08420	2.7
122.09643	1.8
123.09169	1.3
124.99967	1.6
126.03703	5.8
130.05008	3.4
131.04558	1.8
135.09163	45.8
135.10231	2.2
136.11188	2.3
137.10738	4.2
139.03284	2.6
140.05244	2.5
142.06866	4.3
145.06125	3.4
147.07932	1.1
148.11244	1.2
150.09056	1.2
152.05270	7.8
155.08159	2.6
159.02255	2.5
160.11296	1.2
163.12276	1.2
166.03299	1.6
177.03279	5.4
179.04913	2.3
181.06165	1.8
184.07314	8.0
185.03773	21.3
193.12267	4.5
204.13931	1.3
205.17102	1.9
206.16579	7.4
213.03169	1.2
222.14743	5.8
224.16458	11.6
230.15402	3.1
231.04320	40.7
232.16971	2.3
238.12643	1.8
242.05908	2.3
248.16455	17.2
250.18045	6.2
254.12100	4.4
256.13660	11.3
262.12662	1.6
264.14133	2.4
264.18317	36.0
265.19098	15.9
267.20663	5.1
280.13635	8.2
282.15295	5.8
285.17078	2.6
285.21542	1.1
288.06470	23.3
297.16306	21.5
299.17892	2.1
302.21146	1.9
317.22159	5.8
319.23709	13.0
321.25305	5.1
323.17831	1.7
335.25601	3.1
336.26413	10.2
338.28137	4.3
350.12152	1.4
351.17215	1.9
351.20984	13.5
353.22583	2.5
368.23975	2.0
369.14780	5.4
370.25220	5.8
400.19113	4.0
443.23160	18.9
463.17001	2.0
497.27960	60.5
514.30579	73.1
529.23621	1.4
551.29163	1.1
554.26477	3.7
572.27380	6.5
608.31152	4.3
625.33740	10.4
626.32129	5.8
643.34802	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	643.2515
Annotation	Unknow
Peak:m/z	Relative Intensity
54.01479	0.7
55.05506	1.1
57.07067	7.5
58.84112	0.7
59.04992	2.9
64.28599	0.9
67.05500	2.0
68.30609	0.9
69.58518	1.3
69.58920	7.0
71.08620	5.4
73.02914	4.4
81.07037	1.5
85.10185	4.1
87.86745	0.8
89.06043	1.0
91.05456	1.6
93.07040	2.1
95.08583	1.1
99.11700	0.9
105.06989	1.0
114.60358	0.8
134.56210	0.8
136.41437	0.9
139.62737	0.8
213.22169	1.0
245.94286	0.8
436.16776	0.8
541.06470	1.0
588.86084	0.8
640.90967	1.0
643.25183	100.0
643.39423	7.2
644.25305	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	643.2518
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	0.6
57.07051	0.9
64.37143	0.4
66.23723	0.4
67.05511	1.3
67.50165	0.5
69.07036	0.8
69.32333	0.4
71.08614	1.3
71.19614	1.2
71.19997	0.8
73.02911	0.5
79.05489	0.6
81.07050	1.0
91.05492	0.5
93.07046	0.6
95.08586	1.0
121.10126	0.8
133.10068	0.6
147.23897	0.5
179.14368	0.8
206.48064	0.6
229.99634	0.5
238.75960	0.5
260.64786	0.6
275.20175	0.7
410.41776	0.5
491.81906	0.5
643.25208	100.0
643.39471	9.5
644.25647	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	643.312
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03703	1.2
55.05502	1.4
67.05501	1.9
69.07098	2.0
69.45240	6.8
69.45669	8.6
70.65252	1.4
79.05492	2.2
81.07054	2.0
85.10158	1.6
91.05463	2.2
93.07030	1.8
133.08644	2.1
154.15233	1.6
172.04950	1.2
179.14229	1.6
282.96701	1.7
366.19049	2.0
370.77722	1.5
377.17584	3.2
379.19171	2.5
391.19174	4.5
392.19937	2.3
395.18225	2.1
405.20392	2.0
407.22360	3.2
409.20432	7.7
421.23712	4.9
423.21640	5.3
424.22696	2.0
437.23303	1.9
465.22733	8.0
479.24219	3.6
480.25485	1.9
495.27414	2.4
497.25305	2.1
511.27048	11.4
525.28375	1.9
537.24969	3.0
539.26306	1.8
567.29565	24.6
569.27222	2.7
583.29083	6.7
584.29858	3.4
599.32214	100.0
600.32703	3.9
643.31110	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	643.2398
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01896	0.7
55.05559	1.3
67.05503	3.1
69.07120	1.5
71.08662	0.6
79.05151	0.6
79.05556	2.1
81.07057	3.8
83.05032	0.6
83.08686	1.1
91.05473	2.3
93.07034	2.7
95.05019	0.8
95.08692	1.9
97.06584	0.8
97.10217	0.5
105.07088	1.1
107.08691	1.4
109.10196	0.9
117.07093	0.4
119.08652	1.1
121.10210	0.7
131.08618	1.1
131.61844	0.5
133.10243	0.6
135.11760	0.7
145.10190	0.7
147.08186	0.7
147.11792	0.5
149.09698	1.0
159.11726	0.8
163.11288	0.6
173.13254	0.5
181.68318	0.5
226.98181	0.5
239.23230	0.5
275.20203	0.8
277.21716	1.4
291.19482	0.6
302.43784	0.6
335.25787	0.6
351.25696	0.6
376.76801	0.5
396.12479	1.0
397.13077	1.2
398.13763	0.6
410.13678	2.6
411.14523	4.8
412.15146	3.2
413.16437	0.8
423.14807	0.9
424.10892	0.8
424.15561	1.9
425.16309	7.8
426.16757	5.5
427.17841	0.6
428.18826	1.0
438.13135	2.2
439.13315	7.0
440.18848	2.5
441.19266	23.2
442.19614	1.8
452.14270	2.3
453.15155	8.6
454.16138	2.6
457.15405	0.7
467.17178	18.4
468.17853	8.8
469.18784	10.4
470.12054	0.5
470.19009	1.1
480.17307	0.6
481.14825	9.5
482.15436	3.9
495.15860	2.7
496.17242	9.4
497.17743	2.4
499.15988	0.7
508.20621	0.5
509.18137	1.5
512.20789	0.9
514.21832	1.3
522.17944	0.7
523.18988	0.9
527.22827	1.6
537.19025	0.6
545.38440	2.1
555.22406	19.2
555.30994	1.0
556.22491	1.6
583.21869	100.0
584.22034	8.8
587.25006	1.7
611.21588	0.8
615.24414	6.4
625.28345	0.9
625.44501	0.9
643.23901	19.9
643.41840	1.9
644.23688	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
55.47923	0.3
58.24725	0.3
67.27156	0.3
68.74794	0.3
69.47850	3.0
81.07030	0.5
97.81893	0.3
124.56689	0.3
149.64520	0.3
170.40936	0.3
202.07768	0.3
327.49881	0.4
395.11182	0.4
396.12262	1.3
397.12912	2.3
398.13571	0.9
409.13333	0.7
410.13629	3.2
411.14493	6.5
412.15271	4.0
413.16196	3.1
416.15308	0.3
423.15112	1.5
424.11227	1.3
424.16254	2.9
425.16263	13.2
426.16928	9.5
427.17365	2.5
428.18494	2.4
437.16165	1.2
438.12094	3.0
438.17538	1.3
439.13614	17.2
440.13760	1.3
440.19226	5.5
441.19250	39.9
442.19644	2.4
444.18591	0.4
449.13892	0.3
451.13089	0.4
451.18436	0.6
452.14145	3.8
453.15225	18.8
454.15881	5.2
455.21353	0.5
457.15067	0.9
463.03827	0.3
463.14014	0.9
465.15347	0.8
466.16663	0.7
467.17117	29.1
468.17838	18.0
469.18768	13.7
470.12158	0.4
470.19058	0.9
471.16412	1.3
472.17444	0.5
478.16214	0.6
480.17349	1.2
481.14545	13.4
482.15118	3.7
485.18222	1.2
486.19290	0.5
493.15396	0.4
494.16388	0.4
495.15915	2.7
496.17136	12.8
497.17877	2.7
498.19016	0.8
499.19742	1.3
508.19189	0.6
509.18295	2.3
510.20020	0.3
511.16574	0.4
512.20428	1.2
513.20831	0.9
514.22400	3.0
522.17847	0.7
523.19812	1.8
524.20679	0.4
527.23499	3.2
528.24121	0.4
537.19464	0.6
540.19885	0.8
542.21436	1.0
545.24030	0.5
551.18866	0.5
555.22351	37.0
556.22595	2.1
583.21851	100.0
584.22137	6.1
586.20105	0.4
587.25183	2.5
611.21436	1.9
614.23669	1.1
615.24438	13.9
616.24921	0.8
643.23901	63.8
644.24103	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	642.5147
Annotation	Unknow
Peak:m/z	Relative Intensity
53.57154	2.3
55.05492	2.7
56.45922	2.3
57.07072	100.0
59.04998	35.1
59.25583	2.5
63.97607	2.4
67.05512	2.7
69.07063	3.6
69.54878	17.2
69.55303	6.6
71.08253	4.4
71.08628	75.9
73.70957	2.4
76.75346	2.5
81.06992	3.1
83.08607	3.6
85.10178	64.5
89.06020	16.6
93.02811	2.4
93.07027	3.2
99.11728	11.5
101.09647	4.5
103.07531	3.2
112.75352	2.3
113.13226	3.9
117.09141	16.6
133.08597	21.7
135.41344	2.5
140.93169	2.4
141.81703	2.9
155.17917	12.0
177.11270	5.3
197.90804	2.4
213.22125	18.0
239.14845	6.4
271.26300	22.2
297.19040	4.6
329.30850	2.5
343.18524	2.6
568.31714	2.5
575.17450	2.9
643.27496	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	642.3839
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.9
55.01872	2.1
55.05499	5.3
57.03437	1.6
61.02916	2.1
65.03915	1.0
67.05188	1.3
67.05498	15.2
68.89785	1.0
69.03403	1.2
69.07066	5.6
73.02887	1.4
79.05482	13.0
81.03401	1.1
81.07060	17.0
83.08601	2.5
85.02895	1.2
85.06515	1.7
85.33015	1.0
91.05473	16.0
92.52680	1.2
93.07032	14.0
95.04939	2.0
95.08604	10.7
97.02890	1.3
97.06489	1.9
97.10149	2.0
98.20557	1.6
99.08092	1.4
100.77122	1.1
105.07030	17.2
107.04961	2.2
107.08588	9.2
109.06497	2.1
109.10140	5.1
115.11114	1.2
117.06999	8.8
119.08559	9.1
121.06514	1.5
121.10119	4.0
123.08072	1.4
123.11656	1.3
125.09617	1.0
129.07008	5.1
131.08545	14.3
133.06471	1.6
133.10104	7.2
135.11676	2.7
141.07007	1.8
143.08592	5.2
145.10121	7.5
147.02905	1.0
147.08058	1.9
147.11679	2.8
149.09628	1.4
149.13275	2.0
155.08566	2.8
155.14355	1.8
157.10112	3.4
159.11650	4.4
161.13196	1.6
169.10091	2.8
169.15865	3.0
171.11662	2.8
173.13206	1.9
183.11650	2.4
185.13232	2.4
195.11690	2.0
197.13171	2.3
199.14845	1.2
199.86580	1.1
211.14766	1.3
223.14818	1.2
230.39499	1.7
237.22369	1.0
247.16739	1.4
275.19907	1.9
276.20200	1.6
276.39850	1.2
330.13870	3.0
348.14868	1.8
353.24640	4.2
371.25702	5.5
389.26804	5.8
445.29492	100.0
446.29666	2.9
463.24097	1.5
463.30515	19.9
539.74023	1.2
642.29486	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	642.2966
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.0
55.01868	4.7
55.05493	2.2
57.03416	2.0
61.02923	2.9
67.05498	6.3
68.23653	0.6
69.03409	1.8
69.07072	2.8
69.85699	1.7
69.86111	1.2
70.06576	1.7
71.01348	1.0
71.04963	1.0
73.02896	1.1
79.05492	5.9
81.03412	15.9
81.07051	8.8
83.01332	0.6
83.04951	1.6
83.08607	1.7
85.02907	2.5
85.06522	1.2
85.49319	0.5
91.05474	6.7
93.07043	8.4
95.01320	3.6
95.04965	6.3
95.08605	5.7
97.02875	2.1
97.06525	1.3
103.05496	0.8
105.07012	5.4
107.04955	4.7
107.08598	4.2
109.02879	1.8
109.06483	3.0
109.10146	1.5
111.00835	0.6
111.08083	1.3
115.05399	0.5
117.07024	3.7
119.04946	0.9
119.08587	5.7
120.08018	0.8
121.02837	3.2
121.06506	6.7
121.10126	3.1
123.04413	1.8
123.08043	2.4
123.11716	0.6
125.02349	2.1
129.07002	3.4
131.04933	1.7
131.08566	4.9
133.06485	3.1
133.10132	3.5
135.04390	2.0
135.08067	3.0
135.11665	2.0
137.05975	2.2
137.09604	0.9
139.03938	1.0
141.06961	0.9
143.08563	2.4
145.06464	2.4
145.10094	2.7
147.04413	6.3
147.08040	2.3
147.11641	2.7
149.05968	1.7
149.09631	1.9
149.13261	3.0
151.03932	0.8
151.11069	0.6
152.86151	0.6
155.08554	1.3
157.06470	0.7
157.10146	1.4
159.04408	0.6
159.08054	1.1
159.11716	4.1
161.06010	1.7
161.09561	1.8
161.13162	2.6
163.03883	3.8
163.07523	1.2
163.11176	1.1
165.05525	1.0
167.07176	0.9
171.11688	4.8
173.05974	1.9
173.13295	1.4
175.11131	0.9
177.05515	0.7
177.12733	4.5
179.14299	1.1
181.04993	0.6
185.04277	0.5
187.07600	1.0
187.11183	1.7
189.12733	2.8
191.06905	0.7
191.14316	0.9
195.13803	0.9
195.20343	0.6
197.13177	1.2
199.11185	1.0
201.12753	1.4
205.12189	1.4
207.11858	1.4
207.13780	14.0
215.14374	1.4
219.13843	1.2
225.12711	1.0
225.14857	0.9
229.12128	0.9
233.15367	2.0
234.15495	0.7
235.13295	1.3
243.13808	3.4
245.15356	1.0
247.13371	0.8
253.12144	1.0
257.11749	0.6
261.14816	13.0
263.16351	0.6
269.17471	1.5
271.13336	1.7
273.14697	1.0
277.14374	1.2
279.15836	1.2
285.12878	0.6
289.14334	18.4
291.15906	1.8
299.12933	0.9
307.15381	12.6
317.13879	1.2
325.16409	7.6
335.11288	1.0
335.14917	7.7
353.15903	8.5
371.17026	3.0
378.28348	0.6
381.19144	1.2
399.20120	3.4
409.18655	0.9
427.19623	100.0
428.19946	1.4
440.29129	0.5
445.20657	21.9
581.89160	0.6
613.53882	0.7
642.36578	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	642.2963
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84233	0.8
55.01866	4.7
55.05510	1.7
57.03418	2.5
61.02910	3.1
61.50793	0.9
67.05500	8.6
68.05030	1.1
69.03405	2.8
69.07052	3.3
70.06570	3.7
70.83272	2.6
71.04974	1.1
72.08124	1.1
73.02887	1.0
79.05474	6.7
81.03409	15.4
81.07053	8.6
83.04961	2.5
83.08619	2.0
84.08148	1.0
85.02888	3.4
91.03939	1.4
91.05466	8.2
93.07037	10.2
95.01304	2.7
95.04955	5.5
95.08594	4.9
97.02859	2.2
97.06528	1.8
101.02341	1.3
103.05454	1.6
105.07024	6.9
107.04962	5.6
107.08582	6.6
109.02863	1.4
109.06503	2.5
109.10149	2.4
111.08045	2.2
114.05535	1.8
117.07008	3.5
119.04942	1.7
119.08579	6.4
121.02829	2.9
121.06490	7.2
121.10141	3.2
123.04408	2.0
123.08054	1.8
125.02320	1.0
125.06020	0.8
127.03892	1.3
129.06993	3.1
131.08569	4.5
133.06465	3.1
133.10133	4.1
135.04387	2.5
135.08046	2.8
135.11641	1.9
137.05951	2.1
137.09590	1.8
141.06972	1.3
143.08522	1.8
145.06470	2.7
145.10075	3.3
147.04390	5.3
147.08060	2.6
147.11624	2.2
149.05943	1.7
149.09641	2.1
149.13235	3.4
151.03922	1.4
151.11205	1.2
155.08598	1.5
159.07968	1.3
159.11711	5.0
161.05948	1.2
161.09648	1.0
161.13266	2.9
163.03845	3.9
163.07520	1.7
167.07045	2.5
169.10019	1.3
171.11626	4.8
173.05925	2.0
177.12721	3.9
187.11201	2.4
189.12682	3.0
191.14430	1.2
195.13937	1.0
197.13190	1.9
199.11145	2.0
205.12296	1.1
207.13780	12.2
217.12231	1.3
219.13747	1.3
220.13313	1.7
225.12645	1.0
233.15381	2.0
234.14899	1.3
243.13705	1.4
261.14789	8.8
269.17352	2.0
271.13147	1.4
273.14676	1.0
277.14206	1.0
279.16040	1.3
289.14285	15.7
307.15369	11.6
317.13748	2.8
325.16507	7.0
335.14880	9.2
353.15927	8.6
371.16885	2.8
399.20053	3.4
409.18805	1.2
427.19623	100.0
428.19809	2.1
437.67700	1.0
445.20685	20.4
446.21240	1.0
480.29440	3.5
535.11700	1.0
544.77838	1.0
553.23138	0.9
620.44666	0.9
642.34784	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	642.2383
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02364	0.7
55.01870	1.4
55.07792	0.6
61.38701	0.5
65.03926	1.4
69.03419	0.8
69.67570	1.9
69.67991	2.5
70.06586	3.6
72.89056	0.6
73.02875	0.7
77.03906	1.4
79.05473	2.7
81.03413	2.2
82.87509	0.6
84.04510	0.8
84.08149	0.8
85.02901	3.7
86.09702	1.0
87.00813	1.4
88.26859	0.6
91.03941	0.6
91.05468	19.7
94.04173	1.0
95.04952	1.5
97.02872	1.6
103.05451	21.6
105.03369	2.3
105.07018	24.0
107.04909	1.0
109.02879	0.7
115.05429	4.6
118.04165	0.6
119.04928	28.8
121.06485	1.1
122.03633	2.2
122.07146	0.6
127.03893	2.3
129.06947	0.7
131.04915	45.2
133.02835	89.8
133.06471	25.8
133.07486	1.0
134.03139	1.3
137.05963	33.0
143.06027	2.1
145.04903	0.6
146.07266	1.2
147.04379	5.4
147.07938	1.0
149.05986	3.5
150.06711	0.8
151.06323	1.2
151.07526	18.7
159.08022	2.0
161.05960	100.0
162.06454	1.1
163.06177	1.2
163.07520	15.1
165.05461	38.9
166.05766	1.2
172.05154	1.7
175.07533	5.6
177.05414	3.3
179.07010	24.2
187.07520	12.4
191.08546	1.5
199.07422	1.0
217.08577	1.5
219.08026	2.2
231.08080	0.6
247.07599	1.2
251.10732	3.7
259.07388	0.6
261.09180	0.9
276.05261	0.6
276.13647	0.6
279.10117	2.6
291.10190	1.3
293.11673	1.4
294.76828	0.7
311.12732	23.0
323.12814	1.5
341.13855	1.2
479.52829	0.6
624.12634	1.5
636.18311	0.6
642.13776	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	642.2384
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	1.0
53.03945	1.0
55.01867	2.6
58.63517	0.5
65.03938	1.1
69.03419	2.1
70.06587	4.1
71.04956	0.7
71.05295	1.4
72.08144	2.2
77.03934	1.2
79.05488	3.4
81.03416	2.8
84.04464	1.0
84.08140	1.3
85.02895	4.8
86.09695	1.8
87.00826	2.3
91.05472	18.5
94.04197	1.2
95.04971	1.7
97.02882	2.0
99.04449	0.8
103.05457	17.0
105.01871	1.6
105.03387	3.6
105.07023	25.7
107.04942	1.5
107.92237	0.6
109.02864	2.0
109.06477	0.9
112.96117	0.8
115.05428	5.0
118.04173	0.9
119.04932	29.8
121.06516	1.0
122.03638	3.3
123.08186	0.7
127.03918	2.7
129.06992	1.0
129.10220	0.9
131.04919	39.1
133.02840	89.9
133.06471	25.2
133.07507	0.9
134.03172	1.3
136.05246	0.7
137.05966	37.4
143.06018	1.4
144.05710	0.6
145.04930	0.9
146.07312	1.0
147.04372	6.2
147.08035	1.7
149.06006	3.2
150.06760	0.7
151.07532	19.1
151.08727	1.1
157.06473	0.7
158.52274	0.5
159.02826	0.7
159.08034	2.3
161.05963	100.0
161.63741	0.5
162.06500	1.9
163.07538	18.8
165.05461	37.2
172.05145	1.7
175.07503	5.7
177.05478	2.3
179.07010	22.4
180.07361	0.6
187.07536	14.5
189.09059	1.1
190.07874	0.7
191.08542	1.1
193.08600	0.9
199.07538	1.1
217.08554	1.6
219.08008	2.3
219.10008	0.7
231.04933	0.9
231.07939	0.7
247.07469	1.4
251.10579	3.7
261.09070	0.7
262.09824	0.8
279.10101	2.3
280.10736	0.7
291.10110	1.9
293.11621	1.6
309.11151	2.7
311.12735	23.5
312.12878	0.7
341.13831	2.0
405.62457	0.6
522.75305	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	642.2388
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02388	1.2
53.03947	4.1
54.44617	1.1
55.01863	6.9
57.03429	5.1
60.04529	1.1
61.02926	5.1
65.03929	2.5
66.91187	1.0
68.99789	3.9
69.03425	24.9
69.42603	12.1
70.06581	11.9
71.05003	4.5
72.08164	2.5
73.02924	4.8
75.37442	1.1
77.03916	2.4
79.05513	5.6
80.81583	1.1
81.03412	18.8
81.07047	1.9
83.01324	1.2
84.04527	2.5
84.08120	6.6
85.02895	53.5
86.09716	4.9
87.00819	14.6
87.04483	1.8
91.05477	30.8
93.07068	1.6
94.04202	2.3
95.04977	3.6
97.02890	16.9
99.04442	7.5
102.05560	1.2
103.03945	8.8
103.05463	36.3
105.01863	14.3
105.03375	5.8
105.07019	34.8
105.07711	2.0
107.04955	4.9
108.05766	1.3
109.02873	23.3
109.06481	5.4
110.07191	2.7
115.05438	9.6
117.01878	1.5
118.04181	2.3
119.04935	41.8
119.08598	1.2
121.06535	3.7
122.03662	4.0
123.04462	1.3
123.08064	3.5
127.03900	34.3
128.06256	2.0
129.01860	4.5
129.07005	1.5
129.10214	2.2
131.04919	78.2
133.02844	60.1
133.03868	2.2
133.06480	32.9
137.05965	62.3
143.06030	1.9
144.05740	1.3
145.04948	14.0
145.06552	2.2
146.08852	1.1
147.02928	4.8
147.04430	14.6
147.08041	2.0
149.05980	7.5
151.03917	2.4
151.07545	22.2
152.05653	1.7
159.02905	12.6
159.04413	4.0
159.08083	4.7
160.05225	2.2
161.05966	100.0
162.06693	6.4
163.07530	40.7
163.08882	2.0
163.96368	1.2
165.05455	20.4
169.06512	2.9
171.02956	2.0
171.04387	1.3
172.05150	2.1
173.05905	1.5
175.07542	15.3
177.05510	4.2
177.09134	1.6
179.07016	17.1
179.08447	1.7
187.07538	15.8
188.04691	2.1
189.03989	9.6
189.05392	2.8
189.09213	1.2
191.07010	37.3
191.08386	2.3
193.08559	1.6
197.06004	2.4
199.07478	2.0
201.09099	1.7
203.06953	10.5
205.08649	4.8
211.07465	1.4
213.03949	2.7
215.07069	2.8
217.08618	3.0
219.08043	3.2
229.08586	9.0
231.04945	6.2
231.08148	2.1
233.07996	9.9
235.07570	1.4
245.08102	1.9
247.07491	1.8
247.09708	1.7
248.08276	1.6
251.10693	3.6
257.08148	5.8
259.07504	1.9
263.10712	1.3
275.09192	4.6
279.10199	3.7
291.10205	3.1
293.11700	1.4
309.11151	7.7
310.11856	1.2
311.12735	13.1
323.12878	2.7
335.12796	2.0
341.13882	5.4
353.13858	1.5
379.10278	5.6
431.65231	1.2
559.18121	1.8
642.38422	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.3527
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03213	1.8
53.03933	7.1
55.01864	6.0
55.05510	33.8
57.03428	5.9
59.09022	1.7
61.02925	19.9
64.59026	1.9
65.03923	2.5
65.71725	1.8
67.05498	45.0
69.03436	9.6
69.07057	20.8
69.07652	1.7
70.06575	3.7
70.16095	2.0
70.69385	2.5
71.04985	4.2
71.74385	3.5
72.08141	2.8
72.53445	2.0
73.02901	4.2
73.77900	2.1
75.05273	1.7
77.17731	1.8
79.05486	38.8
81.03420	10.7
81.07047	49.2
83.04990	3.9
83.08619	20.5
85.02894	17.7
85.06537	5.0
86.09713	3.0
91.03940	8.1
91.05478	54.8
92.74970	1.9
93.07038	39.8
95.04971	11.2
95.08612	33.4
97.02890	11.4
97.06503	10.4
97.10162	13.1
99.04427	2.7
103.03944	2.8
105.07029	49.3
107.04942	5.0
107.08583	23.3
109.02866	4.9
109.06524	6.7
109.10142	12.6
109.25198	2.0
111.04403	2.2
111.08082	6.5
115.05457	6.7
117.06997	29.2
119.08576	26.0
120.08165	2.2
121.06487	8.3
121.10153	10.9
123.08047	6.4
125.09605	12.3
127.03932	5.8
127.07656	2.8
128.06171	9.7
129.07001	42.0
130.07784	2.8
131.04964	2.6
131.08559	56.7
133.06493	7.2
133.10132	22.0
135.08043	6.4
135.11713	6.7
136.06184	5.5
137.05928	5.9
137.09602	3.6
139.11232	2.1
141.06970	17.2
142.07803	4.8
143.08562	33.5
145.06493	7.4
145.10114	22.9
147.08023	8.3
147.11668	9.5
149.09621	8.1
149.13269	2.1
151.11194	4.5
155.08542	31.3
157.06531	2.9
157.10106	19.7
159.08032	5.1
159.11656	15.9
161.09659	4.6
161.13191	2.1
163.11215	6.2
165.06987	4.4
165.09117	5.2
167.07263	3.8
167.08543	16.3
168.09250	3.2
169.10104	17.5
171.08058	4.0
171.11696	11.9
173.09587	4.7
173.13232	5.5
175.11214	5.6
177.12729	7.6
179.07115	2.2
179.08582	7.4
181.04948	4.8
181.10107	14.0
181.68285	1.8
183.11655	10.2
185.13257	7.0
187.11165	4.3
189.11264	4.2
189.12781	3.1
193.10181	6.1
195.11679	12.7
197.09532	3.4
197.13292	8.2
199.11176	4.1
199.14842	4.8
201.12846	2.8
203.14383	2.5
207.11674	6.5
209.13281	8.1
211.11122	2.2
211.14830	8.6
213.12737	4.7
217.15828	3.7
221.13341	9.7
223.14836	10.9
225.12756	2.9
227.12643	2.7
227.14531	2.2
231.14029	2.9
233.13264	3.5
233.15372	3.8
235.14888	4.9
239.14351	8.2
241.16100	2.9
243.13823	2.7
253.15814	7.2
257.15402	7.8
259.17053	4.5
265.15881	2.9
269.12805	3.0
271.16940	5.8
275.16388	2.7
281.12698	2.5
305.22455	3.0
323.23828	6.6
333.22037	22.4
341.24774	10.6
348.06940	2.6
351.23172	60.7
359.25558	2.3
369.24271	51.3
387.25302	46.5
405.26108	2.6
425.26654	2.5
443.22504	2.9
443.27975	35.8
455.02734	2.6
461.28979	100.0
462.29086	2.5
479.30103	14.1
531.30109	2.2
609.23096	3.0
641.32996	9.9
654.26508	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.3525
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	4.5
55.01861	7.1
55.05507	40.4
57.03424	9.4
57.34690	1.9
59.04999	3.5
60.60686	1.9
61.02927	23.2
62.28134	2.3
65.03922	4.8
66.18868	2.1
67.05496	59.2
69.03416	16.8
69.07060	35.2
69.72520	18.4
70.06599	3.6
71.01347	2.1
71.04984	11.1
72.08143	3.5
72.12245	2.1
73.02908	8.9
79.05486	54.4
79.50646	2.0
80.96294	2.7
81.03397	19.8
81.07045	67.2
81.21489	2.0
83.04978	10.1
83.08607	27.4
84.08178	3.1
85.02895	28.0
85.06532	5.7
91.03938	11.0
91.05471	73.6
93.07031	55.0
93.07590	4.4
95.04940	13.8
95.08601	43.6
97.02884	21.1
97.06516	15.6
97.10161	12.8
99.04452	4.0
99.08098	3.2
100.02754	2.2
101.21423	2.3
103.05495	5.4
105.07021	57.1
107.04957	9.9
107.08578	25.9
109.02877	7.9
109.06514	9.2
109.10136	14.7
111.04437	4.6
111.08076	6.9
115.05444	8.9
116.06177	3.1
117.07005	52.3
119.04946	3.3
119.08574	33.0
121.05663	2.2
121.06523	8.5
121.10117	21.8
123.04536	2.9
123.08086	8.0
123.11704	3.2
124.90813	2.2
125.09609	5.0
127.03922	9.4
127.05578	2.1
127.07520	3.1
128.06197	13.2
129.06995	67.1
130.07730	2.0
131.04893	3.2
131.08551	74.6
133.06485	9.7
133.10117	23.6
135.08046	8.3
135.11696	8.9
136.06194	5.4
137.09593	4.5
139.11136	4.3
141.06958	29.7
141.09042	2.9
142.07744	5.5
143.08554	52.1
145.06462	10.4
145.10115	27.6
147.08034	8.6
147.11661	10.8
149.09598	9.6
149.13258	4.2
151.11165	4.6
153.06993	5.6
154.07806	6.1
155.08553	44.8
157.06493	4.3
157.10132	32.4
159.08037	9.9
159.11668	20.9
161.09590	9.1
163.11185	8.9
165.06976	6.0
165.09125	3.2
166.07675	3.3
167.07123	3.8
167.08527	21.3
169.10101	19.1
171.08067	7.4
171.11702	15.1
173.09653	5.5
173.13307	6.3
175.11127	10.7
177.12762	8.0
179.08551	9.5
180.09390	3.0
181.10092	22.8
183.08020	2.4
183.11664	16.0
185.09647	4.0
185.13190	12.3
187.11214	6.5
189.12740	4.3
191.10582	2.7
193.10130	10.1
193.12056	3.4
195.11673	26.2
197.09583	2.7
197.13182	13.6
199.11115	5.3
199.14880	5.9
201.12804	6.6
203.14360	3.8
205.10158	4.4
205.12222	3.2
207.11697	12.0
207.13649	3.3
209.13196	15.1
211.11012	4.4
211.14879	9.1
213.12758	5.9
213.16394	6.3
215.12627	3.7
215.14453	2.5
219.11810	4.4
219.13724	3.6
221.13321	20.5
223.14818	19.2
225.12727	7.5
225.16342	3.8
227.14153	3.1
229.14297	4.7
231.13754	3.1
233.13219	4.7
233.15416	9.1
235.14828	9.1
237.16415	5.1
239.14302	10.9
241.15855	6.3
243.13811	3.8
247.16983	5.1
251.14432	3.0
253.15872	8.3
257.15329	9.0
259.16983	5.1
269.15527	2.6
271.16919	10.2
275.16434	4.3
285.18582	3.3
299.67484	2.3
305.22522	2.4
315.21005	5.8
323.10315	2.6
323.23779	14.1
333.22025	29.4
341.24570	13.3
351.23154	100.0
359.25922	3.1
369.24191	68.8
383.12286	5.8
387.25250	64.7
400.72186	2.3
405.26157	3.1
425.26941	5.0
443.27875	37.6
461.28998	85.0
479.30057	17.1
495.27039	2.7
531.29498	5.0
549.30176	3.5
604.08423	2.3
609.22882	3.6
641.32275	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	641.3525
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	8.8
55.01856	9.3
55.05505	58.0
59.04982	6.5
61.02902	5.1
67.05499	55.1
69.03412	14.3
69.07058	26.0
70.06564	5.5
70.56004	19.1
71.04980	8.2
79.05480	49.3
81.03420	21.0
81.07043	52.2
83.04970	8.8
83.08605	40.3
84.08119	7.5
85.02879	12.0
85.06540	5.2
91.05467	35.4
93.07039	40.7
94.07349	4.9
95.04941	13.4
95.08604	30.0
97.02871	12.2
97.06481	5.7
97.10162	48.8
98.20818	5.1
103.05447	7.4
105.07023	40.4
107.04942	7.4
107.08582	40.6
109.02859	10.8
109.06510	9.3
109.10139	16.7
111.04469	5.2
111.08112	5.1
117.06994	13.4
119.08585	35.8
120.08003	4.0
121.06482	11.0
121.10101	14.4
123.08086	5.8
123.11725	4.7
125.09618	34.7
127.03880	14.2
128.06293	4.2
128.43204	3.9
129.06976	16.1
131.08546	30.6
133.06558	5.8
133.10115	18.9
135.08015	16.5
135.11687	6.5
141.07014	4.8
143.08542	19.4
145.06516	10.3
145.10074	17.0
145.62450	3.8
147.08041	7.7
147.11681	8.9
149.09601	6.9
153.09000	4.7
155.08563	8.4
157.10071	16.7
159.08041	5.3
159.11716	7.4
163.11105	5.2
165.09120	5.6
169.10110	8.0
171.10109	4.1
171.11670	7.8
175.11098	6.0
183.11687	8.3
187.14771	5.0
189.11215	26.7
197.13255	6.9
199.14798	17.9
201.12654	9.3
217.15828	24.9
227.12703	24.4
230.30344	4.4
257.15427	5.4
267.15900	6.1
269.12811	5.6
351.23041	10.3
369.24142	24.0
382.83542	4.2
387.25150	15.9
429.26242	5.3
443.27783	34.9
461.28931	100.0
479.29767	12.8
531.29663	5.1
623.34186	15.4
641.24933	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	641.2963
Annotation	Scortechinone S
Peak:m/z	Relative Intensity
55.05498	3.2
57.07059	2.0
67.05499	5.7
69.07051	3.3
71.72868	2.5
79.05474	7.0
81.03419	1.7
81.07053	5.6
83.08618	1.7
83.18380	1.6
85.10210	1.3
91.05479	6.3
93.07045	4.6
95.04979	1.3
95.08602	4.0
95.99027	1.3
105.07026	4.0
107.08561	1.6
109.10175	1.6
117.07013	2.3
119.08575	3.3
121.10128	2.4
129.07072	1.5
132.08221	1.3
133.10129	3.2
145.10085	1.8
188.48907	1.4
209.10646	1.4
224.13129	2.2
225.13858	2.0
227.20087	5.1
238.14621	1.8
275.20001	5.3
304.14487	1.7
313.15378	1.8
346.19339	1.4
349.23749	1.6
362.54196	1.4
384.17004	2.2
392.19714	2.0
393.20728	1.5
403.19440	2.0
404.19733	2.4
405.20932	2.5
406.21313	2.8
407.22266	6.5
412.16281	3.1
415.19318	1.9
416.20273	2.1
417.20755	5.2
418.21829	2.2
419.21906	2.1
421.23709	4.7
422.24387	7.5
427.18765	2.5
429.20959	2.3
430.21628	1.5
431.22302	3.2
432.22986	1.8
433.23837	5.9
434.24533	5.0
435.21680	1.9
444.18900	3.5
459.21597	4.5
460.22476	3.7
461.19525	3.1
462.20691	4.2
463.20804	2.2
472.22739	1.8
473.23380	2.7
474.24136	2.5
475.21149	4.7
476.21869	3.2
477.22821	14.5
487.25049	4.8
489.22690	2.2
491.24234	3.8
504.24677	2.0
505.25546	2.8
506.26688	2.0
515.24738	2.6
519.27325	1.8
535.23199	3.2
545.25555	8.4
546.25842	2.5
547.26971	14.2
548.26624	2.0
549.24927	13.8
550.25665	14.7
563.26227	4.7
564.27045	2.4
565.27893	1.9
579.29645	9.3
581.27509	2.0
591.25952	15.1
605.27594	22.7
609.27252	9.3
623.28625	100.0
624.29059	1.7
641.28638	7.4
641.40222	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	641.2961
Annotation	Crooksiine
Peak:m/z	Relative Intensity
55.05509	0.3
67.05489	0.6
69.07063	0.4
70.93890	0.8
76.78363	0.4
79.05505	0.6
81.07037	0.6
91.05465	0.5
93.07008	0.5
95.08639	0.4
107.08615	0.5
119.08559	0.4
131.08597	0.3
149.02397	0.3
193.04968	0.8
258.08456	0.3
275.19965	0.6
284.29617	0.6
306.27914	0.4
307.28101	0.5
349.13419	0.4
377.17484	0.8
379.19202	1.0
390.18088	0.5
391.19238	1.4
392.20068	1.0
393.20926	2.1
403.19177	0.5
404.20410	0.4
405.16385	2.0
405.21533	0.7
406.17838	1.1
406.22284	0.5
407.18045	0.6
407.22708	4.5
408.23297	0.7
418.17822	1.0
419.18112	2.8
420.18866	2.0
421.20236	4.8
422.20874	0.6
423.21936	1.1
432.19464	0.4
433.20288	5.4
434.21109	4.2
435.22003	7.1
436.22702	1.6
437.23920	0.7
447.22583	1.5
448.18564	0.5
449.19547	7.9
450.19952	0.8
451.21353	0.5
461.19092	0.5
461.24133	0.4
462.20432	0.7
463.20975	3.0
464.21973	1.8
465.18704	0.6
467.24530	1.0
477.22934	0.8
479.20212	0.7
480.21362	0.5
481.22025	1.8
491.24869	0.4
493.21558	1.8
494.23013	3.3
495.23843	3.3
505.22476	0.4
507.24518	1.7
509.25656	0.5
521.25659	10.3
522.26001	1.1
523.26862	0.7
535.23376	0.7
539.23273	1.2
543.36871	0.4
549.24829	0.7
550.25458	0.6
551.26190	0.6
553.25610	0.5
563.26624	1.4
567.25879	0.5
581.27600	18.9
582.27814	1.5
609.26337	1.0
613.29688	0.4
623.42828	0.5
641.29639	100.0
642.29462	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	641.2961
Annotation	Crooksiine
Peak:m/z	Relative Intensity
70.20293	0.5
71.75685	1.1
81.06149	0.6
83.19884	0.5
120.32851	0.7
154.28275	0.5
190.62294	0.6
265.13452	0.6
286.99039	1.3
391.19376	1.1
400.63794	0.6
404.16760	0.8
405.16718	1.4
405.21259	1.0
406.21738	1.0
418.17773	0.9
419.18817	2.1
420.23541	0.9
421.24167	0.9
433.20343	2.5
434.20871	2.0
435.22388	0.7
446.17020	0.7
447.17780	1.5
448.23099	1.0
449.23407	1.1
461.19516	9.4
462.20392	3.4
463.21506	1.6
465.18991	1.5
467.24554	2.0
475.21451	0.7
476.22064	2.2
477.22858	3.2
479.20709	1.3
480.21713	1.0
489.23196	1.2
493.22720	1.9
494.22971	3.1
495.23508	0.9
507.24194	0.7
521.22101	1.9
526.25049	0.6
548.24268	2.6
549.24994	1.8
553.27930	1.6
563.26550	4.6
576.23389	0.8
581.27509	9.8
582.27765	0.6
608.26117	2.1
609.26807	0.9
623.28595	1.7
641.29626	100.0
642.30151	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	640.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.0
53.76078	0.7
55.01858	1.7
55.05500	9.2
57.03432	7.3
59.04952	0.9
61.02925	3.8
62.59291	0.8
65.33560	0.6
66.34579	0.6
69.03426	11.0
70.06590	4.2
70.32732	1.7
70.33121	2.2
71.01344	1.5
71.04983	37.2
72.08144	2.0
73.02902	3.4
75.04481	5.1
81.03413	5.7
81.07070	0.9
83.04972	79.9
84.04483	1.4
84.08133	1.1
85.02897	100.0
86.03254	1.3
86.09676	1.3
87.04464	3.5
89.06024	1.5
91.03943	1.7
93.07037	1.1
95.04971	1.5
95.08595	1.2
97.02877	19.4
99.04448	5.0
101.06005	2.7
103.03948	1.9
107.08586	1.2
109.02882	4.3
109.06544	0.7
110.07047	0.7
111.04430	40.3
115.03916	0.8
121.02856	8.0
121.06432	0.8
121.10146	2.3
123.04440	1.4
127.03902	17.9
129.05461	50.9
131.04907	0.8
135.04474	0.8
137.06035	1.3
145.04948	14.9
147.06514	18.7
147.07649	1.4
149.06026	1.4
153.05435	6.7
163.05957	3.7
165.07571	1.2
177.11285	0.7
177.16441	2.1
191.06989	0.8
207.06572	0.8
209.08238	0.9
237.07649	7.3
255.08617	10.9
255.11015	0.8
273.09616	6.4
273.46191	0.9
291.10663	1.0
309.11835	2.4
328.47217	0.8
332.11606	0.8
415.19717	0.7
425.17896	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	640.3166
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.4
53.11039	0.4
55.01852	0.7
55.05504	6.6
57.03427	1.4
57.07071	2.5
59.04969	0.5
61.02910	2.2
67.05502	4.9
69.03420	5.9
69.07056	11.6
70.06573	4.1
71.04979	1.0
71.74539	0.8
72.08144	1.9
73.02908	1.1
77.03902	0.6
79.05486	4.8
81.03414	3.6
81.07048	11.1
83.05020	0.6
83.08167	0.7
83.08617	8.4
84.04465	0.6
84.08139	2.5
85.02892	18.0
85.03393	1.0
86.09706	1.8
87.00826	5.1
91.03935	0.6
91.05470	4.7
93.07033	18.3
94.64795	0.5
95.04964	1.5
95.08597	30.7
97.02875	7.2
97.03461	0.7
97.06564	0.6
97.10172	3.8
99.04446	1.9
101.02381	0.7
103.14720	0.5
105.01134	1.0
105.01854	25.8
105.07011	4.9
107.08579	42.2
109.02895	3.7
109.06496	1.0
109.10140	9.5
110.07146	0.8
111.08075	1.4
115.03850	0.6
119.08557	1.7
121.10130	71.1
123.08104	1.2
123.11691	4.0
125.09617	2.0
127.03905	13.5
129.10226	0.9
133.10158	0.6
134.05891	0.5
135.11678	15.0
137.13245	19.9
139.11159	2.5
140.10599	0.5
145.04936	6.9
147.04387	0.6
149.13260	5.5
151.14821	0.7
152.07027	0.8
158.30292	0.5
159.02885	1.1
163.06027	0.5
175.14873	0.6
177.16365	100.0
178.16685	1.4
189.03883	0.9
195.17430	21.3
213.03885	1.0
231.04971	8.6
240.11296	0.5
249.06026	14.2
351.14273	0.9
425.17892	0.8
443.19058	0.6
464.14777	0.6
640.20044	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.432
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	2.0
55.41192	0.2
57.07067	1.0
58.06593	6.2
61.96205	0.1
67.05482	0.5
69.07041	0.6
69.43719	1.9
70.06569	0.4
70.84610	0.2
72.08146	12.0
72.67010	0.2
73.06545	1.8
79.05499	0.3
81.07050	0.5
83.04974	1.2
84.08131	0.6
85.08899	0.4
86.09695	21.3
91.05470	0.3
93.07018	0.5
95.04949	0.3
95.08598	0.2
98.06043	0.5
98.09665	0.4
100.11243	100.0
101.06013	2.4
101.11581	0.6
114.09071	0.2
119.08578	0.2
128.10692	0.5
128.28026	0.2
130.37750	0.2
131.08580	0.2
138.12781	0.2
140.14311	3.5
143.08224	0.2
145.10115	0.3
146.11752	2.7
154.12283	1.3
154.15906	0.5
172.13278	2.2
174.14893	0.2
182.11761	0.4
182.15414	0.2
185.21985	0.2
186.14883	0.3
195.68993	0.2
200.12767	0.2
200.16472	1.6
200.34915	0.2
210.14784	0.2
211.14410	0.5
214.14294	0.8
224.67958	0.2
228.15930	6.6
229.16368	0.2
233.13397	0.1
245.18689	0.2
249.19579	0.3
275.20047	0.3
285.21686	6.3
286.22394	0.2
287.23303	0.3
291.19910	0.2
293.21179	0.6
294.21423	0.4
295.20093	0.3
299.23282	8.3
309.21539	0.3
313.21313	0.5
313.27515	0.2
327.22754	15.0
339.26294	0.2
353.27777	0.2
367.26013	0.4
394.27155	0.2
395.25522	1.1
399.28268	0.3
412.31802	0.7
414.59833	0.2
427.28156	0.6
440.31125	2.9
458.32239	5.8
484.33878	0.6
498.35254	0.2
512.33636	0.6
526.34869	0.6
540.36310	0.3
581.36188	0.2
611.43713	31.0
612.43939	1.2
621.40936	0.3
639.43256	7.5
640.43677	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.3552
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58169	0.6
54.39032	0.7
55.05405	1.4
55.05666	1.2
56.96437	6.9
56.96754	3.0
59.96509	0.6
67.05367	2.9
67.05752	1.3
69.06950	1.6
71.75424	0.8
71.95161	1.3
71.95507	0.7
72.93680	0.9
79.05334	2.8
81.03279	1.5
81.03699	0.7
81.06895	3.9
83.04847	0.6
83.08488	0.9
90.94654	0.8
91.05318	3.2
93.06872	2.0
95.04849	1.3
95.08444	1.7
97.02765	1.2
97.06393	0.9
97.10049	1.0
98.97454	0.7
105.06862	1.8
107.08408	2.1
109.02702	0.6
109.10014	1.1
111.04285	0.6
115.41885	0.8
116.98473	1.9
117.06893	1.0
119.08463	1.5
120.07990	0.9
121.09959	0.8
127.03740	0.7
128.98399	2.4
131.08427	1.2
133.09996	1.4
145.09998	0.8
146.99472	2.6
147.04205	2.4
147.11516	1.1
148.04584	0.8
148.98819	0.7
153.02031	0.7
157.01579	0.8
157.09933	0.7
159.11523	0.9
165.09145	4.3
169.01587	1.0
171.03099	2.7
175.02641	0.7
183.03064	0.7
185.04834	3.1
189.04132	3.1
197.04581	0.7
199.06369	4.6
199.10948	0.6
203.05867	5.3
204.06380	0.7
205.07243	0.9
211.06314	1.1
217.07405	6.2
223.02654	1.6
225.04312	0.8
226.05096	1.1
226.07274	0.9
227.05873	0.8
229.07191	1.0
237.04315	3.7
239.05826	0.8
239.09325	0.9
241.07248	1.0
243.09047	1.1
253.06859	0.9
253.10960	1.6
253.15503	0.7
255.05290	1.1
255.08688	1.4
262.08633	1.1
267.08820	2.5
269.10358	0.7
271.12082	1.0
278.08194	1.1
279.08578	1.2
280.09631	3.4
281.09769	0.9
285.09988	1.8
289.14560	0.9
297.07324	0.8
298.10715	1.8
307.15652	2.1
313.16516	0.8
329.14536	3.4
331.15622	21.5
342.12372	0.9
345.11334	1.8
347.12643	7.5
347.15387	10.2
349.16806	100.0
350.17197	3.5
365.14206	18.8
367.17786	3.8
368.14029	0.8
370.16513	0.8
372.18396	19.5
373.18753	0.9
388.16058	4.4
430.17606	0.7
470.17017	1.0
521.21289	0.7
551.26727	2.1
579.26526	1.2
607.25616	1.4
611.28613	7.3
639.28015	3.5
639.36102	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	639.3371
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00305	2.5
53.03932	15.3
55.01855	15.4
55.05501	40.8
55.77392	2.1
56.77695	2.5
57.03424	14.3
57.07058	4.7
59.05011	3.0
65.03925	5.8
67.05496	100.0
69.03416	49.6
69.07060	24.5
71.01329	7.9
71.04986	14.6
71.74275	3.1
71.74689	2.7
73.02890	4.4
79.05479	63.3
81.03406	97.5
81.07045	94.9
81.07449	1.3
81.07540	2.7
83.04973	22.0
83.08608	24.7
84.08091	3.2
85.02880	21.7
85.06525	8.7
87.04452	3.8
91.04913	4.5
91.05463	51.9
93.07029	72.3
95.04947	21.7
95.08586	34.4
97.02877	33.0
97.06505	14.1
97.10147	14.7
99.04445	11.5
99.08094	3.7
105.04510	3.1
105.07017	25.0
107.04935	19.3
107.08580	45.4
107.64309	2.2
109.02856	24.9
109.06506	8.9
109.10135	27.4
111.04435	15.8
111.08036	6.8
113.05980	2.7
117.06984	17.7
118.43560	2.3
119.04864	2.7
119.08571	21.9
121.06461	9.0
121.10134	21.1
123.04411	4.5
123.08047	7.3
123.11661	4.3
125.09627	13.6
127.03891	27.8
128.06172	2.6
129.05479	4.0
129.07002	7.3
131.08556	18.6
133.06461	4.8
133.10097	15.2
135.04443	2.7
135.08061	4.5
135.11682	17.4
137.09598	4.6
139.11128	3.9
143.08470	5.1
145.06439	5.5
145.10110	17.3
147.08064	5.7
147.11673	8.7
149.09607	5.6
149.13248	18.9
153.12727	15.3
155.08531	5.4
157.10115	4.9
159.11679	9.0
163.11156	25.7
165.12732	3.5
171.08043	4.2
171.11638	3.7
173.04446	31.7
173.05811	4.3
173.09619	5.0
173.11742	6.9
175.11226	2.6
177.12723	8.1
181.12199	9.1
189.11163	6.6
191.10686	14.4
193.12167	4.9
195.13789	15.3
199.13249	3.2
207.10045	2.3
209.11711	22.1
213.14661	3.4
227.12744	30.2
229.14294	6.6
253.13956	3.1
261.14883	3.9
265.14420	2.7
269.17426	15.9
273.11084	2.6
273.14703	2.0
273.18579	3.1
275.16525	2.7
283.15295	12.9
285.17096	2.6
287.16428	3.5
297.16980	3.6
306.08099	2.5
329.11285	5.2
353.15808	7.7
377.19662	3.6
385.23343	2.8
423.27435	13.4
427.19443	5.8
431.28122	3.5
459.26895	3.6
477.28363	14.8
495.29614	10.9
510.12228	2.9
621.32782	16.2
639.33594	56.9
664.53217	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	639.3367
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	10.8
55.01867	11.8
55.05508	32.7
55.32325	1.9
57.03429	17.1
59.04976	2.7
61.02872	2.6
65.03922	4.1
67.05495	75.8
69.03418	30.5
69.07056	25.0
71.01343	6.0
71.04984	19.7
71.73225	3.0
73.02863	2.5
79.05484	58.0
81.03407	100.0
81.07046	85.6
83.04973	26.6
83.08609	21.5
85.02893	18.8
85.06525	7.4
91.05468	41.5
93.07034	64.2
95.04957	20.1
95.08592	36.5
97.02314	3.2
97.02885	32.2
97.06530	17.6
97.10155	8.6
99.04441	13.6
99.08067	3.4
100.37053	1.8
103.03925	2.0
103.05456	2.9
105.04468	1.9
105.07019	24.8
107.04962	15.0
107.08599	36.3
109.02870	30.3
109.06491	9.6
109.10165	12.5
111.04450	16.8
111.08057	9.1
115.05440	4.3
117.07011	19.7
119.04955	3.0
119.08569	19.9
121.06483	8.6
121.10120	22.6
123.04425	3.0
123.08051	6.3
123.11665	5.5
125.09612	8.0
127.03904	20.9
129.05476	4.8
129.06981	9.2
131.04906	3.4
131.08549	20.1
133.06517	4.9
133.10121	17.0
135.08018	6.2
135.11671	19.9
137.09621	4.9
139.11148	4.3
141.07021	3.2
143.08524	4.9
145.06483	4.6
145.10120	18.0
147.04402	3.3
147.08057	6.4
147.11667	8.7
149.05939	3.4
149.09567	5.5
149.13222	15.5
151.11179	4.0
153.12724	8.8
155.08522	4.9
157.10115	5.4
159.11687	9.3
161.09564	2.2
163.11157	25.6
165.05496	2.3
165.12610	2.9
167.08603	2.0
171.08041	2.5
171.11717	2.6
173.04417	19.9
173.09612	7.9
175.11115	3.8
177.12706	6.3
179.10735	2.7
181.12247	8.2
185.09584	2.2
189.09135	3.0
189.11162	3.3
189.12721	2.6
191.09128	2.5
191.10625	12.8
193.12241	4.9
195.13768	10.5
201.12718	2.4
201.14627	2.3
209.11705	31.3
213.12830	2.6
213.14722	3.8
215.14345	6.1
219.13873	3.3
227.12759	25.7
233.15352	3.3
247.13350	3.7
253.17943	2.7
261.14810	3.6
265.14111	2.9
267.15881	5.3
269.17484	14.5
275.16348	2.4
281.13702	3.5
283.15500	13.0
285.14542	4.1
301.16235	5.0
303.15854	4.3
321.16815	3.3
339.17874	5.5
353.15948	6.6
377.19501	3.0
385.23587	6.6
395.20605	5.3
427.19540	6.3
437.28754	4.4
459.27328	11.2
477.28629	23.6
495.29614	9.6
567.28931	2.6
585.30383	2.7
603.31525	4.5
621.32751	20.7
639.33691	45.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.3368
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	16.3
55.01865	12.8
55.05507	38.1
57.03429	13.5
57.07062	3.4
59.04993	5.7
65.03932	5.4
67.05138	4.8
67.05498	90.7
69.03423	33.7
69.07056	25.7
70.06577	5.9
71.01352	7.2
71.04989	18.8
71.75009	4.2
71.75393	4.2
79.05483	67.4
79.05922	5.4
81.03411	100.0
81.07043	98.4
83.04984	29.7
83.08614	22.8
84.08139	4.9
85.02891	25.2
85.06533	6.9
86.09705	6.2
91.05481	60.2
93.07036	78.9
95.04944	23.3
95.08600	42.2
97.02891	30.0
97.06518	18.3
97.10169	15.5
99.04436	12.8
103.05463	6.2
103.45432	3.2
105.07015	37.3
107.04941	20.2
107.08591	48.0
107.50756	3.4
109.02878	28.7
109.06512	6.6
109.10129	15.4
111.04452	13.2
111.08054	7.9
117.07001	27.3
119.08558	21.3
121.06526	7.3
121.10149	22.7
123.04434	3.7
123.08050	8.8
123.11726	4.3
125.06005	2.9
125.09635	17.8
127.03904	24.7
128.06198	5.1
129.05446	4.1
129.07005	9.2
131.04904	4.9
131.08571	22.0
133.06514	7.8
133.10123	22.6
135.08092	5.3
135.11665	22.2
137.09618	6.4
141.06960	6.3
143.08574	4.7
145.06482	7.4
145.10092	19.6
147.08064	8.8
147.11713	15.2
149.09633	7.8
149.13239	22.4
151.11171	4.8
153.12750	10.1
155.08528	8.5
157.06494	4.7
157.10167	6.5
159.08115	3.5
159.11690	13.0
161.09631	6.4
163.11194	28.0
165.09050	3.4
169.10074	6.4
171.11650	4.4
173.04495	18.2
173.05806	3.4
173.09587	6.2
173.13319	4.6
177.12773	10.0
181.12207	8.5
189.11165	4.8
191.10693	13.0
193.12274	4.5
195.13771	16.7
207.13689	3.7
209.11665	30.9
213.14929	4.1
215.14369	10.0
220.60953	3.3
225.11111	6.5
227.12738	33.8
229.14392	4.0
250.52206	3.5
253.18126	4.9
265.14319	5.8
267.15900	8.0
269.17444	17.6
271.16953	3.3
283.15372	16.5
298.53668	3.2
301.16525	4.6
303.16086	5.0
321.17038	4.8
339.17810	7.5
353.16116	4.7
367.22516	7.3
385.23679	6.6
395.20416	5.9
427.19452	4.8
441.26532	10.1
459.27356	29.9
477.28418	21.8
495.29358	5.3
603.31207	5.2
621.32367	20.6
622.23450	3.6
639.33551	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	639.2809
Annotation	Cryptophycin 46
Peak:m/z	Relative Intensity
55.05500	0.6
55.70519	0.3
62.80205	0.3
67.05495	1.3
68.71664	0.3
69.07072	0.8
70.08552	1.7
79.05500	0.7
81.07056	1.0
83.08652	0.4
91.05466	1.1
93.07040	1.0
95.04941	0.5
95.08585	0.6
97.06540	0.6
100.99246	0.3
105.07035	0.9
107.04971	0.4
107.08576	0.6
109.10162	0.3
111.75404	0.4
112.07285	0.3
117.07111	0.4
119.08614	0.9
129.82983	0.3
131.08516	0.5
141.02695	0.3
145.10175	0.5
147.11772	0.4
149.44366	0.4
172.03963	0.7
192.40388	0.3
204.06641	0.7
225.10315	0.6
226.10925	0.4
239.11865	0.4
249.10268	0.4
251.11810	0.4
275.20126	1.5
279.11395	0.4
285.12500	0.4
291.19586	0.8
311.14136	0.3
313.27451	0.8
327.13837	0.4
328.14468	0.8
356.14005	0.5
356.63586	0.4
379.19006	0.4
391.15289	0.8
391.19733	0.5
392.16196	0.7
393.17053	1.1
405.17072	1.1
406.18140	1.3
407.18512	2.0
408.18661	0.4
417.16989	0.6
419.14200	0.6
419.18713	1.1
420.19577	1.1
421.20477	5.2
422.20901	1.3
423.22015	0.6
432.19940	0.5
433.20428	1.4
434.17401	1.4
434.22089	0.6
435.17358	2.6
436.22937	2.2
447.16956	0.4
447.21918	1.5
448.18652	2.3
449.19644	8.9
450.20340	2.3
451.21506	0.8
459.18176	1.1
460.18750	0.5
461.20047	1.8
462.21112	0.6
463.21503	5.5
464.22101	5.6
465.22934	1.3
473.19250	0.6
474.20529	1.2
475.21606	2.1
476.18228	0.4
477.18689	5.6
478.19980	2.3
479.20743	1.0
491.20883	0.7
492.20880	0.4
493.22476	1.2
495.23743	0.8
505.22452	1.0
507.24017	1.1
519.23773	0.6
521.22119	1.2
523.23364	2.1
533.21954	1.0
535.23444	3.1
536.24066	1.4
537.21857	1.3
547.23322	0.8
549.21259	0.6
550.25732	1.2
551.26788	2.8
561.25018	3.6
563.23169	0.7
564.23663	4.0
565.24402	2.3
567.25879	0.5
579.26056	7.6
581.23877	0.7
592.23236	0.4
593.27173	0.4
595.25732	2.1
596.26343	0.5
607.25476	1.1
610.27417	0.8
611.28748	2.5
621.27197	3.6
624.25818	5.4
639.28082	100.0
640.28333	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	639.2807
Annotation	Unknow
Peak:m/z	Relative Intensity
61.24592	10.4
70.66389	29.7
70.66779	20.0
85.26563	11.2
96.66323	10.2
119.98575	11.4
137.05989	11.0
138.58205	11.6
179.54301	11.2
212.97896	10.4
225.13652	12.5
279.98480	11.3
301.42432	10.5
459.21582	44.8
547.26898	22.5
579.25775	14.1
606.28406	100.0
607.24310	17.8
611.28271	20.0
639.27582	63.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.2807
Annotation	Unknow
Peak:m/z	Relative Intensity
55.91496	5.4
66.32749	5.8
67.59668	4.8
71.67548	4.7
71.73507	7.8
76.93541	4.8
80.50274	5.0
81.78838	5.4
112.39439	5.7
216.67111	6.2
253.13298	5.6
345.01944	5.4
433.23804	5.4
444.19394	7.1
459.21655	43.7
460.22537	9.6
547.26825	24.7
579.25226	15.7
606.28357	100.0
607.25562	12.0
611.28143	12.8
621.27234	7.9
639.27234	35.3
640.27991	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	638.4619
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	4.1
55.05507	12.9
57.02011	2.0
57.03418	6.5
57.07054	2.2
65.21243	1.7
66.91910	2.1
67.05499	23.9
69.07069	9.6
69.46046	5.0
69.46465	14.6
76.88636	1.7
79.05487	14.7
81.07051	43.0
83.08615	5.5
87.01006	1.7
91.05464	5.6
93.07037	8.1
95.08595	24.1
97.10199	2.9
105.07014	5.9
107.08564	12.8
109.06510	7.2
109.10170	7.4
111.04443	12.7
111.72946	1.7
119.08553	8.5
121.10120	3.8
121.29543	2.2
125.05972	4.7
125.09605	2.2
133.10115	3.9
135.08044	2.1
137.05966	100.0
145.10056	2.0
147.11707	2.6
151.07594	3.6
157.10104	2.2
161.09630	3.2
175.14806	6.1
182.12189	2.1
185.13248	4.8
195.68028	1.7
203.14365	4.5
213.12590	3.2
221.15402	2.4
249.14774	11.9
267.15887	27.1
323.18457	5.2
337.27344	40.0
585.41412	41.6
586.41840	2.7
639.35370	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	638.207
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58466	4.7
53.03929	7.0
55.01876	7.0
57.03448	8.6
58.92337	4.7
66.47599	5.6
67.05463	6.4
69.03420	14.0
69.98917	5.7
70.04039	10.1
70.06596	39.0
71.03815	13.0
71.04167	6.6
71.05003	6.5
72.08138	13.6
79.05499	6.6
81.03401	13.3
84.04483	9.2
84.08120	12.2
84.62673	5.2
85.02884	22.8
86.09692	11.6
91.05454	20.9
93.06925	5.1
95.04919	13.2
97.02853	9.3
102.20628	5.1
103.03928	7.1
103.05450	18.8
105.03393	100.0
105.07027	13.7
115.05424	15.4
117.06919	5.9
119.04878	7.7
119.08582	8.2
121.02855	18.4
123.04460	6.0
127.03920	6.9
131.04901	25.0
132.08064	21.3
134.09631	7.7
136.07637	5.9
144.08075	25.4
145.06464	10.4
147.04361	7.0
148.07608	5.9
160.07610	35.4
162.09116	6.4
163.03886	6.7
165.01646	6.2
170.06029	43.4
172.07555	9.6
173.06009	7.0
174.50836	6.1
175.03824	7.9
175.14810	18.4
177.05482	7.3
187.04048	9.9
188.07001	29.5
189.01831	8.2
189.05443	8.5
191.03404	13.2
195.02852	16.0
201.05432	11.8
203.03418	14.7
205.05074	6.6
207.02879	23.5
215.03351	7.3
217.05174	6.0
219.02905	13.5
221.04393	7.1
228.03766	5.6
229.05034	8.0
231.02872	15.3
233.04362	7.5
235.05891	6.4
237.03758	8.8
261.03949	9.4
261.09061	10.8
265.08560	9.1
266.05536	6.6
267.06439	19.1
273.03891	7.0
277.02039	6.0
277.08582	15.8
278.05725	11.3
279.06448	22.8
280.07211	8.2
281.08127	14.0
283.05795	13.7
289.08514	8.7
291.06461	7.0
292.07025	7.8
293.08035	19.0
294.05243	15.5
295.06042	47.5
295.09067	9.1
297.07574	16.1
303.09860	6.7
305.08200	17.0
306.08081	6.4
307.05951	35.9
307.09564	23.4
308.09390	11.8
309.04498	6.5
309.07480	41.0
317.07935	10.5
319.09216	10.0
320.09222	21.6
321.07535	46.6
323.08902	17.0
325.07034	54.8
332.09225	16.7
333.07614	18.1
334.10742	7.5
335.09055	24.1
337.06851	43.7
339.08679	16.5
344.09390	9.4
345.07303	10.8
347.09207	13.5
349.06964	22.6
349.10715	10.3
350.10193	32.0
351.08609	35.1
353.10077	6.6
355.08130	22.5
361.06870	11.3
362.10172	18.5
363.08688	32.8
373.10684	11.1
374.10056	10.1
375.08676	18.8
377.09872	12.9
379.08105	35.8
380.11154	16.8
386.10300	11.3
387.08618	8.8
391.07849	13.0
393.09375	11.9
398.12393	12.1
403.08154	18.3
404.11105	21.2
405.08789	8.9
409.09164	23.2
416.11160	11.4
421.09106	14.2
422.12231	13.3
423.10721	13.1
427.10123	16.5
428.11273	18.1
429.11041	6.1
434.12381	16.3
439.10254	18.2
440.13501	8.6
441.11649	22.9
446.12363	6.7
452.13089	19.2
455.13141	8.0
457.11243	30.4
458.14377	60.2
459.12717	8.0
464.13257	13.4
465.12009	7.8
470.13174	6.0
477.12698	6.8
481.11185	15.7
482.14365	41.2
483.12585	17.7
488.13354	9.2
489.11865	6.3
500.15430	41.5
518.16113	18.7
523.12537	7.0
524.15594	7.1
541.13367	8.9
548.15106	8.6
554.16919	8.4
565.93353	7.3
566.16193	7.4
584.17297	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	638.1859
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	3.2
55.05493	1.6
57.03430	2.6
61.02917	1.9
67.05506	3.1
68.99757	1.4
69.03423	2.1
69.48901	13.5
70.06586	26.2
71.06921	2.2
72.08145	3.5
79.05489	2.6
79.64101	1.4
81.03411	4.5
81.07060	2.7
84.08128	3.1
85.02892	5.9
86.09694	6.4
91.05466	4.3
93.07042	3.0
95.04971	2.3
95.08578	2.5
96.05358	1.4
97.02902	1.8
103.05467	2.0
105.03349	1.8
105.07007	2.6
107.04948	3.7
109.02908	2.7
110.10379	1.8
114.10289	1.2
116.07098	2.8
116.42725	1.3
117.07008	5.3
118.06535	15.1
119.04906	1.7
120.08099	2.7
121.06497	1.6
121.10072	1.8
123.04451	3.0
127.03900	1.8
130.06512	100.0
132.08049	1.9
135.04393	7.7
136.07584	2.7
137.02338	41.0
137.03336	1.7
143.07278	3.6
144.08067	48.9
146.05991	4.5
147.06337	1.8
154.06482	1.7
160.07639	3.6
161.02332	5.5
163.03961	2.2
165.01779	3.0
167.03412	2.7
169.13240	3.2
170.13663	2.3
172.07559	34.6
175.03912	2.6
177.01793	1.9
177.11288	1.4
177.24782	1.6
179.03421	2.9
189.01802	8.0
189.05452	1.8
190.08614	67.1
191.03377	13.3
193.05150	1.3
194.02203	1.4
194.09929	1.3
195.02875	4.4
197.12811	2.8
203.03285	8.2
205.04919	2.0
207.02841	9.4
209.04381	7.8
211.03822	1.5
215.03307	3.0
215.07263	1.3
217.04897	5.4
219.02908	6.2
221.04488	5.1
227.11632	1.6
229.04991	5.5
233.04349	1.6
241.04858	1.8
245.04291	1.9
249.03830	1.8
257.04553	2.3
260.14746	3.0
269.04337	2.8
279.06525	2.1
283.05994	3.1
284.06775	2.6
285.03928	3.0
286.08456	1.8
288.06555	3.3
295.05954	3.9
296.06750	2.8
297.04190	1.7
297.07611	4.6
299.05444	16.9
300.06329	5.0
307.06000	1.8
308.06729	1.6
309.07611	6.7
310.04785	13.4
311.05478	30.4
312.06296	3.7
313.07019	4.6
314.08081	1.7
315.13284	7.2
316.13644	5.5
318.07837	2.3
323.05472	66.7
323.08792	3.2
324.06180	10.3
325.03482	2.3
325.06995	57.0
325.10883	3.3
326.07697	2.5
328.09970	1.7
329.06485	12.0
333.07526	1.9
335.05539	6.6
336.06165	4.5
337.06985	26.1
337.10980	2.4
338.07794	6.3
339.08566	7.3
341.06467	19.9
347.09058	2.5
349.06985	5.1
351.08582	20.5
353.06512	96.9
355.08051	8.6
359.07672	4.3
361.07117	2.8
363.08649	13.1
365.06430	12.8
365.10294	3.0
366.07645	1.9
367.08081	7.0
371.07574	42.6
375.08521	2.2
377.06488	9.6
379.08081	12.3
381.09534	2.4
383.07571	36.5
389.06253	3.4
391.08109	12.8
393.09808	2.7
395.07712	17.8
397.09192	5.1
401.08820	33.6
403.08279	7.5
407.07532	32.3
411.10553	2.4
413.08481	5.1
419.07578	23.0
421.09369	4.1
425.08643	54.7
431.09778	20.5
437.08667	21.2
438.09528	3.7
439.11014	3.3
440.10977	8.8
449.08615	12.0
452.11203	19.5
455.03830	2.8
455.09747	32.1
467.09650	24.6
470.12305	1.8
473.10797	20.3
478.12662	4.7
480.14713	1.6
482.12460	5.7
485.10724	36.0
488.12881	2.0
494.12033	4.1
500.13046	3.8
503.11749	21.3
506.12314	4.2
518.14105	9.4
524.13391	4.1
536.13232	5.3
542.14532	12.2
548.13367	4.5
554.14526	6.6
566.14252	5.4
572.15393	6.5
584.15186	3.2
602.16156	5.1
602.25220	2.0
620.27069	2.8
638.35187	2.5
655.05408	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.2649
Annotation	Unknow
Peak:m/z	Relative Intensity
53.34649	2.4
67.05495	3.7
70.01189	5.6
70.01602	12.8
79.05466	3.4
86.88464	2.7
91.05419	3.0
93.07054	3.2
93.26829	3.6
95.04968	3.0
105.06995	3.8
120.08100	4.2
127.70858	3.4
144.08200	3.1
178.40968	2.5
198.52141	3.0
273.00119	3.1
275.19781	3.5
306.20847	3.2
340.18271	3.3
393.20779	4.5
420.19391	5.8
446.21027	3.2
463.21353	3.6
473.19531	4.2
507.23990	5.1
549.24658	8.7
577.24414	9.6
601.58527	3.3
609.26825	4.6
637.26367	100.0
637.41528	4.8
638.27533	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.3786
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	1.9
55.01856	2.4
55.05281	0.4
55.05507	4.1
57.03434	14.7
57.07072	23.8
59.04975	0.7
61.02922	53.7
67.05500	7.4
69.03426	23.0
69.07066	5.4
69.64629	4.4
71.01345	2.6
71.04986	3.1
71.08252	1.2
71.08625	20.3
73.02522	1.1
73.02911	18.5
75.04464	2.0
79.05482	1.5
81.02942	0.8
81.03412	15.8
81.06609	0.7
81.07050	11.7
83.01308	0.9
83.04960	2.4
83.08620	7.0
85.02898	66.1
85.10178	10.5
87.04444	2.8
88.96476	0.5
89.05999	1.4
91.03951	39.5
93.07054	0.8
95.04977	0.9
95.08597	15.2
97.02884	59.2
97.06480	0.5
97.10165	3.2
99.04446	8.5
101.02373	5.3
103.03300	0.3
103.03933	8.3
103.07570	0.6
107.08572	0.8
107.19978	0.5
109.02871	11.1
109.10149	7.9
111.04431	1.8
111.11668	0.8
115.03928	5.4
117.05502	2.5
119.08544	0.6
121.10130	0.6
123.04406	0.7
123.11704	3.2
125.13293	1.3
127.03902	27.7
129.05426	4.3
132.46436	0.6
133.04910	0.8
137.05951	0.7
137.13228	1.9
141.05455	0.8
145.04947	16.5
151.14793	1.0
155.06984	1.2
159.06520	3.4
163.06041	3.6
165.05453	0.5
171.06480	2.2
183.06522	9.4
201.07561	7.2
219.08597	1.0
221.22546	0.8
230.41669	0.5
239.23672	19.4
257.24741	2.3
297.27963	0.9
311.25989	0.8
313.27338	100.0
314.27457	1.2
331.28497	1.1
341.26849	5.5
355.28455	4.7
367.28333	1.1
383.27646	2.5
385.29568	2.1
397.29492	1.7
401.28836	0.6
409.29364	0.6
421.29465	1.8
436.62552	0.5
439.30444	2.1
457.31552	14.6
475.32654	1.9
477.75006	0.6
613.25055	0.6
637.26660	0.6
637.38153	1.4
646.51593	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	636.4462
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.9
55.01860	4.7
55.05272	1.9
55.05509	20.2
57.03421	1.5
57.03963	1.4
64.80455	1.2
65.03920	1.8
67.05498	23.4
68.44179	1.2
69.03392	1.6
69.07059	9.9
69.49837	3.3
69.50254	9.6
71.04987	2.2
79.05487	25.0
81.03397	5.5
81.07050	59.0
83.04970	5.3
83.08609	12.5
85.06552	1.6
85.13512	1.4
89.06029	7.7
90.06399	1.9
91.05473	19.3
93.07041	17.7
95.04966	18.1
95.08602	13.1
97.06517	3.3
97.10159	13.8
98.20774	3.3
105.07013	19.0
107.04942	8.4
107.08582	16.7
109.06503	13.1
109.10168	7.4
111.04430	4.9
111.08057	5.2
114.70412	1.4
117.07001	8.9
119.08573	22.9
121.06459	5.2
121.10130	10.4
123.08059	6.5
123.11655	1.8
125.09629	13.6
129.06985	4.5
131.08533	10.7
133.06494	3.7
133.08543	4.0
133.10115	8.5
134.08969	1.5
135.08054	8.1
135.11667	4.8
137.09593	3.9
141.06996	2.3
143.08527	4.9
145.10086	14.8
147.07996	9.7
147.11635	9.7
149.09618	8.5
149.13213	2.7
153.09100	2.7
153.12724	2.5
155.08531	2.2
157.10091	4.7
159.11670	5.7
160.50125	1.5
161.09573	4.2
163.11182	11.1
165.09059	3.8
165.12674	1.6
169.10110	1.9
171.11665	3.6
173.09662	2.2
173.13245	2.1
175.11211	4.3
181.12241	3.6
185.13240	2.2
187.11151	1.7
189.11194	9.8
191.10641	4.0
193.12218	1.8
199.14879	1.7
199.19435	1.3
209.11705	1.7
223.13277	4.6
227.12770	7.6
227.17857	1.8
237.16408	1.8
245.18985	1.9
247.20496	3.3
249.14809	2.9
255.17406	3.0
257.18896	3.5
273.18472	26.8
275.20035	37.0
291.19519	100.0
292.19604	2.4
293.21130	7.8
295.56107	1.7
309.20554	8.4
354.13000	1.5
396.46384	1.6
450.42172	1.4
496.46243	1.4
565.38342	1.9
577.24542	2.0
583.40070	3.5
636.41095	3.0
637.26111	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	636.3386
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11582	0.2
55.05504	0.9
56.05029	0.3
57.05818	0.3
61.02905	0.3
67.05497	0.3
68.05016	0.5
69.03429	0.4
69.07062	3.0
69.57537	1.9
69.57957	0.5
69.94835	0.3
70.02934	0.4
70.06582	100.0
71.06931	0.5
72.08144	7.1
75.13633	0.2
79.05490	0.4
81.03438	0.3
81.07042	0.4
84.08130	0.5
85.02898	0.4
86.09696	23.7
87.04482	0.4
89.06022	0.4
91.05473	3.3
93.07062	0.4
94.06538	0.3
95.04979	0.3
97.02882	0.4
100.07626	1.3
103.03965	0.4
103.05479	0.6
105.03393	0.7
105.07035	0.7
106.06534	0.7
107.04958	0.3
112.07597	0.4
116.07094	0.4
116.10625	0.2
118.06528	9.2
119.04967	0.8
119.07320	2.0
119.08553	0.3
120.08086	6.1
120.08877	0.5
123.04465	0.3
127.08741	0.4
128.07109	0.3
129.10318	0.3
130.06509	0.3
131.04871	0.3
133.08624	0.4
136.07549	4.1
136.08479	0.4
137.05963	0.5
145.10139	0.3
146.05991	23.8
147.04387	0.4
147.06256	0.4
160.11244	0.4
161.06004	0.2
162.05518	1.1
164.07031	0.4
165.05490	0.5
167.08595	0.4
169.13344	28.4
170.13814	0.4
174.11502	0.4
174.12753	1.8
182.08179	1.1
186.12846	0.4
188.14294	1.3
195.08054	0.4
197.12840	11.0
200.10701	0.4
203.15482	0.3
204.13893	0.3
214.15611	0.3
219.08133	0.3
219.14786	0.3
223.07474	1.3
223.14365	0.4
228.10185	0.8
231.14893	5.2
236.10684	2.4
243.15060	0.3
245.12907	1.1
247.14513	1.1
249.44972	0.3
257.16592	0.4
259.14401	17.4
265.08563	1.3
270.11325	0.9
273.12421	0.5
275.13846	3.3
282.11249	2.0
295.16507	1.5
299.13925	0.6
316.20044	1.3
321.14316	2.4
342.18085	11.4
343.18781	0.3
358.21210	0.5
383.19724	0.7
386.20612	0.6
395.19821	0.8
412.22345	1.3
422.20581	0.3
427.26859	1.3
440.21747	9.0
455.26724	1.4
459.71451	0.3
468.21524	0.5
477.83853	0.2
522.26245	0.4
539.28442	1.3
567.28180	4.1
608.33923	0.4
636.33923	8.8
637.33453	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.4124
Annotation	Flexirubin
Peak:m/z	Relative Intensity
52.77793	0.7
53.97838	0.7
54.45529	0.6
61.93433	0.7
69.53461	1.9
69.53873	5.3
79.05482	1.2
79.68189	0.8
81.07044	0.9
83.04974	0.9
87.95994	0.7
91.05429	0.7
93.07034	1.2
116.45612	0.7
131.60963	0.8
165.09024	0.8
326.67221	0.7
338.19376	0.9
459.21878	1.1
563.51794	0.7
568.09985	0.7
592.26831	1.7
635.41260	100.0
636.30261	1.1
636.41455	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	634.467
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	5.3
55.01857	7.3
55.05507	28.0
57.07041	4.3
60.11035	3.1
63.58848	2.8
67.05139	3.8
67.05495	47.3
69.03413	6.7
69.07069	16.0
69.43758	35.7
70.19973	2.8
71.04990	4.1
79.05487	32.0
81.03400	9.1
81.06618	3.2
81.07050	62.4
83.04966	6.1
83.08618	19.0
85.06543	3.8
91.05482	42.0
92.05772	4.0
93.07031	36.8
95.04962	30.3
95.08595	22.9
97.06519	6.1
97.10165	5.8
105.07018	43.7
107.04932	13.7
107.08581	25.3
107.86508	3.0
109.06498	16.8
109.10140	15.1
111.08018	4.5
117.06987	14.0
119.08559	35.1
121.06483	6.7
121.10135	16.8
123.08045	7.6
125.09559	4.6
129.06969	4.5
131.08517	21.8
133.10132	26.1
135.08047	5.2
135.11636	17.0
137.09650	6.6
143.08580	7.4
145.10115	23.8
147.07971	4.3
147.11653	16.9
149.09589	16.9
149.13193	5.7
151.11139	5.4
155.08556	4.2
157.10062	5.6
159.08096	3.9
159.11667	12.4
161.13251	6.0
163.11157	18.4
165.12753	7.3
169.10033	3.6
171.11613	4.7
173.09592	4.5
173.13330	7.2
175.14946	3.1
177.12720	5.1
193.12166	5.6
200.86810	3.1
223.13196	11.3
239.17976	8.1
247.20590	4.5
257.18994	13.4
275.20041	100.0
293.21057	32.0
307.22617	26.5
523.01379	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	634.4674
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	3.5
55.01865	3.9
55.05506	8.5
55.43151	2.1
56.47271	1.9
57.07070	2.1
59.04964	1.5
59.98887	1.5
60.04574	1.6
66.13709	1.5
67.05503	26.5
69.03408	2.8
69.07069	12.0
71.04559	4.9
71.04989	10.1
72.02725	1.9
74.15341	1.6
79.05490	24.2
81.03407	8.2
81.07053	56.2
83.04972	3.1
83.08604	9.1
85.06510	2.3
89.73695	1.8
91.05477	21.1
93.07021	18.0
95.04964	7.2
95.08605	19.6
97.06538	6.0
97.10145	2.2
99.04415	2.3
99.08113	3.1
105.07021	18.4
107.04952	8.6
107.08611	13.8
109.06528	20.2
109.10181	9.3
111.04412	10.3
111.08091	3.9
117.07008	6.3
119.08566	15.8
121.06461	4.9
121.10146	12.0
123.08058	6.3
123.11651	2.0
129.06996	4.7
131.08560	12.3
133.06517	2.1
133.10132	15.6
135.08061	4.6
135.11717	4.9
137.09631	2.1
141.06978	2.0
143.08504	2.7
145.10191	9.8
147.08055	3.7
147.11639	10.9
149.09622	8.3
149.13283	4.3
151.11234	3.1
157.10104	2.9
159.11691	10.1
161.13278	3.7
163.11179	6.8
165.12729	4.9
171.11691	3.6
173.09604	2.4
173.13329	5.5
193.12212	2.2
229.19522	5.2
239.17918	4.8
247.20702	3.1
257.19040	7.1
275.20050	100.0
293.21072	27.0
299.21188	1.8
307.22687	21.4
317.38336	2.1
479.17282	2.2
531.38934	3.1
549.38965	7.2
567.40326	5.0
585.41150	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	634.4671
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03915	4.3
55.01867	5.4
55.05502	17.1
57.03430	5.3
67.05499	36.7
69.07052	10.9
74.82690	3.4
79.05492	36.9
81.03426	4.1
81.07046	94.0
83.04962	6.9
83.08588	13.0
91.05470	34.2
92.90757	3.4
93.07030	25.6
94.87897	3.3
95.04954	14.2
95.08595	30.6
97.06526	8.8
99.08091	4.1
105.07026	34.8
107.04945	13.2
107.08589	22.4
109.06522	36.5
109.10137	12.0
111.07994	4.8
117.07014	9.5
119.08562	34.5
121.06478	8.5
121.10119	14.8
123.08039	8.9
123.11695	9.5
125.37252	3.4
129.06953	7.1
131.08580	12.6
133.10112	22.8
135.08047	5.1
135.11755	5.2
137.09578	6.6
145.10118	10.9
147.08061	4.0
147.11652	19.5
148.80829	4.0
149.09605	11.1
159.11679	12.6
163.11162	10.2
165.12714	4.3
173.13231	7.5
193.12152	5.1
229.19508	6.1
257.18985	6.9
275.20032	100.0
275.23007	5.5
293.21057	14.7
307.22638	36.2
346.26898	4.1
634.43451	15.4
635.41071	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	634.2998
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53011	0.7
53.03927	0.9
54.20301	0.8
55.01860	3.6
55.05503	8.2
55.14103	0.7
55.64614	0.8
56.05034	1.4
57.07098	0.9
58.99573	8.3
67.05505	7.6
68.05024	0.9
69.03426	1.0
69.07040	2.1
70.02952	1.4
70.06592	3.8
71.04977	0.8
71.08630	5.9
71.32755	1.8
72.08130	1.0
73.01141	0.8
74.00660	2.3
76.01787	1.8
76.02218	29.0
76.03998	2.5
79.05486	6.0
80.05007	2.1
81.03398	1.6
81.07049	7.0
81.33440	0.7
81.95203	0.7
82.06570	1.7
83.04961	3.3
83.06083	3.5
83.08612	6.2
84.04491	12.3
84.08128	0.7
85.02889	1.4
86.00619	1.9
86.09691	1.6
86.99047	2.8
88.02191	1.7
91.05461	5.8
93.07040	6.9
94.06561	1.8
95.04958	2.2
95.08595	4.9
96.04520	0.9
97.01105	2.6
97.06513	1.2
97.10145	5.2
99.02650	0.9
99.05564	1.2
99.08096	3.9
100.02200	1.4
105.07009	3.2
105.94532	0.9
107.04929	2.0
107.08578	5.6
108.04450	0.9
109.06516	1.1
109.07629	1.0
109.10152	3.4
111.02647	3.2
111.04440	1.5
111.08064	2.4
112.02153	4.2
112.03928	0.7
113.00575	3.8
114.03773	1.1
115.02123	1.4
116.01665	15.0
117.07000	2.3
118.11473	0.8
118.58563	0.8
119.08549	3.0
120.08082	1.4
121.10136	2.2
123.02658	1.5
123.04412	0.9
123.08051	1.7
124.02135	2.1
125.00550	0.9
125.09608	5.3
126.03722	5.3
126.19518	0.9
128.05269	0.8
129.06622	3.3
129.10248	1.0
130.04951	4.3
131.04492	0.9
131.08551	2.5
133.10150	2.6
135.02661	1.5
135.08084	1.1
135.11719	3.9
136.03969	0.9
136.07480	0.8
137.04160	1.7
137.05994	2.2
137.09613	0.8
138.03743	1.7
139.02119	2.4
139.03253	1.2
140.01669	1.2
141.04782	1.3
142.03210	4.0
143.02730	1.0
144.01128	6.9
145.06035	1.9
145.10117	1.9
147.07950	1.4
149.09619	1.0
151.07523	0.9
151.11185	1.0
152.05338	1.3
153.12756	4.8
154.06902	0.8
157.10220	1.0
158.20587	1.0
160.11275	0.8
161.09598	2.3
162.02196	14.1
163.11183	2.7
165.07266	1.1
167.10754	1.4
170.02689	2.3
171.08347	1.7
173.09584	0.8
177.03329	3.2
178.12234	1.0
179.04828	15.8
179.08829	1.2
179.10652	1.2
181.06113	2.3
181.12143	1.7
185.03777	3.1
187.05396	3.2
189.03299	1.1
189.11201	2.3
191.10771	1.0
193.06816	1.1
193.12163	5.4
194.09975	6.9
195.08435	2.6
196.11542	7.0
197.09961	0.9
215.04860	1.5
222.09459	1.7
224.10995	2.1
225.09402	1.9
227.12798	3.4
230.12048	1.5
231.04277	7.8
233.05913	9.4
236.11014	2.3
238.12611	1.7
240.10556	4.7
241.11394	0.8
242.12076	2.5
251.10948	0.9
254.12047	4.4
256.13840	1.7
263.20078	1.7
266.12015	3.7
266.15509	0.7
268.13730	1.3
273.18405	1.0
277.15958	0.8
284.13110	2.7
291.19559	8.3
299.14246	1.6
305.15695	2.1
308.09076	7.1
309.20654	5.5
311.14255	6.2
321.18646	0.9
323.13663	0.7
323.16821	8.2
345.14832	1.4
348.19833	11.8
349.18274	3.5
357.14706	15.9
366.20956	23.1
367.19357	10.3
369.14658	3.0
384.21970	6.3
394.20511	2.5
402.22897	1.1
451.22626	3.1
452.21158	1.4
469.23669	26.4
487.24701	100.0
488.24948	2.1
541.25745	1.3
544.99677	0.9
559.26837	10.2
598.27380	1.8
616.29016	2.2
634.29907	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	633.3985
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	3.4
55.01861	4.0
55.05505	18.7
57.03422	6.2
57.07050	3.2
58.69803	1.3
59.04993	3.0
65.03916	5.4
67.05498	100.0
69.03423	38.2
69.07069	14.5
71.04963	5.1
71.73434	2.7
73.02890	1.8
79.05023	2.0
79.05483	32.3
81.03416	23.0
81.07049	45.1
83.04966	8.3
83.08614	13.0
85.02869	4.9
85.06514	2.4
87.04449	2.2
91.04922	2.5
91.05471	35.1
93.07043	36.2
95.04953	11.8
95.08601	32.6
97.02873	4.5
97.06519	3.6
97.10153	4.5
99.04437	2.4
103.05473	1.8
105.07016	23.6
107.04930	4.2
107.07346	2.2
107.08592	22.6
109.02849	2.8
109.06513	11.5
109.10148	55.4
111.04419	5.5
111.08059	4.2
113.06030	2.1
115.05402	1.5
117.06997	13.9
119.08571	25.8
121.06496	3.7
121.10139	15.2
123.04435	2.6
123.08038	3.6
123.11697	2.6
125.09602	7.8
127.03888	3.9
128.06212	1.8
129.05385	2.3
129.06966	8.8
131.08551	17.9
133.06465	2.9
133.10127	13.8
134.09683	2.5
135.08046	4.1
135.10414	6.8
135.11668	8.8
136.10861	1.8
137.09581	5.8
139.11115	2.3
141.07021	2.1
142.07758	2.2
143.08569	10.8
144.09315	2.4
145.06409	2.6
145.10100	17.1
147.08014	2.2
147.11682	9.3
149.09592	3.9
149.13255	5.7
151.11168	1.8
151.23985	1.4
155.08530	4.9
155.10670	4.1
157.10089	8.1
159.08006	2.9
159.11679	11.8
161.09610	3.3
161.13200	4.2
163.11145	3.3
163.14812	1.8
164.70642	1.6
167.08546	2.5
169.10126	5.1
171.07997	1.7
171.11679	6.4
173.09589	2.1
173.11708	12.8
173.13263	3.9
175.11133	2.8
175.14763	2.1
178.15871	5.3
179.10648	2.3
179.16269	2.0
180.17494	3.2
181.10118	2.2
183.11708	4.5
185.09567	2.2
185.13217	4.2
187.11235	2.7
187.14781	3.8
189.11275	1.9
189.12804	1.9
190.54993	1.4
191.10609	1.7
195.11694	3.3
196.16933	3.2
197.13232	3.7
199.11218	2.6
199.14828	1.7
201.12613	2.2
209.13235	3.9
215.14098	1.8
223.18811	2.5
225.12698	1.7
225.16318	1.6
227.12605	2.4
229.14326	15.7
233.13081	1.7
233.15337	1.8
240.19537	3.7
241.19629	2.7
259.20453	3.3
261.22174	2.7
273.21915	1.8
276.13663	3.2
277.13806	1.9
289.21613	1.7
291.23447	1.5
301.21539	7.0
315.22958	1.5
319.22574	2.4
320.16180	2.5
321.16406	2.0
327.23096	2.9
340.45718	1.5
341.24631	2.6
345.24335	1.9
351.23154	4.0
353.24796	2.0
355.17700	2.7
357.24377	2.8
369.24063	10.6
375.25464	2.7
387.25189	5.5
405.26169	2.0
443.27887	3.7
461.29001	4.8
489.35550	2.8
526.29816	1.4
589.40302	6.1
597.37579	4.3
615.38971	7.3
633.40015	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	633.398
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	6.8
53.72335	2.5
55.01864	4.8
55.05503	26.4
57.03423	7.2
57.92107	2.0
59.04984	5.0
65.03929	5.1
67.05137	5.2
67.05494	100.0
69.03420	37.8
69.07066	14.2
69.55191	13.6
69.55605	9.0
71.04970	6.0
79.05478	37.7
81.03407	23.0
81.06609	3.4
81.07045	45.9
81.88741	2.2
83.04965	10.4
83.08616	14.3
85.02846	2.7
85.06516	2.9
91.05458	37.5
93.07033	38.1
95.04945	18.0
95.08596	39.8
97.02871	3.1
97.10152	9.2
99.04383	3.6
103.05428	3.0
104.81844	2.1
105.03438	2.5
105.07016	36.2
107.08575	30.8
108.37566	2.5
109.02856	7.1
109.06480	7.6
109.10138	60.6
111.04422	6.6
111.08079	4.7
111.41677	2.3
115.05417	3.9
117.07002	17.5
119.08558	25.6
121.06479	4.1
121.10132	16.9
123.04510	2.9
123.08033	3.2
123.11698	3.3
125.09595	6.5
127.03867	3.6
128.06186	4.6
129.06963	10.8
131.08549	19.6
133.06432	4.1
133.10101	19.5
135.08040	4.9
135.11705	8.5
137.09567	7.2
137.37543	2.5
141.06921	4.0
143.08542	11.0
145.10092	15.3
147.11630	11.6
149.13229	4.2
153.06865	2.5
155.08475	3.4
155.10587	2.7
157.10114	9.3
159.07916	2.9
159.11665	9.3
161.09576	3.1
161.13246	5.7
163.11198	4.4
169.10133	4.8
171.11668	5.0
173.09593	2.7
173.11691	16.1
173.13252	7.9
175.11086	3.1
183.11652	5.0
185.13271	5.7
187.11143	5.8
187.14767	3.5
189.11230	3.3
189.12766	3.9
197.13191	4.5
199.14787	5.0
227.12656	4.1
229.14267	16.3
261.22046	2.9
273.22095	3.1
278.35434	2.6
299.14865	2.8
301.21570	7.3
315.22910	2.9
327.23099	2.8
339.82504	3.0
341.24902	3.2
351.23236	10.1
369.24182	10.9
377.18042	2.5
387.25266	5.0
443.27478	4.3
461.28903	7.0
597.37769	7.2
615.38782	8.9
627.90228	3.5
633.39960	48.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.121
Annotation	Unknow
Peak:m/z	Relative Intensity
57.17932	2.1
71.72443	2.8
87.60092	2.2
119.01936	3.1
131.56862	2.0
133.03464	6.7
147.04474	3.3
151.04579	3.7
161.02942	2.7
166.37296	2.3
173.03008	2.5
175.04498	3.8
186.91612	3.0
201.06116	3.4
211.04402	3.5
217.05496	3.3
245.05020	5.6
295.08850	5.2
329.93405	2.3
429.04974	2.8
441.12744	2.5
471.09048	2.5
476.86221	2.6
495.08167	2.8
513.08813	10.1
525.09637	3.2
531.07990	2.4
543.10431	4.5
597.11914	10.4
615.12732	49.2
633.12579	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	632.2843
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	0.4
53.03939	1.0
55.01868	3.8
55.05507	7.8
56.05020	1.2
57.03429	1.0
57.98779	0.5
58.99579	9.4
59.04980	0.5
61.48149	0.4
65.03915	0.9
67.05499	8.2
69.03419	1.3
69.07063	8.9
69.60539	0.7
69.60948	3.1
69.70929	0.5
70.02957	0.9
70.06577	1.3
71.04998	1.1
74.00649	2.7
76.02221	28.6
76.03995	1.9
79.05486	9.3
80.05003	2.7
81.03413	2.3
81.07048	16.0
82.06570	1.7
83.04985	3.8
83.06090	3.1
83.08611	5.3
84.04493	11.4
85.01126	0.7
85.02881	0.5
85.04009	1.1
85.06515	0.5
85.25090	0.5
86.00639	1.8
86.99044	3.5
88.02201	1.4
91.05477	6.1
93.07034	7.0
94.06564	1.3
95.04956	3.4
95.08592	5.9
96.04484	0.6
97.01113	2.7
97.02885	0.9
97.06524	2.2
97.10159	5.8
98.00651	1.1
98.29140	0.5
99.01410	0.9
99.05544	1.1
99.08086	0.6
100.02210	1.1
102.03759	0.9
102.05542	0.6
102.88174	0.5
105.07016	5.7
107.04921	2.3
107.06078	0.6
107.08570	6.5
108.04483	0.6
108.08099	0.6
109.02880	0.7
109.06509	2.8
109.07640	1.3
109.10151	3.9
110.06049	0.9
111.02658	1.6
111.04408	1.7
111.08078	1.7
112.02172	4.4
112.03949	0.8
113.00580	2.4
113.02930	0.8
114.03746	2.0
115.05447	0.8
116.01670	14.2
117.07005	2.6
118.06493	0.5
119.08581	4.5
120.08134	0.7
121.06517	1.7
121.10138	2.2
123.01401	0.9
123.02649	1.1
123.04410	1.3
123.08056	3.1
124.02163	5.7
125.04139	0.7
125.09621	4.3
126.03723	4.1
127.02114	1.0
128.06190	0.8
129.06514	2.8
130.04985	6.3
131.04575	1.0
131.08545	2.6
132.07961	0.6
133.06499	1.2
133.10089	3.0
135.02660	1.4
135.08061	2.8
135.11668	2.8
136.02158	1.3
136.11153	0.5
137.04236	1.0
137.09601	1.2
138.03717	1.4
139.02136	1.0
139.03217	1.0
139.05745	0.6
140.01671	1.6
140.05257	0.7
141.04803	1.5
142.03197	5.1
142.07765	0.7
143.08563	2.1
144.01135	5.3
145.06062	3.0
145.10114	2.1
147.07976	1.4
147.11722	0.6
149.02914	0.4
149.04192	0.9
149.06024	0.5
149.09645	1.4
151.02077	0.5
151.05768	1.4
151.11136	0.6
152.01677	1.2
152.05321	1.1
153.06522	1.2
153.09163	0.6
153.12704	2.9
154.06898	0.6
155.08199	1.0
157.10139	1.1
159.08069	1.4
159.11710	0.8
161.04143	0.5
161.09644	2.8
162.02197	12.3
162.03558	0.9
162.12698	0.6
163.02106	0.6
163.05753	0.9
163.07500	0.7
163.11177	1.9
165.07359	1.0
165.09128	0.8
169.06752	0.9
170.02740	2.0
170.11816	0.8
171.07866	0.7
171.10260	0.7
173.09546	1.0
175.05766	0.9
175.11261	0.9
177.03291	3.1
177.07361	1.4
177.09044	0.6
178.12309	0.4
179.04840	13.4
179.10684	0.6
181.06131	1.4
181.12154	0.5
185.03815	3.7
185.09648	0.6
187.05336	3.7
188.03712	0.6
188.10635	0.7
189.03329	1.2
189.07346	0.9
189.09135	0.6
189.11234	1.8
191.08936	0.5
191.10704	0.8
192.08429	2.8
193.06816	2.6
193.12245	1.8
194.09995	3.3
195.08449	0.9
196.11551	0.6
199.07210	1.3
201.07462	0.6
204.32062	0.5
208.11459	0.7
208.13286	0.6
209.06381	0.5
209.11731	0.7
211.07391	0.5
212.11081	0.7
215.04901	1.5
217.06667	0.7
218.08014	0.5
219.08400	1.0
222.09500	1.4
223.07872	0.9
224.10945	2.6
225.09529	0.8
227.12718	3.0
231.04353	5.0
233.05901	7.4
236.11031	1.9
238.12602	1.6
240.10541	4.5
241.11324	1.5
242.12059	2.4
245.05954	1.3
247.07843	0.6
248.11128	1.0
251.07503	0.7
254.11945	4.0
254.14282	0.6
256.13647	1.2
257.07669	0.5
261.18524	1.2
264.10373	0.6
266.12137	3.2
268.13675	0.5
271.16971	1.4
275.14536	0.5
278.12100	3.3
282.11578	0.6
283.92355	0.5
284.13113	1.8
288.06775	0.5
288.19632	0.5
289.17917	8.4
291.06631	0.6
291.19720	0.7
293.15451	0.7
294.11673	0.5
296.13495	0.5
297.12650	1.3
299.14059	0.5
303.14093	1.5
305.72812	0.5
307.19080	4.8
308.09103	6.6
311.14203	4.6
312.12573	0.7
319.17371	0.6
321.15170	10.7
323.14041	0.8
329.15552	0.8
343.13284	0.9
344.13818	0.5
345.14728	1.5
346.18353	8.5
347.16638	4.3
351.13501	0.6
357.14728	10.0
364.19388	24.3
365.17731	6.2
369.14743	3.4
374.17911	1.2
382.20456	8.6
383.19073	0.7
387.15802	1.3
392.18787	2.2
400.21481	1.2
412.19247	0.6
421.21698	0.8
439.22684	1.3
449.20975	3.8
467.22076	26.5
479.83844	0.5
485.23132	100.0
486.23419	2.0
521.23029	1.8
533.22992	1.0
557.25311	9.8
596.26825	2.7
614.27155	1.8
632.28259	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	630.3268
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43306	0.6
53.43515	0.5
55.05487	0.7
57.07068	7.4
57.18860	0.5
58.06603	2.8
61.59297	0.6
65.03927	1.1
66.36000	0.5
68.57294	0.6
70.06585	22.1
71.08633	1.5
71.75589	0.7
72.08137	0.9
83.08604	0.6
83.30077	0.6
84.08173	0.8
85.10171	1.4
87.81133	0.6
88.07621	23.2
96.47868	0.6
102.08499	0.8
102.09173	16.2
131.05084	0.7
134.00482	0.6
139.03900	0.7
147.04398	0.7
149.02327	42.2
175.03911	1.4
177.05478	1.1
193.04956	54.2
194.05304	0.8
219.06479	1.5
225.05374	0.7
228.23213	54.7
229.23604	2.0
237.07555	15.0
237.09807	0.8
264.07269	0.6
269.04413	1.7
272.25879	2.4
281.63150	0.7
297.03870	3.3
313.07178	2.0
341.06516	11.3
359.07596	6.5
379.41293	0.6
385.09167	23.0
429.11801	31.4
430.12219	1.0
587.95599	0.6
612.31677	1.6
630.32684	100.0
631.32935	6.7
639.32855	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	630.4781
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00311	0.6
55.05510	2.1
55.44471	0.7
57.07070	73.3
58.07385	0.6
59.04713	1.2
59.04996	16.6
67.05515	1.3
68.65345	0.6
69.07064	1.9
69.47305	0.5
69.82588	4.8
71.08625	64.3
72.08959	0.6
73.06546	3.7
74.30061	0.6
78.51649	0.6
79.05477	0.8
80.80696	0.5
81.07070	1.3
83.08607	2.5
85.10174	62.5
87.04459	10.8
89.06023	100.0
91.05486	0.6
91.07633	1.1
95.08598	0.6
97.10231	0.7
99.11722	6.4
103.07574	6.6
107.07069	4.4
107.08527	0.8
117.00014	0.6
117.09132	3.9
120.90565	0.6
130.08632	3.0
131.07013	5.1
131.10713	0.6
133.08592	76.0
133.87076	0.6
134.08972	0.7
141.16391	5.5
145.10014	0.7
151.49907	0.6
161.11774	0.7
175.09634	4.0
177.11209	30.2
185.19061	0.9
199.20543	6.6
218.80940	0.6
219.12273	1.4
221.13818	5.3
223.15390	0.6
228.15872	0.6
239.14917	1.5
243.23160	4.0
265.16516	1.1
279.95425	0.6
283.17587	2.1
291.19647	2.0
309.19031	0.9
327.20218	2.0
338.50845	0.7
371.22818	2.8
397.24484	1.1
415.25363	10.4
455.28360	1.6
613.44910	1.6
630.47382	3.2
644.21338	0.8
647.05249	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	630.3147
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	3.0
53.29099	1.5
55.01869	16.3
55.05507	21.7
56.46037	1.5
57.03429	4.5
57.07058	4.2
61.02926	1.9
67.05497	23.9
69.03425	4.4
69.07051	12.9
70.06580	4.2
71.04965	2.8
71.08630	14.3
73.02909	1.9
79.05486	17.8
81.03413	4.5
81.06599	3.3
81.07047	33.9
83.04969	5.8
83.08607	17.0
85.02898	4.0
85.06525	3.3
85.10165	8.9
91.04959	2.6
91.05466	14.9
93.07034	21.8
95.04964	9.1
95.08591	19.8
97.02849	1.5
97.06510	8.0
97.10162	4.3
99.04456	2.3
99.08080	11.0
105.07016	14.8
107.04979	2.9
107.08588	9.3
109.02882	5.6
109.06519	5.7
109.10186	7.8
111.04430	2.3
111.08075	25.7
113.09631	9.9
117.66631	1.4
119.08575	9.3
121.06448	1.5
121.10133	10.2
121.10854	1.9
123.08057	3.8
123.11681	5.2
125.09629	2.8
127.03844	2.4
129.06999	3.0
131.08542	5.0
133.10123	12.7
135.11674	6.8
137.09596	3.5
139.11174	3.6
143.08527	3.4
145.10086	4.4
147.11667	15.2
149.09615	4.1
149.13235	6.4
151.11203	9.7
153.12740	3.2
157.10054	3.4
159.11618	3.5
161.13246	6.6
163.11169	5.0
165.12727	20.2
171.11700	3.3
175.11224	2.3
175.14818	2.1
179.14296	9.1
181.43103	1.8
185.13358	2.0
193.12213	1.9
216.77008	1.5
231.20959	3.3
241.19362	3.2
245.73288	1.8
248.64435	1.7
249.22107	3.8
259.20569	4.9
261.25101	1.5
277.21597	75.0
278.21884	2.7
295.22638	33.3
343.98187	1.5
350.92755	1.5
351.25275	100.0
352.25626	5.3
369.26315	86.0
370.26682	6.5
577.26587	9.0
595.27869	16.0
631.91077	2.0
655.91583	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	630.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02371	0.2
53.03716	0.2
53.03939	2.3
55.01867	1.7
56.05009	0.2
57.03431	1.8
60.46309	0.3
61.02921	2.2
64.24952	0.2
68.99780	2.2
69.03423	9.3
69.07111	0.2
70.06583	1.2
70.16664	1.0
71.01326	0.4
71.04964	1.0
73.02904	1.7
77.03929	0.2
79.05477	1.0
80.04977	0.3
81.03409	11.2
83.01333	0.3
84.04482	0.8
84.08106	0.3
85.02898	11.5
86.09660	0.6
87.00819	6.4
87.04440	0.5
87.10008	0.2
91.03929	0.4
91.05466	1.8
96.04478	0.4
97.02877	5.2
98.06006	0.7
98.21409	0.3
99.04440	2.5
103.03935	3.3
103.05447	4.3
105.01855	2.3
105.03348	0.4
106.05898	0.3
106.06547	4.2
107.04929	1.1
108.04446	0.3
109.02866	11.6
110.07139	0.3
112.03935	0.3
115.03929	0.6
116.04943	0.3
117.01806	1.0
117.05720	0.5
117.06963	0.4
118.00957	0.2
118.05740	0.3
118.06530	3.5
120.08053	0.5
123.21367	0.2
124.03957	0.5
125.02272	0.2
126.05492	1.1
127.03902	7.6
129.01813	2.5
129.10225	0.4
130.06511	13.1
132.04491	0.5
132.08070	1.4
134.05997	9.7
142.06497	0.6
143.07283	0.5
144.04449	0.2
144.06509	0.5
144.08064	3.0
145.04959	1.6
145.06023	0.3
146.05983	1.6
147.02890	1.1
148.07523	0.4
152.07083	0.3
154.06499	0.4
158.05994	100.0
159.02863	3.0
159.06354	1.0
160.07593	1.3
162.05464	0.3
167.07048	0.3
168.08099	0.4
170.06030	0.4
171.02838	0.5
172.07553	3.6
176.07050	16.0
186.05486	0.3
186.09135	0.5
187.05954	0.3
188.07030	2.7
189.03957	0.8
196.07524	0.7
197.08423	0.2
200.07040	4.3
213.03937	0.4
214.08514	1.1
218.08141	1.0
224.07034	0.6
230.06514	0.6
231.04929	0.6
242.08122	1.7
260.09134	0.9
278.10291	0.4
284.09131	0.4
296.11273	1.4
302.10278	0.7
320.11261	0.6
338.12274	2.8
340.29639	0.2
346.09097	1.0
364.10263	3.7
365.10898	0.3
382.11292	53.1
383.11615	1.0
424.12167	0.7
544.16595	1.8
586.17657	0.7
612.15442	0.5
630.16620	8.7
631.16608	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	630.1653
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03722	0.4
53.03938	3.3
55.01865	2.1
57.03409	1.8
58.02733	0.4
59.94030	0.4
60.38643	0.3
61.02917	2.8
68.99772	1.7
69.03424	10.3
70.01884	0.7
70.02943	1.2
70.28433	1.7
70.28799	0.8
71.01324	0.4
71.04961	1.1
73.02915	2.4
79.05475	1.2
81.03409	11.6
85.02895	12.0
87.00819	6.0
91.03922	0.5
91.05489	2.0
97.02886	5.3
99.04455	2.2
103.03945	3.2
103.05457	4.1
105.01849	2.8
106.06527	3.9
107.04961	1.3
109.02162	0.7
109.02870	10.5
116.04976	0.7
117.01823	0.7
118.06522	4.0
126.05473	0.9
127.03011	0.7
127.03899	8.0
129.01845	2.4
130.06514	12.5
132.04509	0.5
132.08090	0.9
134.06007	9.7
142.06488	0.4
143.07260	0.5
144.08090	3.2
145.04962	1.8
146.05992	1.7
147.02832	1.2
158.05997	100.0
159.02908	2.7
159.06528	0.9
160.07582	1.5
171.02882	0.5
172.07567	3.5
176.07054	19.0
186.05411	0.5
186.09102	0.4
187.05885	0.6
188.07062	2.3
189.03958	1.0
196.07596	0.5
199.07513	0.5
200.07027	3.7
213.03925	0.5
214.08722	0.8
218.08162	0.5
230.06516	0.6
240.45694	0.4
242.08163	2.3
260.09195	0.9
296.11304	1.9
302.10251	0.5
328.08020	0.4
338.12256	2.9
346.09204	1.1
355.80356	0.4
364.10187	4.2
382.11298	66.7
383.11761	0.5
424.12314	1.0
544.16443	2.7
586.17474	0.9
612.15472	0.7
630.16699	11.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.4773
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	7.7
53.26661	5.9
55.01870	5.6
55.05507	25.1
57.03432	10.9
57.07064	13.6
59.05004	4.9
65.65710	5.5
65.66028	4.7
67.05499	91.2
69.07053	32.9
70.25051	26.5
71.04978	5.9
71.08624	80.1
79.05483	73.7
81.03404	4.9
81.07053	87.5
83.04967	10.0
83.08604	19.0
91.05473	45.1
93.07038	79.8
95.04955	16.7
95.08601	79.8
97.06494	11.0
97.10159	14.7
98.20741	6.1
99.08081	43.7
105.07022	49.8
107.04936	7.4
107.08582	47.1
109.06511	6.1
109.10149	27.0
117.06995	27.7
119.08555	40.2
121.10118	35.6
123.08086	11.8
123.11716	9.5
129.06990	10.8
131.08548	27.3
133.10109	24.1
135.11676	34.7
137.09598	5.5
141.08980	7.3
143.08571	12.1
145.10094	21.4
147.11684	20.0
149.09535	6.3
149.13249	15.0
151.11206	17.8
155.08478	6.4
157.10164	10.4
159.11679	15.4
161.13261	17.7
171.11708	8.9
173.13281	7.3
175.14766	8.2
179.14307	45.5
187.14835	6.3
197.13332	5.8
238.31224	5.3
241.19440	6.3
243.21048	16.5
261.22110	16.4
277.21558	43.2
291.61465	6.7
313.25821	4.7
317.24600	7.4
335.25769	45.1
351.25244	45.3
389.30896	7.1
513.39026	15.6
515.37195	14.2
529.38727	6.6
531.40442	10.2
537.42651	10.6
611.46692	100.0
629.47974	39.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.4772
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.8
55.01867	4.3
55.05512	15.0
57.03423	2.6
57.07074	8.4
65.03928	2.4
66.09931	1.6
67.05503	42.1
68.05792	1.9
69.07069	16.6
71.08619	17.2
71.73660	2.1
79.05488	23.8
81.03395	2.1
81.07051	45.9
83.04979	2.4
83.08617	10.5
85.06534	3.2
85.10171	3.9
89.06006	8.0
91.05470	23.4
93.07035	28.0
95.04957	5.7
95.08601	32.1
97.06512	3.4
97.10171	5.2
99.08084	13.6
99.58783	1.7
105.07038	21.4
105.18096	1.9
107.08575	15.0
109.06511	4.3
109.10159	14.4
111.08086	3.8
111.11690	2.1
113.09639	6.4
117.07014	7.3
119.08567	21.0
121.10137	13.4
123.08047	3.3
123.11685	7.0
125.09583	3.5
125.80917	1.7
129.07001	7.1
131.08566	18.3
133.08606	6.2
133.10107	11.5
135.08032	1.9
135.11676	8.9
137.13272	2.8
139.11188	3.5
141.07030	2.1
142.07738	2.0
143.08582	7.4
145.10109	13.6
147.11667	9.3
149.09587	2.7
149.13274	6.3
151.11194	3.9
151.14804	2.2
155.08540	3.2
157.10098	7.3
159.11652	10.3
161.13260	7.6
163.11166	2.6
163.14758	3.9
165.12746	3.2
167.08589	2.2
169.10159	3.1
171.11681	6.2
173.11896	3.8
173.13292	9.1
175.14813	5.7
177.11209	2.8
177.12666	2.0
177.16339	2.0
179.14420	1.6
183.11732	4.0
185.13287	6.3
187.13297	2.3
187.14827	6.0
189.11198	2.0
189.16481	2.2
197.13316	3.6
199.14885	3.2
201.16457	4.5
211.14787	2.7
213.16418	3.1
215.17888	2.1
227.12851	2.8
229.19540	3.1
243.21173	3.9
245.22516	2.3
255.21005	2.5
261.22141	5.8
265.21649	6.3
273.18320	2.3
273.22086	5.2
275.20007	4.3
275.23645	2.0
276.20416	2.0
277.21616	9.2
289.21451	2.9
291.23181	4.5
303.23056	2.7
317.24826	3.1
329.24719	2.1
331.26566	1.9
335.25778	5.4
339.26199	1.8
347.25845	2.7
349.23581	2.4
351.25320	4.6
367.29706	2.2
383.32852	4.7
385.30643	2.1
393.31210	2.8
398.69806	1.8
423.32590	5.3
425.34271	3.9
439.35941	3.8
443.35184	2.9
457.37143	2.6
471.37833	1.9
497.36081	2.8
499.37747	4.0
503.37512	3.9
513.39325	7.4
515.37329	45.7
516.37836	2.2
517.38647	5.5
519.41980	7.8
529.39038	13.3
531.40186	3.6
537.43182	11.2
543.40125	6.3
555.44281	10.8
593.45435	3.9
601.48157	2.4
611.46680	74.4
612.47113	3.8
629.48279	100.0
630.47467	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	629.1836
Annotation	Unknow
Peak:m/z	Relative Intensity
60.57965	0.8
69.55445	6.9
70.06580	5.9
72.08130	2.0
73.40722	0.8
77.80457	0.7
81.03416	1.8
84.04523	1.4
84.08108	2.0
85.02898	0.9
85.93184	0.8
86.09695	3.3
89.06041	2.4
91.05496	1.2
94.04185	1.1
98.21481	1.5
101.91862	0.7
103.05444	1.4
105.07026	1.4
110.07201	1.1
120.08105	1.2
121.33253	0.8
122.03677	1.5
129.10213	1.3
131.04907	2.0
133.06496	1.6
137.05965	17.5
137.07001	1.3
138.06390	1.0
160.83945	0.7
161.05981	3.2
163.07549	2.3
167.07010	1.3
168.43614	0.8
169.02713	0.8
175.07527	1.4
177.09116	1.0
183.01433	0.8
184.05011	3.8
187.07484	1.0
199.07579	2.0
219.08136	0.8
231.08025	1.6
245.06387	3.9
245.09158	0.9
247.07660	1.3
250.06688	0.8
251.10716	0.9
259.07574	1.1
263.10272	0.8
271.04306	2.5
277.08569	1.5
285.11411	1.2
289.05304	9.4
291.10037	1.6
297.11224	1.6
309.11371	1.0
311.12656	1.1
345.10907	4.7
363.11835	1.1
381.13177	3.3
425.46765	0.8
428.64291	1.0
467.94006	1.0
525.16791	3.1
543.18127	8.3
567.18347	24.2
585.19391	51.7
599.17255	2.0
611.17261	51.4
612.17145	1.1
629.18317	100.0
630.18866	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.2236
Annotation	Chlorophyllide b
Peak:m/z	Relative Intensity
70.73466	1.4
80.52125	0.4
137.50052	0.4
193.64873	0.4
262.68268	0.4
395.11600	0.5
396.12271	1.5
397.12888	2.7
398.13846	1.6
399.14554	1.2
400.15228	0.6
409.12924	1.2
410.13684	4.0
411.14474	7.5
412.15277	6.1
413.15964	5.1
414.16861	0.5
423.14978	2.0
424.10767	1.0
424.16159	3.0
425.16293	15.8
426.16895	11.4
427.17630	2.8
428.18402	4.0
429.19580	0.6
437.16403	0.8
438.12305	3.9
439.13556	21.7
440.13464	0.9
440.18997	9.2
441.19250	43.1
442.19565	3.2
451.13306	0.6
452.14465	4.4
453.15369	26.0
454.15833	6.3
455.20758	1.2
456.17902	2.1
457.14581	0.7
463.13815	0.7
465.15616	0.6
466.16547	0.7
467.17120	29.3
468.17877	20.3
468.24677	0.8
469.18839	10.8
470.19183	0.7
471.16614	1.6
472.17667	0.8
479.16913	0.5
480.17105	0.6
481.14615	11.0
482.14716	2.3
483.16354	0.9
484.21783	3.5
485.17160	1.8
486.18384	0.9
494.17902	0.6
495.16739	2.0
496.17151	10.7
497.17340	1.9
498.18961	1.2
499.19662	1.6
500.20587	4.1
508.19138	0.7
509.18179	0.7
512.21240	2.4
513.21924	4.8
514.22498	1.1
522.17767	0.5
523.20007	1.8
526.18042	0.9
528.19958	1.4
537.18292	0.7
541.20801	48.8
542.21155	2.7
553.21063	0.7
554.18127	0.8
569.20233	100.0
570.20502	5.6
572.19257	0.8
573.23077	3.7
597.19720	31.3
598.20184	1.9
600.22156	1.8
601.22833	15.7
602.23328	0.7
611.21643	0.6
615.20709	1.5
629.22253	70.0
630.22394	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	628.499
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	3.9
57.07073	92.3
59.04716	3.5
59.04996	52.7
59.05299	3.1
60.77985	1.7
67.05499	6.5
69.07061	8.0
71.08628	100.0
71.09023	4.9
71.74725	2.2
79.05484	5.6
81.07042	7.7
83.08626	4.4
85.10179	89.5
87.04490	4.0
89.06023	27.0
91.05476	4.1
91.82613	1.9
93.07036	7.2
94.07326	2.4
95.08603	4.9
97.06505	2.8
99.11738	10.7
101.06008	2.8
101.09659	2.9
103.07604	2.3
105.07028	4.5
105.99747	2.2
107.08582	3.0
111.11757	2.4
117.09124	18.0
119.08545	4.1
131.08644	2.2
133.08598	17.8
133.10085	3.2
141.16351	9.8
143.08582	2.5
177.11267	4.7
199.20575	22.8
205.08681	2.2
216.38882	1.9
239.14943	8.7
246.17589	2.1
257.24753	29.3
274.90176	2.1
297.19031	6.6
308.68860	1.9
352.35464	2.5
363.20993	2.2
376.66858	2.1
610.45734	3.8
611.46619	2.9
628.42871	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	628.3172
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	0.6
55.05505	2.6
57.03428	4.7
57.07058	0.6
61.02926	4.7
65.03920	0.9
67.05142	0.8
67.05499	17.3
69.03410	1.6
69.07059	4.8
69.63947	1.3
69.64371	2.7
70.06578	1.6
71.04980	1.7
71.06911	0.5
72.08158	0.7
73.02906	2.1
75.83945	0.5
78.04177	0.5
79.05485	7.6
81.03408	1.4
81.07048	19.8
83.04976	2.2
83.08617	4.5
84.04482	0.7
84.08105	0.5
85.02892	6.4
85.06532	1.5
91.03947	5.6
91.05478	4.3
93.07040	15.7
95.04951	1.8
95.08606	5.8
97.02889	3.0
97.06539	3.2
97.10116	0.6
98.21384	0.9
99.04427	0.7
99.08083	1.2
105.07024	2.7
107.08587	9.0
109.06516	1.0
109.10136	1.4
111.08052	2.6
112.11226	0.5
116.53731	0.4
117.07005	1.7
119.08561	1.0
119.41094	0.4
121.06504	0.7
121.10130	6.7
125.09624	0.5
127.03915	2.2
129.06963	0.5
130.04988	0.6
131.04810	0.6
131.08569	3.1
133.10127	2.9
135.11652	3.1
137.05887	0.7
139.11192	0.9
145.04950	2.0
145.06482	0.5
147.11685	0.8
149.13252	14.5
159.11690	7.0
161.06018	0.7
163.05969	2.7
163.63013	0.4
165.05334	0.5
165.12682	0.6
167.07033	1.9
168.07373	0.7
177.12724	4.5
179.14284	1.1
181.04916	1.1
195.13791	5.5
231.02882	0.4
269.17462	100.0
270.17838	1.6
287.18323	0.8
321.91513	0.5
351.13336	0.7
381.22504	0.6
431.22873	1.1
433.14655	0.5
464.48657	0.5
468.69504	0.5
512.58612	0.5
569.21332	1.2
570.27325	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	628.2806
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.2
55.01857	2.8
55.05499	7.1
57.03429	4.4
57.07080	1.3
60.08161	3.3
61.02916	1.4
62.14363	0.9
67.05499	13.2
69.03426	6.1
69.07056	6.7
69.99956	6.0
70.06584	2.5
71.04991	4.6
71.07370	2.0
71.63515	0.9
72.08138	1.8
73.02903	1.5
79.05492	10.8
81.03418	13.7
81.07048	59.0
83.04975	3.9
83.08605	6.9
84.08140	1.1
85.02892	17.6
85.06533	2.3
86.09702	15.6
87.00832	5.1
91.05473	7.2
93.07034	8.8
95.04943	1.6
95.08596	18.6
97.02866	5.2
97.06529	2.9
99.04462	5.7
99.08085	1.0
102.03724	1.7
104.10737	10.7
105.01847	5.4
105.07027	22.6
107.08584	10.9
109.02871	12.2
109.06523	3.7
109.10156	1.3
119.08591	12.9
121.10131	19.9
123.08092	2.4
123.11696	100.0
124.12053	1.4
124.99999	10.1
127.03909	10.0
127.07574	2.2
128.34489	1.0
137.05960	1.0
137.13269	7.9
139.11108	1.0
141.09065	1.2
141.12740	4.1
145.04968	3.5
147.11679	53.7
159.02902	2.9
165.12740	79.5
166.13103	0.9
183.13791	42.7
184.07338	40.4
231.05026	2.4
327.17993	6.0
345.19055	33.5
363.20013	1.9
408.92349	1.3
493.58279	1.0
493.99078	1.1
502.91360	1.0
610.26306	2.7
628.26367	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	628.2806
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.2
55.01857	2.8
55.05499	7.1
57.03429	4.4
57.07080	1.3
60.08161	3.3
61.02916	1.4
62.14363	0.9
67.05499	13.2
69.03426	6.1
69.07056	6.7
69.99956	6.0
70.06584	2.5
71.04991	4.6
71.07370	2.0
71.63515	0.9
72.08138	1.8
73.02903	1.5
79.05492	10.8
81.03418	13.7
81.07048	59.0
83.04975	3.9
83.08605	6.9
84.08140	1.1
85.02892	17.6
85.06533	2.3
86.09702	15.6
87.00832	5.1
91.05473	7.2
93.07034	8.8
95.04943	1.6
95.08596	18.6
97.02866	5.2
97.06529	2.9
99.04462	5.7
99.08085	1.0
102.03724	1.7
104.10737	10.7
105.01847	5.4
105.07027	22.6
107.08584	10.9
109.02871	12.2
109.06523	3.7
109.10156	1.3
119.08591	12.9
121.10131	19.9
123.08092	2.4
123.11696	100.0
124.12053	1.4
124.99999	10.1
127.03909	10.0
127.07574	2.2
128.34489	1.0
137.05960	1.0
137.13269	7.9
139.11108	1.0
141.09065	1.2
141.12740	4.1
145.04968	3.5
147.11679	53.7
159.02902	2.9
165.12740	79.5
166.13103	0.9
183.13791	42.7
184.07338	40.4
231.05026	2.4
327.17993	6.0
345.19055	33.5
363.20013	1.9
408.92349	1.3
493.58279	1.0
493.99078	1.1
502.91360	1.0
610.26306	2.7
628.26367	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	628.2591
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.9
55.01861	2.2
55.05514	2.0
56.05014	1.8
59.82296	1.6
60.48454	1.6
67.05475	1.8
69.03409	8.0
70.06258	2.1
70.06588	21.7
71.75315	2.7
72.08138	6.9
73.02892	2.2
79.05508	2.1
81.03399	6.9
81.07038	4.9
84.04485	3.7
84.08128	7.6
85.02887	18.2
86.09690	10.8
87.00803	7.5
91.05475	4.3
91.40604	1.7
94.04165	2.2
95.04955	3.3
97.02874	7.7
99.04425	4.7
100.11275	2.1
103.05447	7.4
105.01855	7.5
105.07004	4.7
108.76230	2.1
109.02869	6.5
110.07122	2.9
111.04449	2.0
119.04978	2.0
120.08074	5.8
121.06522	2.8
122.03618	5.9
123.11583	2.1
124.81734	1.8
127.03920	11.1
129.10240	4.3
131.04919	10.8
133.06499	14.9
135.08018	5.8
136.07574	2.3
137.05966	100.0
139.55011	1.8
143.08562	2.8
145.04947	5.8
145.06477	4.5
147.08008	1.7
147.11681	2.1
149.05989	3.0
151.07510	7.1
159.02852	3.8
161.05980	3.2
163.07538	30.1
165.12692	3.3
174.06836	2.0
175.07568	5.1
177.86644	1.7
187.07510	2.8
189.09085	4.2
201.08987	2.2
203.10632	5.1
231.05023	2.9
295.13174	16.8
299.30066	1.8
327.15872	32.7
345.18832	1.9
351.15860	5.2
369.16849	4.2
435.17719	3.2
470.97302	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.4657
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01849	10.8
55.05506	21.2
57.03434	5.4
57.06793	5.0
57.07072	100.0
59.04998	33.7
67.05499	49.4
69.07064	19.4
71.08257	5.0
71.08628	97.1
71.76495	4.6
73.37032	4.3
79.05487	44.2
81.07050	55.3
83.04977	5.1
83.08608	13.9
85.09678	4.7
85.10174	82.2
87.04452	15.6
89.06024	100.0
91.05470	31.9
93.07033	38.7
95.04953	6.5
95.08595	34.9
97.06502	13.2
97.10143	9.8
99.11696	12.2
105.07026	25.4
107.04936	8.0
107.07083	5.8
107.08581	25.5
109.06522	5.3
109.10165	22.4
117.06956	9.4
117.09145	4.9
119.08577	25.7
121.10162	17.1
123.11702	6.6
125.09586	3.7
129.07011	7.2
129.90727	3.5
131.07045	5.4
131.08530	16.3
133.08595	54.6
133.10089	20.8
135.11676	12.6
137.09666	3.8
141.16374	4.6
143.08469	6.6
145.10071	16.0
147.11682	10.8
149.09569	4.9
149.13286	8.0
157.10103	6.2
159.11697	12.8
161.13223	7.7
163.11211	4.8
163.14795	3.7
169.10039	4.6
171.11705	5.3
173.13240	6.7
177.11192	15.6
177.12622	3.4
187.14961	4.0
189.11188	3.4
199.20578	7.3
212.13249	3.2
215.18018	3.3
219.17212	3.3
227.07065	3.2
227.12721	5.6
251.25429	3.4
257.18781	4.4
261.22009	4.2
275.20047	32.8
335.22247	3.6
335.25787	18.3
349.23773	16.5
371.22702	4.2
529.38879	4.8
535.41376	7.3
545.18036	3.9
553.42426	4.9
609.44879	27.2
627.27930	4.1
627.46497	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	627.4638
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23059	3.4
53.03928	8.0
55.01859	14.6
55.05507	33.3
57.03420	6.7
57.07072	95.3
59.04994	30.6
64.48416	3.2
65.03939	5.3
67.05498	90.8
68.38972	4.1
69.07064	30.7
71.04984	6.4
71.08248	6.7
71.08626	100.0
71.49635	8.6
79.05486	63.0
80.48083	3.8
81.03429	4.9
81.07051	86.1
82.79527	3.6
83.04957	11.8
83.08596	22.8
85.10171	85.6
87.04449	11.6
89.06025	97.3
91.05466	47.4
93.06499	6.2
93.07041	67.9
95.04979	19.7
95.08595	61.2
97.06506	24.4
97.10152	11.7
99.11713	9.1
103.84348	3.6
105.07018	45.3
107.04937	12.3
107.08582	46.5
109.06509	9.9
109.10162	26.3
111.08050	6.2
117.06985	19.1
117.09106	6.3
119.08584	34.8
121.06505	3.9
121.10136	39.8
123.08067	5.1
123.11685	11.6
124.98822	4.0
125.09604	5.8
127.76384	3.4
129.06963	6.0
131.07028	5.5
131.08553	27.0
133.08592	63.3
133.10114	36.9
135.08096	6.9
135.11668	16.8
141.06990	4.5
141.16322	6.6
142.07846	4.8
143.08531	9.2
145.10115	30.6
147.11685	26.7
149.09583	23.1
149.13248	8.8
157.10098	11.0
159.11684	20.1
161.13292	10.8
163.11198	11.1
165.12743	5.9
169.10164	8.9
171.11691	4.7
173.13232	11.2
177.11195	12.5
177.12674	3.8
183.11653	6.2
185.13278	6.6
197.13261	6.8
199.14742	4.2
199.20485	6.1
207.72302	3.6
213.16284	4.2
227.12787	4.8
247.20682	5.1
257.18930	10.2
259.20514	3.7
261.22107	5.6
275.20041	55.9
277.21603	7.1
293.21155	10.0
335.25760	27.6
349.23581	24.7
432.34195	3.8
515.36371	5.4
517.40283	4.5
609.44788	33.4
627.28870	4.6
627.46149	62.4
628.46014	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	627.4227
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03916	0.7
54.90072	0.6
55.01864	1.5
55.05511	2.6
57.03438	0.7
57.07068	1.0
59.96101	0.5
67.05499	7.6
69.07047	2.4
70.58499	1.8
70.58879	0.6
71.08607	1.0
75.49504	0.6
79.05486	4.8
81.07056	7.7
83.04971	0.8
83.08609	1.8
85.06505	0.7
89.06007	0.7
91.05478	4.5
93.07037	5.5
95.04988	1.0
95.08601	6.1
97.06529	1.9
97.10202	1.0
105.07037	3.8
107.04940	0.8
107.08576	3.5
109.10148	2.1
110.46265	0.5
110.96421	0.5
117.07008	1.3
119.08554	4.1
121.10144	2.2
123.11686	0.9
125.09638	0.7
126.19930	0.5
129.07030	0.8
131.08556	2.2
133.08624	0.7
133.10098	3.3
135.11679	2.0
141.06972	0.6
143.08574	0.8
145.10117	2.2
147.11702	1.6
149.09645	1.0
155.08598	0.6
157.10141	1.5
159.11690	1.7
161.13223	0.8
163.11163	1.0
169.10117	0.7
171.11765	0.9
173.13258	1.0
177.12614	0.5
179.14284	0.9
187.14690	0.6
194.03288	0.6
215.59351	0.7
226.81990	0.7
227.92723	0.6
232.21489	0.5
257.18921	1.0
261.22089	0.8
275.20078	3.3
277.21683	2.0
293.21115	1.6
307.52383	0.6
333.20297	0.9
335.25711	1.9
349.23669	0.8
395.19562	0.5
522.29736	0.7
522.85382	0.7
529.34418	0.8
535.41199	0.6
552.78424	0.6
552.89026	0.5
595.25842	1.2
609.45459	3.7
627.42175	100.0
628.42572	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	627.4657
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.8
53.08128	2.8
55.01858	7.1
55.05508	23.5
57.03425	4.3
57.06802	4.9
57.07074	92.3
59.04767	2.8
59.05002	29.9
67.05502	51.0
69.07058	17.5
69.90627	19.0
71.08252	6.0
71.08630	98.5
79.05487	37.2
81.07047	51.6
83.04964	4.1
83.08623	14.9
85.06541	3.0
85.09680	4.5
85.10179	87.3
87.04457	11.5
89.06028	100.0
91.05476	28.8
93.07043	40.4
95.04987	3.7
95.08605	30.8
97.06498	9.6
97.10154	7.4
99.11724	10.6
105.07028	26.9
105.91821	2.9
107.04957	4.9
107.07063	3.4
107.08572	21.2
109.06503	4.7
109.10133	12.3
111.11724	3.0
117.06966	8.3
117.09145	5.0
119.08556	19.6
121.10127	12.9
123.11712	6.8
129.06963	4.7
131.07016	4.1
131.08563	17.0
133.08604	54.0
133.10141	12.2
135.11667	11.4
137.09583	3.6
141.16386	4.9
143.08569	5.9
145.10100	16.2
147.11678	12.1
147.38139	2.9
149.09602	9.3
149.13280	4.3
157.10161	5.3
159.11671	7.2
163.11276	3.6
169.10109	6.0
169.83131	3.4
171.11699	4.7
173.13261	4.1
174.83705	2.8
177.11235	18.8
183.11624	3.7
185.13254	5.0
187.14714	3.9
199.20515	7.5
257.18954	4.7
257.24698	3.3
261.22079	3.6
275.20029	25.0
293.21027	3.6
335.25809	15.9
349.23724	12.5
371.22559	6.1
406.12451	3.1
515.37073	4.2
529.38324	3.4
609.45117	15.4
627.46100	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	627.3929
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35462	0.3
56.96403	10.0
56.96721	8.9
67.05376	0.6
70.06779	1.7
71.95074	1.5
71.95514	0.7
72.95875	0.6
72.96262	0.6
74.97425	1.1
74.97890	0.6
79.05342	0.5
81.06916	0.4
84.95818	1.1
91.05310	0.6
92.98523	0.4
93.06874	0.7
93.07376	0.3
93.70219	0.3
95.08437	0.5
97.96667	0.8
97.99000	0.4
98.97367	0.8
98.97944	0.4
105.06898	0.4
107.08426	0.4
110.97373	2.1
115.97582	1.1
116.98463	0.6
117.06811	0.4
121.09940	0.4
123.01004	0.7
127.00531	0.4
128.98373	6.8
128.99408	0.6
130.99948	0.4
131.33578	0.3
133.98698	0.7
134.99487	0.5
137.02528	0.6
141.02060	0.4
142.99940	0.7
146.99413	9.9
147.00681	0.9
147.03104	0.3
149.01056	0.3
152.00040	0.7
155.03560	1.1
161.01154	2.2
161.04732	0.6
165.00693	2.7
169.05261	0.6
170.01071	0.6
171.03101	0.9
172.51320	0.3
175.02583	0.7
177.05524	0.4
179.02074	1.0
179.03502	0.3
179.05830	0.3
179.18317	0.3
185.04671	0.6
185.13060	0.3
189.04346	2.3
190.04944	0.6
193.03680	0.4
193.07176	0.4
201.04164	0.4
203.05844	1.8
204.06700	0.4
208.06044	0.6
211.06314	0.3
217.07314	0.6
223.08284	0.4
227.09399	0.9
231.08844	0.4
234.15318	0.3
235.09868	0.3
237.09904	0.4
239.09315	0.4
241.07361	0.4
241.11090	2.0
243.09038	0.5
245.10512	0.7
252.10242	1.9
254.08025	0.3
255.12428	0.5
259.12097	2.2
263.07208	0.4
263.09506	4.0
264.10165	0.7
264.12646	0.4
265.11041	0.8
270.11292	0.8
273.13916	0.3
277.10992	0.9
281.10596	1.6
282.11340	0.4
283.12231	0.3
285.11160	0.3
286.10898	0.4
289.11038	0.5
291.12607	0.4
303.12671	2.2
313.14795	0.9
315.16257	42.8
316.16772	0.6
317.14386	0.5
321.13638	0.6
331.15771	2.3
333.17334	100.0
334.17627	1.8
349.16611	0.4
351.18399	48.5
352.18777	0.8
354.17621	0.6
356.18921	21.6
357.19220	0.5
369.19357	1.6
374.19992	11.3
397.21774	0.9
495.24573	0.5
549.61200	0.4
567.26587	0.9
591.37543	1.6
609.38751	0.5
627.27692	2.1
627.45398	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.3344
Annotation	Leucasperoside B
Peak:m/z	Relative Intensity
50.20948	1.0
53.74546	1.0
66.18200	1.0
69.67188	5.9
69.67599	2.6
72.52574	1.0
81.07092	1.1
91.70854	1.1
127.90406	1.3
130.38390	1.3
148.30905	1.1
148.77553	1.0
148.78847	1.1
156.40634	1.4
203.05254	4.6
407.74167	1.2
435.57938	1.2
447.27182	29.1
465.28201	16.0
627.33466	100.0
628.33698	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	627.1546
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73727	2.0
53.00161	2.3
54.80058	2.0
55.01855	5.0
57.03427	6.8
57.67690	2.1
59.83235	2.4
61.02940	3.2
67.05499	3.3
67.96799	2.1
68.02494	1.9
68.99775	3.4
69.03413	9.3
70.06587	9.9
71.04985	4.0
71.72816	3.0
75.97184	2.2
81.03400	10.4
81.07037	2.6
84.08147	3.8
85.02905	29.4
86.09690	3.3
88.03997	3.2
93.03408	5.1
97.02885	8.4
103.03952	6.1
103.05495	2.9
107.04953	6.4
109.02869	8.7
111.04441	4.8
114.06490	2.2
120.08086	2.9
121.02853	4.2
121.40767	2.0
123.04426	5.8
127.03954	3.6
131.04919	3.5
133.02850	5.0
135.04414	7.7
137.02332	58.5
137.03339	3.1
144.45520	2.2
147.04390	5.0
151.03879	10.0
153.01848	18.4
156.10170	3.9
159.04445	2.9
161.02335	5.0
163.03899	6.5
169.06358	2.4
171.04425	2.5
173.02367	2.3
175.03871	4.6
177.01860	3.7
179.03387	6.4
181.01338	4.7
183.02811	5.6
187.03825	3.5
189.01796	10.8
191.03387	10.8
195.02885	9.4
197.04366	3.6
197.06079	2.8
199.02245	7.1
199.03975	4.7
201.05472	3.2
203.03427	14.0
205.04988	5.0
207.02809	16.2
211.02298	4.3
213.05545	2.9
215.03403	3.8
217.04953	6.7
219.02942	6.8
221.04451	7.7
227.06976	3.8
229.04948	9.2
231.02939	4.8
233.04492	6.9
245.04483	4.2
247.06192	2.5
249.03838	4.3
251.07008	3.0
253.04881	5.4
255.06566	5.0
257.04257	3.3
261.04016	2.7
265.05249	6.1
267.06625	4.7
271.06012	4.9
273.03867	3.9
279.06485	4.4
281.04388	11.9
282.04816	2.6
282.10611	2.5
283.06073	7.6
284.06693	2.8
285.04016	7.1
293.04346	9.1
294.05228	2.9
295.06201	11.2
295.09091	2.7
297.03903	3.4
297.07385	4.0
298.04584	3.4
299.05511	15.7
300.06375	4.4
302.04202	15.9
303.05075	11.4
307.05997	8.8
309.03854	8.7
309.07584	7.2
310.04721	4.3
311.05450	39.4
312.06100	5.5
313.03665	4.9
313.06873	17.1
314.04004	3.9
315.04950	71.6
316.05746	11.4
321.04034	2.9
322.04709	2.7
323.05432	23.7
324.06219	4.5
325.03598	3.9
325.06967	14.9
326.04218	16.9
327.04959	69.3
328.05670	8.7
329.06580	14.9
333.07462	5.9
335.05444	5.9
336.06219	2.9
337.07095	18.5
339.04993	54.3
340.05692	14.3
341.06470	42.9
345.06033	91.6
349.06909	6.3
351.04865	12.0
351.08667	5.9
353.06540	36.3
354.07394	4.9
355.08087	14.8
357.06039	93.1
358.06549	3.0
361.06985	3.1
363.04785	3.6
363.08667	4.1
364.05579	4.3
365.06528	23.0
367.04202	3.3
367.08292	12.9
368.05066	3.8
369.06030	100.0
370.06427	4.9
377.06509	10.3
379.08231	14.1
381.06015	35.6
382.06760	3.4
383.07651	30.1
387.07230	28.1
389.06631	7.8
391.07910	2.9
393.05820	26.6
394.06851	3.1
395.07648	15.1
397.09106	7.2
399.07095	20.6
403.08151	2.6
405.05869	8.0
407.07727	14.8
411.07056	71.7
412.07480	4.3
417.05948	6.6
419.07446	5.9
423.07040	29.7
425.08728	6.2
429.08014	19.2
435.06982	26.0
437.08215	3.9
441.08127	47.1
447.09198	33.8
449.08316	4.9
453.08160	24.1
459.09106	40.7
465.10309	42.2
471.09201	46.4
472.09979	3.0
473.10352	4.5
477.08215	10.0
489.10266	95.7
495.09103	13.0
501.08066	3.5
507.11127	13.7
513.10278	29.5
519.09265	5.2
525.10284	13.9
531.11133	10.1
537.10266	11.9
543.11182	18.4
552.25055	2.7
555.11316	27.7
561.12225	3.6
573.12402	27.7
591.13513	21.8
609.14136	8.5
627.15588	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	627.1549
Annotation	6,8-Di-C-glucopyranosyltricetin
Peak:m/z	Relative Intensity
55.01868	1.5
57.03419	3.1
61.02893	1.7
65.30542	1.6
70.85648	3.3
70.85989	4.2
73.02916	1.7
81.03408	1.8
85.02897	6.9
93.03387	2.2
95.04978	1.8
97.02866	1.8
103.03947	2.4
105.03479	1.6
107.04955	2.5
109.02885	3.2
111.04469	1.6
111.50705	1.6
118.96610	1.6
121.02889	3.4
123.04412	5.1
133.02863	4.5
135.04404	2.6
137.02368	2.4
139.03896	2.5
150.03160	3.0
150.22562	1.9
151.03874	14.3
153.01804	26.4
161.02368	2.0
163.03943	3.4
165.01863	2.1
171.04530	1.8
175.03896	2.5
177.01880	6.6
179.03394	3.4
181.04848	2.8
189.01851	6.3
190.02557	1.9
191.03462	6.9
195.02948	8.2
201.01810	1.8
201.05511	2.6
203.03333	10.4
205.04959	3.0
207.02884	11.8
215.03304	3.9
217.04987	5.5
218.15068	1.6
219.02914	12.6
221.04309	3.7
225.03914	2.5
227.03606	3.3
229.04935	5.3
231.02875	2.3
233.04524	4.4
239.03679	2.2
243.02917	2.3
245.04382	3.0
247.05940	3.6
255.02876	2.9
257.04553	4.9
261.03949	2.7
267.03006	2.4
285.03961	5.3
295.05865	2.2
300.06204	2.2
303.04959	8.3
311.05499	2.6
313.06967	2.9
315.04880	9.2
326.04214	9.0
327.04977	64.9
328.05661	5.2
329.06567	3.1
335.04980	1.7
339.04993	37.6
339.09006	3.1
340.05652	12.1
341.06500	10.4
345.05881	7.6
351.04968	3.5
352.05682	2.7
353.06537	19.4
354.07196	5.0
355.08258	3.5
357.06030	100.0
358.06375	5.1
363.08401	1.9
365.06500	7.4
366.07205	2.1
367.04333	2.1
367.08200	12.4
368.04886	2.0
369.06036	56.3
377.06491	4.5
379.08051	10.6
381.05997	34.1
382.06592	3.4
383.07632	21.5
387.07104	15.9
393.05774	14.1
395.07516	7.8
397.09238	14.1
399.06900	5.6
405.05981	7.2
407.07626	8.7
411.07068	48.9
419.07410	2.0
421.09317	2.8
423.07053	24.5
425.08731	3.2
429.08212	3.1
433.09161	2.8
435.07040	20.2
441.08151	41.7
447.08154	6.1
449.08395	1.9
453.08185	21.4
454.08545	2.5
459.09186	34.8
465.08459	2.6
471.09286	28.4
477.08789	6.4
489.10251	98.6
490.10504	2.7
495.09045	3.2
507.11417	22.0
513.10297	24.7
519.09351	4.2
519.29535	1.8
525.10260	4.5
531.11353	18.7
537.10205	6.9
543.11292	22.2
555.11304	21.3
561.12268	9.9
573.12360	32.7
574.12256	2.5
591.13464	25.1
609.14368	16.4
627.14374	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	626.244
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36254	0.2
66.04700	0.3
69.03405	0.3
70.06577	2.2
70.43156	0.5
70.43557	0.6
72.08138	0.7
81.03402	0.6
84.08139	0.6
85.02891	0.6
86.09687	0.7
87.00836	0.4
87.93950	0.2
91.05454	0.5
94.04173	0.9
97.02869	0.3
103.04758	0.3
103.05450	4.9
115.98802	0.2
119.04916	0.5
120.08074	0.5
122.03649	2.7
127.03860	0.6
131.04912	14.1
131.44861	0.2
137.05959	100.0
138.06294	0.8
151.07550	0.6
163.07526	12.4
175.07535	0.9
176.07780	0.3
177.09103	0.6
181.08571	9.1
186.38158	0.2
189.09041	0.6
201.09126	0.5
203.70407	0.3
219.10059	2.0
325.14645	0.3
343.15292	0.9
525.11987	0.3
626.22552	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	626.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	1.2
57.03423	0.8
60.04525	1.2
61.02913	0.6
67.05484	0.7
67.74099	0.7
69.03424	3.8
70.06577	5.6
71.75664	0.6
71.76017	0.8
72.07809	0.7
72.08147	6.7
73.02917	1.3
81.03398	4.6
84.04509	0.7
84.08124	1.0
85.02897	9.3
86.09684	2.6
87.00815	3.2
91.05455	4.5
94.04169	1.8
96.14751	0.6
97.02882	3.6
99.04451	1.8
103.05462	6.9
104.62841	0.6
105.01835	2.0
105.06983	0.8
107.04954	1.4
109.02857	5.3
110.07147	1.3
110.11780	0.6
115.05420	3.7
117.06985	1.8
119.08589	5.8
120.08089	1.5
122.03615	2.5
122.73743	0.6
127.03896	8.2
128.06238	1.4
129.06970	3.2
131.04918	14.2
131.08592	0.7
132.05685	5.6
133.06464	0.9
137.05963	72.3
138.06299	1.3
141.07018	1.4
142.19774	0.7
145.04938	2.1
145.06424	1.1
147.08029	7.8
149.05994	0.8
151.03864	1.1
151.07585	0.9
157.06352	0.7
159.02902	1.9
159.07974	0.8
160.05197	3.9
161.05971	2.5
163.07524	37.3
169.06413	1.6
175.07530	100.0
176.07855	1.6
177.71165	0.7
186.06741	1.5
187.07535	2.7
189.09052	2.3
199.07617	0.7
201.09103	4.5
217.08568	6.6
219.10152	1.3
231.05043	1.5
233.09627	0.7
262.45792	0.8
309.11337	0.8
323.12643	0.8
325.14322	19.2
343.15369	14.0
347.12564	0.7
349.14581	0.7
367.15359	2.8
405.11676	0.9
433.16391	1.2
473.03183	0.7
537.17450	1.4
626.22455	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	626.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	1.2
57.03423	0.8
60.04525	1.2
61.02913	0.6
67.05484	0.7
67.74099	0.7
69.03424	3.8
70.06577	5.6
71.75664	0.6
71.76017	0.8
72.07809	0.7
72.08147	6.7
73.02917	1.3
81.03398	4.6
84.04509	0.7
84.08124	1.0
85.02897	9.3
86.09684	2.6
87.00815	3.2
91.05455	4.5
94.04169	1.8
96.14751	0.6
97.02882	3.6
99.04451	1.8
103.05462	6.9
104.62841	0.6
105.01835	2.0
105.06983	0.8
107.04954	1.4
109.02857	5.3
110.07147	1.3
110.11780	0.6
115.05420	3.7
117.06985	1.8
119.08589	5.8
120.08089	1.5
122.03615	2.5
122.73743	0.6
127.03896	8.2
128.06238	1.4
129.06970	3.2
131.04918	14.2
131.08592	0.7
132.05685	5.6
133.06464	0.9
137.05963	72.3
138.06299	1.3
141.07018	1.4
142.19774	0.7
145.04938	2.1
145.06424	1.1
147.08029	7.8
149.05994	0.8
151.03864	1.1
151.07585	0.9
157.06352	0.7
159.02902	1.9
159.07974	0.8
160.05197	3.9
161.05971	2.5
163.07524	37.3
169.06413	1.6
175.07530	100.0
176.07855	1.6
177.71165	0.7
186.06741	1.5
187.07535	2.7
189.09052	2.3
199.07617	0.7
201.09103	4.5
217.08568	6.6
219.10152	1.3
231.05043	1.5
233.09627	0.7
262.45792	0.8
309.11337	0.8
323.12643	0.8
325.14322	19.2
343.15369	14.0
347.12564	0.7
349.14581	0.7
367.15359	2.8
405.11676	0.9
433.16391	1.2
473.03183	0.7
537.17450	1.4
626.22455	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	626.2007
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69800	0.4
53.03938	4.8
55.01855	2.3
55.95570	0.5
56.05024	2.0
57.03426	1.9
58.99577	1.1
59.44897	0.6
61.02911	2.0
68.04982	0.6
69.03423	7.4
70.06570	1.3
70.54978	1.9
71.04989	0.8
71.69647	0.5
73.02898	1.8
73.04033	8.1
74.02441	0.6
74.54318	0.5
78.09769	0.5
79.05484	5.3
80.05006	1.6
81.03407	26.7
82.06567	0.7
83.04949	0.6
84.04496	28.8
84.08081	0.5
85.02895	13.0
86.00670	0.5
86.23349	0.5
86.99043	2.2
87.04453	1.5
88.03985	2.3
91.05472	1.3
95.04976	0.5
96.04482	0.8
97.01113	0.6
97.02876	5.0
98.06043	1.4
99.04446	1.3
102.05542	1.4
105.00072	3.9
105.03376	3.0
106.06539	8.9
107.04946	7.8
108.04470	2.0
109.02887	1.2
110.06026	4.1
111.02602	0.5
111.40564	0.7
112.03988	0.7
113.00570	4.2
114.03785	1.4
115.02126	5.4
116.04963	12.0
118.06514	0.6
119.18055	0.5
120.01191	1.2
122.02689	0.7
126.05531	1.3
127.03913	2.1
130.04982	18.0
130.06494	1.1
132.04497	0.5
132.06828	1.4
133.07605	6.6
134.06001	14.4
136.03949	4.4
136.07530	0.6
139.02109	5.3
140.01657	1.9
140.03455	0.6
142.03207	15.9
142.04933	0.8
143.01620	1.2
144.08081	2.5
145.04939	0.7
145.06528	0.7
145.07596	1.1
147.04494	0.7
149.07094	4.5
150.08000	0.5
151.08640	5.9
152.07057	1.0
154.04973	24.1
154.06264	1.2
156.04791	2.4
156.06686	3.1
156.08005	3.3
157.03175	0.7
157.06149	1.7
157.07620	1.5
164.07076	1.7
170.02711	0.8
171.07703	0.6
171.09135	8.4
172.06230	0.6
172.07512	2.6
185.02641	10.1
185.07129	1.8
186.02151	5.5
188.03746	10.0
199.06973	1.1
199.08647	10.6
199.10313	0.9
200.07069	4.2
202.05307	4.8
202.08694	1.3
207.07684	1.4
208.08315	3.5
217.09721	2.1
218.08168	1.9
222.05815	23.0
227.06262	0.7
227.08148	4.1
228.06610	0.8
232.02658	0.8
235.10811	0.9
245.09198	12.3
246.07605	1.3
250.05380	2.1
262.28351	0.5
263.10236	12.6
268.06357	24.2
281.11337	7.7
306.14664	0.6
313.08554	2.0
313.14017	0.9
314.07098	1.4
331.09674	1.6
337.12668	0.9
341.08038	0.6
350.13553	1.1
356.09610	0.6
368.01395	0.6
419.12576	0.9
425.15601	2.6
429.11264	0.8
443.16550	1.1
446.13733	0.6
464.14847	55.5
465.15451	1.2
591.62701	0.6
620.97125	0.5
626.20081	100.0
627.20648	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.4459
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	7.1
55.01865	31.5
55.05514	26.4
56.31420	2.3
57.03420	10.3
57.07075	4.0
67.05498	66.7
69.03429	4.8
69.07063	82.6
71.04974	4.5
71.08633	3.6
71.21402	5.1
71.21745	3.5
79.05480	41.4
81.03415	8.1
81.06605	4.9
81.07053	63.5
83.04991	6.5
83.08604	11.1
85.06556	6.1
91.05469	54.7
93.07031	45.6
95.01324	3.8
95.04973	12.0
95.08595	44.2
96.36129	3.0
97.06529	46.9
97.07147	2.2
97.10178	5.6
99.08060	3.9
105.07018	62.8
107.04913	12.8
107.08590	30.2
109.05814	2.5
109.06497	6.1
109.10149	15.0
111.08099	4.8
117.07027	23.8
119.08582	44.9
121.06481	3.6
121.10161	17.8
123.08089	6.9
123.11681	5.4
125.09625	5.7
128.06241	5.8
129.06990	22.8
131.08571	43.7
133.10095	37.7
135.08066	5.1
135.11719	9.9
137.09654	3.7
141.06975	7.0
142.07774	5.6
143.08559	23.9
145.06450	4.2
145.10126	38.5
147.11682	28.5
149.09631	9.7
149.13278	8.3
151.11203	3.4
155.08514	15.3
156.68599	2.6
157.10141	24.3
159.11699	29.7
161.09587	4.5
161.13281	18.4
163.11183	5.9
167.08598	7.6
169.10139	20.0
170.74539	2.6
171.07962	3.3
171.11684	27.5
173.13231	18.3
175.14789	6.3
177.12810	3.3
179.14409	3.7
181.10126	10.5
183.11682	15.5
185.13219	20.0
187.14835	6.0
193.10214	4.6
195.11662	14.0
197.13312	10.7
199.11243	3.2
199.14842	10.0
201.16362	3.3
207.11717	3.8
209.13312	10.0
211.14926	7.5
213.16389	5.9
215.18040	3.5
216.10211	2.9
219.11897	3.1
219.17210	3.0
221.13261	5.1
223.14900	5.8
225.16382	6.8
227.18146	3.1
231.17422	3.3
237.16368	4.3
239.18056	5.6
241.19487	14.6
257.19058	9.8
259.20511	21.4
265.19559	3.5
273.18457	4.5
275.20093	37.3
281.19312	2.8
291.19717	4.9
293.21207	4.5
297.22281	5.5
315.23181	4.6
333.24130	16.4
349.23685	27.3
409.30728	3.1
419.33240	5.2
435.32764	10.3
437.34286	18.4
463.32269	2.8
509.36472	3.8
511.37817	13.4
513.35889	8.7
515.38983	8.6
527.37384	8.4
529.38861	9.0
533.39850	14.9
537.52814	4.2
551.40955	9.0
565.24780	4.9
566.25262	2.9
589.25482	2.7
593.23816	3.1
600.47717	3.0
607.43610	59.5
608.43433	3.5
625.27710	18.1
625.44617	100.0
626.26947	4.2
626.44342	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	625.4459
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26128	3.3
53.03934	5.0
55.01867	40.5
55.05513	25.0
57.03421	8.2
57.07056	5.6
59.29958	3.0
64.27161	3.4
67.05501	58.7
69.07063	71.0
71.04948	4.9
71.74136	5.2
79.05488	47.6
81.03387	6.3
81.07047	62.6
83.04973	7.9
83.08594	17.5
85.06526	3.4
91.05476	52.2
93.07041	47.8
95.01316	5.3
95.04958	14.9
95.08603	47.3
97.06523	50.0
97.10142	6.2
105.07018	65.9
106.40727	3.7
107.04927	12.8
107.08589	28.1
109.06507	8.5
109.10126	13.8
111.11714	3.5
116.47053	3.4
117.07012	20.5
119.08567	42.4
121.06493	3.7
121.10148	12.8
123.08089	8.0
123.11648	3.9
125.09636	5.3
128.06183	5.7
129.06975	19.8
131.08566	39.8
133.06427	3.9
133.10136	37.2
135.11678	15.1
137.09538	3.7
141.06929	9.5
142.07794	4.9
143.08586	26.1
145.10100	37.5
147.11694	26.0
149.09567	6.8
149.13234	4.9
151.11259	3.6
155.07318	3.0
155.08534	15.9
157.10107	29.9
159.11638	32.0
161.13248	19.6
163.11183	7.5
169.10106	14.7
171.11613	23.6
173.13248	19.1
175.11153	3.9
175.14804	15.3
179.08514	3.7
181.10123	8.6
183.11604	16.7
185.13219	16.0
187.11125	5.6
187.14832	11.6
193.10190	5.3
195.11630	14.1
197.13281	13.5
199.14738	9.9
201.16235	4.4
209.13261	12.6
211.14682	5.0
215.17963	4.2
223.14819	11.7
237.16290	5.3
239.17960	6.8
241.19485	15.2
257.19055	7.8
259.20590	22.8
275.20020	43.0
313.21475	4.4
315.23099	5.1
333.24402	18.4
349.23727	27.9
372.78723	3.6
419.32834	5.1
420.64548	4.7
435.32510	7.2
437.34308	20.2
501.35403	6.0
511.37497	13.3
513.35596	9.8
515.38855	9.6
527.37061	7.8
529.38922	7.9
533.39789	15.9
551.40442	10.2
555.36414	4.4
569.95068	3.8
607.43652	62.3
625.29309	3.9
625.44757	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.3576
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	2.8
55.05497	9.4
56.27257	2.3
56.89776	2.5
67.05497	24.8
69.07063	11.1
70.10167	15.2
75.47888	2.8
79.05495	19.0
81.03414	4.3
81.07058	24.6
83.08636	2.8
91.05468	24.2
93.07032	23.9
93.91159	2.4
94.96437	2.5
95.04988	4.8
95.08583	13.6
97.06532	3.8
103.06702	2.2
105.07037	24.8
107.08592	11.6
109.10173	4.5
117.07010	11.6
119.08575	14.2
121.10132	5.5
128.41864	2.8
129.06975	9.0
131.08531	22.0
133.10104	12.2
135.08000	2.9
135.11693	8.0
141.06956	2.6
143.08551	8.6
145.10132	14.2
145.44075	2.8
147.08052	3.0
147.11700	4.7
149.09575	3.8
155.08525	3.3
157.10098	4.9
159.11684	5.8
161.09627	3.8
169.10063	4.6
185.13269	4.9
205.78893	2.6
209.13205	4.1
255.47130	2.7
260.92929	2.7
337.10333	2.9
353.24792	6.6
371.25891	13.2
389.26941	15.3
445.29480	100.0
446.29749	3.5
463.30490	22.0
510.54132	2.7
527.37091	3.7
625.26282	7.6
637.83154	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	625.3579
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.5
55.01859	3.1
55.05509	17.0
57.03422	4.2
61.02922	2.7
65.03926	2.8
67.05502	35.2
69.03421	3.5
69.07055	11.9
69.83734	4.0
69.84134	10.1
71.04978	4.1
74.59462	1.9
79.05486	24.7
81.03404	7.3
81.06553	2.1
81.07043	40.0
83.04960	4.6
83.08601	6.1
85.02888	3.7
85.06513	2.2
91.04939	1.9
91.05476	33.1
93.07037	27.1
95.04947	6.6
95.08599	20.1
97.06512	4.8
97.10156	3.6
105.07023	36.4
107.04931	2.4
107.08572	15.5
109.06485	4.2
109.10146	9.7
111.08089	4.0
115.05452	2.4
117.07010	20.8
119.08577	26.4
121.06479	5.1
121.10133	9.6
123.08036	3.6
125.09646	2.5
127.03899	2.6
128.06206	4.3
129.06999	12.4
131.08565	29.2
132.08769	2.0
133.06483	2.1
133.10123	16.8
135.08043	2.9
135.11688	4.8
137.09619	2.2
138.81070	1.8
141.07001	5.0
143.08542	11.6
144.45546	1.7
145.06403	3.0
145.10129	17.4
147.08037	2.4
147.11699	5.8
149.09637	2.3
155.08533	7.8
157.10155	8.1
159.11691	10.1
161.09612	2.5
161.13350	2.1
167.08554	2.9
167.14915	1.6
169.10115	5.0
171.11702	6.9
173.13232	3.6
175.11108	2.0
177.12675	1.9
181.10141	3.4
183.11693	6.3
185.13232	4.5
187.14882	3.2
189.12787	2.7
195.11725	2.4
197.13405	2.6
199.14706	2.4
206.99783	1.9
209.13249	4.4
223.14755	1.9
287.42908	1.9
325.25214	5.9
335.23645	4.5
343.26254	6.6
353.24619	16.9
371.25800	19.5
389.26871	20.1
417.30515	2.9
427.28458	4.3
445.29471	100.0
446.29749	4.3
463.30551	57.3
616.23340	2.2
625.33527	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	625.3578
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.5
55.01849	2.1
55.05513	9.5
57.03419	3.3
61.02919	1.6
64.22407	1.2
67.05499	22.0
69.03416	1.5
69.07063	8.4
71.03954	3.1
71.04333	2.3
71.04993	2.7
79.05493	17.4
81.03400	3.5
81.07050	23.1
81.40990	1.4
83.04986	2.7
83.08611	4.6
85.02892	2.4
85.06526	2.4
91.03936	1.4
91.05466	25.9
93.07033	18.0
95.04963	4.2
95.08603	14.8
97.02869	2.6
97.06523	2.5
105.07021	24.3
107.04938	1.5
107.08570	9.3
109.06513	4.6
109.10168	6.1
113.05952	1.2
117.07005	14.3
119.08577	17.3
121.06499	3.3
121.10168	7.6
123.08025	1.6
125.09617	1.8
126.95120	1.2
128.06198	1.8
129.07005	8.3
131.08542	21.7
133.06415	1.7
133.10120	12.6
135.11670	4.4
141.06995	2.9
142.74481	1.3
143.08592	7.3
145.06523	2.0
145.10104	14.2
147.08015	3.7
147.11696	3.2
149.09633	3.7
155.08543	4.3
157.10106	5.4
159.11661	8.5
161.09557	1.5
165.06976	1.5
167.08508	1.8
168.45642	1.3
169.10115	3.9
171.11639	4.4
173.13219	3.0
181.10106	2.7
183.11664	3.1
185.13229	4.3
187.14844	1.5
197.13316	3.0
199.14917	1.8
209.13295	2.1
210.51711	1.5
211.14746	2.3
213.12668	1.5
215.14310	1.9
217.98244	1.3
225.16275	1.7
229.15915	1.6
232.02664	1.2
325.25244	3.0
335.23749	2.6
343.26279	4.0
348.97937	1.4
353.24771	10.1
371.25751	15.3
389.26843	12.9
445.29471	100.0
446.29678	4.8
463.30435	26.3
607.33868	3.0
625.35547	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.1757
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.3
55.01852	0.8
57.03423	1.4
59.92669	0.3
61.02927	2.4
61.26905	0.4
61.66254	0.4
64.53156	0.4
69.03424	7.5
69.79720	1.9
69.80128	1.1
70.06596	3.4
71.01360	0.4
71.04973	1.2
72.08134	0.7
73.02902	1.5
81.03412	3.3
83.01286	0.6
84.04493	0.8
84.08130	1.5
85.02380	0.8
85.02898	15.9
86.09689	1.4
87.04456	0.6
91.03938	0.7
97.02882	5.3
99.04450	1.0
103.03934	3.2
105.07037	0.5
107.04906	0.7
109.02885	3.0
110.07159	0.5
120.08102	0.9
121.02917	0.5
124.76709	0.4
127.03904	2.9
129.10229	0.6
141.01814	0.7
145.04933	1.3
149.02397	0.7
149.05962	1.2
151.03911	3.0
165.01823	3.6
167.03386	2.3
175.03909	1.1
182.31361	0.4
183.02946	2.8
195.02864	1.7
205.04993	0.5
207.02834	0.5
217.04706	0.7
254.05589	0.6
257.04538	0.7
259.05847	0.6
261.03888	0.7
269.07959	0.4
270.05231	1.2
271.05963	1.7
272.06662	0.4
282.05231	3.6
286.04672	1.0
296.06787	4.3
297.07513	2.6
298.04709	8.6
299.05478	1.4
300.06281	5.2
301.07077	2.9
308.06787	0.5
309.07544	0.9
310.04700	3.5
310.08240	2.0
311.05814	0.5
311.08948	2.4
312.06299	0.5
313.07034	54.9
314.07834	5.6
315.08417	0.5
320.06793	0.6
324.06302	6.3
325.07080	5.1
325.10770	0.9
327.08539	1.5
328.05743	14.0
329.06323	0.6
335.08951	0.5
336.06219	1.4
337.07059	1.4
338.07809	3.8
339.04874	0.6
339.08603	8.3
341.06464	1.1
343.08096	100.0
344.08475	2.8
348.06308	1.0
351.08582	1.1
352.05609	0.5
353.06384	0.4
353.10190	7.3
355.08191	0.6
363.08472	1.7
364.05801	1.3
365.06622	0.6
367.08109	25.6
376.06024	0.7
379.08078	10.7
381.09595	1.6
391.08121	5.2
394.06747	1.2
397.09128	19.5
409.09164	13.3
427.10199	16.6
428.10202	0.5
445.11273	22.1
445.17398	1.1
463.12396	4.8
508.11032	0.5
589.15356	0.6
607.16437	2.9
625.17609	3.0
625.27222	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.3577
Annotation	Caribenolide I
Peak:m/z	Relative Intensity
52.30001	3.5
53.03934	4.6
55.01841	4.4
55.05506	20.4
57.03424	6.9
57.07056	4.2
61.02917	5.3
67.05496	52.5
69.03410	3.1
69.07051	20.0
70.79041	12.7
71.04952	7.8
79.05487	37.3
81.03402	10.1
81.07052	51.3
83.08590	10.1
85.06537	4.4
91.05476	45.8
93.07031	40.2
95.04974	8.6
95.08609	35.2
97.02894	4.2
97.06510	8.3
97.10126	3.4
105.07022	49.3
107.04929	3.8
107.08582	22.4
109.10132	15.0
110.14967	2.9
111.08051	4.9
117.06989	17.7
119.08581	35.3
119.88221	3.1
121.06510	6.8
121.10120	12.4
123.08000	3.5
123.11667	5.0
127.03848	4.0
129.06990	20.9
131.08565	33.8
133.10100	17.7
135.08043	5.2
135.11649	10.3
141.06937	5.7
143.08588	17.9
145.10107	22.5
147.08028	5.1
147.11638	7.2
149.09624	4.6
149.13295	3.8
155.08583	5.3
157.10078	11.4
159.11644	12.5
161.13284	3.7
163.11095	3.8
169.10086	8.5
171.11685	8.3
173.13228	8.0
177.12650	3.4
181.10135	4.9
183.11653	10.6
185.04161	5.1
185.13278	7.4
195.11607	8.5
197.13057	3.7
199.14711	4.1
201.16333	3.7
203.05200	4.1
209.13237	5.6
334.16702	4.0
335.23593	4.7
343.26251	7.7
353.24695	12.4
371.25848	23.1
389.26804	27.8
425.07925	3.5
445.29459	100.0
446.30157	3.6
463.25507	15.6
463.30341	43.2
530.61334	4.0
607.34247	6.1
607.43427	8.0
625.31464	43.9
625.43896	9.5
626.32166	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.1756
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03962	0.5
54.93614	0.4
54.94817	0.3
55.01873	0.7
55.71779	0.4
57.03429	0.9
61.02924	0.8
61.50459	0.4
68.99799	0.4
69.03423	1.9
69.87411	2.4
70.06596	2.1
72.08157	0.6
76.60666	0.4
81.03416	1.3
84.08140	0.5
85.02897	4.4
85.03372	0.5
86.09682	0.6
91.05523	0.5
97.02898	1.9
98.20715	0.7
109.02895	1.4
110.07126	0.5
119.04951	0.7
120.08062	0.5
121.02878	0.9
127.03868	0.5
129.10310	0.7
131.04910	0.4
137.06015	0.8
141.01820	1.1
147.04407	0.7
149.02364	0.5
149.05922	2.1
151.03885	4.2
163.03894	0.7
163.07465	0.4
165.01830	6.6
167.03419	1.4
175.03937	1.3
177.01846	0.5
181.04794	0.4
183.02858	4.1
189.01888	0.5
195.02811	1.9
202.55634	0.4
205.04935	0.8
207.02950	0.5
211.66867	0.4
217.05014	0.8
243.02945	0.9
243.06465	0.7
259.05988	0.7
261.03830	1.2
262.27979	0.3
263.74484	0.4
267.06436	0.9
268.07178	0.7
269.07956	0.6
270.05212	2.1
271.06015	1.7
282.05237	4.5
282.08368	0.5
285.07523	0.7
286.04703	1.8
292.07248	0.9
295.05991	0.6
296.06775	8.3
297.07483	3.5
298.04694	17.6
299.05289	1.2
300.06213	6.3
301.06982	5.7
308.06738	1.3
309.07693	1.2
310.04654	5.5
310.08353	3.9
311.05704	0.6
311.09064	4.8
312.06345	1.2
313.07025	100.0
314.07669	6.8
315.08185	0.6
320.06866	2.1
323.05286	0.6
323.08945	0.5
324.02707	0.5
324.06259	13.5
325.07083	7.5
325.10727	1.5
326.07681	0.4
327.05103	0.6
327.08459	2.3
328.05743	15.1
335.09134	1.3
336.06262	2.0
337.07062	2.2
338.04071	0.7
338.07819	7.4
339.04913	2.1
339.08588	15.5
341.06503	1.2
341.13565	0.4
343.08078	75.8
344.08179	1.7
348.06149	2.7
351.08694	1.9
352.05688	1.4
353.10181	15.7
354.10223	0.4
355.08179	0.6
363.08478	3.1
364.05737	2.7
365.06403	0.9
366.07300	1.8
367.08087	42.4
368.08328	1.1
376.05685	1.7
379.08075	11.8
380.08478	0.6
381.09656	2.6
391.08063	9.8
394.06598	2.5
397.09146	32.8
398.09521	1.1
409.09106	22.5
410.09259	0.9
427.10202	28.1
428.10394	0.8
445.11246	38.5
446.11578	1.0
463.05948	0.6
463.12354	6.8
505.13458	2.0
529.13324	1.0
559.14355	1.2
607.15863	2.2
625.18585	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.1759
Annotation	Unknow
Peak:m/z	Relative Intensity
53.48976	1.3
55.01863	2.0
55.54237	1.3
62.66110	1.5
70.02829	6.1
70.03244	3.4
70.06578	15.3
72.08138	3.7
75.87979	1.5
81.03439	1.8
82.07252	1.4
84.04481	4.0
84.08147	6.5
85.02905	10.1
86.09698	6.3
102.05530	2.3
107.04974	3.7
109.02848	3.5
110.07151	3.0
120.08131	3.8
121.06495	1.8
129.10251	4.0
129.80301	1.5
131.04939	2.2
135.04395	6.7
137.02328	30.2
137.03346	3.1
137.05992	1.5
147.04367	2.1
150.57150	1.5
151.03871	2.7
161.02309	5.4
161.06007	2.8
163.03896	2.2
165.01822	3.7
179.03439	5.7
183.02879	2.4
189.01855	6.5
191.03401	5.7
195.02863	11.8
201.01923	1.7
203.03377	12.6
207.02859	10.9
215.03398	1.5
217.04971	7.4
219.02914	4.8
221.04449	5.6
227.03384	3.5
229.04964	3.5
231.02914	3.0
233.04396	2.2
235.05908	2.1
243.02823	3.2
245.04410	1.8
255.02896	3.9
257.04495	3.6
273.04056	3.1
283.05930	3.7
284.06882	1.9
285.04099	2.2
286.04770	1.6
295.05930	6.2
296.06747	2.2
297.07510	3.5
298.04785	4.8
299.05481	24.3
300.06348	4.2
301.07120	1.6
309.07477	4.4
310.04755	12.4
310.08234	2.7
311.05484	100.0
312.06195	8.6
313.07037	31.5
323.05493	61.7
323.09000	2.2
324.06219	17.3
325.03452	3.9
325.06985	22.0
327.05075	3.7
328.05728	7.1
329.06509	5.3
333.07581	4.3
335.05502	7.0
335.09122	2.0
336.06323	7.4
337.07043	33.9
338.07471	8.5
339.04904	8.9
339.08719	6.4
340.05737	2.4
341.06543	66.5
342.07309	3.7
343.08047	12.5
349.06961	8.5
351.04825	6.8
351.08643	25.1
352.05594	7.4
353.06546	40.0
353.10092	2.3
355.08234	3.9
357.05978	3.5
359.07492	3.1
361.06876	4.3
362.07846	2.7
363.05069	2.7
363.08630	12.4
365.06537	34.3
366.07269	2.4
367.08136	18.1
369.06033	8.6
371.07553	2.7
373.06836	2.5
376.05914	1.9
377.06537	19.7
377.10809	1.9
378.07050	1.9
379.08157	18.3
381.05954	6.7
381.09821	5.7
383.07516	5.4
389.06512	9.5
391.08118	11.5
393.05719	8.5
394.06903	3.8
395.07568	24.8
397.09317	7.6
401.06259	4.2
403.08209	2.2
407.07574	44.7
409.09061	10.2
411.07019	3.5
413.08444	4.3
419.07404	14.3
421.09198	2.4
423.06754	3.3
425.02899	3.0
425.08676	55.8
427.10144	8.5
431.09427	2.9
433.09128	3.0
435.06985	4.7
437.08737	15.6
443.09637	13.6
445.11200	7.5
451.10034	3.2
453.08112	2.7
455.09720	29.1
457.09775	1.7
461.08636	3.9
463.11731	2.4
471.09174	3.2
473.10779	33.7
475.10379	3.1
479.09708	13.7
491.09869	4.3
493.11075	3.2
496.01331	1.8
497.10760	52.6
503.03079	1.8
503.09528	8.3
505.13574	7.2
509.10739	47.5
521.10803	21.4
527.11877	22.1
529.13196	2.5
539.11774	35.0
557.12836	42.1
571.14484	2.0
575.13959	36.1
589.15179	3.0
624.79962	2.7
625.17700	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	624.228
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.2
53.39418	0.9
55.01853	2.2
56.05014	0.9
57.03440	1.2
60.49194	0.8
60.85820	0.8
61.02924	1.3
63.87087	0.8
68.99780	1.3
69.03425	8.4
70.06579	2.5
70.93521	2.6
73.02917	1.6
77.43687	0.9
79.05496	1.1
81.03411	7.1
83.82444	1.0
85.02898	17.0
86.09693	1.9
87.00806	5.7
91.05461	2.9
91.57764	0.8
93.07010	1.3
94.04189	1.6
97.02883	6.5
99.04437	3.4
103.05443	2.2
105.01852	4.6
105.07018	3.6
106.37098	1.1
109.02859	7.4
109.06499	1.9
115.05444	1.4
119.08550	2.6
122.03654	5.0
127.03904	17.7
129.01836	1.2
129.06984	1.5
131.04892	2.6
133.06451	4.1
137.05965	100.0
138.06303	1.7
145.04974	5.5
145.06425	1.8
147.07986	2.7
149.05957	3.1
151.07501	1.2
155.04915	1.1
159.02887	4.9
159.08026	2.7
160.05147	1.2
161.05960	16.1
162.06662	1.5
163.07501	1.7
167.07108	1.4
171.08022	1.2
175.07532	26.4
176.07910	1.0
179.06943	1.3
184.05153	0.8
187.07513	11.1
189.05457	1.2
190.07742	2.8
191.07071	1.1
191.08563	8.4
193.08589	3.1
199.07520	3.7
201.09065	1.1
202.38942	0.9
203.08502	2.0
207.07965	1.0
213.03870	1.1
217.08653	1.0
218.07249	2.6
219.08025	11.7
220.08693	1.2
229.08522	2.2
231.04968	2.6
231.07977	3.0
236.08377	2.1
247.07538	6.3
248.08258	1.9
251.10646	18.3
259.07574	2.3
260.08218	1.8
264.07819	1.9
265.08792	1.2
276.07660	1.2
277.08499	1.6
279.10104	14.9
280.10785	2.1
291.10117	4.4
296.10400	2.4
297.11243	1.0
303.10190	2.0
309.11298	1.6
311.12753	42.6
312.12982	2.9
321.11221	2.6
323.12817	14.6
329.13708	1.4
333.11224	1.2
335.12781	3.0
341.13843	4.4
347.12827	2.1
353.13754	2.0
359.12860	1.1
365.13858	1.0
377.13852	1.1
401.13821	2.5
447.83157	1.1
523.15814	2.2
526.97235	1.0
541.16943	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	624.2284
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	0.6
51.74648	0.6
53.03945	2.2
54.34087	0.6
55.01871	3.9
57.03440	0.9
61.02914	1.7
63.28143	0.5
65.03941	0.9
67.05499	1.4
68.99815	0.9
69.03427	10.0
70.06587	3.7
71.04977	1.4
71.73616	1.0
72.08142	0.9
73.02917	1.8
74.93596	0.6
79.05489	2.1
81.03415	10.7
81.07037	1.4
84.08138	1.1
85.02901	16.3
85.03397	1.0
87.00827	6.1
87.04488	0.6
91.03946	1.1
91.05472	9.0
93.07037	1.2
94.04176	1.6
95.04990	1.5
95.08588	0.7
97.02888	6.2
99.04480	3.3
103.05464	9.6
105.01864	4.1
105.07023	6.0
107.04951	2.5
107.08595	1.0
109.02885	7.2
109.06534	1.8
110.07137	0.7
115.03977	0.9
115.05441	3.8
116.07078	1.4
117.01836	0.8
117.06995	2.8
119.08571	8.0
121.06570	0.7
122.03659	6.9
123.08076	0.9
127.03912	11.3
128.06226	2.6
129.01871	1.3
129.06990	5.4
131.04922	18.7
132.05714	7.2
133.06488	2.4
133.10118	0.9
135.08038	0.9
137.05971	99.9
138.06287	1.2
141.06978	1.8
143.04936	0.7
145.04964	3.4
145.06503	1.5
147.04404	0.7
147.08046	8.8
149.05977	1.9
157.06483	1.9
159.02873	4.0
159.08060	2.1
159.11729	0.8
160.05186	5.2
161.05984	10.4
162.06752	0.6
163.07535	34.9
169.06465	1.6
171.07983	0.7
173.06017	0.9
174.06792	0.7
175.07539	100.0
176.07877	2.0
184.05228	1.3
186.06845	0.6
187.07541	4.7
189.09099	2.7
190.07794	1.0
191.08614	2.8
193.08559	4.3
199.07565	9.3
201.09143	2.9
202.07770	1.7
203.08629	3.9
219.08003	3.9
220.08736	1.4
230.07120	0.9
231.05032	1.1
231.08023	6.0
232.08751	1.9
236.08293	0.9
237.08978	1.2
247.07503	1.7
248.08292	3.8
251.10657	6.6
259.07553	4.4
260.08173	1.8
261.09036	0.9
263.10635	4.3
264.07709	0.8
265.08530	1.3
276.07751	1.3
277.08502	2.7
279.10120	2.7
291.10120	10.4
292.10812	2.8
293.08038	1.0
293.11459	1.0
295.09692	1.1
295.13055	1.3
308.10373	2.0
311.12769	10.8
315.05325	0.7
315.10095	1.0
321.11145	0.6
323.12781	26.3
325.14291	12.5
335.12692	1.5
341.13675	1.6
345.05661	0.8
347.12692	0.9
353.13754	0.7
408.26532	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	624.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	5.5
55.05502	6.1
57.03464	6.0
65.32564	5.2
70.06602	26.1
70.07297	30.4
72.08171	9.0
73.02892	8.1
74.06062	15.6
81.03396	9.6
84.04482	9.5
84.08144	8.2
85.02898	19.7
86.09729	11.4
95.04963	7.6
97.02895	12.2
98.21398	6.3
103.05415	11.2
105.07018	9.3
107.04942	8.5
109.02854	8.6
110.07150	6.9
116.07055	9.2
119.04942	15.4
121.02868	68.6
121.06563	7.4
129.10280	6.6
130.04993	6.5
130.06490	8.8
131.04890	12.5
133.02843	6.0
133.06474	12.6
135.04404	15.5
136.80878	5.0
137.02310	9.8
144.06522	7.3
146.05992	7.6
148.07565	47.5
149.02385	6.2
153.02066	5.5
158.05971	12.2
160.07590	17.7
163.03946	6.1
175.03943	6.5
176.07066	32.1
178.08672	12.3
183.02925	6.4
186.03868	7.4
186.05493	100.0
188.07034	10.6
189.01765	8.3
191.03362	13.4
195.02937	11.4
200.68187	5.5
202.93747	6.5
203.03337	13.4
204.06543	39.4
205.04808	6.4
207.02879	17.2
215.03180	7.1
217.04947	15.3
219.02907	13.0
221.04442	6.8
225.03851	8.7
228.06779	5.6
229.04918	11.2
231.02814	12.4
243.02943	7.1
249.03903	10.4
255.06549	6.0
261.04080	12.7
273.03738	9.1
277.08679	6.3
279.06207	8.0
283.06000	9.8
285.03934	8.9
291.04950	8.6
293.07980	17.2
295.05957	22.2
303.04953	8.4
305.08060	8.7
305.44305	5.7
307.06042	14.6
309.07437	9.8
310.04462	7.4
311.05481	21.6
313.06970	13.2
317.08038	6.3
321.07462	19.5
323.05423	13.9
323.08884	11.4
324.08673	16.8
325.06973	29.1
335.09036	13.3
336.08783	13.5
336.21927	7.2
337.06973	30.4
339.08511	6.8
341.06509	22.2
347.09103	10.6
349.06979	21.6
351.08603	11.6
353.06561	13.5
357.06198	7.7
361.06784	9.7
365.06427	8.9
365.10391	7.3
366.09695	19.1
367.08011	16.6
377.06168	8.6
377.10318	7.8
379.08057	25.6
391.08130	17.5
395.07504	18.9
397.09039	15.2
407.07544	11.7
408.10712	9.2
413.08371	10.0
420.10785	8.7
421.08917	14.7
425.08676	9.5
427.10324	13.2
438.11456	9.8
443.09717	10.8
444.12326	10.4
447.11197	8.1
450.11862	8.0
457.11224	15.3
467.09381	8.2
468.12711	12.1
469.11234	11.8
473.10852	6.5
474.13971	28.3
483.27206	7.4
485.10962	7.4
486.14148	10.0
493.11182	7.3
498.13345	8.9
499.12347	9.5
504.14658	13.3
509.10336	8.0
516.14740	22.6
522.13959	8.6
527.11688	10.4
534.15228	7.7
563.13721	7.0
570.15338	10.2
606.17853	10.0
624.18768	7.0
624.35034	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	623.36
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88409	0.3
55.05455	0.3
56.96494	5.1
59.99908	0.2
67.05443	0.5
69.07002	0.4
69.60865	2.5
71.54199	0.3
71.95177	0.9
72.06995	0.3
74.97486	0.3
77.00838	0.6
77.85950	0.3
79.05428	0.7
81.06962	0.8
91.05375	0.8
98.97493	0.8
107.08480	0.4
110.97517	0.6
116.98540	0.9
117.06958	0.4
128.98596	1.6
131.00047	0.5
131.08441	0.3
143.00072	0.3
143.08478	0.3
146.99632	2.0
147.11514	0.4
149.01100	0.9
153.02138	0.4
157.01645	0.5
161.01163	0.6
165.00656	0.5
167.03664	0.3
169.01674	0.5
169.05307	0.3
171.03180	1.2
171.04694	0.4
175.02724	0.4
179.02245	0.4
181.05243	0.3
183.03180	0.4
185.04877	2.2
187.02679	0.5
189.04272	1.5
197.04964	0.3
199.06372	3.5
203.05907	4.3
205.07437	0.9
207.04997	0.4
210.01837	0.4
211.06454	0.6
217.07468	6.6
219.03119	0.5
219.08899	0.4
222.07826	0.5
223.02751	1.6
223.06396	0.6
223.08437	1.2
224.03577	0.3
225.04149	0.5
225.07846	0.4
226.05231	1.6
226.07063	0.4
229.07423	0.4
231.06969	0.4
235.08308	0.3
237.04352	3.2
237.07843	0.5
238.05064	0.7
239.09433	0.7
240.08913	0.6
241.03702	0.4
243.09193	0.3
244.06097	0.4
249.07925	0.7
251.05736	0.5
252.06544	0.5
253.11037	0.7
255.05307	1.1
255.08914	0.4
257.10104	0.3
259.12167	0.3
260.05972	0.4
262.08716	1.0
263.11310	0.3
267.09082	1.8
271.11914	0.5
277.68146	0.3
279.08875	0.7
280.09656	2.9
281.10519	0.9
285.10001	1.1
289.14676	0.4
291.18060	0.4
293.10590	0.4
297.10059	0.7
298.10815	1.5
299.11581	0.6
303.11493	0.4
305.13892	0.3
307.15924	1.6
309.18762	0.3
313.16351	0.8
325.16760	0.4
331.15628	19.8
333.19067	3.8
349.16788	100.0
350.17175	1.9
356.20547	0.5
367.17865	3.3
372.18414	19.4
373.18884	0.6
430.86047	0.3
605.36359	1.5
623.36169	37.4
624.36285	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.3419
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02392	2.2
53.03937	4.0
55.01865	6.3
55.05508	15.2
57.03424	6.2
61.02921	29.8
64.84514	1.6
67.05495	38.5
69.03426	9.1
69.07061	13.7
70.35431	7.9
71.04996	2.6
73.02906	10.1
79.05483	27.3
81.03406	4.4
81.07049	36.6
83.04952	4.5
83.08599	11.6
85.02895	22.8
85.06557	3.5
91.03949	12.6
91.05467	46.2
93.07030	26.1
95.04952	4.4
95.08585	21.6
97.02865	16.6
97.06510	5.3
97.10162	5.6
98.21474	1.8
103.05470	3.3
105.07027	33.8
107.04951	6.2
107.08589	14.4
109.06498	6.5
109.10175	8.6
111.08056	4.4
115.05434	4.8
117.07003	28.8
119.04877	2.3
119.08557	16.5
121.06499	5.0
121.10133	10.4
123.04430	2.1
123.08096	2.5
125.09644	3.0
127.03914	5.3
128.06209	7.8
129.06979	31.8
131.08553	41.4
133.06485	4.6
133.10097	11.5
135.08038	3.7
135.11658	3.7
137.09605	2.4
141.06952	14.6
142.07813	3.2
143.08549	27.5
145.04974	1.6
145.06471	9.7
145.10114	19.0
147.08061	5.6
147.11679	5.2
149.09625	6.1
153.07010	2.6
155.08539	22.7
157.06465	2.0
157.10097	16.2
159.08078	3.9
159.11658	13.3
161.09610	3.8
163.11148	2.3
165.07036	3.1
167.08495	9.4
169.10106	17.7
171.08087	2.0
171.11685	9.3
173.09627	2.8
173.13298	3.8
175.11139	4.2
177.12781	5.1
178.07680	2.2
179.08559	5.3
181.10068	10.1
183.08064	1.8
183.11685	11.8
185.09610	3.2
185.13205	8.7
187.11185	3.9
187.14723	2.4
189.12782	2.1
193.10133	3.6
195.11670	11.9
197.13226	7.8
199.14824	4.9
201.12816	2.2
205.10153	2.0
207.11659	7.7
209.13275	7.2
211.11246	2.5
211.14816	5.7
213.12694	4.1
215.14334	5.3
217.15973	3.0
219.11705	2.2
221.13239	7.7
223.14815	6.3
225.12816	2.8
227.14362	2.9
229.14149	1.9
235.14819	4.9
239.14244	7.0
241.15941	3.1
253.15845	3.8
255.17451	1.9
257.15396	4.0
259.16949	1.9
269.15347	2.0
271.16934	3.4
285.18500	3.3
289.18253	2.1
305.22513	2.9
323.23611	7.7
333.22073	14.3
341.24637	9.4
351.23132	44.9
369.24210	39.7
377.90561	1.8
387.25214	17.0
415.28497	2.0
425.26807	11.2
443.27911	100.0
444.28146	3.1
461.28958	63.8
462.29269	3.3
568.90417	1.9
605.34192	2.3
623.33685	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	623.3418
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	5.4
55.01867	3.9
55.05505	18.5
57.03431	9.8
61.02921	18.2
65.03928	2.3
67.05496	40.8
69.03428	8.6
69.07059	18.5
70.06581	6.0
71.04982	4.4
71.10162	2.8
71.10481	2.8
72.08134	2.0
73.02898	5.7
79.05486	28.9
81.03416	12.5
81.07052	37.3
83.04964	4.1
83.08617	12.2
84.08147	1.6
84.62569	1.6
85.02883	17.7
85.06525	4.2
91.03940	8.1
91.05464	39.2
92.72433	1.7
93.07027	34.7
95.04972	9.3
95.08597	21.3
97.02892	13.1
97.06494	6.0
97.10165	5.2
99.04434	2.0
99.14977	1.9
105.07018	29.5
107.04929	6.0
107.08587	20.9
109.02843	3.1
109.06498	7.3
109.10153	13.1
111.04477	1.8
111.08079	3.7
115.03946	1.9
115.05432	3.1
117.07008	24.1
119.04931	2.8
119.08563	19.5
121.06489	7.0
121.10135	10.4
123.08067	6.1
125.09665	3.1
127.03879	4.1
128.06189	6.4
129.06993	26.9
130.07674	2.1
131.08551	32.9
133.06474	5.6
133.10101	13.5
135.08051	5.3
135.11691	5.3
137.09616	3.7
141.06961	14.3
142.07739	4.2
143.08554	23.6
145.06467	7.6
145.10081	17.4
147.08034	7.5
147.11679	7.5
149.09599	5.9
149.13225	2.3
151.11131	2.9
153.06947	3.5
154.07729	2.4
155.08530	14.9
157.06474	3.5
157.10092	13.3
159.08055	7.9
159.11691	11.6
161.09598	4.5
161.13365	1.9
163.11183	3.4
165.07037	4.0
167.08501	9.8
169.10051	13.3
171.08034	2.5
171.11671	9.5
172.35779	1.8
173.09656	4.4
173.13222	3.6
175.11176	5.5
177.12729	3.8
179.08510	3.8
179.14014	1.8
181.10115	7.6
183.11676	7.1
185.09636	3.5
185.13263	5.9
187.11134	3.5
189.12634	2.4
191.08591	2.8
193.10219	4.0
193.12184	1.9
195.11652	7.8
197.13260	5.7
199.11186	2.3
199.14754	2.3
201.12494	1.9
206.10757	2.1
207.11725	3.9
209.13312	5.8
211.11230	2.7
211.14819	4.4
213.12679	3.7
215.14232	2.6
221.13264	5.4
223.14827	5.5
235.14946	2.6
238.06938	1.9
239.14163	4.2
245.15451	2.4
253.15939	3.9
257.15283	3.1
271.16867	5.1
285.18387	1.8
323.23718	4.7
333.22180	12.3
341.24893	5.2
351.23154	30.6
356.05753	2.0
369.24222	31.1
387.25403	18.6
389.25040	1.9
415.28299	3.3
425.26611	2.6
443.27890	100.0
444.28214	5.3
461.28973	60.1
462.29541	3.4
551.30194	2.8
605.32922	4.2
623.33502	10.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2863
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01896	0.8
55.05503	2.3
55.37377	0.8
57.07075	0.9
59.05011	0.7
63.01036	0.7
63.05967	0.7
67.05493	4.6
69.07047	2.0
70.79092	2.8
72.15234	0.9
79.05481	2.5
81.07065	4.9
83.08618	1.3
85.10187	0.9
85.23894	0.8
91.05474	3.5
93.07033	2.5
95.04967	1.0
95.08601	2.9
97.06512	0.9
105.07003	2.8
107.08587	2.1
117.07061	1.1
119.08577	2.2
121.10155	0.9
131.08539	1.0
133.10091	1.9
145.10091	1.5
147.11703	0.9
150.10010	1.0
151.11096	0.8
163.11121	1.0
165.12877	0.8
235.56303	0.8
244.79865	0.8
275.20090	3.2
276.20450	1.6
277.21335	1.8
279.30341	0.8
293.21167	1.7
391.19440	2.0
392.20419	1.2
403.19211	2.1
404.20264	1.0
405.20715	2.0
415.19568	1.0
416.20203	1.0
417.16360	1.1
417.21225	1.9
419.22690	4.3
420.23367	0.9
430.18185	2.4
431.18286	2.5
433.20065	5.3
441.16858	0.9
443.18442	1.9
444.19250	1.5
445.19772	5.6
446.20984	3.2
447.22052	4.5
448.22382	1.0
458.20999	6.7
459.21722	4.7
460.22369	3.0
461.19543	1.1
463.21487	1.8
473.23895	1.4
475.21118	1.6
476.22040	1.1
477.22995	2.2
491.24890	0.9
518.23346	4.1
521.21411	1.6
531.23682	1.1
533.25494	7.6
535.26349	1.6
545.25354	2.6
546.26099	1.2
563.26099	5.7
573.25330	1.0
605.27588	9.3
606.28888	1.0
623.28589	100.0
624.29004	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	623.2858
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07074	1.2
59.03199	0.9
66.72455	0.9
71.08631	1.1
77.24271	0.9
89.06027	3.5
133.08611	2.0
167.00365	0.9
222.81557	0.8
279.76404	1.0
391.18677	1.1
392.20132	1.7
393.20844	1.4
405.20804	1.8
406.21558	1.3
407.22238	9.6
415.19073	2.2
421.23987	11.0
422.24673	3.5
428.20322	1.2
429.20938	5.3
433.24561	1.4
442.21417	1.1
443.22296	3.7
444.23111	5.1
449.23105	1.2
456.19446	1.6
457.24341	4.5
458.24963	8.1
459.21506	9.6
460.22348	2.0
461.19006	2.1
462.20285	2.2
463.21216	1.3
470.21179	1.8
471.21048	1.6
472.22601	11.5
473.23706	4.6
475.21109	8.0
476.21570	8.8
477.22635	5.9
478.23578	1.7
485.23441	23.7
486.23886	4.9
487.24695	1.3
488.22250	1.6
489.22772	4.6
490.23831	1.2
499.21545	6.0
500.22198	4.1
501.22861	1.4
502.23282	1.4
503.24588	12.2
504.21173	1.4
513.22662	6.2
514.23926	2.8
517.26117	14.5
521.25000	2.0
527.23822	1.2
529.26123	3.4
531.23950	2.6
535.27094	8.2
545.25446	100.0
546.25726	2.6
562.25427	1.3
563.26489	4.5
564.27118	1.8
573.24890	24.9
577.28198	1.3
591.26117	2.2
605.27527	59.1
623.28552	63.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2858
Annotation	5-Cinnamoyltaxicin I triacetate
Peak:m/z	Relative Intensity
55.05500	1.0
55.53858	0.7
58.88597	0.7
67.05485	2.5
69.07066	1.8
70.30635	3.4
79.05478	2.1
81.03397	1.2
81.07048	2.7
85.63716	0.7
89.06033	1.0
91.05467	3.3
91.68810	0.7
93.07032	1.8
95.04954	1.1
95.08585	1.4
105.07014	2.5
107.04945	1.3
107.08600	1.1
117.07048	1.0
119.08573	1.5
121.10110	1.1
131.08527	1.2
133.10136	1.2
145.10149	0.8
151.17792	0.7
157.10187	0.8
168.08228	0.8
173.13313	1.0
173.78143	0.8
179.14368	0.8
180.35185	0.9
182.80357	0.8
185.10817	0.9
195.09145	1.4
196.09918	1.8
197.10718	0.9
208.09778	1.1
209.10742	4.7
210.11528	3.2
211.08720	1.0
211.12263	3.7
212.12993	1.0
221.10767	1.5
222.11301	1.4
223.08701	1.2
223.12225	8.1
224.09488	1.8
224.13077	6.2
225.10291	2.5
225.13861	1.8
226.14522	0.8
235.08728	1.3
235.12407	1.3
236.09549	1.9
236.13057	0.9
237.10281	3.2
237.13837	5.4
238.10948	0.8
238.14636	1.3
239.11768	0.8
239.15401	3.5
249.10217	1.4
250.11064	1.4
251.08173	1.4
251.11937	1.0
252.12640	1.8
253.09718	0.8
253.13411	1.5
263.08023	1.0
265.13251	5.1
266.14267	1.3
267.14911	1.4
275.15451	1.3
275.20117	3.0
277.09766	2.4
279.11337	1.2
281.12930	0.9
296.11575	1.0
297.12564	1.0
311.13910	5.7
314.12943	0.8
337.11951	1.4
338.16653	0.9
354.16068	0.8
386.27542	0.8
390.18393	0.9
392.20197	1.0
404.20322	1.0
405.21243	1.4
415.19479	1.1
417.17200	2.5
418.17908	2.2
419.18335	4.1
431.18878	2.2
432.19617	1.4
433.20169	5.5
435.21500	1.1
447.22162	1.4
449.23538	1.9
458.20178	0.9
461.19788	2.4
475.21420	1.0
476.22366	3.5
477.22995	4.2
488.22119	1.1
489.22623	1.2
490.24210	0.9
503.24167	1.4
505.22559	1.2
520.24591	1.9
521.25562	1.1
533.22064	1.7
535.27557	6.2
546.23730	1.1
548.24341	7.5
563.26520	91.7
564.26740	2.7
591.26007	5.3
595.29150	4.3
623.28601	100.0
624.29041	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2858
Annotation	Cyclotaxinine NN-2
Peak:m/z	Relative Intensity
55.05509	1.3
57.07077	0.5
60.58298	0.5
60.66447	0.5
67.05492	1.1
70.34839	1.8
70.70145	0.5
79.05498	1.4
81.07050	1.6
83.08597	0.5
86.22962	0.4
91.05493	1.3
93.07059	1.3
95.08592	0.9
105.07012	0.9
107.08586	1.2
109.10177	0.8
112.66972	0.4
117.07059	0.7
119.08603	1.3
120.08126	1.3
124.81402	0.6
129.06920	0.4
135.11678	0.5
143.08549	0.6
145.06502	1.0
145.10120	0.7
169.10242	0.5
172.04097	0.6
196.54533	0.5
204.06541	0.6
209.10765	0.6
234.81581	0.5
259.02060	0.5
261.42328	0.5
271.16913	1.4
275.20380	0.7
311.14029	1.0
326.12906	1.0
339.13568	0.5
340.14597	0.8
375.16025	1.2
389.17764	1.8
390.18451	1.1
391.19415	1.0
402.18527	0.6
403.19217	2.2
404.20135	1.1
405.16345	0.7
405.21057	4.3
406.21793	0.6
407.22165	0.7
417.16580	4.0
417.21970	0.7
418.17920	1.7
419.18170	2.6
420.19357	1.0
421.20035	1.0
431.18213	3.3
432.19397	3.8
433.20209	6.4
434.21097	1.6
435.21756	1.7
443.18222	0.6
444.19241	0.8
445.20547	1.2
447.22037	1.0
449.23883	1.2
450.24490	0.5
459.21799	1.6
461.19873	1.8
462.20560	1.2
463.21298	2.2
464.21756	0.8
475.21210	2.2
476.22156	2.9
477.23663	3.8
478.23633	0.5
489.22903	0.9
491.24612	0.9
493.22568	0.5
507.24005	1.0
519.23883	12.8
520.24817	0.7
521.26062	3.6
535.25812	1.7
547.23645	0.8
548.24854	0.6
549.24811	0.7
563.26520	14.2
564.27405	1.0
579.25720	2.7
581.27490	3.7
591.25977	0.9
595.28937	0.7
623.28595	100.0
624.28857	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	623.2856
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05488	0.5
60.85594	0.3
67.05497	0.9
69.99128	0.7
69.99539	1.5
76.06181	0.3
79.05484	0.9
81.03428	0.4
81.07017	0.8
91.05477	1.0
93.07028	0.9
95.08607	0.7
97.91672	0.3
105.07027	0.8
106.06556	0.4
107.08600	0.8
115.05507	0.3
117.07014	0.6
119.08548	0.5
122.09682	0.6
128.27470	0.4
132.08121	0.4
134.09636	0.4
182.09798	0.5
183.09178	0.5
194.09753	0.4
195.09207	1.5
196.09933	1.0
197.10794	1.2
199.08763	0.5
207.09116	0.6
208.09856	0.8
209.10725	4.7
209.12430	0.4
210.11383	2.0
211.08601	0.4
211.12326	3.5
212.12988	0.6
221.10808	1.0
222.11395	1.0
222.13148	0.6
223.08775	0.8
223.12259	5.6
224.09474	1.3
224.13016	5.8
225.10266	1.3
225.13699	2.3
226.14688	0.5
227.15736	0.4
233.10780	0.5
235.08759	1.2
235.12321	1.0
236.09477	0.9
237.10153	3.9
237.13779	3.9
237.15720	0.4
238.11151	0.7
238.14670	1.3
239.11873	0.6
239.15413	2.3
239.17548	0.3
247.12283	0.4
249.10356	1.4
249.13927	0.4
250.11086	1.5
251.08252	0.8
251.11882	1.1
252.12498	0.6
253.09782	0.5
253.13449	1.0
261.13828	0.5
263.08270	0.5
263.11774	0.6
264.09143	0.5
265.09821	1.2
265.13443	4.0
266.10321	0.4
266.14041	0.6
267.15018	0.9
275.15308	0.4
275.19983	0.4
277.09836	1.3
279.11426	0.6
279.28528	0.3
281.09622	0.4
282.13715	0.4
290.16644	0.6
296.11505	0.8
297.12411	0.7
299.15369	0.5
305.09344	0.6
310.13266	0.6
311.13919	3.3
316.18179	0.6
326.16821	0.3
337.11981	0.7
338.12714	0.4
340.14490	0.6
389.13885	0.5
391.19403	0.7
401.15570	0.4
402.19058	0.4
403.15005	0.6
404.15854	0.4
404.20370	0.4
405.16455	0.6
405.20892	1.1
407.22217	0.5
415.19269	0.5
416.16556	0.5
417.17145	1.4
418.18021	1.4
419.18256	2.4
426.18268	0.5
431.18860	1.4
432.19769	0.7
433.20380	3.4
434.21167	0.6
435.21768	0.4
445.20474	0.6
447.17096	0.6
447.22934	1.6
448.22980	0.9
449.23331	1.1
461.19852	1.7
463.21204	0.7
473.19690	0.7
475.20883	1.6
476.22073	2.5
477.22842	2.6
489.22946	1.4
493.23419	0.5
503.24255	1.0
505.22351	0.8
507.27444	0.4
517.22211	1.1
520.24786	1.0
521.25623	0.5
522.26398	0.7
531.24017	1.0
533.22363	1.1
534.22577	1.1
535.26868	3.8
547.23895	0.7
548.24103	3.3
549.25336	1.0
563.26495	32.0
564.26678	1.1
591.16412	0.5
591.25903	9.8
594.25116	0.5
595.29071	3.3
622.40399	0.8
623.28632	100.0
624.28815	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	623.2856
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	0.7
55.05495	2.2
57.03410	0.7
67.05492	3.1
67.42737	0.6
69.07054	1.6
71.76499	1.0
79.05491	3.4
81.07044	3.3
83.08601	1.1
91.05476	2.6
93.07032	2.5
94.55974	0.6
95.04952	0.7
95.08606	2.3
96.41608	0.6
97.06491	0.6
97.10139	0.8
101.29733	0.6
105.07049	1.9
107.08570	1.4
109.10173	1.0
117.05650	0.6
117.06966	1.2
119.08607	2.0
121.10140	0.7
129.06989	1.0
131.08569	2.0
133.10120	1.6
135.08006	0.6
135.40398	0.6
137.33553	0.6
145.10138	0.8
159.11612	1.2
171.11661	0.7
187.14902	0.8
195.57959	0.7
197.13303	0.9
215.14288	1.4
223.12476	0.7
228.05887	0.8
250.82312	0.6
264.26968	0.6
270.64737	0.7
275.20023	1.5
290.92825	0.7
311.13565	0.8
389.17667	1.3
403.19113	1.9
405.20905	1.5
415.19427	1.0
416.20233	0.9
417.16797	1.8
417.21460	1.2
419.22595	3.7
420.23187	0.7
431.18631	3.6
431.22891	2.4
432.19452	1.7
433.20197	2.4
443.18781	2.9
444.19714	1.3
445.20056	8.0
446.20959	5.7
447.22137	5.6
449.23267	1.5
451.32202	0.8
457.20129	1.1
458.20642	1.0
459.21805	2.8
460.22754	0.8
461.19809	2.1
462.20679	1.9
463.21402	1.7
476.21945	4.9
477.22714	5.0
489.22919	1.1
490.23901	1.1
504.24402	0.7
505.26602	0.7
519.24310	1.2
521.22156	1.2
522.26312	0.9
525.36133	0.7
533.25348	12.3
534.25659	1.3
535.22766	1.5
563.26569	19.4
591.25952	1.3
593.27991	3.0
594.24536	0.9
605.42126	1.0
623.28564	100.0
623.44092	2.6
624.29065	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	623.2854
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37299	0.9
55.05495	1.3
65.23293	1.1
66.36095	1.0
67.05501	2.0
69.45533	4.5
69.45965	6.2
79.05477	2.1
81.07049	3.1
83.08588	1.3
83.81306	1.0
85.10162	2.2
91.05477	2.3
93.07026	1.9
94.32895	1.2
95.04954	1.3
95.08591	1.7
95.46812	1.1
98.21474	1.8
102.48473	1.1
109.10168	1.6
113.09650	2.2
115.84347	1.4
131.08521	1.1
133.10126	1.3
165.12782	2.9
275.20038	2.2
277.21573	5.0
278.22018	1.5
295.22693	7.7
296.23065	2.3
329.09854	1.1
390.18683	1.6
405.20801	3.0
429.20972	1.9
433.20221	3.8
443.22638	2.4
444.23550	1.2
447.17810	8.1
448.22653	2.4
449.23422	3.3
458.24661	1.4
459.21597	1.7
461.19211	7.5
473.23267	2.4
476.22058	21.1
477.22760	5.0
485.23370	1.3
487.25153	1.5
503.24460	2.1
519.23865	2.5
521.21503	1.6
531.23895	1.9
545.25336	13.4
563.26605	9.4
605.27667	2.8
623.28601	100.0
623.36780	3.9
624.29510	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	623.2478
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01035	1.0
55.01857	3.7
55.05506	17.0
56.05016	2.2
57.03431	2.3
58.99572	2.3
61.02916	2.8
61.08815	1.1
67.05489	9.8
68.05013	2.8
69.03427	4.1
69.07052	3.7
69.33104	1.0
69.74078	4.1
69.74497	2.9
70.06580	4.1
71.05013	1.1
72.08136	1.8
73.02898	1.3
74.00648	3.8
76.02214	1.0
78.90830	0.9
79.05479	11.2
80.05008	2.8
80.50475	1.0
81.03403	2.5
81.05786	3.5
81.07042	7.4
83.04957	2.5
83.08612	9.2
84.08137	2.2
85.01117	1.3
85.02914	4.8
85.06541	1.7
86.09714	1.6
88.02207	6.9
91.03969	1.5
91.05481	2.5
93.07040	5.0
95.04955	2.5
95.08595	1.3
97.01129	1.8
97.02863	2.4
97.06579	0.9
97.10162	18.6
98.00621	9.5
100.02204	1.5
105.07027	2.1
107.04949	2.1
107.08582	8.1
109.02869	1.6
109.10136	3.3
111.04396	1.3
111.08058	1.4
112.02184	15.0
113.00564	2.9
114.03742	100.0
116.01669	12.5
116.84539	1.0
117.06960	1.8
119.08604	1.6
121.10155	1.4
123.07995	1.5
125.09618	16.7
126.03699	1.2
129.06963	1.9
130.05000	1.7
131.08508	1.4
133.10075	1.5
134.06027	1.0
135.08049	4.4
137.06044	1.2
137.07047	1.3
138.03699	1.0
140.01624	4.6
143.06355	1.2
144.01166	1.5
145.10078	1.8
151.03992	1.1
153.09132	2.1
163.11183	2.1
167.06940	1.8
169.04340	3.5
171.05858	7.1
171.10106	1.2
189.09619	1.7
189.11174	10.7
191.10503	1.0
195.08432	3.4
204.13954	1.0
215.04813	7.8
216.05147	3.7
217.06459	3.8
220.11617	1.9
223.07771	1.3
224.11035	1.2
227.12674	3.1
238.12598	12.1
245.13843	1.3
248.10965	7.5
254.14209	2.3
266.12076	72.4
267.12402	2.2
278.12106	3.8
284.13062	12.8
294.08270	2.2
294.11557	40.1
295.14590	1.6
313.06995	4.3
314.07281	2.7
315.07870	3.8
323.14313	7.5
340.15729	5.5
341.15259	23.0
351.14209	5.0
358.16739	1.9
368.15216	4.6
369.14761	10.2
387.15887	6.5
397.17871	2.0
425.17529	14.0
429.16650	1.7
443.18436	76.7
444.18512	2.6
461.19495	38.4
462.19336	1.9
623.22729	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	622.4687
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	1.0
55.05507	2.4
55.26398	0.3
55.48734	0.4
57.07059	0.6
58.76099	0.3
65.46455	0.4
67.05507	4.1
69.03413	0.5
69.07072	2.1
71.08622	0.6
78.99873	0.3
79.05486	3.5
80.34265	0.3
81.03398	0.4
81.06607	0.4
81.07050	5.1
83.04968	1.0
83.08611	1.5
85.10172	0.5
91.05477	3.6
93.07031	2.8
95.04294	0.3
95.04967	1.4
95.08601	3.0
97.06529	1.0
97.10176	0.5
99.08106	0.5
105.07017	2.5
107.04945	0.6
107.08572	2.3
109.06511	1.0
109.10164	1.3
111.08079	1.4
117.07012	0.9
119.08551	3.1
121.06430	0.4
121.10156	1.0
123.11752	0.6
129.07056	0.4
131.08568	1.4
133.10143	2.3
135.11732	1.0
137.09656	0.5
139.11180	0.5
145.10123	1.8
147.11700	1.6
149.09630	1.3
149.13263	0.9
151.11229	0.7
157.10202	0.7
159.11667	0.6
161.13284	0.7
163.11128	0.9
165.12735	0.9
171.11723	0.5
177.12796	0.8
181.12279	0.4
184.48166	0.4
195.13814	0.5
239.17734	0.5
241.19429	0.4
249.22157	0.4
257.18900	0.6
259.20648	0.5
275.20016	4.8
277.21585	6.0
293.21094	0.8
295.22586	2.0
374.14871	0.5
375.15472	0.4
376.16675	0.9
387.16119	0.7
388.16617	0.8
389.17395	1.2
390.17969	2.2
391.19006	0.7
402.18106	0.7
403.19150	2.4
404.19727	4.0
404.67465	0.3
405.20285	2.9
406.21066	2.0
416.19958	0.8
417.15851	2.1
417.21130	1.2
418.17407	3.8
418.21484	2.1
419.17328	0.6
419.22708	2.3
420.22714	5.7
421.23325	0.7
430.17062	0.7
431.17697	2.3
432.18436	6.3
433.19693	2.7
434.20398	2.4
442.17416	0.5
443.18408	0.4
444.19086	0.6
445.20059	1.6
446.20428	6.2
447.21381	7.5
448.22119	9.1
449.22739	1.0
460.23251	1.7
461.19077	1.1
461.23773	0.4
462.20215	1.1
463.20587	0.4
474.19336	2.2
475.20703	7.1
476.21524	7.3
477.22232	0.8
478.23892	0.5
487.21536	0.4
488.21643	2.9
489.22092	0.5
490.23456	0.6
492.20950	1.0
502.23291	2.2
504.21115	0.6
505.21725	0.6
506.26093	1.3
507.24152	0.6
519.23334	0.6
520.21289	0.4
520.23328	0.4
530.23395	0.6
533.25305	1.3
534.25867	13.1
535.25824	1.3
547.22693	0.7
561.25116	1.1
562.25232	21.0
563.25732	2.4
569.41357	0.5
590.24768	0.6
594.28015	4.4
595.28418	0.6
622.27350	100.0
623.27759	13.7
623.39166	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	622.4669
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	4.5
55.05271	0.5
55.05502	4.5
57.03423	0.9
57.07041	1.5
59.55403	0.6
64.43561	0.5
65.47182	0.5
67.05495	9.5
69.07050	4.7
69.53793	3.5
69.54207	2.0
71.04958	0.8
71.08593	0.8
79.05087	0.6
79.05478	8.0
81.03381	1.1
81.07043	21.6
83.04943	2.2
83.08614	5.5
85.06515	0.7
85.10141	2.3
91.05469	8.2
93.07036	8.8
95.04955	4.1
95.08595	9.9
97.06488	2.0
97.10165	1.1
99.08072	1.1
105.07013	8.9
107.04906	3.4
107.08585	5.5
107.51976	0.6
109.06498	8.4
109.10129	3.7
111.08061	7.2
111.88092	0.6
113.09615	3.0
117.07012	1.5
119.08549	7.4
121.06431	0.9
121.10132	5.4
123.08002	2.4
123.11651	2.3
125.09609	0.6
129.06972	1.2
131.08549	3.9
133.10101	6.3
133.12779	0.5
135.08009	1.1
135.11717	2.9
137.09608	1.5
139.11127	0.9
143.08522	1.2
145.10062	3.7
147.08115	0.6
147.11665	6.3
147.59750	0.5
149.09555	3.3
149.13254	2.6
151.11163	2.6
153.12727	1.3
157.10060	1.2
159.11617	2.7
161.09586	1.1
161.13235	2.1
163.11081	3.3
163.14862	0.9
165.12733	4.3
169.10037	0.6
171.11633	1.2
173.09584	0.7
173.13208	1.4
175.11140	1.6
175.14729	0.6
177.12747	0.7
179.14212	1.1
183.11664	0.8
193.12207	1.1
197.13168	0.7
203.14175	0.7
209.10728	0.6
229.19565	1.1
239.18045	0.7
247.20593	1.6
249.22212	1.5
257.19046	2.0
259.20532	0.9
275.20026	18.2
276.20709	0.7
277.21579	23.9
278.21899	0.8
293.21063	6.1
295.22626	8.6
340.14490	1.0
361.14532	0.6
373.15048	0.6
375.15817	1.1
376.16269	1.3
387.15979	1.2
388.16245	1.2
389.17377	2.7
390.18115	4.5
391.18573	1.7
392.19382	0.6
392.63928	0.6
400.16904	0.7
401.17722	0.7
402.18384	1.8
403.19211	3.5
404.15417	0.7
404.19702	6.2
405.20679	3.8
406.21060	2.5
415.19214	0.9
416.15289	0.8
416.20056	1.2
417.16861	2.4
417.20786	2.5
418.17218	3.9
418.21219	4.2
419.17297	1.1
419.22723	4.9
420.22696	10.7
421.23282	1.0
429.20978	1.2
430.21609	0.8
431.17715	4.2
432.18353	10.8
433.19101	4.1
434.20120	2.7
444.18652	1.2
445.19937	3.5
446.20428	11.5
447.21524	16.7
448.22119	22.3
449.22626	2.5
458.19974	0.9
459.21591	2.5
460.23349	5.6
461.19189	2.5
461.23499	1.9
462.19766	2.9
464.21411	0.8
472.22433	2.5
473.23965	1.1
474.19492	7.0
475.20825	29.5
476.21521	30.3
477.22433	4.8
485.23206	3.0
486.24167	0.9
487.20120	1.0
488.21606	8.3
489.22397	5.0
490.22595	1.0
491.23828	1.9
492.20969	1.2
500.48199	0.7
501.23053	0.9
502.23340	5.1
503.23843	2.1
505.21481	0.7
506.27274	2.7
507.23715	0.6
517.25818	1.9
518.22577	1.3
519.23285	1.3
521.23132	1.0
530.22760	1.8
531.23871	3.2
532.24536	0.6
533.25232	2.2
534.25757	21.3
535.26202	2.9
545.25427	19.6
547.22900	1.8
548.23669	0.8
561.24939	6.0
562.25214	100.0
563.25781	17.2
569.41852	1.3
590.24451	2.6
594.27881	4.1
605.27643	1.6
622.27289	74.3
623.28284	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	622.3999
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26477	0.4
53.02634	0.4
59.04991	6.0
67.05484	0.7
69.03425	0.7
69.83766	3.5
70.06582	1.6
71.04995	0.6
72.08139	1.0
73.02896	0.6
73.06532	2.1
73.19038	0.4
79.05480	0.6
81.07054	0.7
84.04445	0.8
84.08128	0.6
85.02905	1.1
85.07652	0.4
86.09711	0.6
87.03945	1.0
87.04453	12.7
89.06017	100.0
91.05492	0.9
93.07068	0.5
95.08559	0.5
101.06033	0.5
103.07566	1.6
105.03384	0.7
105.07053	0.6
107.07069	3.1
113.06018	0.6
117.09135	1.0
119.08544	0.5
129.09018	0.5
130.08594	1.8
131.07021	4.1
133.08585	56.1
137.64253	0.4
144.08119	0.6
147.10112	0.8
172.07562	1.3
175.07500	0.6
175.09718	2.8
177.11197	20.3
187.14421	0.4
191.12822	1.1
192.55215	0.5
219.12431	0.9
221.13821	2.5
239.15019	0.7
265.16495	0.8
267.06491	1.9
268.07147	0.7
283.17490	1.7
297.07666	0.9
309.19168	0.7
310.10739	0.5
327.20108	0.6
371.22675	0.7
442.15158	0.5
447.17899	0.4
459.28555	0.8
503.30756	0.9
547.33337	4.4
604.16602	0.5
622.40607	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	622.379
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	7.6
53.88990	1.0
55.01867	14.0
55.05504	11.2
57.03423	4.8
57.07061	3.1
61.02930	1.4
64.75211	1.0
65.03946	1.1
67.01852	1.0
67.05494	38.1
69.03423	28.9
69.07057	13.2
69.68309	5.8
69.68736	2.7
71.04980	9.2
71.08632	2.3
73.02905	7.7
79.05477	13.4
81.02934	1.9
81.03407	31.1
81.07047	40.0
83.04966	1.8
83.08606	9.9
85.02892	12.3
85.67805	1.1
91.05471	7.9
93.07034	13.4
95.04954	1.7
95.08597	34.6
96.25969	1.1
97.02881	34.6
97.06534	2.1
97.10149	6.8
99.04441	61.9
99.08074	1.3
101.02428	1.7
105.07024	6.6
106.78147	1.1
107.08560	8.6
109.02868	36.3
109.03626	1.8
109.07788	1.0
109.10145	14.7
111.04424	9.6
111.11700	1.1
117.06974	1.2
119.08552	5.5
121.10130	8.9
123.11711	6.0
127.03899	100.0
129.05446	2.4
131.08519	1.4
133.10130	6.1
135.11668	3.3
137.09612	1.4
137.13263	2.9
139.11230	1.4
145.04936	20.3
147.11671	3.6
149.13278	5.4
151.14748	2.7
152.58887	1.0
161.13255	3.9
163.14841	3.5
175.14795	2.5
177.12782	1.2
179.14343	1.6
179.17981	1.5
189.16367	2.2
219.17409	1.0
243.21123	3.4
245.22600	6.6
261.22052	6.6
263.23691	21.8
279.23178	3.9
317.24658	1.9
327.35611	1.0
331.26260	1.7
335.25897	1.1
341.24713	2.0
343.26364	2.6
353.24704	3.9
359.25717	4.3
371.25775	11.3
377.26514	1.0
389.26746	4.2
399.19678	1.2
401.40503	1.1
407.27838	13.8
425.28967	29.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	622.3793
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	9.4
55.01863	13.3
55.05501	18.0
56.34261	3.8
56.71879	4.4
57.03427	14.7
57.07055	5.1
58.45769	3.8
58.82000	3.7
59.82223	4.0
61.02908	9.1
67.05498	67.1
69.03426	90.7
69.07066	26.8
69.81652	18.5
69.82094	12.9
71.01325	5.9
71.04987	7.7
71.08603	5.2
73.02941	7.1
74.03731	3.6
79.05485	34.3
81.03410	44.9
81.07049	68.1
83.04952	7.8
83.08608	16.1
85.02897	100.0
85.06503	4.9
85.81406	4.0
91.05475	25.8
93.07030	45.1
95.04974	12.0
95.08615	50.4
97.02892	46.9
97.10164	12.9
98.21074	15.8
99.04430	14.9
101.02383	7.7
105.07014	27.0
107.04951	7.9
107.08569	29.5
109.02858	12.3
109.10171	19.6
111.04465	6.8
111.11749	4.4
115.03957	5.1
117.07010	7.7
119.08576	17.2
119.72628	4.2
121.10098	20.7
123.04467	6.5
123.11724	7.4
127.03902	69.1
129.06940	5.3
131.08546	14.8
133.10098	20.8
135.11665	12.6
143.08583	8.3
145.04991	37.4
145.06180	5.8
145.10123	11.7
147.11700	12.0
149.13200	5.1
155.08569	6.8
157.10138	6.1
159.11757	5.7
159.73901	4.6
161.13275	8.5
163.14882	4.5
169.10196	4.9
171.11714	8.3
173.11790	4.7
173.13165	7.2
177.16368	6.3
180.08690	10.0
187.14873	6.0
203.14349	5.9
205.15982	4.3
213.16179	4.7
227.14505	5.5
245.22604	8.4
261.22269	8.0
263.23730	14.9
272.28143	4.8
279.23080	5.6
287.23593	4.7
291.23215	4.9
293.24551	11.1
303.23340	10.5
305.24582	10.1
317.24774	14.1
321.24271	8.3
329.24466	4.8
343.26349	8.2
347.25766	8.0
353.24814	13.3
361.27377	4.6
371.25824	68.3
389.26807	62.7
407.27917	60.6
425.28790	15.4
574.17279	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	622.27
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04996	2.0
62.41500	0.2
64.68232	0.2
67.05493	0.7
71.04985	4.2
71.10838	0.7
79.05488	0.5
83.04972	0.8
84.04501	0.4
85.02899	2.3
85.06509	0.4
91.05473	0.8
93.07025	1.2
95.04951	1.0
96.00150	0.2
97.02897	0.3
101.05997	2.6
103.05457	6.1
107.04965	1.4
111.04426	1.1
113.05993	9.1
120.08092	100.0
121.08421	1.0
129.05464	1.0
131.04933	2.8
131.05833	0.3
131.06018	0.4
131.07019	4.8
147.06464	0.5
149.06177	1.9
149.08076	13.5
166.08624	46.9
223.09421	0.3
274.88333	0.3
306.31116	0.3
312.14331	0.3
328.82648	0.3
461.86609	0.3
598.69751	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	622.2773
Annotation	Unknow
Peak:m/z	Relative Intensity
58.51679	2.6
59.55502	2.9
71.73156	3.5
108.44201	2.4
124.50790	2.6
140.56766	2.5
182.95393	2.5
195.09035	3.2
209.10765	4.0
223.12344	5.8
226.14722	3.3
302.38287	2.8
338.13000	3.6
405.20981	5.0
415.19568	3.2
417.17163	7.4
419.18567	5.1
431.18698	6.3
432.19705	3.2
433.20148	10.7
438.08267	2.8
445.16269	5.1
446.17029	5.1
447.16821	4.0
447.22723	15.6
451.47714	2.6
459.17920	2.8
460.18771	7.6
461.19196	15.4
462.20453	11.8
473.19992	2.9
475.21207	56.8
476.21964	18.8
477.22906	12.3
489.22638	6.1
503.20908	5.8
505.22897	3.9
535.23083	17.0
536.23828	3.5
547.23212	6.0
548.23364	2.8
549.25092	4.6
562.25293	23.4
563.26587	23.0
590.24841	9.6
593.24146	5.0
594.27600	6.5
607.25574	5.1
622.27753	100.0
623.28473	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	622.1964
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	7.4
53.95960	1.0
55.01867	6.8
57.03433	5.3
61.02911	5.7
65.03940	1.7
68.99773	3.6
69.03421	35.1
69.87017	1.0
70.06588	4.9
70.39256	2.3
70.39677	1.9
71.01337	1.2
71.04995	4.3
72.08144	1.9
73.02901	6.0
81.03407	35.0
83.01340	1.6
83.04975	2.3
83.67958	0.9
83.68526	0.8
84.04523	1.2
85.02896	92.2
86.09685	2.0
87.00819	41.2
90.95631	0.9
91.03945	2.2
91.05470	78.0
95.04966	1.8
96.08985	0.9
97.02882	45.8
99.04444	13.9
101.02370	1.4
102.05537	1.0
103.03933	3.0
105.01855	45.9
105.07034	2.2
107.51857	0.7
108.04478	1.6
109.02869	58.6
110.07153	1.0
111.04422	3.0
113.02364	1.1
115.03924	1.4
117.01845	2.3
119.04980	1.2
123.04414	2.3
125.02374	2.2
127.03903	100.0
129.01837	4.0
129.06979	2.0
129.10234	1.1
129.88788	0.8
133.06490	1.2
137.05992	1.0
139.03902	0.8
141.05411	0.8
143.03448	0.8
145.04945	22.0
145.06357	1.7
147.02885	2.9
151.03909	2.5
157.06467	1.5
158.54109	0.8
159.02879	12.7
165.05457	1.4
169.04927	5.3
171.02892	1.9
171.08044	1.3
175.07449	0.9
187.05989	3.4
189.03870	5.6
189.05365	0.9
193.04971	2.0
199.07553	2.5
213.03934	18.8
213.05844	1.4
217.04900	1.2
217.08551	1.8
231.04965	23.8
235.05984	1.8
243.02036	0.9
248.07721	0.8
249.06055	6.0
253.07106	1.7
255.04900	1.2
273.06024	15.1
297.06009	1.3
303.08707	0.9
315.07065	2.7
321.09445	0.8
339.07159	4.9
339.10849	1.0
357.08063	2.3
443.08109	2.4
461.09235	4.3
528.59320	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.326
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58628	2.0
53.03932	9.0
55.01870	10.5
55.05509	48.8
57.03433	15.3
60.17617	2.0
61.02917	6.4
65.03925	3.8
67.05499	60.1
69.03419	22.6
69.07054	20.5
69.59830	11.4
69.60262	5.9
70.06611	2.8
71.01332	2.7
71.04979	6.8
73.02911	3.8
79.05484	52.2
80.05795	2.7
81.03412	46.1
81.06545	2.9
81.07049	60.2
83.04972	16.0
83.08615	25.9
83.66116	1.7
85.02895	20.0
85.06544	4.7
91.03907	3.2
91.05476	54.7
93.07035	40.1
95.04948	15.3
95.08596	21.3
97.02894	16.4
97.06518	8.5
97.10161	42.8
99.04448	6.9
99.08054	3.1
103.05450	17.0
105.07018	32.8
107.04945	12.4
107.08580	33.6
109.02882	14.7
109.06515	8.1
109.10129	13.4
111.04443	6.4
111.08055	3.3
115.05410	11.1
117.07007	46.9
117.07787	3.2
119.08562	23.8
121.06490	7.5
121.10178	11.7
123.04426	3.4
123.08062	3.8
123.11720	2.2
125.09627	37.3
127.03915	9.0
128.06204	4.8
129.05498	3.6
129.06996	26.7
131.04938	6.0
131.08548	34.4
133.06496	9.8
133.10158	10.7
135.08040	11.2
135.11702	9.1
137.05971	2.6
137.09605	2.8
141.06970	12.8
143.04924	2.1
143.08539	17.5
145.06477	11.7
145.10097	16.6
147.04379	2.4
147.08058	7.7
147.11690	6.9
149.05957	2.6
149.09599	3.7
149.13231	6.5
153.06970	4.6
153.09105	3.5
153.12744	2.9
155.08577	14.1
156.09465	2.3
157.06522	5.6
157.10107	9.0
159.08043	7.7
159.11705	9.3
161.05930	2.7
161.09636	3.2
163.11183	8.1
164.19888	1.9
165.06944	3.3
165.12756	4.0
167.08513	4.3
169.10106	10.9
171.08038	5.5
171.10248	2.7
171.11691	8.5
173.04427	8.3
173.05815	2.4
173.09619	5.6
173.13176	4.1
175.11188	2.4
177.12721	3.7
179.08546	3.6
181.10094	6.1
181.12221	3.8
183.06468	2.8
183.07957	5.0
183.11661	4.0
185.09634	5.6
185.13254	4.8
186.42355	2.0
187.11153	2.6
187.14790	15.6
189.09378	3.0
189.11198	23.8
189.12733	3.3
191.10686	6.6
193.10187	2.0
195.11664	6.4
195.13672	4.3
197.13261	12.8
199.11258	5.2
201.09235	3.4
201.12636	2.7
206.38689	2.3
209.11702	8.3
211.13181	2.9
213.12740	5.4
215.14297	52.8
215.16206	3.9
223.11206	3.7
225.12816	3.5
227.12685	19.8
231.13795	3.0
233.13280	3.0
233.15337	5.2
239.14493	2.2
241.12347	3.0
245.13783	4.7
251.14447	2.6
253.15810	2.9
255.13841	2.3
257.15244	3.0
261.14694	2.4
269.15314	4.0
271.16904	3.2
307.15747	2.3
311.05698	2.2
317.13889	2.6
335.14905	2.5
339.23273	6.6
349.21637	9.3
349.79633	2.2
357.24304	2.4
367.22577	28.5
385.23749	25.9
403.24863	6.2
413.21472	2.1
441.26300	60.9
459.27402	100.0
460.27774	3.1
477.28284	8.0
483.27460	3.5
501.28006	2.2
529.27850	2.4
567.29492	5.9
585.30402	4.1
603.31165	10.2
610.73993	2.1
621.32739	50.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.3062
Annotation	Lotusanine B
Peak:m/z	Relative Intensity
50.25821	1.0
52.90833	0.9
54.46563	1.1
58.41069	1.0
61.37368	1.0
67.05499	1.5
70.81145	2.3
70.81549	2.2
73.54614	0.9
75.51432	0.9
123.39941	0.9
171.09489	0.9
205.88425	1.0
257.63364	1.0
267.24289	0.9
305.89447	1.1
403.19064	1.6
404.20282	1.4
405.20834	1.4
417.20944	3.1
418.21585	1.6
419.22238	3.1
431.18231	6.3
432.18945	1.3
433.24078	6.7
445.19846	8.3
446.20911	2.7
447.21912	3.8
459.21933	3.8
460.22546	8.9
461.23218	13.2
473.23584	3.6
487.25089	1.4
505.22455	2.0
533.25085	8.3
561.28693	23.7
562.29187	1.4
575.26099	1.6
621.30670	100.0
622.30292	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	621.2703
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
65.01005	0.2
67.05525	0.2
67.09396	0.2
67.58005	0.2
71.76289	0.2
77.26080	0.2
79.97782	0.2
84.42773	0.2
95.08636	0.2
106.06537	0.2
123.79521	0.2
144.07988	0.3
195.09209	0.2
197.10773	0.3
207.09241	0.2
209.10724	0.3
221.10692	0.3
222.11540	0.3
233.10852	0.3
247.23512	0.2
263.11829	0.2
285.13205	0.3
286.13330	0.3
298.13440	0.3
299.14221	0.2
300.15128	0.3
324.14804	0.3
348.15216	0.3
373.14420	0.4
374.15512	0.7
375.15927	1.0
376.17120	0.3
387.16144	0.9
388.16873	1.3
389.17569	3.4
390.18359	1.4
391.19296	0.9
401.18109	1.0
402.13873	0.4
402.18811	1.8
403.15225	0.7
403.19501	4.1
404.20148	2.2
405.20779	2.9
413.17828	0.3
415.19968	1.0
416.15585	1.6
416.20825	0.4
417.16129	4.3
417.21133	2.2
418.17508	0.8
418.21539	1.0
419.22330	8.4
420.23001	0.8
429.16763	0.6
429.21277	0.6
430.16714	0.9
430.22064	0.6
431.18021	7.4
431.23145	1.1
432.18936	2.8
433.19986	2.2
443.18719	0.7
444.19812	0.9
445.20059	6.8
446.20999	7.4
447.21783	11.6
448.22568	0.4
457.20221	0.3
458.21054	0.3
459.17065	0.7
459.21814	2.6
460.18903	1.0
461.19485	1.6
463.21350	0.4
471.18289	0.3
473.19226	1.0
473.23721	1.3
474.20270	6.9
475.21262	7.8
476.22025	0.3
477.23026	0.6
478.23264	0.4
487.21359	3.9
488.21951	1.2
490.23730	0.3
491.19916	1.5
501.22705	2.2
503.20523	0.5
505.25931	1.4
506.23477	0.3
517.22253	0.2
518.22852	0.7
519.20416	0.6
529.22314	0.7
533.25458	16.1
534.25732	0.6
546.22742	0.6
561.24945	22.8
562.25555	1.2
565.28076	0.2
589.24158	1.2
593.27502	4.1
621.27014	100.0
622.27307	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	621.2705
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70607	2.6
55.15450	2.7
71.48370	3.8
78.39452	2.4
88.53909	2.5
109.64540	3.2
153.61989	2.7
227.48398	2.7
259.64258	2.8
320.70731	2.6
389.17746	2.8
403.19220	10.5
417.16620	5.5
419.22171	6.0
431.18713	9.5
432.19830	4.5
445.20358	8.6
446.21161	5.3
447.21967	14.6
474.20151	15.0
475.21042	20.0
487.21478	4.9
533.25720	12.6
561.24915	89.1
562.25452	3.4
589.24011	2.8
593.27441	4.0
621.16846	4.9
621.27063	100.0
621.39246	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	621.2696
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
54.44772	0.2
70.12386	0.2
70.45219	0.9
129.67505	0.3
133.65761	0.3
195.09023	0.3
212.11935	0.3
232.34962	0.2
235.08600	0.3
289.63300	0.3
374.15613	0.2
375.16043	0.6
387.16312	0.6
388.16876	0.7
389.17511	1.9
390.18478	1.0
391.19189	0.7
399.15964	0.3
401.17630	0.9
402.18625	0.7
403.14667	0.4
403.19482	3.2
404.20096	1.1
405.20877	2.0
415.19714	0.4
416.16211	0.8
416.20728	0.4
417.16208	2.9
417.21112	1.4
418.17172	0.4
418.22015	0.4
419.22275	5.1
420.22992	0.8
429.16705	0.4
430.17273	0.5
430.22150	0.5
431.18036	4.3
432.19009	1.9
433.19815	1.8
443.18994	0.6
444.19415	0.4
445.19983	3.5
446.20908	4.0
447.21796	5.9
448.22571	0.3
459.16956	0.5
459.21976	1.3
460.23166	0.4
461.19373	1.1
473.23944	0.8
474.20355	4.0
475.21170	5.2
476.21924	0.4
487.21393	2.0
488.22153	0.7
491.20822	0.8
501.22772	0.9
502.24121	0.2
505.25848	0.9
517.22388	0.3
519.20081	0.7
529.22894	0.5
533.25433	8.1
534.26196	0.5
561.24945	16.8
562.25513	0.6
589.24506	0.7
593.27606	3.6
621.27008	100.0
622.27454	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	620.4519
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14988	4.2
54.52680	4.9
55.01851	5.2
55.05518	20.9
58.31089	3.9
60.87032	3.7
67.05495	24.1
69.07049	10.9
70.17725	22.6
79.05489	19.8
81.03403	4.9
81.07054	48.7
83.04950	5.0
83.08610	8.5
91.05473	22.5
93.07016	16.2
95.04965	43.5
95.08578	17.2
99.99148	4.0
105.07015	25.1
107.04920	13.0
107.08572	11.4
109.06491	11.0
109.10136	10.2
111.08029	6.8
117.06985	6.9
119.08562	18.4
121.06509	5.8
121.10130	10.8
125.09562	6.2
130.90819	4.1
131.08575	10.4
133.10107	18.2
135.08008	6.8
145.10109	16.6
146.75890	4.2
147.11671	11.2
149.09628	13.4
157.10117	4.0
163.11188	15.4
173.13138	4.8
177.12729	4.8
189.11224	8.1
193.12271	4.7
223.13274	17.8
240.83569	4.7
247.20494	4.3
257.19000	11.5
275.20059	100.0
276.20349	4.3
293.21103	33.0
350.31839	4.3
423.38519	4.0
496.13831	4.1
620.44281	97.5
621.26581	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	621.2495
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.6
55.01854	1.7
55.05503	4.9
56.05004	0.6
57.03430	6.9
59.04990	0.7
61.02911	3.3
62.41447	0.5
67.05493	0.5
69.03425	7.3
69.07062	0.7
70.06578	3.4
71.01344	1.0
71.04985	36.5
71.72875	0.7
72.08133	0.8
73.02925	3.0
73.19817	0.6
75.04475	5.6
79.05498	1.1
80.22820	0.5
81.03409	2.5
81.07031	0.7
81.90721	0.5
83.04972	39.0
83.56578	0.5
83.71368	0.5
84.04464	0.7
84.08128	1.1
85.02896	100.0
85.07641	1.3
86.03223	0.6
86.06060	0.7
86.09717	1.2
87.04451	2.9
91.03938	1.2
91.05480	0.8
97.02876	11.1
99.04433	3.3
101.06010	1.5
102.05563	0.7
103.03972	0.8
107.04936	1.0
107.08582	1.3
109.02863	3.7
110.07172	0.6
111.04430	23.2
116.04953	0.5
120.08147	0.5
121.10125	1.7
123.04398	0.5
127.03899	15.2
128.07158	0.7
129.05466	48.4
134.05992	3.3
145.04942	13.9
145.06105	1.0
146.08112	0.8
147.06506	29.1
149.05978	0.6
158.05974	5.1
163.06039	4.2
165.07596	1.1
166.75179	0.6
171.06555	1.2
176.07109	2.0
177.16417	2.4
225.07597	1.0
237.07498	4.3
243.08705	0.7
255.08649	6.8
262.10837	1.3
273.09665	5.2
280.11780	13.4
309.11713	6.6
400.97824	0.6
442.16974	5.1
460.04752	0.6
621.20776	3.2
621.35913	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	620.3634
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31631	1.6
53.03930	8.7
55.01868	21.0
55.05501	13.1
57.03423	6.5
57.07071	2.5
61.02927	2.5
61.90068	1.7
62.07320	1.8
65.03937	2.1
67.05499	54.9
69.03425	42.4
69.07050	13.1
70.38186	4.0
70.38577	3.8
71.01348	1.9
71.04995	11.7
73.02927	9.6
73.03257	1.9
79.05483	33.5
81.03403	46.5
81.07047	57.5
83.04984	4.4
83.08614	5.2
85.02896	21.7
91.05459	20.9
91.05957	2.0
93.07035	41.5
95.04953	5.4
95.08594	52.3
96.08947	1.9
97.02879	41.8
97.10160	3.7
98.20914	3.0
99.00806	2.1
99.04445	68.3
101.02365	3.3
103.81882	1.7
105.07016	14.6
107.07887	2.6
107.08585	21.1
109.02866	42.9
109.06468	2.0
109.10149	22.1
111.04401	9.1
111.08096	2.2
115.03924	2.0
117.06978	4.1
119.08573	14.5
121.10132	19.4
123.11713	9.3
127.03899	100.0
131.08548	10.2
133.10127	10.4
135.11687	16.9
137.13281	2.3
143.08556	2.0
145.04909	15.0
145.10110	9.2
147.11629	8.5
148.42484	1.8
149.13234	8.5
151.14812	1.9
157.10182	2.4
159.11679	7.2
161.13278	4.2
163.14780	4.9
173.13277	6.6
175.14842	2.2
187.14784	4.5
196.99014	1.7
199.14771	2.2
207.35674	1.9
225.12692	1.7
241.19408	2.4
243.21107	5.0
259.20551	6.2
261.22125	21.9
277.21606	9.1
279.23154	5.9
283.01862	28.8
284.02225	8.0
337.27594	3.2
338.27716	4.8
357.24039	4.2
369.24170	4.8
387.25165	6.5
391.87662	1.9
405.26285	5.9
423.27380	35.4
441.74109	1.7
535.62250	1.9
620.28595	10.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	620.3632
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	13.1
55.01863	17.6
55.05501	23.6
55.79461	10.9
57.03426	20.5
67.05486	61.3
69.03419	86.2
69.07044	21.0
77.25768	8.4
79.05476	35.0
81.03401	38.6
81.07040	54.2
83.08606	9.6
85.02908	100.0
91.05464	36.2
93.07024	68.2
95.04964	18.5
95.08594	40.1
97.02888	46.0
97.06586	9.2
98.79949	9.5
99.04436	13.7
101.02322	10.9
105.06994	48.1
107.08564	31.7
109.02879	16.4
109.10127	27.4
111.04409	11.0
117.07051	17.9
119.08572	25.6
121.10109	25.2
127.03899	69.5
129.06973	12.0
131.08540	26.5
133.10110	28.5
135.11665	19.0
143.08493	12.4
145.04927	33.7
145.10081	17.8
147.11652	11.0
149.02333	42.0
149.13203	11.3
157.10153	14.2
159.11711	19.1
161.13228	9.9
180.08624	12.6
193.04970	21.9
259.20633	11.7
301.21436	10.0
303.23166	13.5
312.35486	11.4
341.24942	11.7
351.23026	15.3
369.24222	36.7
387.24994	56.4
405.26190	47.5
423.27423	25.6
433.81525	11.4
644.96021	15.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	620.4515
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	4.0
55.01876	4.5
55.05505	25.1
57.07066	2.4
67.05492	28.2
68.15192	2.2
69.07062	13.4
69.80473	16.0
71.04990	4.1
79.05489	29.0
81.03407	9.4
81.06601	3.8
81.07050	46.2
83.04977	7.0
83.08607	22.6
88.78699	1.9
91.05479	25.7
93.07037	27.6
95.04951	32.9
95.08598	16.6
97.06519	9.9
97.10152	3.4
105.07022	26.4
107.04931	10.9
107.08581	19.3
109.06499	13.8
109.10163	6.7
111.08050	2.2
117.07011	12.7
119.08562	23.1
121.06521	5.0
121.10107	10.6
123.08099	4.3
123.11662	2.7
125.09570	2.7
129.06953	2.9
131.08559	12.5
133.06525	2.2
133.10092	16.9
135.08057	7.1
135.11662	7.9
137.09627	4.3
140.60117	2.4
145.10086	18.6
147.08022	3.1
147.11717	14.3
149.09604	17.3
149.13321	3.2
151.11154	3.0
155.08592	3.7
157.10095	3.2
159.11710	7.6
161.13245	3.6
163.11183	24.6
165.12656	4.1
169.10054	3.2
173.13217	3.5
177.12744	3.6
187.11223	2.5
189.11201	2.6
223.13264	17.8
229.19550	4.1
239.17973	4.8
247.20503	2.7
257.19049	9.5
275.20032	100.0
293.21094	54.2
354.38110	3.0
437.27350	2.5
513.47559	2.7
586.99579	2.7
621.27032	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	620.2212
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45027	0.2
53.03939	1.0
54.76130	0.2
55.01861	0.9
55.05502	0.7
57.03430	1.1
57.07068	2.4
59.04988	0.6
60.52458	0.2
61.02922	1.2
66.04038	0.2
67.05495	0.7
69.03423	5.2
69.04617	0.2
69.07055	1.4
70.04067	100.0
70.06577	0.6
70.35030	0.2
71.01346	1.0
71.04982	1.1
72.00220	0.2
73.02910	0.8
78.01785	0.2
79.05478	0.3
81.03410	4.4
81.07050	1.1
83.04964	0.6
83.08611	0.8
85.02894	13.1
85.06490	0.2
91.03947	0.5
91.05481	0.6
93.07034	0.7
95.04960	0.7
95.08604	1.0
97.02880	7.0
97.06528	0.3
99.04443	2.6
99.08081	10.5
103.03933	0.2
105.07034	0.4
107.04981	0.3
107.08588	0.3
109.02862	9.3
109.06487	0.2
109.10148	0.5
111.04443	0.7
111.08091	0.5
113.09677	0.3
115.03930	0.4
117.09108	6.0
119.08588	0.4
121.10161	0.4
123.04407	2.0
123.08094	0.2
125.02348	0.5
125.09609	0.3
127.03898	15.6
129.05473	0.3
133.10114	0.3
135.08026	0.2
137.09613	0.2
139.03865	0.2
141.09157	0.2
145.04945	4.4
145.06079	0.3
150.40320	0.2
157.04973	0.4
159.10156	2.9
159.11444	0.3
161.09628	0.3
163.06049	0.8
165.09151	0.8
167.06981	0.3
171.10143	0.4
179.10605	0.4
183.10147	1.9
187.05914	0.2
189.11227	0.2
195.10149	7.6
197.11758	0.2
209.07327	0.3
225.11205	7.1
227.08333	2.0
232.09274	1.3
243.12265	4.0
243.14568	0.3
261.13306	2.6
271.08243	0.7
289.09210	0.5
325.11862	0.5
326.12100	0.5
458.16498	0.9
494.13760	0.2
620.22076	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	620.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03422	3.4
61.02921	1.4
62.85212	1.3
69.03410	1.6
69.55128	4.0
69.55551	9.1
81.03398	2.7
85.02890	4.6
91.05471	2.0
94.02916	2.2
95.04922	1.5
106.91330	1.4
107.04942	2.2
109.02860	4.6
121.06501	1.6
130.47736	1.6
135.04404	10.0
137.02328	37.4
151.03893	1.5
161.02330	6.4
163.03870	1.8
165.01910	2.5
171.04436	1.7
173.02396	3.1
175.03862	2.5
177.01869	2.5
179.03421	3.5
189.01814	10.8
191.03360	7.6
195.02875	7.3
197.63470	1.5
201.01761	2.6
201.05492	1.6
203.03339	11.7
205.04935	1.5
207.02794	8.5
209.04440	2.0
217.01320	2.0
217.04893	8.1
219.02931	7.7
221.04408	5.9
227.03404	2.9
229.01306	1.7
229.04865	3.4
231.02892	1.5
241.04863	1.9
243.02904	2.0
245.04399	2.4
254.04622	1.8
255.02872	3.4
257.04504	3.3
267.06445	1.8
269.04370	2.1
273.03842	2.2
275.05493	1.5
282.03961	2.9
283.05948	5.1
284.06744	5.7
285.03821	1.4
295.06119	8.4
296.06812	1.7
297.07565	3.9
298.04761	5.3
299.05493	19.4
300.06161	11.3
307.05887	2.7
309.07547	5.8
310.04681	18.2
310.08023	2.9
311.05453	73.1
312.06296	8.3
313.06967	13.7
315.04990	1.7
321.07599	3.2
323.05487	74.2
323.08887	4.0
324.06180	20.3
325.03622	1.9
325.07019	40.2
329.06583	4.8
333.07501	2.3
334.07996	1.4
335.05496	12.2
335.09039	2.3
336.06311	6.3
337.07047	39.1
337.11014	3.1
338.07669	9.9
339.04868	5.6
339.08624	4.3
341.06567	36.5
345.07516	2.0
349.07034	7.2
350.07718	2.8
351.04910	6.4
351.08615	28.6
352.05704	5.5
352.09274	2.5
353.06494	50.4
354.06799	1.8
355.08118	7.6
359.07504	2.3
361.06931	4.6
362.06824	5.4
363.04849	1.5
363.08710	12.4
365.06442	20.5
365.10184	2.1
366.07083	3.4
367.08145	9.8
369.05878	2.7
371.07495	7.2
372.08585	5.3
373.07022	3.0
375.08688	2.7
376.05643	2.6
377.06393	15.6
378.06717	1.6
379.08203	16.9
380.07742	2.6
381.09711	4.0
383.07599	22.6
388.08188	1.5
389.06378	7.5
390.06247	8.7
391.08139	9.9
393.05875	3.9
393.10071	2.3
395.07602	17.5
397.09186	5.2
401.08795	6.7
403.07965	7.3
406.09256	10.2
407.07474	18.2
409.09189	2.3
411.10919	1.9
416.07639	14.6
417.05783	6.9
419.07568	12.4
420.07574	3.4
421.09268	2.2
425.08594	35.8
426.09790	1.6
431.07584	4.0
434.08676	51.4
435.07452	1.9
437.08731	13.3
446.08475	8.4
449.08658	8.7
449.13937	1.5
452.09744	53.8
455.09570	9.2
458.10562	4.7
460.10211	3.4
464.09692	4.8
467.09735	14.0
470.10812	70.4
473.10684	4.3
474.11761	5.6
482.10764	34.8
484.09900	3.4
485.10867	7.5
488.09711	4.7
492.12589	1.9
500.11804	59.8
503.11685	4.0
506.10794	11.6
512.09656	3.5
518.10388	3.3
521.11072	2.4
524.11829	100.0
525.12390	2.6
530.10632	9.0
536.11853	16.4
548.04181	1.4
548.11755	29.5
554.12836	58.7
566.04254	2.2
566.12927	40.2
584.13947	68.2
585.13373	2.3
602.14984	41.1
620.15881	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	620.1599
Annotation	Unknow
Peak:m/z	Relative Intensity
69.48622	21.1
74.11504	2.1
85.02887	2.3
98.21490	5.3
109.02901	2.9
135.04401	8.8
135.23395	2.1
137.02335	37.8
137.03362	3.9
161.02316	4.6
175.03856	2.6
177.01785	3.1
179.03397	2.9
187.03911	2.9
187.89917	2.3
189.01836	9.8
191.03372	7.8
195.02892	5.1
199.03920	2.5
201.01775	2.9
203.03377	13.7
207.02893	11.8
215.03468	3.0
217.01314	3.5
217.04901	5.7
219.02850	5.5
221.04501	4.7
229.04991	4.7
231.02997	3.1
245.04474	4.5
254.04482	3.3
255.02939	2.8
257.04434	4.0
269.04233	2.6
270.05334	2.3
282.04205	3.2
283.05923	3.8
284.06784	2.5
295.06042	8.5
296.06976	3.3
297.07440	5.1
298.04626	3.9
299.05576	13.5
300.06256	9.5
309.07498	4.7
310.04623	23.0
311.05441	62.4
312.06119	7.8
313.07040	10.6
314.32779	2.5
323.05472	75.0
324.06238	26.5
325.07053	29.8
329.06381	4.6
335.05429	11.0
336.06296	9.0
337.07001	35.0
338.07700	10.1
339.04852	4.1
339.08606	5.7
341.06549	39.7
349.07031	9.2
351.04837	10.4
351.08606	20.0
352.05588	7.2
353.06522	48.7
354.06848	3.9
355.08014	6.8
361.07043	5.9
362.06903	3.2
363.04648	3.4
363.08661	11.8
365.06500	25.0
367.08154	8.6
369.05988	4.4
371.07571	4.4
372.08374	5.1
373.07156	4.0
377.06387	15.2
379.08047	9.8
381.05670	4.6
383.07422	13.2
389.06546	11.0
390.06177	9.5
391.08136	8.7
393.05862	5.3
395.07602	14.3
397.09390	4.0
401.08038	3.4
403.08264	4.6
406.09323	6.7
407.07559	16.2
408.07138	3.4
416.07690	12.3
417.06149	7.4
419.07480	8.9
420.07297	3.5
425.08621	25.1
428.07526	2.9
431.07126	2.7
434.08621	45.9
437.08572	10.6
442.08987	3.7
446.08682	15.4
447.07410	3.4
449.08279	4.4
452.09824	33.5
455.09521	7.1
460.09988	4.0
464.09558	12.3
470.10855	59.8
473.10779	3.7
474.11517	4.0
482.10831	63.6
485.10052	3.0
486.07959	3.0
488.09851	4.9
500.11859	75.6
506.10574	15.4
512.09888	4.4
518.10840	3.2
524.11810	100.0
530.10626	5.8
536.11737	11.9
548.11981	23.4
554.13007	47.3
566.12891	41.9
584.13965	67.1
602.14905	45.0
620.15833	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	619.2852
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04148	0.6
55.05505	8.7
57.03437	4.8
57.07050	1.9
66.55465	0.7
67.05499	18.4
69.07059	11.7
71.33181	1.5
71.33542	0.6
79.05482	4.9
81.07047	16.8
83.08598	6.1
86.59224	0.7
91.05476	4.1
93.07043	4.1
95.08591	12.6
97.06509	1.0
97.10137	2.3
105.07006	2.7
107.08554	2.7
108.02045	0.7
109.10143	5.5
111.08022	0.8
118.68125	0.7
119.08554	1.5
120.96594	2.0
121.10126	3.0
123.11659	1.1
125.09579	0.7
133.10100	2.2
147.11723	1.2
156.97437	1.7
174.98541	2.4
176.99301	0.9
198.98572	1.1
201.00002	1.1
203.05263	5.5
207.16644	0.7
213.00075	3.1
216.99522	0.9
231.01021	0.8
265.00964	4.0
283.01877	100.0
301.01822	2.9
324.04459	2.8
337.27344	25.7
357.05112	1.3
377.26413	0.9
439.22137	1.6
619.28308	20.7
619.38251	1.0
620.28448	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.2754
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13389	0.2
52.15200	0.2
55.01871	0.2
55.05043	0.2
55.05496	0.5
55.34533	0.2
61.02908	0.3
65.43373	0.2
67.05494	0.9
69.03415	0.5
69.07082	1.0
69.07385	0.2
70.06576	0.9
71.48485	0.3
72.08133	0.4
77.09025	0.2
79.05467	0.6
81.03397	0.7
81.07050	1.1
82.31628	0.2
83.04942	0.3
83.08614	0.5
84.04500	0.3
84.08118	0.4
85.02908	0.6
89.06056	0.2
91.05454	1.0
93.07027	0.9
94.06533	0.2
95.04943	0.5
95.08607	0.7
97.02884	0.3
105.06989	0.4
107.08578	0.4
108.08126	0.2
109.06516	0.3
109.10140	0.6
110.07147	0.3
111.07979	0.2
116.07050	0.7
119.08575	0.5
120.08089	0.3
121.10088	0.3
122.06041	0.4
122.09635	0.3
122.48122	0.2
127.03922	0.3
129.06985	0.3
130.06479	0.3
131.08514	0.5
133.10106	0.6
134.05978	0.3
135.04352	0.3
135.08046	0.2
136.07564	0.5
137.05939	0.2
138.05449	0.3
143.08536	0.3
145.05093	0.3
145.10056	0.4
146.05994	1.5
147.04384	0.2
148.07584	0.4
163.06187	0.3
163.14896	0.2
164.07068	0.6
165.09091	1.0
167.07065	0.4
168.08073	0.4
169.08829	0.6
170.08253	0.2
170.09601	0.3
174.09119	2.4
180.05083	0.2
180.06551	0.3
182.08348	0.5
182.09756	0.3
183.09119	0.7
184.09785	0.3
184.11131	0.5
185.08397	1.6
185.10738	0.4
187.89154	0.2
195.09143	1.3
196.09912	2.5
197.08417	0.6
197.10719	1.0
198.09149	0.9
198.11446	0.4
199.08585	0.6
200.10852	0.3
208.09941	0.4
209.06979	0.4
209.10652	1.3
210.07828	0.7
210.11540	0.9
211.08617	1.8
211.12233	1.2
212.10782	10.2
213.08365	0.2
213.10091	1.4
214.10976	1.3
215.43468	0.2
221.10794	0.2
222.11484	0.3
223.08585	1.3
223.12106	1.1
224.09442	2.2
224.13087	0.4
225.10188	5.3
225.13753	0.3
226.10927	2.3
227.08170	0.5
227.11736	1.5
229.13431	0.3
232.68541	0.2
235.08429	0.4
235.12428	0.3
236.09479	0.7
237.06505	0.6
237.10205	4.8
238.11009	1.8
239.11778	7.7
240.12534	2.6
241.09706	3.0
241.13348	4.6
242.10442	3.2
243.11241	0.8
251.08176	0.6
251.11794	3.1
252.08954	0.9
252.12541	3.9
253.09779	1.1
253.13359	2.3
254.10487	4.2
255.07617	0.3
255.11217	1.7
257.12854	0.8
265.09747	1.3
266.10452	0.6
267.11261	11.0
268.11969	0.3
269.12799	0.4
270.10226	0.6
270.13773	0.5
271.10782	1.9
272.11584	0.3
279.11224	1.7
280.12042	16.2
281.12802	1.6
282.09943	0.5
283.10687	1.1
285.12320	7.5
297.12350	4.7
299.13873	2.0
301.11786	2.9
303.13327	1.1
308.09305	0.5
310.09378	1.3
315.13361	0.7
325.11792	100.0
326.12134	1.5
343.12885	4.8
353.13724	0.3
420.18918	0.4
436.18839	0.4
454.19272	0.3
479.20206	0.2
494.44885	0.2
565.24554	1.1
573.27350	0.3
583.16101	0.4
583.25476	7.2
601.26538	2.1
619.27838	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.2012
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.8
55.01861	1.8
57.03436	1.8
61.02930	1.3
64.25531	0.8
68.99796	1.1
69.03422	11.8
70.06597	5.2
71.04986	2.1
73.02907	2.5
76.57136	0.8
78.04702	2.9
79.05487	10.3
81.03409	11.5
81.07042	1.7
84.08137	1.5
85.02899	14.6
86.09686	2.2
87.00815	6.2
91.05473	5.4
95.04982	1.4
97.02915	6.8
99.04440	3.6
103.05455	4.6
104.06236	1.1
105.01841	5.4
105.07029	9.3
107.04942	20.5
109.02863	8.8
115.05424	5.0
117.01747	1.1
117.07011	3.0
118.04151	1.2
119.08582	4.0
121.06534	0.9
122.03710	1.1
123.04417	5.5
124.05211	5.5
125.06002	2.2
127.03910	11.9
128.06229	2.6
129.06956	4.9
129.10217	1.1
130.04077	1.0
131.04930	5.5
132.05734	4.1
133.06468	7.7
137.05956	3.3
141.06998	2.2
143.04887	1.1
144.05672	1.6
145.04922	2.6
145.06454	2.1
147.04408	1.6
147.08017	5.7
149.05885	1.6
152.04706	3.3
153.05469	1.2
156.05801	1.2
157.06522	1.0
159.02827	4.2
159.08014	4.3
160.05203	3.4
160.09673	1.0
161.05975	12.0
167.07027	100.0
168.07370	1.1
169.06465	3.0
171.08076	2.2
173.06129	1.1
175.07533	58.3
176.04677	1.9
176.07860	1.0
177.05405	1.6
178.07768	1.1
181.06487	1.1
184.05196	2.6
187.07547	9.6
189.06996	2.1
189.08969	1.2
190.07809	3.2
191.07027	15.2
191.08577	1.1
192.07793	1.1
193.08597	26.6
199.07535	17.8
201.09062	5.3
202.02893	0.9
202.07747	1.8
203.08594	4.7
204.09276	1.2
205.06494	1.6
205.10056	1.8
206.07169	1.0
207.07994	2.0
215.08650	5.1
218.07259	9.3
219.08083	3.6
220.08705	1.3
221.09627	3.0
224.12445	1.0
225.05470	1.2
229.06541	3.3
231.05020	2.5
231.08043	5.5
232.08833	3.2
233.09622	10.5
234.06703	2.4
235.07520	5.2
243.08017	1.8
245.06004	1.8
245.09511	1.2
246.06708	6.6
247.07545	4.0
249.06699	1.0
249.09016	5.9
250.09904	2.0
257.05997	2.6
258.06766	1.3
259.07574	3.4
260.08273	4.7
261.09039	16.5
262.09741	1.9
263.06982	6.3
265.08594	1.4
266.09253	1.0
267.09998	1.1
271.07483	0.9
273.09070	1.1
274.06216	3.9
274.09201	1.0
275.06952	4.0
275.10544	0.8
276.07669	1.4
277.08511	6.8
278.09244	6.0
279.10071	1.5
281.11780	2.6
288.07828	2.1
289.08572	13.8
290.06360	0.9
290.09232	4.5
291.06567	2.4
291.10004	2.7
292.07449	1.2
292.10626	1.8
293.11618	8.3
295.09637	2.3
305.08014	2.7
306.08774	6.6
307.09555	6.2
309.11200	3.7
310.11868	1.2
313.07199	1.3
319.09534	1.4
320.10352	1.4
321.11191	20.9
322.11761	4.2
323.08997	3.9
323.12473	1.1
325.14386	2.6
338.11517	4.3
341.13846	12.8
351.12393	1.5
353.13785	73.3
354.14276	1.2
355.15512	4.5
395.14395	1.1
579.34583	0.9
643.09711	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.2015
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38446	1.0
53.03930	3.9
55.01854	3.4
57.03421	2.6
59.03101	1.0
61.02901	1.8
63.01224	0.9
63.56128	1.0
65.03918	1.0
67.05475	1.9
69.03425	13.0
69.07054	1.1
70.06569	3.9
71.04972	2.8
71.73517	1.2
73.02909	2.4
78.04704	3.3
79.05487	10.7
81.03410	14.4
81.07020	4.7
84.08131	1.0
85.02900	21.2
85.06549	1.1
86.09695	1.4
87.00801	7.8
89.05984	1.1
89.19051	0.9
89.57491	0.9
91.05463	6.4
95.04958	4.4
95.08595	3.4
97.02895	8.4
99.04440	5.2
102.05548	1.1
103.05473	4.0
104.06221	1.1
105.01852	4.6
105.03359	2.0
105.07011	11.3
106.04151	1.5
107.04945	21.2
107.08588	1.4
109.02859	8.9
109.06436	1.1
109.10129	1.8
110.09713	1.0
111.04434	1.1
115.05453	6.7
117.01804	2.4
117.06995	3.6
118.04141	2.1
118.24216	1.1
119.08574	5.7
120.08072	1.7
121.06479	1.9
123.04422	6.5
124.05191	5.9
125.05962	3.0
127.03910	13.9
128.06184	4.4
129.01823	2.4
129.06993	6.0
129.07832	1.2
130.04118	1.2
131.04921	7.4
131.08536	2.8
132.05664	5.0
133.06485	9.4
135.08011	1.1
136.07564	1.6
137.02353	1.0
137.05968	1.2
141.06982	2.8
145.04938	2.5
145.06467	2.1
145.10100	1.3
146.05972	1.5
146.07318	1.0
147.04303	1.5
147.08058	8.0
148.05078	1.4
151.03955	2.0
152.04671	3.7
152.10698	1.0
153.05447	1.3
156.05597	1.5
157.06410	1.1
159.02911	5.1
159.08067	4.8
160.05176	4.3
161.05986	10.7
161.09686	1.0
163.07584	1.2
165.09077	2.4
167.07027	100.0
169.06450	3.3
171.08044	3.5
173.06020	0.9
175.07532	59.6
176.04672	2.7
176.07768	2.1
179.07045	1.3
179.08472	1.5
184.05171	2.5
186.06709	1.2
187.07524	9.4
189.07018	2.6
189.09099	1.9
190.07751	5.1
191.07027	17.3
191.08682	1.6
192.07597	1.3
193.08592	27.8
199.07538	19.2
201.07278	1.3
201.09105	3.9
202.07774	2.8
203.08607	6.1
205.06442	1.2
205.10132	2.0
206.07281	1.5
207.08044	2.1
209.08029	1.5
215.08548	6.3
217.08495	1.5
218.07253	7.0
219.08011	5.2
220.08508	1.0
221.09523	2.3
229.06458	3.0
231.08011	4.4
232.08842	4.5
233.06021	1.1
233.09615	9.7
234.06744	1.9
235.07544	7.8
238.73756	1.1
243.08147	2.3
245.05902	1.2
246.06789	8.1
247.07510	3.6
248.08337	1.7
249.09081	6.2
250.09857	3.3
251.06793	1.0
257.05927	3.1
258.06818	1.4
259.07458	3.0
260.08340	6.1
261.09085	16.6
262.09604	2.0
263.07001	5.9
263.10233	1.9
264.07736	1.8
265.08405	1.7
273.09058	1.2
274.06198	4.2
275.06918	3.5
275.10617	1.4
277.08640	5.3
278.09232	5.3
279.10217	1.4
281.11798	4.4
287.07065	1.4
288.07813	2.0
289.08536	12.7
290.09305	5.0
291.06451	3.5
291.10013	2.7
292.07272	2.2
292.10657	2.2
293.11624	8.7
295.09732	3.0
303.10132	1.4
305.08105	2.3
306.08875	7.7
307.09537	5.7
309.11057	4.7
310.60580	1.0
319.09521	1.4
320.10361	1.1
321.11206	27.6
322.11868	5.7
323.09039	4.0
325.14355	2.3
333.11469	1.4
338.11423	3.4
341.13870	13.6
351.12073	1.2
352.12555	1.3
353.13782	71.7
354.14038	3.4
355.15430	6.9
363.12006	1.5
584.14185	1.3
619.29730	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	619.2015
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	3.0
55.01857	3.4
57.03421	1.8
61.02911	1.1
65.03923	1.1
68.99796	1.6
69.03423	10.7
70.06577	2.4
70.93730	2.5
73.02880	1.9
78.04695	3.4
79.05485	10.5
80.98904	1.0
81.03417	11.5
81.07069	1.3
85.02901	13.5
86.09681	0.8
87.00820	5.9
88.56555	0.8
91.05458	5.6
95.04965	2.7
97.02891	6.6
98.20724	0.9
99.04477	3.6
103.05429	3.9
104.06264	0.9
105.01852	3.8
105.07026	11.2
106.04151	1.0
107.04948	17.2
109.02872	10.1
115.05457	6.2
117.01855	0.9
117.07008	2.8
118.04140	1.9
119.08541	2.4
121.06477	1.6
123.04420	5.6
124.05173	4.3
125.05971	1.6
127.03915	11.5
128.06241	3.8
129.01862	1.6
129.06998	3.9
130.04079	0.9
131.04930	4.5
131.08577	0.8
132.05710	5.0
133.06517	7.2
137.05960	2.5
141.06984	2.5
144.05661	0.9
145.04922	3.2
145.06471	2.1
147.04399	1.7
147.08026	5.6
148.05159	1.0
149.05940	1.0
152.04634	2.4
153.05402	1.4
156.05640	1.3
157.06506	1.3
159.02904	3.8
159.08058	2.6
160.05220	2.6
161.05980	9.3
163.07495	1.3
167.07024	100.0
168.07382	2.3
169.06464	2.8
171.08032	3.1
172.05128	1.0
175.07536	55.8
176.04704	2.1
176.07800	0.7
177.05502	1.4
179.06972	1.2
179.08438	0.9
184.05254	2.5
185.05902	0.8
187.07509	8.5
189.06976	2.4
189.09143	1.7
190.07726	3.7
191.06998	13.1
191.08508	1.6
193.08597	27.2
199.07513	15.7
200.59676	0.8
201.09096	6.2
202.07809	2.5
203.08562	4.6
204.09355	1.2
205.06586	1.2
205.10150	1.1
206.07297	1.7
207.08087	1.9
215.08525	4.6
217.08554	1.5
218.07253	5.4
219.08002	3.2
221.06267	0.8
221.09647	1.9
229.06520	1.8
231.04991	1.2
231.08046	3.6
232.08781	2.7
233.09666	7.6
234.06760	1.5
235.07562	4.8
243.08020	1.9
245.05998	1.4
246.06744	4.5
247.07533	2.8
248.08319	0.8
249.09158	3.8
250.09895	2.3
257.05862	2.0
258.06863	0.9
259.07501	1.6
260.08325	3.6
261.09103	10.6
262.09824	1.2
263.06967	4.2
264.07758	1.0
265.08527	1.3
274.06262	3.6
275.07065	2.2
275.10434	0.8
276.07877	1.0
277.08627	4.4
278.09335	3.1
281.11691	2.8
288.07706	1.2
289.08517	10.9
290.09250	4.1
291.06580	2.0
291.10159	2.2
292.07361	1.2
292.10825	1.4
293.11670	5.6
295.09546	1.8
305.07742	1.5
306.08838	3.6
307.09628	5.7
309.11154	3.9
321.11206	22.0
322.11874	5.8
323.09183	2.0
325.14285	1.8
337.10376	1.1
338.11484	3.6
341.13852	12.2
353.13812	50.3
354.13950	2.0
355.15329	5.0
365.13690	1.3
624.45978	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	618.4378
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	7.0
53.57707	3.3
54.36309	3.4
54.96565	3.2
55.01852	7.3
55.05508	43.8
57.07063	7.0
65.03901	5.0
67.05500	38.7
67.41619	3.3
69.03407	8.9
69.07053	14.4
69.84489	12.7
69.84896	11.1
79.05484	35.7
81.03407	7.8
81.07054	35.4
83.04974	12.4
83.08614	55.3
84.08928	5.8
87.04456	16.2
91.05476	35.6
93.07037	36.6
95.04965	36.5
95.08630	25.3
96.42866	3.5
97.06510	6.9
97.10188	8.5
100.33746	3.2
105.07034	30.2
105.48618	3.3
107.04949	15.5
107.08583	24.4
109.06514	9.6
109.10160	13.3
111.08090	4.3
117.07011	13.6
119.08559	29.0
121.06498	8.5
121.10151	19.3
123.08089	6.6
125.09609	11.1
129.06995	4.8
131.08546	17.0
133.10094	24.7
135.08044	7.4
135.11691	11.4
137.09610	7.4
143.08542	7.1
145.10098	25.0
147.08031	10.1
147.11664	13.3
149.09639	31.4
151.07658	5.4
153.09125	4.2
155.08580	8.5
157.10097	7.5
159.11716	10.2
161.09552	6.0
161.13271	6.9
163.11174	34.9
165.09068	4.5
165.12698	9.0
169.10126	4.2
171.11752	5.5
173.09657	9.3
179.10742	4.4
183.11690	5.3
189.11273	5.8
205.12251	3.8
207.71353	4.2
221.15341	12.7
222.13464	5.2
222.15739	4.8
223.13245	24.4
239.17867	11.1
239.25099	4.0
247.20581	6.3
257.19031	13.6
273.18445	11.2
275.20035	81.3
291.19537	100.0
293.21088	77.3
387.25653	3.8
618.41052	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	618.4271
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	7.8
55.01873	6.4
55.05264	6.1
55.05508	50.6
57.07053	7.1
64.43271	3.3
65.03928	4.9
65.27798	3.7
67.05498	50.3
69.03406	10.9
69.07062	25.0
71.04984	13.6
71.33898	9.1
78.62062	4.2
79.05484	39.3
81.07050	67.2
83.04967	17.4
83.08614	62.4
85.06546	9.9
85.62696	3.6
86.09682	7.0
89.67432	4.0
91.00691	4.4
91.05482	64.7
92.05772	4.4
93.07043	68.9
95.04972	35.7
95.08604	53.5
97.06519	21.9
97.10185	3.7
103.05479	6.5
104.10745	42.5
105.07023	100.0
105.07721	5.5
107.04961	9.4
107.08580	63.7
109.06526	19.7
109.10162	31.4
111.08061	6.0
113.09640	9.2
115.05462	9.0
117.07017	21.0
119.08570	83.9
120.24054	3.8
121.06483	12.4
121.10138	52.7
123.08061	26.7
123.11714	5.7
125.09646	14.7
128.06248	13.9
129.06973	19.8
130.07762	6.0
131.08554	60.8
132.09348	6.0
133.06398	4.9
133.10114	52.5
135.08046	14.4
135.11691	13.1
137.09645	9.4
139.11142	13.0
141.07013	10.9
142.07790	27.3
143.08540	59.6
144.09343	9.8
145.06487	6.4
145.10129	72.5
146.10849	4.2
147.08049	18.3
147.11644	27.4
149.09601	14.1
149.13321	6.7
151.07698	3.7
151.89580	3.8
153.07018	4.1
155.08531	24.1
155.10704	12.4
156.09348	23.7
157.10112	67.6
158.10844	12.3
159.08020	18.8
159.11658	37.3
160.08823	10.1
161.09612	15.4
161.13200	6.6
163.11168	11.7
165.07024	8.4
165.09100	6.0
167.08533	9.8
167.10619	20.7
168.09340	7.2
169.10097	39.4
170.10867	8.9
171.10172	6.5
171.11650	39.6
172.12357	6.5
173.09596	10.3
173.13242	18.7
175.11200	15.0
175.14815	4.6
177.12729	7.1
179.08542	15.1
179.14449	4.0
181.10173	21.1
181.12201	33.0
182.10904	15.0
183.11690	34.6
184.12456	6.7
185.09680	6.0
185.13249	26.4
187.11163	7.0
187.14847	10.9
190.13492	5.6
191.14294	9.5
192.09242	6.0
193.10129	13.6
194.10939	8.0
195.11649	25.5
196.12416	8.3
197.13248	39.9
198.13962	6.8
198.96689	7.8
199.11136	5.4
199.14848	14.6
201.12677	6.2
201.16489	4.7
203.05235	6.5
203.14317	6.0
204.14548	4.0
206.10873	7.4
207.11700	17.5
207.13666	7.0
208.12491	9.8
209.13261	23.1
210.13947	6.6
211.11234	6.7
211.14742	19.1
213.12787	8.8
213.16367	8.2
215.14371	19.8
216.97844	5.1
219.11604	4.0
220.12534	5.9
221.13245	17.2
221.15395	29.8
222.14011	5.7
222.73384	4.1
223.14868	20.5
225.12891	5.8
225.14832	11.3
229.15944	5.3
231.11682	8.4
232.12352	4.8
233.13237	5.0
233.15312	42.2
235.14771	11.6
245.13223	6.0
246.13969	6.4
247.14702	5.0
247.17003	6.4
249.16400	5.2
251.17865	6.3
255.17445	28.7
261.16306	8.8
263.18063	6.4
265.19522	6.5
267.17459	6.1
269.19009	8.4
273.18680	5.3
275.17917	5.4
277.19159	5.0
281.18842	6.6
282.19632	4.4
283.01834	46.4
285.18256	4.5
286.19284	5.0
287.19882	4.4
293.18600	4.3
295.20563	6.6
298.19400	4.1
299.20062	5.8
319.19891	3.8
337.20581	5.8
337.27457	7.5
365.24707	10.7
367.26086	3.9
373.25327	5.6
383.25836	13.2
457.31171	6.1
502.26636	5.4
558.28046	4.0
590.40863	4.2
608.25812	3.9
618.42517	13.0
619.28467	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	617.4407
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	6.2
55.05507	26.1
57.03442	3.1
57.07063	17.2
67.05495	46.9
69.03426	15.8
69.07063	32.7
70.17883	9.8
70.18292	4.8
70.50153	2.7
71.04986	2.7
78.98063	2.7
79.05492	23.6
81.03407	13.5
81.07045	100.0
81.52036	3.1
83.04975	7.8
83.08609	23.4
83.42848	2.8
85.02902	17.8
86.92666	2.7
87.04459	3.7
91.05475	35.0
93.07031	56.5
95.04967	13.8
95.08598	75.9
97.02911	13.1
97.03483	2.6
97.06524	6.3
97.10183	6.3
105.07021	51.4
107.04918	2.8
107.08582	63.1
109.02842	4.0
109.06507	10.1
109.10152	46.3
111.04411	7.6
117.07023	12.2
119.08569	42.7
119.28079	2.5
121.06439	3.1
121.10137	49.6
121.10999	5.1
123.08063	9.4
123.11693	74.1
125.06012	2.9
125.09591	2.8
127.03901	10.3
128.06223	3.5
129.07008	5.4
131.08565	25.5
133.06415	3.6
133.10112	45.2
135.07999	5.0
135.11688	20.7
137.09612	3.8
137.13239	13.6
139.85701	3.1
142.07756	5.8
143.08553	13.9
145.10104	31.0
147.08029	5.8
147.11674	24.1
149.09645	4.5
149.13277	13.1
151.07550	9.0
155.08499	5.0
156.09351	4.6
157.10138	13.9
159.11679	28.6
161.09601	5.8
161.13217	14.1
163.11176	5.7
163.14790	7.7
165.09100	6.3
167.10599	5.9
169.10188	7.6
171.11687	17.3
173.13240	15.7
175.14815	11.5
175.19954	2.4
177.16391	11.5
179.08479	2.8
181.10097	6.5
181.12215	4.0
183.11661	8.3
185.13191	8.7
187.14850	11.3
189.16423	6.9
195.10147	6.3
195.11761	4.4
197.09752	2.6
197.13152	6.2
199.14825	7.2
201.12735	3.7
201.16418	6.2
203.14337	3.5
203.17961	3.0
209.13203	4.6
211.14757	7.0
213.16281	5.4
215.17842	4.6
217.15962	2.8
221.15434	12.9
225.16426	3.6
239.17963	2.9
247.16878	3.1
257.19168	4.0
257.22620	3.0
259.20557	5.5
275.20020	3.5
306.12860	3.0
313.25137	4.0
315.26736	6.5
350.30658	3.1
437.37717	10.3
455.38773	5.5
457.29984	4.2
475.30408	5.2
477.32108	9.4
479.29855	2.9
493.31464	7.1
563.40619	3.8
581.41791	9.5
599.43030	36.8
617.43756	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	617.4193
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	6.5
55.05509	42.3
57.07057	14.0
59.04979	7.4
67.05508	30.1
69.03421	11.4
69.07055	7.5
69.58298	17.1
69.58727	24.9
76.86714	4.2
79.05471	16.7
81.07044	28.5
83.04970	15.3
83.08599	54.9
85.06525	6.3
87.04464	6.4
89.69276	4.8
91.05476	33.5
93.07040	42.3
95.04942	14.8
95.08601	31.0
97.06534	18.5
98.21431	8.5
105.07005	45.7
107.08586	46.1
109.06496	13.8
109.10122	18.4
111.08086	6.8
113.09622	7.9
117.07000	14.1
119.08563	49.4
121.06516	5.1
121.10125	29.0
123.08056	29.6
125.06003	4.5
125.09618	18.9
128.06194	6.0
129.06921	6.6
131.08557	35.4
133.10098	24.1
135.08009	9.1
135.11696	7.0
137.09601	16.9
139.11153	10.4
142.07761	14.0
143.08545	21.9
144.09317	7.0
145.10143	44.6
147.08006	14.5
147.11639	12.0
149.09564	12.1
151.07492	20.8
155.08574	8.8
155.10637	6.7
156.09340	7.8
157.10056	26.1
158.10748	5.0
159.08075	8.1
159.11620	21.5
161.09593	10.1
161.13272	8.9
163.11154	10.0
165.09090	45.5
167.08609	6.4
169.10086	15.9
171.11714	13.9
173.09634	8.5
173.13199	7.6
181.10046	6.5
181.12230	19.8
183.11691	12.7
185.13210	12.6
189.12746	8.9
193.10216	6.0
195.11697	13.7
196.12402	5.4
197.13257	20.4
201.12650	6.4
203.14297	14.6
203.41176	4.7
207.11784	9.0
207.13695	7.7
209.13289	8.1
211.14731	6.8
221.15326	100.0
223.14822	14.7
237.16312	5.9
247.16965	9.7
271.17081	5.3
281.18875	5.7
286.19278	6.9
287.20010	9.9
299.20081	8.4
300.20767	6.7
313.21637	6.9
355.60074	4.9
365.24515	5.8
391.26346	8.4
431.29492	5.1
525.35504	6.2
537.35437	4.8
581.39673	5.7
599.40533	15.1
617.42041	35.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.4191
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	9.5
55.01888	8.7
55.05503	75.8
57.07066	50.5
59.04997	20.1
63.78225	8.2
63.90859	7.9
67.05492	64.5
69.03414	14.2
69.07064	33.7
69.91051	19.2
69.91457	43.9
71.04984	14.1
71.08619	34.5
73.55272	6.9
78.90910	7.6
79.05495	51.1
81.07052	58.7
83.04969	24.5
83.08613	100.0
85.06510	10.8
85.10173	20.1
87.04475	24.3
89.06018	34.7
90.65348	7.8
91.05472	62.0
92.14629	7.1
93.07035	78.7
95.04953	47.0
95.08599	63.2
96.08942	10.6
97.06519	51.3
97.10176	9.4
97.35307	7.1
105.07017	87.3
106.07304	7.4
107.04919	12.7
107.08581	90.0
109.06517	37.7
109.10157	38.3
111.08090	13.4
113.09634	22.1
115.05439	11.9
117.07013	21.0
119.08571	82.6
121.06480	20.2
121.10125	45.3
123.08041	25.5
123.11666	10.7
125.09623	30.8
128.06209	16.5
129.07004	23.0
131.08548	46.9
133.08554	18.7
133.10115	51.7
135.08107	12.9
135.11639	18.1
139.11176	29.5
142.07771	16.4
143.08565	46.3
144.09312	12.7
145.10118	69.7
147.08057	13.3
147.11679	24.1
149.09615	12.4
153.12692	10.0
155.08527	14.3
155.10664	19.6
156.09291	15.0
157.10095	57.5
158.10596	14.5
159.08047	30.7
159.11690	32.5
161.09575	14.1
161.13272	9.0
163.11185	8.0
165.07025	10.7
167.08598	9.5
167.10677	28.2
169.10146	21.9
171.11670	27.5
173.09660	14.0
173.13245	25.3
175.11241	9.7
179.08522	17.4
179.14349	11.3
181.10120	11.3
181.12256	46.5
181.85327	7.7
183.11633	18.7
185.13374	13.9
186.13882	9.2
187.11107	13.1
187.14778	10.7
189.12683	13.9
193.10146	15.6
195.11678	23.3
195.13916	15.4
196.12369	10.4
197.13266	21.8
199.14789	18.0
201.12640	12.7
203.14302	12.1
207.11670	19.4
207.13745	9.8
208.12260	12.7
209.13246	26.6
211.14763	14.0
215.48085	8.0
217.15865	9.8
221.13326	13.6
221.15349	21.8
223.14879	17.0
233.13200	12.4
233.15393	26.4
234.15906	9.9
237.16301	10.0
247.14581	14.0
247.17072	9.2
249.16208	8.5
255.17424	8.2
269.19092	8.6
273.18515	13.9
299.20038	10.3
381.24167	11.8
599.40625	18.4
617.23474	29.0
617.41394	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	616.4626
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	2.7
57.07071	46.4
59.05000	16.9
59.49550	0.6
60.37554	0.7
63.30442	0.6
65.02166	0.6
67.05511	3.3
69.07066	2.7
69.74524	4.0
71.08626	87.5
73.06541	3.4
79.05483	1.6
79.36495	0.7
81.07042	2.0
83.08614	1.8
85.06540	0.6
85.10175	45.0
87.04462	11.9
89.06024	100.0
91.05462	2.2
93.07028	2.0
95.04977	2.0
95.08578	1.6
97.06557	1.1
97.10167	1.6
103.07572	6.5
105.07003	1.6
107.07055	4.7
107.08597	1.4
109.10171	1.0
114.85302	0.7
116.96809	0.8
117.07047	0.8
117.09120	2.9
119.08552	1.4
119.38090	0.6
121.10177	0.8
127.14827	5.2
130.02260	0.6
130.08641	3.3
131.07022	3.9
131.08614	0.8
133.08597	71.4
135.10165	0.7
141.16364	0.7
143.08551	0.7
145.10083	1.3
157.10126	0.6
171.11671	0.8
175.09639	3.6
177.11208	27.3
181.12199	0.7
185.18987	6.6
195.12190	0.9
221.13638	3.8
221.15614	1.3
226.10922	0.9
229.21642	4.0
239.14793	2.1
265.16476	1.0
283.17456	2.3
327.20004	2.4
348.98407	0.7
371.22797	3.0
375.22269	0.7
397.24390	0.8
404.02127	0.7
415.20074	0.7
415.25351	10.9
437.15283	0.8
455.28485	1.3
459.28009	1.0
599.43213	1.1
616.17206	1.5
616.37689	1.1
616.45874	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	616.2894
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.7
55.01866	4.2
55.05507	15.9
57.03421	2.2
57.07051	1.2
58.99576	4.9
59.05009	1.2
61.02919	0.6
67.05495	12.9
67.29929	0.6
68.21188	0.7
69.03416	4.9
69.07058	12.6
69.78503	3.4
69.78916	1.4
70.06572	2.2
71.04965	2.0
73.02881	1.1
76.02221	28.2
76.03983	1.4
79.05488	16.6
81.03412	35.9
81.07049	26.7
82.07370	0.9
83.04976	14.0
83.08612	17.7
84.04504	8.1
84.08136	1.5
85.02913	3.6
85.06534	1.7
86.09689	0.7
86.99059	1.2
87.04456	0.7
89.06033	3.9
91.05476	15.4
93.07037	11.4
95.04961	16.9
95.08598	10.0
97.02882	2.1
97.06516	2.5
97.10168	7.6
99.04426	1.0
99.08082	1.5
105.07018	11.3
107.04934	4.2
107.08578	7.1
109.02834	1.9
109.06511	3.6
109.10149	4.9
111.04417	2.5
111.08086	7.7
115.05424	0.9
116.01675	7.9
116.07004	0.8
117.06985	3.6
119.04886	0.8
119.08569	13.9
121.06484	3.0
121.10121	6.2
123.08063	5.9
123.11707	1.6
125.09613	5.3
125.13223	1.4
127.03841	0.8
129.07021	4.6
130.04990	4.6
131.08551	8.8
133.06500	2.3
133.08553	2.1
133.10133	6.8
135.08043	2.2
135.11653	2.5
135.72765	0.8
137.05933	1.1
137.09595	4.4
142.03191	2.7
142.07736	1.3
143.08543	2.1
144.01088	3.2
145.06096	2.3
145.10120	4.2
146.05910	0.8
147.08025	4.8
147.11674	5.9
149.09624	3.9
151.11079	1.2
153.12717	1.2
155.08615	1.1
157.10121	8.6
159.08002	1.3
159.11624	1.8
161.09599	1.5
162.02182	15.0
163.11145	2.3
165.09081	1.5
165.12737	1.8
167.07080	1.2
169.10138	0.8
170.02661	1.1
173.11740	1.1
173.13139	1.2
174.80724	0.7
175.11165	8.2
177.03230	1.5
179.04848	31.2
181.12292	0.9
187.05389	1.0
189.09494	0.6
189.11234	3.9
189.12721	0.9
193.12222	32.0
194.12505	0.7
195.12199	1.9
209.13754	1.3
211.13280	100.0
212.13657	1.2
215.04897	0.9
219.69698	0.8
223.13318	3.9
227.12762	0.9
233.05928	7.9
239.12914	0.9
245.05922	1.9
245.19016	0.7
249.14909	1.2
255.17299	1.0
273.18518	7.2
275.20078	0.7
291.06448	1.0
291.19525	30.4
308.09094	32.3
309.20605	3.6
333.26279	6.1
351.27567	1.6
443.05487	0.7
451.21478	0.7
459.91025	0.7
469.22409	2.4
616.29694	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	616.2889
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.1
53.53378	0.7
55.01865	4.6
55.05230	0.9
55.05500	10.7
56.05020	4.4
56.05259	0.7
57.03421	1.6
58.99578	12.9
61.01136	0.8
65.03928	1.5
67.05495	20.4
69.03407	3.1
69.07058	8.8
70.02940	18.9
70.06562	2.8
70.09679	4.2
71.04967	4.8
72.04513	0.8
73.01124	1.5
74.00649	5.0
74.02415	2.5
76.02215	41.0
76.03986	8.1
79.05484	13.0
80.05006	1.4
81.03391	2.9
81.05739	0.8
81.07042	26.5
82.06555	1.1
83.04976	4.5
83.06077	3.6
83.08596	5.5
84.04488	14.9
84.08117	1.6
85.01089	1.4
85.02881	1.8
85.04013	1.0
85.06523	2.5
86.00630	2.5
86.09698	1.5
86.99042	4.7
87.02663	0.9
88.02184	2.9
88.03952	1.3
91.04912	1.5
91.05465	21.2
93.07028	17.0
95.04961	6.7
95.08585	11.0
97.01099	5.3
97.02864	1.1
97.06507	3.0
97.10146	1.5
98.00609	0.9
98.09654	2.2
99.02656	0.9
99.04439	1.5
99.05569	7.5
99.08083	1.1
100.02184	1.9
101.00573	1.0
102.00119	4.7
103.04992	0.9
105.07010	18.6
106.46446	0.7
107.04941	4.2
107.06065	0.8
107.08575	14.1
108.04491	1.0
108.08052	0.8
109.06506	2.9
109.07623	1.4
109.10135	25.1
110.06024	1.5
110.09677	1.4
111.02665	1.7
111.08063	3.2
112.02162	3.0
112.03979	0.8
113.00534	1.0
113.04204	1.5
113.05998	1.2
114.00091	2.7
114.03723	1.8
115.07526	0.8
116.01660	23.0
116.03430	3.0
116.07108	0.9
117.06952	2.9
119.08568	6.9
121.06475	3.3
121.10117	3.5
123.02600	0.9
123.08056	2.3
123.11678	3.1
125.04192	2.3
125.07111	1.0
125.09611	1.0
126.03794	1.2
127.02110	1.1
127.04937	0.8
127.07487	1.0
128.01633	2.3
129.06534	3.8
130.04984	8.5
131.08530	4.8
133.06480	0.8
133.10106	28.0
134.09590	1.2
134.10521	1.0
135.05504	0.9
135.08057	6.1
135.11687	3.7
136.11246	0.9
137.04126	0.9
137.09595	3.2
139.07497	0.9
140.01610	0.9
140.46921	0.8
141.04837	1.1
141.07231	0.9
141.12743	1.5
142.03218	6.8
143.08504	1.4
144.01122	9.5
145.06056	100.0
145.10033	3.9
147.07973	2.0
147.11668	1.7
149.09595	3.5
151.05728	4.2
151.11159	13.7
151.12289	1.6
153.06586	1.9
157.10075	1.8
158.55040	0.9
159.11670	1.8
161.09630	3.9
162.02173	25.0
162.03534	1.4
163.11192	1.9
165.09071	0.7
168.08415	1.7
169.06792	3.4
169.12236	4.5
170.02670	3.3
171.11655	1.3
175.11150	1.6
177.03206	6.2
179.04828	44.9
179.10628	2.1
181.06088	2.0
181.12219	1.0
187.05379	3.9
187.07863	2.5
193.12238	0.9
195.08279	1.2
196.07996	0.9
199.07069	3.8
211.07133	1.1
211.11292	1.1
212.10867	1.3
215.04834	1.3
215.12755	5.4
223.13280	1.7
227.10884	0.9
231.04298	1.2
233.05884	7.6
236.11006	1.9
240.10747	1.0
245.05934	2.0
250.12480	1.6
254.12085	6.3
255.17567	1.1
268.13684	1.9
272.13058	1.4
273.18436	6.5
274.10233	5.0
275.58722	0.8
280.13571	1.7
282.11633	0.8
286.14682	1.9
291.06287	1.3
291.19485	25.0
297.12573	1.5
305.15723	1.1
308.08981	7.5
309.20572	6.5
311.14282	2.0
323.16714	1.1
331.13336	1.0
331.17105	1.7
332.58994	0.9
339.13712	3.0
348.19717	4.8
349.18317	1.9
357.14685	4.8
366.20999	10.0
371.16232	4.7
384.21991	13.8
429.16885	1.1
437.22427	1.0
451.22519	12.4
452.22491	1.0
469.23657	35.4
470.22702	1.8
487.24539	5.2
523.24255	1.2
541.25507	8.6
598.27551	1.5
616.29175	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	615.4981
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54385	1.6
53.03933	2.2
53.67191	1.2
55.01834	1.5
55.05507	23.3
57.03426	4.3
57.07064	5.8
59.65894	1.6
62.52684	1.3
65.03934	1.9
67.05501	52.6
69.07063	28.8
69.86336	1.5
71.04998	2.2
71.08636	2.7
71.57315	2.8
77.22842	1.5
79.05486	29.0
81.07051	54.3
83.04990	1.5
83.08612	17.0
85.06509	1.5
91.05473	20.6
93.07037	39.6
95.08604	49.6
97.06541	3.0
97.10160	8.8
105.07020	25.0
106.08636	1.4
107.08586	27.2
109.06584	2.0
109.10143	22.5
111.11711	1.6
117.06980	7.7
119.08556	22.8
121.10129	20.4
123.08087	1.6
123.11700	10.4
125.09600	2.3
128.06223	1.5
129.06990	3.2
131.08583	13.8
133.10117	18.1
135.11700	15.6
137.13297	2.8
143.08566	3.1
145.10112	14.7
147.11673	13.0
149.13213	8.8
151.14857	2.2
157.10199	2.1
159.11719	8.7
161.13261	7.4
163.14854	4.8
169.10098	1.6
171.11734	3.7
173.13298	6.5
175.14862	6.5
177.16435	3.1
183.11758	1.5
185.13341	2.4
187.14821	3.6
189.16415	3.4
197.13455	2.0
199.14819	2.3
201.16370	3.0
203.17950	2.3
205.19667	1.9
217.19562	2.1
225.16371	1.7
231.21104	1.4
243.21216	2.2
259.20648	5.0
260.15286	1.4
261.22171	8.2
279.23257	1.5
317.24963	2.3
333.24240	3.5
335.25653	9.7
337.27390	13.4
339.29007	3.6
431.35480	1.8
451.59604	1.4
523.45111	6.4
541.46545	3.3
597.49158	10.7
615.49811	100.0
616.50323	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.4976
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14091	1.3
50.37483	1.1
55.05504	18.0
56.79243	1.0
57.03433	3.3
57.07068	3.8
61.58534	1.3
65.03925	3.1
67.05500	47.8
69.07067	20.3
71.08620	2.1
79.05486	21.2
81.07048	48.8
83.08611	13.3
84.91152	1.2
85.06548	1.6
89.35612	1.1
91.05470	16.4
93.07037	28.0
95.04958	1.6
95.08601	44.2
95.09196	2.7
97.06522	3.0
97.10174	7.5
99.08098	1.7
103.89921	1.4
105.07026	20.3
107.08585	21.5
109.10156	16.9
111.08085	1.4
111.11771	1.6
117.07058	5.1
119.08574	18.3
121.10147	19.8
123.11691	11.1
125.09629	2.0
129.06978	2.1
131.08566	10.1
131.80411	1.1
133.10138	12.5
135.11670	11.6
137.09647	1.7
137.13252	2.7
139.72992	1.5
140.26273	1.1
143.08546	2.5
145.10115	11.8
147.11646	9.9
149.13264	6.9
155.08591	1.6
157.10100	3.7
159.11710	7.7
161.13245	7.3
163.14885	3.9
171.11696	3.6
173.13324	5.8
175.14874	5.1
183.11694	2.3
185.13315	2.9
187.14894	3.2
189.16412	3.0
199.14705	2.7
201.16525	2.0
203.17995	1.6
205.19592	2.3
213.16495	1.5
215.18088	1.6
219.21112	1.9
241.19649	2.6
243.21120	3.0
247.20630	1.4
259.20636	4.2
261.22198	7.5
263.23819	1.4
285.74744	1.4
289.25394	1.5
301.25400	1.6
317.24863	1.9
333.24265	3.6
335.25803	9.5
337.27304	12.5
339.28888	3.8
347.30219	1.2
491.37177	1.5
497.26303	1.3
523.44812	5.9
541.46362	3.1
597.48676	14.1
598.70081	1.3
603.07654	1.7
615.49786	100.0
616.50500	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	615.0349
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96559	54.2
64.81277	0.9
70.55415	3.2
71.95274	1.2
72.96050	1.2
74.97602	2.4
76.25338	0.9
84.96024	34.9
98.18183	0.9
98.20900	1.5
98.97573	18.8
100.99107	4.8
102.97081	4.6
108.99879	0.9
115.00706	6.5
116.98617	19.2
119.00172	1.9
120.98081	1.1
124.99100	18.4
124.99992	1.5
126.97052	2.1
133.01755	5.5
134.99629	11.1
140.98599	2.0
143.00151	69.1
144.98071	8.6
145.01703	1.2
151.02814	1.2
153.00699	2.3
156.95073	1.0
158.99622	9.5
161.01207	100.0
162.99132	12.0
163.02855	2.4
166.01767	2.2
168.98087	4.0
177.00674	11.5
179.02248	18.0
181.00218	3.9
184.02823	3.2
185.01224	1.2
186.99118	20.9
195.01711	1.5
201.04346	1.3
203.02242	3.0
203.05898	2.7
205.00177	45.2
206.98161	0.9
211.02773	1.6
219.05382	1.0
221.03148	1.5
223.01237	37.3
228.01781	2.2
229.03833	2.7
230.98140	2.2
231.01736	3.3
241.02328	2.5
245.03354	1.0
248.99156	20.6
255.01826	2.1
267.00204	35.0
272.00595	1.4
273.02890	5.0
275.00806	3.3
285.01184	2.1
289.02307	1.4
291.00235	1.4
291.03827	1.4
299.00702	2.0
307.03363	1.4
317.01794	15.4
318.99734	4.1
335.02762	8.1
337.00757	8.8
342.99796	3.5
361.00751	14.5
379.01810	3.3
386.98605	5.7
402.03571	1.4
404.99728	65.4
405.99875	1.2
423.00790	62.7
424.01385	2.1
552.49249	0.9
582.63489	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	614.4831
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	3.8
57.07069	100.0
59.04994	22.1
59.72237	0.6
61.02880	0.6
67.74815	0.6
69.07069	2.1
70.86026	1.1
70.86368	1.4
71.08624	72.0
73.06530	0.9
81.07050	1.0
83.08614	3.7
85.10173	59.3
87.04463	5.6
88.03732	0.6
89.06022	56.7
95.08667	0.8
97.06470	0.8
97.10182	2.1
99.11719	13.1
99.12333	0.8
101.09668	2.0
103.07581	1.1
105.07061	1.6
107.07091	1.7
107.08581	1.3
113.13280	3.8
117.07004	0.7
117.09122	4.9
125.09613	0.8
130.08682	2.3
131.07057	2.4
131.08632	0.9
133.08592	39.6
135.34445	0.6
145.10178	1.0
147.10286	0.8
155.17943	11.2
157.10103	1.2
169.10124	0.7
173.28210	0.7
175.09668	1.5
177.11194	14.9
177.12547	1.1
201.15767	0.6
213.22105	16.8
221.12021	0.6
221.13692	3.3
226.91072	0.8
239.15022	1.5
254.24881	1.1
271.26245	6.5
283.17630	1.4
310.24463	0.7
327.20078	12.4
367.23447	1.2
385.24582	3.0
408.59299	0.7
415.25598	1.2
425.27817	0.8
590.76526	0.7
614.48578	1.8
615.40698	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	614.3319
Annotation	Chasmaconitine
Peak:m/z	Relative Intensity
50.65715	0.2
55.05490	0.4
57.06797	0.4
57.07068	6.4
58.06590	2.3
60.04507	0.3
63.93619	0.3
65.03932	0.8
69.07045	0.5
70.06584	16.6
70.78715	0.3
70.79072	0.9
71.05003	0.3
71.08624	2.4
72.08144	0.4
72.56238	0.3
74.06057	0.4
79.98810	0.3
83.01177	0.3
85.10161	0.9
88.07623	20.6
102.09171	14.6
105.03374	0.7
121.02881	0.6
123.63744	0.3
131.04968	0.7
147.04411	0.5
149.02330	42.0
150.02693	0.4
175.03879	0.8
193.04953	48.0
212.23665	0.6
219.06366	0.7
225.05540	1.1
256.26337	44.1
257.26743	1.0
269.04385	1.7
297.03998	2.5
305.90384	0.3
313.06924	2.5
341.06543	11.7
350.53955	0.3
359.07593	5.7
385.09158	47.2
386.09537	0.5
394.07779	0.4
469.54236	0.3
551.49915	0.3
596.32086	0.6
614.33160	100.0
615.33722	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	614.2735
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02362	0.9
53.03938	2.3
55.01856	3.7
55.05504	9.3
56.05020	1.8
57.03432	1.1
58.99579	13.5
59.04990	0.9
65.03928	1.3
66.04696	0.8
67.05499	11.7
69.03419	2.0
69.07065	5.6
70.06588	4.8
70.33394	3.7
71.04975	1.9
72.08144	2.4
73.01168	1.2
76.02221	56.9
76.03992	2.2
77.68169	0.7
79.05487	21.4
80.05019	2.0
81.03393	2.8
81.07050	52.2
83.01321	1.1
83.04964	2.7
83.06108	6.0
83.08587	4.9
84.04494	13.6
84.08122	1.3
85.02895	2.0
86.00667	1.3
86.09697	2.8
86.99049	3.3
88.02203	1.4
89.06007	0.8
91.05467	10.0
93.07027	13.3
94.06570	1.1
95.04961	5.9
95.08598	8.7
97.02876	1.9
97.06516	2.3
97.10157	3.2
98.00659	2.0
98.20791	1.3
99.05560	1.1
100.02193	0.9
105.07024	9.5
106.06569	0.8
107.04937	10.0
107.08585	8.7
108.04448	1.1
109.02877	8.6
109.06507	25.4
109.10168	4.3
110.07106	0.8
111.02666	1.6
111.04444	1.5
111.08057	1.4
112.02193	5.7
113.00564	1.9
114.03755	1.6
115.05470	1.8
116.00838	1.2
116.01665	20.3
116.02452	1.7
117.07008	6.0
119.04953	1.9
119.08572	9.0
120.08063	1.1
121.06493	3.2
121.10126	3.0
122.09666	1.1
123.04454	2.1
123.08044	5.9
123.11651	1.3
124.02190	2.2
125.05951	1.1
125.09587	2.6
126.03750	1.9
128.06244	1.4
129.06686	2.8
129.10269	1.2
130.04988	7.1
131.08546	5.3
132.08099	1.3
133.06529	1.2
133.10109	8.6
133.70792	0.9
135.02605	1.2
135.08046	9.2
135.11650	1.8
137.06009	2.0
137.09604	2.2
138.03705	1.8
141.04768	4.9
141.06966	0.7
142.03206	8.5
142.07791	0.9
143.08545	3.6
144.01122	10.8
145.06398	3.1
145.10115	3.6
147.08054	3.6
147.11642	1.8
151.05762	2.0
153.06586	2.8
153.09082	1.2
155.08405	1.2
157.10101	2.7
159.08034	3.7
159.11711	2.2
161.09599	6.0
162.02185	31.0
163.07500	2.1
163.11166	1.0
165.08971	1.2
167.07043	3.2
168.07329	0.8
169.10033	0.9
170.02678	4.2
171.08031	1.3
173.09612	2.0
175.11333	0.8
177.03310	1.7
177.09074	1.9
179.04840	39.7
179.10597	4.8
181.06175	1.0
185.03781	2.4
185.13188	1.0
187.05342	9.4
189.09148	2.8
189.11214	1.7
192.82817	0.9
193.06834	4.0
194.09941	1.5
196.07848	1.2
199.07126	1.5
211.07857	1.8
215.04845	3.3
215.18036	1.1
216.03291	1.4
222.09499	5.5
225.11191	1.4
231.04335	5.9
233.05904	32.5
233.08269	1.8
236.11015	1.0
240.10489	11.8
241.11305	3.4
242.12061	3.6
243.17354	5.4
245.05939	4.2
247.10732	0.9
254.12099	1.6
261.18475	10.8
266.44095	0.9
269.97031	1.0
271.16910	4.8
273.18475	0.9
279.19598	1.9
289.14813	1.7
289.17950	28.9
290.08011	1.0
291.06589	1.3
291.19843	1.0
297.12430	1.0
303.14105	1.7
307.19077	11.8
308.09058	20.9
311.14105	1.4
321.15231	9.3
328.17255	0.8
343.13181	4.1
344.14023	1.6
346.18301	5.3
357.14786	1.7
364.19354	30.6
374.17685	1.7
392.18884	1.6
403.20267	1.2
421.21674	1.3
449.21060	24.8
460.92621	0.9
467.22086	100.0
468.22385	1.4
475.22409	1.0
479.06921	0.9
539.24048	10.4
596.26367	2.3
606.83246	1.2
614.27515	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	614.2739
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	2.6
55.01863	3.3
55.05507	6.4
56.05017	2.4
57.03424	1.7
58.99582	13.2
65.03946	1.2
67.05493	11.1
69.03423	1.8
69.07059	5.9
69.87451	2.1
69.87863	4.2
70.02962	1.0
70.06577	2.6
71.04965	1.3
72.08153	2.1
76.02222	50.4
76.03998	2.8
79.05488	19.3
80.05015	1.2
81.03410	3.3
81.07050	48.8
83.04951	2.6
83.06105	6.0
83.08605	3.2
84.04499	10.4
84.08111	1.4
85.01095	0.9
85.02898	2.8
85.04034	1.0
85.06536	2.0
86.00627	1.5
86.09683	1.1
86.99045	3.7
88.02202	1.1
91.05468	9.9
93.07038	10.8
94.06536	0.9
94.46741	0.8
95.04938	5.6
95.08589	9.9
95.80679	0.8
97.01138	1.7
97.02884	2.7
97.06534	1.7
97.10152	3.4
98.00607	1.6
99.05582	1.8
99.08062	1.0
100.02197	1.1
102.44112	0.8
103.05426	0.9
105.07027	9.7
107.04946	10.1
107.08576	7.9
109.02859	5.7
109.06509	24.2
109.10152	3.8
111.02650	1.1
111.04428	1.3
111.08085	1.6
112.02208	5.0
113.00566	1.9
114.03770	2.5
115.05457	1.0
116.01669	16.1
117.07001	5.9
119.04919	2.0
119.08566	8.4
120.08003	0.8
121.06488	2.8
121.10110	2.0
121.50423	0.8
123.04421	1.5
123.08064	4.4
123.11704	1.2
124.02146	2.8
125.09617	2.3
126.03717	1.5
127.02180	0.8
127.03964	1.5
128.06223	1.9
129.06657	3.4
130.04991	5.3
131.04895	1.0
131.08556	3.9
133.06462	2.5
133.10115	5.9
135.04370	1.2
135.08028	7.1
135.11681	1.1
137.05949	2.3
138.03716	1.8
140.05226	1.0
141.04794	3.4
141.12659	1.2
142.03201	5.6
143.08537	3.4
144.01140	10.3
145.06396	2.5
145.10118	3.7
147.08070	4.1
147.11696	2.3
149.09630	1.6
151.05736	1.8
151.07518	1.5
153.06615	1.2
155.08365	1.9
157.10112	2.3
159.08038	3.2
159.11623	1.6
161.06038	0.9
161.09633	5.6
162.02190	22.6
163.07550	2.1
163.11191	1.7
165.09163	1.2
167.06993	4.2
169.10098	1.3
169.32214	0.9
170.02675	4.2
171.08037	1.7
171.98325	0.9
173.09540	1.7
173.13165	1.3
175.05734	0.9
175.11082	1.0
177.03358	1.2
177.09109	0.9
179.04842	30.3
179.10669	4.9
181.04832	0.9
181.06229	1.2
182.05261	1.1
183.11694	0.9
185.03796	2.1
187.05376	9.3
188.03775	1.0
189.09082	1.4
189.11278	1.3
190.53297	1.0
193.06790	2.9
194.10016	1.6
197.06354	0.9
199.07156	1.1
215.04845	2.6
222.09470	7.4
224.10931	1.5
225.11096	1.2
227.04715	1.1
229.15804	0.9
231.04285	4.9
233.05885	38.7
240.10522	10.9
241.11369	2.8
242.12080	2.4
243.17526	4.3
245.05942	2.7
254.12047	1.0
261.18451	8.8
271.16907	3.7
279.13541	0.9
279.19284	1.1
289.17957	25.9
290.07977	2.0
307.19025	9.7
308.09106	21.1
308.12640	1.0
310.18552	1.4
311.14182	1.5
320.16925	1.1
321.15189	7.1
339.16208	0.9
343.12943	4.5
344.14026	1.6
346.18329	6.7
357.14691	2.1
364.19366	24.4
374.17892	1.4
392.18753	3.0
403.20773	1.4
421.21512	1.7
449.21030	26.9
449.27277	1.3
467.22098	100.0
468.22131	1.7
521.22925	2.8
539.24133	14.7
596.25848	1.8
614.27405	5.7
615.28320	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.4826
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	33.4
57.03428	16.4
57.07066	38.2
58.51245	12.9
59.05000	23.1
67.05492	64.8
69.07063	31.2
71.08611	31.8
71.24229	34.8
79.05476	24.7
81.07050	65.3
85.10181	24.4
89.05995	14.6
91.05466	41.4
93.07042	48.6
95.08590	42.9
100.29612	16.3
105.07013	34.9
107.08600	23.2
109.10142	23.2
119.08580	40.4
121.10135	25.5
123.11751	15.6
131.08516	27.1
137.06012	27.4
145.10117	31.9
159.11623	30.7
173.13187	15.7
243.10687	15.3
573.79291	18.8
613.32617	16.7
613.48035	100.0
619.87537	15.9
634.04553	16.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	614.2107
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.1
54.90082	0.3
55.01849	1.0
55.05508	2.5
57.03434	4.2
59.04974	0.5
61.02919	2.9
65.03923	1.0
65.05956	0.4
68.05010	1.0
69.03421	8.2
70.99892	0.8
71.01340	0.7
71.04984	8.1
73.02892	1.8
75.04466	1.8
81.03416	3.8
83.04972	16.4
85.01118	1.5
85.02897	44.7
87.04439	1.6
87.14413	0.3
91.03941	1.1
97.02879	7.4
98.00644	0.9
98.20785	0.5
99.02667	1.4
99.04440	1.8
101.02358	0.4
101.06012	0.5
103.03912	1.1
104.27427	0.4
109.02888	3.2
111.04433	6.3
113.02976	1.0
119.42141	0.3
125.60947	0.4
126.03722	19.4
127.03840	5.6
129.05464	9.6
137.38559	0.4
139.45514	0.3
144.04768	100.0
145.04984	5.2
147.06496	1.4
166.07251	0.4
186.05803	2.8
196.89241	0.4
204.66841	0.4
210.33438	0.4
237.07613	0.4
255.08600	0.8
255.59937	0.4
288.08707	0.4
306.10022	95.7
307.10196	1.2
368.07748	0.4
452.15884	4.0
476.11316	0.9
482.99677	0.4
614.21423	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.482
Annotation	1.3-dilinolenin
Peak:m/z	Relative Intensity
52.21810	0.9
53.03954	1.8
55.01866	1.1
55.05507	20.7
57.03433	6.0
57.07071	5.0
65.03931	2.3
67.05499	57.6
69.07058	19.0
71.04980	1.6
76.34090	1.0
79.05019	1.9
79.05486	33.9
81.07048	68.0
83.04972	1.6
83.08611	10.3
85.06543	3.9
91.05469	25.4
93.07038	40.3
95.04982	3.5
95.08598	55.7
97.06523	4.1
97.10152	6.1
98.20695	2.8
99.08092	1.3
105.07023	26.5
107.08584	28.2
109.06520	1.5
109.10149	26.9
109.10881	1.8
111.08092	2.3
111.11736	1.2
113.09642	1.5
115.05512	1.3
117.06994	11.2
119.08574	29.1
121.10130	25.1
123.08077	2.2
123.11689	12.2
125.09570	1.6
129.06989	5.1
131.08551	21.2
131.09462	1.6
133.10115	24.0
135.11685	17.7
137.09647	1.4
137.13234	5.4
143.08546	6.7
145.10100	23.1
147.11664	17.6
147.12723	1.3
148.11932	0.9
149.13235	11.1
151.14856	2.4
151.46024	0.9
153.12810	0.9
155.08540	1.8
157.10135	6.9
159.11682	17.8
161.13234	16.0
163.14822	6.2
169.10103	2.4
171.11682	8.3
173.13242	13.6
173.14586	1.2
175.14833	7.9
177.16420	2.5
181.10049	1.4
183.11714	3.2
185.13274	8.0
187.14821	7.6
189.12743	1.4
189.16319	4.2
197.13290	3.0
199.14879	4.5
201.16457	2.9
203.18054	2.4
205.19638	1.1
209.13385	1.0
211.14835	2.1
213.16524	2.2
215.17947	2.3
217.19519	1.8
219.17534	1.3
225.16327	1.5
227.16229	1.1
227.18167	1.7
229.19528	2.4
231.17494	1.1
231.21063	1.0
233.19089	1.0
239.18103	1.2
241.19579	3.2
243.21107	3.7
245.22836	1.1
247.20746	1.2
253.19824	1.0
257.19049	1.3
259.20551	9.4
261.22079	13.9
263.23578	1.8
273.22137	1.6
275.23816	1.4
277.21753	1.0
279.23160	1.0
285.22195	1.4
287.23810	1.7
299.24017	1.5
301.25351	1.8
313.25302	2.5
315.23157	2.6
315.26645	1.0
317.24802	1.8
321.24356	1.2
331.26126	1.5
333.24252	6.8
335.25766	16.8
337.27335	10.4
349.27786	1.4
355.30194	1.4
369.32065	1.3
381.31763	1.3
489.36041	2.3
491.37549	1.0
503.36710	1.4
517.39105	1.4
521.43616	7.1
529.38202	1.9
539.44202	4.2
543.40161	1.4
595.47156	16.0
613.48199	100.0
614.48401	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	613.4822
Annotation	1.3-dilinolenin
Peak:m/z	Relative Intensity
52.48858	0.9
53.00290	0.9
53.03931	2.0
55.05509	16.3
57.03432	5.1
57.07071	4.7
65.03925	2.1
67.05501	47.3
69.07058	16.3
71.04988	1.6
71.24728	1.6
71.25043	1.3
76.31522	1.0
79.05487	27.8
81.07050	52.6
83.08614	11.5
85.06545	1.4
91.05469	19.6
92.82692	0.9
93.07038	33.8
95.04964	2.6
95.08604	40.3
97.06521	3.3
97.10160	6.8
105.07018	21.5
107.07897	2.0
107.08583	24.2
109.06559	1.6
109.10148	22.7
111.08082	1.2
111.11695	1.0
113.09640	1.0
117.07038	8.1
119.08573	23.0
121.10130	18.8
123.08083	1.1
123.11700	10.4
125.09617	1.1
129.07005	4.0
131.08563	17.0
133.10124	18.3
135.11699	13.7
137.09668	1.1
137.13292	2.6
139.11168	1.2
143.08563	5.3
145.10106	15.2
147.11668	16.8
149.13257	10.0
151.11174	1.4
151.14854	1.5
155.08611	1.9
157.10150	5.2
157.11237	0.9
159.11696	13.9
161.13248	8.9
163.14816	4.7
167.08528	1.2
169.10170	1.8
171.11658	5.4
172.64436	1.0
173.13219	9.8
175.14861	5.3
177.16472	1.2
179.14346	1.0
183.11662	1.7
185.13266	3.2
185.31320	1.0
187.14772	5.4
189.16428	3.4
191.18036	1.4
193.20125	1.0
197.13217	2.2
199.14833	3.4
201.16418	3.6
203.17941	1.6
207.38829	1.0
211.14836	1.3
213.16441	1.8
215.17966	2.3
217.19626	1.2
226.14778	1.1
231.20988	1.8
241.19592	3.1
243.21121	2.3
247.20422	1.2
259.20551	6.7
261.22156	9.8
271.20441	1.1
273.22357	1.2
275.23404	1.1
277.21750	1.4
279.23297	1.1
285.22241	1.6
287.23743	1.3
299.23773	1.5
333.24167	4.8
335.25684	15.0
337.27322	9.4
341.28534	1.2
355.30215	1.7
489.35907	2.3
503.36768	1.4
517.38904	1.4
521.43420	5.2
529.38647	1.6
531.40540	1.4
535.72046	1.0
539.44690	2.9
543.40430	1.4
595.47241	12.8
613.48218	100.0
614.48480	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.4518
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81368	1.6
54.44614	1.6
55.05510	1.7
57.06799	3.8
57.07071	59.5
57.23377	1.6
59.04992	13.2
62.67566	1.8
66.20517	1.8
67.05509	3.4
69.07042	4.1
71.08245	3.5
71.08624	53.5
71.74028	3.8
73.06567	3.8
78.38132	1.8
79.05489	3.5
81.07054	4.9
81.57600	2.2
83.08633	2.5
84.81224	1.7
85.10172	44.7
87.04456	18.1
89.06023	100.0
93.07027	3.8
95.08619	4.4
97.10178	2.0
99.11740	5.3
103.07592	7.0
105.07031	3.2
107.07054	6.0
109.10211	2.6
117.09180	3.4
119.08508	2.6
130.08633	3.6
131.07011	3.6
131.08557	3.3
133.08592	71.2
133.10101	2.9
141.16376	4.0
175.09683	3.1
177.11208	16.6
181.78404	1.9
182.18483	2.0
191.14371	2.2
221.13828	2.3
252.37894	1.9
253.14133	1.9
344.61154	1.7
613.37726	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	612.5037
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	5.8
55.05524	21.0
57.03430	6.6
57.07072	100.0
59.04992	43.9
61.11100	4.4
67.05495	38.5
69.07043	15.0
69.57151	8.1
69.57565	34.1
71.08250	5.6
71.08624	85.3
79.05157	3.3
79.05493	34.9
81.07050	40.6
82.07383	6.7
83.08600	10.4
85.10172	75.6
89.06018	16.8
91.05482	27.8
92.05794	8.8
93.07035	32.1
94.07348	7.1
95.08604	24.2
96.08949	4.6
97.10141	5.6
99.11725	19.2
101.09637	10.2
105.07007	28.0
106.07346	10.5
107.08565	13.2
108.08970	5.1
109.10131	9.2
113.13257	4.3
117.06989	15.2
117.09118	20.7
119.08566	21.9
121.10108	12.0
122.10429	5.4
129.06949	10.2
131.08569	21.3
132.08926	5.6
133.08585	12.2
133.10091	21.2
134.10483	6.0
135.11705	5.9
143.08527	9.7
144.08948	7.3
145.10107	15.9
147.11633	16.3
155.08527	5.2
155.17966	5.3
157.10139	9.1
159.11646	15.1
160.12074	4.6
161.98100	3.9
162.13597	6.8
169.10184	4.7
171.11644	8.3
185.13260	5.7
187.14778	9.4
211.59529	4.2
213.22154	23.1
218.01295	4.2
241.19472	6.3
257.19098	7.0
259.20508	7.7
260.21030	6.9
271.26367	18.6
333.23993	7.1
335.25851	8.0
336.26212	10.8
520.41895	5.2
538.42657	6.1
594.45496	12.9
612.47083	72.1
612.57458	7.2
613.47992	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	611.4668
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05521	11.9
57.03411	3.3
57.07057	8.5
59.04985	2.8
67.05509	24.6
69.07072	12.7
71.08617	5.6
71.74516	3.0
71.74902	3.5
79.05481	14.6
81.07054	21.7
82.40855	2.1
83.08607	7.6
85.06539	2.4
85.10199	2.3
91.05457	16.3
93.07043	17.9
95.08598	24.7
105.07009	12.5
107.08604	12.2
109.10158	9.3
117.07026	10.0
119.08585	9.9
121.10148	8.3
123.11691	3.5
125.09634	2.4
129.07001	7.6
131.08572	18.4
133.10138	9.3
135.11671	5.6
142.30103	2.2
143.08588	13.8
145.10127	14.6
147.11662	6.1
155.08601	7.7
156.09392	2.4
157.10114	12.9
159.11679	11.6
161.13275	6.4
169.10181	6.8
171.11697	11.4
173.13261	5.2
181.10146	4.2
183.11769	3.0
185.13261	7.2
187.14923	4.5
197.13281	6.6
199.14868	7.3
207.11693	2.4
209.13228	3.9
213.16391	4.5
215.17981	2.6
223.14801	3.3
225.16414	3.4
227.17987	3.3
229.19470	4.0
275.20224	3.3
353.28378	2.9
370.95804	2.6
393.31754	2.2
496.23376	2.5
519.42053	8.4
537.42725	5.0
593.45825	11.3
611.46655	100.0
612.46954	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	611.4664
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.4
55.01871	2.5
55.05510	21.1
57.03431	9.5
57.07076	2.6
65.03908	2.2
67.05502	45.3
69.07070	18.5
70.68641	4.5
71.04969	2.7
77.03931	1.6
79.05492	40.1
81.07054	56.3
83.08620	11.2
85.06541	3.9
91.05482	33.3
93.07037	49.8
95.04964	4.5
95.08604	44.7
97.06519	4.3
97.10169	3.7
105.07026	37.3
105.07722	2.0
107.08585	23.9
108.81046	1.2
109.06464	1.7
109.10155	18.0
111.08049	2.4
112.49762	1.3
115.05437	1.6
117.07000	12.8
119.08576	33.4
121.10135	17.8
123.11700	8.0
128.06235	3.1
129.07002	11.8
131.08559	28.2
133.10127	22.3
135.11681	14.2
136.50060	1.7
137.13240	2.3
141.06996	2.2
142.07761	2.0
143.08545	12.7
145.10124	27.1
147.11667	23.4
149.09604	2.2
149.13264	8.5
155.08582	5.9
157.10112	14.7
159.11685	21.1
161.13252	15.5
163.14848	3.2
167.08569	2.5
169.10115	8.0
170.16310	1.4
171.11684	14.7
173.13234	14.2
175.14760	6.8
177.16454	1.7
181.10149	3.2
183.11710	8.5
185.13303	10.5
187.14807	7.7
189.16388	2.4
195.11732	2.3
197.13243	6.6
199.14853	8.1
201.16446	4.1
209.13274	2.9
211.14795	4.2
213.16447	5.2
215.17987	3.8
217.19392	1.7
229.19676	2.2
231.21117	3.0
239.17987	2.6
241.19560	10.8
243.21185	2.3
244.36928	1.5
257.19009	3.3
259.20599	16.5
261.22183	3.2
275.20013	1.6
311.23630	2.0
313.25491	1.4
315.23340	1.8
333.24344	9.0
335.25708	18.1
353.28445	1.6
449.33972	1.5
519.41998	8.4
537.42902	5.5
593.45807	9.5
604.48877	1.5
611.46637	100.0
612.46869	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	611.4657
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00144	0.5
53.03941	3.4
55.01867	0.9
55.05511	16.4
56.05899	0.6
57.03440	5.2
57.07068	4.2
61.63858	0.6
65.03929	2.2
67.05502	38.9
69.07064	14.1
69.72816	4.9
71.04977	1.3
71.08624	1.2
77.03915	0.7
79.05020	1.3
79.05489	27.0
79.71458	0.6
81.07050	40.2
83.04992	1.6
83.08614	7.6
85.06546	1.8
91.05473	26.3
93.07039	32.3
95.04982	3.6
95.08600	30.4
96.08921	0.6
97.06538	2.4
97.10155	4.4
99.08083	1.2
103.05463	1.4
105.07021	28.7
107.08588	18.4
109.06480	1.5
109.10152	12.0
111.08105	1.5
111.11722	0.6
112.00890	0.6
115.05441	1.7
117.07008	13.6
118.83754	0.6
119.08578	23.9
119.09415	1.3
121.10139	13.3
123.08083	1.2
123.11679	4.2
125.09618	1.3
127.51219	0.7
128.06227	2.6
129.06996	9.8
129.07861	1.1
130.07808	0.9
131.08553	18.8
133.10124	16.2
133.11136	0.7
135.11696	9.4
137.09590	0.7
137.13307	1.3
141.07007	2.4
142.07765	2.1
143.08549	10.6
144.09305	1.5
145.10117	18.3
146.10858	0.7
147.11687	13.0
149.09657	1.2
149.13229	5.1
151.11259	0.7
154.07773	1.1
155.08534	6.7
156.09294	1.1
157.10127	11.5
159.11688	14.3
159.12956	0.9
161.13243	10.1
163.11234	1.0
163.14885	1.9
167.08539	1.6
169.10124	5.7
171.11674	10.0
173.13235	10.8
175.14844	5.5
177.12828	0.7
177.16299	1.2
180.09477	0.9
181.10112	3.0
183.11682	5.7
185.11708	1.0
185.13237	7.9
187.14796	3.9
189.16429	2.6
195.11670	3.1
197.13254	4.7
199.14847	6.7
201.16406	3.3
207.11667	0.8
209.13240	2.6
211.14821	2.4
213.16414	3.6
215.17973	2.0
221.13243	0.7
223.14867	1.7
225.16336	3.1
227.18051	1.0
229.15996	0.9
229.19560	1.2
231.21121	1.9
237.16397	0.9
239.17989	3.3
241.19629	7.7
243.21053	1.6
255.21228	1.2
257.18903	3.3
259.20547	13.2
261.22092	3.3
265.19543	0.7
271.20557	0.7
273.22272	0.8
277.21707	1.1
285.22324	0.9
297.22031	1.1
299.20197	0.8
299.23740	0.9
311.23608	1.1
313.25455	1.0
315.23178	1.9
325.25165	1.2
327.26978	0.9
333.24197	8.7
335.25781	13.1
337.27621	1.7
339.26935	1.0
341.28647	0.7
353.28387	1.9
367.30124	0.8
407.33511	0.7
409.30716	0.8
449.34030	1.0
465.90582	0.7
487.34537	0.8
489.35406	1.2
501.35281	1.1
501.41568	1.4
503.37323	1.6
519.42133	7.9
525.39178	0.7
529.39417	0.8
537.42938	3.3
541.38654	2.0
542.40149	0.9
593.45721	8.1
611.46655	100.0
612.46942	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.4662
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02359	1.7
53.03932	2.2
55.01840	1.6
55.05507	22.0
57.03434	8.1
57.07064	3.8
65.03919	2.1
67.05497	55.7
69.07059	20.3
69.29877	1.0
71.04990	2.4
71.08630	2.2
71.53506	1.7
77.21253	1.2
79.05489	37.2
81.07047	55.1
83.04970	2.0
83.06587	1.1
83.08611	9.1
85.06519	1.7
91.05469	40.2
93.07037	47.3
95.04967	6.3
95.08593	44.2
95.09201	2.2
97.06539	2.7
97.10169	3.0
99.08096	1.5
103.05466	2.0
105.07014	36.0
107.08583	23.8
107.76326	1.0
109.06494	2.2
109.10138	17.1
111.08047	2.2
115.05401	2.7
116.06284	1.2
117.07002	17.5
119.08569	32.9
121.10142	20.4
121.41258	1.0
123.11699	6.1
125.09557	1.8
128.06223	2.4
129.06995	13.5
130.07816	2.0
131.08554	28.6
133.10123	27.8
133.11121	1.1
135.08011	1.2
135.11674	16.3
137.09679	1.3
137.13287	2.1
141.06998	2.1
142.07791	2.5
143.08539	16.3
144.09375	1.1
145.10106	23.5
147.11667	21.1
149.09689	1.9
149.13222	7.7
155.08542	6.9
156.09270	1.5
157.10129	14.9
159.11688	20.3
161.13237	16.1
163.14847	4.8
167.08507	2.3
169.10086	7.3
171.11671	15.0
173.13240	13.6
175.14798	6.1
177.16391	2.3
181.10129	4.5
183.11678	8.1
185.13251	13.1
187.14789	8.7
189.12720	1.5
189.16380	2.9
195.11716	4.3
197.13231	7.8
199.14864	8.1
201.16460	2.9
202.82188	1.3
203.18005	1.8
207.11751	1.1
209.13348	2.2
211.14828	3.8
213.16386	3.7
215.18019	3.0
225.16420	3.7
227.18077	1.7
229.19408	2.2
231.17513	1.5
231.21115	1.7
239.17982	2.4
241.19592	8.9
243.21136	2.6
253.19693	1.5
257.19028	5.0
259.20554	20.5
261.22238	3.1
267.43808	1.1
287.23663	1.8
315.23245	2.1
325.25140	1.5
333.24124	8.7
335.25772	19.5
353.28479	2.6
449.33896	1.5
501.35437	2.1
503.37183	1.6
515.37280	1.3
519.41730	6.7
529.38861	1.8
537.42975	4.1
540.27582	1.1
541.38550	2.1
593.45752	9.2
611.46674	100.0
612.47009	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	611.2817
Annotation	Scortechinone P
Peak:m/z	Relative Intensity
53.03943	1.7
55.01854	3.5
55.05505	9.7
57.03436	4.8
57.07063	1.8
59.04993	1.1
67.05500	22.3
69.07069	7.0
70.06573	1.4
71.03868	2.1
71.04966	1.0
71.08626	25.3
73.75433	0.8
79.05488	19.4
81.03405	5.5
81.07046	26.0
83.04979	4.3
83.08616	6.3
85.06504	2.2
91.05449	14.2
93.07034	30.8
95.04952	5.0
95.08598	17.5
96.24649	0.9
97.06544	4.2
97.10175	1.2
98.98462	8.4
99.08091	15.0
105.07020	9.7
107.04951	3.2
107.08579	13.2
109.02863	1.5
109.06496	2.9
109.10154	6.4
111.08077	1.9
113.09616	1.7
117.06987	3.0
119.08576	9.0
121.06461	1.0
121.10146	12.4
123.08029	0.9
123.11679	1.8
123.92219	1.0
131.08539	3.0
133.10138	7.2
133.88077	0.9
134.40981	0.8
135.11671	12.6
136.03099	0.8
137.02417	1.1
137.09602	2.4
141.09103	1.9
143.08534	1.8
145.10107	2.9
147.08076	1.2
147.11638	3.0
149.09590	1.9
149.13220	5.1
151.11151	7.9
159.11624	1.4
161.13268	5.7
163.11168	4.2
163.14824	1.4
165.12746	2.1
167.10655	1.8
170.91492	0.8
173.13249	1.1
175.14824	1.4
179.14297	46.5
182.24802	0.9
189.12752	1.5
192.00569	0.9
195.13841	0.9
207.13852	1.2
221.15424	1.6
235.17033	2.2
241.19597	1.2
254.83025	1.0
258.00089	1.1
259.20557	3.1
277.21594	33.2
295.22693	1.2
311.05475	2.7
314.73090	0.9
323.05707	1.8
325.07043	1.0
337.06744	1.3
341.06647	2.7
351.25278	100.0
352.25635	2.5
353.06808	1.3
361.43030	0.8
367.08359	1.0
395.07712	2.1
407.07355	1.0
419.07492	1.0
425.08282	1.3
443.09839	1.7
455.09991	1.2
473.10669	1.9
515.11621	1.1
527.12305	1.5
539.11707	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.2326
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16126	0.8
53.03944	1.5
55.01859	1.4
57.03430	2.3
61.02906	1.3
69.03426	6.4
70.06584	6.2
70.07728	1.2
70.08015	5.1
71.04990	1.1
71.36327	0.8
72.08121	1.2
73.02892	1.3
79.05472	1.2
81.03419	4.5
84.04508	1.0
84.08131	1.5
85.02902	14.1
86.09679	1.7
87.00824	6.6
87.01274	1.3
88.62959	1.0
91.05453	1.6
94.04166	1.7
95.04939	2.0
97.02880	5.5
98.20764	1.4
99.04450	2.5
103.05444	6.5
105.01849	5.4
105.07021	4.2
107.04930	1.3
109.02867	3.9
109.06535	1.5
111.04432	3.0
115.05476	1.5
117.07010	1.3
120.08062	1.3
121.06476	3.7
122.03645	6.4
127.03911	9.9
129.06999	1.6
131.04918	10.5
133.06471	16.4
135.08031	4.1
137.05968	100.0
138.06369	1.5
143.08607	1.0
145.04948	3.1
145.06442	2.5
147.08014	1.0
149.05956	1.4
151.07533	6.3
159.02864	2.3
161.05968	3.0
163.07535	24.9
171.08081	1.3
174.06714	1.7
175.07518	4.9
177.09007	1.7
177.55147	1.0
187.07500	2.6
188.08241	1.3
189.09125	3.5
192.88939	0.9
201.09146	2.2
203.10744	5.0
213.09058	1.0
229.08589	2.2
231.04997	1.6
255.09152	1.0
263.10788	1.9
295.13315	11.4
297.07556	0.9
313.07065	1.3
327.15857	15.1
343.07950	1.3
344.08398	1.8
345.08597	1.8
351.15793	3.0
356.97134	1.1
369.08667	1.1
369.17065	1.4
393.17084	1.2
395.14944	1.5
411.18320	1.5
412.11057	1.1
412.87186	0.9
413.11533	1.8
435.18106	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.2326
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16126	0.8
53.03944	1.5
55.01859	1.4
57.03430	2.3
61.02906	1.3
69.03426	6.4
70.06584	6.2
70.07728	1.2
70.08015	5.1
71.04990	1.1
71.36327	0.8
72.08121	1.2
73.02892	1.3
79.05472	1.2
81.03419	4.5
84.04508	1.0
84.08131	1.5
85.02902	14.1
86.09679	1.7
87.00824	6.6
87.01274	1.3
88.62959	1.0
91.05453	1.6
94.04166	1.7
95.04939	2.0
97.02880	5.5
98.20764	1.4
99.04450	2.5
103.05444	6.5
105.01849	5.4
105.07021	4.2
107.04930	1.3
109.02867	3.9
109.06535	1.5
111.04432	3.0
115.05476	1.5
117.07010	1.3
120.08062	1.3
121.06476	3.7
122.03645	6.4
127.03911	9.9
129.06999	1.6
131.04918	10.5
133.06471	16.4
135.08031	4.1
137.05968	100.0
138.06369	1.5
143.08607	1.0
145.04948	3.1
145.06442	2.5
147.08014	1.0
149.05956	1.4
151.07533	6.3
159.02864	2.3
161.05968	3.0
163.07535	24.9
171.08081	1.3
174.06714	1.7
175.07518	4.9
177.09007	1.7
177.55147	1.0
187.07500	2.6
188.08241	1.3
189.09125	3.5
192.88939	0.9
201.09146	2.2
203.10744	5.0
213.09058	1.0
229.08589	2.2
231.04997	1.6
255.09152	1.0
263.10788	1.9
295.13315	11.4
297.07556	0.9
313.07065	1.3
327.15857	15.1
343.07950	1.3
344.08398	1.8
345.08597	1.8
351.15793	3.0
356.97134	1.1
369.08667	1.1
369.17065	1.4
393.17084	1.2
395.14944	1.5
411.18320	1.5
412.11057	1.1
412.87186	0.9
413.11533	1.8
435.18106	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1601
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41159	1.9
57.03428	4.1
70.39121	6.2
73.53676	2.1
81.03389	3.1
83.34061	2.0
85.02900	9.4
95.38040	1.9
98.97569	4.3
99.85965	1.8
103.03916	2.1
107.04974	2.7
135.04414	7.0
137.02339	34.5
145.03352	2.2
147.04497	2.2
161.02344	7.1
161.05811	2.2
165.01793	3.4
177.01819	2.5
179.03406	4.4
183.02870	3.8
185.02815	2.4
187.04022	2.3
189.01881	4.9
190.03986	2.3
191.03380	7.4
191.98412	2.5
195.02829	11.8
201.05516	3.5
203.03474	9.6
205.04909	2.7
207.02892	9.2
208.03635	2.7
215.03418	4.5
217.04999	2.6
219.03015	4.5
220.58105	1.8
221.04529	3.1
229.04861	5.0
231.02806	2.8
232.05029	2.5
243.02820	2.0
245.04820	2.3
246.13898	2.2
255.06360	2.4
257.04523	2.2
267.03165	2.3
273.03693	2.1
283.05933	6.7
284.06876	5.0
285.03775	5.0
287.05484	7.2
295.06064	4.9
296.06503	2.5
297.07608	6.6
299.05435	26.4
300.06467	3.4
309.07660	5.5
310.04706	22.8
311.05490	84.7
311.08957	3.2
312.06100	8.3
313.06985	10.5
320.06540	2.4
323.05466	57.1
324.06229	15.6
325.06976	18.1
329.06555	21.2
335.05511	6.4
336.06262	4.1
337.07080	29.8
338.07880	10.4
339.04877	2.8
339.08627	7.1
341.06519	100.0
349.06998	10.8
351.04755	3.3
351.08548	16.6
352.05673	2.9
353.06522	64.7
355.07956	2.4
361.06949	3.4
362.07541	2.2
363.08563	8.9
365.06531	36.3
367.08121	22.1
371.07541	24.3
373.07037	3.0
377.06357	19.8
379.08234	7.4
381.09619	8.8
383.07465	9.6
389.06451	6.3
391.08194	12.9
395.07568	63.3
401.06113	2.6
403.08221	3.8
407.07651	27.0
413.08450	6.3
417.09863	3.6
419.07553	24.3
425.08670	44.5
431.09604	3.8
437.08694	24.7
443.09744	48.6
449.09891	4.6
455.09741	32.9
461.09869	6.3
473.10785	97.9
479.09653	6.2
491.11597	21.4
496.13205	7.9
497.10709	33.0
503.09784	3.6
509.10886	3.0
514.90143	2.5
515.11896	21.8
521.10675	6.8
527.12012	25.1
539.11755	28.0
545.12744	9.1
557.12958	31.6
575.13879	21.8
593.14679	9.3
611.16425	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	611.1601
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01847	0.6
57.03403	0.9
61.02896	0.8
65.03888	0.5
68.99751	0.7
69.03389	1.7
69.63811	3.1
69.64221	1.3
71.04987	0.5
81.03356	1.9
85.02903	4.0
91.05423	0.6
97.02876	2.3
109.02825	1.4
121.02818	1.4
126.37121	0.5
127.03828	0.7
135.04379	3.1
137.02336	7.5
141.01712	1.4
145.02776	0.6
149.02307	1.6
153.01817	1.5
161.02344	2.5
163.03828	2.1
165.00452	0.7
165.01807	11.2
165.43121	0.4
167.03368	3.2
177.01814	1.8
177.05457	0.5
179.03423	1.3
181.04953	0.8
183.02876	4.7
187.03809	1.4
189.01787	0.7
191.03378	0.9
195.02843	2.7
203.03456	1.2
205.04935	1.1
207.02943	1.2
217.04935	0.8
221.04390	1.0
233.04321	0.7
243.02881	1.2
245.04398	1.1
249.03893	0.6
255.06442	1.4
257.04422	0.6
261.03830	1.3
271.06021	1.1
272.06824	1.1
283.06018	7.8
284.06531	0.7
286.04648	2.8
287.05460	6.9
295.05927	2.0
297.04022	0.9
297.07523	8.8
299.05472	100.0
300.06183	10.6
301.06955	0.8
303.05106	1.8
309.07523	0.8
310.04678	2.0
311.05551	14.5
311.09048	2.5
313.06912	4.0
315.04947	0.7
321.07684	2.7
323.05505	5.6
324.06375	3.1
325.03604	1.0
325.07010	23.5
327.04858	1.0
329.06531	77.4
330.06775	2.7
335.05539	1.0
336.05865	0.8
337.07007	4.4
338.07626	0.9
339.04950	1.1
339.08627	14.5
341.06448	5.2
349.07019	3.3
351.04773	1.1
351.08713	2.1
353.06528	45.7
354.06912	1.7
365.06540	12.7
366.06998	1.0
367.08124	4.3
371.07611	1.4
377.06522	11.3
378.06613	0.6
379.07941	0.8
383.07587	33.5
384.07953	1.2
391.07825	0.7
393.05984	0.6
395.07565	26.2
396.07510	0.6
407.07364	2.8
413.08649	25.4
414.08905	1.1
419.07654	1.4
425.08691	3.7
431.09717	35.7
432.10147	1.2
437.08737	1.7
443.09589	2.1
449.10852	9.9
450.10828	0.6
455.09860	2.1
461.10226	0.8
473.10815	5.9
479.09692	0.6
491.11893	3.2
497.10474	2.8
509.10983	1.1
515.11493	2.5
521.11206	0.8
527.11743	1.6
527.27600	0.5
539.11987	1.7
545.12915	1.6
557.12775	2.5
575.14081	3.0
593.15063	2.3
611.16016	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1601
Annotation	Robinetin 3-rutinoside
Peak:m/z	Relative Intensity
55.01865	0.4
57.03421	2.2
61.02906	0.4
65.59420	0.3
66.99709	0.2
67.64785	0.3
68.99789	0.6
69.03432	1.4
69.45383	1.4
69.45815	1.7
70.06585	2.9
71.04611	0.6
71.04985	12.2
72.08131	1.0
73.02895	0.5
75.04469	0.6
81.03405	1.4
83.01350	0.3
83.04977	0.9
84.04473	0.6
84.08118	1.1
85.02894	18.7
86.09694	1.3
87.04453	0.4
89.07149	0.4
91.03923	0.3
97.02889	2.0
99.04425	0.3
104.07972	0.3
107.04945	0.6
109.02845	0.9
110.07153	0.6
111.00773	0.7
111.04428	0.5
120.08089	0.5
121.02853	0.6
127.03897	1.2
128.61681	0.3
129.05473	4.2
131.04903	0.5
134.77708	0.3
134.97455	0.3
135.04419	0.4
137.02335	3.8
137.05957	1.2
141.10283	0.4
145.04922	1.4
147.04417	0.4
147.06516	1.0
149.02336	0.5
153.01794	2.8
155.04932	0.5
163.03911	0.7
165.01799	2.1
166.02606	0.4
167.65002	0.3
173.05841	0.5
183.02882	1.3
187.07510	0.8
189.01826	0.5
195.02856	0.9
201.05411	1.5
203.03401	0.5
207.02930	0.6
211.03923	0.3
215.03491	0.4
229.04907	3.9
247.06021	1.3
257.04434	2.8
267.10004	0.5
274.04758	1.0
275.05328	0.3
283.06140	0.3
285.03967	1.3
287.05417	0.4
295.06061	0.7
299.05453	1.2
303.04959	100.0
304.05258	2.1
309.07870	0.5
310.04611	1.0
311.05530	4.4
312.06213	0.5
313.06873	0.6
323.05551	3.5
324.06235	1.0
325.07114	1.0
328.05579	0.5
329.06537	0.6
335.05453	0.4
337.07004	1.9
339.04727	0.6
339.08344	0.6
341.06476	3.6
342.06689	0.4
345.06125	0.9
349.07159	0.4
351.04630	0.5
351.08597	1.2
352.05685	0.3
353.06427	2.2
363.08813	0.7
365.06506	2.1
367.08157	0.9
374.12350	0.3
377.06546	0.8
379.07904	1.2
391.08249	0.4
395.07382	1.7
407.07614	3.2
413.08612	0.5
419.07379	0.9
425.08554	2.7
431.09326	0.6
437.08682	1.3
443.09863	0.8
455.09512	2.0
465.10083	0.8
473.10907	1.7
491.10617	0.7
497.10828	2.7
509.10718	1.5
515.11505	0.6
521.10913	1.0
527.11548	1.5
539.11554	1.7
557.12994	2.2
575.13812	2.3
611.20441	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1599
Annotation	Lucenin 2
Peak:m/z	Relative Intensity
53.70281	1.4
55.01865	1.7
57.03431	1.9
62.64760	1.3
64.01145	1.3
65.03940	1.7
68.99776	2.0
69.63122	1.9
69.63786	9.6
73.02876	1.4
81.03393	1.6
85.02903	3.4
93.03411	2.0
107.04974	2.1
109.02895	3.8
121.02842	2.7
130.58551	1.6
135.04384	7.8
137.02324	29.8
137.03349	2.9
149.02274	1.8
151.04007	1.5
159.04424	1.8
161.02335	4.8
163.03920	2.2
165.01842	1.9
171.04330	1.8
173.02316	1.5
175.03865	1.4
177.01826	3.7
179.03392	4.6
189.01782	8.4
191.03374	8.2
195.02921	8.0
201.05470	1.7
203.03375	13.0
205.04988	2.5
207.02908	9.5
215.03413	2.6
217.04919	5.9
219.02878	5.2
221.04446	3.8
229.04906	5.4
233.04463	3.9
241.04866	1.6
245.04735	2.0
247.06012	1.9
257.04428	2.2
261.03912	2.0
267.06384	2.3
283.05991	3.6
284.06870	3.5
285.07321	1.7
295.05997	6.5
296.06818	3.4
297.07559	6.5
299.05435	6.5
307.05856	1.8
309.07397	2.4
310.04727	17.9
311.05481	64.0
311.08643	2.4
312.06180	5.4
313.06985	10.0
321.07550	2.2
323.05505	42.9
323.09348	2.4
324.06229	14.6
325.06995	14.9
329.06479	3.7
333.07733	1.8
335.05447	4.9
336.06186	3.8
337.07104	20.6
338.07935	11.6
339.04916	3.1
339.08655	4.0
341.06534	74.9
349.06992	6.3
350.07700	2.7
351.08533	9.9
352.05618	2.3
353.06512	45.3
354.06952	1.7
361.07013	3.6
363.08740	7.6
365.06528	23.0
365.10583	2.0
366.07236	2.0
367.08133	17.7
371.07617	20.3
373.06870	2.0
377.06464	16.5
377.10574	2.8
379.08163	4.1
381.09805	8.9
383.07697	3.7
389.06378	4.5
391.08096	7.9
393.05798	1.7
395.07617	49.7
401.06433	2.2
405.09543	2.1
407.07538	23.8
419.07602	17.2
425.08725	42.1
431.08054	3.2
433.08887	2.0
437.08728	23.2
443.09705	44.4
444.09741	2.7
449.08682	4.6
455.09711	37.3
461.09741	6.3
473.10806	100.0
474.10822	2.0
479.09720	5.4
491.11862	16.7
497.10776	30.7
503.09564	3.0
509.10580	5.8
515.11871	22.6
521.10895	8.3
527.11920	22.5
528.12170	1.6
539.11987	27.7
545.12732	6.3
557.12823	27.8
575.13989	24.2
593.15173	10.3
603.68707	1.5
611.15607	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1596
Annotation	Lucenin-2
Peak:m/z	Relative Intensity
51.46569	2.2
54.64864	2.1
57.03429	2.7
61.02914	2.4
71.71304	4.2
74.04881	1.8
75.15283	1.9
81.03397	2.5
85.02885	5.5
90.95316	2.4
98.97591	4.8
103.03918	2.5
109.02869	2.2
116.07119	2.8
119.04947	2.8
121.02889	3.6
135.04424	8.0
137.02341	25.9
147.04367	2.6
154.04010	2.4
161.02373	2.0
165.01843	2.1
171.36943	2.1
174.83583	2.1
179.03391	3.4
189.01836	5.0
191.03426	8.0
195.02870	7.4
195.36453	2.5
195.38216	2.1
201.05249	2.0
203.03297	12.2
207.02885	8.4
214.03694	3.5
215.03465	2.8
217.04922	4.7
221.04463	4.5
229.04948	5.4
232.04890	3.5
233.04378	3.0
245.04593	3.6
255.02867	4.3
261.02966	3.9
283.06052	4.6
284.06763	4.8
287.05447	10.6
295.06128	5.0
297.07541	9.1
299.05481	24.4
300.06128	8.0
309.07498	4.4
310.04648	21.0
311.05478	76.4
312.06003	6.5
313.06946	10.8
323.05460	45.2
323.08966	4.3
324.06290	16.8
325.06955	15.4
329.06445	19.8
334.08179	3.2
335.05356	6.1
336.06360	5.6
337.07025	26.5
338.07681	8.5
339.04926	4.3
339.08597	8.3
341.06497	100.0
349.07080	9.6
351.08682	12.6
353.06528	60.7
353.10593	4.5
354.06650	2.9
355.08148	3.1
361.06958	4.1
362.08243	2.8
363.08557	10.0
365.06540	31.8
365.10663	3.3
367.08157	21.6
371.07727	19.7
377.06268	14.9
379.08133	5.2
381.10052	11.5
383.07629	9.2
389.06299	6.6
391.08377	10.2
395.07587	51.4
401.06171	3.8
405.09464	5.9
407.07571	28.1
413.08398	4.3
417.09546	4.2
419.07584	21.4
425.08578	39.6
431.08411	4.5
437.08661	23.1
443.09793	35.0
449.09814	3.1
455.09805	29.8
461.09985	5.3
472.23288	2.7
473.10800	87.1
474.10834	3.6
479.09595	5.0
491.11871	16.0
496.13409	11.2
497.10815	25.8
509.10571	4.8
515.11664	18.4
521.10504	7.8
527.11865	24.1
539.11786	23.9
545.12451	7.7
557.12976	34.2
575.13831	23.6
592.01819	2.3
593.14557	9.1
611.16528	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	611.0619
Annotation	Unknow
Peak:m/z	Relative Intensity
54.76097	1.0
65.72481	1.0
69.87575	5.8
73.22190	1.0
81.16062	1.2
94.93060	1.0
134.96097	2.9
136.19661	1.0
139.39230	1.0
164.93529	5.9
178.95146	1.8
182.93745	2.1
200.94746	3.0
224.94815	3.1
242.95792	1.8
250.93446	2.5
268.94586	100.0
284.96786	1.8
286.94794	3.7
304.95880	4.4
326.98050	1.4
328.95880	4.8
381.07870	3.7
381.12280	1.1
404.05728	1.0
520.15222	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1598
Annotation	Lucenin-2
Peak:m/z	Relative Intensity
57.03436	4.0
60.20131	1.9
61.96057	1.8
69.03426	3.7
70.06586	6.9
71.04971	2.5
71.14075	5.3
71.51620	1.9
72.08141	3.8
81.03408	4.5
84.08146	3.9
85.02906	11.0
85.03333	1.7
86.09692	4.0
93.03448	2.2
94.86192	2.0
97.02885	2.8
107.04960	3.4
109.02892	2.8
121.02902	3.8
127.03905	2.0
135.04414	10.9
137.02332	25.8
137.03343	3.2
153.01863	2.5
161.02386	3.3
163.03908	3.3
165.01797	3.9
175.03929	4.2
177.01750	3.3
179.03473	3.1
189.01849	6.0
190.02629	2.6
191.03464	4.8
195.02922	8.7
203.03348	13.7
205.04860	2.5
207.02850	11.6
215.03455	2.7
216.92688	1.9
217.04967	6.9
219.02797	3.1
221.04512	3.6
227.03516	2.0
229.04947	3.4
231.02824	2.4
241.04735	2.1
243.02870	3.5
255.02846	3.5
267.06595	2.5
271.05991	4.4
275.06219	1.7
283.06003	3.5
284.06934	5.3
295.06052	4.4
297.07611	3.4
299.05460	32.4
303.04889	5.6
309.07541	4.3
310.04749	11.2
310.07938	3.0
311.05469	100.0
311.09106	4.8
312.06146	9.3
313.07080	14.2
315.04950	4.3
323.05487	75.1
324.06171	12.1
325.07022	25.3
327.04904	3.7
328.05728	3.1
329.06491	14.1
335.05392	8.2
336.06274	6.1
337.07010	38.3
338.07727	7.6
339.04901	7.8
339.08685	6.5
341.06522	69.4
341.10638	3.7
342.07333	4.4
345.06149	8.4
349.06854	5.5
351.04794	6.1
351.08588	22.7
352.05771	6.8
353.02972	1.6
353.06522	44.9
355.08286	3.8
357.92465	2.2
361.07059	4.5
363.04681	2.4
363.08731	10.7
365.06491	33.9
366.07074	4.0
367.08173	15.2
369.06006	13.3
371.07492	2.8
377.06485	18.6
378.06735	2.5
379.08078	16.2
381.05795	4.1
381.09937	3.7
383.07599	5.8
389.06424	11.8
391.08334	10.0
393.05960	8.1
394.06625	2.7
395.07571	24.0
401.06271	4.7
403.07819	2.6
407.07568	47.3
409.09048	4.5
411.07001	4.6
413.08682	12.3
419.07410	13.5
423.06204	3.3
425.08646	55.4
431.09344	7.1
433.09137	2.3
435.06924	4.3
437.08517	22.6
443.09637	16.5
449.10236	4.0
451.10522	2.9
453.07983	2.4
455.09656	29.7
461.08893	4.7
465.10986	2.7
473.10754	43.8
479.09747	12.3
491.10999	18.1
497.10742	49.1
503.09525	8.9
509.10681	35.8
515.11694	6.4
521.10785	18.3
527.11786	21.6
539.11816	35.9
557.12817	54.0
575.13892	44.7
593.14789	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	610.2702
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38208	1.4
53.03941	2.2
55.01866	2.1
55.05506	9.3
56.05029	2.0
56.83960	1.2
57.03434	9.6
58.70509	1.3
61.02923	2.1
61.81466	1.2
69.03419	22.6
69.44043	8.3
69.44468	5.2
70.03760	1.3
70.06584	11.9
71.04985	35.2
72.08162	2.3
73.02903	2.1
75.04476	6.1
76.02219	3.1
78.14130	1.3
79.05451	2.0
81.03407	9.3
83.04973	73.3
84.04501	4.8
84.08146	5.1
85.02895	100.0
86.09695	5.9
87.04443	2.3
91.03953	2.7
91.05840	3.0
93.24834	1.4
95.04964	2.0
97.02879	18.4
99.04446	5.2
101.06023	1.6
102.05549	1.4
105.07005	2.8
107.04993	1.9
108.33702	1.3
109.02879	6.1
110.07167	3.8
111.04433	41.8
113.78189	1.3
119.04942	3.1
120.08099	4.2
127.03914	18.5
129.05470	43.6
129.10237	4.7
130.06610	1.4
131.04926	1.5
133.06456	2.1
137.02335	6.2
137.05994	4.2
145.04941	14.1
147.04488	1.7
147.06512	18.0
149.02409	1.3
149.06039	1.9
151.03885	7.1
152.04210	1.5
153.05466	1.2
161.02339	1.3
161.05962	2.2
163.03874	1.9
163.06004	4.5
163.07361	2.2
165.01834	2.3
167.07014	2.3
179.03395	1.6
179.04851	1.7
183.02870	2.1
189.01817	1.6
195.02864	2.8
201.05414	1.4
201.12236	1.2
201.21678	1.2
203.03372	3.6
207.02890	2.9
209.08141	2.9
217.05038	2.0
219.03064	1.6
221.04424	1.6
237.07498	6.4
251.06825	1.2
255.08623	12.0
271.06110	1.4
273.09641	12.5
282.05154	2.8
283.05759	3.3
284.06808	1.7
285.00931	1.6
286.04486	2.0
287.05481	4.6
295.05893	1.8
296.06760	2.9
297.07321	6.3
298.04803	4.2
299.05414	13.6
300.06171	5.8
301.06778	4.6
302.07376	4.0
303.04990	1.7
308.09250	2.8
309.11783	4.9
310.04642	3.9
311.05389	23.3
312.06223	2.6
312.09415	2.3
313.07053	19.6
314.07419	24.2
315.08109	4.5
322.08316	1.7
323.05463	12.8
323.08716	2.1
324.06186	6.5
325.06796	12.3
326.07544	5.6
327.04959	2.7
327.08600	3.5
328.05664	8.0
328.09094	3.1
329.06152	11.8
336.06314	2.6
337.06833	8.6
338.07693	1.7
339.05130	3.1
339.08633	6.6
340.08905	7.9
341.06418	16.1
341.10065	2.2
342.06781	1.9
342.10596	3.5
343.08090	34.9
344.08438	56.5
345.08984	2.9
349.07007	2.0
349.11011	1.7
350.07730	5.1
351.04587	2.1
351.08371	14.1
352.05365	2.2
352.09134	3.5
353.06360	13.1
355.07358	4.0
357.06171	2.4
361.06866	2.8
363.08688	2.6
365.06549	7.2
365.10434	2.7
366.10709	9.7
367.08002	12.8
368.08484	26.6
369.05722	2.4
370.10257	2.1
377.06335	3.3
378.07501	3.4
379.07901	12.1
381.05722	2.2
381.09964	1.8
389.06357	2.7
391.07990	2.1
393.09888	8.7
394.09988	32.1
395.07614	4.7
407.07556	12.5
411.10794	22.7
412.11063	72.0
413.11459	2.4
419.07233	3.8
425.08652	11.9
429.11655	3.6
430.12155	17.3
435.06638	2.1
437.08737	4.7
443.09674	5.2
448.13190	6.9
455.09842	7.7
473.10730	10.1
479.09796	3.2
491.10962	4.3
497.10629	11.7
503.09875	1.8
506.13950	7.8
509.10971	8.9
515.11871	2.3
521.10480	4.6
527.11884	4.9
539.11658	9.8
557.12836	12.0
574.16406	10.1
575.13910	10.9
592.17224	4.6
610.18396	5.4
611.19678	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	610.2638
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25724	1.6
53.03925	2.7
55.01862	1.6
55.05502	4.1
57.03416	2.8
58.99577	19.2
61.02934	1.9
65.73656	1.4
67.05483	4.8
69.03436	2.1
69.07042	1.7
69.63739	13.5
70.06586	5.6
72.08127	3.3
76.02219	87.5
76.03987	4.5
79.05469	6.8
80.85665	1.9
81.02943	3.1
81.03412	50.8
81.07029	5.3
83.04965	4.7
83.06059	1.8
83.08610	10.3
84.04493	24.5
84.08089	2.1
85.02868	2.6
85.03993	1.9
86.09675	2.2
86.99048	3.1
91.05444	7.6
93.07035	2.9
95.04943	14.9
97.02854	2.5
98.20640	1.8
105.06999	7.7
107.04938	5.8
107.08556	3.0
107.11881	1.5
111.08073	5.1
116.01678	22.3
119.05013	1.5
119.08569	6.3
129.06952	5.5
130.05002	12.5
131.04544	1.8
131.08551	5.3
133.10101	2.0
137.02341	4.3
142.03203	8.9
142.07730	1.9
144.01102	10.9
147.08022	3.9
147.11650	4.1
149.09654	2.4
149.50439	1.7
157.10106	4.6
162.02187	46.1
164.76573	1.7
170.02670	4.1
175.03723	1.7
175.11157	6.8
176.10452	1.5
177.03282	4.6
179.04834	84.5
186.63063	1.5
187.05397	2.8
188.43045	1.4
189.01869	2.2
190.08607	3.9
191.60425	1.5
193.12219	32.5
195.02992	2.6
203.03409	3.8
207.02846	3.0
211.13347	4.6
215.04816	2.7
217.04977	2.7
223.07689	2.1
233.05916	26.3
245.06032	3.6
255.02827	2.4
263.75531	1.7
267.15900	17.1
267.18552	2.5
273.04062	1.5
285.17075	3.5
287.05591	1.7
290.08081	1.9
291.06445	3.8
295.05917	1.7
297.07257	1.8
299.05438	6.6
303.04828	2.9
308.09079	100.0
310.04608	2.7
311.05453	22.5
312.06265	2.5
313.07053	5.4
323.05557	12.0
324.06064	3.6
325.06998	5.6
329.06415	3.6
335.05319	1.8
337.06998	9.3
338.07730	2.3
339.04721	2.3
341.06528	17.5
345.06082	2.0
349.06985	2.3
351.04639	2.2
351.08563	5.5
352.05679	2.3
353.06390	8.8
363.08554	2.4
365.06644	6.3
367.07971	2.4
369.06061	2.5
377.06464	4.9
379.07907	3.9
381.06088	1.8
381.18494	1.7
389.06662	2.7
394.92871	1.6
395.07523	3.8
407.07538	11.8
419.07614	2.6
425.08612	12.4
431.09570	2.4
437.08609	3.9
443.09604	4.1
455.09555	8.1
473.10669	9.9
479.10095	2.5
491.10965	2.8
497.10776	10.6
509.10672	9.7
521.10596	3.9
527.11639	4.0
539.11517	6.6
557.13147	10.4
575.13916	10.6
592.25409	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.451
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.6
55.01856	1.1
55.05507	16.8
57.03431	5.2
57.07072	3.4
61.16041	0.9
65.03945	2.0
67.05500	27.6
69.07064	15.8
69.52582	3.4
69.53008	3.4
70.76055	0.8
71.04980	1.6
71.08609	1.6
79.05490	16.6
81.03401	0.9
81.07050	26.6
83.05006	1.1
83.08606	8.6
83.86899	0.8
85.06541	1.8
91.05458	17.1
91.05966	1.2
93.07034	18.6
95.04978	2.3
95.08596	23.8
97.06512	1.9
97.10158	4.0
99.08076	0.8
103.05471	1.1
105.07014	15.3
107.08584	13.0
109.10146	9.2
111.08099	1.0
115.05433	2.2
117.07004	8.4
119.08572	14.6
121.10128	6.7
123.08049	1.1
123.11712	3.6
125.09640	1.9
128.06215	4.2
129.06992	13.2
131.08549	14.4
131.09454	1.1
133.10132	11.3
135.10797	1.0
135.11618	5.0
141.06973	7.0
142.07759	4.0
143.08546	17.5
144.09297	1.8
145.10109	16.6
147.11652	5.5
149.13261	3.2
153.06998	1.9
154.07742	1.2
155.08540	15.6
156.09351	2.7
157.10114	17.0
159.11674	10.3
161.13293	3.5
163.14783	1.1
165.06944	1.7
166.07716	1.0
167.08566	6.0
168.09354	1.8
169.10124	19.4
169.11493	1.3
171.11679	13.8
173.13255	7.5
175.14792	1.8
177.69434	0.9
179.08583	3.5
180.09265	1.5
181.10095	10.9
182.10936	3.3
183.11690	17.2
184.12354	1.3
185.09602	1.0
185.13239	9.4
185.14510	0.9
187.14911	4.1
189.12738	1.0
189.16422	1.5
193.10158	3.3
194.10864	1.3
195.11656	11.0
196.12321	1.4
197.13252	11.8
199.14807	7.0
201.16386	2.5
205.10165	1.2
207.11685	5.1
209.13237	9.9
210.13684	0.9
211.14838	9.3
213.16386	5.2
219.11740	1.5
221.13113	3.8
223.14847	7.2
225.16408	5.5
227.18083	4.2
233.13374	1.1
235.14799	3.9
237.16302	5.4
239.18008	3.2
241.19688	1.4
247.14844	1.3
249.16443	2.5
251.17978	3.8
253.19609	1.9
255.21092	1.8
263.18021	1.7
265.19580	2.0
267.21140	2.0
277.19449	1.1
281.22809	1.3
283.20255	0.9
285.22049	1.0
291.20853	1.0
295.20645	1.4
297.22110	1.2
299.20215	1.2
311.23730	1.7
321.22034	1.6
325.21606	0.9
327.23410	1.2
335.23645	1.6
337.25314	1.9
339.23209	1.5
339.27005	1.3
349.25592	1.7
351.26877	2.9
363.27048	1.5
365.28552	2.5
375.26849	1.4
377.28409	1.4
379.30011	1.3
391.30142	1.3
393.31607	1.6
405.31622	1.8
417.31531	1.0
435.32425	1.3
447.32422	1.9
449.33990	1.4
479.34879	1.0
499.39355	2.9
517.40302	16.2
535.41516	7.9
539.37531	1.4
553.38232	0.9
555.42407	1.0
573.42780	1.5
591.44012	18.0
609.25952	2.4
609.45160	100.0
610.25586	0.9
610.45709	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	609.4521
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	2.3
55.01865	2.1
55.05502	14.6
57.03435	3.9
57.07073	3.7
59.04971	0.9
60.67719	0.7
65.03933	1.3
67.05499	24.8
67.35800	0.7
69.07060	13.0
69.91071	3.0
69.91486	1.6
71.04980	1.0
71.08604	1.3
72.25240	0.7
77.03902	0.7
79.05483	20.4
81.07047	26.2
83.04970	1.5
83.08608	6.4
85.06545	1.7
85.10217	0.9
89.06021	1.4
91.05459	16.0
93.07034	21.1
95.04964	3.2
95.08591	21.4
97.06522	3.1
97.10165	4.7
103.05445	1.0
105.07014	17.0
107.08569	13.3
109.06524	0.9
109.10149	8.8
111.08080	1.4
115.05480	2.2
117.06992	11.0
119.08569	16.6
121.10128	9.0
123.08034	1.1
123.11711	2.1
125.09631	2.3
126.02985	0.7
128.06227	3.4
129.06987	11.7
130.07822	1.2
131.08542	14.9
133.10109	10.9
135.11671	5.2
137.13260	1.0
141.06979	5.0
142.07759	3.4
143.08540	14.0
144.09389	0.9
145.10104	17.0
147.11670	8.0
149.09616	0.8
149.13252	2.9
153.07010	2.2
154.07851	0.9
155.08549	11.5
156.09303	2.2
157.10098	17.7
158.10963	1.1
159.11682	10.9
161.13217	3.6
163.14809	1.2
165.07043	1.3
166.07802	1.8
167.08548	6.6
168.09351	2.0
169.10133	16.8
169.11499	1.6
170.10820	1.3
171.11668	13.4
173.13229	6.9
175.14751	1.4
179.08548	2.6
181.10103	8.8
182.10907	1.4
183.11668	15.6
185.13214	9.4
187.14801	4.3
189.16425	1.8
193.10176	3.1
195.11644	9.2
196.12297	1.2
197.13254	11.9
199.14793	5.8
201.16374	2.0
205.10126	1.3
207.11708	3.3
209.13246	9.2
211.14775	8.7
212.77881	0.8
213.12967	0.7
213.16414	5.0
215.18063	1.1
219.11591	1.0
221.13298	3.0
222.13829	0.9
223.14795	6.6
225.16287	5.8
227.17964	3.0
235.14813	2.7
237.16460	5.3
239.17926	4.0
241.19589	1.8
249.16431	1.8
251.18034	2.3
253.19603	1.1
257.19037	2.6
261.22141	0.9
263.17889	2.0
265.19449	2.7
267.21149	0.9
275.20084	3.5
279.21094	1.0
283.20627	1.1
299.20181	1.1
307.20526	1.0
309.21939	1.1
311.20166	0.9
311.23792	1.7
313.21436	1.1
315.23334	0.9
321.22125	1.8
323.23566	2.2
331.22473	1.5
335.23679	1.2
337.25272	1.4
347.23611	1.1
349.25247	1.7
351.26825	2.4
353.28336	1.1
365.28632	1.5
367.26282	1.4
369.28006	1.2
377.28387	1.8
379.30087	1.6
381.27838	0.9
391.30118	1.0
405.31564	1.2
407.29297	1.4
433.16455	1.5
435.31244	0.9
447.32669	1.6
448.21887	1.0
449.33582	0.9
459.31506	1.2
499.39230	2.6
501.35156	1.1
515.37372	0.9
517.40381	14.3
518.40820	1.3
521.22333	2.1
525.35406	1.0
527.38068	1.0
535.41418	8.5
539.37219	1.6
549.24146	1.0
553.41852	0.9
555.41766	1.2
573.43127	1.1
591.43958	16.3
609.26776	13.4
609.45044	100.0
610.26636	1.9
610.45490	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	609.2702
Annotation	Epoxypheophorbide a
Peak:m/z	Relative Intensity
51.42720	0.5
53.77918	0.5
55.05506	1.8
67.05506	3.8
69.07051	1.6
69.77925	0.5
71.01270	0.6
71.01631	1.5
77.23238	0.6
79.05466	2.6
81.07037	3.4
82.38869	0.5
83.08626	0.8
91.05455	3.3
93.07041	2.3
95.08588	2.7
105.07012	1.8
107.08596	1.6
109.10135	0.6
117.07014	1.5
119.08585	2.1
121.10109	1.1
131.08531	1.5
133.10121	1.5
135.11664	1.0
143.08551	1.1
145.10143	1.2
147.11670	1.4
157.10123	0.8
171.11711	1.1
183.11748	0.8
185.13235	0.7
243.40630	0.6
257.18973	0.9
275.20053	2.0
376.16797	0.7
377.17654	1.7
390.18625	1.2
391.19296	2.8
392.20010	2.0
393.20590	2.2
403.19766	0.6
404.15814	0.6
405.16367	3.5
405.21591	1.0
406.17627	0.6
407.22443	4.4
418.17520	1.1
419.18338	4.9
420.19571	2.0
421.20325	2.5
433.20938	4.4
434.21338	3.4
435.21713	9.9
436.22763	0.8
447.17255	3.9
448.18716	1.1
449.19604	1.7
461.19669	2.2
462.20404	6.8
463.21210	4.0
475.21243	3.0
476.21634	0.8
479.20389	0.8
489.22961	2.0
493.26730	0.7
507.19736	0.7
517.21960	0.7
521.25671	7.2
549.24921	25.9
550.25238	1.1
577.23755	0.6
581.27722	2.1
585.00336	0.7
609.27020	100.0
609.44519	5.3
610.27289	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2751
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09764	1.2
53.03936	5.4
55.01868	4.8
55.05498	7.8
57.03430	24.9
61.02918	74.6
67.05492	21.9
67.57402	1.2
69.03424	37.3
69.07066	12.6
70.06580	5.4
71.01346	2.1
71.04982	8.8
71.73454	1.6
73.02908	25.1
74.67627	1.3
77.94227	1.2
79.05489	13.0
81.03410	27.9
81.07049	65.8
83.04958	8.3
83.08609	5.6
84.04513	1.3
85.02896	96.0
85.06527	4.2
86.09711	3.6
87.04472	3.2
91.03947	54.9
91.05469	22.0
91.06006	1.1
93.07027	10.4
95.04954	4.9
95.08594	15.6
97.02882	65.9
97.06527	5.6
99.04441	16.2
99.08071	3.5
101.02368	7.1
103.03931	7.9
105.07026	30.3
107.04958	2.7
107.08579	13.2
109.02866	23.7
109.06492	4.5
109.10114	2.6
111.04427	2.6
115.03926	6.7
117.05473	4.2
119.08566	26.5
120.08081	1.5
121.10120	17.3
123.04494	1.3
123.08046	3.7
123.11692	22.9
125.05959	1.5
127.03900	40.2
127.07548	3.3
129.05496	4.4
129.07024	2.1
133.10143	4.6
137.02318	4.4
137.05992	1.8
137.13226	3.4
141.05406	1.2
141.09122	1.9
145.04938	21.3
145.10080	2.0
147.06427	1.4
147.11670	80.2
149.13255	1.6
151.03876	1.3
157.10114	2.0
159.06532	4.7
163.06010	5.3
165.12749	44.9
167.06987	2.6
171.06541	2.7
175.07417	1.2
175.11162	3.6
181.01323	1.6
181.04970	2.6
183.06506	17.4
183.13800	13.8
193.12186	6.0
201.07599	8.9
211.13298	4.9
219.08607	1.8
229.14342	35.7
230.14743	1.7
267.15887	53.7
268.16028	1.7
271.05844	1.4
285.16940	100.0
286.17468	1.4
287.05472	2.9
299.05447	16.4
300.06207	10.2
301.06693	2.0
309.17017	10.8
311.05487	4.2
313.06934	7.7
313.16324	7.3
313.46127	1.5
314.07724	2.1
315.04962	20.4
315.64502	1.3
316.05219	1.3
324.06345	1.5
327.04907	5.3
327.17923	5.6
328.05667	1.7
329.06540	40.5
330.06885	2.4
331.04404	3.2
337.16302	3.2
339.08578	3.6
339.17889	3.2
341.06403	2.4
341.13293	1.4
343.08157	5.9
351.18192	3.4
355.17529	3.2
367.08069	3.2
369.05841	3.0
379.08289	1.4
393.09735	2.2
393.18976	10.5
395.07544	4.0
401.08896	2.8
411.11111	6.2
411.20096	20.7
413.08414	6.3
415.13968	2.1
427.10239	3.4
429.11874	1.8
429.21112	26.6
431.09775	9.2
445.11295	8.4
447.12662	1.9
447.22052	2.6
463.12329	16.4
475.12195	1.8
609.17889	5.9
609.27417	4.1
609.35352	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	609.2697
Annotation	Epoxypheophorbide a
Peak:m/z	Relative Intensity
79.05505	0.6
88.28513	0.4
105.06989	0.6
108.08123	0.6
132.08113	0.5
157.10109	0.4
181.08830	0.5
182.09706	0.7
193.08997	0.5
194.09709	0.6
195.09172	1.6
196.09964	1.0
197.10783	1.6
199.08716	0.9
207.09085	0.7
208.11327	0.8
209.10670	3.9
210.11443	2.5
211.08784	1.0
211.12219	3.8
212.12933	0.6
221.10754	0.9
222.11246	0.9
222.13062	0.6
223.08733	1.1
223.12183	5.8
224.09470	0.7
224.13011	6.5
225.10225	1.8
225.13826	3.1
226.14716	0.6
235.08725	1.1
235.12212	1.0
236.09459	1.0
237.10236	3.5
237.13837	4.2
238.10857	0.6
238.14572	2.2
239.11719	1.2
239.15364	4.2
240.12242	0.4
240.16197	0.5
249.10283	1.2
249.13837	0.6
250.11133	1.0
251.08264	1.1
251.11835	1.8
252.12633	0.5
253.13498	1.1
255.11264	0.7
263.15237	0.6
265.09991	0.8
265.13428	3.4
266.13956	0.4
267.11258	0.7
267.14819	0.5
269.13275	0.4
272.50809	0.5
274.13669	0.5
277.09763	0.8
277.17142	0.5
278.65808	0.4
279.11288	0.7
283.10849	0.8
283.14368	0.8
295.10782	0.6
297.12411	1.7
298.13156	0.5
324.14899	0.5
326.16437	0.7
340.14572	0.6
354.16138	1.1
355.07416	0.5
362.18588	0.6
368.17691	0.6
390.18481	0.5
392.19760	0.6
403.15274	0.8
404.16202	0.6
405.21143	0.8
407.22806	0.6
416.18533	0.5
417.17398	0.7
418.17743	0.9
419.18457	1.5
432.19757	0.6
433.20392	3.0
434.20740	1.0
445.20560	0.7
447.17648	1.0
447.22604	0.7
448.22974	0.7
456.89142	0.4
461.19611	1.4
462.24316	0.9
463.21326	1.3
473.20108	0.5
475.21268	1.7
476.21906	2.1
477.22998	1.2
489.22684	1.0
490.23700	0.9
491.20724	0.5
503.24341	0.8
504.22903	0.6
506.22952	1.4
507.23886	1.3
516.21857	0.9
517.22546	1.0
519.20380	0.6
520.20996	0.9
521.22137	2.4
521.25189	2.3
531.23761	1.3
534.22717	3.0
535.23120	0.9
549.24908	20.7
550.25171	0.8
559.23303	0.7
577.24438	6.1
581.27606	2.4
591.26044	1.8
605.33539	0.5
609.27014	100.0
610.26855	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	609.2703
Annotation	Epoxypheophorbide a
Peak:m/z	Relative Intensity
53.73758	0.3
55.05489	0.4
56.17877	0.3
57.07064	1.0
58.56044	0.4
59.04991	0.7
67.05492	1.1
69.07092	0.3
70.25399	1.5
71.08633	0.9
73.75612	0.3
77.57924	0.3
79.05486	0.8
81.07052	1.5
85.10190	0.6
89.06028	1.6
91.05456	0.6
93.07038	1.4
95.08601	1.0
105.07008	0.6
107.08590	0.7
109.10153	0.3
117.07017	0.5
119.08547	0.9
126.02255	0.4
131.08536	0.6
133.08594	0.7
133.10139	0.3
145.10130	0.7
147.11732	0.3
182.16754	0.3
196.09865	0.3
212.24207	0.3
222.11417	0.3
275.20160	0.7
391.19333	0.8
401.17767	0.4
403.19391	0.6
405.20782	1.5
413.18365	0.5
414.18628	0.5
415.19318	1.6
416.20203	1.0
417.21219	0.7
418.22366	0.4
419.17853	1.8
419.23236	0.7
429.20831	3.5
430.21875	0.9
431.18539	1.1
432.19476	0.6
433.19531	0.8
433.24130	1.5
434.20743	0.5
443.22391	1.7
444.23532	2.0
445.23730	1.5
447.22632	2.2
449.23795	0.8
457.19623	0.4
457.24622	0.4
458.24774	0.8
459.21323	4.3
460.22757	2.6
461.18979	1.5
461.23596	3.2
462.19846	2.2
463.21432	1.1
469.23166	0.4
471.22076	0.6
472.22525	2.4
473.23172	1.1
474.24680	0.5
475.20639	0.6
475.25851	0.5
476.22195	2.4
477.22809	2.1
485.23560	1.7
486.24191	0.4
487.25037	4.0
489.23047	2.0
490.23676	0.9
491.20532	0.4
492.25906	0.5
493.26788	0.5
503.24512	2.5
505.19052	0.5
505.26434	0.6
511.37970	0.4
518.23285	0.5
519.23602	2.3
521.21582	2.5
531.23889	24.0
532.24091	1.8
534.22705	0.4
535.23584	0.6
549.24915	13.3
550.25580	0.9
563.26514	0.9
581.28180	0.5
591.26007	2.7
609.27026	100.0
610.27148	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	609.1809
Annotation	Cytisoside 7-O-glucoside
Peak:m/z	Relative Intensity
56.74612	0.4
65.03916	0.6
66.70178	0.4
67.54958	0.4
68.99751	0.6
69.03422	11.8
70.06577	2.9
71.40064	0.6
71.40382	0.6
72.08087	0.6
74.06039	0.5
81.03398	0.7
83.04863	0.4
84.04443	0.5
84.08106	1.1
85.02862	0.9
86.09650	1.4
95.04929	0.5
100.07272	0.4
110.07131	0.9
111.04398	0.7
119.04925	0.5
120.08048	0.9
120.44160	0.4
129.10193	0.5
131.04874	0.9
135.04376	0.9
137.05913	0.9
149.02354	0.9
149.05908	2.0
151.03891	8.5
153.01639	0.5
161.05942	0.9
163.07446	0.5
163.26433	0.5
165.01794	4.4
167.03363	2.3
173.24332	0.4
175.03851	1.9
177.01799	0.7
178.13206	0.4
183.02841	1.9
183.04323	0.6
189.05511	0.4
191.03351	0.6
193.04901	1.3
195.02873	2.4
199.03873	0.6
203.03262	0.9
217.04906	1.2
222.58914	0.4
229.04794	0.6
243.06467	0.5
245.04462	1.0
251.07024	1.0
254.05658	0.9
257.04333	0.5
259.05841	0.7
261.03909	0.6
263.05524	1.0
268.07397	1.1
269.08160	0.8
270.05157	1.8
271.05957	2.1
282.05200	3.6
286.04648	1.6
296.06741	6.3
297.07455	4.7
298.04736	9.7
299.05478	1.4
300.06287	6.6
301.07031	6.1
303.04779	1.1
304.07013	0.5
306.08789	0.6
308.06818	1.8
309.03723	0.6
309.07227	1.0
310.04688	5.0
311.09048	4.6
312.06226	2.1
313.07028	39.4
314.07770	6.3
322.08292	4.9
324.06253	11.4
325.06995	7.9
326.07745	1.9
327.04959	1.3
327.08603	6.3
328.05728	22.7
332.06842	0.8
334.08289	0.8
336.06381	2.8
337.07034	1.0
337.10577	1.0
338.07828	0.8
339.04651	1.1
339.08609	15.3
341.06458	0.9
341.10156	2.6
343.08087	91.1
344.08420	2.3
349.10654	1.1
350.07840	12.0
351.08566	5.7
352.05777	1.4
353.06442	2.4
355.07736	1.1
355.11801	0.9
360.06244	1.4
365.10153	13.2
367.08099	41.4
368.08411	0.6
369.09619	2.1
375.08621	1.2
378.07318	10.9
383.11282	1.6
385.08743	0.7
393.09650	41.9
394.10028	0.8
411.10712	100.0
412.11063	2.9
429.11777	27.0
447.12848	10.9
488.35199	0.5
505.13330	9.6
529.13159	2.8
573.15936	12.9
591.17194	5.3
609.17908	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	609.181
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.3
55.01871	1.9
55.05506	2.2
56.05039	1.0
57.03432	4.2
61.02924	1.2
62.20167	0.9
64.28620	0.8
67.05485	3.2
69.03423	1.5
69.07067	1.4
69.52408	8.8
70.06590	2.6
71.04978	29.0
72.08154	1.3
73.02904	1.3
75.04442	1.1
79.05486	2.2
81.03402	1.8
81.07053	2.8
83.08603	0.9
84.08142	1.2
85.02894	33.5
85.06517	1.0
86.00642	1.3
86.09691	1.0
87.04462	1.7
89.00568	0.9
91.05487	2.8
93.07023	3.4
94.06561	1.0
94.53992	0.9
95.05006	1.2
95.08596	2.2
97.01125	2.3
97.02890	1.6
105.07027	2.9
106.03508	1.0
107.04946	1.1
107.08569	2.6
109.10155	2.1
111.04443	1.1
112.24895	0.9
115.05462	1.0
116.07065	1.5
119.08577	2.8
120.08085	1.5
121.06572	0.8
123.11750	1.2
127.03951	2.2
129.05464	6.6
129.06979	1.1
131.08475	1.0
133.10123	2.1
135.04382	2.6
135.11728	1.5
137.02289	6.1
137.05984	1.8
141.01826	1.2
142.11772	0.9
147.11621	1.0
159.11650	1.3
161.02292	2.4
163.03903	2.2
165.01810	12.0
167.03374	1.9
167.07027	2.1
177.12868	1.1
179.03355	2.2
179.04794	1.4
181.04909	1.6
183.02875	6.5
197.00769	0.9
203.03482	1.2
205.04880	1.0
206.15428	1.3
233.04488	1.4
252.14165	2.7
259.05930	1.0
268.68228	0.8
269.17435	2.3
283.05954	4.9
286.04636	1.8
287.05475	15.7
295.06064	4.7
297.07599	9.1
298.04532	1.2
299.05466	100.0
300.06201	9.9
301.07336	1.1
310.04953	1.4
311.05490	17.7
311.09146	2.4
313.03473	4.5
313.07080	13.9
315.04956	16.2
321.07526	3.0
323.05417	10.7
324.06335	5.4
325.03510	1.9
325.07001	20.1
327.05014	8.9
327.08502	1.6
328.05719	1.4
329.02576	2.1
329.06531	38.8
339.04886	8.2
339.08560	54.8
341.06540	4.2
345.05933	1.1
349.06891	6.8
351.05014	2.4
351.08838	1.1
353.06485	8.7
357.05856	1.4
367.08066	26.7
369.05994	6.0
377.06488	3.5
385.09201	3.7
395.07581	77.8
396.08167	1.5
409.09106	1.1
413.08624	81.1
414.08881	1.7
427.09998	2.3
429.20538	4.6
431.09686	96.7
432.09903	1.5
447.21628	13.7
462.60596	1.1
463.12381	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	609.1806
Annotation	6-Hydroxykaempferol 4'-methyl ether 3,7-dirhamnoside
Peak:m/z	Relative Intensity
53.03938	1.3
55.01879	1.7
55.05502	2.4
57.03419	4.3
59.04977	1.2
67.05498	1.9
69.03407	3.3
70.06579	3.7
71.01315	0.9
71.04622	1.7
71.04985	26.5
72.08150	2.1
73.06525	1.1
79.05454	1.2
81.03391	2.1
81.07039	2.8
83.04964	1.6
85.02897	22.5
85.06531	1.3
87.04430	1.5
87.57676	1.0
91.05443	1.9
95.04982	1.1
95.08572	1.9
97.02861	1.0
97.81082	0.9
105.07021	2.0
107.04865	1.1
107.08545	1.0
109.02840	1.6
109.10162	1.1
123.08077	1.1
127.03870	1.5
129.05467	3.2
131.04919	1.4
133.06471	1.5
135.04385	3.3
137.02321	7.1
141.01859	1.4
141.71353	1.0
151.03908	1.3
161.02357	2.5
165.01813	11.8
167.03394	1.8
167.07027	2.5
179.03354	3.4
179.04800	1.1
181.01218	1.5
181.04948	1.4
183.02869	6.2
187.03947	1.5
197.00798	1.4
205.04929	1.7
233.04425	1.7
243.05293	1.0
247.93674	0.9
251.05434	2.7
262.60349	1.2
271.05826	1.1
283.05939	4.7
286.04636	2.0
287.05441	15.8
295.05960	3.7
296.06552	1.5
297.03873	3.0
297.07535	7.1
299.05457	100.0
300.06155	9.0
310.04669	1.6
311.05487	21.9
311.09024	2.6
313.03311	14.5
313.07025	14.6
315.04941	74.3
321.07568	2.9
323.05450	10.6
324.06311	4.3
325.03363	4.3
325.07022	15.3
327.05066	8.9
327.08582	1.8
328.05951	1.3
329.06506	32.0
329.10291	2.3
331.04462	2.7
337.06888	1.8
339.04846	11.1
339.08597	47.0
341.06454	4.3
343.07990	1.7
345.06204	2.0
349.07047	6.1
351.04831	2.1
352.05621	1.1
353.02765	5.5
353.06543	8.1
357.06100	2.1
359.07080	1.0
367.03510	2.2
367.08112	42.9
369.05969	5.5
371.03812	2.8
377.06561	5.0
379.07843	1.1
381.09491	1.8
385.08969	3.4
395.07565	85.4
409.09149	13.0
413.08630	64.5
427.04666	2.0
427.10239	31.5
427.15997	1.5
431.09708	46.8
445.11304	16.9
447.21643	2.4
463.12439	17.2
577.20923	1.8
609.18018	3.1
609.33960	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1805
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03901	0.6
55.01821	1.3
55.05470	0.5
57.03386	1.6
59.04964	0.4
61.02912	2.9
67.05472	0.4
68.99762	0.7
69.03419	15.9
69.39335	0.3
70.06536	1.6
71.01291	0.4
71.04936	1.3
71.75026	0.6
72.08117	0.8
73.02859	1.2
81.03408	3.2
81.06991	0.5
84.08081	1.1
85.02891	22.9
86.09661	0.7
87.04420	1.0
91.03890	0.6
93.06979	0.4
95.04942	0.7
97.02335	0.5
97.02876	6.4
99.04402	1.2
103.05402	0.5
106.45961	0.4
107.04891	0.4
109.02861	2.1
109.10110	0.4
111.04382	0.6
115.05366	0.5
125.05883	0.4
127.03885	4.8
129.31265	0.4
137.02298	0.4
140.91393	0.4
145.04939	3.2
149.02287	0.6
149.05913	0.9
151.03886	4.7
161.05896	0.4
163.03911	0.7
165.01785	2.2
167.03389	2.1
170.11002	0.4
175.03853	1.3
177.01662	0.8
181.04881	1.6
183.02802	1.1
187.05930	0.6
193.04958	1.0
195.02821	2.4
195.04298	0.4
217.04857	1.0
243.06496	0.6
245.04477	0.9
254.05721	0.6
258.05167	0.5
259.05780	0.5
268.07309	0.4
270.05054	0.6
271.05957	2.5
282.05225	4.5
282.08118	0.7
283.05862	0.8
285.07541	0.5
286.04779	0.7
296.06717	3.5
297.07562	4.1
298.04666	6.6
298.07962	0.5
299.05316	0.7
300.06210	6.3
301.07068	3.7
308.06677	0.7
309.07510	0.5
310.04672	3.8
311.09058	2.9
312.06213	1.2
313.07013	23.7
314.07739	5.7
322.08362	2.1
324.06232	6.0
325.07034	5.7
326.07529	0.9
327.04956	0.9
327.08600	3.7
328.05722	15.7
329.06241	1.0
336.06155	2.0
337.06909	0.7
337.10718	0.7
338.07965	0.6
339.08511	8.3
341.10208	1.5
343.08072	100.0
344.08246	2.0
349.10873	0.5
350.07758	6.5
351.08649	3.9
352.05869	0.6
353.06409	1.0
360.05960	0.5
365.06097	0.4
365.10175	7.6
367.08096	22.3
368.08536	0.8
369.09686	1.1
375.08646	0.6
378.07373	6.1
383.11292	0.4
385.09076	1.3
393.09631	22.6
395.11227	1.4
411.10687	63.0
412.11005	1.7
429.11734	15.8
447.12878	4.6
554.11597	0.5
573.15948	1.6
591.17297	1.4
609.17853	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1806
Annotation	LMPK12110986
Peak:m/z	Relative Intensity
53.31948	0.5
53.52416	0.4
57.03403	0.5
69.03426	10.6
69.60416	3.5
81.03381	0.7
83.04951	0.5
85.02900	2.7
97.02874	0.9
111.04388	0.7
135.04358	0.7
136.67390	0.4
141.01793	0.5
148.03017	0.4
149.02348	0.6
149.05948	1.3
151.03883	6.8
163.03763	0.5
165.01782	3.0
167.03322	1.5
171.85153	0.5
175.03807	1.2
175.60066	0.5
183.02856	1.3
193.04965	0.7
195.02875	1.0
201.05478	0.7
217.04913	0.8
243.06477	1.0
245.04501	0.9
257.04395	0.6
263.05518	0.5
270.05197	1.1
271.06082	1.2
282.05203	2.9
284.06476	0.5
286.04739	1.2
296.06775	5.3
297.07419	2.9
298.04688	8.4
298.08109	0.8
299.05444	1.3
300.06207	5.5
301.06982	4.2
303.05093	0.5
308.06882	0.7
309.07578	0.5
310.04663	4.0
311.08997	3.1
312.02777	0.5
312.06281	1.1
313.07031	29.8
314.07703	4.0
321.07556	0.6
322.08267	2.5
324.06256	8.0
325.07013	7.4
326.07770	1.2
327.08548	3.5
328.05698	12.4
329.06323	0.5
334.08478	0.9
336.06247	1.8
337.06961	0.7
338.03995	0.7
338.07742	0.7
339.04611	1.1
339.08566	12.1
341.06479	0.8
341.10022	2.3
343.08087	66.4
344.08466	1.5
349.10632	1.1
350.07809	9.9
351.08536	4.7
352.05692	1.2
353.06546	1.3
355.07761	0.7
355.11813	0.5
360.06155	1.4
365.10178	9.7
367.08093	35.7
368.08640	0.8
369.09595	1.5
375.08603	1.2
378.07315	8.9
383.11224	1.0
393.09634	32.1
394.10028	0.8
397.09262	0.7
411.10699	100.0
412.10797	2.1
429.11777	24.8
430.12381	0.5
447.12842	9.3
505.13409	1.7
529.13446	1.1
573.16028	2.1
591.17194	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1811
Annotation	Isoswertisin 4'-O-glucoside
Peak:m/z	Relative Intensity
53.03935	3.0
55.01870	2.7
55.05501	4.2
57.03426	7.7
61.02913	17.2
62.31561	1.6
67.05484	7.4
69.03425	25.3
69.07063	5.2
69.68770	7.1
69.69207	7.7
70.06278	1.7
70.06596	14.6
71.04987	9.6
72.08147	5.6
73.02888	4.9
79.05479	6.2
81.03424	11.6
81.07048	16.7
83.04971	4.2
83.08607	2.0
84.04498	2.2
84.08121	3.6
85.02895	33.4
85.06494	1.9
86.09686	5.3
91.03930	6.1
91.05458	6.5
93.07024	6.7
95.04967	2.4
95.08592	7.0
97.02881	19.6
99.04436	5.8
101.02346	2.1
105.07012	8.8
107.04964	2.2
107.08561	4.0
109.02868	6.4
109.06509	2.7
109.10176	4.7
110.07172	1.5
111.04429	2.4
117.07020	2.2
118.74525	1.7
119.08529	4.5
121.10115	7.5
123.08022	3.0
123.11710	5.3
125.09601	2.8
127.03899	12.4
129.10263	2.0
131.08565	3.2
133.10088	3.9
135.04411	3.1
137.02312	5.3
137.05997	3.2
145.04976	5.3
145.10063	2.8
147.04405	3.3
147.11700	9.8
149.05988	2.6
151.03873	6.1
155.08159	1.8
157.10022	2.1
159.11632	1.9
161.05908	2.9
163.03957	3.0
165.01848	4.2
165.12737	7.3
167.07036	9.5
169.10127	2.2
177.05423	2.7
179.03416	3.0
181.04941	2.4
183.02852	2.8
183.06468	2.2
189.09177	2.1
189.61827	1.6
191.10526	1.6
195.02869	2.0
220.51909	1.8
229.14417	3.2
267.15958	7.8
270.05377	2.8
271.06021	3.6
281.57083	1.7
283.05835	2.8
285.16953	10.0
286.04599	3.6
287.05414	5.2
296.06735	4.7
297.07611	4.4
298.04633	7.8
299.05457	23.6
300.06232	11.8
301.06943	7.3
310.04611	1.8
311.05411	7.2
311.08987	3.4
311.14178	1.7
313.03540	4.7
313.06992	52.4
314.07748	3.8
315.04941	26.2
322.08243	2.6
323.05356	2.6
324.06296	8.7
325.07031	8.8
327.04941	6.5
327.08322	3.0
328.05765	15.1
329.06525	25.2
331.04590	3.1
336.06247	2.8
339.04974	3.0
339.08545	12.3
341.06396	3.5
343.08090	63.2
350.07770	9.8
351.08597	6.2
353.06500	4.8
365.10156	12.7
367.08078	29.2
369.06149	8.9
378.06989	8.5
385.09409	2.4
393.09628	36.7
395.07657	2.7
411.10712	100.0
412.11023	3.1
413.08447	12.3
427.10315	3.1
429.11755	25.6
429.21002	2.2
431.09808	14.3
447.12866	25.1
463.12274	12.2
591.17603	2.0
609.16614	9.7
609.33759	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	609.1811
Annotation	6-Hydroxykaempferol 4'-methyl ether 3,7-dirhamnoside
Peak:m/z	Relative Intensity
51.00014	1.0
52.45366	1.0
53.03930	1.6
55.01871	2.0
55.05506	2.0
57.03419	2.5
61.02911	1.2
63.48354	1.1
67.05498	3.8
68.09827	1.2
68.99806	1.3
69.03418	4.2
69.07050	3.3
70.06577	2.7
71.04979	4.4
72.08125	1.2
73.02901	1.3
79.01843	4.5
79.05486	4.8
81.03408	4.2
81.07049	6.0
83.08621	1.3
84.08123	1.4
85.02886	8.1
86.00640	1.4
89.06018	1.5
91.05469	4.6
93.07037	5.0
95.04955	1.7
95.08594	3.4
97.01122	1.6
97.02901	2.4
97.06501	2.1
103.04037	1.0
103.05470	1.3
105.07022	3.4
107.04955	1.5
107.08588	2.3
109.02907	1.0
109.06517	1.3
109.10170	2.8
111.04459	1.5
117.07051	1.4
119.08559	3.2
121.10146	3.6
123.04385	2.1
123.08068	1.4
123.11703	1.8
125.09583	1.6
127.03915	2.6
131.04884	1.1
131.08517	1.4
133.10153	3.2
135.04372	2.2
135.11681	1.7
137.02319	23.9
137.03355	2.1
137.06026	1.4
145.10143	2.3
147.11670	1.8
149.13260	1.8
151.07539	1.4
153.01700	1.5
159.11742	1.3
161.02376	2.3
161.05943	1.9
163.03893	3.0
165.01831	2.2
167.07019	2.4
175.11140	1.3
177.01869	2.9
179.03424	9.1
179.04840	1.7
181.01305	2.8
181.12244	1.2
183.02823	2.5
187.03906	1.7
189.05522	1.1
191.03355	1.2
192.04195	2.2
193.12135	1.4
203.03401	1.7
205.01244	1.3
205.05112	1.3
207.06593	3.4
211.13292	1.5
217.04903	1.7
229.05005	4.4
233.04486	2.1
235.06001	8.2
243.06673	2.2
245.04414	1.3
249.07813	1.4
251.05562	3.3
252.14236	2.0
259.06049	4.6
261.03952	4.1
267.13644	1.4
269.04446	2.3
271.06134	5.1
272.06717	7.1
273.18637	1.9
275.05551	1.4
277.07104	3.4
279.05002	5.0
286.04706	1.6
287.05515	22.9
289.03513	2.5
291.19754	1.4
295.05988	2.2
299.05481	93.7
300.06250	42.3
301.07025	2.5
311.05484	26.3
313.03488	9.8
313.07111	24.6
315.04962	100.0
316.05371	1.5
323.05307	1.5
324.06213	5.8
325.06921	3.2
327.04977	21.3
327.08527	1.4
328.05801	4.8
329.06546	81.8
331.04446	20.1
339.04907	6.5
339.08688	19.8
341.06580	6.0
345.06116	2.8
351.04971	1.9
353.06744	5.3
355.16766	1.2
357.06058	8.0
357.09726	3.1
359.07529	5.4
365.23529	1.7
367.08078	11.5
369.05942	2.5
385.09213	26.4
387.07007	3.5
395.07559	34.0
413.08627	91.4
429.20688	2.3
431.09708	96.1
432.10321	1.9
447.21539	9.6
463.12338	58.7
472.02820	1.3
516.55823	1.6
559.14624	1.5
577.15338	15.4
609.18073	46.4
609.27399	1.8
609.33179	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	608.284
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79720	0.1
61.91221	0.2
66.64487	0.2
67.05503	0.4
69.92392	0.7
69.92818	0.4
77.77468	0.1
79.05489	0.3
81.03409	0.2
81.07053	0.3
93.07024	0.2
95.08591	0.2
97.02889	3.8
104.10730	0.2
107.08578	0.2
119.03509	0.3
119.08587	0.2
136.06174	100.0
136.79343	0.2
137.04616	0.8
137.06494	0.7
281.15668	0.2
331.10464	0.2
348.07010	28.3
349.07184	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	608.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	0.4
53.03942	0.5
55.01866	0.3
61.02908	0.4
69.03405	0.7
70.06584	1.8
71.12604	0.3
71.12917	0.4
72.08140	0.3
75.55899	0.2
77.03893	0.4
80.16532	0.2
81.03381	0.3
84.04492	0.5
84.08146	0.4
85.02894	2.2
86.09681	0.6
90.59940	0.2
91.05448	0.3
95.04925	0.7
97.02876	0.7
103.05453	32.1
104.05783	0.5
105.06989	0.5
108.05758	0.2
116.63706	0.2
127.03861	0.5
131.04909	100.0
132.05223	1.3
133.06448	0.5
136.07556	0.4
137.05945	0.7
149.00551	0.5
163.07518	50.5
164.07875	0.4
165.09146	0.5
209.02673	1.7
301.01239	0.2
314.06635	0.3
327.19919	0.2
604.30609	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.4565
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38515	1.9
53.03936	7.2
55.01868	10.0
55.05507	42.5
55.45222	1.9
57.03421	4.1
57.07067	8.5
65.03948	2.6
67.05140	4.7
67.05499	93.8
69.03429	4.3
69.07067	32.7
69.55814	2.3
71.04977	5.8
71.08629	16.6
77.03925	1.9
79.05489	57.9
81.03403	12.3
81.07053	100.0
83.04977	10.7
83.08604	32.8
85.06548	4.2
85.10215	3.1
91.05471	51.8
93.07037	78.3
95.04951	17.0
95.08597	51.6
97.02888	3.6
97.06532	12.2
97.10165	20.3
99.08091	17.7
105.07024	36.8
106.80599	1.9
107.04986	3.5
107.08585	45.4
109.06493	7.7
109.10153	15.6
111.08086	11.1
111.11663	2.6
113.09637	4.7
117.07018	13.1
117.29023	2.2
119.08574	27.6
121.06494	3.6
121.10146	23.2
123.08071	3.9
123.11701	6.5
125.09638	16.1
126.50124	2.2
128.06229	2.4
129.06979	8.2
131.08562	21.4
133.10117	28.7
133.34995	2.0
135.08073	5.7
135.11691	25.9
136.06175	20.2
137.09596	4.2
137.13330	3.0
139.07503	2.0
139.11166	7.0
141.09184	2.3
143.08551	6.3
145.10138	11.6
147.11697	18.1
149.09598	4.5
149.13242	26.3
151.11183	19.8
153.09097	3.7
157.10165	6.4
159.11678	16.7
161.13229	18.3
163.11179	10.9
163.14819	3.7
165.12694	9.6
171.11681	4.9
175.11079	3.1
175.14844	6.1
177.12715	14.7
179.14296	9.8
183.11682	4.0
185.13278	3.9
187.14880	4.1
189.11195	14.4
189.12717	3.1
195.13814	32.0
203.14423	2.4
211.13167	3.8
213.14816	6.2
217.19690	2.6
221.15112	2.1
231.21086	4.9
241.19524	7.1
249.22151	2.7
259.20554	9.0
265.21484	3.2
277.21606	78.1
277.24615	4.4
291.19485	2.8
293.21097	5.4
295.22653	19.0
319.26144	4.4
325.25272	2.6
348.06973	5.0
389.26785	5.9
445.29425	8.8
471.34454	3.2
546.73834	2.2
563.10181	2.2
571.43433	4.2
589.33881	2.7
589.43903	3.3
589.52771	2.6
607.34845	11.4
616.12970	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	607.3475
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	13.8
55.01857	7.4
55.05299	3.3
55.05513	32.0
55.60690	3.2
57.03429	12.0
58.35704	3.3
58.63963	3.3
59.05003	3.6
63.10899	3.1
65.03920	3.6
67.05502	76.6
69.03439	27.3
69.07070	33.2
70.62984	14.0
71.04987	13.3
77.03922	3.4
78.88258	3.6
79.05491	74.3
81.03417	54.4
81.07053	84.2
83.04984	13.0
83.08604	17.9
85.02898	18.8
91.05466	100.0
93.07046	66.2
94.20910	4.1
95.04969	16.9
95.08607	51.1
97.02872	12.7
97.06503	7.8
97.10160	6.0
99.04475	6.7
99.08075	4.1
100.77376	4.2
101.14222	4.5
103.03935	7.4
105.07018	82.3
107.04950	12.6
107.08596	32.4
109.02869	25.3
109.06515	10.2
109.10134	17.7
111.04453	4.7
111.08076	4.8
115.05419	6.5
117.07011	45.3
119.08562	53.1
121.06494	12.7
121.10139	30.8
123.08069	4.3
123.11718	4.5
125.09640	6.2
127.03903	33.0
128.06203	7.5
129.06979	33.8
131.08562	75.1
133.06491	5.7
133.10117	30.8
134.32317	3.9
135.08073	7.2
135.11720	8.3
137.09576	7.3
141.06956	17.3
143.08565	42.3
145.06511	5.3
145.10106	49.5
147.08023	8.7
147.11696	17.1
149.09578	11.7
149.13234	4.7
155.08527	21.8
157.10121	27.5
159.08096	7.3
159.11702	27.0
161.13268	4.7
167.08592	9.0
169.10155	22.7
171.08072	4.4
171.11705	20.3
173.09637	5.4
173.13251	10.2
175.11156	4.1
179.08488	4.2
181.10097	15.3
183.06459	7.0
183.11696	11.3
185.13261	16.0
187.11128	6.9
187.14816	7.9
195.11748	12.0
197.13223	16.7
199.14857	7.0
203.96005	4.4
203.98004	4.2
207.11678	4.9
209.13298	11.6
211.14784	10.1
221.13321	5.6
223.14861	9.9
225.16370	4.8
227.17870	6.0
233.15440	5.0
235.14781	5.0
237.16202	4.7
243.17566	4.5
247.16965	5.3
273.18594	5.4
275.20032	5.6
325.25314	10.7
335.23639	16.0
343.26276	24.8
353.24777	52.3
371.25827	62.8
389.26874	58.4
427.28369	5.9
431.28018	7.0
445.29483	50.7
463.30524	13.0
497.29068	4.7
505.30963	5.7
515.29803	16.3
571.32666	10.4
589.33521	15.2
607.34418	49.0
607.43506	24.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.3471
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02352	1.6
53.03938	11.0
55.01862	4.7
55.05502	21.0
57.03436	7.8
57.07063	2.9
57.66233	1.6
59.05008	1.7
64.89173	1.7
65.03926	4.1
67.05500	76.0
67.42667	1.4
68.28540	1.5
69.03423	19.7
69.07065	21.6
70.38788	3.7
70.39181	4.2
71.04975	10.5
77.03966	1.7
79.05484	46.1
81.03407	77.5
81.07047	100.0
83.04977	17.0
83.08607	14.8
85.02905	10.7
85.06516	4.0
91.05465	40.8
93.07034	59.7
95.04974	12.9
95.08596	27.5
97.02890	13.7
97.06522	11.3
97.10188	3.9
99.04477	5.7
99.08100	4.8
105.07008	26.4
107.04930	4.5
107.08571	30.2
107.09232	2.1
109.02850	9.1
109.06539	4.6
109.10172	7.4
111.04431	8.2
111.08090	6.0
117.07016	13.3
119.08569	12.1
121.06510	6.5
121.10124	18.7
123.08064	3.5
123.11726	5.9
125.09698	1.9
127.03888	8.6
128.06207	2.1
129.07004	5.4
131.08537	16.9
133.06474	4.5
133.10121	14.8
135.08043	4.6
135.11681	10.2
137.05962	1.9
143.08571	4.4
145.06522	2.6
145.10121	7.2
147.11716	12.7
149.13248	25.6
155.08582	2.9
157.10103	4.3
159.08037	2.0
159.11639	16.1
161.09506	1.6
161.13190	1.7
165.12737	6.8
169.10115	2.4
171.11809	2.0
173.04477	3.6
173.09717	3.8
175.11224	2.1
177.12689	9.5
193.12334	2.4
195.13780	20.2
197.13277	2.1
201.12669	3.0
213.14867	2.7
216.43675	1.8
237.15096	1.7
267.15961	3.7
269.17526	12.2
275.16397	3.1
275.68237	1.5
287.16568	1.8
297.16971	2.9
303.15991	3.8
321.17093	6.5
335.23642	1.9
339.17975	14.1
377.19492	4.1
379.20944	1.8
395.20651	13.4
445.29428	7.4
463.30682	10.5
533.31140	2.5
571.32660	4.1
589.33899	3.1
607.34753	96.2
608.35687	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	607.347
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	11.1
55.01871	5.6
55.05508	23.0
57.03429	9.4
57.07065	3.8
65.03934	3.4
67.05498	73.2
69.03426	21.1
69.07064	22.0
70.06577	3.6
71.04984	9.4
77.03915	2.3
79.05486	53.0
81.03409	77.5
81.07047	100.0
83.04966	19.4
83.08616	21.1
85.02908	10.3
85.06551	6.0
91.02682	2.0
91.05474	42.7
93.07035	59.2
93.07581	4.0
95.04959	16.0
95.08591	28.4
97.02876	14.8
97.06510	14.9
99.04462	5.7
99.08069	4.5
105.07017	29.2
107.04957	6.0
107.08583	32.7
109.02874	13.2
109.06522	7.5
109.10147	6.2
111.04443	10.1
111.08086	6.3
113.65921	2.0
115.05450	2.9
117.06999	14.5
119.08579	12.5
121.06541	4.8
121.10126	16.9
123.11705	5.7
127.03934	10.3
129.07005	4.7
131.08553	16.3
133.06442	3.2
133.10112	17.5
135.08023	5.5
135.11691	10.0
141.09006	3.0
143.08577	4.0
145.10123	6.2
147.11713	8.6
149.09668	1.9
149.13237	23.4
157.10135	5.3
159.11707	16.3
165.07104	2.2
165.12791	5.4
173.04376	2.6
175.11307	2.4
177.12735	10.8
195.13780	21.7
213.14857	3.0
229.14238	2.3
233.15312	2.5
267.16034	6.2
269.17435	14.6
275.16547	3.3
287.16336	2.2
297.17010	2.5
303.15918	4.2
321.17014	6.4
339.17935	14.2
343.50366	2.6
377.19791	2.7
395.20612	13.4
445.29410	7.7
463.30615	14.5
589.33313	4.7
607.34741	92.1
608.34790	2.6
636.63025	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2906
Annotation	Methyl pheophorbide a
Peak:m/z	Relative Intensity
51.54986	0.4
52.09601	0.4
57.84011	0.5
71.23344	1.0
146.78107	0.5
195.28148	0.5
229.85535	0.6
257.97812	0.6
388.16876	0.7
389.17853	1.1
403.19263	1.6
405.20795	0.9
415.19260	0.8
416.20355	0.7
417.20871	2.0
418.21530	1.0
419.22449	2.0
431.18161	4.2
432.19397	0.8
433.24051	5.8
434.24207	1.1
445.19754	6.1
446.20657	2.5
447.21768	2.6
459.21527	2.8
460.22440	5.9
461.23245	8.3
462.84308	0.6
473.23499	1.6
474.24164	0.9
487.24945	1.1
505.22372	1.6
519.27466	0.9
547.27002	33.5
548.27472	2.8
579.29608	1.1
607.29083	100.0
608.29395	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	607.3108
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	3.8
55.01862	1.6
55.05502	7.0
57.03415	1.4
57.07059	1.8
65.03928	1.3
67.05502	20.5
69.03420	9.3
69.07062	5.6
69.45158	10.3
71.04974	3.2
79.05492	15.8
81.03416	17.2
81.07053	22.9
83.04974	2.0
83.08608	2.2
85.02909	5.5
85.06516	1.0
91.05476	13.3
93.07037	19.5
95.04978	3.6
95.08600	16.1
97.02876	7.9
97.06533	1.6
97.10168	1.7
98.20615	1.9
99.04467	2.0
105.07015	10.9
107.04925	1.4
107.08572	10.3
109.02870	5.1
109.06514	1.5
109.10141	7.4
111.04436	2.3
117.06995	6.5
119.08564	9.4
121.02874	1.7
121.06500	1.3
121.10105	8.0
123.11720	3.7
127.03922	3.3
129.06995	3.5
131.08563	9.4
133.10124	7.7
135.08105	1.1
135.11676	5.8
137.13290	1.1
139.03899	2.2
142.07799	1.0
143.08594	2.9
145.10112	7.2
147.08092	2.4
147.11710	3.9
149.02319	3.5
149.13286	4.1
155.08617	2.2
157.10138	5.6
159.08144	1.2
159.11670	5.5
161.09688	1.4
161.13301	2.3
163.11137	1.1
163.14833	1.2
165.12845	1.3
167.03397	11.7
169.10150	1.2
171.11766	2.2
173.13298	4.0
175.14828	1.7
181.09908	1.2
183.11674	1.7
185.04442	64.9
185.13306	1.6
186.04739	1.5
187.14857	2.1
197.04501	1.9
197.13377	1.0
199.14876	1.7
209.04364	1.6
213.16748	1.1
227.05544	1.6
237.16270	1.2
243.21095	1.1
251.05476	1.5
259.20422	1.3
261.22098	5.5
261.49976	1.0
273.18527	1.4
275.05478	1.1
275.19943	1.5
303.23380	1.3
315.22794	1.1
335.26068	1.2
341.24799	1.5
369.24359	2.8
446.21988	1.0
447.21783	2.1
474.20459	1.2
476.64948	1.1
519.23718	3.0
547.23309	6.8
579.25787	2.6
607.25470	100.0
607.42358	5.8
608.25964	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	607.291
Annotation	Methyl pheophorbide a
Peak:m/z	Relative Intensity
52.85547	0.4
54.61364	0.4
71.03866	0.9
81.07077	0.5
116.81714	0.5
159.60297	0.4
183.67162	0.5
300.17145	0.4
388.17001	0.6
389.17551	1.3
399.33578	0.5
401.17715	0.5
402.18326	0.9
403.19211	3.5
404.19983	1.0
405.20773	1.5
415.19452	1.2
416.20337	0.6
417.16296	1.1
417.21365	4.0
418.21710	2.0
419.22464	3.6
429.21341	0.5
430.17462	1.3
431.18213	10.2
431.24042	0.7
432.19257	1.8
433.18738	0.7
433.23990	9.3
434.24713	1.4
444.18793	0.9
445.19693	10.7
446.20407	4.7
447.21588	5.4
459.21259	4.9
460.22473	13.5
461.23248	15.6
462.23529	0.7
473.23703	4.1
474.24393	1.1
477.22858	0.6
487.25018	1.6
488.24814	0.6
491.24634	1.3
492.25436	1.2
505.21780	3.7
515.23730	0.6
518.23053	0.7
519.27063	2.0
532.24390	1.1
533.25348	0.9
547.27008	31.2
548.27173	2.9
575.26556	1.4
579.29675	0.6
607.29071	100.0
608.29236	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	607.2546
Annotation	Trigonosin B
Peak:m/z	Relative Intensity
55.75413	0.2
57.72229	0.2
67.05486	0.6
70.09296	1.3
72.75192	0.2
79.05479	0.5
81.03396	0.4
81.07043	0.3
81.51994	0.2
83.13132	0.3
91.05492	0.5
93.07050	0.3
98.20742	0.3
117.07040	0.3
118.40701	0.2
183.09277	0.4
209.10693	0.3
237.10236	0.3
243.06718	0.3
338.16437	0.3
369.64618	0.3
373.14407	0.4
374.15436	0.7
375.16025	0.8
376.17505	0.4
386.16199	0.3
387.16168	0.7
388.16730	1.3
389.17645	2.9
390.18488	1.1
391.19315	0.9
401.13141	0.3
401.17822	0.8
402.14151	0.5
402.18741	0.6
403.19543	4.0
404.20065	1.8
405.20831	2.8
407.22415	0.4
415.14963	0.4
416.15985	0.7
416.20587	0.5
417.16263	4.1
417.21155	1.6
418.16962	1.7
418.22427	0.6
419.17508	0.3
419.22427	5.9
420.22968	0.9
430.17007	1.1
431.18262	6.9
432.19037	3.1
433.20056	3.6
443.18710	0.4
444.19510	0.5
445.20142	5.1
445.29425	0.3
446.20993	7.0
447.21689	8.5
447.27371	0.5
448.22540	0.4
459.17728	1.0
459.21994	1.3
460.18646	0.9
461.19415	2.2
462.24371	0.4
463.20889	0.4
463.25186	0.4
473.19376	0.8
473.23978	0.7
474.20438	4.6
475.21036	4.6
477.22913	0.7
478.23532	0.7
487.21405	1.9
488.22137	0.5
490.23645	0.4
491.20129	2.7
501.22815	0.8
504.21426	0.4
505.22302	0.9
506.23032	0.5
519.24066	14.7
520.24396	0.7
522.51251	0.3
529.22137	0.4
532.21008	0.3
547.23340	12.0
548.23792	0.4
579.25934	4.9
589.24640	0.5
607.25470	100.0
608.25751	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	607.2545
Annotation	Kadangustin D
Peak:m/z	Relative Intensity
54.57816	0.4
67.05437	0.6
71.10646	0.6
79.05423	0.7
81.06993	0.8
93.06951	0.5
95.08550	0.7
105.06960	0.5
106.06499	0.3
107.08518	0.3
118.28156	0.4
134.02538	0.3
145.33630	0.4
171.11617	0.3
197.10471	0.4
209.10667	0.6
221.10565	0.5
228.33427	0.4
246.95128	0.3
265.32816	0.3
324.15045	0.5
325.64523	0.4
374.15244	0.6
375.15894	1.5
387.16208	0.9
388.16867	1.8
389.17587	4.0
390.18344	1.7
391.19040	1.5
401.13275	0.4
401.17795	0.8
402.13977	0.8
402.18350	1.6
403.19348	7.4
404.20166	3.0
405.20688	3.6
407.22409	0.5
407.32669	0.3
413.17276	0.5
415.19196	1.1
416.15802	2.3
417.15988	4.9
417.20880	3.6
418.16559	1.7
418.21548	1.5
419.17575	0.7
419.22412	9.1
420.23145	0.8
429.16464	0.6
430.17035	1.9
431.18207	11.4
432.19141	4.2
433.19949	3.7
434.21445	0.4
435.21890	0.4
445.20328	10.2
446.15079	0.6
446.20981	9.6
447.21753	13.2
448.22534	0.8
459.17816	1.9
459.22284	1.5
460.18854	1.4
461.19412	2.2
462.24429	0.6
463.24774	1.6
473.18854	1.2
473.23633	1.5
474.20471	14.1
475.21146	15.1
476.21960	0.8
477.22693	1.3
478.23535	1.1
479.24847	0.4
487.21042	2.5
488.21948	1.1
490.23535	2.2
491.20905	1.6
491.23929	1.2
501.23297	2.3
504.21655	0.6
505.22299	1.0
506.23218	0.5
518.23193	0.6
519.24091	14.4
520.24463	0.8
529.22015	0.5
532.20752	0.9
547.23364	77.7
548.23450	2.6
561.24713	1.4
575.22015	0.5
579.25806	5.1
589.24384	1.7
607.25476	100.0
608.25537	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	607.2547
Annotation	Trigonosin B
Peak:m/z	Relative Intensity
68.04576	0.8
71.40430	1.2
74.29117	0.7
84.14285	0.6
88.64350	0.7
89.61793	0.7
102.92916	0.8
179.03238	0.7
212.89250	0.7
376.16867	0.7
388.17090	1.3
389.17667	3.0
390.18564	0.9
401.17801	1.0
403.14938	1.5
403.19431	2.9
404.20038	2.0
405.20734	3.2
415.19449	1.0
416.16119	0.8
417.16165	4.4
417.21695	1.2
419.22495	6.1
420.23352	1.2
430.17484	1.3
431.18207	8.3
432.19550	3.3
433.20026	3.7
445.20468	6.0
446.20932	8.1
447.21765	8.5
459.22443	1.5
461.19525	1.5
463.25638	0.9
474.20221	6.0
475.21295	5.7
487.21304	2.5
491.21103	3.0
501.23117	1.3
519.24017	16.3
547.23413	12.2
579.26154	5.1
607.25464	100.0
608.25928	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2379
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.2
55.01872	1.6
57.03426	2.8
61.02911	3.0
69.03420	7.7
70.05058	3.8
70.05473	1.8
70.06587	5.0
72.08147	1.8
78.04697	2.9
79.05489	5.8
81.03406	4.7
83.68353	1.0
84.08124	1.6
85.02902	18.6
86.09697	3.9
87.04447	1.0
91.03950	1.1
91.05470	5.2
92.72349	0.9
94.95524	1.0
95.04961	2.6
97.02896	5.6
98.21432	1.3
103.05445	3.6
105.07026	10.5
107.04937	9.3
109.02856	3.0
111.77173	1.1
114.70115	1.1
115.05424	6.6
117.06995	3.2
118.04128	2.4
119.08578	3.4
120.08113	1.5
121.02888	1.0
121.06483	1.1
123.04443	5.4
124.05187	4.5
127.03928	2.8
128.06204	4.6
129.06990	9.5
129.10255	1.6
130.04117	1.7
131.04936	5.5
132.05705	5.2
133.06485	7.0
137.05945	5.6
140.04663	2.2
141.07030	1.3
143.04907	1.7
145.04874	1.4
145.06470	2.3
147.04404	2.1
147.08026	5.6
149.05971	1.5
151.03914	2.3
152.04707	1.8
152.07649	1.0
153.05449	5.7
155.04912	2.1
155.07033	4.2
156.05650	1.1
159.08038	7.2
160.05222	4.1
161.05978	16.0
162.06783	1.5
165.05583	1.1
166.06238	1.3
167.07021	100.0
168.07327	1.1
169.06459	2.5
171.04399	1.1
171.07994	3.0
172.05225	2.6
173.06027	2.5
175.07523	48.4
176.04684	2.2
177.05464	2.0
177.09114	2.1
178.07794	1.2
179.07008	1.8
179.08508	1.1
183.07999	1.0
184.05217	1.4
187.07521	28.0
189.07028	1.4
189.09090	3.9
190.07753	1.4
191.06998	12.8
191.08546	1.3
193.08563	14.9
193.10104	1.8
199.07526	17.3
201.09074	4.0
202.07785	1.7
203.08577	5.5
203.43289	1.0
205.06479	1.8
205.10190	1.3
206.07266	3.5
207.08058	2.4
209.08066	4.3
215.08623	3.0
217.06555	1.4
217.08611	2.4
218.07220	5.9
219.08069	4.1
220.08708	1.5
221.09511	5.4
231.08087	3.1
232.08722	2.0
233.09622	4.5
234.06729	4.5
235.07547	4.5
237.09097	2.2
241.08548	1.1
241.10709	4.4
243.08034	1.2
245.05939	2.6
246.06802	3.2
247.07513	3.9
248.08160	2.8
249.09074	9.2
251.06924	3.7
255.69157	1.0
259.07483	3.1
260.08374	3.5
261.09030	7.8
262.06329	1.5
263.07022	5.3
263.10693	1.5
264.07758	2.6
265.08557	4.3
266.09390	3.3
267.09903	1.1
267.12347	7.0
273.09222	1.2
274.06366	2.1
275.06995	2.3
275.10495	1.0
276.07773	2.7
277.08575	9.1
278.09305	3.8
279.06516	2.6
279.09949	1.2
280.07056	1.0
281.11697	10.2
283.09680	3.0
288.07901	2.1
289.08551	10.6
290.09311	2.4
291.06503	2.6
291.10104	4.2
292.07062	1.2
293.08118	2.5
293.11673	4.8
294.08719	2.6
295.06198	1.7
295.09573	3.0
297.10941	2.0
303.10211	1.1
305.07941	2.6
306.08768	5.6
306.66739	1.1
307.09592	3.5
308.06644	1.3
308.10043	1.3
309.11172	12.9
310.11841	1.8
311.09271	1.1
311.12637	1.2
319.09683	1.1
320.10629	1.7
321.11169	22.2
322.11804	2.3
323.09079	3.9
323.12717	1.8
325.10632	2.4
325.14249	2.9
326.07980	0.9
326.11432	19.0
337.10794	5.3
338.11462	11.2
339.12366	5.1
340.12985	18.3
341.13779	52.2
342.14258	1.7
351.12244	2.6
352.12988	18.0
353.13803	21.6
354.14346	1.7
355.15323	4.5
363.12561	1.6
383.15021	1.3
415.17636	5.5
427.17383	8.1
511.12726	2.1
571.15228	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2148
Annotation	Unknow
Peak:m/z	Relative Intensity
62.63282	0.7
68.09304	0.8
69.70473	0.7
69.78800	3.1
69.79210	1.5
70.00311	0.7
70.06576	1.8
72.08156	0.7
84.08128	0.8
86.09698	1.5
98.20741	1.3
100.11245	0.8
101.38502	0.6
117.73521	0.8
120.08112	1.0
137.05966	1.7
153.22670	0.6
160.90289	0.7
184.48947	0.8
308.05090	0.7
395.11026	3.0
410.13379	9.5
511.09979	0.8
607.21436	100.0
608.21722	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2018
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	0.4
53.03941	1.0
55.01864	0.5
57.03419	0.3
61.02916	0.4
65.03914	0.3
69.03421	0.9
70.06585	2.2
70.34773	0.3
70.35105	1.1
71.04989	0.4
72.08150	0.5
74.38927	0.3
77.03919	0.6
77.72668	0.2
78.40936	0.2
79.05483	0.9
81.03408	1.1
81.04459	0.2
84.04446	0.3
84.08138	0.9
85.02904	2.8
86.09694	0.7
87.00812	0.8
89.03902	0.3
91.05473	0.9
95.04978	1.4
97.02869	1.0
98.76331	0.2
99.04427	0.5
102.04662	0.3
103.05459	50.2
104.05780	0.5
105.01836	0.4
105.07016	3.7
107.04922	0.5
109.02875	1.1
115.05465	0.8
118.65643	0.2
119.04920	0.7
120.08102	0.6
121.30857	0.2
127.03923	1.6
129.10275	0.3
131.04915	100.0
132.05272	0.9
133.02916	0.4
133.06483	2.9
137.05948	3.7
141.05582	0.3
145.04951	0.7
147.04384	1.8
151.03934	0.9
155.24933	0.3
159.02872	0.4
161.05968	7.5
163.07527	30.8
164.07872	0.3
170.62053	0.3
175.07597	0.5
179.07048	1.2
187.07535	0.7
191.06989	0.8
199.07536	0.3
203.57805	0.3
277.52579	0.3
279.10318	0.3
291.10098	0.4
296.06839	0.4
298.04620	0.8
301.07172	0.4
311.05380	0.5
311.08972	0.5
311.12631	0.4
313.07007	4.2
323.12805	0.3
324.06171	0.9
325.07013	0.4
337.07086	0.3
338.07965	0.3
339.04883	0.5
339.08624	1.1
351.08728	0.3
353.10172	0.6
359.14755	0.6
365.06177	0.3
367.08151	2.3
377.06271	0.3
379.08112	0.9
391.08197	0.4
397.09335	1.5
409.09036	1.2
419.03961	0.3
427.10083	1.2
445.11200	1.6
511.12424	0.4
607.17432	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	604.3477
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13841	8.8
53.03932	9.8
53.84947	8.8
55.05499	26.0
67.05499	87.3
69.03425	37.6
69.07051	21.2
70.82378	17.0
70.82713	12.1
79.05486	58.2
80.52131	7.8
81.03416	57.9
81.07053	74.6
83.08616	10.1
85.02920	11.4
87.04458	10.5
89.11877	8.8
91.05476	63.2
93.07061	56.2
95.04967	20.3
95.08598	59.9
97.02888	17.3
102.04753	9.6
105.07011	48.1
106.62462	9.6
107.04960	12.7
107.08571	48.5
109.02878	13.2
109.10160	31.9
117.07030	16.0
119.04958	17.9
119.08595	33.5
121.06488	12.7
121.10118	47.7
129.07013	15.9
131.08511	42.2
133.10135	32.3
135.11720	20.3
143.08562	15.2
145.10153	23.8
147.04404	100.0
147.11710	11.5
149.13242	13.4
159.11693	22.1
161.13228	19.6
173.13322	9.0
175.14828	13.7
193.31911	8.1
193.39828	8.3
251.54921	9.5
312.76697	8.9
341.24561	9.0
358.89493	8.9
359.25357	9.1
366.69553	10.3
369.24341	20.9
387.25269	18.2
405.26154	16.8
471.22513	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	607.2018
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	0.4
53.03941	1.0
55.01864	0.5
57.03419	0.3
61.02916	0.4
65.03914	0.3
69.03421	0.9
70.06585	2.2
70.34773	0.3
70.35105	1.1
71.04989	0.4
72.08150	0.5
74.38927	0.3
77.03919	0.6
77.72668	0.2
78.40936	0.2
79.05483	0.9
81.03408	1.1
81.04459	0.2
84.04446	0.3
84.08138	0.9
85.02904	2.8
86.09694	0.7
87.00812	0.8
89.03902	0.3
91.05473	0.9
95.04978	1.4
97.02869	1.0
98.76331	0.2
99.04427	0.5
102.04662	0.3
103.05459	50.2
104.05780	0.5
105.01836	0.4
105.07016	3.7
107.04922	0.5
109.02875	1.1
115.05465	0.8
118.65643	0.2
119.04920	0.7
120.08102	0.6
121.30857	0.2
127.03923	1.6
129.10275	0.3
131.04915	100.0
132.05272	0.9
133.02916	0.4
133.06483	2.9
137.05948	3.7
141.05582	0.3
145.04951	0.7
147.04384	1.8
151.03934	0.9
155.24933	0.3
159.02872	0.4
161.05968	7.5
163.07527	30.8
164.07872	0.3
170.62053	0.3
175.07597	0.5
179.07048	1.2
187.07535	0.7
191.06989	0.8
199.07536	0.3
203.57805	0.3
277.52579	0.3
279.10318	0.3
291.10098	0.4
296.06839	0.4
298.04620	0.8
301.07172	0.4
311.05380	0.5
311.08972	0.5
311.12631	0.4
313.07007	4.2
323.12805	0.3
324.06171	0.9
325.07013	0.4
337.07086	0.3
338.07965	0.3
339.04883	0.5
339.08624	1.1
351.08728	0.3
353.10172	0.6
359.14755	0.6
365.06177	0.3
367.08151	2.3
377.06271	0.3
379.08112	0.9
391.08197	0.4
397.09335	1.5
409.09036	1.2
419.03961	0.3
427.10083	1.2
445.11200	1.6
511.12424	0.4
607.17432	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	604.2344
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05018	2.1
57.03422	3.4
61.02904	1.9
65.28030	1.9
68.05042	1.7
69.03425	14.3
70.18050	3.5
70.18456	6.0
71.36896	1.5
71.81449	1.7
71.99505	1.4
79.05493	3.0
81.03413	5.7
84.04499	100.0
85.02903	26.5
87.04446	1.6
89.56237	1.4
90.04733	1.5
97.02877	9.7
98.20865	3.4
100.52394	1.6
100.59925	1.8
101.07132	13.1
106.06522	8.9
107.04968	6.8
109.02856	3.1
112.03957	3.4
116.04954	15.2
127.03931	4.1
129.06589	14.2
130.04999	30.1
133.07587	10.7
134.05992	24.0
145.04929	1.5
147.07660	6.8
151.08624	7.3
152.05974	1.6
152.07040	8.6
154.97551	1.4
156.08110	4.5
157.06094	6.6
166.07208	2.5
171.09152	9.1
182.67557	1.6
185.07114	3.8
199.08676	12.9
200.07045	3.5
202.08676	1.7
208.08200	2.5
217.09822	4.1
218.08182	3.5
224.83275	1.6
227.08176	3.2
245.09215	17.0
245.82922	1.5
246.07726	2.4
263.10263	20.1
280.12912	67.4
425.15530	4.6
442.18201	75.0
443.18942	1.9
476.41840	1.8
558.57941	1.9
587.20392	2.2
604.23486	96.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	604.2264
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00217	0.2
53.03938	0.4
55.05500	1.3
57.03432	2.3
57.07068	2.0
58.50910	0.2
59.04983	1.1
61.02916	0.4
67.05499	0.5
68.13180	0.3
69.03419	1.4
69.07049	1.3
70.04069	100.0
70.06583	0.7
71.01369	0.4
71.04984	16.1
71.58273	0.2
71.75085	0.2
72.98027	0.2
73.02909	0.7
75.04489	0.4
79.05495	0.6
81.03424	1.1
81.07069	1.0
83.04968	3.7
83.08622	0.5
84.04491	0.2
84.08148	0.3
85.02896	21.1
85.06522	0.2
86.09705	0.3
87.00849	0.2
87.04489	0.4
89.06020	0.4
91.05476	0.5
93.07033	0.7
95.04978	0.6
95.08601	0.9
96.08907	0.2
97.02872	1.4
97.06538	0.2
97.10161	0.3
98.06023	0.2
99.04454	0.8
99.08083	10.0
100.11259	0.3
101.06007	0.7
103.05421	0.2
105.07037	0.8
107.04937	0.2
107.08607	0.6
109.02873	2.2
109.06508	0.3
109.10127	0.5
111.04433	2.8
111.08087	0.3
113.06015	0.2
115.03909	0.2
116.81068	0.2
117.09126	2.2
119.08591	0.6
120.08154	0.2
121.10165	0.6
123.04432	0.6
123.08086	0.4
123.11694	0.2
127.03898	3.3
129.05463	7.5
129.66750	0.2
131.08630	0.2
133.10104	0.5
137.09647	0.4
143.08524	0.2
145.04990	0.8
145.10129	0.4
147.06509	2.2
147.11700	0.4
151.07591	0.3
159.10246	0.2
159.11618	0.3
165.09129	0.9
183.10161	1.5
195.10152	2.3
195.11752	0.3
198.08992	0.2
209.07274	0.4
216.09772	6.7
225.11191	2.3
227.08287	3.4
227.12756	2.5
243.12288	1.7
261.13281	1.9
284.10971	0.2
296.11691	0.4
330.16620	0.2
348.98520	0.2
458.16882	3.0
461.66205	0.2
510.40625	0.2
566.92529	0.2
604.30176	0.3
620.85620	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	604.1655
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	0.4
54.38846	0.4
55.05485	0.6
57.03407	1.5
60.57385	0.3
69.07044	0.4
69.56477	0.8
69.56881	3.2
70.06563	1.5
71.04984	14.9
72.08121	0.9
75.04455	0.7
81.07015	0.4
83.04938	0.6
84.08083	0.4
85.02896	14.9
86.09679	0.9
87.04427	1.1
94.02866	0.6
104.56647	0.3
110.07092	0.4
118.09227	0.3
121.59644	0.3
122.05935	0.4
127.03949	0.4
129.05475	3.0
129.10159	0.4
135.04375	1.1
136.86685	0.3
137.02318	8.5
147.06520	0.5
151.03889	0.9
161.02261	0.8
163.03935	0.4
165.01791	1.7
167.03323	0.7
171.11752	0.4
176.04643	0.5
179.03362	1.6
183.02849	0.9
189.01741	0.6
203.03242	0.4
207.02847	1.0
229.04941	1.1
258.05185	3.9
259.05948	0.5
270.03827	0.9
271.05981	1.8
272.06747	2.6
283.06006	0.7
286.04623	7.8
286.07443	0.7
287.05438	5.6
288.04913	1.0
295.06012	1.1
299.05457	38.3
300.06235	19.6
300.09677	0.8
301.06790	0.8
311.05457	10.2
313.07022	27.0
314.04187	0.5
314.07358	0.7
315.05081	0.6
323.05505	2.6
325.06827	0.7
327.04974	9.6
327.08508	0.5
329.06509	19.9
332.05200	0.5
337.03329	1.6
337.06976	0.5
339.05011	4.2
339.08591	0.8
340.05713	1.3
341.02545	0.6
341.06558	9.4
348.08438	0.5
349.06927	1.0
351.04913	2.5
357.05841	1.8
358.06879	3.2
359.07584	21.5
360.08597	1.5
362.06531	1.0
366.09769	0.5
367.08310	0.5
369.05957	0.6
376.07965	1.1
378.06052	3.7
385.09140	2.1
394.09109	1.7
395.07632	1.0
396.07034	1.9
404.07614	10.7
405.05933	4.5
413.08563	4.3
422.08664	27.2
440.09732	28.5
441.10083	0.8
458.10764	100.0
459.11230	2.2
604.16461	13.7
604.43298	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	604.1656
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.7
55.19262	1.4
57.03419	2.1
61.02920	2.6
61.46870	1.3
65.03927	2.1
69.03424	2.3
70.06570	5.3
71.04955	1.2
71.29012	2.4
71.29341	1.4
72.08151	1.4
73.02912	1.5
79.05470	1.4
81.03401	2.7
83.21511	1.3
84.08115	2.2
85.02892	6.0
86.09681	2.4
87.04459	1.6
91.05458	3.4
93.07036	1.4
94.02905	3.0
95.04935	1.7
95.08562	1.5
97.02876	1.9
103.03908	3.3
105.07057	1.2
107.04917	1.5
108.71432	1.2
109.02847	1.9
112.92139	1.3
117.73430	1.1
119.04935	7.6
120.08157	1.3
121.02860	31.4
127.16018	1.1
139.03896	1.8
145.02808	5.1
153.17625	1.3
160.03984	2.2
161.02187	1.2
163.03960	2.7
167.03186	1.3
172.78580	1.4
179.03394	1.9
189.01833	6.5
191.03403	3.5
195.02859	4.9
201.01904	2.0
203.03329	3.9
204.04218	1.5
207.02905	6.4
217.01231	1.9
217.04869	1.5
219.02850	4.8
221.04558	1.4
228.02870	1.4
229.04839	1.9
231.02850	2.4
245.00822	2.3
245.04404	1.5
248.11150	1.2
249.03769	1.9
256.06003	1.4
257.04453	2.3
263.01660	1.6
267.06586	2.7
268.07129	1.9
279.06348	2.1
281.08145	1.8
283.06036	8.2
284.06216	1.4
292.07523	1.5
293.08029	2.1
294.05261	18.3
295.05966	36.8
296.06702	4.5
297.07571	8.9
307.05969	42.4
308.06763	9.3
309.07425	9.6
312.05896	2.7
313.07040	6.0
319.05948	8.5
320.06732	6.4
321.07529	14.2
322.08240	1.6
323.05481	3.2
323.09073	2.5
325.07028	28.0
326.07782	2.5
331.05923	3.3
333.07477	3.5
335.05322	3.5
335.09149	3.4
336.06235	4.4
337.07047	23.0
339.08496	2.9
344.08929	1.4
345.03781	3.2
347.05240	2.3
347.09012	2.9
349.07025	14.7
351.08560	3.2
353.06400	1.6
355.07980	3.0
356.09003	4.6
357.07346	6.1
358.07092	3.1
359.08270	1.7
361.06812	4.8
363.04562	6.7
363.08588	3.1
365.06354	7.0
367.08099	3.9
368.09134	6.9
374.06378	4.8
374.10287	3.9
375.08450	4.2
377.06445	5.4
379.07950	5.1
384.08643	7.4
385.06952	1.6
386.06424	3.4
387.08359	1.5
388.08072	2.4
391.07953	3.8
400.08115	14.0
401.06393	2.6
402.09720	8.6
403.08038	3.6
404.07562	12.4
409.09064	2.1
412.08102	15.7
413.06418	7.7
418.09274	10.8
421.08929	5.0
426.09842	2.7
427.09842	4.3
428.07449	3.3
430.09167	31.1
431.07663	10.4
436.09897	5.0
439.09979	5.0
442.08704	1.7
448.10266	34.6
449.08902	2.6
454.09955	4.8
455.07492	2.6
457.11304	2.5
460.10376	2.6
466.11313	100.0
467.11087	1.4
472.10434	9.5
484.12299	18.4
485.93338	1.4
488.09561	2.1
490.11111	3.7
496.10355	3.5
502.10980	2.3
506.10547	4.6
508.12067	2.3
514.11163	5.1
515.09436	2.2
520.11713	2.2
526.12335	1.9
532.12311	8.2
541.13098	3.3
550.13403	44.0
568.14447	26.5
586.15265	14.5
604.16333	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	604.1652
Annotation	Unknow
Peak:m/z	Relative Intensity
56.79694	1.5
58.84103	1.7
62.26750	1.6
65.03917	1.9
69.03388	1.9
69.41937	12.7
69.42365	5.9
70.06583	3.9
74.02474	1.6
81.03455	2.5
84.08061	1.6
85.02910	5.2
86.09686	3.2
103.03942	2.3
107.04988	2.6
112.03271	1.8
119.04918	10.6
121.02848	46.6
131.04965	2.2
137.05850	1.8
145.02821	5.3
163.03900	2.3
179.03357	2.4
181.04930	2.1
189.01820	10.9
190.02632	2.1
191.03412	7.3
195.02919	7.6
199.03914	2.3
200.04771	1.9
201.01778	2.1
201.05574	3.0
203.03285	10.3
207.02843	9.2
213.05525	2.8
215.03429	2.4
217.04927	7.3
219.02881	4.9
221.04361	3.0
227.03290	2.4
229.05038	3.9
235.02252	2.2
241.05005	2.1
243.70979	2.0
245.04436	2.6
255.02922	4.0
267.06589	5.6
268.07245	5.6
270.05362	1.9
273.04062	2.4
279.06528	8.0
281.08102	5.4
282.04773	5.9
283.05969	23.1
284.06796	10.3
291.06366	2.6
292.07166	2.4
293.08096	6.7
294.05258	19.5
295.06018	77.9
296.06769	7.8
297.07629	11.9
305.08093	2.9
307.06006	90.5
307.09286	3.7
308.06662	21.7
308.09644	2.4
309.04233	3.1
309.07529	41.8
309.10922	3.9
313.07098	5.7
319.06046	9.5
320.06750	8.9
321.07547	45.3
322.08319	12.9
323.05432	7.5
323.09183	7.0
325.07034	39.5
329.07913	2.3
331.05927	2.2
333.07614	10.6
334.08032	2.5
335.05377	9.6
335.09119	30.4
336.05893	4.2
336.09415	4.1
337.07047	62.2
339.08566	5.6
343.08356	2.2
345.07562	7.7
346.07315	5.5
347.05325	3.8
347.09116	11.7
349.07019	22.2
349.10901	4.2
350.07684	3.6
351.08585	13.3
353.06424	7.6
355.08197	11.8
356.09235	5.6
357.07510	2.9
359.09030	2.0
361.07043	14.3
363.08691	19.4
365.06296	3.0
365.10315	3.9
367.08167	22.4
373.07092	10.5
374.06573	10.5
375.08768	12.5
377.06317	4.3
379.07965	15.8
381.09714	6.3
385.08759	7.8
387.08649	8.1
390.09641	13.4
391.08060	16.9
393.09412	4.5
395.11429	3.4
400.08157	13.8
401.06470	10.0
403.08185	15.6
404.07495	2.4
405.09573	5.0
409.09167	38.2
415.08026	2.8
418.09137	58.1
421.09052	14.0
430.08817	12.5
433.09247	7.2
436.10275	53.5
439.10028	8.4
442.11279	4.1
444.11066	2.9
448.10107	5.6
451.10220	13.2
454.11310	74.5
456.10959	2.7
457.11172	3.9
458.12131	3.5
463.09518	2.2
466.11295	39.0
469.11212	6.3
472.10294	4.5
484.12421	53.4
487.11993	4.1
490.11169	15.6
496.10178	5.3
498.89471	2.1
502.11368	2.9
504.12863	2.9
505.10880	2.5
508.12341	100.0
514.11292	8.5
520.12408	15.8
532.12280	32.6
538.05750	3.4
538.13422	53.1
550.13354	37.8
568.14471	63.1
586.15601	32.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	604.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01849	1.8
56.88561	1.4
57.03454	2.1
62.67106	1.5
65.03951	1.4
70.06578	5.3
71.74623	3.3
72.08150	1.7
75.51236	1.3
81.03387	1.4
82.65067	1.4
85.02889	4.9
86.09694	2.7
91.05447	3.0
93.03374	1.8
103.05495	1.4
106.13326	1.2
107.04923	1.5
113.66408	1.5
119.04198	1.9
119.04926	8.9
121.02847	43.0
137.02301	1.8
139.03783	1.5
145.02832	4.1
147.04376	2.1
151.03917	1.6
155.76584	1.6
159.04327	1.8
163.03903	1.6
176.90787	1.5
179.03397	2.8
183.02812	1.4
187.03864	1.7
189.01782	10.0
191.03320	6.7
193.04927	1.5
195.02896	5.4
199.04019	1.6
201.01823	2.6
203.03395	9.3
204.04303	2.1
205.01373	1.5
207.02890	8.5
213.05411	1.7
217.01234	2.0
217.04904	6.3
219.02878	8.7
221.04497	4.7
222.05815	1.3
226.71690	1.5
227.03374	4.0
229.04887	4.6
231.02837	2.5
235.02145	1.5
239.03355	1.5
243.02859	2.0
245.04459	3.2
255.02982	2.5
257.04462	3.9
267.06491	6.0
267.09521	1.4
268.07242	5.7
273.03979	1.7
279.06503	10.0
280.07187	2.7
281.08060	4.3
282.04965	5.1
283.05887	16.6
284.06769	15.0
285.03931	2.3
291.06491	2.0
292.06870	2.3
293.07874	7.5
294.05179	22.3
295.05978	65.7
296.06775	10.2
297.07489	12.3
298.08344	1.9
305.07855	1.9
307.05969	81.2
308.06717	30.5
309.07486	28.5
313.06958	6.5
317.07938	3.4
319.05991	10.0
319.09250	2.4
320.06668	7.2
321.07516	38.6
322.08267	13.8
323.05423	5.0
323.09085	4.5
323.79602	1.4
325.07001	35.6
333.07501	8.6
334.08325	2.8
335.05414	12.8
335.09109	18.4
336.05795	7.0
336.09637	2.4
337.02951	3.2
337.07022	52.5
339.08728	4.7
345.07452	4.4
346.07175	4.7
347.05292	4.1
347.09055	10.7
349.07010	20.4
349.10748	2.5
350.07520	3.7
351.08694	15.2
353.06345	4.6
355.08044	4.5
356.09128	3.0
359.09009	1.9
360.06219	2.5
361.07028	13.9
363.08517	14.4
365.06204	3.8
365.10385	4.6
367.08041	14.9
372.08524	1.8
373.06873	9.3
374.06610	7.8
375.04523	2.3
375.08524	9.0
377.06479	5.2
379.07993	16.7
381.09729	5.3
385.07098	2.2
387.08405	2.2
390.09576	8.6
391.08124	13.6
393.09760	3.9
400.07990	12.4
401.06372	7.8
402.09677	3.9
403.08130	12.1
404.07690	4.6
405.09305	2.0
409.09119	16.9
415.08115	1.9
418.09158	47.2
419.08539	1.7
421.08969	10.1
426.09396	1.8
427.07935	1.6
428.07953	2.4
430.09259	9.8
433.09109	3.4
436.10196	42.8
439.10175	6.1
442.11462	6.7
444.10696	4.8
448.10269	8.4
451.10611	3.7
454.11304	65.0
457.11243	2.8
458.12033	4.5
463.10309	2.8
466.11292	44.8
468.10425	1.7
469.11429	1.6
472.10037	6.0
484.12308	57.4
490.11279	18.7
496.10260	2.3
502.11020	3.3
504.12497	2.1
508.12341	100.0
509.12576	2.2
514.11249	7.2
520.12225	10.8
532.12323	27.9
538.13373	43.6
538.21533	2.4
550.13397	37.7
568.14392	55.0
586.15472	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	604.1658
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54348	0.5
53.03915	0.9
55.05502	1.4
57.03432	7.1
59.04986	1.6
61.02913	0.7
67.05490	2.2
68.99789	1.2
69.03415	2.0
69.07056	1.6
69.55303	4.7
70.06583	2.7
71.04984	48.2
72.08139	1.5
72.09251	0.5
73.02910	1.5
73.91462	0.5
75.04470	1.9
79.05457	0.9
81.03400	1.1
81.07050	4.2
83.04973	1.2
83.08572	0.7
84.08131	1.9
85.02896	46.7
85.06520	0.8
85.61482	0.5
86.09685	2.8
87.04465	2.8
88.13064	0.5
89.06015	1.8
91.05457	1.5
93.03380	0.8
93.07021	1.1
94.02921	0.8
95.01323	0.6
95.04942	0.7
95.08598	3.1
96.68298	0.5
97.02904	1.0
97.06485	0.7
99.04434	0.8
101.05984	1.0
105.07017	1.3
107.08557	1.4
109.02841	1.1
109.10146	0.9
111.04440	0.9
112.03928	0.6
115.07552	0.7
116.07059	0.5
119.08540	1.0
121.02752	0.6
121.10139	0.8
123.11678	1.4
127.03922	0.9
129.05458	9.8
133.08594	1.0
133.10173	0.7
135.04405	1.8
137.02339	10.9
137.09586	0.5
137.13235	1.3
140.10667	0.8
141.12723	1.5
145.10155	0.5
147.04413	0.7
147.06480	0.9
151.03911	0.9
151.07550	0.5
155.14304	1.2
160.03926	0.8
161.02328	2.7
165.01773	3.3
165.09081	1.4
167.03391	1.2
177.01823	0.8
179.03354	2.6
183.02890	2.1
187.03839	0.7
189.01833	1.1
195.02950	0.9
203.03380	0.8
207.03011	1.3
211.03587	0.5
212.16600	0.5
221.00827	1.2
221.04500	0.7
229.05157	0.7
242.04327	0.6
245.04404	0.6
258.05237	1.6
270.04004	1.0
271.06030	2.3
272.06805	2.2
281.04388	0.9
283.06003	2.3
286.04709	4.7
287.05481	5.8
288.04849	0.9
289.03510	0.7
295.05997	2.2
297.07504	0.8
298.04764	0.5
299.05463	40.2
300.06244	13.4
310.04645	0.9
311.05484	10.2
311.09167	0.6
313.03580	2.1
313.07001	30.3
316.13971	0.5
321.07452	1.2
323.05396	5.7
324.05954	1.0
325.03546	0.9
325.07071	2.9
327.04913	3.7
329.06528	20.3
337.03400	6.6
337.07104	1.6
339.04950	3.8
339.08759	1.8
339.12674	0.5
340.05511	0.6
341.06528	11.1
349.07056	4.0
351.04819	3.6
353.06500	1.0
355.04401	0.8
358.07022	1.1
359.07578	22.1
360.08572	3.8
362.06726	0.9
366.09485	1.3
367.07983	1.4
376.07977	2.6
377.06497	1.8
378.06009	8.2
385.08969	0.8
386.06699	1.3
392.34604	0.6
394.09164	3.3
395.07562	2.7
396.07065	1.7
404.07608	21.8
405.06015	12.7
406.29724	0.7
413.08752	2.0
422.08664	44.9
424.29901	0.8
440.09741	39.7
441.09943	0.7
442.10764	0.6
446.08371	1.1
458.10770	100.0
459.11011	1.6
464.09973	0.7
482.10590	1.5
550.13538	1.2
568.14838	0.9
586.15308	0.7
603.37726	0.6
604.16473	4.0
604.25500	0.7
604.30023	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	604.1656
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03407	0.5
69.63264	0.6
69.63674	2.7
70.06588	1.9
71.04955	1.0
79.01825	0.7
79.05478	0.3
84.08077	0.3
85.02900	1.8
86.09666	1.1
87.04406	0.4
93.03374	0.6
104.34032	0.4
106.76667	0.4
119.19907	0.3
120.08044	0.4
135.04369	0.9
137.01407	0.5
137.02336	5.6
161.02368	0.7
161.79434	0.4
172.84814	0.3
179.03320	1.3
183.02898	0.4
224.42635	0.3
229.04942	1.2
239.18307	0.3
243.06436	0.4
258.05173	1.3
259.06021	0.4
271.05984	1.5
272.06729	3.4
275.05389	0.6
283.05878	0.4
286.04599	2.4
287.05463	3.5
299.05475	26.6
300.06247	17.1
301.06729	0.6
311.05469	5.9
313.07028	49.9
314.07330	1.1
315.05145	0.5
323.05396	0.7
327.05017	4.9
329.06537	18.3
339.04947	2.6
340.05707	1.1
341.06528	15.5
351.05008	1.4
357.06082	1.2
358.06720	1.0
359.07571	42.6
360.08090	1.1
367.08002	0.4
378.06039	2.9
385.09064	1.2
394.09198	1.0
396.07272	0.7
404.07462	2.2
407.11566	0.4
413.08664	2.6
422.08667	10.6
440.09708	9.2
458.10776	100.0
459.11118	2.0
604.16498	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	604.1661
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.0
55.01854	0.9
55.05477	1.6
56.05017	1.0
56.08968	0.5
57.03431	3.2
59.04976	0.7
61.02900	1.3
66.55006	0.5
67.05474	2.7
69.03424	4.3
69.07068	1.3
70.06591	5.3
71.04620	1.0
71.04987	15.1
71.20646	0.5
71.73406	0.7
72.08161	3.5
73.02905	1.1
75.04413	0.7
79.05469	2.0
80.04995	0.7
81.03401	1.3
81.07048	4.7
83.04958	1.8
84.04488	1.5
84.08126	2.5
85.02399	1.1
85.02900	18.9
85.06531	0.9
86.06031	1.1
86.09680	2.7
87.04436	1.3
89.06021	0.9
91.03931	0.6
91.05458	2.4
91.05986	0.7
93.07020	2.3
94.02869	0.8
95.04955	1.5
95.08587	2.9
97.02914	1.2
97.06502	1.0
101.05993	1.4
105.07020	1.5
107.08563	1.7
109.02842	1.1
109.10098	1.0
111.04454	0.8
116.07108	0.7
117.06964	0.6
119.08588	1.1
120.08090	1.1
121.10116	1.0
127.03900	1.8
129.05457	2.5
129.06892	0.6
129.10155	1.1
130.05022	1.0
130.06470	0.6
131.04858	0.8
131.08516	0.7
133.02794	1.0
133.08618	0.8
133.10094	1.5
135.04382	1.7
137.02342	16.9
137.05930	2.1
141.12700	0.8
143.08511	0.9
145.04959	0.9
146.06038	0.9
147.04349	1.0
149.02455	0.7
149.10750	4.3
151.03867	1.4
155.14374	1.2
160.03923	0.8
161.02332	2.2
161.06004	0.8
164.03369	1.2
165.01834	2.2
167.03400	0.8
177.01805	2.3
177.03304	0.7
179.03317	1.2
183.02867	1.0
189.01848	1.3
191.03397	1.1
192.04163	2.8
195.02884	2.0
203.03468	0.8
207.02911	1.2
212.16470	1.9
213.16760	0.9
219.02927	0.9
228.62613	0.6
231.04500	0.6
254.17459	1.0
255.17836	1.3
271.06104	1.7
272.06760	2.8
272.18524	1.8
273.18848	1.5
283.06091	1.5
286.04672	1.8
287.05490	5.3
294.87411	0.7
295.06012	1.9
297.07593	1.2
299.05481	23.7
300.06277	17.2
301.06915	1.0
306.44736	0.6
307.06039	1.0
310.04449	1.6
310.07443	1.2
311.05472	28.4
313.03400	1.1
313.06998	8.0
321.07562	0.9
323.05469	5.2
324.06049	1.3
325.03534	1.0
325.07129	3.8
327.04926	1.9
328.05746	6.2
329.06531	38.8
335.05640	1.1
337.03381	4.2
337.07141	2.1
338.06754	2.0
339.05029	2.8
339.08701	1.4
341.06601	4.2
342.06189	1.9
349.06961	2.1
351.04971	1.4
352.08163	1.5
353.06512	3.5
357.05969	3.0
360.08734	1.3
362.06479	1.4
363.08810	0.9
365.06595	0.9
366.05835	0.8
367.07562	1.0
368.07571	0.9
374.21783	1.0
375.21872	1.4
376.08228	2.1
377.06351	1.3
378.06113	4.4
379.08392	0.7
380.07532	4.2
382.05676	1.2
384.07132	10.7
385.09470	0.8
385.21759	0.8
391.07745	0.8
394.09155	1.0
395.07608	1.0
396.07034	2.6
400.08374	1.3
404.07608	10.7
404.74457	0.6
405.05902	5.6
409.09332	0.9
413.08582	1.1
421.09131	1.0
422.08658	16.3
424.10205	0.9
428.07919	1.2
440.09720	28.6
442.11243	9.0
442.27835	0.7
446.08722	3.6
458.10794	100.0
459.11139	1.6
464.09833	4.7
482.10645	7.1
488.10074	1.0
500.12070	1.3
506.45374	0.7
514.11005	1.2
524.11548	0.9
532.12201	2.2
550.13446	6.8
556.05579	0.7
568.14307	5.3
586.15338	2.2
604.16522	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	603.4253
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	4.6
55.01867	9.0
55.05511	17.3
57.07071	3.7
63.15278	2.2
66.76065	2.2
67.05503	35.9
69.07041	16.2
69.38809	28.0
71.04971	4.0
71.08620	3.2
78.55775	2.5
79.05486	35.0
81.03391	4.1
81.07053	88.0
83.04964	4.4
83.08613	12.2
85.06519	2.7
91.05481	27.4
93.07040	27.3
95.04950	15.1
95.08624	22.2
97.06508	7.4
97.10152	3.3
103.00735	2.1
105.07032	27.7
107.04932	12.0
107.08574	18.3
109.06505	31.1
109.10146	8.9
111.08065	3.3
112.33808	2.2
117.07004	9.5
119.08572	23.5
121.06489	7.2
121.10155	11.7
123.08057	8.6
123.11690	6.8
125.09638	3.3
129.06984	5.0
131.08549	14.8
133.06476	2.8
133.10126	19.2
135.08014	6.1
135.11674	3.7
137.09615	5.1
143.08551	3.2
145.10123	15.0
147.08153	2.2
147.11690	16.8
149.09586	8.7
149.13243	9.0
151.11140	3.3
155.08548	2.5
157.10086	4.6
159.11652	8.1
161.13271	3.6
163.11166	10.8
165.12697	5.1
169.10129	2.3
173.13257	7.1
175.11232	3.9
177.12692	2.7
178.91960	2.4
187.14821	3.7
193.12271	4.3
229.19511	5.7
247.20523	6.8
255.22906	2.6
257.18985	8.8
275.20062	100.0
275.48343	2.3
277.21909	3.0
293.21103	38.5
404.35989	2.5
404.51239	2.3
447.57361	2.7
533.32471	2.7
585.41046	3.2
603.40717	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	603.425
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42122	3.1
53.03924	5.9
55.01865	9.9
55.05503	35.0
57.03421	7.8
59.80765	3.2
61.96207	4.0
66.76324	3.4
67.05499	75.8
69.07068	33.3
69.57293	34.9
71.04977	6.5
79.05492	50.9
81.07045	83.5
83.04963	8.8
83.08606	17.3
85.75221	4.3
89.06037	4.3
91.05475	54.5
93.06514	4.5
93.07040	48.8
95.04949	15.9
95.08597	51.1
97.06507	11.0
97.10144	15.5
105.07015	56.4
107.04936	12.8
107.08586	39.7
109.06510	12.4
109.10157	29.9
111.08097	4.6
117.06984	24.2
119.08562	56.0
121.06511	5.7
121.10155	25.7
123.08044	9.7
123.11693	7.8
125.09634	9.3
129.06998	8.3
131.08554	24.8
133.10117	48.7
135.08044	8.0
135.11668	17.3
136.82843	3.9
137.09657	5.6
141.06908	4.9
143.08530	9.2
145.10144	22.1
147.11690	21.8
149.09616	12.6
149.13232	10.0
151.11237	6.3
155.08496	7.2
157.10092	8.9
159.11642	14.9
161.13243	11.1
163.11186	10.1
169.10158	6.9
171.11702	10.3
173.13210	7.8
175.14767	4.1
177.12686	4.2
181.10385	3.7
181.12106	6.5
183.13824	3.9
187.14798	4.9
189.11198	8.0
195.13765	7.9
197.13313	4.6
229.19530	4.2
233.15436	3.8
235.17014	5.9
239.17963	4.4
249.18266	4.2
257.18958	9.3
275.20038	100.0
277.21713	3.9
291.19620	4.9
293.21072	15.9
372.97421	4.0
386.44821	3.6
420.13580	3.6
431.18811	10.6
487.92465	3.9
585.41656	5.9
603.42938	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	603.4251
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	11.2
55.01870	7.8
55.05507	32.9
57.03423	4.7
65.03942	4.6
67.05500	78.2
69.07061	31.9
71.72723	3.8
79.05486	66.3
81.03399	6.7
81.07043	82.4
83.04979	9.5
83.08604	21.8
83.98531	4.6
85.06521	4.3
89.06040	6.4
91.05473	58.1
93.07032	57.2
95.04953	16.2
95.08589	53.6
97.06509	12.4
97.10152	15.7
99.08064	5.5
103.05508	4.3
105.07014	57.8
107.04980	7.1
107.08564	36.8
109.06500	9.8
109.10148	29.7
111.08052	5.4
117.07013	18.1
119.08574	47.7
121.10137	20.7
123.08051	5.6
123.11686	7.3
125.09631	11.0
129.06978	10.0
131.08542	28.8
133.10109	49.5
134.41743	4.6
135.08051	8.8
135.11674	16.6
137.09621	6.7
143.08569	10.8
145.10129	19.4
147.11673	19.5
149.09601	12.3
149.13260	9.0
151.11189	5.7
156.58527	4.4
157.10095	7.2
159.11682	20.6
161.09641	6.0
161.13287	12.3
163.11104	7.2
171.11754	10.4
173.13249	10.2
177.12741	6.6
181.12181	4.7
183.11688	8.8
185.13402	4.4
195.13898	4.9
197.13358	4.7
209.67117	4.9
229.19528	7.7
235.16881	5.6
239.18045	5.7
257.18994	9.8
275.20053	100.0
277.21613	9.2
293.21127	18.1
456.03345	5.1
472.32202	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	603.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73661	1.7
56.96562	20.4
70.06575	4.7
71.74927	2.3
72.85139	1.6
81.07041	4.9
84.08114	3.0
84.95999	5.7
86.09689	3.7
97.35139	1.8
98.97561	59.7
110.07155	1.6
110.97540	7.8
112.99133	5.7
116.98602	38.1
127.00622	2.9
128.98579	14.0
131.00136	11.4
134.99640	20.6
137.05890	1.9
140.00127	4.4
140.98566	1.4
143.00143	4.7
144.98105	2.5
145.01718	3.4
146.99626	12.5
149.01208	11.0
153.00705	2.0
155.00165	1.8
158.99619	21.9
161.01208	7.5
162.99115	3.6
170.99644	15.7
173.01212	12.4
177.00703	33.8
182.99699	2.6
185.01181	3.9
186.99269	2.2
189.00681	17.1
191.02351	7.8
194.99641	6.8
195.01700	2.5
200.02258	3.7
201.00674	10.7
202.12138	1.7
203.02330	3.0
207.01767	1.8
212.02313	2.3
213.00676	13.8
215.02209	1.9
217.00323	1.7
219.01747	35.5
229.11032	2.0
231.01712	12.4
235.10069	3.1
236.21869	1.6
237.02800	46.4
242.03368	2.6
243.01750	6.0
253.11128	4.9
255.04005	3.2
259.01208	1.6
260.04388	4.7
261.02737	12.1
273.02750	9.2
279.03827	12.7
295.12228	6.0
303.03903	3.5
321.05051	2.7
355.14267	30.5
373.15237	14.8
396.16837	2.0
397.15253	23.9
415.16357	3.4
423.08176	2.6
465.06577	4.9
467.07980	21.7
517.19531	100.0
518.19696	3.8
518.96674	1.6
524.47101	1.7
559.20746	22.1
603.20416	54.0
604.21198	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	603.4251
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	8.2
55.01861	26.2
55.05507	58.3
57.03433	4.7
59.04996	8.3
67.05500	100.0
69.03418	7.8
69.07063	61.3
69.81287	11.7
69.81720	16.5
70.06579	5.9
71.04971	6.5
79.05483	70.1
81.03408	11.7
81.07049	91.6
83.04971	15.9
83.08617	38.9
85.06521	7.0
91.05470	62.4
91.71694	3.8
93.07036	64.7
95.04962	23.9
95.08591	57.4
97.06536	21.4
97.10156	31.9
100.18208	4.4
105.07019	70.6
107.04926	11.3
107.08578	53.2
109.06527	9.9
109.10145	35.0
111.08049	7.4
115.05428	4.3
117.07001	34.0
119.08574	56.3
121.06516	10.7
121.10146	38.7
123.08080	11.9
123.11717	6.9
125.09629	31.0
128.06190	6.0
129.06998	18.0
131.08557	38.5
133.10118	41.6
135.08041	9.3
135.11670	15.8
137.09604	10.2
139.11189	7.3
141.06993	4.3
143.08549	17.4
145.10109	35.2
147.08049	7.7
147.11707	22.9
149.09616	16.5
149.13278	6.0
151.11227	4.4
152.44589	3.4
153.09094	4.1
155.08578	6.4
157.10132	16.0
159.08076	7.2
159.11687	23.8
161.13268	12.6
163.11189	12.6
169.10107	12.0
171.11705	15.5
173.09671	4.9
173.11708	11.9
173.13284	16.9
175.11154	8.5
175.14888	3.7
177.12752	4.9
181.10112	5.9
183.11699	11.5
185.13239	7.8
187.11223	5.8
187.14813	4.9
189.11272	21.5
189.12759	7.8
193.12120	6.3
195.11732	7.1
197.13356	7.0
201.12848	4.5
209.13344	7.6
211.13240	6.4
213.16594	4.5
227.17943	4.7
239.18027	5.5
241.19843	3.7
248.97398	4.3
257.19086	11.7
275.20029	80.2
277.21646	5.2
291.19553	24.8
293.21127	16.1
315.23251	4.5
319.22842	10.5
350.67532	4.5
381.27695	5.9
399.28827	14.8
413.30661	6.7
455.31628	7.4
465.14185	3.9
470.25677	4.2
473.32483	11.3
487.33926	9.6
531.38043	5.4
549.39404	12.2
567.40399	21.2
585.41156	16.3
603.42871	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	603.1963
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05028	2.2
58.36368	1.8
58.99570	3.4
60.04518	1.5
61.02919	1.8
67.63877	1.3
68.05028	2.0
69.03427	8.1
70.06590	1.3
71.73949	2.3
76.02223	20.1
76.03990	1.8
79.02322	1.6
79.05470	4.6
80.05010	6.3
84.04496	26.2
84.08100	1.6
85.02903	10.2
86.00647	1.9
86.09743	1.7
86.99087	1.5
87.93581	1.5
88.02203	1.9
97.02883	3.7
97.60458	1.5
106.06547	6.5
107.04971	7.6
111.63220	1.6
114.03735	5.5
116.01642	10.5
116.04977	15.5
124.02184	1.5
125.00448	1.4
126.89245	1.4
127.03934	2.1
129.06870	1.5
130.04976	13.8
133.07619	4.7
134.06000	14.6
141.04787	2.6
142.03209	62.2
143.02740	3.9
144.01135	2.2
144.08122	3.2
151.08647	2.3
156.08095	3.8
157.06105	2.7
162.02237	5.9
169.04298	2.4
170.02705	21.2
171.09155	10.1
172.07643	2.5
179.04839	3.5
185.06999	1.9
187.05412	3.9
189.03305	2.6
199.05434	4.1
199.08646	11.6
200.07088	2.5
215.04924	2.4
218.08035	1.9
227.04855	5.0
227.08150	5.6
243.04329	2.1
245.05919	15.8
245.09262	12.0
263.10242	19.1
291.06445	2.6
425.15707	5.6
441.14325	41.8
517.95770	1.9
569.64252	1.6
603.19623	100.0
604.20221	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	603.0709
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17277	1.5
55.83536	1.7
56.96298	3.0
56.96559	36.1
71.73767	2.4
71.74135	2.2
74.20672	1.8
74.97588	2.2
84.96022	28.0
86.17265	1.4
98.97567	33.9
100.99119	3.9
102.97051	6.1
110.97523	2.6
115.00709	2.7
116.98603	33.4
120.98122	2.1
124.99075	10.2
128.98584	9.3
129.03253	1.7
133.01715	5.0
134.99632	19.1
143.00148	49.7
144.98094	9.0
146.99609	8.4
153.00714	3.8
158.01234	1.7
158.99594	11.7
159.28439	1.7
161.01207	100.0
162.99130	13.7
166.01656	3.3
168.98154	2.6
170.99651	4.8
173.01285	1.5
175.02705	2.2
177.00679	18.4
179.02248	18.3
181.00217	4.8
184.02811	6.2
185.01222	6.7
185.67552	1.5
186.99107	17.5
189.00668	9.8
195.01805	2.0
202.65700	1.8
203.02272	13.0
205.00177	46.2
205.03555	1.8
207.01788	1.9
219.01784	3.9
223.01237	39.7
228.01878	2.4
229.00247	4.9
230.98117	4.8
234.99020	3.2
237.02809	3.0
241.02255	2.1
245.03427	2.3
247.01201	4.3
248.99196	24.0
251.04492	1.8
267.00192	31.2
272.99182	5.1
275.04230	2.6
285.01273	2.0
290.01639	1.7
291.00174	40.0
303.00281	6.8
307.03650	2.1
309.01273	19.9
317.01971	3.7
321.01233	22.5
332.02817	3.9
339.02441	3.3
342.99710	1.9
349.04651	1.9
351.02335	4.5
361.00681	3.3
393.03326	21.1
395.97681	1.9
401.65286	2.2
404.99615	13.9
411.04404	64.8
423.00793	21.6
429.04669	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.2954
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	0.6
57.07071	6.7
58.06593	2.9
58.30037	0.6
60.04516	0.8
70.06586	24.6
71.08607	3.2
71.75140	0.8
72.08125	0.6
73.06055	0.5
74.06071	0.8
79.05473	0.5
81.07036	0.6
84.08128	1.2
88.07621	25.5
96.80679	0.5
98.91627	0.5
102.09174	15.3
103.68709	0.6
105.03387	0.6
110.15722	0.5
131.04805	0.5
134.92120	0.5
139.03889	1.4
147.04457	1.0
149.02328	46.5
156.17430	0.9
175.03918	1.8
177.05458	1.3
185.09621	1.0
193.04953	54.9
194.05388	0.7
200.20081	59.7
201.20323	0.5
202.12254	3.0
219.06514	1.3
225.05516	0.9
237.07564	14.3
244.22804	1.8
269.04703	0.8
297.03809	3.3
313.07172	2.3
341.06537	11.1
342.06873	0.8
359.07581	7.4
385.09128	19.6
386.09543	0.8
429.11783	32.8
430.12204	0.9
584.28241	2.4
602.29547	100.0
603.29999	3.6
603.75421	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.31
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56805	1.9
53.03943	2.6
53.11736	2.2
55.01865	2.2
55.05505	6.3
58.99582	8.3
67.05495	17.4
69.07069	11.8
69.93101	2.1
70.06603	6.1
70.21217	4.0
70.21629	7.8
72.08141	3.5
74.00667	6.5
76.02229	16.0
76.03964	2.1
79.05483	24.3
81.07051	20.9
81.47887	2.2
83.08626	5.3
84.04498	8.6
86.09718	3.1
86.99039	3.9
88.02211	2.7
91.05470	15.1
93.07039	30.0
95.04967	3.6
95.08598	22.0
97.06483	2.2
97.10182	3.1
105.07029	11.3
107.08580	21.5
107.14625	2.7
109.06484	2.7
109.10168	5.5
111.08090	3.0
116.01670	24.2
117.07044	4.5
119.08577	11.5
121.10133	14.9
129.06667	3.8
130.05006	5.6
131.08575	6.3
133.10110	7.5
135.08017	1.9
135.11700	19.3
137.05988	4.4
138.06462	2.1
142.03194	6.5
143.08501	5.6
144.01137	7.7
145.10112	4.8
147.11661	8.4
149.13228	11.6
149.41483	2.4
159.11636	2.6
161.13234	4.2
162.02194	39.4
163.14778	2.5
170.02869	2.7
173.13333	2.7
179.04826	19.5
185.13315	3.1
241.19429	3.4
259.20590	9.5
275.20071	2.8
277.21600	100.0
277.24615	5.2
308.09143	3.1
308.88611	2.6
309.18707	2.5
311.48404	2.2
334.22256	2.5
352.23096	4.5
370.24084	22.1
438.23050	4.4
455.25464	15.5
473.26950	19.5
511.87610	2.5
527.27899	14.5
574.30762	2.8
587.39069	2.5
588.47729	3.3
602.30951	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	601.4255
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.3
55.01869	4.5
55.05502	25.1
55.38385	2.5
57.03432	5.8
57.07071	13.7
59.04997	6.2
63.23236	2.3
63.96827	2.4
65.03941	5.3
67.05499	42.3
69.03421	17.7
69.07057	25.0
70.06574	5.1
70.98421	7.5
79.05486	40.7
81.07051	65.0
83.04964	18.7
83.08604	14.7
85.06546	6.7
87.04449	3.8
89.06034	3.6
91.05468	58.2
92.05848	2.7
92.86707	2.9
93.06441	4.3
93.07035	83.1
94.07327	4.0
95.04960	27.6
95.08601	48.2
97.06538	14.6
97.10184	3.3
101.30373	2.9
103.05447	4.2
105.07023	99.0
105.07729	5.1
106.07327	3.2
107.04974	8.2
107.08577	74.5
109.06512	32.4
109.10137	31.1
111.08063	6.4
111.11764	4.1
113.06014	4.8
115.05449	5.9
116.07102	8.8
117.06993	24.2
119.08566	100.0
120.08867	3.2
121.06495	13.0
121.10128	75.8
121.10972	3.9
123.08028	22.9
123.11722	9.0
125.06026	7.0
125.09609	12.9
128.06226	9.4
129.07014	17.8
130.07791	8.1
131.08545	44.9
132.09300	3.1
133.06523	5.7
133.10110	64.0
135.08025	25.3
135.11676	18.7
137.09599	18.7
139.11162	4.5
141.06995	8.2
142.07770	21.7
143.08568	43.2
144.09299	9.1
145.06516	3.5
145.10109	67.9
146.10490	6.3
147.08008	19.9
147.11670	24.6
148.12027	3.1
149.09567	21.7
149.13255	6.6
151.07553	11.7
151.11195	3.3
153.07018	3.6
153.09230	2.7
154.07724	3.2
155.08528	17.0
155.10681	5.5
156.09369	16.0
157.10106	59.2
158.10837	9.6
159.08009	16.4
159.11684	40.3
161.09602	16.0
161.13197	13.5
163.11162	14.6
165.07014	7.3
165.09108	35.2
165.12750	3.9
167.08569	11.1
167.10669	40.2
168.09315	10.3
168.10846	2.6
169.10159	28.7
170.10838	8.9
171.08063	3.8
171.11662	35.9
172.12096	3.3
173.09663	9.1
173.13272	25.7
175.11194	12.9
175.14757	13.9
177.12703	5.0
179.08580	8.4
180.09317	5.0
181.10110	16.1
181.12238	12.0
182.10884	9.2
183.11658	25.5
185.09503	4.8
185.13240	27.4
187.11211	6.4
187.14755	10.1
189.12759	10.8
191.14331	6.7
192.09250	3.3
193.10144	9.9
194.10870	6.4
195.11656	24.2
196.12375	9.2
197.09647	3.8
197.13240	23.7
198.13782	3.4
199.11156	6.5
199.14784	16.1
201.12697	7.0
201.16457	3.5
203.14348	13.6
206.10965	7.4
207.11658	14.2
207.13834	8.4
208.12466	7.1
208.14270	3.7
209.13232	22.8
209.15057	5.2
211.14787	9.2
213.12735	4.5
213.16302	6.6
215.14265	5.7
217.15886	6.5
219.11653	7.9
219.13669	3.3
220.12398	4.9
221.13225	12.6
221.15382	65.2
222.15727	4.3
223.11317	2.7
223.14764	10.6
225.12671	3.2
225.16438	7.8
227.14308	4.2
231.11531	4.9
232.12357	4.3
233.13313	7.1
233.15393	20.8
235.14793	11.5
237.14531	4.3
237.16580	5.7
239.14262	3.7
239.17842	4.5
242.28893	2.7
244.12399	4.7
245.13240	5.4
245.15480	3.3
246.14154	4.5
247.14790	8.5
248.15324	3.2
249.16428	8.9
251.18021	5.7
255.17523	4.2
257.18961	6.2
260.15637	3.7
261.16391	7.1
263.18018	5.1
265.19565	6.4
267.17297	5.3
269.19040	6.9
271.20511	3.3
273.18552	8.2
275.20111	10.8
277.19467	5.8
281.18961	6.5
282.19308	3.3
283.20599	5.8
286.19418	3.3
287.20230	5.6
291.19446	19.6
293.21042	4.6
295.20364	8.2
299.20071	6.2
301.21658	6.2
303.19583	3.9
304.19775	3.5
329.22864	4.2
341.30450	3.6
349.25208	6.0
352.23837	7.3
353.24359	13.3
365.24625	3.6
367.26428	4.4
379.25998	3.2
437.30396	3.3
491.34818	3.9
521.35815	8.6
565.40002	9.5
583.41351	15.7
601.42267	45.3
602.94635	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	601.4244
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	7.1
55.05505	31.1
57.06798	4.6
57.07071	75.8
58.07403	7.6
59.04994	16.5
65.03924	7.0
67.05499	38.9
69.03417	13.6
69.07058	25.1
69.45442	10.7
69.45858	32.7
71.04991	4.4
71.08630	30.5
72.08960	3.9
79.05486	45.9
80.05796	3.4
81.07042	48.7
83.04973	24.2
83.08598	18.5
85.10172	34.8
86.10493	5.3
87.04462	11.1
89.06021	49.1
90.06344	7.1
91.05470	69.9
93.07037	88.0
93.07586	6.7
94.55112	4.2
95.04968	25.0
95.08600	45.4
97.06519	14.4
97.10137	4.0
98.21459	9.5
98.49124	3.8
99.11697	5.3
103.05411	3.7
105.07024	100.0
107.04983	5.2
107.08589	90.7
109.06516	17.7
109.10155	30.9
111.08082	7.5
113.09679	5.1
115.05431	9.4
117.07001	21.8
119.08578	96.8
121.06516	12.1
121.10139	92.1
123.08082	20.1
123.11694	13.2
125.09615	17.1
128.06226	17.7
129.07034	19.7
130.07762	15.0
131.07054	3.7
131.08554	50.3
133.06447	5.0
133.08609	40.8
133.10109	72.1
134.08885	8.1
135.08075	19.1
135.11673	22.6
137.09619	10.0
137.13234	4.4
139.11197	11.3
141.07027	8.2
142.07759	22.8
143.08572	45.4
144.09285	9.4
145.10109	82.8
146.07204	3.6
146.10542	3.8
147.08086	13.5
147.11658	26.2
149.09608	22.8
149.13307	5.7
151.07596	10.7
153.06998	4.4
154.07756	4.9
155.08568	13.8
155.10686	8.6
156.09337	21.0
157.10115	58.6
158.10841	4.8
159.08043	18.5
159.11694	50.7
161.09605	17.8
161.13226	8.4
163.11188	9.6
165.06981	5.7
165.09096	15.2
167.08546	13.1
167.10675	62.0
168.09346	5.2
169.10143	33.8
170.10857	8.3
171.11664	36.6
172.07108	3.9
172.08723	4.6
173.13277	19.6
175.11177	13.0
175.14810	13.3
177.11226	20.3
178.11519	6.4
179.08537	14.4
180.09296	4.4
181.10150	18.2
181.12242	8.2
182.10858	10.7
183.11688	35.5
185.09618	7.3
185.13264	17.2
187.14766	6.4
191.14209	5.0
193.10117	11.5
194.10886	13.4
195.11653	21.9
196.12421	7.1
197.09535	4.6
197.13213	26.1
199.14832	14.3
201.16389	10.0
203.14340	9.2
206.10941	4.8
207.11684	16.4
208.12357	7.5
209.13295	25.7
210.14079	5.8
211.14795	13.3
213.12726	9.3
215.14297	6.0
218.10809	6.2
219.11801	5.3
220.12439	4.9
221.13289	14.2
221.15361	34.6
222.13873	4.2
223.14828	15.3
225.12766	5.5
225.16412	11.5
227.14359	9.0
231.17581	4.3
233.13194	9.6
233.15381	35.1
235.14827	5.5
237.16623	4.6
239.18034	4.1
241.16000	3.9
245.13164	7.4
247.14748	6.7
249.16396	7.4
251.17871	6.1
253.15712	4.0
263.17911	8.0
267.17392	5.9
269.19012	7.8
273.18634	4.6
277.19385	7.7
278.11200	3.7
283.20526	9.2
287.17569	5.5
287.20309	5.4
289.19302	4.5
295.20493	4.7
297.22086	5.5
299.20255	6.3
311.20370	4.7
315.65479	3.7
356.37653	3.7
365.14764	3.7
371.22977	5.5
372.22653	4.5
373.25104	5.2
386.10394	4.2
392.09274	3.7
491.34976	5.4
565.40210	5.3
583.41284	10.8
601.42273	20.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.4271
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02364	2.4
53.03947	7.0
55.01858	6.4
55.05512	28.7
57.03428	3.4
57.07083	16.6
59.04995	4.4
59.98666	2.3
60.95645	2.4
65.03953	4.0
67.05501	44.5
69.03419	18.7
69.07073	26.9
71.19255	5.0
71.19602	3.0
76.40701	2.5
77.03935	2.3
79.05489	44.1
81.03405	4.2
81.07050	73.9
82.07368	3.6
83.04974	20.6
83.08191	2.4
83.08620	16.1
85.02847	2.8
85.06538	10.0
87.04467	2.7
91.05475	70.1
93.07044	86.2
94.07368	4.6
95.04963	34.5
95.08607	55.1
96.08913	3.1
97.06518	12.6
97.10165	4.0
100.16970	2.4
102.90271	2.4
103.04327	2.4
103.05466	4.7
105.06334	5.3
105.07032	100.0
106.07298	2.7
107.04954	8.0
107.08587	71.2
108.08892	2.8
109.06525	39.1
109.10155	29.0
111.04380	3.0
111.08077	8.8
113.05992	4.3
113.09634	2.7
115.05459	8.3
116.06273	4.2
116.07067	3.8
117.07013	30.3
119.04980	2.4
119.06107	3.0
119.08581	90.2
120.08855	3.9
121.06522	13.6
121.10140	78.3
122.10467	3.7
123.08053	28.1
123.11688	7.1
125.05997	9.1
125.09644	15.0
128.06250	11.3
129.07004	24.1
130.07759	8.7
131.08571	42.8
131.37749	2.3
133.06474	7.2
133.10121	66.3
134.10435	3.0
135.08055	28.1
135.11678	17.5
137.09607	14.5
139.07549	3.5
139.11180	4.1
141.06953	6.0
142.07770	19.3
143.08565	52.5
144.09303	9.9
145.06482	4.6
145.10120	84.1
146.10471	3.7
147.08047	28.4
147.11694	26.7
149.09615	23.3
149.13214	4.0
151.07578	12.7
151.11168	4.4
154.07803	3.3
155.08580	21.8
155.10550	3.8
156.09354	20.3
157.10130	56.3
158.10759	9.7
159.08069	13.5
159.11700	44.2
160.08618	2.6
160.12021	2.9
161.09613	25.4
161.13261	9.1
162.09909	4.0
163.11166	20.7
165.06975	7.2
165.09111	41.5
166.07719	4.9
167.08600	11.5
167.10664	51.2
168.09378	5.4
168.10957	2.5
169.10132	29.5
170.10864	8.4
171.08148	3.9
171.11699	34.6
172.12296	5.3
173.09601	10.0
173.13254	21.1
175.11218	16.3
175.14841	11.5
177.12704	5.4
179.08549	8.0
179.14352	3.1
180.09312	5.5
180.62183	2.3
181.10120	17.8
181.12259	14.6
182.10844	9.8
183.11658	26.2
184.12566	2.5
185.09630	4.9
185.13274	25.1
187.11169	10.3
187.14810	7.7
189.12689	9.8
191.14316	7.8
192.09294	3.0
193.10156	11.1
193.12219	3.7
194.10971	3.8
195.11703	20.0
196.12389	7.5
197.09631	4.0
197.13261	21.3
198.13745	4.3
199.14742	12.4
201.16306	2.6
203.14316	20.7
205.10188	4.7
206.10951	5.0
207.11687	13.9
207.13799	7.7
208.12421	5.6
208.14470	3.2
209.13234	24.7
209.15268	5.6
210.13690	3.1
211.11287	5.2
211.14815	16.5
213.12738	7.0
213.16585	3.0
215.14308	5.9
217.09976	2.6
217.15831	7.7
219.11586	6.4
220.12376	5.1
221.13235	14.6
221.15382	74.4
222.15700	7.7
223.14825	10.7
224.15533	3.6
225.12810	4.3
225.16379	5.6
227.14401	4.1
229.15903	3.5
231.11829	3.4
231.17397	4.0
232.12357	4.6
233.13206	7.2
233.15387	20.0
234.15887	4.5
235.14729	7.8
237.16602	4.6
239.14378	3.0
247.14824	7.6
247.17020	4.2
249.12634	3.7
249.16397	8.5
251.17949	6.6
253.15776	3.4
255.17435	6.3
256.18024	3.1
257.19168	5.1
259.14719	2.9
259.20642	3.1
261.16364	7.3
262.16782	2.7
263.17822	3.4
265.19473	6.2
269.18976	6.4
273.18576	22.4
275.17444	3.5
275.20288	19.5
277.19431	2.8
281.19000	4.3
283.20547	6.3
286.19095	3.7
287.20114	11.9
289.19421	2.6
291.19507	34.0
293.21225	5.0
295.20367	4.2
297.22061	3.9
299.20105	3.3
300.20728	2.7
301.21671	6.8
304.19955	4.8
312.20822	3.1
313.21814	3.6
331.24173	3.9
341.30499	3.2
349.25421	7.7
352.23978	10.3
353.24271	11.3
361.25122	3.6
365.24515	5.2
366.25089	4.5
367.26245	6.8
379.26248	4.8
403.29556	3.8
491.34915	3.4
503.34964	3.5
509.35162	3.2
521.36078	11.6
565.39807	8.7
583.41022	17.2
601.42371	45.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.424
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	6.6
55.05510	23.3
57.05153	2.2
57.07067	9.3
59.04975	3.6
65.03931	4.3
66.16989	2.2
67.05499	31.8
68.53152	2.2
69.03409	12.7
69.07064	21.8
70.43833	4.8
70.44228	5.7
71.04982	4.7
79.05480	31.3
81.06596	4.0
81.07052	46.5
83.04981	16.6
83.08601	11.9
85.06533	6.2
87.04461	3.2
91.05475	60.8
93.07037	77.8
95.04961	26.6
95.08600	40.3
97.06498	13.2
103.05450	4.8
105.07025	100.0
107.08585	71.0
109.06496	11.7
109.09509	2.8
109.10173	29.8
111.08047	2.9
111.11658	3.4
113.09596	4.5
115.05421	7.3
116.06257	3.7
117.07004	20.6
119.08578	90.9
121.06491	8.2
121.10137	80.3
123.08059	11.5
123.11671	8.4
125.09656	15.6
126.08375	1.9
128.06218	15.7
129.06999	26.5
130.07768	9.2
131.08568	44.7
133.06459	3.7
133.10123	51.7
135.08057	15.6
135.11690	21.2
137.09613	6.9
139.11162	7.5
141.06984	10.5
142.07777	22.9
143.08565	38.5
144.09384	13.4
145.06435	2.3
145.10124	66.3
146.10464	2.8
147.08000	11.0
147.11707	19.1
149.09622	19.9
149.13269	4.0
151.07568	3.9
153.07030	3.9
154.07808	6.3
155.08556	21.8
155.10617	5.7
156.09361	15.5
157.10129	51.4
158.10869	7.9
159.08066	16.1
159.11679	35.4
160.08745	2.3
161.09596	11.9
161.13226	5.5
163.11200	8.8
165.07005	7.8
165.09109	6.5
166.07719	3.1
167.08542	6.2
167.10678	54.1
168.09346	6.2
169.10130	30.0
170.10841	6.8
171.08183	3.3
171.11693	31.2
172.08751	2.4
172.12241	3.4
173.09645	6.4
173.13255	22.7
174.77405	2.2
175.11153	11.1
175.14828	13.7
177.12711	2.6
178.07848	3.0
179.08597	11.6
180.09242	7.1
180.85284	2.2
181.10130	15.2
181.12222	6.2
182.10875	8.8
183.11653	21.6
184.12375	5.0
185.09581	7.0
185.13255	20.3
187.11205	3.6
187.14796	10.0
189.12723	8.7
191.14268	5.9
192.09383	2.2
193.10168	10.3
194.10873	7.8
195.11696	21.5
196.12428	9.0
197.13245	23.2
198.13800	2.4
199.11147	5.0
199.14771	14.4
201.12714	6.9
201.16399	5.7
203.14320	5.8
205.10100	4.5
205.15741	4.2
206.10881	7.0
207.11810	12.8
207.13548	4.0
208.12469	5.0
209.13235	18.2
209.15132	3.1
210.13876	2.6
211.14740	16.2
213.12804	4.6
213.16354	3.3
215.14323	5.7
217.10091	4.4
217.15846	4.1
219.11693	5.2
220.12425	5.2
221.13235	11.8
221.15411	13.9
222.13835	3.6
223.14871	12.5
225.16345	6.5
227.14336	3.3
231.11641	3.5
231.17461	2.5
233.13214	6.2
233.15369	27.2
235.14775	8.7
235.16913	2.9
236.15405	2.7
237.12726	2.7
237.16408	5.5
238.17027	2.4
239.14334	3.1
239.17912	3.5
241.16069	4.9
247.14719	5.2
249.16370	5.4
251.17950	6.1
257.13300	3.4
259.14825	5.3
260.15552	2.8
261.16309	6.0
263.17957	7.1
265.19473	5.5
267.17490	2.7
269.18976	7.4
270.07986	2.5
273.16260	5.9
275.17853	3.3
277.19418	4.3
281.19012	3.6
283.20670	3.0
285.18478	3.2
287.20148	3.3
295.20288	3.3
299.20221	2.4
301.21902	3.1
311.20200	3.1
327.05811	2.1
329.22992	2.3
349.24887	2.6
509.33737	2.4
526.79865	2.8
565.40381	2.8
583.41547	5.9
601.42358	9.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.4236
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76958	8.9
55.05497	20.2
63.10553	9.8
67.05517	46.9
69.07048	19.9
69.75557	26.7
69.75992	47.4
70.99780	9.3
79.05471	26.5
79.74635	9.6
81.07037	41.5
83.08598	13.5
88.60493	10.4
91.05454	21.6
93.07014	41.3
95.08582	49.8
105.07002	48.6
107.08562	28.7
119.08541	42.1
121.10078	28.5
123.08115	11.7
131.08566	16.9
133.10106	36.9
135.08041	20.7
137.05946	9.7
137.09558	18.9
145.10068	28.6
147.07954	14.1
157.10132	20.5
159.11642	14.3
163.11139	14.9
165.09058	49.1
175.14774	12.1
181.12320	10.5
185.13182	17.0
189.12784	12.5
207.13618	9.9
221.15311	100.0
280.67487	11.5
300.20502	10.8
466.34140	13.1
521.35437	13.7
601.42145	43.7
601.50836	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	601.4237
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27124	0.9
53.03934	3.8
55.05501	6.3
57.07072	9.9
57.07523	1.0
57.53852	1.1
59.04996	2.8
65.03933	1.3
67.05499	11.4
69.03422	7.3
69.07054	6.6
69.59552	7.9
79.05490	12.4
81.07047	16.8
83.04975	3.1
83.08620	2.3
85.06532	3.3
89.06022	1.0
90.37299	1.0
90.96707	1.0
91.05476	20.5
93.07037	34.3
95.04956	7.0
95.08598	19.8
97.06534	4.1
100.38200	0.9
103.05469	2.3
105.07022	35.4
106.07310	1.5
107.08591	21.1
109.06524	10.0
109.10141	9.7
111.08058	2.3
113.85323	1.0
115.05447	1.9
117.07023	8.1
119.08570	40.9
120.08916	1.8
121.06505	5.2
121.10137	21.6
121.10979	1.5
123.08054	15.9
123.11694	1.9
125.05981	3.6
128.06232	4.7
129.06998	8.0
130.07790	2.2
131.08543	18.1
133.06487	3.0
133.10120	21.5
133.69914	1.0
135.08049	9.8
135.11674	7.2
137.09589	13.9
141.07016	1.9
142.07800	7.0
143.08551	15.5
144.09328	4.3
145.10121	26.0
146.10532	1.1
147.08041	22.6
147.11684	5.9
149.09604	3.3
151.07542	12.8
153.09111	1.4
155.08553	6.3
156.09355	5.3
157.10107	20.7
158.10751	1.6
159.08063	1.6
159.11682	16.4
160.08794	1.4
160.12172	1.3
161.09657	5.4
161.13219	6.3
163.11142	9.0
165.07033	2.1
165.09103	49.2
166.07753	1.6
166.09438	3.1
167.08589	2.9
168.09337	2.9
169.10165	9.0
170.10922	3.2
171.11694	10.5
172.12244	1.0
173.09618	2.8
173.13301	5.8
174.10493	1.3
175.11153	3.4
175.14809	4.8
176.11620	1.4
177.09065	1.4
177.12701	1.8
179.08598	2.5
179.10667	1.5
180.09384	1.4
181.10179	5.2
181.12206	8.8
182.10928	1.7
182.12566	1.5
183.11700	9.2
184.12367	2.4
185.09572	1.4
185.13206	7.2
186.10339	1.4
187.11185	1.4
187.14763	7.1
189.12776	4.8
190.13426	1.3
191.14311	1.5
193.10149	3.3
193.12199	3.0
194.10881	2.4
195.11661	6.5
195.13533	1.3
197.13231	7.6
198.13786	1.0
199.14830	2.7
201.12868	2.1
201.16302	1.1
203.14305	17.8
204.14641	1.7
206.10840	1.3
207.11708	4.9
207.13858	5.2
208.12372	2.1
208.14316	1.6
209.13286	6.1
209.15231	2.4
210.13948	1.5
211.14857	4.5
213.12720	2.2
213.16393	3.4
219.11490	1.2
221.13370	4.1
221.15347	100.0
222.15741	7.3
223.10999	1.1
223.14833	3.2
224.12157	1.1
225.12801	1.9
225.16324	2.0
227.14249	2.4
233.13306	2.3
233.15425	1.4
234.16055	2.2
235.14828	4.7
235.16975	1.2
237.12708	1.1
237.16374	2.3
239.14195	1.2
239.18053	2.3
247.14754	1.8
247.16949	4.9
248.17395	1.5
249.16382	1.1
251.18048	2.2
259.14658	1.0
263.18069	1.4
265.15964	1.1
265.19559	1.8
274.19217	2.0
283.20682	1.8
284.32605	1.1
285.18625	2.5
286.19226	2.4
287.20102	7.2
297.22134	1.4
299.20004	3.9
300.20746	4.0
301.21689	4.8
312.21188	1.4
313.21515	1.8
325.21762	1.6
326.22122	1.9
340.24075	1.5
341.24457	1.4
349.25140	1.2
352.23944	3.2
353.24493	2.4
354.91318	1.0
365.24692	1.6
367.26282	7.6
375.26788	1.9
393.27856	4.5
399.28531	1.6
421.31085	1.2
428.28897	1.5
440.28928	2.3
441.29373	5.5
491.35214	8.9
508.34802	1.0
509.36044	5.4
521.36145	5.7
545.61340	1.1
565.40375	1.6
583.41528	13.2
601.42358	35.8
621.94788	1.2
625.18683	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.4233
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	5.6
56.01837	2.5
57.07056	8.9
59.04968	2.6
67.05499	20.0
69.03419	8.8
69.07041	7.7
70.35112	6.5
70.35530	4.7
79.05482	13.7
81.07046	23.6
83.04945	5.3
83.08622	4.7
85.06541	3.3
91.05473	25.4
93.07031	44.8
95.04951	8.3
95.08607	20.8
96.08898	2.7
97.06521	3.5
98.21354	2.9
105.07018	33.5
107.08591	26.5
108.72103	2.8
109.06490	11.1
109.10124	10.2
117.07009	9.4
119.08573	43.0
120.08863	3.5
121.06506	7.4
121.10130	21.6
122.10461	2.6
123.08047	15.5
123.11727	4.0
125.05948	5.7
128.06224	5.9
129.06976	7.2
130.07626	2.6
131.08565	19.3
133.10110	23.1
134.10469	3.5
135.07983	14.5
135.11693	7.5
137.09618	14.2
142.07739	7.3
143.08572	18.9
144.09335	3.5
145.10110	32.7
147.08023	24.4
147.11661	7.3
149.09615	7.9
151.07545	17.6
155.08574	6.6
155.56456	2.4
156.09325	7.2
157.10115	20.3
158.10648	3.5
159.08072	3.1
159.11697	11.9
161.09572	6.1
161.13203	5.3
163.11182	11.5
165.09106	52.2
166.09389	3.3
167.08487	3.8
168.09288	2.8
169.10100	9.4
171.11638	11.7
173.13269	7.1
175.11148	3.7
175.14864	4.9
176.11534	2.5
179.08601	3.3
181.10210	3.3
181.12216	8.8
183.11674	9.7
185.13226	9.5
186.13582	2.7
187.11150	3.8
187.14851	6.1
189.12711	4.4
190.13615	2.9
193.10149	3.4
193.12196	5.4
195.11624	7.0
195.13618	2.7
196.12257	5.3
197.13269	6.8
201.12805	3.1
203.14308	17.0
207.11752	4.1
207.13763	8.7
208.14465	2.6
209.13258	6.5
209.15210	3.8
211.14836	4.3
220.32330	2.3
221.13316	4.2
221.15327	100.0
222.15701	8.1
222.24657	2.4
223.14740	3.5
223.29228	2.3
225.12598	2.9
225.16483	3.8
228.22330	2.3
233.13333	3.5
234.16124	4.6
237.12654	3.2
237.16515	3.5
247.16895	6.8
248.17361	3.1
250.12190	2.6
274.19284	3.2
275.19705	2.7
287.20123	5.3
299.19977	3.5
300.20697	4.7
301.21790	3.9
341.24094	4.4
352.23959	5.2
367.26239	5.0
385.20999	2.8
440.29272	5.3
441.29501	8.4
491.35089	8.7
509.35696	4.0
521.35632	7.4
583.41315	10.5
601.42358	27.5
601.51428	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	601.4081
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	6.3
55.01845	8.2
55.05506	32.3
56.60480	3.0
57.03429	16.4
57.07080	13.9
59.04974	2.9
65.03924	4.9
67.05149	2.7
67.05498	48.7
69.03411	5.4
69.07044	15.8
71.04981	7.1
71.08604	7.3
71.73434	5.0
71.93793	2.6
79.05487	45.1
81.03417	7.4
81.06612	4.6
81.07050	60.9
83.04977	11.8
83.08604	20.8
85.06525	17.3
85.10168	6.0
89.06004	6.7
91.05470	43.5
93.07033	49.9
95.04399	4.6
95.04960	61.0
95.08597	30.1
97.06539	14.7
97.10139	10.8
98.98463	6.6
103.05440	3.3
105.07018	57.7
107.04945	14.4
107.08585	33.0
108.08882	3.1
109.06500	49.4
109.10125	12.6
111.04400	5.1
111.08047	9.9
113.05998	32.3
117.06979	13.9
119.08574	37.9
121.06489	12.5
121.10127	22.0
123.08031	12.5
123.11719	5.3
125.09596	7.0
128.06148	4.1
129.06982	10.5
130.07767	3.2
131.08557	28.4
133.06465	4.5
133.10127	26.2
135.08032	33.8
135.11681	12.5
137.09599	7.4
143.08568	14.6
144.09315	5.1
145.06487	3.9
145.10115	30.3
147.08003	11.3
147.11647	13.2
149.09613	21.7
149.13193	3.1
151.07520	7.2
151.11148	3.6
155.08563	4.2
156.09395	4.3
157.10078	19.2
159.08012	4.5
159.11676	14.7
161.09575	8.9
161.13228	6.8
163.11156	25.2
165.09088	6.5
167.10667	7.1
168.09320	3.5
169.10080	9.4
170.10461	2.9
171.10335	2.7
171.11678	11.2
173.09685	3.3
173.13210	7.5
175.11099	5.3
175.14742	3.4
177.12778	4.8
181.10086	4.5
181.12189	5.7
183.11699	5.9
185.13179	7.1
186.13596	3.2
187.11150	4.5
187.14725	2.6
189.11209	7.7
191.10641	3.8
193.12228	8.3
195.11682	7.2
199.14854	6.4
201.12668	3.8
203.14157	4.1
205.12364	4.6
207.13670	3.3
208.12311	3.0
209.13167	3.7
211.14737	4.3
217.15796	11.5
221.15343	13.1
223.13164	18.8
233.15591	4.6
239.17896	3.0
245.19113	2.7
247.47850	2.8
255.17450	5.9
257.18896	8.1
273.18481	29.3
275.20096	30.6
277.21436	3.6
289.18204	3.9
291.19495	100.0
293.20987	15.5
309.24130	3.2
309.81900	2.9
323.45966	3.2
341.30573	15.0
353.24191	4.8
398.53897	3.5
521.36066	3.2
601.42944	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	601.3185
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95210	0.4
53.03931	0.7
54.49900	0.4
55.05505	6.1
56.05032	0.8
56.64916	0.4
57.05795	0.5
61.49186	0.4
69.03417	0.5
70.06583	6.6
71.75828	0.7
72.08148	100.0
81.11714	0.4
84.04494	4.4
84.08150	2.3
85.02893	1.7
86.06064	3.8
86.09705	2.4
90.05545	3.5
102.05536	3.7
110.07179	0.6
114.05511	5.1
114.06206	0.4
120.08092	0.6
127.03951	0.4
129.05586	0.5
129.10268	0.8
131.05063	0.4
138.09164	0.6
143.11771	8.9
156.10240	0.9
157.09709	0.9
167.08202	0.6
171.11230	4.4
183.11272	3.9
185.09196	21.7
189.12276	2.0
197.75124	0.5
201.12328	5.0
211.10735	2.4
218.69177	0.4
229.11821	9.7
235.23839	0.5
256.16547	13.6
256.19168	0.7
261.57977	0.4
284.16037	32.8
300.15546	6.7
318.16605	1.1
328.18793	1.2
343.11969	0.5
399.22687	0.7
413.20279	27.6
417.23553	0.5
457.37421	0.5
512.26880	0.8
554.51874	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.2652
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	0.4
55.05518	0.2
56.75067	0.2
57.03422	0.2
59.71820	0.2
67.05484	0.5
69.03416	0.3
69.07042	0.4
70.06580	0.9
71.05627	0.4
72.07691	0.1
79.05463	0.5
81.03398	0.3
81.07030	0.7
84.04479	0.2
84.08117	0.3
85.02879	0.5
91.05469	0.5
93.07022	0.6
94.06600	0.2
95.04948	0.3
95.07308	0.2
95.08600	0.5
97.10134	0.2
105.07018	0.3
107.04926	0.2
107.08562	0.4
109.10143	0.5
112.21517	0.1
116.07069	0.6
119.08540	0.2
120.08085	0.6
121.06434	0.2
121.10082	0.3
122.06026	0.3
123.08048	0.2
125.06004	0.2
125.09589	0.3
127.03837	0.2
131.08653	0.2
133.10127	0.3
135.08069	0.2
135.11653	0.2
137.05920	0.2
137.09567	0.4
145.10104	0.2
147.11658	0.2
148.07550	0.2
148.44835	0.2
151.98082	0.2
157.10034	0.2
159.11685	0.2
161.09596	0.2
164.31090	0.2
165.09067	0.4
167.06912	0.2
169.07552	0.2
169.08844	0.4
174.07877	0.2
174.09125	4.8
181.07443	0.2
182.08269	0.2
182.09673	0.4
185.06749	0.3
185.08351	3.2
193.07436	0.2
194.08394	0.2
195.09201	0.9
196.09924	1.6
197.08325	0.3
197.10657	0.4
198.09126	1.0
198.11510	0.4
199.08609	0.2
200.10703	0.5
208.09856	0.2
209.10690	2.0
210.07877	0.5
210.11479	0.9
211.08626	0.3
211.12221	0.8
212.10847	2.3
212.12794	0.4
213.10165	0.7
214.10982	1.8
223.08699	1.2
223.12221	1.3
224.09306	0.9
224.13091	0.6
225.10042	3.1
226.10889	0.8
226.43132	0.2
227.11778	0.7
228.08890	0.2
235.12332	0.5
236.09392	0.8
237.10185	5.4
238.10948	1.2
239.11774	5.0
240.12573	2.1
241.09662	1.6
241.13367	1.5
242.10458	5.2
250.11284	0.2
251.11792	3.6
252.12553	4.5
252.71115	0.2
253.09634	0.2
253.10524	0.3
253.13322	3.5
254.07657	0.2
254.10460	0.5
255.11243	0.8
256.11932	0.3
257.12460	0.2
264.08905	0.3
265.09698	0.3
266.10446	0.9
267.11319	2.3
268.08356	0.2
268.12018	0.5
269.12698	0.5
270.13565	0.9
271.10721	0.2
279.11136	1.0
280.12036	24.6
281.12750	1.5
283.10669	0.9
285.12283	2.4
295.06097	0.3
297.12387	1.7
299.13943	0.8
301.11935	0.4
307.10791	0.3
310.09476	1.8
313.07126	0.3
325.11780	100.0
326.12140	1.1
343.09363	0.2
343.12991	1.4
502.09943	0.2
557.25031	0.4
583.25946	0.5
601.26630	2.7
601.37708	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.2532
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15963	0.4
55.01867	0.8
55.05521	0.9
65.54156	0.5
67.05480	1.5
68.05044	0.5
69.03413	0.9
69.07085	0.6
70.06574	1.8
71.74733	0.8
72.08135	0.7
74.00655	1.1
76.03989	1.8
79.05473	1.7
80.05015	1.2
81.03378	0.9
81.07054	4.1
83.06100	0.9
84.04494	4.4
84.08109	0.8
85.02882	1.2
85.04026	3.2
86.06062	2.5
86.09685	1.1
87.04456	14.7
91.05457	1.2
92.01692	1.2
93.07046	0.9
94.06528	0.5
95.04961	0.9
95.08594	3.3
96.47878	0.5
97.01097	1.3
98.06056	0.7
99.03844	0.4
99.05550	1.3
101.04233	0.7
105.07001	0.8
106.06583	1.1
107.04963	0.5
107.08583	0.7
109.10113	0.5
112.02177	15.7
112.03912	0.7
113.03473	0.8
117.07009	0.5
119.07312	0.9
119.08589	0.6
120.08103	1.1
121.06480	0.5
123.08015	1.8
124.02152	0.9
126.03721	0.9
129.06758	0.4
130.04982	4.4
131.04520	1.4
131.08585	0.5
133.10201	0.6
135.02617	1.1
135.08022	0.6
136.02156	0.7
136.07533	1.0
137.04158	0.5
137.05936	0.5
138.03706	1.9
142.11601	0.4
143.08478	0.6
145.06064	1.4
147.02553	0.6
148.07555	2.8
149.03842	0.6
151.05742	1.4
152.01691	0.6
152.05280	8.1
153.06628	0.8
159.02237	0.7
160.00627	0.5
160.11235	0.5
161.09592	0.7
162.09140	0.8
164.01599	0.9
166.07362	0.5
166.08626	3.4
168.04782	5.3
169.06741	0.8
177.03294	6.9
177.07310	1.0
178.06862	0.5
180.04759	16.2
181.06078	0.9
184.04204	0.6
185.03769	4.3
186.05768	0.7
187.05693	0.7
192.04767	1.3
192.10175	1.0
194.06331	1.4
194.09973	0.6
198.05817	40.9
204.04761	0.9
205.06865	1.2
206.06322	2.6
206.11723	2.4
210.05833	0.6
220.04341	0.9
220.07898	1.4
222.05856	0.5
223.07887	0.8
224.07378	2.0
228.13855	0.6
231.04312	11.0
232.04233	1.5
233.05257	0.6
234.09435	1.3
238.12160	1.3
239.13026	1.6
240.10547	1.1
242.05779	0.5
246.09496	2.4
246.14905	4.9
248.11047	1.4
256.13385	0.6
260.16513	0.6
262.12576	4.2
264.10486	0.9
266.12012	1.3
272.11087	5.2
274.14365	0.4
276.10553	1.0
280.13632	3.9
288.06522	2.1
288.14096	0.6
290.12021	7.3
292.13248	0.7
294.16992	8.1
296.18503	2.1
298.14627	0.9
306.07388	0.8
308.13116	9.4
316.13599	1.2
324.42776	0.5
325.64954	0.4
326.14169	100.0
327.14392	1.5
328.15866	1.5
334.14981	2.1
344.13040	2.6
351.17316	2.9
352.15726	17.6
352.20029	0.9
362.14194	7.8
369.18399	1.8
379.16833	5.0
380.15186	8.7
397.17996	5.8
401.20801	0.7
417.18259	0.8
435.19583	1.7
454.19769	0.5
463.19153	0.5
472.21094	16.6
508.21033	1.4
526.22046	0.8
557.25061	0.6
583.24335	0.8
601.26569	4.2
601.39124	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.0015
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03711	1.1
53.03942	14.2
56.96560	44.4
58.35579	0.7
71.74368	1.1
71.95246	0.8
74.97595	1.9
81.02939	1.0
81.03413	23.4
84.96028	27.3
85.30813	0.8
93.36190	0.7
94.85454	0.7
98.97572	11.7
100.99123	3.0
102.97054	4.5
115.00700	4.6
116.98611	12.5
119.00163	2.1
120.98083	0.9
124.99100	15.8
126.97041	1.6
132.95848	0.8
133.01718	4.4
134.99640	9.7
136.99133	1.8
140.98593	1.9
143.00145	54.0
144.98045	7.1
145.03497	0.8
153.00673	1.3
154.93204	0.7
155.00128	10.1
158.99628	7.2
161.01208	83.0
162.99130	10.7
163.02808	0.7
166.01758	1.7
168.98074	2.6
172.94238	3.9
173.01215	23.4
177.00711	13.7
179.02255	12.8
181.00244	4.1
181.01563	0.7
184.02870	3.4
186.99113	14.7
190.95308	3.2
191.02237	7.0
195.01773	2.4
197.01219	1.0
200.04662	0.9
202.98619	1.0
205.00175	30.5
210.00826	1.2
213.04323	1.2
215.02269	2.4
223.01190	27.7
224.28366	0.7
229.03938	1.0
230.98204	2.8
241.03816	2.7
243.01634	1.4
246.02759	0.9
248.99156	21.0
252.97034	1.0
255.01643	0.9
256.96341	1.1
257.03165	0.8
267.00146	26.1
272.00739	1.6
273.02774	1.7
276.99982	0.8
285.01447	1.5
286.93903	1.1
299.00745	1.1
300.95358	1.3
311.00702	2.1
317.01865	4.1
318.99805	1.2
328.94922	11.4
329.01715	16.6
335.02905	1.0
337.00696	2.1
346.95908	27.1
347.02603	8.1
352.03333	0.7
361.00943	3.6
364.97107	1.0
369.97525	3.0
370.04605	1.4
382.03583	1.1
386.98651	1.3
404.99786	17.3
408.97443	100.0
409.97754	1.2
423.00757	18.6
426.98511	10.9
450.00342	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	600.4675
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	3.8
57.07071	100.0
59.04995	14.3
65.43379	1.1
67.05502	3.9
69.03418	2.2
69.07062	3.8
70.47578	3.1
70.47959	3.3
71.08628	61.9
73.06551	4.0
76.44833	1.1
79.05485	3.0
81.07063	4.7
83.04969	1.8
83.08601	4.1
85.10175	54.3
87.04453	7.7
89.06026	87.9
91.05460	7.7
93.07035	8.7
95.04971	2.8
95.08595	4.1
97.06525	2.1
99.11733	9.3
103.07572	7.3
105.07016	9.0
106.07343	1.4
107.07105	2.4
107.08602	9.4
109.06489	1.6
109.10143	3.0
116.07056	1.4
117.07030	1.7
117.09164	2.6
119.08586	8.0
121.10135	6.9
123.08089	3.1
129.06995	1.7
130.08600	2.0
131.07028	3.8
131.08574	4.2
133.08597	70.7
133.10143	3.8
135.08119	1.6
135.11691	2.6
137.09602	1.3
142.07764	2.6
143.08546	5.6
145.10193	7.0
147.08044	1.9
147.11685	1.8
149.09621	3.9
155.17969	5.5
156.09373	2.5
157.10019	6.7
159.11688	4.5
161.09659	2.4
167.08569	1.8
167.10683	4.5
168.11012	1.7
169.10126	3.8
171.11670	3.7
173.13286	2.2
175.09680	3.0
175.11217	1.4
177.11211	27.8
179.08534	1.3
180.09442	1.3
181.10088	2.5
181.12184	1.8
182.40735	1.2
183.11737	3.8
185.13293	1.8
193.10202	1.7
195.11716	2.7
196.12373	1.8
197.13257	2.7
208.12407	1.3
209.13243	1.9
211.14882	2.4
213.22183	5.1
221.13712	6.1
221.15605	2.0
233.15349	3.1
234.15927	1.6
237.16400	2.1
249.16420	1.7
255.17538	1.7
257.24731	5.4
283.17493	3.7
327.20154	3.9
371.22772	17.1
474.53000	1.3
491.89795	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.4679
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	7.2
56.07152	1.1
57.03431	1.5
57.07072	100.0
59.04999	30.4
67.05508	4.5
69.03428	2.3
69.07072	5.7
69.38389	1.9
69.38798	9.1
70.07368	0.9
71.04987	1.0
71.08627	96.3
79.05509	4.4
81.07037	4.3
82.07407	0.9
83.04966	1.6
83.08602	7.3
84.08948	0.9
85.10177	92.3
87.04477	6.8
89.06027	61.9
91.05471	4.9
93.07023	6.8
94.07360	1.5
95.04966	4.3
95.08599	3.9
96.08903	1.2
97.06542	5.8
97.10163	1.3
99.11726	12.6
101.09653	3.3
103.07547	1.3
105.07033	8.9
106.07374	1.3
107.07031	2.1
107.08607	6.9
109.06549	1.1
109.10155	3.7
113.09637	1.8
114.10048	0.9
117.09122	4.0
119.08570	6.1
120.08918	1.4
121.06470	1.3
121.10146	7.6
123.08049	1.8
125.09610	2.2
129.09027	0.9
130.08658	1.4
131.07007	2.7
131.08585	2.6
133.08598	52.5
133.10156	2.4
134.10449	1.6
135.08102	0.9
139.11176	2.3
141.07002	1.0
141.16371	10.8
141.61975	0.9
142.07709	2.8
143.08507	3.3
145.06429	0.9
145.10120	4.7
146.10435	1.6
147.08099	1.1
149.09586	1.7
155.08539	1.5
155.10600	1.5
156.09135	1.0
157.10088	3.8
158.10539	1.9
159.11691	2.3
161.09634	1.5
163.11134	1.7
167.10661	4.2
168.11070	1.2
169.10109	2.6
170.10538	1.0
171.11662	2.7
173.13278	1.5
175.09669	2.3
177.11198	17.6
177.12599	1.6
179.08504	1.1
181.09950	0.9
181.12247	3.2
183.11650	2.0
184.12021	1.1
185.13248	1.4
195.11476	2.7
196.12105	1.5
197.13211	1.8
199.20561	24.3
207.11678	1.0
209.13155	3.1
210.13528	1.3
217.15863	1.1
219.11978	1.1
221.13551	4.3
233.13162	1.1
233.15396	1.7
234.15659	1.5
236.15109	1.0
239.14879	1.4
240.23288	1.5
257.24722	10.5
265.25400	1.8
277.37027	0.9
283.17606	2.2
313.21548	1.1
327.20132	17.5
337.19354	1.0
339.29028	1.5
367.23367	1.8
385.24295	2.1
415.25363	1.1
432.29858	1.1
582.39868	2.8
600.40240	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	600.4165
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38643	4.0
53.03939	4.7
55.05507	21.4
57.07060	13.8
59.05011	6.2
65.03924	6.1
67.05505	43.8
69.03416	12.6
69.07056	15.6
69.48629	3.8
69.48938	41.8
70.06585	7.0
73.03329	3.7
79.05502	26.0
81.07045	46.0
82.07378	8.1
83.04965	19.4
83.08611	14.4
85.06547	6.0
88.98788	3.7
89.06017	10.6
91.05460	54.9
93.07039	75.5
95.04953	28.7
95.08598	45.1
96.08916	3.7
97.06519	8.5
98.21495	9.5
105.07011	94.4
105.69310	4.0
107.04985	6.0
107.08582	54.9
109.06510	21.5
109.10139	21.8
111.08008	6.6
115.05449	9.8
116.07103	7.6
117.06992	19.7
119.04930	6.8
119.08577	72.8
121.05717	4.6
121.06501	15.3
121.10126	51.9
122.10506	4.4
123.08067	31.0
123.11693	8.5
125.05984	5.9
125.09634	8.1
127.00882	4.5
128.06227	13.2
129.07007	25.3
130.07732	10.5
131.08554	47.0
132.09306	4.7
133.06509	13.9
133.08578	7.7
133.10110	45.8
135.08072	26.3
135.11710	11.1
137.05992	6.1
137.09608	16.0
141.06978	9.1
142.07784	35.8
143.08543	52.6
144.09305	13.4
145.10112	59.0
147.08041	43.9
147.11642	18.8
149.09621	21.4
151.07542	20.9
155.08501	22.6
156.09309	17.3
157.10118	83.4
158.10847	9.3
159.08028	18.6
159.11682	38.9
161.09624	21.8
161.13251	9.7
163.11220	23.3
165.06970	6.4
165.09106	50.1
167.08562	10.4
167.10652	11.7
168.09294	7.0
169.10078	27.6
170.10867	12.3
171.08157	4.9
171.11667	35.2
172.12416	6.0
173.09583	16.7
173.13295	21.4
175.11174	30.7
175.14868	4.6
177.09131	4.8
177.12694	5.7
179.08484	9.1
180.09325	6.9
181.10141	17.0
181.12230	12.0
182.10835	9.3
183.11674	27.3
185.09648	6.3
185.13255	24.9
187.11324	7.1
189.12759	10.9
190.13510	12.5
191.14230	7.7
192.09308	5.5
193.10115	12.3
193.12204	10.1
194.10916	8.8
195.11632	24.8
196.12314	5.9
197.09587	6.0
197.13242	22.0
199.11252	10.8
199.14886	6.6
201.12663	5.7
203.14275	24.6
206.10959	7.3
207.11674	18.4
207.13771	14.8
208.12555	8.5
208.14452	8.7
209.13364	20.8
209.15106	5.0
211.11201	9.9
211.14891	10.4
213.12689	9.8
215.14320	5.2
218.16640	5.5
219.11717	7.0
219.13818	8.3
221.13249	13.1
221.15300	100.0
223.14987	8.9
225.12758	11.5
225.16394	4.9
227.14313	5.7
231.11549	5.1
233.13303	7.6
233.15405	28.0
234.13898	5.5
234.16035	16.7
235.14798	14.9
237.12685	8.0
237.14851	30.0
238.17667	4.3
239.14430	6.3
241.15852	5.3
245.13145	5.2
247.14732	7.2
247.16896	8.9
248.14041	14.6
249.16455	6.1
253.15839	6.2
255.17427	21.0
261.16458	8.5
265.15817	4.2
267.17416	5.1
269.19031	6.7
270.19809	7.9
271.16919	12.6
274.19348	17.0
279.17642	5.8
281.19174	7.7
285.18542	10.0
286.19238	10.7
287.20197	8.2
294.19913	6.6
299.20123	17.2
303.19513	51.5
311.19916	6.1
312.20728	7.7
313.21631	13.3
319.20380	5.3
323.20010	4.7
325.21649	16.7
337.21579	13.2
347.23999	4.9
352.23904	99.4
356.73950	4.2
365.24759	22.3
377.24399	6.5
383.25943	5.5
502.34781	10.0
503.35507	6.5
507.34619	11.9
508.34961	7.7
520.35510	47.8
567.30469	4.7
583.41241	4.9
600.41083	25.3
600.50562	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	600.4168
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	35.5
56.10196	10.9
57.28809	11.6
67.05498	88.8
69.03414	16.2
69.07057	33.3
71.75771	12.7
71.76312	21.3
79.05485	48.9
81.07053	99.4
83.04962	39.1
83.08597	14.6
87.04456	18.6
87.42188	15.4
91.01447	10.9
91.05450	68.7
93.07037	70.0
95.08608	65.6
105.07030	95.4
107.08565	64.1
109.06529	12.8
109.10152	27.1
117.07029	19.2
119.08569	100.0
121.06460	13.4
121.10141	57.5
123.08048	33.3
125.09605	14.8
131.08554	38.0
133.06468	20.3
133.08594	22.4
133.10101	44.4
137.09644	14.5
142.07756	26.2
143.08563	46.4
144.09294	15.8
145.10109	52.1
147.07985	23.3
147.11713	25.0
151.07562	13.0
155.08537	28.5
155.91766	13.5
156.09317	22.4
157.10115	78.4
157.11214	13.7
159.08003	24.3
159.11696	33.5
165.09116	26.8
169.10121	31.2
171.11707	46.0
173.13225	25.7
181.10129	27.4
181.12173	20.0
183.11606	17.3
185.13185	25.3
187.11340	15.3
193.10089	17.4
195.11684	28.3
197.13333	18.0
199.14804	19.7
203.14330	16.5
207.11734	18.2
209.13202	33.3
211.14734	18.8
221.13371	22.0
221.15288	60.8
233.15340	13.9
246.77000	14.4
255.17418	26.1
270.19537	12.8
303.19519	25.6
352.24295	20.3
365.24478	13.6
419.46265	12.7
520.35272	22.6
600.41315	28.4
600.50574	38.9
613.92560	16.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.4165
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30315	4.8
52.71802	4.6
55.05512	8.5
57.07062	19.4
59.05004	6.0
67.05493	17.1
69.03434	9.0
69.07070	13.6
70.72514	4.3
71.08628	4.6
71.51331	9.1
73.39233	4.5
77.66955	5.3
79.05485	16.5
79.13758	5.3
81.07043	27.5
83.04985	8.1
83.08610	8.2
85.06555	10.4
89.06009	10.6
91.05476	26.8
93.07033	40.6
95.04967	13.2
95.08595	21.3
105.07020	52.2
107.08589	37.3
109.06514	18.9
109.10162	15.4
117.07014	18.7
119.08579	61.5
121.06505	7.1
121.10133	29.9
121.34168	4.5
123.08038	21.5
125.05967	11.3
128.06209	6.7
129.06953	8.7
129.63396	5.4
131.08565	28.4
133.08620	5.8
133.10106	29.0
135.08022	18.4
135.11722	8.8
137.09586	10.5
139.07463	7.0
143.08575	22.1
144.09375	12.4
145.10110	44.2
147.08034	35.0
147.11609	9.4
149.09682	12.4
151.07516	13.6
155.08542	7.8
156.09361	8.6
157.10109	36.4
159.08080	13.1
159.11694	32.6
161.09659	11.2
161.13242	10.9
163.11180	22.3
165.09096	57.2
167.08537	5.7
168.09219	4.9
169.10117	18.7
171.11682	22.2
173.09619	11.5
173.13266	13.2
175.11186	20.9
177.09074	6.7
180.11436	7.9
181.10086	12.3
181.12201	28.7
182.10866	6.8
183.11679	15.2
184.12294	4.6
185.13232	16.4
187.11195	6.1
187.14845	6.7
189.12752	10.7
190.13452	13.2
191.10686	7.7
193.10318	5.6
193.12265	15.8
195.11678	14.3
197.13217	8.2
199.11197	9.4
201.12683	10.8
203.14360	22.1
207.13799	8.6
207.66135	5.5
208.14551	8.1
209.13365	7.3
211.14883	7.3
215.10724	6.9
221.15340	100.0
222.15872	5.7
223.14824	7.9
234.16144	17.4
245.15295	5.8
247.16983	30.4
249.16180	7.9
259.16867	5.9
265.15945	5.0
274.19308	18.0
281.18945	7.0
287.20035	12.1
299.20074	12.7
313.21512	8.9
325.21628	13.6
335.40363	5.2
340.23917	15.1
352.23920	24.5
365.24704	9.2
371.75284	5.0
377.24634	6.0
387.25858	5.7
419.29349	10.5
427.28180	12.0
440.29150	40.2
474.88663	5.9
508.35519	9.9
520.35254	18.0
600.41272	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	600.4166
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01374	5.3
53.03935	8.4
54.05611	5.3
55.05503	26.1
57.07064	17.9
62.54088	5.1
67.05500	62.5
67.10424	5.2
69.03424	16.0
69.07067	18.0
71.75748	8.0
71.76096	8.1
74.80723	5.8
79.05492	39.5
81.07056	57.2
82.07397	8.0
83.04961	18.9
83.08574	7.9
85.06519	9.5
89.06029	14.6
91.05464	45.0
93.07037	80.8
95.04966	21.4
95.08588	62.4
96.08916	6.6
97.06548	14.1
105.07027	93.3
107.08574	69.6
109.06505	22.0
109.10151	24.4
115.05479	6.7
117.06999	14.7
119.08587	80.6
121.06507	12.7
121.10133	46.1
123.08061	29.5
124.87305	5.8
125.09646	11.7
128.06212	19.1
129.07014	22.2
131.08565	40.0
133.06439	8.0
133.08568	8.5
133.10127	44.7
135.08008	29.5
135.11703	11.6
137.09605	14.5
141.06981	10.3
142.07759	23.1
143.08527	56.2
144.09338	16.7
145.06467	7.7
145.10139	59.1
147.08028	33.5
147.11674	23.7
149.09628	14.7
151.07559	21.1
155.08551	12.2
156.09338	24.2
157.10115	72.9
158.10944	13.9
159.08015	20.8
159.11670	38.7
161.09616	31.9
161.13217	11.4
163.11159	25.9
165.06989	7.9
165.09102	46.9
167.08569	10.1
167.10660	16.6
169.10092	21.8
170.10823	13.7
171.11662	37.3
172.12379	8.2
173.09599	10.5
173.13295	23.2
175.11214	24.0
175.14807	10.5
179.08530	8.6
179.10626	6.9
180.09320	7.5
181.10069	17.8
181.12222	18.2
182.10890	10.4
183.11696	23.2
185.13272	19.5
187.11247	14.2
189.12730	10.7
190.13583	9.4
193.10178	10.9
193.12199	11.8
194.10887	6.2
195.11589	28.2
196.12373	11.0
197.09518	7.9
197.13272	22.9
199.11095	10.3
199.14792	8.9
201.12721	11.3
203.14345	23.6
205.12195	6.1
207.11667	18.1
207.13776	15.4
208.12474	8.2
208.14493	10.5
209.13304	17.9
211.14796	17.2
213.12579	12.4
218.10938	6.4
219.13805	10.0
221.13235	15.5
221.15376	86.3
223.14864	12.5
227.14328	8.3
233.13298	9.3
233.15311	30.1
234.16101	10.8
235.14705	14.7
237.12639	12.7
237.14522	28.2
239.14384	9.5
247.17084	8.8
248.14211	12.6
253.15840	9.3
255.17490	20.6
261.16211	7.0
263.18073	7.1
274.19333	15.6
286.19168	19.3
287.20016	16.4
299.20206	11.0
303.19559	51.3
312.20990	6.1
313.21573	17.5
325.21497	9.6
337.21487	13.0
352.23947	100.0
365.24756	19.9
383.26154	6.3
487.31992	8.3
502.33810	7.3
503.34650	11.2
507.34595	9.4
520.35413	49.3
570.74854	7.0
600.41199	22.8
600.50372	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	600.4166
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	9.8
56.52353	4.4
57.07058	14.1
67.05500	37.1
69.03404	7.8
69.07052	6.5
71.74979	5.8
79.05480	21.5
80.25960	5.5
81.07040	39.5
83.04973	8.7
83.08561	5.1
85.06530	7.9
89.06041	8.7
91.05468	33.1
93.07033	41.3
95.04948	9.9
95.08591	34.7
97.06513	11.0
105.07019	59.2
107.08596	22.6
109.06521	13.8
109.10130	7.6
115.05424	6.0
117.07018	17.2
119.08566	64.0
121.06517	7.8
121.10139	31.3
123.08057	25.0
125.05968	16.9
129.06964	8.9
131.08554	26.5
133.06480	7.6
133.10100	29.7
135.08049	20.8
135.11708	8.3
135.45901	5.2
137.09622	16.7
139.07666	4.4
142.07823	9.0
143.08545	24.2
145.10120	37.4
147.08063	30.6
147.11604	5.5
149.09599	13.5
151.07507	8.6
155.08496	14.4
156.09299	6.6
157.10126	31.3
158.10861	8.6
159.08115	7.4
159.11700	21.6
161.09602	12.3
163.11212	18.6
165.09120	50.0
166.09517	5.6
169.10098	13.9
171.11697	16.4
173.09636	8.7
173.13225	11.1
175.11177	25.2
179.08546	4.8
179.10594	5.4
181.10127	11.2
181.12204	14.2
182.10890	6.3
183.11688	10.6
185.09561	7.6
185.13190	6.8
187.14937	5.7
189.12798	12.0
190.13618	9.9
193.12250	14.0
195.11746	9.5
197.13269	12.8
199.11098	8.6
201.12747	6.6
203.14333	20.4
207.11687	10.4
207.13867	9.8
208.14548	9.9
209.13336	7.2
211.14795	8.0
221.13261	12.0
221.15335	100.0
222.15691	12.0
234.16173	18.9
247.16881	29.2
254.16377	5.7
259.16959	8.2
274.19189	14.9
287.19971	8.0
299.20099	15.3
300.20551	5.8
311.20163	8.6
313.21695	11.8
325.21548	11.0
327.23251	5.3
340.23923	13.0
352.23932	22.2
365.24606	5.7
366.25586	5.4
415.25253	5.0
419.29382	8.3
425.26804	11.1
427.28174	13.4
440.29324	39.0
508.35239	10.3
520.35364	26.6
590.37799	6.0
600.41437	27.5
600.50323	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	600.4157
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06572	4.1
50.88699	4.6
53.96685	5.2
55.05494	12.8
57.07059	17.4
59.04997	6.7
67.05484	20.4
69.03405	18.1
69.07063	8.0
71.08598	5.1
71.20855	10.5
71.21233	8.8
79.05491	25.9
81.07054	34.9
83.04959	9.5
83.08585	5.3
83.78977	4.2
89.06003	5.9
91.05459	36.6
93.07038	48.9
95.04938	14.8
95.08607	31.8
97.06500	8.5
105.07024	77.2
107.08588	35.5
109.06495	15.3
109.10129	14.1
117.07019	23.3
119.08572	90.1
121.06470	12.3
121.10152	28.8
123.08049	32.1
125.05949	13.8
127.66348	3.8
128.06195	10.1
129.06973	15.7
131.08554	45.2
133.10153	36.9
135.08064	28.0
135.11664	6.2
137.09604	16.1
139.07588	5.3
141.06992	4.4
142.07738	15.7
143.08530	33.6
145.10123	53.9
146.10420	5.9
147.08055	44.3
147.11652	7.6
148.08408	5.0
149.09608	17.1
151.07512	17.1
155.08525	16.6
156.09309	10.0
157.10101	39.3
158.10800	7.7
159.08112	8.7
159.11708	32.5
160.08778	7.7
161.09601	13.1
161.13217	5.4
163.11163	26.6
165.09096	66.5
166.09454	9.1
167.08560	7.1
169.10124	25.4
170.10843	11.6
171.11649	25.7
173.09679	15.3
173.13222	8.8
175.11134	31.8
175.14677	5.5
179.08575	6.5
181.10091	6.8
181.12212	16.6
182.10872	9.4
183.11678	19.1
185.13196	14.0
187.11169	10.3
189.12685	9.7
190.13458	7.9
191.10773	8.8
193.12238	15.0
194.10909	6.7
195.11673	17.4
197.13203	13.3
199.11200	8.0
200.12068	5.9
201.12665	8.8
203.14291	26.3
207.11827	8.3
207.13817	12.7
208.14532	10.9
209.13252	10.4
211.14766	5.6
219.13734	8.2
221.13301	10.7
221.15314	100.0
222.15721	13.0
223.14738	10.6
224.11992	5.9
225.12662	6.7
232.12514	5.5
234.16136	23.6
237.12604	10.5
247.16988	32.0
249.16318	5.0
259.17065	7.3
271.16867	5.5
274.19370	7.9
285.18454	5.6
287.20020	10.7
299.20026	11.5
312.20752	7.2
313.21460	6.9
325.21506	10.9
337.21744	5.0
340.23865	16.7
352.23907	21.2
365.24588	6.2
391.26724	5.2
419.29446	10.6
425.26764	8.8
427.28485	13.6
437.47452	4.9
440.29211	41.0
442.30905	5.9
508.35147	6.7
519.11157	4.5
520.35352	21.1
600.41473	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	600.4165
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05484	15.1
67.05488	46.7
71.75311	17.9
76.94999	10.8
79.05486	18.9
81.07042	46.2
89.05989	16.5
91.05511	23.0
93.07028	25.1
95.08580	38.4
105.07015	29.6
107.08572	19.3
115.99422	11.9
119.08546	35.4
123.08052	14.4
131.08557	22.5
133.08585	13.8
133.10175	14.1
135.08032	11.0
137.09657	12.2
143.08531	12.0
145.10094	26.6
145.42715	12.9
147.08041	20.0
149.09518	14.3
157.10078	26.0
159.11606	20.1
165.09094	37.3
169.10097	16.6
171.11594	17.5
183.11745	14.5
193.11996	15.6
195.93518	13.8
203.14268	17.4
213.36923	10.7
221.15353	100.0
234.16095	14.4
247.16866	21.8
267.70319	12.2
325.21509	11.3
332.41281	12.1
352.24091	21.3
400.36234	12.0
427.28088	17.9
440.29132	33.4
474.71667	12.6
520.35303	23.7
600.41449	17.3
600.50171	24.5
629.53973	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	600.3887
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98605	0.1
55.05501	0.2
57.03414	0.2
67.05491	0.3
69.03403	0.4
69.07043	0.3
70.06586	1.3
70.21721	0.3
70.22105	0.5
71.04963	0.2
72.08147	0.6
79.05479	0.4
81.03410	0.2
81.07049	0.6
84.08123	0.3
85.02883	0.4
86.06112	0.1
86.09708	0.8
91.05474	0.3
93.05820	0.2
93.07033	0.4
95.04969	0.2
95.08601	0.5
105.07021	0.5
106.06543	3.2
107.08568	0.5
109.10164	0.2
110.07128	0.2
116.07091	0.1
119.08579	0.4
120.08114	0.9
121.10167	0.2
127.03876	0.2
130.06572	0.1
131.04958	0.1
131.08505	0.2
133.10158	0.1
136.07541	0.2
137.06010	0.3
137.08340	0.5
137.09598	0.3
137.31105	0.1
143.83659	0.1
144.08046	0.1
145.10057	0.2
146.05843	0.2
146.11693	0.1
151.03891	0.1
162.09085	0.3
164.10703	0.5
167.06999	0.3
172.11215	0.2
183.14935	0.2
188.10625	0.2
204.13704	0.1
239.11557	0.2
241.13496	0.1
242.58333	0.1
267.11166	0.2
285.12344	0.4
286.12753	0.3
294.22122	0.2
299.13858	0.2
303.13409	0.2
352.26297	0.2
362.28583	0.2
376.29987	0.8
390.27631	0.2
394.30978	2.2
406.30978	1.2
420.32520	2.0
422.30530	0.1
424.16431	0.1
438.33658	6.0
556.36255	2.6
557.25793	0.3
570.33917	0.2
600.38879	100.0
601.28033	1.8
601.39154	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.3887
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98605	0.1
55.05501	0.2
57.03414	0.2
67.05491	0.3
69.03403	0.4
69.07043	0.3
70.06586	1.3
70.21721	0.3
70.22105	0.5
71.04963	0.2
72.08147	0.6
79.05479	0.4
81.03410	0.2
81.07049	0.6
84.08123	0.3
85.02883	0.4
86.06112	0.1
86.09708	0.8
91.05474	0.3
93.05820	0.2
93.07033	0.4
95.04969	0.2
95.08601	0.5
105.07021	0.5
106.06543	3.2
107.08568	0.5
109.10164	0.2
110.07128	0.2
116.07091	0.1
119.08579	0.4
120.08114	0.9
121.10167	0.2
127.03876	0.2
130.06572	0.1
131.04958	0.1
131.08505	0.2
133.10158	0.1
136.07541	0.2
137.06010	0.3
137.08340	0.5
137.09598	0.3
137.31105	0.1
143.83659	0.1
144.08046	0.1
145.10057	0.2
146.05843	0.2
146.11693	0.1
151.03891	0.1
162.09085	0.3
164.10703	0.5
167.06999	0.3
172.11215	0.2
183.14935	0.2
188.10625	0.2
204.13704	0.1
239.11557	0.2
241.13496	0.1
242.58333	0.1
267.11166	0.2
285.12344	0.4
286.12753	0.3
294.22122	0.2
299.13858	0.2
303.13409	0.2
352.26297	0.2
362.28583	0.2
376.29987	0.8
390.27631	0.2
394.30978	2.2
406.30978	1.2
420.32520	2.0
422.30530	0.1
424.16431	0.1
438.33658	6.0
556.36255	2.6
557.25793	0.3
570.33917	0.2
600.38879	100.0
601.28033	1.8
601.39154	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.2941
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.2
55.01853	1.7
55.05264	0.7
55.05506	7.1
56.05025	1.0
57.03421	0.7
58.99574	3.1
59.04995	1.0
59.46041	0.5
65.03917	0.5
67.05498	8.9
68.05843	0.5
69.03430	0.6
69.07066	4.4
69.69808	3.2
70.06562	1.6
71.04973	0.8
72.08156	0.5
73.02898	0.6
74.00660	3.0
76.02222	4.1
76.04003	0.7
79.05487	6.4
80.05033	1.0
81.03404	1.7
81.07046	10.7
83.04974	1.1
83.06101	1.3
83.08611	6.7
84.04484	4.3
84.08154	0.6
85.01109	0.5
85.02905	1.0
85.06548	1.0
86.00641	0.9
86.99039	1.2
88.02233	0.6
91.05464	5.1
93.07029	6.8
94.06550	1.2
95.04961	5.9
95.08603	5.2
95.84316	0.4
97.01095	1.7
97.02902	0.6
97.06522	0.6
97.10175	1.9
99.01414	0.5
99.04465	0.6
103.05449	0.5
105.07008	5.9
106.06543	0.9
107.04964	1.8
107.07335	0.6
107.08569	4.2
108.08096	1.4
109.06496	2.0
109.10134	3.0
111.02641	2.2
111.07999	0.9
112.02171	2.1
112.11250	0.6
114.03753	1.1
116.01653	8.5
117.06976	2.6
118.06498	0.7
119.08570	5.0
120.08076	1.6
121.06493	1.3
121.10151	2.8
122.09656	0.5
123.02631	0.8
123.08063	1.7
123.11699	1.0
125.04219	1.1
125.09610	1.0
126.03732	1.9
127.03874	0.6
129.06677	1.5
130.05009	2.5
131.08525	3.5
132.08078	0.8
133.06500	0.7
133.10124	2.6
134.09685	0.6
135.02682	0.5
135.08028	0.9
135.11700	1.7
137.04237	0.9
137.09602	1.0
138.03661	2.3
139.03177	0.5
140.05197	0.8
141.04785	0.7
142.03218	3.0
143.08525	1.2
144.01132	2.1
145.06264	0.8
145.10126	3.5
146.09605	0.5
147.11656	2.3
148.11186	0.5
149.09589	2.8
150.03691	0.9
151.05783	0.6
152.05292	1.0
153.06560	1.0
157.10085	0.6
159.10501	0.5
159.11731	1.7
161.09622	0.6
161.13168	0.5
162.02168	2.6
162.12761	4.3
163.05798	0.6
163.11147	3.1
165.12779	1.1
168.08299	0.6
169.06891	0.5
169.10107	0.7
170.02753	0.9
171.11627	0.6
173.09557	0.7
173.13182	0.8
175.11214	0.6
176.14331	1.7
177.12827	0.7
179.04840	1.3
179.12540	0.5
180.08430	0.6
181.06113	0.7
182.09897	0.6
185.03799	1.4
187.05399	0.9
188.14268	0.7
191.08855	0.7
192.13800	0.6
193.12183	0.7
194.09969	1.5
196.11443	0.6
199.07178	0.8
202.15895	0.5
208.11615	0.8
210.09042	0.5
222.14973	0.9
223.11453	0.7
223.13281	3.1
224.10985	0.6
231.04305	3.3
231.78337	0.6
233.05910	0.7
235.60088	0.5
236.11066	0.8
237.09430	0.7
241.06441	0.5
242.12166	0.8
245.05933	0.8
254.12009	2.9
257.07590	0.7
257.18881	0.8
262.12579	1.6
268.13498	0.6
275.20065	6.3
280.13696	2.2
282.15384	1.0
290.21039	1.1
292.22586	1.2
293.18024	1.0
293.21048	8.4
304.22629	1.1
306.18915	0.8
307.17413	2.1
308.09164	0.8
317.26755	1.1
324.19897	6.4
332.20410	1.6
333.18860	2.3
337.15976	0.9
347.13205	0.6
350.21417	9.3
351.19867	1.0
360.20010	0.9
365.15231	0.8
368.22482	10.0
378.20844	0.8
383.16446	1.9
407.23956	2.1
435.23099	1.4
453.24152	100.0
454.18658	0.5
454.24164	3.5
471.12738	0.5
525.26422	7.1
582.28668	1.5
583.26886	0.6
600.29626	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.2942
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.7
55.01854	1.5
55.05508	4.0
57.03429	0.6
57.07062	0.8
58.99579	1.0
61.53730	0.4
65.03938	0.6
67.05499	8.3
68.05042	0.4
69.07063	4.4
69.94872	0.9
69.95288	2.0
71.04961	0.7
74.00658	3.1
76.02203	1.6
79.05490	8.1
80.05004	1.9
80.97391	0.4
81.03412	1.2
81.05798	0.8
81.07051	21.8
82.06579	0.8
83.04971	1.0
83.06082	1.8
83.08619	4.2
84.04507	5.9
85.01108	1.2
85.06514	0.9
86.00641	0.6
86.47671	0.4
88.02177	0.5
91.05470	7.1
93.05789	0.5
93.07037	7.4
94.06538	0.8
95.04951	2.6
95.08596	11.7
96.08130	0.5
96.34224	0.4
97.01113	1.3
97.06498	1.0
97.10149	1.2
99.01412	5.1
99.05570	0.7
100.02194	6.3
102.05527	0.8
105.07022	7.6
106.06544	0.8
107.04985	1.9
107.07407	0.5
107.08582	5.8
108.08074	1.0
109.06519	4.3
109.10139	3.6
111.02613	1.2
111.08061	1.3
112.02187	8.9
113.02962	1.3
113.04226	0.8
114.03748	8.1
116.01675	1.9
117.07002	2.3
119.05998	0.4
119.08581	5.7
120.08086	1.1
121.06509	1.4
121.10107	3.3
122.09635	0.6
123.02595	0.6
123.08035	1.4
123.11692	1.5
125.04192	1.4
125.09669	0.6
126.03732	3.2
129.06683	1.8
130.04955	2.2
131.08562	3.7
132.08070	0.6
133.06396	0.7
133.10114	3.3
134.09607	0.7
135.02557	0.4
135.08032	1.2
135.11674	0.7
136.03949	0.6
137.04158	0.8
137.09564	0.8
138.03735	2.4
139.02132	0.8
139.03203	0.5
139.05746	0.6
140.04297	0.6
140.05292	7.9
141.04781	0.4
141.05940	0.4
141.07101	0.6
142.03239	1.1
143.08455	0.5
144.01089	0.5
145.06100	1.0
145.10127	3.1
147.08070	0.6
147.11667	3.7
148.11169	0.5
149.04144	0.7
149.09598	1.5
149.13251	1.8
151.05757	0.5
151.11168	0.6
152.05290	2.1
153.06589	0.9
154.06850	1.8
156.08446	0.5
157.10118	0.8
159.08041	0.6
159.11673	1.7
161.09602	0.5
161.13284	0.5
162.02203	1.0
163.11140	1.8
163.14789	1.1
165.07185	0.5
165.12724	0.9
166.06844	1.8
168.08409	17.7
169.10179	0.7
170.02579	0.5
171.11646	0.8
173.09531	0.6
173.13240	2.2
175.11118	0.6
179.04907	1.5
181.06071	0.5
185.03827	1.9
187.05376	0.9
191.14314	1.5
197.13319	0.5
197.59370	0.5
202.04065	1.9
207.13794	0.7
208.16823	0.5
209.15373	2.5
216.05656	1.8
231.04366	3.4
233.05898	1.3
236.14630	1.5
236.16629	0.7
241.06474	1.0
245.05966	0.4
247.20663	0.6
250.12363	0.5
255.07982	2.7
256.08859	0.4
257.07562	0.6
257.19061	0.7
264.14133	6.8
265.15088	0.6
269.09534	1.9
270.10336	6.4
271.10995	1.4
274.10431	0.5
275.20068	8.3
280.14227	0.5
281.14389	2.0
282.15207	31.3
283.15598	0.6
293.21158	2.5
307.17325	0.6
308.09174	0.9
323.16043	1.3
323.20209	1.0
324.19809	1.1
332.20532	1.0
333.18735	3.0
339.17432	0.8
350.21478	10.1
351.19775	2.4
368.22522	11.0
378.20898	0.9
384.17096	14.9
385.17715	3.0
407.23694	1.0
435.23108	0.6
453.24155	100.0
454.24472	3.1
479.25705	0.9
525.26184	6.7
526.26636	0.6
582.28363	1.9
600.29370	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	600.2942
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42841	0.8
53.03937	1.4
55.01855	3.1
55.05501	23.5
57.03416	1.0
57.07053	1.8
57.98789	1.2
58.99577	18.2
59.04988	2.9
67.05499	13.6
69.03411	3.9
69.07056	15.5
70.06576	2.7
70.27369	3.2
70.27810	1.8
71.04979	1.6
71.08636	1.2
72.08149	1.0
73.02908	0.9
73.06560	1.1
76.02219	96.0
76.03990	2.9
79.05482	13.3
79.92444	0.9
80.05029	1.5
81.03403	1.1
81.07050	14.6
83.04982	1.8
83.06102	1.6
83.08609	18.9
84.04495	18.0
85.02876	2.5
86.99046	4.7
88.02203	2.1
91.05467	7.3
93.07028	10.7
95.01411	1.1
95.04974	3.0
95.08594	9.8
97.06516	2.9
97.10158	30.7
102.05553	1.5
105.07017	9.3
107.04919	2.4
107.08576	20.8
109.06496	3.6
109.10152	3.9
111.08073	1.9
111.11713	1.4
114.03705	1.5
116.01664	25.2
116.07150	1.0
117.06982	2.7
119.08576	6.1
120.08132	1.0
121.06489	2.6
121.10132	4.1
123.08070	1.5
125.09613	18.7
126.22166	0.9
129.06573	1.3
130.04996	9.1
131.08557	5.1
133.10075	5.5
135.08032	3.6
135.11708	2.5
137.09633	1.7
141.04796	1.0
142.03206	10.9
143.08559	1.4
144.00011	1.6
144.01117	16.5
145.06017	1.0
145.10083	5.6
147.11678	4.2
149.09651	3.1
153.09081	1.8
159.11688	2.8
161.09641	1.0
161.13231	2.6
162.02180	51.1
163.11148	1.8
165.11267	0.9
169.10178	1.2
170.02686	3.9
170.11824	1.2
171.10179	1.6
171.11691	1.4
173.13255	2.1
179.04829	100.0
183.11696	1.2
184.37689	0.9
186.56090	0.9
187.05330	3.1
187.11116	1.0
189.11171	18.3
201.12874	1.2
207.13857	2.1
215.04897	2.4
216.03389	1.3
219.13777	1.3
228.10495	1.7
233.05869	15.2
239.17896	1.5
245.05899	4.5
246.11609	1.1
256.09988	1.6
257.19016	3.7
270.06110	0.8
273.18460	1.8
274.11053	3.2
275.20020	33.5
290.07996	1.4
291.06546	2.1
291.19501	2.1
293.21069	16.4
308.09091	29.4
308.12720	1.7
309.03812	1.0
317.26761	5.5
333.18762	1.4
335.27798	2.8
350.21304	2.1
351.20148	1.3
368.22543	16.1
453.24048	4.2
471.25174	17.0
525.26416	6.8
582.28424	2.2
600.29706	6.4
616.54498	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.2942
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.2
53.16926	1.2
54.64054	1.2
55.01856	1.4
55.05512	11.3
56.05015	2.1
57.03427	1.8
57.07072	2.6
57.98769	1.4
58.99577	15.2
59.04992	2.7
62.46738	1.2
65.03937	1.9
67.05500	24.0
69.03416	2.2
69.07069	11.6
70.06590	4.6
70.80312	3.3
71.04984	2.1
72.08144	1.4
73.01151	1.3
76.02222	66.9
76.03996	3.2
79.05495	15.1
80.04984	1.2
81.03423	2.3
81.07047	23.4
83.04983	2.0
83.06103	4.9
83.08611	10.0
84.04499	13.7
84.08125	1.9
85.01118	1.6
85.02905	2.0
85.06557	2.5
86.99050	5.1
88.02195	1.8
91.05474	21.7
93.07031	13.9
95.04952	5.6
95.08606	14.8
97.06518	1.7
97.10155	3.8
99.05570	2.5
105.07015	24.0
107.04900	2.2
107.08606	10.7
109.06527	3.0
109.10165	10.3
113.04195	2.9
116.01670	22.9
117.07005	8.1
119.08571	20.0
121.06506	4.6
121.10128	6.9
123.11745	2.8
123.18864	1.4
129.06575	2.1
130.05023	4.9
130.06807	2.8
131.08548	8.6
133.10126	20.3
135.08032	2.1
135.11649	3.1
137.09601	3.0
141.07188	1.7
142.03223	8.4
143.08545	2.1
144.01125	12.4
145.06133	1.6
145.10104	8.4
147.08041	1.6
147.11671	10.4
149.09610	4.4
156.08342	1.6
157.10152	2.4
159.11736	6.8
161.13255	4.1
162.00893	2.5
162.02199	37.9
163.11217	1.8
169.10056	2.1
170.02724	4.8
171.11627	1.4
173.09557	1.6
173.11932	1.5
173.13300	5.4
177.12759	1.6
179.04845	100.0
183.11633	1.7
187.05394	4.2
187.14909	1.4
215.04848	1.6
233.05890	13.5
245.06047	3.6
247.20650	3.9
257.18979	4.3
275.20047	67.3
276.20279	2.7
289.19019	1.4
291.06412	2.8
293.21109	13.9
308.09085	25.8
308.12646	1.5
317.26904	4.0
329.32010	1.4
333.18781	8.0
350.21347	4.7
351.19824	5.0
368.15018	1.3
368.22623	8.5
378.21118	1.5
408.48868	1.7
442.25568	1.5
453.24255	15.0
471.25220	3.3
492.00449	1.4
507.25421	2.2
525.26324	13.6
527.01678	1.5
582.28143	9.0
600.29132	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	600.2284
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92537	0.8
55.01867	2.0
65.03912	1.1
67.05476	0.7
68.99786	6.1
69.03377	0.8
70.06581	11.3
71.24044	1.5
72.08139	2.7
79.05481	4.9
81.03387	1.0
81.07025	1.0
83.88953	0.7
84.04476	1.8
84.08116	2.7
85.02877	1.5
86.09710	4.7
89.03880	1.8
91.05466	15.4
95.04933	2.9
100.61433	0.8
101.07123	0.8
102.05513	1.0
103.05457	2.3
105.03371	1.0
105.07010	2.2
105.36806	0.7
106.04117	0.9
107.04937	4.4
109.06500	2.0
110.07133	1.3
111.04420	2.2
115.05365	0.9
117.03352	3.3
118.04140	1.3
119.04939	14.9
120.08073	1.2
121.02858	2.3
121.06487	2.1
122.03575	0.8
122.07214	1.1
123.04417	1.5
123.08015	1.0
125.05980	2.5
127.03867	0.9
129.10211	2.4
130.04066	0.8
131.04884	4.6
133.02827	2.1
133.06480	2.4
134.03610	1.9
135.04385	9.4
136.07605	1.6
137.05963	9.1
139.07521	4.4
145.02893	1.1
147.04404	10.8
149.05925	2.5
151.07532	5.4
153.05446	2.2
161.05959	6.3
162.03145	0.9
162.06755	6.3
163.03877	17.6
163.07494	3.8
165.05502	1.6
167.06996	4.7
177.05396	2.5
179.07007	16.3
180.04170	6.6
181.04875	1.7
195.06532	8.6
207.06473	1.4
208.03633	2.2
209.77046	0.8
217.05017	1.0
223.05997	100.0
224.06361	2.5
229.11748	1.0
249.07506	1.9
277.08524	1.0
303.50912	0.8
341.10043	0.9
353.10104	5.9
357.13312	1.0
371.11227	3.3
377.91266	0.7
385.12811	2.7
479.78781	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.4092
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22374	3.0
53.03950	8.5
55.01875	8.9
55.05510	54.2
57.07063	8.0
59.04985	4.0
65.03931	8.6
67.05502	45.9
69.03423	29.0
69.07059	30.0
69.44469	29.7
71.04630	2.8
71.04986	16.5
79.05483	34.9
81.03446	3.3
81.07049	40.2
83.04974	26.8
83.08611	61.4
85.06564	6.1
86.00282	2.7
87.04469	4.0
91.05473	56.8
93.07035	70.2
95.04964	41.6
95.08594	54.9
97.06527	54.5
97.10146	3.9
98.98486	5.7
103.05492	3.7
105.07024	91.5
107.04919	6.0
107.08592	100.0
109.06514	18.6
109.10140	41.8
111.08080	10.5
111.11706	4.7
113.09648	29.0
115.05479	6.2
116.06271	5.0
117.07016	19.0
119.08569	79.1
121.06510	14.2
121.10136	82.6
123.08074	21.3
123.11707	10.7
123.76829	3.4
125.09624	33.1
128.06181	13.4
129.07011	18.3
130.07797	5.5
131.08560	40.1
133.06543	4.8
133.10106	49.8
135.08073	14.4
135.11679	14.9
137.09608	11.9
139.11160	32.8
141.07007	8.5
142.07773	30.3
143.08566	43.8
144.09303	5.7
145.10118	55.0
146.07184	3.1
147.08057	10.1
147.11696	18.8
149.09607	22.1
151.11269	3.3
153.06956	4.7
153.12723	11.0
154.07718	5.0
155.01030	3.9
155.08562	24.5
155.10648	28.4
156.09303	19.2
157.10121	62.4
158.10905	5.5
159.08061	20.7
159.11705	37.3
160.08827	3.3
161.09612	15.5
161.13225	7.7
163.11208	9.8
165.06903	5.9
165.09145	3.4
165.12769	4.3
167.08537	10.2
167.10666	78.5
167.14340	3.6
168.09372	8.9
169.10139	37.8
169.12357	4.5
170.10953	10.8
171.11687	37.5
173.09618	8.0
173.13272	17.3
175.11131	6.7
175.14848	9.4
179.08571	17.8
179.14316	15.8
180.09334	8.3
181.10193	20.9
181.12218	37.8
182.10947	13.6
183.11690	30.3
184.12399	5.1
185.09624	8.7
185.13193	15.3
187.11194	10.0
187.14885	3.3
189.12741	8.3
191.14406	5.3
192.09323	5.0
193.10109	17.2
194.10837	15.9
195.11713	27.8
195.13824	8.2
196.12419	7.1
197.09558	4.0
197.13246	34.1
199.11157	4.4
199.14859	11.2
201.12827	6.3
203.08508	3.4
203.14285	3.2
205.15884	4.6
206.10925	9.1
207.11702	23.4
207.13652	6.4
208.12465	10.1
209.13268	48.2
209.15259	6.0
210.13968	3.8
211.11134	3.0
211.14793	19.4
215.14368	6.7
217.10236	3.4
217.15938	9.7
218.10941	4.9
219.11731	8.6
220.12520	7.0
221.13264	17.0
221.15401	18.5
222.13960	4.7
223.11217	4.7
223.14819	22.1
225.12732	3.5
225.16386	6.4
227.14410	6.1
230.10835	4.1
231.11638	7.1
233.13269	10.4
233.15381	52.9
234.14027	4.6
235.14871	11.3
237.12790	5.2
237.16399	8.4
239.14412	3.4
241.15837	5.1
243.17369	4.4
245.13188	7.0
245.15407	6.0
247.14807	6.4
247.17007	10.3
249.16254	14.6
251.17906	3.4
253.15887	5.6
257.18954	4.7
259.14743	8.9
259.17163	5.5
261.16425	7.4
263.17990	8.8
269.19104	6.4
271.14670	4.3
273.18683	7.4
275.17795	6.2
277.19196	4.2
279.21054	3.3
281.18948	8.1
283.20688	3.3
285.18509	9.5
287.20218	3.7
289.19427	4.1
291.17365	3.6
299.20181	19.8
311.20160	6.9
316.29156	3.6
321.22098	3.0
325.21628	4.0
339.22906	3.8
339.28958	19.9
351.23102	3.4
363.23331	3.3
364.24301	4.3
365.24753	7.9
373.24902	3.8
377.24622	9.5
383.25848	6.2
391.26404	5.2
413.28458	6.2
431.29410	8.8
443.28403	3.1
571.95850	3.6
581.39911	11.0
599.40936	60.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.1965
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.0
53.49574	0.4
55.01859	0.8
56.56904	0.4
57.03421	0.7
61.01135	1.4
61.97456	0.4
66.91731	0.4
67.05489	0.6
69.03423	1.1
70.06586	12.2
71.00120	0.5
71.00456	0.9
72.08161	0.6
79.05477	1.3
81.03403	0.7
84.04486	0.9
84.08125	2.9
85.02902	2.6
85.07675	0.9
86.09688	1.1
91.05492	0.8
95.04965	1.6
97.02878	1.1
97.16571	0.4
98.06031	0.6
101.07104	0.5
101.66724	0.4
103.03942	0.7
105.03329	0.4
105.06989	0.7
107.04942	100.0
108.05261	1.1
109.02885	0.9
117.65688	0.4
118.06862	7.6
118.07658	0.6
121.02827	1.9
121.06486	0.9
126.05511	0.5
129.10249	3.3
130.06555	0.9
131.04915	1.6
133.06485	0.9
135.04370	0.8
139.03911	0.9
141.06981	0.4
145.06505	0.8
147.04414	1.6
149.05965	1.1
151.03865	1.3
155.21252	0.4
159.04427	1.0
159.07996	0.5
159.09172	1.4
161.05908	0.4
163.03896	1.5
163.08995	0.5
165.01877	0.5
167.07005	0.4
171.04358	1.0
173.05977	1.8
175.03917	2.4
177.05420	2.1
181.04974	1.4
181.06458	0.4
183.15009	0.6
185.05920	0.9
187.03880	1.7
189.05521	0.9
191.03380	0.7
193.05009	2.9
197.05902	0.6
200.14005	0.6
201.05426	1.6
203.03516	0.5
203.07089	0.7
205.04926	4.3
207.06461	0.8
213.05502	0.9
217.04932	4.9
219.02913	0.7
219.06496	1.7
221.04451	1.2
223.06053	1.5
225.05540	0.8
227.07120	0.4
229.04930	1.7
231.06532	1.5
233.04436	0.8
235.06073	3.3
241.04984	1.5
243.06561	1.1
245.08141	0.7
247.05959	5.2
253.04913	0.7
255.06572	0.8
259.06030	6.3
271.06024	3.0
273.07559	1.1
274.12198	1.4
277.07028	1.4
281.08118	0.7
283.06058	2.0
285.07477	1.2
287.09094	0.8
289.07059	2.7
293.08417	0.4
295.05875	0.9
297.07614	1.2
299.09146	1.4
301.07028	3.4
311.09100	2.0
313.06973	2.1
315.08560	0.5
317.10092	1.0
319.08188	1.1
323.08990	0.6
325.06967	2.3
329.10156	3.1
337.07141	0.5
341.10059	2.9
343.08246	1.2
353.10223	5.6
355.08188	0.6
361.09045	0.6
365.10089	3.9
373.18900	1.1
377.10178	1.7
383.11218	6.6
389.10260	1.2
395.11285	7.2
401.11975	0.8
407.11246	6.8
413.12357	2.5
419.11160	5.6
425.12186	3.2
431.13458	8.6
443.13614	2.0
449.12302	5.4
461.12790	2.5
467.13419	3.2
473.12170	1.2
479.13388	3.5
485.14264	1.6
491.13248	1.4
497.14301	4.8
509.14459	2.6
527.15460	1.4
545.16156	1.1
599.34180	0.7
599.85016	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.4885
Annotation	Unknow
Peak:m/z	Relative Intensity
54.86556	1.9
55.05493	2.3
57.03407	2.9
57.07070	100.0
59.04715	3.4
59.04997	43.4
68.91418	1.7
69.07050	1.9
69.60358	16.6
71.08621	83.3
83.08609	4.3
85.10170	66.7
89.06025	23.9
97.10162	2.4
99.11732	11.4
101.09659	2.2
113.13268	2.8
117.09119	11.9
128.03810	1.7
133.08594	6.7
145.10074	2.0
155.17915	7.3
177.11235	5.2
195.12201	4.1
197.13313	2.0
205.59958	1.7
213.22141	12.8
221.15340	1.7
253.16444	2.3
271.26254	13.8
518.08105	1.8
585.57147	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.3246
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	27.0
57.07060	15.2
67.05174	7.1
67.05497	75.2
69.07052	30.0
70.58184	16.8
71.08620	6.8
73.02920	4.5
75.04481	4.5
79.05476	23.6
81.06597	6.8
81.07045	77.0
83.08603	18.9
85.10201	5.4
91.05470	18.5
93.07021	33.4
95.08598	80.1
97.06544	7.1
97.10132	13.8
98.20771	5.8
98.21310	4.5
104.10713	16.9
105.07021	12.6
107.08580	19.4
108.34554	4.1
109.10159	41.3
110.19647	4.2
110.54852	3.8
111.08066	7.5
119.08565	10.5
121.10116	19.2
123.11692	20.6
125.09596	4.7
128.85216	4.0
133.10103	15.2
135.11650	14.2
137.13245	9.1
141.12726	9.4
147.11668	14.5
149.13213	8.8
157.95891	4.9
161.13268	10.7
163.14761	7.4
165.16364	13.1
175.14818	12.6
179.17964	7.1
191.88966	4.6
193.15753	5.0
211.22516	4.3
245.22621	64.0
263.23709	100.0
264.72791	5.1
285.77747	5.4
332.17935	5.1
337.27304	54.9
337.82669	4.7
442.47995	5.7
466.63208	4.7
563.28510	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	598.3253
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41202	2.9
53.03933	2.7
55.01858	3.7
55.05511	19.1
56.36295	3.3
57.03437	4.2
57.07076	14.9
67.05505	76.8
69.03438	3.4
69.07061	23.6
70.06580	12.6
71.01727	8.3
71.08627	7.1
72.08157	2.6
79.05495	21.5
81.03435	2.8
81.07054	89.8
83.08620	20.5
85.10163	5.7
91.05460	17.6
93.07032	38.7
95.08600	80.0
97.06527	11.1
97.10169	12.1
99.08068	3.1
105.07029	14.4
107.08584	17.7
109.02892	5.3
109.10152	44.5
111.04382	3.5
111.08060	3.9
111.11743	4.3
116.07061	15.3
119.08594	17.1
121.10135	26.3
123.11711	19.9
126.88217	2.8
131.08562	4.1
133.10138	14.7
135.11702	15.7
137.13295	10.2
145.10106	4.5
147.11671	12.2
149.13266	8.3
151.14807	7.1
159.11731	4.1
161.13307	13.9
163.14832	9.6
165.16399	10.0
175.14830	12.1
179.14302	3.5
179.17940	8.8
189.16405	5.4
207.17404	3.0
215.14211	3.1
245.22603	65.6
263.23676	100.0
299.12939	3.8
300.12979	5.1
328.73721	3.2
337.27350	47.0
355.28427	4.3
448.08347	3.4
563.28790	10.6
598.38025	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	597.303
Annotation	Neobonaspectin B
Peak:m/z	Relative Intensity
53.03935	2.0
55.01867	1.4
55.05509	13.1
57.03436	6.3
57.07057	2.7
60.04491	1.0
65.03911	1.6
67.05500	40.0
69.03421	1.4
69.07061	19.4
70.06660	2.4
70.07085	3.9
71.04968	1.8
71.08606	1.1
79.05487	13.5
81.03410	8.4
81.07049	44.9
83.04974	1.5
83.08614	8.2
85.02871	1.2
85.06535	1.2
91.05465	9.8
93.07033	16.2
95.04963	1.3
95.08597	36.3
97.06512	2.6
97.10141	3.6
98.97805	2.1
98.98457	42.4
102.16991	0.9
105.07001	4.3
107.08572	6.9
109.02817	5.9
109.10150	12.4
111.08029	1.4
116.99479	1.7
119.08569	4.5
121.10126	7.2
123.08059	1.8
123.11700	5.9
127.03934	1.4
131.48007	1.0
133.10139	5.5
135.11670	4.7
137.13239	3.0
142.61205	1.0
145.10074	1.2
147.11644	3.2
149.13216	2.7
151.14816	1.3
155.01022	22.2
161.13223	3.0
163.14830	1.7
165.16409	1.8
173.02078	3.1
175.14821	2.0
184.68105	1.0
245.22723	5.1
261.03668	3.8
263.23706	12.3
317.06348	4.7
319.26315	1.7
335.07291	4.5
337.27344	100.0
338.27661	2.1
348.73203	1.2
425.29166	1.6
447.97055	1.1
561.27881	1.6
597.38934	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.3028
Annotation	Neobonaspectin B
Peak:m/z	Relative Intensity
53.03917	1.8
55.05506	11.7
57.03432	7.6
57.07074	3.0
64.66520	1.0
67.05498	27.5
67.85875	0.9
69.03432	1.5
69.07059	13.8
70.06285	5.9
70.21442	1.0
71.08623	1.1
75.04455	1.2
79.05479	7.1
80.16116	1.0
81.03410	9.9
81.07044	30.6
83.08611	6.7
85.02885	2.2
90.59998	1.1
91.05444	6.8
93.07027	9.2
95.08594	22.3
97.06503	2.5
97.10172	4.1
98.98456	27.9
105.07021	5.8
107.08588	4.2
109.02868	8.4
109.10149	8.2
110.42960	0.9
112.96627	1.1
119.08576	4.6
121.10132	4.4
123.11668	1.1
125.09592	1.0
127.03918	1.7
133.10124	3.2
135.11691	1.4
137.13199	1.4
147.11713	2.5
155.01042	3.0
155.08708	1.1
163.06023	1.4
163.14851	1.3
173.02069	2.1
187.98518	1.2
233.15514	1.2
245.22646	1.3
261.03656	8.1
263.23660	2.7
317.06143	1.6
335.07401	2.0
337.27335	100.0
338.27826	2.2
344.49060	1.2
358.26462	1.1
457.21924	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.0284
Annotation	Unknow
Peak:m/z	Relative Intensity
55.74946	1.0
57.67183	0.9
59.54422	1.1
71.73517	1.3
174.88680	2.2
180.63808	1.0
186.49805	1.1
202.89157	1.7
221.04955	1.4
252.97121	6.3
253.97638	1.3
254.91245	100.0
254.96927	12.7
314.97781	9.7
326.97940	3.9
365.10428	2.4
381.07932	36.3
499.54059	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.2477
Annotation	alpha-Diceroptene
Peak:m/z	Relative Intensity
53.03928	0.7
55.05493	0.7
57.03417	0.7
65.03944	0.6
67.05497	1.4
69.03422	0.9
69.07063	0.7
71.72689	0.9
79.05486	2.8
81.07050	17.2
83.01332	13.7
83.04971	3.1
91.05476	8.1
93.07022	2.2
95.08590	1.4
96.39907	0.5
97.06518	2.7
99.08080	1.2
103.05442	1.5
105.03353	0.8
105.06994	1.5
105.43278	0.5
107.08537	1.0
109.06499	6.3
111.04436	2.8
115.05433	2.4
117.07027	0.9
119.08562	0.6
121.06490	0.6
121.10081	0.8
123.08047	1.1
125.05975	7.7
127.07549	15.5
129.06961	1.2
131.04892	5.9
131.08565	0.9
133.10139	0.8
135.04349	0.8
139.07509	1.0
143.08588	0.8
149.05977	5.1
151.07541	4.7
152.04691	3.5
153.05426	5.8
167.07051	4.0
169.08621	13.7
169.10045	1.3
177.05467	5.2
178.07719	0.7
191.08536	2.6
193.10141	2.4
195.06514	90.1
196.06873	1.4
211.09486	0.8
213.07558	41.4
214.07906	0.8
215.10466	0.6
219.08044	9.7
237.07491	0.9
257.11688	1.8
261.09119	2.0
297.11169	2.0
299.12756	100.0
300.13055	1.9
315.50613	0.7
326.41061	0.6
359.12802	1.2
373.14322	1.1
387.15872	5.3
401.17249	0.7
403.18860	1.0
411.15793	2.0
429.16980	6.6
526.06921	0.6
579.23315	4.9
597.24567	6.1
597.37976	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	596.327
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	4.5
55.01626	1.6
55.01857	9.3
55.05504	52.6
57.03430	18.1
57.07066	3.3
59.04989	7.9
61.02924	3.8
62.73319	1.7
65.03927	3.7
67.05495	100.0
69.03428	8.5
69.07053	13.1
69.64368	15.9
71.01340	2.2
71.04984	5.8
72.08144	3.4
73.02904	4.0
79.05482	29.1
80.21302	1.6
81.03411	20.0
81.07043	39.9
83.04967	13.2
83.08604	22.8
84.08147	2.3
85.02888	28.1
85.06532	4.4
85.26424	1.7
87.04454	14.7
87.62789	1.8
91.05466	19.4
92.45784	1.8
93.07029	17.7
95.04948	7.4
95.08602	15.3
97.02864	16.9
97.06520	5.4
97.10155	33.4
98.20674	1.8
98.51526	1.8
99.04457	3.3
103.03921	9.1
105.07021	10.0
107.04942	6.2
107.08573	20.2
109.02863	2.8
109.10139	74.6
111.04440	5.7
111.08059	5.3
117.06998	5.4
119.08559	13.0
121.06523	3.6
121.10154	8.3
123.08062	3.4
125.09621	41.9
127.03912	3.6
129.07030	1.9
129.83681	1.7
131.08565	3.5
133.10161	2.8
135.08008	2.1
135.11682	5.4
137.09586	2.9
143.10628	7.6
145.10068	7.6
147.11617	2.5
149.09508	2.6
153.12735	8.3
155.10670	7.4
163.11171	19.0
167.87460	1.5
173.09502	2.1
173.11725	46.0
181.12204	5.9
191.10690	7.1
193.12233	5.7
193.60448	1.5
199.13208	11.0
209.11726	15.5
211.13133	1.9
217.14352	4.2
227.12794	12.6
229.14325	49.8
257.13803	51.5
267.16016	1.7
283.15271	11.6
287.05435	4.1
288.05869	3.2
299.14816	1.9
300.14465	1.9
301.16415	26.7
314.55124	1.5
319.17557	6.2
389.17398	1.8
399.23499	2.7
560.13916	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	596.327
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.3
55.01863	7.8
55.05506	49.9
57.03430	20.4
57.07063	2.5
59.04997	8.6
61.02903	6.2
65.03931	2.6
67.05500	100.0
69.03416	5.8
69.07067	12.4
70.06597	3.8
71.01360	1.8
71.04984	5.4
71.48810	3.4
72.08216	1.8
73.02918	4.0
75.04478	1.9
79.05491	24.4
81.03408	17.3
81.06607	3.0
81.07053	36.7
83.04974	14.8
83.08607	23.4
85.02898	23.0
85.06528	4.6
87.04446	7.3
91.03951	2.1
91.05462	15.4
93.07037	16.4
95.04955	7.9
95.08611	15.5
97.02876	8.8
97.06515	4.3
97.10168	36.8
99.08070	2.0
103.03928	10.1
105.07029	5.7
107.04942	5.6
107.05696	1.7
107.08590	19.8
109.06538	2.5
109.09404	4.2
109.10149	75.8
111.04462	4.7
111.08072	4.4
117.07013	3.8
119.08554	9.2
119.09290	1.8
121.06487	2.8
121.10136	4.1
123.08023	2.3
125.09615	43.4
127.03887	2.0
131.08578	3.9
133.10114	3.7
135.08054	2.8
135.11668	7.1
137.09592	4.7
138.91399	1.9
141.03479	1.5
143.10622	9.6
145.10112	6.1
147.08040	2.3
153.12708	9.2
155.10658	8.3
160.47929	1.8
163.11172	11.4
173.09560	3.6
173.11736	39.0
175.11134	2.1
181.12213	6.2
191.10623	7.1
193.12248	3.9
199.13307	11.2
209.11732	10.5
211.13036	2.1
217.14352	3.3
227.12807	9.9
229.14336	62.6
245.13835	2.5
247.39445	1.8
257.13867	23.4
283.15326	12.2
287.05490	3.3
288.05814	3.1
301.16467	32.7
319.17572	7.4
327.25537	1.7
333.16571	1.9
335.17755	1.8
399.23682	4.0
422.87823	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2872
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	3.0
55.01870	3.2
55.05499	8.7
57.03429	12.6
57.07056	3.0
61.02913	2.4
64.68862	1.9
64.79183	2.1
67.05497	41.3
69.03438	2.8
69.07063	10.8
69.07392	1.7
71.04952	2.9
71.73199	3.1
72.08134	2.5
75.87433	2.1
79.05480	22.2
81.03391	6.9
81.07046	41.8
83.04984	3.0
83.08594	7.0
84.08132	2.5
85.02900	5.6
85.06555	1.9
87.42669	2.0
91.05473	16.4
93.07033	35.0
95.04969	3.2
95.08604	29.0
97.06516	2.7
97.10178	4.1
98.98467	18.2
105.07008	12.1
107.04936	2.7
107.08594	14.6
109.02848	4.6
109.10123	15.6
117.06986	5.8
119.08553	7.7
121.02845	3.6
121.10138	17.1
123.11670	5.8
129.05453	3.1
131.08562	11.7
133.10107	7.4
135.11659	10.6
142.04590	1.9
145.10062	8.0
147.11658	5.9
149.13234	5.6
153.01752	2.1
155.01030	4.7
159.11650	5.7
161.13210	2.3
163.14832	2.9
173.13220	4.1
213.65071	2.0
217.19505	2.2
243.21042	10.2
261.22150	9.3
262.53842	2.5
287.05463	31.0
288.05917	3.2
295.05963	5.2
297.07513	2.6
299.05313	2.7
307.05960	4.0
311.05435	2.4
317.24777	5.7
325.06970	8.8
329.06369	3.1
335.25760	100.0
337.07071	6.6
349.07300	2.6
353.06339	3.7
355.07727	2.4
379.07950	4.4
391.08240	3.6
395.07639	2.3
409.09018	3.9
427.10236	2.5
428.35379	1.8
439.10141	2.6
449.10754	2.5
457.11221	6.0
481.11328	3.1
541.13470	3.5
559.14417	2.6
595.27478	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	595.2871
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01768	1.5
53.03931	2.5
55.05505	8.3
57.03417	6.2
61.42990	1.4
61.43803	1.5
67.05499	35.9
69.03419	1.8
69.07054	6.6
69.86210	11.9
79.05487	16.8
81.03412	12.1
81.07043	31.2
83.08611	2.6
85.02902	2.3
91.05450	8.8
93.07022	21.7
95.08588	24.9
98.20593	1.8
98.98451	24.9
105.06999	5.6
107.08569	10.1
109.02834	8.8
109.10133	9.5
117.06977	2.3
119.08553	5.8
121.10128	6.4
123.04505	1.4
123.11708	3.4
131.08507	2.5
133.10133	2.2
135.11661	6.9
145.10103	2.0
147.11665	3.7
149.13231	1.8
155.00899	3.8
163.05954	2.6
166.51706	1.8
171.46016	1.6
223.00771	1.8
243.20970	2.3
261.03705	8.1
261.22113	5.3
311.99963	1.9
316.32526	1.9
317.24713	2.3
335.25781	100.0
539.49982	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2775
Annotation	Isochondrodendrine
Peak:m/z	Relative Intensity
53.03936	6.6
55.01870	14.9
55.05505	21.5
57.03439	9.3
57.07072	5.4
61.02913	5.2
63.69147	1.4
65.03916	3.2
67.05497	32.1
69.03427	22.0
69.07072	12.5
70.06570	1.8
71.04980	6.7
71.08627	18.0
71.73097	1.7
72.08146	4.1
73.02917	21.9
79.05492	20.3
81.03407	21.0
81.07047	41.0
83.04977	15.3
83.08612	12.8
84.08125	3.3
85.02904	20.6
85.06546	3.4
85.10160	5.2
91.03953	2.1
91.05465	24.9
93.07027	22.2
93.21404	1.6
95.04948	7.7
95.08595	23.3
97.02886	8.9
97.06524	7.5
97.10168	2.7
99.04447	9.1
99.08092	18.2
101.73287	1.6
105.07027	20.0
107.04939	3.5
107.08585	15.0
108.08160	1.6
109.02867	24.4
109.06509	5.2
109.10172	8.4
110.03648	5.1
111.04434	22.8
111.08064	18.5
113.09632	9.3
115.66863	1.4
117.07059	1.8
119.08574	15.6
121.02834	3.2
121.10137	15.2
123.08068	5.2
123.11700	3.7
125.09647	2.6
127.03912	13.5
127.11217	2.6
129.06934	3.4
131.08528	4.4
132.99574	9.5
133.10117	14.4
135.11700	7.5
137.09598	4.4
139.11150	7.5
143.08624	2.9
145.10118	6.3
147.11670	19.8
149.09651	3.6
149.13242	9.0
151.11179	11.0
157.10112	4.3
159.11653	3.6
161.13258	9.4
163.11176	7.2
165.12720	19.6
167.14311	2.5
171.11725	3.1
173.13184	2.7
175.11189	4.4
175.14830	2.1
179.14275	9.6
185.13318	2.2
191.00082	8.9
193.12247	2.2
203.14412	1.7
207.13782	2.6
221.15407	1.6
231.21152	3.6
241.19633	3.9
249.22128	5.3
259.20508	10.9
277.21609	100.0
287.05493	27.2
288.06036	2.0
294.05630	1.9
295.05936	3.9
295.22656	34.6
307.05847	2.3
308.06638	2.5
321.08008	1.8
325.06866	8.2
329.06384	2.0
337.06940	4.6
341.06461	2.2
351.08484	1.9
351.25284	25.1
353.06723	2.7
369.26331	19.8
379.08133	4.0
397.08932	3.0
403.08307	1.9
409.09213	3.9
421.08649	2.2
427.10150	4.6
439.10248	2.4
449.10779	2.3
457.11234	4.8
475.11920	1.7
481.11185	2.8
499.12418	2.5
523.12396	2.2
537.44977	1.8
541.13715	2.4
576.32935	1.7
577.26471	6.7
595.27002	16.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.219
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01793	3.6
66.89030	3.2
69.92369	6.6
69.92778	14.9
70.06572	27.7
94.93020	5.2
98.21032	11.0
99.23438	3.5
101.00891	7.0
108.04672	3.5
109.67046	4.0
114.89299	3.7
119.01909	13.0
120.94535	9.1
128.99135	3.6
131.01897	4.5
143.01909	7.5
145.03438	9.3
148.94017	8.5
155.01877	8.7
161.02924	10.5
165.64394	4.1
170.06596	11.6
173.02907	10.9
174.02838	6.1
182.18776	3.7
185.02911	27.3
192.92909	7.7
197.02994	11.1
198.06097	100.0
203.03989	4.3
210.06116	10.4
215.03931	6.5
216.07166	81.5
227.03951	6.0
228.07132	9.6
234.08160	12.4
240.07092	4.6
245.05031	66.5
252.95097	72.7
258.08212	38.6
263.06018	6.0
270.95163	5.3
275.06216	4.9
288.09305	10.3
305.07172	12.6
312.96146	7.8
318.10367	14.2
320.00317	4.2
335.08212	4.2
365.09537	13.9
480.15479	46.5
561.79468	3.8
584.48151	3.7
595.18536	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	595.2145
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63536	0.4
60.04556	0.5
69.03415	1.1
70.06583	3.3
71.75985	0.4
72.08141	1.4
83.28786	0.5
84.04478	0.6
84.08144	1.1
85.02894	1.4
86.09683	2.2
110.07158	0.6
116.07099	0.4
118.09362	0.4
120.08099	0.6
121.08349	0.4
129.10228	1.0
129.11089	0.5
131.04930	0.8
136.07532	0.5
137.02348	1.4
137.06015	1.3
157.18588	0.5
161.05942	0.5
165.01797	0.5
167.07077	0.5
175.03647	10.9
175.07600	0.6
181.04945	0.7
184.09113	0.5
188.04451	1.9
201.05200	0.5
202.06035	3.1
216.66237	0.5
219.06293	2.0
237.02783	0.5
283.05905	1.0
286.04922	0.7
287.05447	5.9
295.06082	1.3
297.07333	0.7
299.05493	2.8
300.06149	0.6
301.07181	1.3
311.05585	1.3
313.07013	0.8
323.05527	0.7
324.06393	0.7
325.07053	1.7
329.06555	2.8
337.06870	1.1
341.06738	0.8
351.08685	1.5
353.06573	1.5
367.08493	0.6
379.08124	2.2
385.12524	5.6
391.08127	0.6
395.07397	0.8
397.09219	2.0
399.14114	6.8
409.09387	0.7
415.10172	0.7
421.09406	0.8
433.11536	0.6
449.11343	1.2
457.11499	0.9
493.11172	0.5
497.10895	1.0
511.11911	0.7
523.12329	1.5
541.13361	1.5
559.14429	2.9
595.21484	100.0
596.21228	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1653
Annotation	Orientin 7-O-rhamnoside
Peak:m/z	Relative Intensity
55.01866	1.9
55.05497	1.4
57.03422	4.5
58.99566	1.6
62.07349	1.1
62.07838	0.9
65.03611	0.9
67.05485	2.0
68.99799	1.4
69.03419	2.4
69.07075	1.2
70.06577	3.4
71.02355	2.5
71.02683	1.0
71.04618	1.7
71.04989	29.6
72.08157	1.9
76.02206	2.2
79.05474	1.6
81.03390	1.2
81.07042	2.0
85.02898	26.6
87.04456	1.4
91.05460	1.2
93.07030	1.8
109.02893	1.1
111.02683	1.5
116.01650	2.3
116.07044	1.1
119.04935	1.4
121.02855	5.0
127.03934	1.0
129.05470	3.4
135.04390	4.2
137.02362	7.1
137.04163	1.0
153.01773	1.6
161.02310	1.7
162.02151	1.4
163.03914	2.9
165.01823	13.8
167.03342	2.3
177.01831	2.3
177.05486	1.1
179.03357	5.6
179.04883	2.8
181.04927	2.1
183.02876	5.5
187.03931	1.2
189.01906	2.4
191.03311	2.4
195.02904	3.2
203.03358	1.8
207.02876	2.9
217.04924	1.1
233.04233	1.7
268.07275	1.3
269.17468	1.2
270.17706	1.5
271.06082	1.3
283.06021	11.5
286.04764	1.8
287.05475	24.6
294.05402	2.0
295.06024	21.2
296.06689	1.1
297.04349	1.1
297.07532	13.5
299.05478	100.0
300.06116	8.3
301.06918	1.3
302.85721	1.0
307.05969	9.6
308.06802	3.0
309.07510	3.5
310.04803	2.7
311.05469	20.1
311.08853	2.0
312.06345	1.0
313.03442	2.1
313.07010	22.2
317.78333	1.2
319.05997	1.5
321.07632	8.0
323.05530	19.4
323.09106	1.6
324.06241	4.0
325.03543	1.4
325.06995	32.9
327.04907	7.0
327.08618	2.2
328.05771	1.1
329.06534	31.4
333.07748	1.3
335.05591	1.5
335.09088	3.6
337.06989	7.8
339.04901	8.4
339.08636	19.2
341.06470	7.4
345.06219	2.4
347.05368	1.2
349.07001	10.4
351.04843	5.6
351.08734	3.6
353.02676	1.3
353.06555	14.5
356.55399	1.1
357.05817	1.2
361.06897	4.0
363.08557	2.4
365.06595	1.3
367.08078	21.2
369.05981	8.6
373.07309	1.3
375.08646	1.6
377.06464	4.2
379.08154	6.1
385.09015	4.0
391.08130	7.9
395.07584	45.2
396.07993	1.7
397.09308	5.0
403.07907	2.8
409.09149	8.4
413.08643	77.9
419.07950	1.6
421.08859	3.5
427.10165	3.6
431.09717	81.8
437.08835	1.9
439.10394	5.3
445.09167	1.9
447.21463	4.0
448.21960	6.5
449.10748	26.6
455.09573	1.7
457.11426	7.0
463.09988	2.1
475.10620	2.9
481.11450	6.9
493.11139	4.2
499.11472	2.8
505.11249	3.6
511.12039	4.2
520.24017	1.8
523.12329	5.2
541.13232	7.6
548.69702	1.1
559.14478	7.2
595.16296	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	595.1654
Annotation	Orientin 7-O-rhamnoside
Peak:m/z	Relative Intensity
54.18071	1.5
57.03439	3.7
62.53734	1.7
69.03419	3.5
69.82923	10.9
71.04985	13.0
75.04475	1.8
81.03388	3.2
81.15102	1.4
85.02896	12.4
95.04970	1.8
98.20815	3.3
103.05536	1.6
105.03337	1.5
109.02889	2.0
111.04479	1.4
121.02819	7.0
133.02792	1.6
135.04396	4.1
137.02342	12.2
151.03830	3.4
153.01779	3.6
161.02321	3.1
163.03975	2.7
165.01831	3.7
167.03387	6.6
177.01808	2.9
179.03360	4.4
183.02875	3.1
189.01805	2.8
191.03432	1.7
195.02847	8.5
201.34419	1.5
203.03438	3.4
207.02896	3.1
217.04987	2.2
219.02905	1.8
221.04559	2.6
229.04927	1.9
231.02722	2.0
233.04434	3.1
234.59387	1.9
241.04803	1.9
243.02747	1.5
245.04532	3.0
255.06789	1.8
267.06500	2.1
271.05832	2.6
283.06003	16.5
286.04691	2.6
287.05484	31.7
294.05048	2.0
295.06027	24.1
296.06799	1.6
297.07486	6.8
299.05441	40.4
300.06262	10.3
301.06723	1.9
307.05939	17.0
308.06729	4.4
309.07608	5.9
310.04611	2.2
311.05496	22.4
312.06177	1.9
313.03763	2.3
313.07053	13.4
315.04822	11.5
315.07855	1.3
316.05710	6.7
321.07437	7.4
323.05478	19.4
323.08963	3.3
324.06204	4.1
325.03278	3.1
325.06964	20.7
327.04996	10.0
329.06519	100.0
333.07599	2.3
335.05493	3.5
335.09045	4.1
336.06235	2.2
337.07037	19.5
338.08069	1.8
339.05005	2.8
339.08786	4.4
341.06458	20.4
345.05927	19.6
347.09189	2.7
347.75763	1.7
349.07123	8.8
350.07700	2.2
351.05060	2.5
351.08673	11.2
352.05597	2.1
353.06488	17.8
355.08084	2.1
357.06082	5.0
361.07141	5.1
363.08597	8.5
365.06436	9.0
367.08228	11.0
369.05960	18.5
373.06949	2.3
375.08398	1.7
377.06274	3.6
379.08124	11.9
381.05676	2.4
381.10004	2.8
383.07413	2.6
385.08841	2.0
387.07291	2.4
391.08203	14.9
393.05801	2.1
395.07642	15.9
397.09171	11.5
403.08005	4.8
407.07480	5.8
409.09146	14.8
411.07120	5.4
413.08618	44.9
415.10114	4.3
419.07660	2.4
421.09122	6.5
425.08304	3.4
427.10074	5.1
429.08075	4.2
431.09702	32.3
433.10748	2.2
437.08734	9.7
439.10120	10.5
443.09393	4.4
445.09338	2.3
447.09244	10.6
448.22214	2.0
449.10782	55.9
455.09647	8.0
457.11215	6.9
463.10162	4.3
473.10214	3.4
475.10834	2.2
481.11343	13.1
487.10413	2.3
491.10184	4.0
493.11401	4.9
499.12051	4.3
505.11035	4.4
509.10739	11.2
511.12317	4.7
523.12189	9.2
527.11841	15.0
541.13373	15.8
545.12750	9.4
559.14191	12.4
577.15240	3.2
595.15967	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	595.1657
Annotation	Orientin 7-O-rhamnoside
Peak:m/z	Relative Intensity
55.05483	1.0
57.03418	1.5
57.83597	0.8
68.99791	1.0
69.03416	2.4
69.66388	5.8
70.06580	2.4
71.04977	4.5
75.89352	0.8
79.01850	2.0
81.03397	1.4
81.07032	1.3
85.02896	7.4
91.05486	0.8
93.03386	1.1
109.02866	0.9
121.02848	1.4
123.04405	0.9
129.06955	1.0
135.04408	2.8
137.02330	17.1
153.01791	1.6
163.03926	1.8
165.01831	2.7
167.07010	2.2
177.01790	1.9
179.03452	4.2
181.04913	1.0
183.02914	1.9
189.05496	1.3
191.03352	1.0
192.04280	1.8
195.02919	2.0
201.05542	1.0
207.02846	1.8
207.06493	2.6
217.04880	2.0
219.02957	0.9
221.04376	1.1
229.04953	3.7
233.04449	1.7
235.05998	2.1
243.06396	1.1
244.07115	1.1
249.07602	1.5
251.05489	1.3
259.05923	2.3
261.03961	1.4
271.05933	2.9
272.06769	5.4
277.07129	1.7
283.06027	2.0
284.06934	1.2
287.05502	23.9
295.05978	3.0
297.07550	2.1
299.05478	100.0
300.06241	33.6
301.06802	1.5
305.32770	1.0
307.06021	1.6
310.04678	1.8
311.05457	19.0
313.03485	2.6
313.06995	35.0
314.07510	1.4
315.04926	26.9
321.07697	1.3
323.05490	2.3
324.06262	3.0
325.06989	5.2
327.04999	23.8
327.08682	1.3
328.05740	5.2
329.06537	66.7
330.06726	1.6
331.04465	3.5
337.06970	1.8
339.04919	4.9
339.08658	8.3
340.05688	1.2
341.06470	9.9
345.05984	5.8
349.07007	1.3
351.08618	1.8
353.06384	7.8
357.05844	8.4
357.09451	1.1
358.06494	1.1
359.07520	9.5
367.08115	10.7
369.06146	3.5
379.08142	3.3
385.09146	19.5
387.07224	2.7
395.07611	26.6
397.09222	3.4
409.09207	1.9
413.08655	52.7
414.08911	1.4
421.08850	1.3
431.09708	60.4
432.09433	1.1
433.11136	1.4
449.10779	87.7
450.10873	2.8
457.11520	2.2
475.12418	1.3
541.12811	1.2
559.14288	1.6
577.15430	4.3
595.16455	37.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1645
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.9
57.03423	2.2
69.38339	19.1
85.02885	7.5
97.02863	2.0
103.03949	2.2
119.04930	10.0
121.02861	35.8
135.04445	2.2
145.02838	2.6
147.04356	3.6
163.03911	3.6
175.03928	1.9
176.01076	2.8
179.03294	2.9
181.05013	1.9
187.03896	2.4
189.01793	7.4
191.03371	8.5
195.02853	7.8
198.06131	4.3
201.01736	1.9
203.03416	10.9
207.02858	9.6
213.05405	2.1
216.07178	6.8
217.04965	4.8
219.02911	3.8
221.04417	3.8
229.04887	5.8
233.04526	4.4
245.04959	5.6
252.95045	2.9
252.97325	3.2
255.02908	2.0
257.04547	3.3
258.08276	2.2
267.06619	2.8
268.07196	7.4
279.06503	5.5
281.07980	5.7
283.06003	8.2
285.03729	2.1
287.05481	28.6
291.06400	2.8
293.07990	4.8
294.05219	22.8
295.05984	82.9
296.06665	7.6
297.07407	12.2
298.08261	2.0
304.06937	2.1
307.05984	54.1
308.06705	18.1
309.07422	14.0
313.07083	6.8
317.07913	1.8
319.05969	8.2
319.09421	2.3
320.06784	3.6
321.04129	3.1
321.07535	32.5
322.08249	12.5
323.05420	2.5
323.09073	3.6
325.07031	98.2
326.07397	3.2
332.06781	2.2
333.07422	10.1
333.44278	2.4
334.08441	2.0
335.05457	3.7
335.09125	14.6
336.06158	3.6
336.09985	2.5
337.07022	65.0
337.10992	3.6
345.07535	2.2
346.08469	2.0
347.09094	11.4
349.07013	31.1
351.04749	2.3
351.08569	21.5
355.08173	24.3
357.07678	2.2
358.07666	2.2
360.06219	2.7
361.07004	19.3
363.08578	6.2
365.10245	11.9
367.08011	4.9
373.06909	7.4
375.08575	12.2
379.08078	64.7
385.06992	3.4
389.10196	4.0
391.08084	34.7
403.08011	22.1
409.09174	50.5
413.10132	2.1
415.08295	2.2
417.09497	2.6
421.09128	24.1
427.10245	47.5
433.08954	4.6
439.10272	31.6
445.10608	8.8
457.11310	100.0
458.11118	2.6
463.10059	8.0
469.09094	2.6
475.12247	17.4
480.15405	2.3
481.11203	27.4
487.09897	4.2
493.11151	4.7
499.12354	22.6
505.11368	9.2
511.12317	24.4
523.12427	27.9
529.13153	12.5
541.13440	31.7
559.14349	24.8
577.15460	12.7
595.17163	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	595.1652
Annotation	Orientin 7-O-rhamnoside
Peak:m/z	Relative Intensity
56.14463	0.8
57.03443	4.2
59.06171	0.7
68.99807	0.9
70.06592	2.9
70.21886	1.7
70.22255	4.0
71.04986	24.4
72.08160	1.4
77.81303	0.7
85.02899	26.4
86.09689	2.6
93.28609	0.8
96.00690	0.8
120.08075	1.0
127.03876	1.2
129.05458	4.8
131.04875	0.9
135.04410	2.8
137.02292	5.4
137.05981	2.3
141.01852	1.9
147.06592	1.0
161.02342	1.6
161.05923	1.1
163.03854	1.2
165.01817	11.2
167.03381	2.1
167.07010	1.0
177.01816	0.9
179.03394	2.2
181.04932	1.0
183.02881	6.2
187.04048	0.8
189.01820	1.3
197.00737	0.9
271.06226	1.8
272.06708	1.0
283.06009	4.3
286.04828	1.4
287.05466	18.6
295.06036	3.2
297.07541	7.6
299.05478	100.0
300.06238	9.6
311.05539	15.6
311.08899	1.6
313.03409	3.5
313.07047	15.7
315.04840	5.7
321.07544	3.5
323.05447	10.2
324.06241	2.9
325.03485	1.3
325.07019	18.0
327.04929	6.7
327.08765	2.1
328.05618	1.9
329.06540	34.9
339.04895	6.4
339.08646	30.5
341.06552	3.3
349.07172	4.4
351.04993	2.7
351.08694	1.2
353.06525	9.0
357.05804	2.0
359.07629	1.2
367.08115	21.7
369.06116	3.7
377.06390	3.9
385.09186	4.3
387.06863	0.9
395.07596	55.1
400.31155	1.0
413.08640	85.4
431.09717	62.4
432.09991	1.1
449.10788	33.0
577.15741	1.4
595.16687	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	595.1651
Annotation	kaempferol-3-O-rutinoside
Peak:m/z	Relative Intensity
53.71369	0.2
54.05241	0.2
57.03421	0.6
68.99801	0.3
69.03410	0.2
70.16602	1.1
71.04610	0.3
71.04987	3.3
75.04492	0.2
85.02900	4.7
129.05499	1.2
135.04408	0.7
137.02321	0.3
153.01811	3.4
161.02309	0.5
171.02972	0.3
179.03278	0.3
220.63631	0.2
241.04869	0.3
283.06003	0.4
287.05478	100.0
288.05814	1.1
295.05862	0.5
299.05450	0.3
307.06122	0.3
311.05344	0.3
313.07074	0.3
325.07047	0.5
329.01074	0.2
329.06610	0.8
337.06888	0.3
353.06351	0.3
361.07245	0.4
379.08038	0.6
397.09131	1.0
439.10455	0.3
449.10776	12.0
457.60010	0.2
523.12512	0.4
541.13116	0.3
559.14008	0.7
595.15778	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.165
Annotation	Vitexin 4'-O-glucoside
Peak:m/z	Relative Intensity
51.58057	0.6
53.03925	1.0
55.01860	0.6
57.03427	2.0
61.02908	2.4
68.99801	1.1
69.03425	14.0
69.78327	3.7
69.78754	1.1
71.04974	1.4
72.33686	0.6
81.03392	2.3
85.02896	16.0
86.09702	0.7
87.04480	0.6
97.02892	4.8
99.04442	0.9
107.04929	0.7
109.02858	2.4
111.04428	0.9
121.02869	0.7
127.03893	3.2
135.04402	2.2
137.02328	6.1
141.01826	0.8
145.04922	2.5
149.02342	1.5
153.01816	0.9
161.02341	2.4
165.01822	4.4
167.03391	3.8
171.76996	0.7
175.03851	0.6
177.01845	1.0
179.03400	2.3
183.02884	2.7
189.05446	0.7
191.03456	0.9
195.02876	2.7
203.03337	1.5
217.04947	1.4
227.03239	0.7
245.04483	2.0
255.06474	1.8
272.06763	0.8
283.05988	7.9
286.04730	4.0
287.05457	5.1
295.06046	1.5
297.07492	4.1
299.05466	33.7
300.06259	10.0
309.07568	0.9
310.04730	1.5
311.02124	1.0
311.05502	11.8
313.03619	1.3
313.07043	4.6
323.05579	1.8
323.09152	2.2
324.06070	0.7
325.03284	1.3
325.07056	16.3
327.08655	2.2
329.06531	100.0
329.72037	0.7
330.06842	1.5
335.09106	1.4
336.06226	1.0
337.07086	5.9
339.04953	0.8
351.08597	11.2
353.06540	25.4
355.08176	1.3
361.06924	2.2
379.08090	31.9
381.09659	1.0
395.14166	0.7
397.09161	59.9
413.92206	0.7
415.10178	12.9
433.11292	4.9
461.10886	1.9
481.11182	1.2
491.11826	7.6
515.11865	6.5
541.13489	1.4
559.14429	26.9
577.15399	5.2
595.16150	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	595.1651
Annotation	Vitexin 4'-O-glucoside
Peak:m/z	Relative Intensity
57.03404	1.6
68.99765	1.4
69.03423	11.6
70.09029	1.3
70.09441	2.0
71.04673	0.6
71.04978	6.1
76.55279	0.7
81.03383	1.6
85.02467	0.7
85.02901	9.8
87.04441	0.8
95.04936	0.6
97.02871	0.9
98.20790	0.7
109.02804	0.9
111.04384	1.3
121.02818	1.7
127.03864	1.1
129.05449	1.3
135.04396	2.9
137.02332	8.9
141.01727	0.8
149.02290	0.9
153.01768	1.0
161.02306	3.3
163.03862	2.1
165.01833	6.2
167.03435	3.0
175.03893	0.6
177.01781	1.5
179.03348	2.7
181.05017	0.6
183.02887	3.1
191.03386	0.9
195.02907	1.5
201.05334	0.7
203.03311	1.6
217.04927	1.9
221.04503	1.0
227.03406	1.0
243.06483	1.2
245.04448	2.5
255.06583	0.9
271.06165	0.8
272.06772	0.6
283.06015	8.2
286.04724	4.9
287.05472	29.4
289.03384	1.2
293.22699	0.6
295.06012	1.9
297.07526	6.9
299.05472	50.6
300.06241	8.9
301.06906	0.7
307.05533	0.6
309.07553	1.0
310.04568	2.2
310.08551	0.6
311.05447	13.5
311.08749	1.2
312.20145	0.6
313.03516	1.5
313.06903	6.5
323.05432	2.2
323.09192	1.7
325.03445	1.3
325.07004	23.0
325.10861	1.1
327.08432	3.5
329.06525	91.9
330.06763	1.5
333.07651	1.1
335.08905	1.5
337.07047	7.9
339.04764	1.5
339.08670	2.3
341.06409	1.3
347.19186	0.6
349.07159	1.0
351.08585	13.9
353.06525	46.3
354.06757	0.8
355.08093	3.1
361.07025	3.7
365.06668	1.4
367.08228	1.1
373.06223	0.7
377.06506	1.1
379.08084	43.5
383.07364	3.7
395.07373	3.1
397.09143	100.0
398.09424	1.1
409.09430	0.8
413.08716	4.2
415.10205	24.5
427.10190	1.1
430.06775	0.8
431.09717	6.2
433.11249	14.7
439.10046	0.7
449.10834	14.1
457.11154	1.3
475.12048	0.9
491.11887	1.7
511.13010	0.8
515.11743	1.1
523.11975	0.7
541.13531	1.9
559.14221	3.7
577.15802	1.7
595.16449	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1651
Annotation	3,8-Di-C-glucopyranosylapigenin
Peak:m/z	Relative Intensity
51.77046	1.5
56.11464	1.5
57.03408	2.0
57.13853	1.4
61.02905	2.5
61.63918	1.5
64.03093	1.6
69.03420	14.7
71.49475	3.2
75.53865	1.5
85.02902	2.6
93.03402	2.3
107.04962	1.7
109.02882	3.3
111.04416	1.6
116.52888	1.6
135.04407	8.6
137.02330	28.2
161.02376	5.8
163.03888	1.9
165.01834	2.4
173.06041	1.8
175.03937	2.0
179.03363	3.6
189.01830	5.7
191.03357	6.0
195.02905	7.2
201.01859	2.7
203.03354	10.6
203.37238	1.6
205.04938	3.0
207.02823	7.8
215.03276	3.1
217.04971	3.7
217.32784	1.5
219.02893	6.1
221.04488	5.6
229.04941	4.6
239.03601	1.8
245.04494	2.1
255.03380	2.0
257.04279	3.0
283.06073	5.6
284.06735	5.1
295.05948	5.0
296.06808	3.1
297.07614	5.3
299.05493	10.4
300.06387	2.5
307.06073	2.8
309.07428	3.9
310.04688	17.2
311.05457	53.1
312.06219	5.6
313.06992	7.7
323.05444	47.3
324.06204	15.0
325.07040	16.1
329.06512	15.2
335.05432	4.6
336.06122	2.5
337.07031	28.9
338.07825	12.1
339.04910	2.2
339.08582	4.8
341.06503	100.0
347.09076	3.0
349.06961	7.4
350.07596	2.4
351.04764	4.0
351.08649	9.7
352.05591	3.1
353.06531	64.6
353.09827	2.3
355.08133	2.5
361.07050	3.0
363.04797	2.4
363.08710	13.9
365.06522	29.2
365.10602	3.6
367.08105	25.4
371.07678	20.1
373.06973	3.1
377.06421	12.2
379.08197	7.4
381.05869	1.9
381.09760	14.4
383.07523	6.0
389.06458	2.7
390.07394	1.7
391.08096	22.4
393.09738	3.8
395.07532	49.9
397.09152	9.2
401.06464	5.0
403.08237	1.8
407.07535	16.5
409.09128	30.6
415.10202	3.8
417.09866	2.4
419.07568	20.3
421.09250	9.7
425.08691	32.2
427.10196	49.7
431.10388	4.9
433.11148	3.0
437.08640	27.1
439.10110	6.8
445.11084	7.0
449.08694	2.4
455.09708	27.3
457.11346	26.9
461.08713	3.5
463.10229	11.6
473.10757	57.9
475.12311	18.6
481.11243	33.1
482.10623	2.0
487.10226	6.4
493.11380	3.3
499.12332	22.7
505.10846	10.8
511.12372	23.7
523.12286	28.4
529.13135	12.0
541.13385	32.8
559.14404	25.8
577.15411	10.1
595.16272	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1649
Annotation	Vicenin-2
Peak:m/z	Relative Intensity
57.03438	2.2
61.02919	2.4
71.12292	1.8
71.12616	2.6
73.02888	1.6
81.03408	2.1
82.60319	1.4
85.02901	8.1
91.05467	1.4
93.03372	1.5
103.03928	2.8
107.04945	2.4
109.02868	2.5
119.04935	8.0
121.02858	35.9
128.37076	1.4
145.02852	5.5
151.03853	1.8
159.04422	1.8
163.03802	1.5
165.01807	2.1
171.04407	2.1
176.00883	1.5
177.01880	4.0
179.03375	2.8
187.03894	2.7
189.01895	9.0
190.02565	1.6
191.03389	6.5
195.02859	7.8
199.03856	2.3
201.01834	1.8
203.03395	9.1
205.04987	2.0
207.02866	7.7
215.03409	3.1
217.04956	5.3
219.02853	7.2
221.04474	3.4
227.03497	1.9
229.04944	3.2
233.04317	3.5
243.02913	2.3
251.06985	2.0
257.04218	1.9
261.03928	2.0
267.06516	3.1
268.07294	5.7
279.06570	5.2
280.07141	3.1
281.07996	4.7
283.06012	9.2
284.06839	2.0
285.03983	2.2
291.06625	2.1
293.08069	3.4
294.05219	24.1
294.38974	1.3
295.06003	88.4
296.06760	8.9
297.07608	10.5
307.05975	53.8
308.06726	15.5
309.07507	15.6
313.07108	5.3
319.06091	8.2
320.06729	4.4
321.07523	31.7
322.08319	11.0
323.05478	3.6
323.09171	5.9
325.07019	100.0
326.07388	2.4
329.08231	1.8
330.09067	2.0
333.07574	8.8
335.05350	1.8
335.09052	18.0
336.06226	3.0
337.07050	60.7
338.07401	2.7
339.08530	1.9
345.07639	3.5
347.09003	13.2
349.07043	35.0
350.07455	1.8
351.08621	25.5
351.27063	1.4
353.06360	3.4
355.08157	23.8
357.07379	3.0
361.06989	18.9
361.10715	2.1
363.08667	8.7
365.06195	2.5
365.10150	13.6
367.08072	5.4
373.07022	8.0
375.08594	11.9
379.08105	58.6
385.06818	3.5
387.08636	2.9
389.10336	3.5
391.08047	29.8
393.09827	2.1
403.08096	26.7
409.09134	44.6
415.08374	2.4
417.09329	2.6
421.09216	30.8
427.10291	43.1
433.09314	3.1
435.10428	1.8
439.10303	30.4
445.10178	4.7
457.11264	86.3
463.10104	7.4
475.12183	15.1
481.11282	24.6
487.10004	2.9
493.10980	2.5
499.12442	17.4
505.11230	7.9
511.12366	21.3
523.12323	22.0
529.13641	8.3
541.13391	25.8
559.14410	19.3
577.15784	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	595.0883
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87868	0.6
57.30013	0.7
57.39778	0.7
69.78968	4.2
148.96109	4.8
183.34534	0.6
184.97261	0.8
185.04166	1.3
193.09721	0.7
203.05257	3.0
208.97015	1.9
212.07339	1.0
226.98071	1.7
234.96077	1.2
252.97202	100.0
288.98334	1.5
311.00067	0.9
312.98032	19.7
324.98047	8.3
342.99039	1.6
365.10468	13.4
373.00128	2.1
381.07950	2.6
385.00510	0.8
415.01392	2.7
534.65192	0.9
595.17682	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.0883
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87868	0.6
57.30013	0.7
57.39778	0.7
69.78968	4.2
148.96109	4.8
183.34534	0.6
184.97261	0.8
185.04166	1.3
193.09721	0.7
203.05257	3.0
208.97015	1.9
212.07339	1.0
226.98071	1.7
234.96077	1.2
252.97202	100.0
288.98334	1.5
311.00067	0.9
312.98032	19.7
324.98047	8.3
342.99039	1.6
365.10468	13.4
373.00128	2.1
381.07950	2.6
385.00510	0.8
415.01392	2.7
534.65192	0.9
595.17682	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.0883
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87868	0.6
57.30013	0.7
57.39778	0.7
69.78968	4.2
148.96109	4.8
183.34534	0.6
184.97261	0.8
185.04166	1.3
193.09721	0.7
203.05257	3.0
208.97015	1.9
212.07339	1.0
226.98071	1.7
234.96077	1.2
252.97202	100.0
288.98334	1.5
311.00067	0.9
312.98032	19.7
324.98047	8.3
342.99039	1.6
365.10468	13.4
373.00128	2.1
381.07950	2.6
385.00510	0.8
415.01392	2.7
534.65192	0.9
595.17682	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2754
Annotation	Pheophorbide a
Peak:m/z	Relative Intensity
59.48135	0.3
60.81872	0.4
70.81313	1.0
70.81679	0.7
99.57427	0.4
138.25589	0.3
146.70818	0.4
148.36707	0.4
223.12321	0.4
352.31656	0.4
387.15939	0.5
388.16953	0.6
389.17590	0.6
402.18369	0.9
403.19086	3.3
404.20276	0.8
405.20816	1.4
415.19427	0.6
416.20221	0.9
417.16254	0.9
417.21460	3.6
418.21576	1.1
419.22546	3.7
430.17770	0.9
431.18176	8.1
432.18530	2.0
433.24277	5.8
434.24625	1.6
444.19577	0.7
445.19885	9.6
446.20709	4.5
447.21661	6.0
447.27234	0.4
459.21719	3.3
460.22586	10.7
461.23328	10.2
463.21509	0.7
473.23840	1.9
474.23962	0.8
476.25961	0.8
477.22339	0.8
487.24857	1.4
489.26501	0.9
491.24237	1.1
492.25247	1.0
505.21844	5.6
515.24377	0.5
519.23914	1.1
533.25458	26.1
534.25793	1.7
565.28302	0.7
593.27533	100.0
594.27527	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	593.275
Annotation	Unknow
Peak:m/z	Relative Intensity
56.22166	0.4
69.95770	1.7
72.78832	0.4
98.21480	0.5
109.77862	0.4
236.28539	0.5
237.13838	0.4
267.69647	0.4
388.16718	0.7
389.17657	1.7
402.18515	1.4
403.19272	2.9
404.20123	1.3
405.20816	1.3
415.19104	0.6
416.20551	0.9
417.21332	3.6
418.21790	1.9
419.22479	3.8
430.17545	1.1
431.18161	8.5
432.18961	2.4
433.24045	9.6
434.24399	2.0
444.19244	0.5
445.19913	10.3
446.20877	5.3
447.21664	6.0
447.26453	0.5
459.21326	4.1
460.22485	15.4
461.23285	15.5
462.23840	1.5
473.23630	3.2
474.24109	0.8
476.25891	2.0
477.26740	1.1
487.25076	1.0
489.26611	0.8
491.24762	0.9
492.25259	1.6
504.23810	0.5
505.21759	6.0
515.24811	1.0
518.23212	0.7
519.23792	0.7
521.21918	0.5
533.25427	54.1
534.25903	3.6
564.23352	0.6
565.28070	1.0
593.27527	100.0
594.27875	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	593.2619
Annotation	Tiliacorinine 2'-N-oxide
Peak:m/z	Relative Intensity
53.03936	9.1
55.01865	18.9
55.05510	23.7
57.03431	12.4
61.02915	3.8
65.03922	4.8
67.05495	48.0
69.03418	28.3
69.07055	29.5
70.06596	2.8
70.24044	10.1
71.04983	6.5
72.08119	2.2
73.02906	23.1
78.04649	2.0
79.05484	40.7
79.10556	2.0
81.03407	23.8
81.07045	88.1
83.04979	12.6
83.08620	16.6
84.08146	3.2
85.02885	18.1
85.06531	3.8
90.14982	2.2
91.05455	33.4
93.03373	2.3
93.07033	34.5
94.38472	1.9
94.60520	2.3
95.04957	13.9
95.08587	33.9
97.02870	10.0
97.06519	16.0
97.10154	3.7
98.98449	5.0
99.04449	9.8
99.08070	6.4
105.07013	34.6
107.04939	11.3
107.08577	23.1
109.02870	30.5
109.03554	3.5
109.06515	20.1
109.10155	17.3
110.03643	3.4
111.04431	24.7
111.08057	10.6
113.09624	3.1
115.03973	2.4
117.06994	7.4
119.08552	30.6
121.06506	6.0
121.10143	17.7
121.68425	1.9
123.04423	2.6
123.08059	9.1
123.11710	8.3
125.09576	3.6
127.03913	13.6
129.06982	4.8
131.08560	18.4
132.99521	10.6
133.06520	2.8
133.10121	27.3
135.08031	6.6
135.11694	7.0
137.02281	2.8
137.06020	4.0
137.09613	6.0
137.13228	2.1
139.11293	3.2
143.08530	3.3
145.10110	15.0
146.58591	2.0
147.08046	3.7
147.11664	30.2
149.09607	14.3
149.13246	13.7
151.00696	2.2
155.01108	3.2
155.08490	2.8
157.10114	4.0
159.11678	14.6
161.09636	5.3
161.13237	4.3
163.11169	9.3
165.09055	2.1
165.12772	13.4
171.11679	4.9
172.99081	2.7
173.13257	7.4
175.11142	6.6
177.12772	7.1
179.14250	3.4
183.11603	2.2
185.13210	2.9
187.11157	3.7
191.00087	11.8
193.12129	2.4
195.13870	3.4
197.13170	2.1
201.12726	3.9
207.13756	3.9
209.01035	2.5
215.18077	2.0
229.19539	5.0
239.17902	3.1
247.20627	5.3
257.19046	11.5
275.20032	100.0
275.23044	4.8
276.20477	3.2
277.21603	13.2
285.16916	2.5
289.05322	3.5
293.21100	35.6
311.05545	2.7
338.62967	2.2
349.19504	4.6
349.23691	38.0
350.24164	2.6
351.25385	14.8
353.06418	2.3
366.25388	2.3
367.24768	24.0
472.17856	2.3
503.58612	2.6
575.24957	9.7
593.25354	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	593.186
Annotation	Flavocummelin
Peak:m/z	Relative Intensity
55.05502	2.7
57.03421	4.2
67.05492	2.6
69.03429	13.3
70.06567	4.3
71.04982	33.3
71.10448	3.1
72.08134	1.6
73.02934	1.7
79.05461	2.1
81.03402	2.1
81.07027	3.0
82.65892	1.0
83.04964	2.7
84.08118	2.5
85.02895	37.1
86.09688	2.5
93.07018	3.1
95.04919	1.6
95.08582	2.1
97.02879	2.0
105.07001	2.5
107.08527	1.0
109.02872	2.1
109.06506	1.3
109.10106	1.4
111.04399	2.3
129.05460	4.9
129.10103	1.0
131.04907	1.8
133.10164	1.1
135.04366	2.1
135.08029	1.5
137.02283	3.6
137.05919	2.0
147.06543	1.2
149.05949	2.3
151.03870	8.8
159.11655	0.9
163.03877	1.3
165.01799	4.8
167.03386	2.7
175.03957	1.6
183.02913	2.2
191.03294	1.2
193.04942	1.8
195.02832	2.7
207.02866	1.3
217.04985	2.3
221.04388	1.3
229.04959	1.2
243.06416	1.3
245.04202	1.5
259.06036	1.6
263.05490	1.0
267.06497	5.9
270.05243	1.5
271.06021	3.1
282.05273	5.2
284.06628	1.4
286.04684	1.5
296.06842	8.2
297.07611	5.3
298.04773	11.0
299.05524	7.6
300.06058	6.2
301.07077	5.8
303.04907	1.3
308.06641	1.6
309.07532	1.2
310.04712	5.3
311.05414	9.9
311.09024	3.9
312.06271	3.8
313.03397	2.4
313.06998	42.2
314.07800	6.6
315.05026	1.9
322.08356	3.8
323.05316	5.5
324.06235	12.5
325.07025	10.3
327.05157	2.4
327.08615	6.4
328.05750	20.0
329.06622	8.0
332.06763	1.5
335.05142	1.3
336.06107	4.1
337.06967	2.8
337.10614	1.3
338.04376	1.4
339.04855	2.4
339.08603	15.0
341.06445	5.8
341.10129	3.6
343.08090	95.5
349.10446	1.5
350.07773	15.8
351.08545	8.8
353.06516	4.6
355.07739	2.3
363.08301	1.3
365.06348	1.7
365.10245	15.1
367.08090	42.8
369.09631	3.1
375.08701	1.4
378.07303	12.5
379.08206	2.2
383.11285	1.4
393.09677	40.1
395.07428	2.2
407.07263	2.8
411.10721	100.0
412.10861	2.2
425.08652	2.7
429.06308	2.1
429.11826	32.6
437.08664	3.9
443.09286	1.7
447.13077	61.1
455.09833	2.2
473.10739	1.4
521.10693	2.3
539.11786	4.7
557.12659	5.7
593.15131	2.6
593.30432	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	593.186
Annotation	Flavocummelin
Peak:m/z	Relative Intensity
53.03926	1.1
55.01844	1.8
55.05497	1.7
57.03425	5.4
61.02924	2.4
62.12762	0.8
67.05490	2.9
69.03424	15.5
69.07067	2.5
70.06580	4.7
71.04985	31.8
71.23460	1.5
71.23795	1.1
71.53939	0.9
72.08128	1.7
73.02921	1.7
79.05460	2.7
79.14527	1.0
81.03395	2.7
81.07058	6.8
83.04989	2.1
84.04508	1.0
84.08121	1.5
85.02898	33.0
85.06532	1.2
86.09705	1.7
87.04446	1.7
91.05460	3.6
93.07018	3.4
95.04961	1.1
95.08594	3.8
97.02869	3.8
97.06525	1.4
99.04434	1.3
99.08076	1.3
105.07014	3.6
107.04934	2.1
107.08572	2.9
109.02852	2.4
109.10146	2.8
111.04442	1.9
119.08542	1.8
121.02852	2.3
121.06503	1.2
121.10155	1.7
123.08017	1.0
123.11684	1.6
127.03889	2.3
128.48709	0.9
129.05464	5.5
131.04921	1.0
131.08548	1.2
133.06479	2.7
133.10115	2.1
135.04399	1.4
135.11705	1.5
137.02348	1.6
137.05949	2.4
145.10043	1.6
149.05939	2.0
149.13272	1.8
151.03896	10.0
151.07460	1.6
153.05377	1.2
157.10068	1.1
159.11613	1.3
163.03888	1.6
165.01837	4.2
167.03346	1.8
167.07042	2.0
175.03952	1.7
175.07591	1.1
183.02864	1.9
191.03404	1.1
195.02919	1.9
195.13850	1.1
201.05511	1.2
203.03397	1.2
215.44670	1.0
217.04997	2.1
221.04507	1.0
234.20842	1.0
245.04225	1.2
256.10031	1.1
259.05994	1.2
269.17468	4.6
270.05240	1.8
271.05966	3.4
282.05273	3.2
283.06061	5.6
284.06741	3.6
286.04608	1.3
291.12234	2.0
295.05939	1.5
296.06784	14.0
297.07431	5.8
298.04742	9.2
299.05420	9.6
300.06165	6.0
301.06894	6.0
308.06729	1.3
309.07504	1.4
310.04660	4.7
311.05450	5.2
311.09131	6.9
312.06097	2.2
313.07034	52.8
314.07690	5.5
315.04852	2.0
322.08264	3.9
323.05399	2.1
324.02499	1.2
324.06229	19.1
325.07013	12.0
326.07980	1.0
327.04932	2.5
327.08640	5.6
328.05710	15.3
329.06424	3.4
334.08374	1.3
336.06189	3.2
337.06866	2.1
338.07559	1.1
339.05011	1.5
339.08588	25.4
341.06393	2.0
341.10150	3.6
343.08090	74.0
344.08212	1.4
349.10736	1.7
350.07828	11.2
351.08600	6.7
352.05655	2.0
353.06549	3.5
355.07932	2.4
360.06015	1.5
365.10162	13.9
367.08096	77.1
368.08435	2.1
369.09592	3.2
375.08603	1.8
378.07263	10.8
379.07919	1.5
385.09280	1.3
393.09659	44.4
394.09793	1.7
395.07425	1.4
397.09091	1.4
411.10715	87.7
412.11005	1.3
413.08432	2.6
415.10059	2.2
429.11816	31.1
429.17630	1.6
431.09552	3.0
447.12878	100.0
448.13428	1.8
455.09421	1.4
497.10709	1.2
557.13867	1.0
575.24316	1.2
593.17462	2.1
593.35944	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	593.1498
Annotation	Unknow
Peak:m/z	Relative Intensity
56.75521	2.4
57.03421	6.5
70.06577	2.9
70.15135	11.4
81.03397	2.7
85.02883	6.3
89.32883	2.1
93.03375	3.0
98.20821	2.6
104.03321	2.4
107.04924	6.0
109.02869	4.6
123.04413	2.5
127.56921	2.3
135.04367	13.8
137.02321	39.9
161.02325	8.3
163.03896	3.4
165.01892	3.0
177.01854	5.1
177.05460	2.8
179.03351	7.3
182.18126	2.3
187.03891	3.2
189.01843	10.2
190.02574	2.3
191.03386	8.3
195.02881	14.0
199.03975	3.7
201.01903	2.4
201.05447	2.5
203.03333	15.8
205.01335	2.8
205.04942	4.4
207.02882	12.0
209.04431	2.6
215.03304	3.1
217.04912	6.3
219.02902	8.6
221.04436	6.3
223.02260	3.0
227.03348	2.7
229.04938	6.5
233.04486	3.1
241.05025	2.3
243.02763	2.6
247.02113	2.3
255.02908	4.1
268.07675	2.7
282.09085	2.4
283.05807	3.5
284.06784	3.5
295.06067	9.0
296.06747	3.0
297.07785	4.1
299.05487	22.8
300.06561	3.0
307.06311	2.7
308.06625	3.6
309.07486	9.0
310.04675	22.3
311.05478	100.0
312.06155	11.2
313.07059	19.3
319.05804	2.3
323.05493	71.0
324.06213	23.7
325.03442	3.6
325.06970	40.7
327.05035	6.1
329.06439	8.3
333.07376	2.5
335.05521	8.1
335.09225	3.9
336.06219	6.6
337.07059	46.8
338.07724	12.7
339.04871	10.3
339.08643	7.6
341.06528	82.0
342.07159	4.0
349.07147	10.9
351.04858	7.7
351.08643	24.0
352.05829	6.4
353.06549	71.2
355.07938	3.3
357.05923	3.4
363.08765	13.8
365.06519	32.9
366.07278	3.5
367.04303	3.5
367.08145	17.0
367.23099	3.3
369.06110	11.4
371.07632	5.0
377.06476	18.9
379.08154	23.3
381.05658	19.4
381.09888	8.1
383.07507	4.3
389.06427	7.9
391.08109	15.3
393.05905	8.5
393.10254	3.5
395.07581	30.8
397.09241	4.2
401.06094	3.5
405.10065	5.2
407.07593	37.2
409.09149	7.8
411.06860	7.1
413.08578	8.0
419.07605	18.1
421.09229	4.9
423.07205	4.5
425.08652	47.6
431.09521	5.3
433.09012	4.1
435.06946	6.2
437.08606	27.6
443.09781	28.2
451.10037	3.3
453.07840	3.9
455.09723	54.2
459.06699	2.8
461.08655	3.0
473.10767	40.2
477.08011	3.1
479.09692	14.5
491.09424	5.5
495.09189	3.8
497.10815	51.7
503.09482	6.1
509.10648	17.1
511.12601	3.4
513.10321	3.2
521.10797	21.6
527.11731	21.2
531.10870	3.4
539.11804	30.4
557.12830	50.8
575.13977	30.3
577.43567	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1496
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03422	3.3
65.03908	2.1
69.03410	1.9
70.06589	9.4
70.41925	6.1
72.08163	3.1
81.03429	4.4
83.01347	1.8
84.08128	1.6
85.02904	8.4
86.09710	2.0
87.04466	1.6
103.05477	2.4
106.43244	1.6
107.04967	3.6
107.50449	1.6
109.02857	4.5
115.05441	2.3
120.08106	3.2
127.03827	2.4
131.04909	6.8
133.02852	5.4
133.06485	2.1
135.04382	11.1
137.02333	32.3
137.03358	3.0
137.05977	7.2
147.04504	2.4
161.02374	5.5
161.05928	2.3
163.07509	1.8
165.01849	3.7
167.03416	2.4
177.01834	2.3
179.03374	5.0
189.01779	10.1
191.03380	6.0
195.02888	14.6
197.04485	2.1
199.03954	2.2
203.03355	15.1
207.02827	10.8
209.04436	1.8
217.04901	8.2
219.02837	3.8
221.04510	5.6
227.03355	4.6
229.05031	4.5
231.02940	2.3
233.04637	2.2
235.05870	2.0
243.02740	2.3
243.06525	2.0
245.04359	3.1
255.02960	3.7
257.04480	2.3
273.04053	4.3
281.08258	2.0
283.05942	3.6
284.06793	4.8
295.06055	6.2
296.06873	3.0
297.07434	4.4
299.05560	22.6
300.06107	3.9
309.07312	3.7
310.04675	14.3
311.05472	100.0
312.06033	10.6
313.07025	21.5
314.07629	1.9
319.90353	1.7
323.05490	80.3
324.06207	17.1
325.06995	21.1
328.05667	3.9
329.06522	7.2
333.07437	4.3
335.05435	10.7
336.06232	7.7
337.07010	39.0
338.04010	3.5
338.07724	7.8
339.04883	8.7
339.08807	4.3
340.05765	5.6
341.06500	72.1
342.07281	4.4
345.07706	2.4
349.06802	8.6
350.04001	2.6
350.07996	3.3
351.04926	7.4
351.08652	26.0
352.05597	8.2
353.06537	50.4
361.07001	7.0
363.04807	3.8
363.08710	10.0
365.06519	33.7
365.10580	2.6
366.07220	3.0
367.08228	14.3
369.05911	11.3
376.05597	2.3
377.06458	17.7
379.08194	22.8
381.05954	6.1
381.09729	4.7
383.07590	5.5
389.06528	10.8
391.08072	12.2
393.05881	9.3
394.06665	5.9
395.07495	25.1
401.06473	6.6
405.05200	3.0
405.09848	3.7
407.07584	47.5
408.08472	2.4
409.09192	7.7
411.07004	3.2
413.11523	2.6
419.07477	16.9
423.07047	4.9
425.08649	65.0
431.08594	2.7
435.07095	4.9
437.08707	22.7
443.09729	32.1
449.08551	2.1
451.10254	2.0
453.08371	3.8
455.09781	33.7
457.08905	2.1
461.09097	2.5
467.09995	1.9
472.09729	3.2
473.10800	45.7
479.09711	15.1
491.09619	10.9
497.10751	68.4
503.09827	7.5
509.10797	27.7
521.10840	20.9
527.11743	22.4
539.11731	30.9
555.71814	2.0
557.12860	45.4
575.14008	25.1
593.14728	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1495
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03420	2.9
57.71341	1.8
61.02941	2.7
67.77280	1.7
69.03397	2.6
69.95888	2.5
69.96171	11.7
70.06575	4.9
81.03407	3.2
84.08155	3.2
85.02898	3.6
93.03388	2.0
107.04954	3.6
107.20742	1.9
107.38386	2.1
109.02870	4.5
120.08089	5.1
131.04916	2.2
135.04413	9.7
137.02327	32.6
161.02316	4.1
165.01878	2.4
167.94894	1.9
173.02371	2.3
175.03888	2.1
177.01825	4.2
179.03366	3.8
189.01833	7.3
191.03412	4.2
195.02837	12.5
199.03879	3.2
201.05435	2.2
203.03354	14.2
205.01308	11.1
205.04831	2.0
207.02826	12.3
213.01855	2.1
215.03471	4.6
217.04974	7.5
219.02913	4.2
221.04512	5.4
223.02376	3.6
227.03383	5.0
229.04915	3.9
231.02850	3.0
233.04349	2.7
235.02383	3.5
235.05963	2.4
247.02319	2.8
255.02867	6.5
257.04587	2.0
267.06512	2.6
270.05093	2.9
273.03931	3.3
282.05264	3.7
283.02429	2.9
283.05905	2.9
284.06870	4.7
285.07495	2.0
295.06012	7.7
297.07642	2.9
298.05023	2.2
299.05569	13.0
307.06195	2.5
308.06726	2.2
309.07483	4.3
310.04776	11.4
311.05463	100.0
312.06223	5.4
313.07047	7.7
323.05472	31.4
324.06302	8.0
325.03391	10.1
325.07053	24.8
326.04111	18.5
327.04947	7.7
329.06531	4.3
333.07684	3.3
335.05280	2.7
336.06195	5.6
337.06995	30.2
338.04416	4.0
338.07788	5.0
339.04965	98.8
339.08490	5.4
340.05576	7.4
341.06525	37.7
347.05435	3.0
349.06870	6.5
351.04910	12.8
351.08688	20.9
352.05753	3.3
353.06494	30.7
357.06140	3.1
361.07129	6.7
363.08594	8.8
365.06552	29.5
367.04300	5.1
367.08194	6.8
368.05188	2.8
369.06018	63.1
377.06378	15.5
379.08069	25.5
381.06015	14.2
381.10205	3.3
389.06491	7.4
391.04291	7.0
391.08200	7.0
393.06046	22.0
395.07681	10.9
397.05267	3.7
399.06961	2.6
403.08231	2.4
405.05835	4.9
407.07565	21.8
411.07059	4.6
417.05731	8.9
419.07684	5.5
423.07037	50.8
425.08603	24.8
431.09256	2.5
433.09348	2.9
435.06873	15.6
437.08841	10.5
443.09637	43.1
447.06799	2.5
453.07999	11.8
455.09729	26.3
465.08633	2.1
471.09537	3.0
473.10718	51.8
475.10205	2.8
477.07990	2.8
479.09897	8.8
497.10727	88.4
498.10809	5.1
503.09668	7.0
509.10803	14.7
521.10925	18.0
527.11780	32.6
539.11774	30.2
557.12891	59.4
558.12726	2.8
575.14093	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	591.4978
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03918	2.3
55.05503	21.4
55.57940	1.9
57.03434	16.4
57.07073	57.5
62.88982	2.2
64.22997	2.0
67.05499	86.9
69.07056	24.3
70.95990	6.4
71.04980	3.1
71.08626	40.7
73.39690	2.2
77.43552	2.0
79.05488	48.3
80.79185	2.0
81.07050	95.9
82.80019	2.1
83.08614	21.5
85.06544	2.4
85.10161	23.3
88.15604	2.3
89.06013	3.7
91.05458	17.1
93.07034	63.3
95.04938	6.1
95.08599	89.2
97.06517	3.4
97.10168	12.1
105.07025	17.5
107.08592	37.3
107.27264	2.3
109.10144	41.9
114.59554	2.1
117.06991	11.4
119.08578	18.2
121.10126	28.0
123.11681	18.6
131.08562	16.7
133.10121	19.2
135.11684	27.2
137.13232	7.6
145.10091	16.2
147.11670	10.5
149.13254	16.1
159.11737	11.9
161.13246	7.7
163.14804	9.4
165.16263	2.2
173.13306	11.6
175.14836	3.7
187.14796	6.3
239.23743	3.2
243.21120	11.1
261.22134	68.7
262.22565	2.8
279.23050	3.3
313.27322	100.0
317.24765	10.3
335.25781	59.5
499.44760	2.4
573.48816	18.0
591.37946	2.5
591.49133	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	593.1494
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	4.7
59.71784	2.3
60.25977	2.2
60.76057	2.4
70.06576	10.5
70.93282	5.7
72.08138	5.9
77.49977	2.5
81.03413	3.8
84.08133	6.0
85.02876	8.0
86.09693	4.7
91.87978	2.8
102.05518	3.3
103.05431	2.8
109.02843	4.1
114.06367	2.6
120.08031	3.4
121.02811	3.2
129.10231	3.3
131.04886	8.2
135.04378	12.7
137.02310	29.9
150.55042	3.8
151.34872	2.4
161.02315	5.6
161.05980	2.8
177.01802	3.4
179.03369	4.6
189.01846	4.8
191.03358	7.0
193.01379	3.0
195.02902	8.8
203.03354	10.8
205.04973	2.9
207.02895	9.7
217.04945	5.3
219.02921	13.6
223.02390	5.9
227.03432	2.8
229.05099	3.1
231.03175	2.5
233.04451	4.0
235.02481	3.0
245.04541	3.0
247.02379	3.6
255.02803	3.2
257.04440	6.4
273.03937	3.6
283.05679	4.4
284.06839	4.2
295.05942	9.8
297.07538	8.0
299.05438	11.6
300.06158	4.0
309.07556	5.5
310.04694	17.9
311.05460	80.4
311.08810	3.1
312.06058	6.3
313.07004	8.4
321.07556	3.4
323.05490	45.7
324.06302	13.1
325.03406	7.4
325.07025	23.2
326.03925	3.4
327.05051	29.7
329.06528	7.4
335.05414	7.7
336.06213	5.9
337.03342	4.9
337.07010	27.1
338.04163	4.3
338.07870	9.4
339.04932	24.2
339.08469	5.9
341.06555	49.8
345.07324	2.9
349.06909	14.7
351.04831	10.4
351.08591	24.1
352.05533	4.1
353.06512	66.0
353.10242	2.7
357.05905	21.8
363.08594	10.5
365.06592	23.2
367.08176	24.5
369.05908	13.2
371.07559	4.9
377.06390	21.0
379.08090	23.9
381.05917	46.5
381.09940	5.0
383.07651	4.0
389.06403	4.6
391.08426	6.2
393.05875	12.2
395.07666	26.6
397.09042	4.0
405.05902	9.5
407.07581	18.6
409.09119	5.3
411.07178	17.5
417.05600	4.5
418.98303	3.1
419.07626	16.6
423.06943	10.2
425.08658	47.5
426.08817	3.8
431.07706	3.0
435.06833	13.4
437.08777	16.4
443.03992	3.5
443.09769	51.8
447.06894	7.3
453.07928	7.9
455.09583	24.7
459.07065	3.3
465.07892	5.8
473.10846	72.1
477.08136	5.9
479.09854	19.4
495.08850	3.5
497.10727	100.0
498.10870	4.1
503.09161	5.3
509.10822	16.4
521.10822	23.8
527.11859	41.5
539.11737	39.9
557.12909	66.3
558.12671	3.2
575.13629	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	590.3812
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59536	0.2
55.05514	0.2
56.05036	0.6
57.07030	0.2
58.06627	0.5
59.07403	0.2
60.08159	6.6
67.05482	0.3
69.07035	0.2
69.30405	0.1
69.46000	1.6
70.06575	0.2
71.07367	2.7
78.34566	0.1
81.07059	0.4
85.47428	0.2
85.91592	0.2
86.09700	32.0
93.07032	0.2
95.08575	0.2
98.21470	0.3
98.98459	3.4
98.99078	0.2
99.75497	0.2
104.10727	2.9
105.07012	0.3
107.08602	0.2
109.10163	0.2
116.99500	0.2
124.99992	22.3
140.47258	0.1
143.01041	0.3
166.02649	0.4
179.14330	0.4
184.07329	100.0
185.07678	0.5
258.11005	0.2
444.34119	0.2
572.37085	1.3
590.38129	2.3
591.40588	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06567	3.6
71.03606	11.1
80.26992	3.6
81.77158	3.4
87.03584	4.0
109.53815	3.7
112.95223	3.3
118.06507	23.2
130.06503	3.7
132.08130	6.8
144.08020	6.1
146.05983	66.3
159.09209	5.8
177.05391	6.2
188.07037	100.0
205.09679	37.4
219.01656	4.0
233.54617	3.5
245.77121	3.6
411.71420	4.0
470.08948	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	590.2593
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	0.8
55.01867	4.8
65.03949	1.1
67.05521	0.6
68.99797	0.9
69.03407	1.3
70.06585	5.0
71.74904	0.7
72.08143	1.7
79.05484	1.5
81.03393	1.5
84.04477	0.9
84.08134	1.4
85.02907	1.4
86.09696	2.0
89.03884	0.8
91.05482	7.0
93.03416	1.1
93.07018	0.7
93.36761	0.5
94.02933	0.7
94.04145	0.5
95.04954	1.1
96.28233	0.5
97.02908	1.2
102.05505	0.9
103.04826	1.1
103.05459	15.3
105.03369	1.0
105.07027	8.0
107.04953	2.4
109.02883	1.2
109.06496	2.0
110.07149	1.0
111.04456	0.7
114.84743	0.5
115.05434	1.5
117.07017	1.2
119.04929	8.2
119.93431	0.6
120.08089	1.2
121.02842	1.5
121.06512	1.4
122.03685	0.9
123.04447	0.8
124.05289	0.5
127.03901	1.0
129.10252	0.8
131.04918	32.4
131.11452	0.5
133.02838	1.5
133.06474	5.9
135.04405	8.0
135.07887	0.6
136.07574	0.8
137.02325	26.1
137.05965	17.3
138.02640	0.5
138.06302	1.9
145.06522	0.8
147.04393	4.7
147.08008	0.9
149.05992	1.3
151.03928	1.1
151.07518	3.3
153.05511	1.4
159.04405	1.1
159.08080	1.8
160.05176	1.0
161.02309	5.2
161.05969	18.8
162.06706	1.8
163.03902	1.0
163.07526	13.9
165.01854	1.5
170.88136	0.6
171.04408	0.9
172.05188	1.3
173.02353	0.8
173.06015	0.8
175.03928	1.2
175.07497	4.3
176.01004	0.7
176.07893	1.0
177.01843	1.4
177.05464	1.6
179.03398	1.9
179.07001	3.1
185.05920	0.7
187.03859	1.0
187.07520	7.4
188.08215	1.3
189.01845	6.0
189.05388	1.3
190.02614	1.0
191.03378	3.5
193.05020	0.9
195.02885	4.5
199.03909	1.5
199.07567	1.0
201.01839	0.8
201.05496	0.9
203.03371	8.2
203.08498	0.7
204.03999	0.6
205.05000	1.7
205.08588	1.7
207.02913	7.5
209.04442	1.2
211.03986	0.8
213.01849	0.8
213.05412	0.8
215.03392	3.4
216.04111	1.2
217.01505	0.6
217.04959	3.2
217.08644	1.7
219.02856	4.2
221.04361	2.8
221.06352	0.8
221.09468	0.8
227.03424	1.2
228.06573	0.7
229.04994	1.6
231.02895	1.9
231.08041	0.9
233.04474	2.6
235.02521	0.7
239.03419	1.1
243.03027	2.7
245.04521	2.5
247.02203	0.7
247.07671	1.0
248.08197	0.7
249.09126	1.2
257.04480	1.2
259.07349	0.6
261.03885	1.3
263.10620	0.9
270.05136	1.5
271.06100	0.8
273.03839	0.8
277.08490	1.0
279.06680	1.0
279.09967	0.6
280.10074	0.6
281.08234	0.7
282.04199	1.0
283.06015	2.3
284.06863	2.9
285.07571	0.7
286.04602	1.3
291.10266	0.9
295.06018	5.5
296.06628	2.1
297.07562	2.6
297.11032	1.2
298.04858	3.2
298.07959	0.9
299.05432	11.7
300.06259	6.2
307.06143	1.4
307.09573	1.3
308.06775	3.0
309.07559	4.8
309.11270	2.5
310.04663	10.4
310.08035	1.3
311.05453	38.8
311.12814	2.2
312.06058	4.7
312.13089	0.8
313.06955	7.4
314.07782	1.5
319.05881	1.0
320.06546	0.9
321.07623	3.1
321.11243	1.3
322.08304	1.4
323.05475	41.0
324.06177	16.7
324.13080	1.8
325.03452	1.1
325.06992	17.6
325.10846	1.1
326.04135	1.0
326.07703	1.4
327.05026	1.5
327.12198	5.6
329.06573	2.4
333.07751	2.8
334.07779	0.7
335.05499	7.8
335.09106	0.5
335.12396	0.8
336.06177	9.2
337.07025	32.0
338.04126	1.2
338.07761	6.5
339.04935	2.6
339.08658	5.3
339.12253	1.1
340.05618	1.0
340.13116	1.2
341.06506	19.2
342.07098	0.8
345.07590	2.9
347.05472	1.8
349.07037	16.8
350.07547	4.8
351.04910	5.6
351.08701	10.4
352.05176	3.8
353.06497	26.6
354.07053	3.2
355.08002	3.6
358.14151	1.0
361.06998	12.3
362.06870	3.0
363.04865	1.3
363.08600	4.3
364.05652	1.5
365.06509	18.9
366.07062	2.7
367.08136	8.8
368.08557	0.9
369.06113	2.4
371.07645	1.8
372.08719	2.7
373.07117	2.0
377.06528	19.7
378.07138	2.4
379.08118	11.8
380.08371	1.3
381.05911	1.7
381.09982	0.8
382.06448	0.8
383.07578	10.7
384.08347	0.8
389.06479	10.7
389.11032	0.9
390.06161	3.9
391.08215	6.1
392.08560	1.0
393.05939	3.1
395.07587	15.5
397.09317	1.9
400.08298	0.8
403.07831	0.8
405.05966	1.6
406.09735	2.7
407.07590	19.3
408.07718	2.6
409.09082	3.3
416.07394	5.6
417.05826	3.6
418.09232	1.3
419.07504	3.9
420.07214	1.9
423.07312	2.1
425.08655	15.7
426.09161	2.1
428.07602	1.8
430.09464	1.6
434.08707	18.5
435.07492	1.2
437.08731	5.4
438.08591	0.8
442.09250	0.7
443.09720	2.1
444.10876	1.2
445.09122	1.0
446.08795	5.8
447.07361	1.8
448.10025	0.9
452.09720	20.7
453.09976	2.0
454.09222	1.4
455.09808	5.4
456.07513	1.0
458.10303	1.4
460.10275	1.2
462.07574	1.0
463.10233	1.0
464.10043	3.5
470.10822	22.5
471.11322	1.7
472.10333	2.9
474.08167	0.9
479.09592	1.2
482.10751	18.2
483.11490	0.8
488.09579	3.2
489.18924	0.7
491.09766	1.9
492.09183	1.8
500.11618	22.1
501.11990	2.0
506.10770	8.2
509.10995	3.7
518.10730	10.2
519.09503	1.1
524.11871	60.8
525.12103	6.1
536.11816	45.8
537.12268	4.1
546.17609	1.2
554.12891	100.0
555.13232	9.2
572.13885	23.5
573.14246	2.2
590.14270	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	590.1497
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	3.9
71.30634	3.0
81.03426	1.2
107.04944	2.7
108.49964	1.2
109.02888	2.0
119.04934	1.5
135.04413	5.5
137.02339	25.2
137.03357	1.7
141.01866	1.4
159.04385	1.7
161.02319	6.9
163.03879	2.1
171.04329	1.5
175.03944	1.7
179.03409	2.4
187.03860	2.3
189.01831	5.3
191.03378	3.8
195.02849	6.1
199.03883	1.6
203.03360	11.4
205.04980	1.6
207.02913	4.0
209.04657	1.3
215.03348	6.1
217.04944	3.0
219.02928	4.0
221.04428	3.8
227.03357	2.0
229.04918	1.9
231.02908	2.4
233.04388	2.0
243.02945	1.9
245.04419	1.5
255.03082	1.3
261.03818	1.5
270.05197	1.5
273.03897	1.5
283.05957	2.4
284.06824	2.9
285.03882	1.4
295.05969	5.2
296.06787	1.9
297.07532	2.4
298.04611	2.3
299.05402	11.5
300.06122	4.3
308.06793	4.4
309.07623	3.2
310.04605	7.8
311.05478	39.0
312.06192	3.9
313.07065	6.5
321.07510	3.3
322.08301	1.8
323.05460	29.5
323.08868	1.7
324.06119	14.1
325.03299	2.5
325.07004	26.5
326.07504	2.8
327.05161	1.8
329.06610	1.6
333.07510	3.4
334.08072	1.5
335.05389	6.2
336.06226	10.5
337.02997	2.4
337.07034	39.1
338.04105	1.5
338.07678	6.7
339.04871	2.9
339.08679	3.2
340.05524	1.5
341.06552	15.8
345.07486	3.7
349.07004	15.7
350.07870	5.7
351.04846	4.0
351.08627	16.9
352.05759	4.1
353.06573	21.8
354.06903	2.5
355.08078	2.5
361.06998	12.5
362.06613	2.3
363.04791	1.6
363.08728	6.9
364.05551	2.1
365.06558	18.7
366.06931	1.7
367.08044	7.6
369.05984	2.2
371.07452	3.1
372.08731	2.7
377.06451	16.4
379.08102	16.8
383.07651	12.7
389.06476	11.2
390.06320	3.7
391.08157	8.8
393.05905	3.3
395.07565	12.9
397.09164	3.9
401.08838	2.6
406.09366	3.7
407.07608	21.8
408.08063	1.9
409.09183	4.1
416.07703	4.9
417.06021	2.5
419.07690	3.6
425.08627	29.0
428.07309	1.8
434.08716	18.8
437.08600	8.1
443.09488	1.9
446.08569	3.6
447.07047	1.4
452.09726	23.4
455.09653	16.5
460.10144	1.9
463.09335	1.5
464.09799	3.4
470.10886	22.6
472.10297	2.6
473.10526	2.3
474.08505	1.8
479.10034	1.7
482.10880	12.0
488.09653	3.6
500.11444	16.9
506.10883	10.9
509.10803	5.5
518.10687	10.7
524.11908	84.2
525.12140	4.2
536.11835	52.2
537.11963	2.3
554.12909	100.0
555.12970	4.4
572.13873	20.3
590.14777	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	590.1498
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	4.0
71.20109	1.6
71.20434	2.1
71.47205	1.1
77.59892	1.3
103.05441	1.2
107.04953	1.4
115.91425	1.1
121.02826	1.7
121.06550	1.2
132.05760	1.1
135.04428	5.7
136.01401	1.1
137.02322	19.5
137.05981	2.0
147.04395	2.4
155.95735	1.0
159.04388	1.7
161.02333	3.6
175.07555	1.9
179.03358	1.5
187.03798	1.3
189.01845	4.8
191.03357	3.9
195.02890	3.4
198.05067	1.3
203.03319	9.0
203.36488	1.1
207.02956	4.0
215.03362	3.3
217.04898	3.2
219.02852	2.1
221.04468	2.6
227.03482	1.3
229.04912	1.7
231.02876	1.6
233.04433	1.6
243.02835	1.5
257.04385	2.8
283.06131	1.8
284.06677	3.0
295.05966	3.3
296.07037	1.6
298.04712	1.6
299.05551	9.6
300.06244	5.0
308.06818	2.6
309.07632	2.4
310.04684	8.0
311.05466	33.8
312.06213	2.8
313.07095	5.5
321.07397	2.7
323.05460	30.8
323.08841	1.3
324.06268	13.4
325.06998	20.6
327.04755	1.3
329.06595	2.7
333.07367	1.8
335.05475	5.7
336.06137	6.6
337.07022	27.4
338.04132	2.0
338.07916	3.8
339.04953	3.1
339.08691	5.1
341.06491	12.4
345.07556	2.4
347.05560	1.4
349.07001	14.6
350.07825	3.9
351.05118	2.4
351.08578	11.3
352.05511	2.0
353.06516	26.8
353.10562	2.3
354.07037	1.3
355.08206	4.2
361.06989	11.8
362.06848	2.3
363.04523	1.4
363.08817	5.8
364.05798	1.6
365.06564	18.7
367.08215	6.9
369.05780	2.3
371.07471	3.9
372.08640	2.8
377.06558	15.5
378.07022	2.3
379.08105	14.4
381.09814	1.8
383.07593	16.1
389.06500	9.2
390.06021	4.9
391.08130	11.5
393.05917	1.6
395.07617	12.6
397.09113	3.7
401.09012	2.0
406.09024	4.4
407.07559	20.1
409.09091	4.6
416.07535	6.6
417.06116	3.8
419.07498	5.0
420.07007	1.7
425.08670	23.7
428.07703	1.6
434.08630	20.5
437.08701	7.7
443.09946	2.3
446.08698	4.2
452.09717	27.9
454.08945	1.5
455.09726	18.6
458.10440	2.5
460.10529	2.2
464.09717	3.5
470.10809	19.4
472.10519	1.7
473.10580	2.0
479.09531	1.7
482.10806	15.3
488.09744	1.3
500.11548	17.7
506.10779	9.4
509.10776	6.7
518.10693	14.5
524.11853	52.0
536.11798	52.4
537.12225	3.9
554.12909	100.0
555.13110	5.7
572.13928	18.4
594.41144	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	590.1499
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.3
55.01862	5.6
61.02927	2.3
68.99800	1.4
69.03417	1.8
70.06581	3.7
70.88373	4.7
74.16410	1.4
75.76270	1.2
81.03420	2.8
85.02882	1.9
86.09692	2.1
93.03407	1.3
94.02914	3.2
105.52197	1.2
107.04932	1.6
109.02917	2.3
127.18639	1.2
127.90890	1.3
133.02786	1.4
135.04401	8.8
137.02325	32.0
137.03334	3.2
137.05969	6.6
160.03915	2.0
161.02342	5.4
163.03845	1.5
165.01794	1.3
170.05940	1.8
171.04408	1.4
177.01846	2.0
179.03410	2.5
186.05400	1.4
189.01772	6.4
191.03400	4.9
195.02901	5.9
201.01903	1.8
201.05374	1.7
203.03375	9.4
207.02924	5.6
211.03825	1.4
215.03412	4.6
217.05038	4.2
219.02933	4.6
221.04434	2.9
227.03355	3.1
228.06609	1.8
231.02834	2.2
233.04436	2.1
243.02939	2.6
245.04536	2.1
254.04813	1.4
255.02705	1.7
256.05896	1.5
257.04510	1.7
282.04080	2.9
283.05954	2.4
284.06802	2.2
286.04828	1.8
294.04156	2.6
295.06024	5.2
296.06635	2.4
297.07526	4.1
299.05450	11.3
300.06219	2.9
307.06021	2.3
308.06833	3.7
309.07574	3.7
310.04681	18.3
311.05484	42.7
311.08780	2.2
312.06027	5.8
312.13284	1.6
313.07111	9.2
321.07578	2.9
322.08298	1.7
323.05502	51.2
323.08771	1.9
324.06223	17.3
324.12891	1.7
325.06970	17.8
326.07532	1.7
328.05908	1.7
329.06485	3.5
333.07614	3.3
335.05408	9.3
336.06110	8.9
337.03525	1.1
337.07022	30.4
338.04074	2.3
338.07791	5.5
339.04910	5.5
339.08649	4.2
341.06516	26.9
342.07056	2.3
345.07483	2.3
349.06973	17.2
350.07867	3.8
351.04871	6.3
351.08679	10.8
352.05786	5.6
353.06491	29.1
354.06778	2.3
355.08154	3.2
361.03214	2.7
361.07077	9.6
362.06677	2.9
363.04865	3.2
363.08685	4.3
364.05652	2.2
365.06549	23.5
366.06662	2.1
367.08157	7.6
371.07800	1.9
372.08450	3.1
373.07108	3.7
374.06567	1.7
377.06567	16.4
378.06769	2.0
379.04080	1.7
379.08209	9.7
381.06036	5.4
383.07608	10.6
384.08627	4.6
388.08313	2.2
389.06378	11.1
390.06046	5.9
391.08054	4.5
393.05908	4.5
395.07617	17.0
397.09351	3.0
400.08026	2.7
401.06601	2.4
402.06000	2.7
405.05795	2.4
406.08920	3.0
407.07523	15.9
409.09207	3.2
413.08636	2.3
416.07547	11.0
417.05670	3.1
418.09048	6.8
419.07666	6.4
420.07123	7.5
422.08740	2.3
423.06976	1.9
425.08627	14.9
426.09305	2.1
428.07501	14.2
429.06091	5.7
430.09290	1.6
434.08679	15.5
435.06985	2.5
437.08786	6.3
440.09360	2.1
442.09082	2.9
443.09616	3.2
444.11221	2.3
446.08731	21.4
447.06958	8.6
452.09689	15.6
453.08902	1.9
454.09131	1.8
455.09552	4.2
456.07272	2.3
460.10040	3.5
461.10345	1.8
464.09769	24.9
465.09933	1.5
470.10703	15.1
471.07248	3.0
472.10352	3.9
473.10043	1.6
474.08127	4.0
476.09695	2.9
482.10828	59.5
483.11435	2.1
488.09515	10.3
492.09186	4.8
500.11273	19.8
501.08081	2.7
506.10980	9.0
509.11099	1.7
510.10187	3.3
512.11456	1.6
518.10895	19.4
519.10284	2.5
524.11829	55.6
525.12207	2.9
527.11761	4.7
536.11865	87.8
537.11920	3.9
554.12885	100.0
555.13214	6.1
572.13959	36.8
573.14014	1.5
590.15088	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	590.15
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	5.7
65.10878	0.9
68.99775	1.3
69.74916	6.8
70.06558	1.2
73.38733	0.9
79.05492	1.3
81.03394	1.3
91.05421	2.0
95.04950	1.3
98.21418	2.0
103.05461	6.1
105.03322	1.0
105.07009	1.9
107.04919	2.9
117.55990	1.0
119.04926	2.7
121.02811	1.7
131.04922	10.8
133.06459	1.5
135.04401	7.5
137.02327	27.4
137.03352	2.4
137.05936	3.7
151.07487	1.0
161.02312	5.7
161.05931	5.5
163.03902	1.7
163.07539	5.4
171.04414	1.9
175.03864	2.1
175.07491	1.3
179.03310	2.0
187.03830	2.7
187.07570	1.4
189.01830	7.3
189.05505	1.9
191.03340	3.7
195.02866	3.8
201.05365	1.8
202.02547	1.2
203.03369	8.4
205.04921	2.0
207.02852	3.8
209.04308	1.3
215.03297	5.6
217.04912	4.3
219.02837	3.2
221.04430	3.5
227.03339	2.3
229.04910	1.2
231.02786	2.9
233.04474	3.5
243.02834	3.6
245.04361	1.8
255.02939	1.6
257.04404	2.1
268.06918	1.0
270.05167	2.8
271.05832	1.7
283.05899	2.0
284.06622	4.4
286.04813	1.6
295.05975	5.8
296.06653	2.0
297.07422	1.9
298.04776	2.4
299.05496	12.0
300.06171	7.4
307.05933	1.7
308.06757	3.3
309.07495	4.4
310.04663	10.5
311.05460	39.2
312.06372	5.5
313.07074	6.1
314.07889	1.3
319.05780	1.1
320.49207	1.2
321.07556	2.8
322.08240	2.7
323.05457	41.2
323.13126	1.3
324.06180	17.0
325.03473	1.6
325.06989	20.6
326.07764	1.7
327.04999	1.9
329.06522	3.0
333.07623	2.6
334.08170	1.4
335.05490	8.8
336.06174	9.5
337.03015	1.7
337.07025	33.6
338.07684	5.8
339.04895	3.6
339.08667	3.3
341.06540	15.2
345.07428	2.8
347.05350	2.6
349.07013	20.1
350.07806	3.9
351.04794	5.7
351.08597	10.7
352.05710	4.6
353.06519	28.8
353.09787	0.7
354.06790	1.4
355.07965	2.8
361.06985	10.8
362.06775	3.0
363.04678	2.3
363.08603	5.2
365.06479	19.3
365.10623	1.9
366.06982	2.1
367.08084	11.2
369.05960	1.8
371.07611	1.5
372.08560	3.6
373.06863	1.4
377.06427	21.0
378.06979	2.4
379.08084	13.8
381.06143	2.2
382.06497	1.5
383.07599	11.3
389.06442	10.7
390.06009	5.7
391.08127	5.8
393.05579	4.9
395.07498	15.5
397.09109	2.3
405.06107	1.7
406.09161	2.5
407.07541	23.7
408.07339	1.8
409.09079	3.7
416.07498	5.1
417.05679	2.3
419.07761	3.0
420.06985	1.8
425.08649	14.5
428.07690	1.5
430.09149	2.1
434.08762	15.6
435.07382	1.3
437.08624	5.5
438.08948	1.4
442.09012	1.2
443.09195	1.5
446.08527	5.7
447.07257	2.2
452.09763	25.9
454.09113	1.6
455.09787	5.3
458.10648	1.3
460.10355	2.5
463.10287	1.1
464.09583	3.1
470.10822	22.4
472.10184	2.3
474.08157	1.3
479.09335	2.0
482.10770	19.3
488.09579	3.8
491.09586	1.9
492.09277	1.5
494.11230	1.2
500.11664	24.4
506.10919	8.6
509.10645	4.0
518.10815	10.0
524.11859	65.4
525.11969	2.5
536.11841	51.2
537.12079	2.9
554.12891	100.0
555.12933	4.0
572.13947	21.7
590.14673	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.4824
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02351	2.8
53.03917	5.2
53.59689	3.3
55.01848	3.4
55.05507	29.2
55.59175	3.2
57.03428	21.3
57.06797	4.7
57.07071	85.1
60.03819	2.9
62.02962	2.7
65.03931	4.2
67.05141	4.8
67.05496	80.8
69.07061	33.5
69.39323	23.7
69.39749	11.7
71.04993	3.0
71.08266	2.8
71.08630	51.7
79.05483	56.9
81.07048	89.4
83.08599	29.1
85.06541	3.7
85.10179	29.8
89.06026	5.5
91.05470	85.8
93.07027	70.5
95.04951	5.2
95.08598	77.5
97.10136	12.8
99.08084	7.0
103.07558	3.9
105.06329	6.3
105.07018	85.7
107.08593	45.3
109.06514	4.6
109.10151	26.5
111.08039	4.9
111.11698	2.9
117.06996	24.6
119.08571	89.8
121.10136	30.7
123.11697	8.5
128.06238	3.2
129.06981	14.9
131.08540	31.6
133.10121	61.8
135.07968	3.8
135.11699	24.6
143.08549	11.9
145.10117	28.8
147.11673	68.2
149.13232	16.3
151.11119	3.2
157.10132	7.9
159.11661	23.9
161.13243	54.5
163.14815	5.0
171.11601	18.9
173.13223	12.4
175.11203	3.6
175.14799	17.6
185.13211	19.7
187.14879	3.4
189.12614	4.9
199.14824	9.4
213.16382	4.8
231.21051	4.5
239.23706	5.3
241.19458	38.6
259.20547	100.0
277.21732	4.5
313.27362	91.4
315.23227	7.7
333.24185	48.3
351.25003	3.7
443.18686	3.4
528.16052	3.7
571.46887	7.8
589.48187	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	589.4457
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	9.1
55.05514	42.0
57.03427	8.3
57.07064	22.8
59.40001	5.1
62.08417	5.4
64.84652	6.2
67.05497	54.1
69.07046	17.5
71.08622	17.5
71.75940	5.5
79.05486	45.0
81.07043	52.0
83.04965	12.5
83.08604	29.5
85.06552	6.6
85.10175	8.6
89.15567	5.5
91.05475	39.5
93.07033	53.1
95.04957	36.6
95.08591	41.6
97.10173	28.5
98.85098	5.0
99.08068	5.4
99.23259	5.8
105.07015	33.8
107.04971	6.6
107.08570	27.2
107.48141	4.8
109.10163	20.3
111.04433	8.4
111.08105	10.1
117.07025	11.8
119.08587	32.7
119.09301	6.7
121.06453	8.3
121.10129	25.0
123.11701	11.1
125.09618	16.3
129.07008	5.3
131.08553	22.6
132.51662	5.2
133.10097	25.5
135.11676	20.3
139.89793	5.5
143.08528	7.7
145.10150	17.8
147.11684	17.6
149.09639	8.1
149.13306	10.5
149.65543	4.9
153.09111	12.6
159.11646	12.7
161.13281	16.5
163.11150	15.9
165.12753	8.9
171.11705	8.6
173.09456	5.4
173.13211	7.8
174.10312	5.2
185.13263	7.6
189.11205	20.1
191.10590	6.7
199.40009	5.2
213.16277	6.3
223.13266	11.9
241.19531	14.0
243.20978	12.0
259.20551	31.7
261.22128	22.7
275.20044	19.7
277.21622	17.5
280.85791	5.7
293.21091	100.0
313.27371	42.5
333.24265	15.5
339.23224	6.5
459.33514	6.1
496.31866	5.8
553.42059	10.4
571.43469	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	589.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05018	1.1
57.03399	1.5
61.02900	0.6
63.22324	0.4
64.21757	0.5
66.30459	0.5
69.03388	1.3
69.64335	0.5
70.06578	1.1
71.04987	6.3
71.26700	1.1
73.02884	0.6
79.05489	2.8
81.03357	0.7
83.04936	0.5
84.04498	21.1
85.02898	10.2
87.04414	1.1
97.02862	1.3
99.04441	0.7
102.04884	0.6
102.05529	10.2
106.05883	0.7
106.06536	6.2
107.04951	5.8
112.03919	1.0
115.44893	0.5
116.04964	2.5
127.03899	0.6
130.04108	0.7
130.04996	10.9
130.06482	1.0
132.05945	0.6
132.06827	6.4
133.07614	6.6
134.05997	4.5
140.03462	0.5
144.08073	1.4
148.06032	4.3
156.08052	2.6
157.06105	0.8
158.04451	1.5
162.85597	0.5
171.09146	8.5
172.07538	0.7
180.08806	2.4
185.07077	1.0
190.08565	0.6
194.10370	0.8
199.06963	0.8
199.08652	9.1
200.07114	0.7
202.08539	1.1
217.09766	3.7
218.08121	0.8
227.08151	0.6
235.10760	1.8
236.09209	1.9
245.09190	6.2
263.10248	4.3
281.11298	73.9
282.11691	1.2
313.13968	3.1
331.15005	0.9
443.16580	100.0
444.16965	2.6
589.22388	10.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.191
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02355	0.6
53.03930	1.7
55.01854	1.5
57.03412	1.7
60.77890	0.4
61.02917	1.1
64.58910	0.5
64.83839	0.5
68.99767	1.0
69.03092	0.6
69.03423	7.6
70.06577	1.6
70.09944	1.4
70.10358	1.2
71.04966	1.1
73.02895	1.4
79.05478	1.4
81.03409	7.5
81.07031	1.0
85.02896	16.7
86.09686	1.1
87.00823	5.5
91.05457	3.8
93.89270	0.5
94.04170	3.1
95.05003	0.8
97.02895	4.9
98.20733	0.5
99.04445	2.9
103.05462	1.8
105.01862	3.3
105.07026	5.3
107.04945	1.6
109.02862	6.9
109.06498	1.3
111.04446	0.6
115.03883	0.6
115.05453	3.1
117.06989	1.3
118.04105	0.6
119.08549	1.6
120.08065	0.9
122.03633	6.0
127.03900	11.5
128.06180	0.8
129.01810	1.1
129.06992	2.0
131.04939	2.0
132.05685	1.8
133.06465	4.2
135.04431	0.5
137.05960	100.0
138.06282	0.7
143.04919	0.8
144.05646	0.7
145.04951	3.6
145.06470	1.0
146.03604	1.3
147.04417	1.9
147.08035	3.1
149.05965	2.1
151.03880	0.8
151.07529	0.5
155.04916	1.0
156.05687	1.0
157.06445	0.6
159.02872	5.1
159.08076	3.4
160.05211	2.1
161.05960	16.4
162.06645	0.6
163.07501	1.0
165.06984	0.6
167.06987	1.0
169.06439	0.7
171.08038	0.5
172.05179	1.0
173.06247	0.5
175.07527	31.8
177.05429	0.6
179.07080	0.9
181.06487	0.5
182.66980	0.6
184.05196	1.2
185.05869	0.6
187.07507	9.1
189.05437	1.1
189.07036	0.7
190.07759	2.1
191.06989	0.8
191.08551	6.5
199.07523	7.6
202.07745	3.2
203.08545	7.1
205.08533	0.5
208.08771	0.6
215.08525	0.5
217.08624	1.4
218.07286	1.9
219.08031	12.0
220.08748	3.0
221.09532	0.7
230.07137	0.7
230.54280	0.5
231.04964	0.6
231.05728	0.8
231.08034	8.5
232.08795	2.3
233.09647	1.1
235.07420	0.6
235.11058	0.9
236.08289	2.2
237.09062	1.1
243.08138	0.7
247.07449	4.3
248.08282	4.2
249.08965	0.9
251.10646	15.2
253.08441	0.6
259.07513	7.5
260.08325	2.6
261.09091	1.7
262.10007	0.6
263.10648	5.9
264.07803	1.3
265.08633	1.5
275.10483	0.5
276.07843	4.1
277.08563	2.2
279.10129	10.7
280.10870	1.1
281.08090	0.9
291.10117	13.0
291.13297	0.7
292.10947	2.4
293.07953	2.3
295.13406	0.7
296.10437	0.8
303.10156	1.3
308.10336	2.2
309.11118	0.8
311.12744	32.2
313.06735	0.6
321.11304	1.3
323.05533	0.9
323.12726	24.5
335.12820	1.8
337.07153	0.7
341.06656	1.1
341.13666	1.4
353.13699	1.2
359.12973	0.5
365.06628	0.7
365.13754	0.7
377.13867	0.6
378.47415	0.6
394.24246	0.6
395.07587	1.0
401.13791	0.7
407.07925	1.0
419.15002	0.7
524.11725	2.0
536.11786	0.6
554.12860	2.7
572.13831	0.7
585.63556	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.1913
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.9
55.01868	3.4
55.52086	0.7
57.03422	1.3
61.02923	1.8
66.04695	0.7
67.05506	0.8
68.27798	0.8
68.99770	1.2
69.03424	10.4
69.97816	2.1
69.98232	2.1
70.06569	1.6
71.04969	1.9
72.08140	0.7
73.02893	2.1
79.05468	2.3
81.03398	11.0
81.07047	3.0
85.02893	16.3
86.09694	0.9
87.00826	6.0
87.04458	2.6
90.51405	0.8
91.03925	0.9
91.05478	4.7
93.07045	0.8
94.04185	3.8
95.04956	1.7
97.02884	6.9
99.04449	4.5
103.03904	0.8
103.05452	4.5
105.01171	0.8
105.01805	3.9
105.07048	5.4
107.04939	1.7
109.02854	10.8
109.06499	3.1
109.10155	0.7
115.05437	4.9
117.01801	1.0
117.07017	1.5
118.77474	0.7
119.08570	4.0
121.06468	1.0
122.03635	7.2
127.03908	12.5
128.06215	3.0
129.01831	1.2
129.06950	1.8
131.04915	6.3
132.05699	3.8
133.06465	2.9
137.05959	100.0
138.06294	1.3
141.06935	1.9
143.04913	1.0
145.04950	2.8
145.06473	0.8
145.10039	1.0
146.03575	1.1
147.08037	4.3
149.05969	1.3
151.03880	0.7
156.05699	1.0
159.02887	5.8
159.08037	2.0
160.05197	2.7
161.05957	14.8
163.05350	0.7
163.07542	14.8
167.04887	0.8
168.05579	0.8
169.06462	1.9
171.08031	1.9
175.07529	49.8
184.05215	2.8
187.07516	5.0
189.09059	1.1
190.07758	1.5
191.08575	3.0
192.09279	0.8
199.07526	16.0
201.09126	1.8
202.07765	7.6
203.08559	11.8
206.07309	1.0
213.09135	0.8
218.07314	0.9
219.08047	5.4
220.08853	2.9
230.07188	0.8
231.05431	1.2
231.08012	17.3
232.08769	2.7
235.11122	1.0
236.08333	0.8
237.09279	1.2
244.12057	0.8
247.07544	3.4
248.08308	8.3
249.09082	2.0
251.10553	3.7
253.08456	0.8
258.06686	0.7
259.07492	10.9
260.08252	4.2
261.09149	1.6
262.09467	0.7
263.10654	8.7
265.08563	2.3
268.15665	0.7
275.07050	1.0
276.07715	5.8
277.08557	5.0
279.10110	3.8
280.11115	1.2
290.09253	0.8
291.10101	20.5
292.10995	4.3
293.08063	3.2
293.11438	1.2
295.13364	1.8
308.10291	3.1
311.12747	7.9
315.10052	0.8
323.12729	44.0
325.14349	3.4
341.06482	1.0
365.06503	1.2
424.63928	0.7
469.12256	0.8
518.10333	0.8
524.11511	1.1
536.11847	1.0
554.12469	1.4
589.25873	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	589.1906
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	3.3
55.01864	2.9
57.03426	1.7
61.02909	1.0
66.04745	0.7
68.64906	0.7
68.99775	1.5
69.03426	10.6
70.06583	1.8
71.04998	1.2
73.02905	1.8
79.05470	1.8
81.03412	12.3
83.01368	0.8
84.08131	0.9
85.02894	18.5
87.00819	7.9
91.05473	3.7
91.80656	0.6
94.04190	3.5
95.04977	0.7
97.02887	6.9
99.04438	3.1
103.05421	3.7
104.06207	0.9
105.01837	4.9
105.07023	3.7
107.04948	1.4
109.02860	10.4
109.06528	2.6
115.04002	0.9
115.05439	4.0
117.01787	0.8
117.06995	0.9
118.80401	0.7
119.08562	3.1
120.08022	0.9
122.03620	7.9
123.04343	0.9
127.03910	14.1
128.06210	3.1
129.01814	1.2
129.06970	1.6
131.04892	6.0
132.05699	3.1
133.06483	3.0
137.05960	100.0
138.06380	1.1
141.06958	0.9
145.04941	2.4
145.06522	1.5
145.31505	0.7
146.03613	2.0
147.02943	1.1
147.04329	1.1
147.08032	3.5
149.06017	1.5
151.07620	1.1
156.05632	1.4
159.02852	4.8
159.08078	1.7
160.05215	2.2
161.05945	14.1
163.07532	12.8
167.07051	2.1
169.06464	1.4
171.08011	1.8
175.07529	57.2
179.06975	0.9
184.05176	2.5
185.05939	1.0
187.07568	4.2
189.07138	1.0
189.09003	1.8
190.07713	0.9
191.08482	3.5
199.07530	19.7
201.09074	2.3
202.07784	6.6
203.08554	10.3
218.07277	1.2
219.08022	7.5
220.08833	3.4
221.09570	1.1
230.07324	1.4
231.05373	1.3
231.08020	16.0
232.08817	3.5
235.11244	1.1
237.09117	1.2
245.09595	1.1
247.07582	2.7
248.08272	7.4
249.09189	1.9
251.10648	4.0
258.06781	1.1
259.07523	8.6
260.08267	3.4
261.09042	1.9
263.10611	8.0
264.08011	0.9
265.08517	2.6
273.09213	0.8
275.06943	1.3
275.10901	1.0
276.07773	6.0
277.08539	6.0
279.10229	4.1
281.08401	0.9
289.48810	0.7
291.10138	21.7
292.10901	6.1
293.08072	2.6
293.11349	1.2
295.13080	0.8
303.10138	0.9
308.10376	4.4
311.12717	8.5
321.11090	1.2
323.12741	49.6
324.13046	1.4
325.14362	2.9
333.11246	1.0
335.12698	1.5
341.13748	1.4
353.13934	1.4
365.13608	1.4
549.43854	0.9
577.38354	0.8
588.40723	1.7
589.20074	1.0
589.40637	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.0687
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42695	0.7
53.03948	0.8
55.01863	1.0
55.93528	1.0
56.94301	2.5
56.96555	3.4
57.14399	0.8
57.50791	0.7
58.58937	0.7
59.74737	0.9
60.38101	0.7
69.03395	1.4
69.10870	0.8
70.95853	2.3
71.31580	1.8
71.31929	1.0
72.93774	10.4
81.03407	2.0
84.96018	1.6
85.02892	1.0
88.96871	1.4
90.94814	9.3
93.81321	0.9
95.05766	0.9
97.02885	2.8
98.97575	5.2
102.94812	2.0
104.96404	1.0
108.95856	4.0
109.02876	3.1
110.09499	0.9
110.97577	1.0
114.94807	1.8
115.91214	0.8
116.96386	1.5
116.98615	3.5
120.95833	1.0
121.01662	1.0
124.99107	0.8
128.96350	3.8
128.98582	2.7
130.97917	3.1
132.95819	47.6
134.99625	1.6
140.96371	2.4
143.00111	3.9
144.95798	14.7
145.03491	1.0
146.97397	2.7
146.99632	3.1
148.98962	2.6
150.96870	23.8
152.96367	1.0
155.00140	3.6
155.97424	1.6
156.95792	3.6
158.97382	17.3
158.99657	2.2
160.95320	2.9
161.01231	5.0
162.96863	15.2
162.99084	1.8
168.95830	7.0
170.97343	12.5
170.99615	1.4
172.94260	1.4
172.98944	3.3
173.01176	6.5
173.98520	1.0
174.96881	28.9
176.98425	10.1
177.00734	2.3
178.96373	2.5
179.02229	1.2
184.95392	1.4
184.98982	3.4
186.96860	24.9
186.98627	1.2
188.98448	5.5
189.00685	2.2
190.99988	0.9
191.02301	1.1
192.97937	4.0
197.01256	2.4
198.94997	1.6
198.96867	32.4
200.98409	10.1
202.96420	5.9
203.00017	3.1
203.02184	0.9
204.97931	6.5
204.99930	1.9
207.01782	0.9
210.96863	15.9
212.98503	2.0
214.95381	2.1
215.00270	1.0
215.02129	4.4
216.97913	24.4
218.99562	1.3
219.01582	1.3
220.97383	1.5
222.96875	1.6
223.01131	1.5
226.96404	1.8
228.97874	8.0
232.96423	0.9
234.98962	35.8
237.02931	1.2
239.99600	1.9
240.97923	2.7
244.97128	3.3
246.95393	1.3
246.98915	1.2
252.97037	2.4
253.00243	1.5
258.00555	2.5
258.98914	1.8
263.31790	0.9
264.96448	3.9
267.00156	2.5
274.97336	1.2
277.00021	100.0
278.00247	1.0
288.96451	2.3
289.00012	10.6
291.00208	2.3
295.01059	2.3
300.56192	0.9
303.01581	2.3
304.99619	2.0
306.97424	22.5
307.01096	28.7
316.98499	5.8
318.02808	2.3
318.97473	7.5
321.01437	0.9
329.01913	1.2
330.97510	1.6
334.99628	4.2
336.98758	4.0
337.02188	3.6
346.96017	1.1
347.00439	0.9
366.99493	8.2
367.03384	1.2
372.98331	1.8
390.99533	5.6
393.03497	1.0
397.00739	27.4
399.00717	0.9
408.96353	2.3
409.01465	8.8
411.04449	5.0
427.01758	10.4
457.70810	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.0695
Annotation	Unknow
Peak:m/z	Relative Intensity
55.93491	0.7
56.94296	1.6
56.96552	1.6
66.14214	0.6
69.03412	0.8
70.48476	1.5
70.95852	2.2
72.93772	7.9
81.03403	1.6
84.96027	0.6
85.02872	1.6
88.96885	1.7
89.26492	0.6
90.94814	8.9
97.02863	1.5
98.21364	0.7
98.97560	2.1
101.84538	0.6
102.94788	1.6
108.95853	2.4
109.02866	2.8
113.96387	1.1
114.94817	2.8
116.96362	1.4
116.98596	1.8
126.94807	0.7
128.96336	2.9
128.98541	0.9
130.97876	2.8
132.95819	37.9
134.97375	1.9
134.99638	0.9
137.86951	0.6
140.96358	1.6
142.97806	0.9
143.00131	1.7
144.95798	11.4
146.97375	1.7
148.98924	2.7
150.96884	20.9
152.96330	0.9
154.97842	0.8
155.00157	1.5
155.97391	2.4
156.95834	2.6
158.97386	16.8
158.99493	0.9
160.95351	2.3
161.01218	2.8
162.96884	11.3
164.85098	0.7
168.95831	6.4
170.97365	9.4
170.99591	1.1
172.98929	3.0
173.01265	1.5
173.98511	0.9
174.96872	27.6
176.98433	9.6
177.00662	1.7
178.96364	2.3
181.98982	0.9
182.97421	1.1
184.30640	0.8
184.98950	3.1
186.96863	22.9
188.98419	5.2
189.00745	1.0
190.99919	0.9
192.97913	3.7
198.96869	30.4
199.98714	0.8
200.98444	9.0
202.96367	5.1
202.99983	2.3
204.97940	6.4
204.99924	1.1
210.96889	11.2
212.98502	1.5
215.02263	1.3
216.97911	22.4
218.99524	1.7
220.97472	1.5
222.96910	1.5
224.98495	0.9
226.96356	1.3
227.00053	1.1
228.97935	7.1
234.98970	36.6
239.99516	2.2
240.97945	1.7
244.97461	2.9
246.95369	2.4
248.99223	0.8
252.97665	1.1
253.00145	1.8
257.03284	0.9
258.00574	2.7
258.99069	2.5
264.96417	3.0
276.00461	1.1
277.00027	100.0
278.00558	1.6
283.50870	0.8
284.16409	0.7
288.53311	0.6
288.96622	1.7
288.99902	11.0
289.02960	1.2
291.00180	1.1
295.01016	2.2
303.01636	1.8
304.99323	0.9
305.03546	0.8
306.97421	21.4
307.01080	29.0
307.04718	1.4
316.98392	2.2
318.02612	2.2
318.97452	8.2
319.00885	1.1
319.98392	0.7
330.97333	0.9
334.99399	1.4
336.98755	4.0
337.01587	3.9
342.97562	1.0
347.00320	1.5
348.03650	1.8
366.99564	9.4
372.98547	1.5
390.99530	6.4
397.00937	7.7
397.04684	5.2
409.00900	11.3
411.04346	1.0
427.01727	11.3
589.07330	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	588.4617
Annotation	Unknow
Peak:m/z	Relative Intensity
54.99541	5.9
55.05513	27.7
56.01318	5.7
67.05488	24.3
67.79093	5.1
69.07050	16.2
69.64553	43.4
79.05484	20.0
81.07030	21.7
83.08620	16.8
91.05472	25.3
93.07021	25.7
95.04940	19.9
95.08583	23.1
97.06494	6.1
100.57389	5.7
105.07022	23.0
107.08571	25.6
109.10139	14.8
117.07008	5.9
119.08575	19.6
121.10130	12.9
125.09664	7.5
131.08585	12.3
133.10123	13.3
135.11678	11.6
145.10110	19.4
147.11667	16.6
149.09613	18.7
151.51743	5.6
161.13232	5.6
163.11159	21.8
176.10320	6.0
185.68456	5.3
223.13319	16.1
239.17908	6.2
257.18936	10.3
275.20026	100.0
293.21109	30.4
385.78824	6.0
484.05347	6.1
588.46545	7.1
605.25470	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.0382
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	3.7
55.84273	0.7
56.96294	1.1
56.96558	10.2
61.74434	0.9
71.04472	1.3
71.04802	1.4
73.56767	0.7
81.03407	7.6
83.96597	0.7
84.08117	1.0
84.96013	5.1
85.02924	0.8
86.09667	1.2
98.96955	1.2
98.97572	17.1
102.97071	0.8
105.67077	0.9
110.97562	3.5
116.98617	13.9
119.01904	1.3
120.01933	0.8
121.01711	0.9
122.01074	0.7
124.99064	2.2
128.98598	6.8
129.10197	0.8
132.10089	0.8
132.95819	2.2
133.01735	1.0
134.99628	5.6
136.07549	0.8
136.92146	0.8
136.99110	2.0
143.00137	12.8
144.95879	0.9
145.01622	0.8
145.03473	1.4
146.99635	7.4
147.03212	2.4
150.96814	0.7
155.00145	10.8
158.99670	4.9
159.03258	1.0
159.54822	0.9
161.01205	22.4
162.99167	2.6
165.00662	2.0
165.04233	1.0
170.99615	6.1
172.65263	0.8
172.94263	4.0
173.01218	21.4
173.02676	0.9
175.02834	1.0
177.00717	7.8
179.02231	4.1
182.99625	1.7
184.02795	1.8
185.01253	1.1
185.02956	1.0
186.99092	3.9
189.00716	11.3
189.02348	0.9
190.95299	3.9
191.02252	3.3
195.01704	1.2
197.01193	8.7
198.96930	1.0
199.04543	0.9
201.00674	3.1
201.04169	0.8
203.02251	2.9
205.00185	9.2
207.01736	1.4
209.01280	2.0
214.95340	5.8
215.02266	13.3
219.01770	2.8
223.01192	10.9
226.95354	1.8
227.02280	3.5
230.98112	1.0
232.96286	2.0
233.03325	1.4
234.95877	1.1
234.99078	2.1
237.02736	4.5
238.95299	1.8
239.02194	1.5
244.96298	5.8
245.03304	1.8
247.01242	0.9
248.99130	7.0
252.96886	7.5
256.96490	2.8
257.03342	4.3
267.00211	8.7
270.97757	1.4
274.97482	3.7
275.98236	0.8
277.00049	3.1
291.00256	5.9
298.97522	1.6
305.09085	1.3
306.97824	1.3
309.01273	2.8
315.02390	1.4
316.98523	14.3
317.01929	1.0
321.01443	4.5
328.94769	4.2
329.01682	3.3
334.99545	16.2
336.98880	1.5
346.95911	6.9
347.02786	1.6
358.01184	2.0
362.04001	1.1
367.05353	1.3
379.00061	2.3
393.03259	2.2
395.05038	1.0
397.01062	100.0
398.01346	2.9
408.97440	29.4
411.04160	11.7
415.02228	2.4
426.98309	2.5
438.03555	2.3
475.64847	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	588.2276
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.0
55.01863	1.1
55.05497	2.1
56.05008	1.4
57.03426	4.8
58.44715	0.8
59.04994	1.3
61.02914	2.1
67.05495	1.7
69.03430	5.0
70.06588	9.4
71.01340	1.1
71.04981	20.9
71.06909	1.1
71.75929	1.2
72.08137	4.3
73.02898	1.6
74.06049	1.1
74.30430	0.9
75.04452	2.1
79.05475	2.3
81.03414	2.5
82.06558	1.3
83.04969	13.5
84.04496	4.0
84.08140	5.1
85.02895	47.5
86.09704	7.5
87.04450	2.6
87.05554	1.6
88.03982	1.3
91.05482	1.7
95.04949	1.4
97.02874	2.3
99.04438	1.8
102.05505	2.1
103.05453	3.5
105.07031	0.9
105.42348	0.9
106.06545	18.2
107.04960	7.1
109.02875	2.6
110.07132	2.5
111.04432	8.7
116.07074	1.0
117.06998	1.0
118.06546	2.7
120.08087	2.1
127.03899	3.9
128.07109	2.8
129.05464	16.1
129.07033	1.0
129.10190	2.8
130.06503	3.5
131.04904	3.5
132.08086	5.1
133.06429	1.4
134.05997	39.0
136.07556	1.1
137.05971	4.0
144.08078	3.6
147.06537	1.1
152.07040	3.9
153.05492	1.7
158.05997	44.2
160.07597	1.9
161.05916	1.6
162.05516	2.3
163.07529	1.4
172.07484	4.9
176.07083	10.4
179.07101	1.1
186.05493	4.4
187.07527	1.4
188.07080	1.9
200.07056	5.7
239.09209	1.3
262.10757	6.6
280.11768	100.0
281.12076	1.0
293.12213	1.1
296.11255	1.2
426.17639	5.1
434.00012	1.0
442.17053	42.3
588.13965	1.2
588.22693	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	588.2394
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05022	1.3
57.03442	2.3
59.66794	0.4
61.02907	0.4
68.05025	0.5
69.03419	1.8
70.06588	0.4
70.94292	1.2
71.01359	0.5
71.04985	7.6
74.02428	0.8
79.05482	1.9
81.03413	0.9
82.91873	0.4
83.04971	0.4
83.06102	0.9
84.04495	56.6
85.02895	11.7
85.04800	0.4
87.04474	0.8
91.05486	0.6
96.45295	0.4
97.02894	1.6
98.21053	0.9
99.04455	0.6
101.07130	9.1
102.05528	0.9
105.03468	0.4
106.06539	5.3
107.04950	4.0
109.02853	0.4
111.05570	0.5
112.03949	3.0
116.04960	9.4
118.06575	0.5
127.03922	0.8
128.03465	0.5
129.05589	0.6
129.06580	10.4
130.04985	18.2
133.07596	5.4
133.12077	0.4
134.06003	16.5
139.04997	0.3
144.08099	1.0
147.07628	2.1
149.84496	0.4
151.08644	5.0
152.07068	5.1
156.08060	2.6
157.06082	4.0
171.09154	4.6
171.10271	0.4
172.07581	1.1
185.07127	1.7
199.08644	8.0
199.10347	0.7
200.07153	1.7
202.08644	0.9
208.08128	1.0
217.09758	2.0
218.08183	1.5
227.08205	1.9
228.06685	0.6
234.12311	0.6
235.10675	0.5
244.10802	0.5
245.09204	11.5
246.07666	1.3
263.10239	13.3
280.12897	38.7
281.13391	0.6
425.15744	1.9
442.18173	100.0
443.18283	3.0
512.34003	0.4
588.23981	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	588.1707
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	2.2
55.01854	4.0
57.03423	2.5
61.92265	1.8
69.03404	2.0
70.06581	6.5
70.66541	1.7
71.75471	2.1
72.08153	1.8
81.03400	3.8
84.08140	3.2
85.02880	8.6
86.09669	3.1
87.04471	1.7
94.02895	4.7
95.04953	3.7
103.05434	2.9
105.03383	31.8
109.02885	2.1
129.03329	4.8
129.10219	2.3
135.04385	3.1
137.05916	2.5
144.99896	2.5
147.04346	4.4
147.47006	1.9
158.79555	1.8
159.33940	1.7
163.03946	2.1
167.28650	2.0
173.77036	1.8
176.01091	2.4
177.01794	3.0
179.03377	3.3
189.01683	10.5
191.03340	5.8
195.02882	6.5
201.01778	2.6
203.03403	11.7
207.02905	10.8
217.04916	7.6
219.02843	2.8
221.04442	4.1
226.05450	2.1
227.03328	2.8
239.06946	2.6
245.04414	2.4
251.07014	6.1
252.07771	8.8
255.02841	4.4
263.06961	9.0
264.07736	2.4
265.08536	3.8
266.05685	5.5
267.06500	18.6
267.23914	2.0
268.07306	14.3
269.04498	4.0
275.06854	3.7
277.08517	11.2
278.05704	20.8
279.06491	81.6
280.07181	11.1
281.08026	12.7
283.06094	6.8
284.06705	4.1
289.08618	2.5
290.09167	2.2
291.06512	94.5
291.09921	4.8
292.07220	33.3
292.10168	3.1
293.04724	2.5
293.08051	42.7
294.08716	2.4
297.07455	14.1
301.08691	4.7
303.06485	17.4
304.07202	7.7
305.04578	2.6
305.08081	48.4
306.08652	10.6
307.05933	5.3
307.09439	7.3
308.06546	3.0
309.07526	45.4
313.06644	3.7
317.07971	10.8
318.08813	2.9
319.05936	12.6
319.09607	33.7
320.06680	5.7
320.09988	3.3
321.07541	57.7
321.10928	2.4
322.08109	4.3
323.08954	6.0
325.07156	3.2
329.08188	11.6
330.07831	7.9
331.05820	5.9
331.09583	14.6
333.07590	31.6
333.11319	4.6
334.07990	4.5
335.09125	10.0
337.06955	6.9
339.08524	8.7
340.09622	8.1
341.07947	4.0
343.08157	6.9
344.06635	4.0
345.07452	15.5
347.09094	19.9
348.08936	3.4
349.06900	2.8
349.10638	5.0
351.08655	30.4
357.07465	14.1
358.06927	12.3
359.09113	13.7
361.06796	5.1
361.10809	3.7
363.08554	22.0
365.10251	3.8
369.07468	6.5
371.08969	7.2
374.10269	11.1
375.08575	21.9
377.09915	3.0
384.08707	15.0
385.06827	11.3
387.08582	17.7
388.08279	6.2
389.10330	4.0
393.09683	35.8
399.08771	5.0
402.09683	68.2
403.09555	3.4
405.09509	13.5
406.09109	4.0
414.09689	15.9
417.09390	10.0
420.10745	65.6
423.10477	10.0
426.12073	2.8
428.11169	5.5
432.10562	8.2
435.10678	10.3
438.11795	71.1
441.11377	5.1
442.11435	26.3
450.11887	50.5
451.12375	2.6
453.11469	6.5
456.10583	9.0
460.14581	2.9
468.12897	54.0
474.11765	24.3
480.10596	5.4
486.11954	4.5
492.12820	100.0
493.13153	3.4
498.11655	11.3
504.12766	19.5
516.12891	39.2
516.20447	3.4
522.13965	44.1
534.13837	36.2
535.13831	2.8
552.15002	53.4
570.16119	24.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	588.1707
Annotation	Unknow
Peak:m/z	Relative Intensity
56.40656	2.3
69.03399	2.9
70.06582	11.7
72.08145	5.6
81.03434	2.8
84.08125	4.2
85.02894	8.0
86.09686	6.9
91.05466	3.0
94.02906	2.6
95.04975	3.4
103.05469	3.5
105.03384	31.3
109.02855	2.5
110.07154	2.7
119.04915	2.3
137.05963	9.6
147.04408	2.5
154.55023	2.0
161.05952	2.3
162.06792	3.1
168.08279	2.4
178.07791	2.5
189.01833	9.1
191.03401	8.1
203.03354	9.3
207.02902	8.1
208.82292	2.5
217.05016	6.0
221.04323	4.4
235.07599	3.7
251.06969	5.7
252.07779	5.8
263.06998	10.4
265.08600	7.3
266.05725	2.9
267.06534	14.5
268.07269	11.6
277.08505	7.2
278.05786	26.3
279.06531	64.8
280.07278	7.9
281.08044	10.4
282.08652	4.2
289.08414	3.8
291.06494	92.4
291.09650	3.8
292.07156	26.6
292.10022	2.9
293.08041	23.8
297.07578	6.6
301.08405	3.0
303.06519	11.7
304.07178	7.2
305.08081	40.0
306.08755	12.7
307.05902	6.5
307.09521	7.1
309.07574	34.9
316.06851	2.6
317.08124	8.5
318.08484	3.0
319.05933	17.1
319.09607	22.4
320.06732	8.8
321.07568	53.4
322.07846	3.1
323.08847	3.4
329.07986	6.2
330.07703	8.4
331.06046	4.0
331.09619	10.9
333.07562	25.5
334.08331	4.8
335.05557	3.1
335.09149	12.8
337.07053	6.9
339.08694	4.5
340.09552	7.1
341.08099	3.2
344.06128	2.7
345.07648	12.1
347.08969	13.8
349.07022	5.3
349.10745	3.6
351.08633	19.1
357.07489	9.3
358.07224	9.8
359.09067	9.6
361.07047	7.2
363.08633	15.0
365.10406	3.3
371.09207	4.7
374.10190	8.6
375.08569	16.9
376.08722	3.5
377.10004	3.9
384.08548	16.7
385.06964	9.0
387.08496	14.1
388.08060	2.7
393.09735	19.4
402.09714	42.5
405.09714	13.5
414.09637	11.7
417.09268	6.1
420.10794	46.3
423.10629	6.3
428.11087	7.2
432.10675	7.0
435.10562	3.0
436.59906	2.4
438.11859	75.5
442.12366	4.6
450.11877	55.7
456.10944	7.7
468.12961	67.4
474.11771	27.1
480.10641	5.1
486.11490	3.5
488.14169	2.9
492.12869	100.0
493.12936	4.8
498.11615	7.8
504.12759	14.0
516.12891	30.6
522.14026	39.1
534.14044	37.3
552.06683	3.0
552.15088	47.0
553.14355	2.7
570.15936	25.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.4308
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	23.7
55.05506	79.5
57.03406	6.0
57.06834	7.1
57.07072	76.1
58.04195	6.1
59.04976	24.2
59.40305	6.6
65.03927	7.4
67.05501	81.7
69.03405	7.3
69.07081	33.8
69.70559	11.3
69.70969	34.2
71.04949	7.4
71.08620	71.6
72.05746	7.1
73.06534	10.8
79.05488	74.6
81.07051	100.0
83.04977	17.6
83.08609	42.2
85.06516	7.9
85.10175	50.6
87.04456	20.2
89.06034	31.9
90.01909	30.3
91.05462	66.4
93.07034	72.0
95.04957	52.8
95.08588	47.8
97.06516	18.6
97.10163	48.3
103.07561	8.8
105.07021	68.1
107.04938	9.9
107.08588	47.9
109.06502	20.9
109.10147	25.7
110.44490	5.6
111.04486	7.1
111.08057	19.5
117.07000	24.5
117.09098	13.2
119.08566	50.7
119.54426	5.4
121.06453	5.7
121.10124	23.1
123.08001	10.2
123.11669	7.9
125.09661	34.5
129.06996	18.2
131.08568	38.3
133.06451	6.5
133.08594	18.8
133.10106	34.9
135.08084	8.2
135.10527	5.3
135.11653	21.5
143.08557	11.3
145.10106	39.3
147.08113	8.9
147.11665	38.3
149.09615	22.7
149.13252	12.5
151.11188	10.6
155.08530	7.0
157.10194	10.1
159.11678	23.0
161.13202	17.9
163.11163	17.6
163.14856	7.1
165.12683	7.8
171.11641	13.4
173.13211	18.7
175.11191	11.7
175.14818	9.8
181.12143	10.2
183.31299	5.5
185.13217	9.8
189.11264	32.6
189.12643	7.3
199.20564	6.1
219.26106	5.8
223.13213	18.3
227.12798	7.1
239.17979	6.0
241.19411	12.3
257.19058	10.9
259.20624	45.8
261.22043	6.5
273.18533	8.0
275.20023	32.9
277.21640	29.9
291.19498	25.9
293.21097	74.0
295.22708	7.6
436.35825	11.1
515.38910	6.9
533.39966	8.0
551.40619	13.7
569.41895	25.1
587.43359	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	587.4303
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	5.6
55.01866	16.3
55.05513	35.6
55.44174	3.9
56.37273	3.7
57.03418	5.2
57.07064	14.7
67.05502	66.0
69.07056	28.3
71.08626	16.2
79.05474	56.4
81.03393	8.7
81.07050	91.5
83.04978	12.2
83.08589	22.9
85.10156	11.4
91.05471	59.3
93.07036	48.2
95.04963	21.1
95.08603	55.7
97.06525	15.8
97.10168	11.9
99.08092	8.1
105.07022	55.9
107.04940	16.9
107.08578	37.1
109.06496	26.4
109.10126	19.3
111.08048	13.9
113.09657	6.4
117.07002	19.3
119.08559	41.3
121.06480	10.3
121.10141	31.6
123.08049	11.5
123.11674	5.8
125.09624	9.3
129.06984	11.2
131.08540	27.1
133.10107	28.9
135.08047	5.7
135.11670	19.0
137.09653	8.9
137.85463	4.5
143.08536	7.4
145.06465	3.9
145.10126	25.3
147.11658	26.8
149.09525	18.3
149.13155	8.5
151.11200	22.4
157.10178	11.3
159.11690	15.8
161.09686	4.2
161.13275	9.8
163.11223	18.6
165.12738	20.4
169.10147	5.1
171.11716	10.1
173.13274	10.5
175.11201	6.0
175.14870	9.0
177.12788	5.6
179.14278	8.2
187.11024	4.9
221.15369	4.6
223.13258	4.8
229.19562	7.8
239.18028	7.1
247.20660	7.0
257.19000	15.4
259.20605	6.5
275.20032	100.0
277.21628	61.5
293.21057	17.0
295.22668	29.4
340.65555	4.2
569.41791	9.0
587.46350	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	587.4303
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	18.0
57.07067	32.8
60.63592	5.7
66.79290	7.1
67.05497	48.9
69.07062	22.5
69.44809	55.0
69.45219	15.7
79.05485	25.9
79.12607	5.9
81.03407	10.2
81.07047	55.4
83.04961	8.6
83.08614	19.6
85.10171	81.2
91.05454	33.7
93.07051	35.6
95.04964	23.2
95.08605	41.6
97.06501	6.9
97.10151	9.0
98.20646	12.0
105.07015	32.0
107.04944	17.1
107.08591	29.3
109.06519	11.3
109.10140	15.5
111.08075	8.8
113.09624	81.8
119.08559	22.2
121.10110	23.4
123.08062	10.6
129.07053	10.2
131.08562	20.7
133.10123	17.4
135.08057	7.2
135.11690	8.7
145.10130	21.8
145.94807	6.6
147.11673	31.4
149.09604	23.9
151.11075	8.1
157.10126	10.0
161.13284	11.2
163.11151	22.2
165.12762	83.5
173.13197	7.5
175.11136	15.4
177.12677	6.4
179.14371	7.5
207.13834	8.7
229.19435	6.7
233.23238	5.8
257.18951	10.1
259.20575	16.0
275.20050	61.6
277.21613	91.0
293.21030	20.3
295.22659	100.0
537.02972	7.2
587.39844	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	587.4303
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	8.4
55.01862	15.7
55.05511	26.1
57.03446	4.7
57.07053	13.7
67.05492	59.7
69.07058	30.6
70.83511	4.1
70.92549	12.0
70.92910	4.9
71.04979	6.8
71.08620	31.2
79.05486	71.8
81.03405	9.4
81.06607	7.0
81.07051	100.0
83.04971	14.5
83.08599	18.0
85.06522	5.5
85.10162	5.8
90.12781	4.5
91.05473	53.4
93.07034	78.3
95.04961	23.6
95.08607	49.8
97.06528	18.2
97.10155	8.1
99.08091	12.4
105.07020	46.0
107.04933	15.6
107.08595	52.7
109.06485	23.4
109.10122	20.0
111.08089	11.6
113.09608	5.9
117.06985	10.9
119.08562	33.3
121.06486	7.1
121.10133	33.7
123.08058	7.0
123.11649	7.5
131.08530	23.8
133.10115	21.7
135.08020	5.9
135.11699	32.9
145.10104	22.7
147.11618	23.3
149.09570	10.2
149.13246	14.8
151.11137	10.6
157.10071	10.7
159.11700	13.2
161.13248	13.2
163.11206	8.9
165.12740	9.5
173.13222	5.6
177.12761	5.8
179.14305	76.9
206.83572	4.9
229.19543	8.7
257.18997	8.0
259.20749	5.4
275.20041	83.9
277.21576	69.4
293.21014	11.0
295.22552	7.5
311.77606	4.3
318.67221	4.9
453.46832	4.3
587.46936	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	587.2309
Annotation	Unknow
Peak:m/z	Relative Intensity
69.55321	3.9
70.06553	0.7
70.56269	0.5
79.05440	0.7
81.06996	1.8
86.09658	0.5
95.08600	0.5
119.01885	1.2
137.05838	0.6
143.01836	0.9
157.03365	0.5
161.02892	1.5
173.02898	1.9
185.02875	1.0
197.02898	1.1
199.04430	0.7
201.03638	1.2
203.05305	3.9
215.03989	1.0
216.40970	0.5
221.05157	0.6
227.05254	1.0
230.33994	0.5
231.04749	0.9
239.03969	0.6
245.05000	0.8
257.04929	1.5
263.06354	0.6
271.04291	0.8
287.49860	0.5
317.07971	1.0
339.17691	1.6
347.09372	0.5
363.08911	5.4
365.10510	8.4
387.08731	0.8
389.10474	2.1
405.10007	14.9
407.11563	23.3
449.08994	22.6
451.10571	80.3
501.23108	1.8
543.24121	19.4
587.23059	100.0
588.23334	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.43
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	3.4
55.01874	8.3
55.05503	50.8
57.03429	4.0
57.07069	4.3
59.05000	3.2
65.03951	3.8
67.05500	50.6
69.03406	5.4
69.07063	20.3
69.47805	7.9
69.48222	20.5
71.04978	6.2
71.08594	4.2
76.66793	2.3
79.05489	56.6
79.35815	2.4
81.03404	8.0
81.07049	100.0
83.04970	14.8
83.08614	20.3
85.10173	2.9
91.05476	30.6
93.07037	47.3
95.04956	14.1
95.08598	29.5
97.06517	4.7
97.10161	33.5
103.74506	2.4
105.07036	29.7
107.04961	5.8
107.08575	29.4
109.06525	12.6
109.10150	25.2
111.04420	21.0
111.08076	9.9
115.05508	3.3
117.07037	12.9
119.08567	32.3
121.06468	7.2
121.10131	24.6
123.08078	18.8
123.11686	4.1
125.05992	3.0
125.09621	22.2
129.06979	7.6
131.08519	19.0
133.10120	15.3
135.08032	5.4
135.11652	14.9
137.09557	5.9
143.08569	7.7
145.10126	20.5
147.08041	8.9
147.11679	8.2
149.09642	6.3
149.13300	7.3
153.09171	5.6
153.12764	8.1
157.10141	7.7
159.11700	10.7
161.09566	4.4
161.13251	4.4
163.11186	12.0
163.14926	3.6
165.09117	6.3
169.10107	4.5
171.11716	5.0
173.13274	9.4
175.14915	3.3
181.12244	13.5
187.14949	3.4
189.11197	26.5
191.10614	13.0
199.14989	2.8
215.10535	3.1
223.13315	5.9
224.41743	2.8
227.12781	14.3
227.17944	4.9
233.75095	3.3
243.21219	6.2
245.18951	3.5
255.17427	3.8
261.22168	31.4
273.18399	17.4
275.20221	6.4
277.21545	10.1
291.16351	6.1
291.19525	78.4
291.22751	5.7
309.20541	6.4
383.29947	3.4
469.15338	2.6
533.40118	3.9
551.04150	3.9
551.40833	9.2
569.41730	11.0
587.43207	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	586.4521
Annotation	Unknow
Peak:m/z	Relative Intensity
54.66198	0.8
55.05497	2.6
57.03425	0.7
57.07070	74.5
59.04713	1.2
59.04995	16.7
65.76881	0.6
67.05486	2.2
69.07050	2.4
69.78468	4.4
71.08624	73.5
72.08974	0.8
73.06564	3.3
79.05476	2.5
81.07042	3.3
83.08614	2.0
85.10174	67.0
86.10486	0.9
87.04463	9.5
89.06022	100.0
91.05482	1.6
93.07054	1.7
95.01400	0.6
95.04948	1.2
95.08599	1.4
97.10173	1.1
99.11713	5.9
103.07563	6.8
105.07015	2.5
107.04974	0.6
107.07055	3.7
107.08601	0.8
109.06532	1.3
117.09142	2.7
119.08586	1.2
121.10139	1.8
130.08635	3.2
131.07042	4.3
133.08594	73.4
141.16354	5.4
145.10078	1.2
147.11697	1.1
175.09676	3.7
177.11201	28.9
178.51106	0.6
199.20546	5.5
212.44106	0.6
219.12274	1.0
221.13814	4.5
239.14890	1.9
243.23209	3.7
265.16397	0.7
275.20117	1.2
276.20309	1.4
283.17496	3.2
327.20105	3.4
371.22723	16.3
411.26172	1.2
415.25177	1.5
429.27045	1.0
569.42865	1.5
586.44830	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	586.3007
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07068	6.9
58.06582	2.0
59.88327	0.9
63.64398	1.1
70.06589	19.9
70.50907	1.0
71.08633	2.1
71.75263	1.3
74.77227	1.0
83.87650	1.2
85.10187	1.5
88.07625	20.8
102.09167	14.5
138.20190	1.1
140.57071	1.1
148.77208	1.0
149.02330	44.0
153.06998	1.2
191.44530	1.1
193.04948	50.4
219.06496	1.4
228.23201	55.1
269.04498	2.4
286.37540	1.0
297.04022	3.1
313.07178	2.5
313.35336	1.0
327.90051	1.1
341.06540	11.0
358.71692	1.0
359.07422	6.5
362.86243	1.1
385.09143	54.9
492.86276	1.0
523.11780	1.0
549.06311	1.0
586.30072	100.0
587.30359	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.2902
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39866	0.5
55.01859	0.6
55.05508	0.6
55.83624	0.6
56.05019	0.7
67.05484	0.8
70.06586	8.1
71.74835	1.0
72.08149	14.7
74.00647	1.1
76.03996	2.7
79.80730	0.5
80.05001	1.7
81.03413	0.6
81.07035	0.8
84.04502	4.7
84.08144	1.4
85.04009	1.6
86.09713	3.0
92.01712	0.7
95.08577	0.7
99.05537	0.8
105.06993	0.7
107.04938	1.5
112.02142	1.3
112.03950	0.8
116.07091	1.5
120.08072	1.9
121.06452	0.5
122.09692	0.6
128.48521	0.5
130.05002	2.9
131.04469	1.3
131.08516	0.6
132.08075	3.5
133.08900	1.1
134.09645	2.6
136.07568	1.4
136.09940	1.1
139.03256	2.0
145.06067	1.6
146.09529	0.6
149.10730	100.0
150.11520	8.5
153.06567	1.0
155.08162	0.8
157.13362	0.9
159.02220	2.5
163.12283	2.3
166.06839	1.8
177.03290	3.7
181.06021	0.9
183.14975	0.6
185.03799	17.4
191.15407	1.4
205.16978	0.9
210.14879	1.2
219.18552	2.9
231.04329	31.5
233.20038	0.7
240.10426	0.8
244.16873	1.3
248.10973	0.8
259.00165	0.6
261.17215	0.9
262.18030	18.4
264.19580	2.0
266.12137	2.6
276.10519	1.9
276.14175	0.9
276.39944	0.5
277.19006	0.8
278.19876	31.5
279.20587	5.1
281.22232	5.2
288.06448	14.7
293.16510	1.0
294.12225	0.6
294.15152	4.0
296.16818	1.0
311.17847	58.0
312.18207	1.0
313.19373	2.3
337.19467	2.2
369.14636	2.8
413.60855	0.7
457.24771	44.5
466.12051	0.6
511.25659	2.0
568.28076	10.1
586.28998	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	586.26
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07072	2.5
60.64713	1.2
61.33728	1.2
69.07049	2.5
69.40793	1.5
70.63422	4.1
72.04521	2.8
73.02900	2.1
85.02914	1.9
85.06538	3.1
90.05548	43.4
95.04959	2.3
95.55517	1.6
96.07716	1.6
98.02415	4.0
103.07574	1.8
107.86704	1.4
116.02723	1.5
116.03393	7.8
118.06509	3.6
124.07600	6.3
124.26803	1.4
142.08611	4.2
144.08107	2.6
146.05988	10.0
164.20090	1.4
184.09717	9.7
188.07051	10.6
190.06450	1.4
202.10707	16.4
205.09692	3.0
207.68936	1.4
220.11778	100.0
228.48849	1.3
358.53723	1.6
400.72726	1.7
444.59079	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.2491
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56661	0.4
53.03933	1.6
55.01851	2.1
56.05011	0.8
57.03399	0.5
60.04504	1.1
61.02923	0.6
65.03933	2.8
67.05495	0.6
69.03400	0.7
70.06219	0.6
70.06583	10.8
71.74991	0.7
71.75362	0.6
72.08141	3.7
73.08483	0.5
75.04462	3.4
77.03921	0.9
78.04704	1.6
79.05455	2.4
81.03384	1.0
84.04494	1.3
84.08125	3.2
85.02892	4.5
86.09689	4.3
89.03889	1.0
89.06020	1.6
91.05472	14.0
93.03397	13.5
93.07038	6.4
93.32767	0.5
95.04947	5.5
97.02875	1.3
97.06551	2.7
103.05460	7.6
105.03391	0.8
105.07015	5.8
106.04162	30.8
107.04963	1.3
108.05763	0.7
109.06483	1.4
110.07187	1.6
111.04449	0.7
115.05464	1.0
117.03378	0.8
118.04163	1.4
119.04928	2.3
120.08074	1.6
120.90819	0.6
121.06495	34.6
123.04435	1.3
123.08036	0.8
124.05122	0.9
125.05972	10.0
129.10201	1.1
131.04933	3.2
131.05811	0.6
133.02841	5.6
133.06462	6.3
134.03609	5.1
135.04385	1.5
135.07965	0.9
136.07570	0.9
137.05968	8.3
138.06740	1.2
139.07513	2.6
145.02820	1.6
147.04372	2.7
148.05186	3.1
149.05965	54.9
151.07521	2.9
153.05453	1.8
153.09088	14.6
161.05972	10.4
163.07513	5.3
165.05458	2.5
166.06200	1.1
167.07007	1.3
171.11313	0.6
177.05457	29.3
179.06981	1.5
180.07751	0.6
180.99580	0.5
181.06973	1.2
181.08575	24.1
191.07022	15.3
193.08601	8.4
209.08067	100.0
210.05788	0.9
210.08455	1.3
219.24280	0.7
238.05244	1.4
266.93262	0.6
286.15326	0.5
286.18533	0.6
339.11966	0.9
341.13806	0.9
357.13251	0.7
512.11774	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98355	0.7
53.03923	2.3
54.04160	0.7
55.01857	1.3
57.03416	1.6
61.02904	1.3
64.57610	0.7
65.03938	1.0
69.03423	7.7
70.02932	0.8
70.06581	5.4
71.04975	1.2
71.06925	0.8
71.69103	1.2
72.08130	1.9
73.02893	2.1
76.03981	1.7
77.59976	0.8
79.05470	3.4
81.03416	8.6
84.04501	1.8
84.08125	3.8
85.02895	9.0
86.09692	3.1
87.00802	2.9
91.05479	4.5
93.03398	1.2
93.07003	1.0
95.04967	0.8
97.02895	4.7
99.04440	3.0
101.07097	0.8
101.75806	0.7
101.76550	0.7
103.05444	1.4
105.06989	1.7
106.04156	3.7
106.06546	18.2
107.04922	3.5
108.04499	0.8
109.02908	4.3
110.07143	1.7
115.05429	3.0
116.04972	1.9
117.05746	2.1
118.06532	24.0
120.08035	0.7
121.06492	2.4
125.06022	1.1
127.03870	5.2
129.10242	0.9
130.06511	18.4
131.04927	1.2
132.06816	2.5
132.08078	5.3
133.07599	64.9
134.05974	4.2
142.06535	4.1
143.07254	1.5
144.08067	14.9
145.04897	1.5
145.07588	8.3
146.05991	53.1
149.06003	5.6
151.08652	100.0
153.09071	1.2
156.07661	1.1
157.07610	1.3
159.02856	1.0
159.09178	7.3
161.05934	1.7
161.07104	4.1
164.06978	0.8
169.07602	12.2
170.05997	22.7
173.07088	5.1
177.05469	1.8
181.08595	1.8
188.07057	60.3
189.07364	0.9
191.08249	4.4
193.08478	1.4
203.08221	0.9
205.09756	1.0
209.07991	6.7
209.09367	5.2
215.08093	4.9
220.11208	1.0
229.15533	1.0
230.09686	1.2
231.09206	2.2
232.11179	1.1
245.89185	0.7
248.10739	0.8
249.42738	0.7
256.10110	1.0
257.10745	3.5
259.12387	1.0
274.13403	0.8
292.14441	1.3
303.11145	0.9
320.14035	1.7
321.12399	2.4
332.08395	0.7
338.14948	78.7
339.14944	1.1
355.14966	5.0
399.14069	3.2
419.14139	1.0
500.20343	8.9
525.17401	0.8
536.08032	0.9
542.21313	63.5
543.21503	1.8
586.20270	81.1
587.20599	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.4143
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.6
55.01862	5.9
55.05500	15.3
57.03429	2.5
57.07068	5.2
65.03947	1.8
67.05497	30.7
69.03404	1.8
69.07054	14.1
70.17861	9.0
71.04977	2.5
71.08626	3.1
79.05489	33.1
81.03394	2.3
81.07043	53.4
83.04970	5.8
83.08630	9.8
85.06499	2.2
89.06020	6.6
89.82004	1.4
91.05470	28.0
93.07032	28.1
95.04950	10.1
95.08595	23.5
97.06531	4.9
97.10117	2.2
98.20786	3.0
105.07024	31.4
107.04950	12.1
107.08579	18.8
107.25167	1.6
109.06500	20.6
109.10161	9.6
111.08045	5.6
117.06994	13.2
119.08569	25.0
119.13433	1.8
121.06481	9.5
121.10150	12.9
123.08075	8.9
123.11703	3.7
125.09611	2.8
129.07001	4.4
131.08546	20.4
133.06451	3.3
133.08546	2.3
133.10086	17.5
135.08051	3.8
135.11691	5.3
137.09605	4.0
141.06953	1.8
143.08528	4.3
145.06494	3.1
145.10083	18.1
147.08035	3.5
147.11653	16.8
149.09599	9.1
149.13239	5.6
151.11137	5.5
157.10156	4.5
159.11670	12.9
161.09598	3.2
161.13235	3.4
163.11189	6.2
163.14885	1.8
165.12767	4.7
167.62593	1.9
169.10168	2.9
171.11685	4.6
173.09624	2.8
173.13234	5.9
175.11188	4.8
177.11340	2.1
177.12740	3.1
183.11690	3.1
185.13297	2.1
187.14835	3.4
189.12746	2.8
191.14380	2.9
193.28522	1.8
201.12677	3.9
203.14253	1.8
207.13864	2.8
229.19429	3.5
231.17293	2.3
233.15332	4.7
239.17876	5.0
247.20518	5.0
257.18936	13.3
273.18411	4.2
275.20032	100.0
291.19308	3.5
293.21011	23.8
549.39307	3.3
567.40228	10.2
585.42078	11.3
585.56030	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	585.4147
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03917	2.9
54.35784	2.7
55.01854	3.4
55.05504	23.9
55.46085	2.6
57.07052	5.5
67.05503	19.7
67.38309	2.7
69.03408	3.4
69.07048	10.2
69.45524	3.0
70.18852	11.5
71.08603	4.4
73.11579	2.8
79.05486	18.0
81.03406	8.6
81.07054	31.0
83.04978	6.7
83.08610	28.4
85.10169	4.1
89.06035	4.7
91.05474	14.3
93.07037	18.2
95.04967	25.8
95.08590	19.5
97.06534	4.7
97.10120	5.0
105.07024	20.2
107.04951	10.5
107.08588	20.2
109.06532	9.2
109.10162	7.1
111.08102	4.4
117.06992	10.1
119.08567	20.0
121.06512	7.1
121.10133	12.4
121.87120	3.0
123.08041	3.9
123.11668	5.3
125.09624	6.4
131.08513	16.1
133.10139	18.7
135.08076	4.5
135.11682	10.4
139.17130	2.9
143.08539	4.5
145.10086	21.7
147.08054	7.2
147.11659	12.6
149.09583	18.5
149.13170	4.4
149.58441	3.2
151.11180	3.5
155.08536	4.0
157.10162	5.1
159.08006	3.2
159.11693	11.9
161.13243	4.1
163.11162	20.9
171.11661	5.3
173.09570	6.7
173.13284	8.1
175.11214	3.8
177.12764	3.6
183.11679	4.7
185.13257	5.3
197.13196	4.3
223.13286	14.8
229.19522	3.6
239.17888	7.3
257.18933	10.7
275.20029	100.0
293.21045	55.8
311.29434	6.1
312.30228	3.4
331.35080	3.2
585.40564	5.1
585.56256	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	584.4726
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29119	1.8
55.05498	5.2
57.03419	2.1
57.07072	96.6
59.04726	3.1
59.05000	49.3
67.05490	4.1
69.07052	4.4
71.08627	100.0
71.74432	2.7
72.73528	2.3
79.05463	2.6
81.07035	6.6
81.76392	1.8
83.08616	5.2
85.10178	93.0
85.24128	1.8
87.04486	2.3
89.06033	24.5
91.05451	3.7
92.73469	1.7
93.07024	4.1
95.08575	6.5
97.10202	1.9
98.98463	9.6
99.11716	9.4
101.09618	4.9
103.07521	2.8
105.07018	6.8
106.07404	1.8
107.08567	4.3
109.10145	2.0
117.09115	15.7
119.08561	6.7
121.10125	4.5
123.11675	2.1
131.08578	2.2
133.08588	10.9
133.10080	2.5
141.16385	11.1
145.10078	1.8
147.10132	2.6
155.01041	9.9
156.01357	2.3
157.10040	2.7
162.45064	2.1
177.11194	7.8
195.12254	3.1
199.20586	18.5
235.15242	2.2
253.16515	3.5
257.24759	28.0
275.20215	2.3
300.28925	2.8
311.20865	2.5
311.29404	4.5
341.30350	3.7
342.30792	8.1
584.41199	5.8
584.55725	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	585.2704
Annotation	kirkinine D
Peak:m/z	Relative Intensity
55.05503	2.0
67.05488	3.2
69.07077	2.3
71.08617	1.8
71.69327	1.5
79.05482	2.3
81.03385	1.6
81.07054	6.0
89.05993	1.7
91.05477	2.9
93.07059	2.7
95.04973	2.1
95.08577	3.2
105.07008	3.0
107.08575	1.7
109.10158	2.3
119.08568	2.9
121.10115	2.2
131.08521	2.8
133.10124	2.3
145.10103	1.7
223.12335	1.5
237.13860	1.9
251.15387	2.5
261.13879	3.2
275.20026	3.1
279.14975	2.3
329.15427	1.5
339.16016	3.0
340.17999	3.2
351.15994	1.6
352.17053	1.7
353.17566	4.3
353.56503	1.6
354.18494	4.3
355.19229	2.6
367.19278	3.8
368.20029	5.2
369.20840	6.3
377.17722	2.4
379.19202	5.5
381.16733	2.6
383.22388	5.7
391.19092	2.1
392.19971	2.1
393.20959	3.2
395.18661	4.4
397.20581	1.7
409.20404	2.2
410.21127	2.9
423.17816	2.0
424.18762	4.3
425.19824	13.7
437.19754	4.2
438.20270	9.5
439.21222	28.3
451.21436	4.2
452.22147	7.7
453.22675	2.8
454.23727	2.7
456.24777	1.9
465.22775	3.4
469.25949	1.6
479.24347	4.4
483.20377	5.0
484.25262	2.0
491.55222	1.6
497.25351	5.4
514.25812	4.1
525.25024	58.2
539.26300	2.4
557.26965	2.6
584.56854	4.5
585.27057	100.0
585.56647	2.5
586.27289	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	584.4219
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	15.7
57.07061	17.1
59.04988	8.5
60.44739	5.0
67.05492	25.4
67.18937	5.1
69.01907	5.3
69.03431	7.6
69.07052	8.5
70.51022	4.7
71.73256	12.2
71.81208	4.9
71.85647	6.9
79.05484	21.7
81.07064	32.1
83.04981	5.8
85.06561	8.5
89.06033	10.1
91.05489	41.7
91.63081	5.8
93.07048	55.6
95.04950	13.0
95.08603	34.8
96.80608	5.2
105.07024	82.7
107.08581	53.5
109.06511	11.0
109.10152	14.8
117.07024	19.3
119.08590	100.0
121.10136	32.7
123.08064	14.4
128.06221	10.9
129.07018	17.5
130.07735	7.4
131.08562	55.0
133.08614	9.2
133.10126	52.4
135.08072	17.3
135.11700	10.1
137.09639	9.3
141.06958	10.2
142.07782	14.8
143.08528	41.9
144.09337	11.5
145.10144	66.5
147.07996	16.6
147.11684	17.4
149.09627	7.5
151.07521	16.9
155.08524	21.1
156.09349	22.6
157.10120	72.4
158.10953	7.4
159.08015	8.2
159.11685	32.8
161.09608	9.9
161.13289	7.4
163.11176	12.7
165.09134	28.2
168.09235	6.7
169.10120	17.7
170.10913	8.8
171.11699	36.7
172.12386	8.2
173.09558	6.9
173.13278	30.0
175.11118	14.5
175.14822	15.8
179.08586	9.2
180.09416	7.2
181.10112	13.8
181.12361	8.3
182.10863	8.0
183.11665	35.0
184.12445	9.1
185.13283	15.3
187.11121	6.6
187.14778	9.2
189.12732	12.1
193.10040	10.5
193.12296	8.3
195.11699	26.4
196.12427	10.4
197.13248	27.8
199.14803	13.6
203.14290	18.4
207.11685	8.1
207.13853	11.8
208.12498	5.6
208.14526	6.1
209.13277	10.4
210.13872	6.0
211.14787	13.8
221.13440	9.3
221.15382	51.8
223.14778	8.1
225.16177	7.2
234.16139	7.7
237.12820	8.7
237.16206	6.6
247.16977	9.6
269.15530	5.6
299.20132	11.1
311.29510	8.8
319.20535	5.9
325.21576	10.8
326.68915	6.2
337.21680	9.6
352.23950	81.5
365.24744	20.4
371.50000	6.3
380.27057	5.9
383.25702	6.6
398.28140	14.1
412.29785	16.5
419.79388	6.7
438.31403	9.9
489.33624	12.7
491.35071	14.7
492.35364	12.7
504.35977	97.4
512.82574	7.0
584.41833	18.9
584.55981	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	584.3062
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	8.2
53.85180	2.6
55.01864	8.6
55.05498	2.3
55.74709	2.1
57.03417	2.2
58.82550	2.5
61.02913	4.3
67.05476	4.3
69.03424	27.6
69.07063	3.3
71.04994	6.3
71.17635	3.8
71.17978	4.5
73.02905	6.4
79.05463	5.6
81.03419	29.0
81.06653	2.1
81.07043	12.2
83.08585	2.2
84.08150	3.6
85.02898	65.1
87.00819	26.6
91.03996	2.6
91.05479	6.3
93.07037	9.0
95.08586	9.8
97.02884	36.7
99.04479	11.7
105.01852	34.2
105.07005	28.4
107.08597	15.0
108.04468	4.2
109.02875	33.5
109.10149	16.3
111.11707	6.9
117.01852	4.6
117.07006	3.0
119.08576	32.2
121.10151	11.2
123.11605	2.2
125.09553	2.3
127.03907	60.3
129.01859	3.4
129.07007	2.1
131.08549	10.9
133.10095	10.6
135.11691	5.5
143.08548	6.1
145.04950	25.4
145.10129	19.3
147.02914	3.0
147.11650	16.7
149.13246	3.2
157.10141	6.9
159.02879	18.9
159.11702	11.3
161.13197	6.4
173.13223	12.3
175.14766	2.9
185.13213	2.7
193.12175	2.9
199.14799	10.2
213.03880	3.6
213.16409	4.8
221.15231	2.8
227.17979	6.2
229.19406	4.4
231.05000	14.5
245.15353	5.2
249.06123	3.2
255.21062	79.7
273.22198	4.4
283.20593	19.0
301.21622	100.0
319.22583	17.5
325.21478	2.2
345.22397	2.1
429.53293	2.3
503.26221	3.0
531.25861	5.0
549.79517	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	583.4136
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	6.3
55.01855	3.1
55.05501	21.3
57.03410	3.6
57.07070	48.1
59.04979	9.9
60.76712	3.5
65.03943	5.6
67.05506	31.9
69.03418	7.9
69.07063	34.1
69.60773	30.2
71.08632	27.5
71.29910	3.2
72.87607	2.6
77.33352	3.7
79.05491	37.3
81.06686	3.6
81.07056	42.9
83.04960	10.9
83.08588	15.5
85.06538	11.3
85.10174	15.0
87.04445	6.7
89.06026	39.0
91.05473	68.1
93.06510	5.6
93.07040	75.0
95.04972	18.4
95.08597	45.5
96.27895	2.9
97.06503	11.5
103.05473	5.1
103.07605	3.8
105.07018	93.5
105.07716	6.3
107.04916	6.1
107.08588	67.6
109.06497	14.3
109.10144	33.3
111.08096	4.3
111.11774	4.5
113.09609	4.5
115.05472	6.6
116.06172	5.0
117.07003	24.8
119.08569	100.0
120.08766	3.3
121.06490	7.3
121.10132	85.8
123.08086	20.9
123.11662	9.0
125.05936	4.5
125.09657	4.4
128.06216	15.2
129.07016	21.9
129.90321	3.2
130.07774	8.8
131.08548	48.0
132.36426	3.5
133.06506	5.0
133.08594	25.3
133.10110	63.1
135.08064	10.8
135.11691	26.8
137.09590	10.1
139.11151	7.5
141.06969	11.2
142.07745	25.6
143.08559	53.7
144.09341	12.8
145.10120	70.1
147.08049	12.8
147.11694	28.0
149.09610	11.7
151.07520	8.5
153.06982	7.7
154.07771	3.2
155.08571	18.9
155.10623	5.0
156.09331	25.1
157.10118	73.9
158.10812	12.8
159.08002	6.9
159.11673	39.9
161.09685	7.1
161.13257	7.4
163.11142	10.4
165.06947	11.3
165.09041	17.5
166.07727	5.2
167.08527	19.7
167.10645	53.0
168.09288	12.1
169.10110	36.8
170.10869	13.9
171.11661	38.9
173.13264	34.1
175.11229	4.3
175.14815	16.6
177.11218	5.0
179.08549	15.8
180.09305	7.6
181.10110	24.2
181.12219	8.1
182.10956	16.3
183.11696	37.3
184.12357	7.3
185.09608	4.3
185.13199	21.2
187.14822	14.8
189.12764	8.3
191.14348	9.9
192.09276	9.1
193.10170	20.0
194.10875	18.8
195.11691	29.9
196.12436	9.1
197.13245	36.4
199.11298	3.5
199.14816	31.5
201.16299	3.3
203.14301	12.8
205.10139	7.5
206.10835	8.6
207.11673	27.4
207.13731	6.2
208.12373	7.6
209.13254	39.6
210.13963	5.8
211.14792	17.5
217.10143	7.6
217.15793	20.1
219.11694	12.4
220.12329	6.3
221.13222	25.0
221.15353	27.7
223.14771	19.9
224.15509	5.2
225.16365	8.2
227.14287	6.1
231.11646	7.3
232.12442	4.0
233.13155	12.0
233.15396	20.2
234.13828	4.5
235.14859	15.7
237.12721	4.0
237.16333	11.5
239.17944	7.5
241.15872	4.5
245.13269	9.5
246.13951	6.0
247.14790	13.9
249.16376	13.7
251.17964	7.5
253.19563	4.6
257.13214	4.8
257.19171	8.1
259.14783	7.6
260.15521	5.4
261.16382	9.6
263.17914	12.7
265.19470	9.7
269.18985	3.9
271.14816	4.2
272.15396	3.8
273.16290	9.0
274.17010	4.9
275.17883	9.3
277.19351	6.9
283.20544	12.9
285.16016	3.7
285.18814	3.7
289.19275	4.5
295.20422	3.5
299.20435	4.5
309.22162	6.3
321.21707	3.6
331.24054	6.1
335.23547	4.0
349.25201	6.2
375.26630	5.0
427.29791	3.7
491.35339	3.9
565.40027	19.6
583.41351	98.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4144
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02364	1.4
53.03941	5.8
55.01863	2.2
55.05509	16.6
55.47269	1.4
57.07073	12.7
58.47327	1.4
59.04984	3.8
60.15335	1.3
60.33187	1.4
65.03935	4.6
66.99471	1.4
67.05499	28.1
69.03426	9.4
69.07062	19.7
69.57679	13.1
70.64047	1.4
71.04978	1.5
79.05486	27.4
81.03394	2.0
81.07048	42.1
83.04991	8.3
83.08617	11.7
85.06532	6.9
91.05470	49.2
91.06040	2.5
93.07036	63.2
95.04962	13.5
95.08598	43.7
97.06535	6.2
97.10184	2.9
98.20769	3.1
98.98457	4.0
103.05477	6.0
105.07017	88.5
107.04943	2.5
107.08584	51.4
109.06508	15.1
109.10149	23.1
111.08083	3.9
115.05453	4.5
117.07012	20.5
119.08567	89.8
121.06519	6.6
121.10133	52.7
123.08068	17.8
123.11712	5.7
125.05965	2.3
125.09651	2.6
128.06200	13.4
128.97992	1.4
129.06998	19.7
130.07751	9.7
131.08554	39.9
133.06483	3.4
133.10112	42.7
135.08058	13.5
135.11679	16.6
137.09581	12.4
139.07545	2.9
139.11174	3.4
141.06964	12.1
142.07764	21.9
143.08551	48.3
144.09370	8.5
145.10114	57.3
146.10918	1.4
147.08047	20.0
147.11673	19.3
149.09590	8.0
149.13271	3.3
151.07530	19.6
151.11154	2.8
153.06969	6.0
153.09001	2.1
154.07726	3.8
155.01056	6.0
155.08533	25.1
156.09351	21.6
157.06627	2.1
157.10109	61.2
158.10907	8.8
159.08089	4.8
159.11673	28.4
161.09605	9.3
161.13255	9.4
163.11197	10.8
165.07022	9.0
165.09100	37.4
166.07823	3.5
167.08549	11.7
167.10663	13.3
168.09305	9.2
169.10106	27.8
169.11461	1.8
170.10881	9.6
171.11682	34.4
172.12524	2.3
173.09598	4.2
173.13242	27.6
174.10318	1.4
175.11206	3.9
175.14851	9.2
178.07852	2.5
179.08549	18.2
180.09329	5.3
181.10094	18.7
181.12244	4.8
182.10899	9.4
183.11667	29.3
183.13133	2.5
184.12466	7.0
184.69266	1.4
185.09621	2.0
185.13255	20.6
187.11163	2.8
187.14844	8.1
189.12793	5.6
189.16377	1.5
191.14268	9.7
192.09325	4.7
193.10143	19.3
194.10895	13.6
195.11688	23.5
196.12521	6.3
197.13232	22.5
198.13965	2.1
199.11255	1.9
199.14807	19.0
201.12807	3.1
201.16391	3.2
203.08533	3.1
203.14316	16.6
205.10196	6.5
205.15863	3.4
206.10925	7.8
207.11707	20.7
207.13853	12.0
208.12469	8.3
209.13264	29.2
209.15256	3.3
210.14000	3.7
211.11208	1.6
211.14746	14.1
212.15562	2.2
213.12727	2.4
213.16412	4.2
215.14383	3.9
216.09274	1.6
217.10188	3.6
217.15874	11.3
218.10893	3.4
219.11703	9.7
220.12459	7.8
221.13272	20.2
221.15402	73.8
222.14035	4.6
223.14786	17.5
224.15651	2.5
225.12730	2.6
225.16368	8.2
227.17986	1.8
229.10170	1.9
229.15869	2.4
230.10851	2.4
231.11745	7.3
231.13721	1.8
231.17499	3.2
232.12527	5.7
233.13254	12.7
233.15433	4.7
234.14050	6.2
234.24455	1.4
235.14799	15.8
236.15645	3.5
237.12782	3.0
237.16327	8.7
238.17238	1.6
239.14490	1.5
239.17984	3.4
241.19287	1.7
243.11760	3.4
243.17355	2.2
244.12360	3.5
245.13336	7.5
245.19043	1.4
246.14087	6.1
247.14844	10.4
247.17053	2.7
248.15631	3.1
249.16409	10.8
250.17149	3.6
251.14616	1.8
251.17928	6.5
253.19559	2.6
255.17516	2.6
257.13019	2.3
257.15646	1.4
257.18970	8.2
258.14120	2.7
259.14804	5.0
260.15738	5.3
261.16336	11.6
262.17233	3.4
263.17972	7.6
264.18689	2.1
265.16382	1.5
265.19559	8.7
268.27295	1.5
269.19077	4.1
271.14700	2.4
271.20560	3.5
273.16058	3.1
273.18936	7.3
274.17053	1.7
275.17697	11.4
275.20560	2.4
277.19522	3.7
279.21051	2.6
281.19040	2.5
283.20526	18.5
285.16019	2.0
285.18881	1.6
286.19571	1.6
287.17575	2.7
287.20358	3.6
288.18594	2.2
289.19504	4.8
291.21085	2.1
293.18857	2.3
295.20523	4.3
297.16431	2.3
297.22208	5.6
299.17654	2.1
300.20770	2.5
301.19159	2.6
303.20996	2.4
307.20465	2.3
309.22107	2.1
309.90463	1.5
315.21097	3.3
317.22488	1.9
319.20596	2.0
329.22388	2.0
331.24313	6.0
333.21902	1.7
335.23810	2.2
341.30643	2.4
347.23950	2.6
349.25143	9.0
352.23682	2.5
357.25714	3.6
359.23734	2.2
361.25278	2.1
365.24948	2.6
375.26895	8.2
403.29993	9.1
473.33633	1.5
491.35147	6.6
503.35211	5.7
509.34567	2.4
547.39404	3.0
565.40509	21.8
583.41406	100.0
584.41522	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.414
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29652	2.6
53.03940	5.6
55.05507	22.7
57.07072	38.0
59.04989	7.9
65.03937	4.9
65.07606	2.2
67.05503	29.1
69.03423	10.0
69.07066	23.4
69.41042	28.1
71.08623	18.9
73.06544	3.1
79.05492	34.6
81.07047	45.1
83.04975	11.5
83.08631	14.8
85.06539	7.3
85.10169	15.8
87.04464	4.3
89.06028	30.6
91.05471	55.6
91.15716	2.2
93.07039	76.0
93.07584	4.9
95.04972	16.3
95.08601	45.0
96.08945	2.7
97.06524	8.6
99.11682	3.4
103.05462	4.0
105.07023	94.8
107.04951	4.1
107.08593	60.6
109.06496	12.1
109.10160	28.6
113.09727	3.1
115.05460	9.0
116.06255	2.4
117.07012	23.3
119.08575	100.0
119.09417	4.9
121.06503	6.9
121.10139	70.4
121.10981	5.3
123.08063	19.3
123.11717	9.5
125.09612	6.3
128.06216	12.5
129.06976	24.8
130.07802	10.3
131.07074	2.6
131.08546	43.4
133.06538	3.5
133.08597	20.9
133.10118	50.1
135.08087	10.4
135.11690	23.4
137.09625	9.7
139.11191	4.5
141.07007	9.9
142.07790	33.9
143.08565	50.4
144.09329	9.2
145.06432	3.0
145.10121	58.2
146.10622	2.7
147.08084	8.2
147.11668	23.6
149.09622	15.4
149.13254	3.7
151.07550	5.9
153.07013	5.5
155.08554	22.8
156.09305	20.0
157.10117	71.2
158.10876	11.2
159.08080	7.8
159.11681	35.8
161.09636	6.0
161.13277	9.3
163.11197	9.3
165.07018	7.8
165.09114	16.3
165.12825	2.9
166.07796	3.8
166.46033	2.8
167.08617	12.3
167.10681	48.9
168.09357	10.7
168.91599	2.7
169.10136	33.9
170.10927	9.3
171.11679	37.2
172.12260	3.6
173.09660	2.6
173.13246	32.3
175.11220	4.9
175.14854	12.7
177.11214	4.7
178.07874	3.5
179.08479	17.6
180.09340	10.5
181.10201	17.0
181.12270	7.5
182.10861	9.0
183.11681	35.2
184.12468	9.7
185.13284	19.6
187.11113	4.2
187.14844	8.2
189.12782	7.6
189.16341	3.4
191.08543	5.0
191.14339	11.3
192.09335	7.0
193.10150	16.1
193.11758	2.7
194.10896	16.0
195.11691	27.8
196.12509	7.8
197.09651	2.9
197.13252	25.0
199.11197	4.1
199.14844	23.4
201.12749	3.1
201.16400	7.1
203.08412	3.4
203.14394	9.5
205.10181	4.6
206.10980	10.4
207.11697	21.1
207.13667	5.1
208.12404	7.4
209.13248	35.7
210.13953	5.1
211.14772	14.0
213.12912	3.0
213.16409	5.2
215.14220	5.2
217.10100	5.1
217.15845	22.5
218.10841	4.2
219.11729	10.0
220.12485	8.7
221.13263	21.2
221.15425	33.1
222.13947	4.0
223.11327	2.6
223.14783	18.7
225.16394	7.4
227.18114	2.8
231.11662	6.9
232.12552	3.3
233.13275	8.7
233.15442	19.8
234.14006	2.7
235.14786	14.0
237.16391	7.8
239.17874	3.4
243.11656	5.9
244.12405	3.5
245.13283	6.7
246.14099	6.9
247.14783	12.7
247.17122	3.4
248.15665	3.7
249.16490	9.1
250.16986	2.9
251.18039	9.6
257.19080	8.1
258.14041	3.3
259.14835	6.7
260.15585	6.6
261.16428	9.8
263.17905	7.0
265.19604	8.3
269.19058	4.8
273.16299	7.5
274.17056	3.4
275.18002	10.1
277.19360	6.0
283.20529	12.5
287.20383	3.6
289.19684	4.5
293.19019	3.4
295.20731	2.8
299.20337	4.5
305.18973	3.2
307.20505	3.5
331.24454	4.5
349.25247	6.4
359.23755	2.7
361.25439	3.5
365.24838	3.1
375.26880	5.8
403.29614	2.8
491.35016	7.2
547.39502	5.1
565.40289	16.3
583.41382	81.1
584.41718	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	583.4138
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55964	10.6
53.69836	10.6
57.07062	19.4
67.05488	29.4
69.07060	14.5
70.60252	11.7
71.56290	19.9
79.05473	18.7
91.05457	25.1
93.07025	31.4
95.08590	48.0
98.98446	37.8
105.07013	40.2
107.08579	22.9
117.06969	12.3
119.08530	37.0
121.10109	35.7
123.08026	28.8
123.11653	12.1
131.08562	25.4
133.10117	26.6
137.09557	15.1
141.07007	11.5
142.07741	12.1
143.08549	17.1
145.10095	14.5
147.08041	24.5
151.07536	35.2
155.01006	44.3
155.08580	13.2
156.09308	18.0
157.10097	33.2
159.11618	13.0
163.11151	16.3
165.09062	49.0
171.11540	17.0
173.13271	22.6
181.10010	13.9
183.11697	16.7
185.13286	20.6
192.09071	11.4
197.13272	20.9
203.14284	34.1
219.17415	28.5
221.13541	13.4
221.15349	80.5
270.02020	11.0
341.30612	25.7
355.23529	11.6
365.24521	13.7
393.56387	13.7
394.76477	12.0
403.29709	17.8
565.40308	32.1
583.41644	100.0
584.56488	14.2
610.79486	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	583.4138
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.2
55.05507	13.4
57.07064	10.1
59.04988	2.9
64.51542	1.5
65.03926	4.4
67.05495	22.6
69.03414	6.2
69.06467	1.5
69.07056	19.3
69.44355	16.4
79.05486	21.6
79.12827	1.4
81.07046	32.3
83.04976	6.0
83.08596	7.9
85.06534	5.2
91.05466	38.0
92.50642	1.4
93.07030	46.0
95.04948	10.8
95.08593	28.9
97.06502	7.2
97.10159	2.9
98.98519	1.6
99.31026	1.3
103.05466	5.2
104.06165	1.4
105.07013	64.3
107.08572	41.8
107.66628	1.4
109.06519	9.6
109.10138	20.1
111.08083	3.8
111.11713	1.4
115.05457	4.3
117.07004	13.3
119.08562	69.7
121.06499	4.4
121.09254	3.1
121.10127	50.8
123.08067	14.5
123.11697	6.4
125.05941	3.4
125.09636	3.2
128.06236	7.4
129.07001	12.8
130.07758	4.9
131.08542	26.0
133.06500	3.0
133.10110	38.5
135.08009	8.8
135.11684	14.1
135.58192	1.3
137.09608	9.7
139.11191	3.8
139.50175	1.5
141.06975	7.6
142.07750	21.4
143.08545	29.8
144.09349	6.8
145.10101	49.6
145.11209	3.0
147.08049	10.7
147.11653	12.1
149.09610	10.8
149.13239	4.4
151.07495	10.1
151.11163	2.9
153.07014	4.0
154.07828	1.7
155.01060	2.3
155.08533	12.2
155.10638	1.9
156.09335	19.1
157.10104	42.7
158.10902	7.3
159.08064	4.6
159.11668	24.7
161.09619	4.6
161.13258	6.2
163.11139	8.4
165.06992	5.8
165.09097	17.0
166.07808	2.4
167.08540	8.8
167.10649	35.3
168.09364	6.5
169.10110	28.9
169.11465	2.0
170.10881	7.9
171.08037	1.6
171.11653	25.7
171.13022	1.9
172.12434	1.9
173.09666	2.3
173.13234	24.3
175.11133	4.2
175.14789	8.7
178.07741	2.2
179.08525	12.5
179.09938	1.5
179.10712	1.6
180.09373	5.3
181.10086	15.3
181.12259	6.6
182.10902	8.6
183.11674	21.2
184.12413	4.8
185.09695	2.1
185.13243	16.2
187.14868	7.2
189.12614	7.2
189.16417	1.8
191.08630	1.8
191.14325	7.6
192.09308	4.2
193.10129	12.7
193.16046	1.6
194.10818	11.6
195.11667	19.0
196.12477	4.1
197.13254	23.5
199.14815	16.4
201.12852	2.5
201.16371	4.4
203.14293	8.8
205.10155	4.3
206.10878	6.7
207.11713	16.2
207.13832	9.3
208.12363	7.5
209.13248	22.2
209.15259	2.5
210.10521	1.6
210.13956	4.3
211.11073	1.8
211.14806	11.2
213.12798	3.7
213.16367	4.9
215.14363	4.3
217.10127	2.2
217.15794	8.7
219.11670	6.5
219.17520	2.5
220.12466	6.4
221.13258	16.0
221.15393	24.4
222.14041	4.4
223.14757	13.9
224.15576	3.3
225.12779	3.2
225.16325	7.5
227.14383	2.8
229.15787	1.6
230.10905	3.1
231.11720	4.1
231.17365	1.8
232.12395	3.0
233.13219	7.9
233.15393	13.9
234.13997	4.5
235.11098	1.6
235.14793	10.6
236.15675	1.7
237.12680	1.8
237.16418	6.6
239.18056	2.6
243.11754	3.5
243.17491	2.9
244.12479	2.0
245.13301	6.0
246.14005	3.8
247.14703	8.7
247.17090	2.1
248.15596	3.3
249.16373	8.2
250.17192	3.0
251.17996	5.8
253.19507	2.2
257.13242	3.2
257.19016	5.6
259.14822	5.8
260.15494	3.4
261.16418	8.4
263.17938	7.2
265.19559	6.3
267.17261	1.8
269.19040	4.0
271.14868	2.3
273.16431	5.2
275.17944	9.0
276.18610	1.5
277.19528	6.2
279.17770	1.8
279.21136	2.0
281.19070	2.1
283.20511	11.4
285.16150	3.4
285.18912	3.1
287.17892	4.3
289.19635	4.0
291.21106	1.8
293.19073	2.5
295.20566	3.8
297.22153	1.9
299.20233	2.9
301.19254	2.8
303.20969	2.9
307.20593	1.9
309.22046	1.8
315.21088	3.4
317.22708	3.6
327.21143	1.8
331.24231	5.0
333.22025	1.8
335.23846	2.3
341.30664	1.9
347.23611	2.9
349.25043	7.4
351.23093	1.9
355.24362	2.0
361.25354	2.3
365.24704	2.8
375.27090	3.3
403.29871	6.4
448.29129	1.6
503.35165	2.9
509.34311	3.1
547.39319	3.5
565.40289	23.0
583.41394	100.0
584.41650	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	583.414
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.5
55.01857	2.7
55.05510	18.8
57.07060	12.3
59.05001	7.0
61.66884	2.0
62.30344	2.2
65.03938	4.8
67.05498	35.7
69.03428	10.4
69.07063	22.4
71.08618	2.3
71.75623	4.1
74.35428	2.0
79.05481	27.2
81.07045	34.6
83.04980	8.7
83.08616	10.2
85.06544	8.2
91.05472	57.4
93.07036	67.7
95.04963	14.2
95.08597	35.7
97.06525	7.8
97.09465	2.1
98.98460	4.4
103.05464	3.5
103.11874	2.4
105.07021	83.5
105.07713	4.7
107.08584	57.0
109.06506	10.9
109.10159	24.2
109.73475	2.7
115.05428	5.5
116.06235	2.7
117.07002	17.1
119.08565	100.0
120.09372	2.3
121.06457	5.2
121.10139	52.6
121.10970	3.7
123.08057	21.4
123.11689	6.0
125.05981	6.4
125.09634	4.5
128.06213	15.5
129.06979	25.2
130.07828	6.7
131.08551	44.0
133.06473	4.9
133.10130	48.7
135.08011	12.6
135.11703	15.5
137.06023	4.3
137.09604	14.3
139.11189	4.3
141.07021	10.0
142.07761	25.4
143.08556	49.8
144.09340	8.8
145.10110	61.2
146.10867	2.7
147.08026	22.2
147.11641	19.6
149.09637	7.4
149.13257	3.8
151.07512	19.0
153.07028	5.2
154.07782	6.8
155.01056	5.2
155.08531	25.9
156.09334	20.7
156.10429	3.2
157.10121	73.7
158.10892	12.2
159.08124	3.4
159.11687	30.6
160.12514	2.7
161.09705	5.8
161.13254	9.8
163.11191	9.5
165.07010	9.1
165.09103	40.1
167.08542	16.3
167.10638	13.5
168.09401	9.5
169.10101	33.1
170.10803	11.2
171.11665	40.8
172.12454	3.0
173.09653	2.7
173.13214	27.5
175.11206	4.9
175.14871	10.2
177.12686	2.8
178.07765	4.5
179.08537	19.3
180.09421	8.0
181.10091	20.7
181.12227	7.3
182.10905	11.1
183.11684	34.1
184.12532	7.8
185.13234	22.9
187.11198	3.0
187.14857	6.7
189.12790	6.6
191.08557	2.6
191.14297	14.6
192.09349	7.0
193.10095	18.2
194.10881	16.5
195.11662	30.8
196.12508	7.7
197.13234	23.1
198.14072	2.6
199.11166	3.2
199.14821	20.7
203.08655	3.0
203.14279	13.6
205.10196	7.1
205.15907	2.6
206.10980	8.6
207.11731	28.1
207.13869	7.2
208.12428	11.0
209.13234	34.2
210.13979	4.3
211.11183	2.6
211.14780	12.0
213.16414	6.1
215.14409	4.1
217.10246	5.0
217.15828	13.7
218.11049	3.8
219.11684	13.3
220.12566	8.0
221.13284	21.4
221.15416	74.1
222.14043	4.3
223.11192	3.2
223.14827	21.8
225.12766	3.4
225.16451	7.7
227.14394	3.4
230.10925	3.1
231.11784	7.3
231.17413	3.9
232.12357	4.8
233.13298	13.0
233.15411	5.6
234.14116	7.3
235.14815	11.4
235.16971	3.0
237.16441	9.8
239.14380	4.2
239.17989	8.3
243.11848	2.7
245.13283	9.2
246.14012	6.2
247.14760	13.6
248.15602	4.6
249.16364	13.6
251.17929	7.8
257.19025	9.1
259.14835	8.7
260.15656	6.3
261.16336	11.2
263.17987	8.7
265.19537	10.6
269.13132	3.4
269.19073	4.4
271.14825	5.0
271.20319	3.3
273.16443	6.3
275.17844	17.2
275.97000	2.6
277.19388	6.1
283.14905	3.2
283.20502	17.2
285.16019	3.2
287.20325	4.6
289.19565	7.8
293.19098	3.9
295.20563	3.7
297.22070	4.4
299.17743	4.5
303.21167	3.3
315.21069	3.7
331.24377	7.5
333.22238	4.3
335.23764	3.7
341.30289	2.7
349.25284	11.0
365.24799	2.7
373.25098	2.9
375.26862	9.0
403.29941	6.5
481.34601	2.6
491.35260	9.4
503.35281	6.3
509.34601	3.1
539.34839	2.4
547.39368	2.8
565.40540	23.6
583.41455	98.2
584.42010	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	583.4139
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33595	1.5
53.03939	5.0
55.05505	15.5
57.07068	14.6
59.04982	5.0
61.30321	1.7
64.74540	1.7
65.03922	6.2
67.05492	25.3
69.03416	8.2
69.07053	20.3
69.55831	5.6
69.56254	9.8
79.05482	29.3
81.06589	1.3
81.07043	38.6
83.04971	10.0
83.08607	11.3
85.06516	8.7
87.06153	1.6
91.05465	54.4
93.07030	65.8
95.04957	14.8
95.08591	46.2
97.06507	5.4
98.20686	3.6
98.21275	6.1
103.05434	5.2
103.47893	1.9
105.07018	90.3
107.08580	51.0
107.26384	1.7
109.06474	9.8
109.10146	20.8
111.08051	3.7
113.09631	2.6
115.05449	7.6
116.06220	1.8
117.07007	21.1
119.08566	95.0
121.06482	7.2
121.10127	49.8
123.08055	22.2
123.11695	8.1
125.05993	4.8
125.09619	3.1
128.06198	13.3
129.06990	17.1
130.07782	6.0
131.08540	38.7
133.06488	3.5
133.10112	53.1
135.08049	10.2
135.11679	14.1
137.09608	16.2
139.11180	2.7
141.06941	14.0
142.07748	29.0
143.08542	47.3
144.09332	8.7
145.10098	62.9
147.08041	19.2
147.11693	17.7
149.09566	10.2
149.13304	2.8
151.07518	16.9
153.06981	5.1
154.07742	3.8
155.08545	21.7
156.09311	23.2
157.10107	67.1
158.10910	9.8
159.08032	4.8
159.11679	33.9
161.09644	5.0
161.13252	11.5
163.11206	7.9
165.07025	9.6
165.09093	44.5
167.08578	11.2
167.10672	11.7
168.09328	10.1
169.10110	32.7
170.10924	10.1
171.11659	34.7
172.12386	3.1
173.09624	3.3
173.13226	26.9
175.11215	4.2
175.14864	11.5
177.12669	2.0
178.07826	2.1
179.08556	17.3
180.09331	7.3
181.10139	20.1
181.12282	5.6
182.10867	8.9
183.11668	34.7
184.12460	8.3
185.13243	21.2
187.11180	3.8
187.14832	7.5
189.12794	6.3
191.14304	8.7
192.09320	7.6
193.10085	16.8
194.10878	14.3
195.11674	25.6
195.13571	2.5
196.12480	7.5
197.13205	23.1
198.13911	2.6
199.11221	2.9
199.14780	16.9
201.12715	3.4
201.16396	3.8
203.08536	2.4
203.14296	20.4
205.10158	6.0
205.15712	2.1
206.10931	9.3
207.11694	23.6
207.13809	9.9
208.12396	10.7
209.13237	35.5
209.15225	3.7
210.14026	5.1
211.11205	2.3
211.14787	14.2
213.12798	2.8
213.16402	6.7
215.14330	4.4
216.09354	2.9
217.10165	4.2
217.15843	10.8
218.10985	2.7
219.11745	8.8
220.12471	8.3
221.13258	19.9
221.15388	83.9
222.14056	4.3
223.14807	15.1
224.15575	3.1
225.16344	8.6
227.14305	4.2
230.10902	3.8
231.11708	6.6
231.17357	3.7
232.12459	5.2
233.13249	12.7
233.15382	5.8
234.14055	5.3
235.14799	16.2
236.15491	4.0
237.16302	10.1
239.17995	6.0
241.15900	2.0
243.11642	4.6
244.12270	2.5
245.13246	9.8
246.14088	6.8
247.14786	10.7
247.16870	3.9
248.15526	3.7
249.16402	9.3
250.17200	3.7
251.17923	6.7
251.21658	2.2
253.19519	3.5
255.17445	3.1
257.13165	3.3
257.19025	8.0
259.14734	10.2
260.15567	4.2
261.16342	10.9
263.17953	6.7
265.19440	8.5
267.17514	2.3
269.19092	5.6
271.14789	2.1
271.20554	3.0
272.15375	2.2
273.16388	7.3
274.17081	2.7
275.17755	11.0
276.18741	2.5
277.19519	5.3
281.18976	3.7
283.20474	18.3
285.16229	3.0
286.19415	2.7
287.20285	3.8
288.18924	1.8
289.19537	4.2
290.19861	2.5
291.21082	4.2
293.19003	2.7
295.20453	4.2
297.22226	5.1
299.20126	3.1
300.21039	4.4
301.19272	4.0
302.20566	2.2
303.21069	2.2
307.20520	3.0
317.22687	5.1
331.24188	4.1
335.23599	2.5
347.23618	2.0
349.25204	4.7
357.25739	2.9
359.23697	2.1
361.25281	3.0
365.24881	4.4
375.26892	7.9
401.28830	2.4
403.29929	8.6
437.30304	2.3
491.35397	4.2
503.35287	6.3
525.64148	2.1
547.39276	5.1
565.40466	19.0
583.41394	100.0
584.41400	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	583.3088
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	1.0
59.92445	0.7
67.05478	1.8
69.07035	1.5
70.06578	1.8
70.55850	0.6
70.56174	2.7
71.04974	0.7
72.08139	0.8
74.71172	0.6
79.05464	2.2
81.03436	1.0
81.07038	2.0
84.08125	0.7
85.02900	1.1
91.05458	1.6
93.07030	2.1
95.04955	1.0
95.08566	1.5
105.07044	1.1
106.31093	0.7
107.08595	0.9
109.10155	0.8
116.07114	1.2
119.08566	1.2
133.10156	0.7
167.08792	0.6
215.82289	0.7
259.07736	1.0
276.88840	0.7
315.17941	0.8
331.16989	0.7
333.19034	0.7
421.25519	2.4
499.21307	3.7
544.86694	0.7
583.31250	100.0
584.31396	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.3085
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06270	0.3
58.49566	0.4
67.05492	0.8
69.07072	0.5
69.87215	0.7
69.87623	1.8
74.72523	0.3
79.05486	0.4
81.07056	0.6
85.02881	0.4
95.08585	0.5
98.21456	0.4
102.94228	0.3
105.07035	0.6
107.08624	0.4
119.08621	0.4
121.10120	0.4
125.09580	0.5
145.61130	0.3
155.08635	0.4
172.89374	0.4
185.04193	0.8
196.37277	0.3
207.11707	0.3
209.10800	0.5
225.10393	0.4
259.08002	0.5
297.12384	1.8
312.58658	0.4
331.10126	1.2
333.19009	0.4
337.16290	0.4
347.21045	0.4
421.16452	0.5
421.25488	2.6
427.19760	0.5
441.20856	3.0
499.21542	12.6
583.30957	100.0
584.31445	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2546
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78595	0.8
70.40740	2.6
82.80710	0.8
86.78056	0.8
102.84039	0.8
104.68208	0.8
141.44250	0.8
145.07578	0.9
180.08142	1.0
182.09717	2.5
183.09189	1.7
195.09215	3.8
196.07571	0.9
196.09897	1.5
197.10728	2.2
198.11484	0.9
208.09804	1.0
209.10719	17.4
210.11453	8.5
211.08569	1.6
212.09396	1.1
223.08711	1.1
223.12230	2.1
225.10184	5.4
225.13785	1.2
226.10884	1.5
227.11836	3.5
237.10223	7.2
238.10931	9.3
239.11795	2.2
240.12573	1.0
249.09969	0.8
251.11816	4.9
252.12621	2.1
253.13400	3.4
255.11351	1.7
269.12772	12.5
271.10760	1.5
279.11365	2.8
283.10709	1.5
284.11502	1.5
285.12277	2.2
297.12314	92.8
298.12744	2.7
299.14020	6.1
302.71381	0.9
313.12027	1.1
314.12878	1.0
315.14044	1.1
316.14224	1.6
328.14359	1.8
330.16022	1.4
370.53726	0.9
402.17767	0.9
420.15506	1.1
421.16367	1.4
434.17883	1.0
435.18088	2.4
436.18524	1.4
449.19971	1.5
450.20084	1.8
451.21222	1.2
465.23154	1.8
495.19797	1.2
539.26147	1.2
565.24768	1.5
583.25458	100.0
584.25598	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	583.2549
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	0.6
61.81260	0.6
67.05499	2.1
67.08045	0.5
69.07063	0.9
69.67043	4.0
72.08164	0.7
72.83446	0.6
79.05487	1.3
81.07052	1.8
83.96304	0.6
90.54120	0.5
91.05481	1.7
93.07031	1.0
95.08584	1.2
103.76149	0.6
105.07017	1.4
107.08559	0.9
117.06985	0.8
119.08583	0.8
144.08086	0.8
158.00395	0.6
158.09653	0.8
186.09082	0.7
197.10887	0.8
204.10197	1.6
209.10725	0.6
213.10246	1.9
216.10149	3.3
220.09828	0.8
223.12282	1.5
227.11821	0.8
230.11719	3.4
233.10672	0.7
235.12440	1.6
237.10390	0.7
237.12474	0.9
242.10603	1.3
245.10477	2.5
246.11282	1.0
250.09755	1.1
250.13431	1.6
251.11812	3.6
252.15019	0.6
255.11232	0.8
258.11377	2.1
264.11267	1.3
265.12201	1.7
276.12411	0.9
278.13034	1.6
280.14392	8.0
283.10596	0.8
286.10605	0.9
286.13535	0.7
290.12866	0.7
292.14368	0.8
294.12738	0.8
296.13840	1.6
298.43863	0.6
299.14716	0.6
301.11899	1.3
302.12906	0.7
304.11771	13.3
304.14975	1.1
306.16025	2.7
307.16840	1.1
314.12881	0.8
314.16431	0.7
315.13574	0.9
319.13000	3.6
326.12997	1.0
328.14499	2.5
330.15875	1.2
340.14578	0.9
342.16168	2.8
343.12881	3.1
343.16629	1.4
345.80435	0.6
356.17389	3.4
359.16379	0.8
373.14182	1.4
374.14990	4.6
386.14951	1.1
387.15936	2.9
400.16577	0.8
402.18127	9.9
403.18668	0.9
407.18738	0.7
408.19638	0.7
421.15793	0.9
421.20810	1.3
434.17752	1.0
435.17972	2.2
436.18954	2.2
449.19620	1.6
451.21515	0.7
463.21259	0.7
481.22278	2.9
495.20081	1.0
505.22452	0.7
506.21179	1.3
509.21524	1.8
510.22565	1.6
555.25732	0.8
565.24744	1.7
566.23108	1.0
568.23163	4.7
583.25446	100.0
584.25604	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	583.2491
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03915	1.0
55.05470	0.5
57.03394	1.4
61.02899	0.8
64.22665	0.5
67.05495	2.3
69.03395	1.9
70.02918	0.4
70.06585	3.1
70.46302	0.5
71.04980	7.6
71.74732	1.0
72.08107	0.9
73.02878	0.5
73.03995	0.7
74.02397	1.8
75.04464	0.5
76.03967	0.5
79.05483	22.5
81.03398	1.0
81.07034	1.2
83.04937	1.1
84.04456	0.9
84.08123	2.6
85.02898	10.1
86.02395	0.7
86.09663	1.5
87.04425	0.8
90.86146	0.4
91.05444	1.9
92.42905	0.4
95.04929	0.7
96.08121	12.4
96.25854	0.5
97.02827	1.3
97.06522	0.6
106.05862	0.7
106.06541	8.1
107.04950	8.1
109.02807	0.6
110.07113	1.2
118.06531	3.9
120.08002	0.6
124.07567	0.5
127.03841	0.5
129.10204	1.0
131.04901	0.9
132.06776	2.1
133.07603	15.5
134.05960	0.6
135.09099	1.2
137.02278	1.4
137.05962	0.5
141.06949	0.6
142.08627	4.7
144.06548	0.5
145.07594	4.2
151.08636	9.9
152.07077	0.9
157.10065	1.1
173.07088	7.2
191.08153	3.9
202.81432	0.6
209.09151	1.4
211.12317	3.0
229.13358	5.2
230.11716	1.2
257.12845	3.1
271.35040	0.5
275.13873	89.9
276.14240	1.1
329.11005	0.5
385.08130	0.6
437.19159	100.0
438.19464	1.5
511.11911	0.8
570.36737	0.5
583.24921	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	583.2171
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78682	0.9
53.03932	2.2
53.70330	0.8
55.01873	2.1
58.13941	0.9
60.04496	0.9
65.03933	23.6
67.05493	4.8
70.06580	1.8
70.32024	4.0
71.01311	0.8
79.05481	3.1
81.03364	1.2
82.04186	3.0
84.08141	1.0
85.02892	1.5
86.09701	1.5
91.05470	4.9
93.03387	4.8
95.01334	4.4
95.04951	3.2
97.06541	2.0
98.54504	0.8
103.05441	2.1
105.06997	4.7
107.04939	4.1
108.02094	3.5
110.03658	22.3
110.07164	1.1
111.04434	31.9
115.05444	2.2
118.04201	1.2
119.04933	1.9
120.51955	0.9
121.02859	17.2
121.06514	1.7
122.03577	1.2
123.04383	2.2
125.05981	23.7
128.06212	0.9
129.07018	1.3
131.04918	3.2
133.02827	1.7
133.06461	2.8
135.04405	2.6
137.05954	17.5
138.03084	3.0
141.05441	1.5
143.04961	1.5
144.05692	1.0
145.06451	2.9
146.07303	1.4
147.04369	2.7
147.08006	0.8
149.02286	1.0
149.05936	3.2
151.03900	40.3
151.04997	2.9
151.07550	4.1
153.05457	100.0
158.07269	1.0
159.08015	3.4
161.05936	7.9
162.06616	1.0
163.03943	1.7
163.07452	2.0
165.05576	2.0
165.07001	2.6
167.07014	12.6
167.08351	1.5
169.06369	1.0
174.06927	1.1
175.07515	6.2
177.05493	2.2
178.06258	1.4
178.07770	1.8
179.07028	2.0
179.08530	2.4
181.04951	4.5
181.06448	2.7
182.07315	1.2
183.08054	1.4
187.07544	4.3
189.05476	2.1
190.07750	1.7
191.06998	1.9
191.08563	2.6
193.06479	1.4
194.07202	2.1
194.27615	1.0
195.06494	2.5
195.08078	3.9
197.09581	1.5
198.06808	1.8
199.07518	1.3
202.07753	1.8
203.06970	2.1
205.06483	2.2
205.08507	1.4
207.08034	2.1
208.08833	2.8
209.09718	1.2
210.06787	2.7
211.07567	2.9
213.09119	0.9
216.07840	3.3
217.08548	1.6
218.07268	1.7
219.08049	5.0
220.08762	2.2
221.06024	2.4
221.09575	1.7
222.06766	1.7
223.07422	4.7
223.11023	1.2
224.08359	2.5
225.09138	4.2
226.06268	3.5
229.08568	1.2
231.08141	0.9
233.05893	1.5
233.07903	1.2
234.06696	1.4
235.07530	3.9
236.08325	3.8
237.09099	2.9
239.07002	5.3
239.10709	1.9
241.08496	1.0
247.07567	1.6
247.09689	13.0
248.08289	1.8
249.05376	1.3
249.09094	2.1
250.06342	0.9
250.09789	1.0
251.07007	2.9
251.10703	5.4
252.07771	1.7
253.08647	12.2
254.09290	4.2
255.10077	1.3
261.05469	1.2
263.06824	1.8
264.07742	3.7
265.08582	4.7
266.06198	1.0
266.09119	2.1
267.10162	3.5
269.11731	5.2
275.07077	2.1
276.07803	2.0
277.08563	2.3
279.07166	1.0
279.10107	4.1
280.10782	1.6
281.08060	2.7
281.11566	1.0
282.08801	3.7
283.09628	2.9
289.08737	1.0
291.10040	2.0
293.08188	2.5
294.08994	1.8
295.09698	2.8
296.10382	1.3
297.11182	9.4
299.09204	1.3
299.12570	1.1
307.09586	7.7
309.11121	2.5
310.08154	1.0
311.09119	1.7
311.12610	1.5
319.09674	1.8
321.11063	1.9
323.12689	1.8
325.10672	53.4
326.11285	2.6
327.12286	2.4
337.10663	1.8
339.12265	27.1
340.12802	1.6
341.13846	2.0
351.12198	8.6
355.11691	2.5
357.13300	58.0
369.13287	6.2
370.14023	3.0
387.14233	3.8
583.21191	1.4
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
51.07401	0.3
53.03944	2.5
55.01864	2.1
55.05499	0.7
57.03436	2.5
57.07061	1.3
59.05002	0.3
61.02917	2.1
65.03925	0.4
67.05494	3.4
68.99787	0.7
69.03420	13.1
69.07055	2.4
71.04993	2.0
71.15469	0.7
73.02924	2.5
79.05489	7.1
81.02935	0.5
81.03413	9.0
81.03876	0.6
81.07049	100.0
82.07400	0.6
82.40177	0.3
83.01320	0.7
84.08131	0.3
85.02897	37.7
86.09689	0.4
87.00819	17.3
87.04443	0.4
91.03918	0.8
93.07039	0.8
95.08601	13.7
97.02882	17.6
99.00839	0.4
99.04446	5.8
101.02413	0.5
105.01858	38.1
105.48079	0.3
109.02869	13.9
109.10169	1.2
115.03938	0.5
117.01856	0.7
126.14077	0.3
127.03905	35.1
129.01843	1.3
136.01114	0.3
137.05960	0.9
137.13237	17.0
145.04955	15.1
147.02898	0.9
151.03905	0.4
159.02873	4.0
167.06931	0.4
189.03972	0.9
213.03917	4.3
231.04985	13.4
249.06056	6.0
253.07150	1.2
271.08105	0.8
393.10336	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2017
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.8
55.01863	3.3
56.27608	1.2
57.03441	2.3
61.27723	1.4
65.03929	3.7
68.99805	1.4
69.03421	3.3
69.24772	1.3
70.06583	3.8
70.40781	5.9
77.03834	1.5
79.05474	2.2
81.03380	2.6
85.02905	8.9
91.05471	94.4
95.01318	2.4
95.04967	4.2
97.02900	2.8
103.05513	3.2
105.03385	3.3
105.07020	100.0
109.02874	6.2
112.88083	1.6
115.05457	11.6
121.02879	6.8
129.06982	3.3
131.04922	4.5
133.06483	6.1
135.04347	1.7
137.05939	7.4
139.03899	4.1
143.04915	1.9
147.04411	4.2
151.03911	6.8
157.06468	8.9
159.04488	3.0
161.06007	3.2
163.03868	9.6
167.07076	3.2
167.08580	2.2
175.03923	5.8
175.07570	2.4
177.01952	1.8
177.05496	5.5
179.08549	1.7
181.04948	5.5
187.03963	4.0
191.07050	1.7
192.58945	1.5
193.04971	2.4
201.05412	2.8
203.08662	1.8
205.04919	9.8
205.10068	1.9
207.08119	2.0
209.09476	1.8
213.05446	2.9
217.04921	8.6
219.08226	2.6
221.09624	2.1
223.07346	1.7
229.04950	3.8
235.05923	2.9
241.05022	2.3
247.05789	3.8
249.09024	1.9
253.04947	1.8
257.04373	2.2
259.05994	3.3
261.09085	3.2
265.04770	1.5
265.08627	4.4
271.05832	2.4
271.09653	3.7
273.09265	1.6
277.08575	6.3
283.06674	1.9
283.09613	9.6
289.08630	3.6
291.10068	4.2
295.09570	7.6
301.07248	1.6
301.10825	3.2
303.10175	3.4
307.09589	5.5
309.11160	1.8
311.09250	2.0
313.10730	10.3
315.10046	2.2
319.09641	5.6
321.11169	2.6
325.10696	12.3
331.09637	5.2
335.12891	1.9
337.10669	19.7
343.09247	1.9
349.10657	21.9
357.11154	1.6
361.10712	7.9
363.12427	2.1
367.11752	24.8
373.11014	8.4
379.11755	27.5
387.11749	3.3
391.11658	23.0
397.13080	8.9
403.11530	15.5
409.12924	8.7
415.14044	27.8
421.12671	2.2
427.14136	8.9
433.12897	19.0
445.13138	10.9
446.12720	1.9
451.13806	9.9
457.12943	4.3
463.13806	10.4
469.14871	7.9
475.13873	5.6
481.14938	18.4
493.15033	9.3
511.15665	5.3
520.61664	1.7
529.16797	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	581.3986
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	8.9
55.05500	21.5
56.25094	7.2
57.07075	11.9
61.17181	6.7
67.05501	21.8
69.03422	16.6
69.07081	10.0
71.04990	6.6
71.75706	6.8
71.76115	8.4
79.05492	19.8
81.07059	10.4
83.04977	10.6
83.08613	21.1
91.05481	22.1
93.06991	19.7
95.08604	30.0
97.06526	35.6
105.07020	38.5
107.08541	38.5
109.10130	19.0
113.09635	16.3
117.07050	9.2
119.08565	36.5
121.06463	10.7
121.10110	19.1
123.08054	13.2
125.09622	14.3
128.72447	7.6
129.06996	30.8
131.08580	11.0
133.10117	12.3
142.07765	13.6
143.08578	32.2
144.09341	15.4
145.10098	40.6
147.11687	8.4
155.08539	15.0
155.10667	13.2
156.09303	16.0
157.10165	50.4
159.11716	14.0
165.06966	8.7
168.89629	7.3
169.10146	24.2
171.11671	24.5
173.13278	10.6
179.08577	17.6
181.10078	14.7
181.12180	17.0
182.11011	10.0
183.11696	19.7
185.13303	11.4
193.10168	22.2
194.11121	9.3
195.11732	27.2
197.13321	13.6
206.10835	8.7
207.11693	12.5
209.13237	26.9
211.14691	12.2
219.11775	9.6
221.15297	8.6
223.14810	12.3
225.16368	11.3
233.13094	7.8
235.14900	16.4
237.16364	9.6
245.13129	11.9
246.14044	8.4
247.14748	14.4
251.17978	20.9
259.14807	10.1
269.18881	18.2
277.00928	10.1
299.20175	12.7
312.20850	12.4
395.27249	11.0
413.28406	19.6
450.84198	7.7
563.38525	16.6
581.39856	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.3984
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	7.9
55.01845	8.6
55.05507	71.0
57.03412	5.7
57.07058	12.6
59.04979	5.8
60.24837	2.6
63.21084	2.7
65.03920	3.8
66.14674	2.5
67.05495	50.1
69.03412	19.0
69.07056	44.9
69.50163	30.7
71.04971	11.6
72.93082	2.7
79.05485	35.3
81.03418	4.6
81.06604	3.9
81.07046	54.1
83.04974	29.1
83.08606	85.8
85.06512	10.0
87.04453	4.8
89.85010	2.6
91.05469	59.6
93.07033	60.7
95.04970	19.5
95.08593	71.2
97.06519	55.4
97.10151	9.2
98.98450	67.5
103.05479	3.8
105.07014	94.2
107.08579	80.5
109.02885	3.6
109.06466	5.2
109.10157	35.9
111.08062	10.1
111.11694	3.8
113.09629	25.1
115.05423	6.9
115.92419	3.0
116.06216	3.4
116.99399	3.1
117.06997	25.6
119.08566	95.8
121.06484	7.6
121.10128	56.6
123.08047	25.0
123.11688	8.8
125.09628	26.9
128.06218	20.8
129.06975	25.2
130.07762	11.1
131.08545	43.0
133.08560	2.9
133.10120	46.0
135.08069	4.3
135.11668	21.9
137.09599	11.0
139.11172	32.7
141.06987	11.9
142.07751	41.4
143.08554	57.7
144.09352	11.2
145.06496	6.1
145.10109	63.8
146.14946	2.9
147.07982	4.3
147.11652	19.0
149.09607	15.5
149.13232	8.4
153.06943	10.0
153.12700	10.7
154.07756	9.4
155.01024	75.6
155.08527	32.4
155.10570	18.1
156.09332	26.7
157.10098	79.4
158.10901	10.7
159.08023	11.3
159.11691	25.3
161.09569	9.3
163.11192	4.0
165.06984	17.7
166.07779	4.1
167.08545	19.6
167.10620	3.4
168.09361	14.8
169.10097	43.8
170.10909	14.0
171.11684	37.9
173.09633	7.3
173.13245	30.3
175.11131	3.9
175.14778	6.0
178.07677	4.0
179.08554	32.2
179.14262	7.0
180.09267	11.5
181.10135	30.9
181.12186	30.6
182.10918	13.7
182.76468	2.7
183.11676	38.2
184.12474	7.5
185.09630	5.6
185.13240	23.8
187.14767	5.7
191.08437	3.6
191.14235	6.3
192.09299	9.9
193.10098	27.4
194.10913	25.0
195.11665	39.3
195.13692	7.7
196.12428	9.9
197.13225	19.7
199.14813	25.1
201.12703	3.7
203.08614	3.2
203.14285	4.0
204.09354	3.8
205.10165	9.9
206.10887	14.5
207.11653	32.7
208.12474	12.6
209.13264	43.9
210.13966	6.3
211.14798	15.2
217.10110	8.2
217.15817	14.0
218.10857	7.8
219.11554	15.7
220.12444	12.1
221.13229	26.4
221.15384	17.8
222.14005	6.6
223.14777	19.9
225.12762	4.6
225.16312	8.9
227.14195	3.9
229.10081	3.8
230.10826	5.5
231.11705	11.2
232.12508	6.0
233.13226	19.5
233.15269	5.7
234.14021	9.7
235.14810	23.3
236.15556	3.8
237.12772	4.0
237.16373	11.1
239.14391	3.3
239.17882	5.2
241.10249	3.8
243.11627	11.0
243.17456	5.2
244.12479	7.6
245.13275	13.4
245.15387	4.0
246.13927	8.3
247.14696	15.9
247.17027	3.7
248.15596	8.2
249.16408	10.8
251.18018	7.2
257.13223	4.9
257.19003	6.1
258.14047	6.6
259.14752	15.4
259.17157	3.5
260.15570	5.9
261.16214	15.9
263.17969	8.7
265.19626	6.2
265.25302	11.5
267.17456	3.6
269.13150	5.2
269.18921	3.6
270.13708	3.7
271.14764	9.1
273.16394	11.2
274.16962	4.8
275.17908	9.1
277.16251	4.2
277.19220	4.2
277.71606	2.9
281.13074	3.0
281.19138	4.7
283.14838	4.3
283.20499	16.8
285.15945	6.1
285.18506	8.8
287.17618	5.2
289.16031	2.9
289.19461	6.7
299.20062	11.6
303.20901	7.9
307.20563	7.6
308.39001	2.9
311.20227	6.4
313.19116	5.8
315.20975	6.2
317.06458	5.9
321.22147	4.9
325.19437	5.3
327.21109	4.8
329.22559	4.2
339.20926	7.3
339.28894	52.8
347.23950	3.3
353.26599	7.0
355.27405	5.4
364.24014	4.5
373.25278	5.9
383.25641	10.6
389.24606	3.1
395.27277	10.0
413.28445	11.7
417.28006	3.6
427.30627	3.8
428.26697	3.3
489.33633	4.5
523.35858	4.8
563.38702	13.2
581.39728	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2968
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72187	0.5
55.01877	0.9
55.05507	5.7
56.05029	0.8
57.05815	0.7
60.04523	1.7
61.02919	0.7
65.03931	0.9
67.05502	1.4
69.03411	1.9
69.07057	15.7
70.02959	1.8
70.06589	1.9
70.11512	1.6
70.11928	1.5
71.05012	0.8
72.08147	65.1
73.08474	0.8
79.05480	1.8
81.03437	0.9
81.07068	1.6
83.04987	1.2
83.08595	0.5
85.02892	1.9
86.09698	100.0
91.05466	13.3
93.07044	1.2
95.04963	1.5
95.08614	0.8
97.02879	0.6
97.06541	0.8
103.05440	3.7
105.03387	4.4
105.07021	1.8
106.06533	1.6
107.04947	1.5
107.08592	0.9
109.06511	1.0
109.10159	1.0
112.07600	1.3
114.09158	42.0
115.05446	1.4
117.05769	1.5
117.07001	1.0
118.06529	37.2
119.04952	3.0
119.07316	12.7
119.08570	1.1
120.08098	18.2
121.06468	1.1
123.04413	2.3
127.03912	0.7
129.06992	1.0
130.06551	0.8
131.04950	1.0
131.08546	0.9
133.02821	1.5
133.06454	1.0
134.05992	0.8
136.07564	13.7
137.05969	2.5
141.06882	0.6
141.10251	1.2
142.08620	21.7
146.05991	87.2
147.04376	1.3
147.06308	1.4
149.06009	1.3
161.05925	1.0
162.05475	3.6
163.07539	0.6
165.05466	2.6
167.07013	8.9
167.08521	2.5
169.10059	1.3
171.10371	0.6
171.58224	0.6
173.05936	0.8
174.12758	4.8
181.04938	1.6
181.08560	0.7
182.08070	2.0
184.88559	0.6
186.09148	1.5
186.12723	4.9
188.14330	4.7
191.06946	1.3
191.08531	1.1
193.10216	0.8
195.08026	0.8
200.10686	0.8
203.15407	5.0
204.13864	0.8
211.07683	0.6
214.12213	0.8
217.13354	1.2
219.08049	0.8
221.09679	0.8
223.07516	4.8
228.10173	3.5
231.12582	1.1
231.14899	23.3
236.10687	7.8
245.12825	3.0
247.14345	2.1
253.13286	0.7
254.11720	0.7
259.14407	53.7
260.14636	0.6
261.15897	1.7
264.10333	0.9
265.08505	4.6
270.11148	1.7
272.05972	0.5
275.13867	8.9
282.11182	7.2
287.13873	16.3
295.13351	0.7
295.16483	9.0
299.13950	3.4
311.05524	1.0
321.14410	6.9
327.13464	1.0
372.18454	0.6
372.22812	8.7
383.19656	3.5
385.12872	1.3
395.19601	3.2
400.22318	3.1
407.07605	0.8
412.21954	2.1
422.20602	0.8
440.21844	9.0
443.09396	0.9
468.21167	0.9
504.25247	0.6
527.11786	0.7
581.28442	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	581.2598
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01841	0.7
65.15898	0.6
68.05024	26.2
69.05806	43.6
70.06590	12.2
70.64167	0.6
71.06934	0.8
71.74823	0.7
71.75254	0.7
72.08134	1.6
75.32743	0.6
80.81456	0.6
83.91451	0.6
84.04479	1.0
84.08151	1.7
86.09699	19.5
93.07027	2.1
96.04507	2.1
100.11240	0.7
103.05458	6.7
105.07047	1.0
120.08092	61.4
124.12958	0.7
131.04900	2.0
132.10201	5.6
136.07736	0.8
137.05980	5.1
145.06467	6.5
146.07246	1.3
151.07381	0.7
153.13849	0.8
157.06516	3.9
158.07268	2.2
159.08116	0.9
161.05997	1.0
167.06990	2.0
169.06329	0.7
173.05937	1.8
174.09134	7.9
175.07458	0.7
175.09901	6.7
184.07574	1.0
185.05930	2.0
195.02983	0.8
200.07092	1.6
202.08583	3.1
227.14066	1.0
229.05038	0.8
246.07617	15.3
258.07629	6.4
275.10242	33.3
332.04880	0.7
388.18591	2.7
422.16998	11.6
434.19196	100.0
435.19473	1.8
450.16611	4.9
478.24734	0.7
537.19550	2.1
581.19116	1.6
581.26160	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	581.259
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.4
54.93248	1.4
55.01854	1.9
55.05515	2.9
57.03423	1.9
65.05083	1.6
67.05505	2.3
69.03429	5.4
69.07060	4.6
70.06582	5.3
79.05487	2.0
81.03394	8.5
81.07055	6.2
83.08623	3.5
85.02470	1.4
85.02886	10.7
85.35758	1.5
86.09687	3.6
87.00824	6.7
90.84102	1.3
91.05450	7.3
93.07047	7.7
95.08588	5.6
97.02872	6.3
99.04449	2.3
100.11252	6.5
103.05449	4.2
105.01836	7.5
105.07024	9.4
107.04981	2.2
107.08576	4.4
109.02870	5.9
109.10130	4.0
111.04442	3.3
115.05451	2.0
117.06979	2.3
119.08566	4.3
120.08112	2.5
121.06493	2.4
121.10127	2.1
123.08069	1.7
123.94018	1.4
127.03902	9.8
129.06911	3.4
131.04932	8.4
131.08603	3.8
133.06509	1.9
133.10106	2.9
135.08101	1.7
135.11700	1.7
137.05954	11.7
142.12247	5.7
143.08557	4.8
145.06415	3.3
145.10109	5.2
147.08047	4.1
147.11655	2.4
149.05905	2.0
151.07576	1.8
157.10126	4.6
159.11661	5.4
161.05956	2.7
161.09604	2.2
163.07524	5.6
166.94867	1.5
167.07054	7.6
168.13884	3.9
169.10097	3.8
171.11658	5.0
173.09555	2.2
173.13319	1.7
181.04987	2.8
181.10106	3.0
182.15404	3.4
183.11682	2.5
185.13248	6.7
187.11212	4.5
195.11696	11.8
197.13382	2.4
199.11148	1.9
199.14842	4.0
209.13164	3.6
209.16483	2.6
210.14305	2.2
211.14833	3.2
211.42270	1.4
213.16301	1.6
225.16441	1.7
227.14325	2.4
227.17947	5.2
231.04977	2.3
241.19566	5.1
251.17958	13.6
267.06686	1.7
269.18961	100.0
270.19141	1.8
287.20026	4.4
297.18497	6.5
315.19568	17.4
333.20599	1.6
580.44165	4.2
581.44397	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	581.2012
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98037	1.1
55.01865	8.1
58.82145	1.1
62.52403	1.1
65.03934	17.7
67.05501	2.5
70.06580	1.2
70.54391	1.0
71.01337	1.5
71.74714	1.4
72.08113	1.5
77.33611	1.1
79.05475	3.0
82.04179	1.9
84.08154	1.1
85.02912	1.7
91.05445	1.4
93.03408	3.3
95.01341	3.1
95.04958	5.1
97.06493	1.2
101.43386	1.1
103.05451	1.9
105.07036	1.4
107.04958	5.7
107.82780	1.2
108.01279	1.0
108.02087	3.8
110.03647	16.9
111.04436	25.4
115.05447	2.5
120.05669	1.2
121.02855	17.1
121.06465	1.3
123.04454	1.4
125.05987	21.7
131.04939	3.2
133.02811	1.3
135.04408	3.2
137.05971	4.7
138.03105	2.4
141.05484	1.4
145.06502	3.1
147.04391	2.2
149.05997	1.4
150.06841	1.2
151.03903	52.8
151.04976	3.3
151.07521	2.2
153.05452	84.5
159.04378	1.3
161.05968	2.6
163.03923	1.8
165.05537	2.6
165.07024	3.5
167.07063	6.9
173.06009	3.8
174.06746	2.6
175.07558	3.1
177.05473	2.7
178.06250	4.1
178.07762	4.7
179.08607	2.1
181.05067	1.3
181.06506	5.1
185.05959	2.4
186.52469	1.2
187.07439	1.5
189.07002	2.6
191.07057	1.6
191.08609	1.7
194.07263	3.2
195.06508	1.8
195.08043	3.0
196.07225	1.4
196.08881	1.3
201.05467	2.3
202.06099	1.5
203.07082	2.2
205.04865	2.7
205.06558	3.1
206.07315	5.8
207.08012	7.4
208.08861	1.6
209.05984	2.2
210.06805	1.7
215.06978	2.3
218.07275	2.9
219.08055	2.0
221.06046	3.1
221.09593	2.9
222.06573	1.6
223.07523	5.0
224.08284	5.3
225.09050	1.8
234.06746	5.8
235.07491	6.1
236.08344	3.5
237.05513	1.3
237.09142	4.0
237.76337	1.5
239.07028	1.9
241.08748	1.3
245.08057	10.8
247.07448	2.6
249.05441	3.1
249.09030	6.6
250.06085	1.2
251.06967	4.3
252.07814	19.2
253.08655	5.1
262.06366	1.4
263.07007	5.2
264.07819	3.4
265.08545	4.4
266.09488	2.6
267.10168	9.4
277.08649	6.5
279.06552	2.9
279.10004	1.7
280.07330	6.7
281.07990	5.8
283.09656	1.4
290.09198	1.5
291.06534	1.5
292.07187	3.0
293.08069	4.5
295.09592	18.5
296.10355	2.4
297.07581	1.9
297.10855	1.2
305.08060	2.5
306.08606	1.3
307.09521	2.2
308.06879	1.5
309.07617	2.8
309.10965	1.6
311.09473	1.4
312.10068	2.3
323.09128	78.9
324.09912	2.2
325.10666	3.7
327.12207	2.8
335.08920	3.0
337.10699	3.5
339.12183	4.1
349.10394	1.5
353.10211	5.5
355.11737	100.0
367.11755	13.4
368.12534	2.1
382.54440	1.2
385.12823	2.8
500.81473	1.3
590.43756	1.2
594.45398	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.1497
Annotation	Neocarlinoside
Peak:m/z	Relative Intensity
51.20861	1.6
55.01865	2.9
62.65096	1.7
68.99774	2.0
69.03423	3.5
69.67293	12.7
84.08163	2.3
85.02857	3.2
87.04444	2.9
91.48696	1.7
107.04921	3.7
107.28002	1.5
115.60636	1.6
120.52801	2.0
121.02844	2.7
134.59491	1.4
135.04419	10.3
137.02327	19.2
153.01840	6.1
160.50008	1.5
161.02319	4.0
165.01848	2.7
177.01923	3.2
179.03387	3.0
187.03922	3.2
189.01779	7.1
191.03397	3.3
194.97092	1.5
195.02840	6.9
195.04515	1.6
203.03413	15.6
205.04948	1.8
207.02893	6.1
209.04384	2.0
215.03383	7.3
215.06992	1.6
217.04947	4.2
219.02832	4.4
221.04407	5.8
229.05051	2.1
231.02863	2.4
233.04411	3.4
243.02924	3.7
245.04414	2.7
261.03946	3.2
283.05948	5.5
284.06546	4.2
285.06763	2.7
287.05469	100.0
288.05676	3.3
295.05966	5.6
296.06400	1.9
297.07404	3.3
299.05463	13.7
308.06680	2.2
309.07419	6.6
310.04681	7.5
311.05423	55.3
311.08105	2.6
312.06174	5.1
313.07101	10.4
313.11807	5.3
314.07349	2.3
315.07672	4.7
321.07681	2.5
323.05411	41.9
323.08640	2.8
324.06168	8.4
325.06985	19.3
327.04999	2.9
329.06543	4.0
333.07501	5.4
335.05411	5.0
336.06207	6.4
337.06973	34.5
338.07724	5.6
339.04834	4.5
339.08517	8.0
341.06494	41.5
342.07037	2.4
345.07901	3.0
349.06961	22.8
350.07870	2.1
351.04858	3.6
351.08597	8.9
352.05643	3.3
353.06476	32.6
355.08109	2.4
357.05945	2.6
361.06885	4.6
363.08594	8.1
365.06473	30.4
365.10675	3.6
366.07184	3.9
367.08109	15.2
369.05923	7.0
373.13959	6.4
377.06500	28.8
377.10785	1.5
379.08075	16.2
381.05704	8.2
381.10031	2.9
383.07501	9.0
389.05975	8.3
391.08340	9.0
393.05957	6.7
395.07462	31.7
405.05765	3.5
406.06970	2.1
407.07471	43.9
409.09042	6.4
411.06982	3.3
413.08261	9.7
417.10181	4.7
419.07602	4.5
419.12534	2.8
421.08911	3.1
423.07101	7.2
425.08649	33.7
431.09476	3.8
433.10229	2.8
435.06421	2.7
435.11514	6.8
437.08624	12.0
441.07877	4.4
443.09604	17.2
445.09146	3.2
449.09216	2.3
451.10138	3.3
455.09689	17.2
459.09003	3.3
461.08115	2.8
463.10049	3.7
467.10287	2.2
473.10165	6.9
479.09662	8.2
483.09030	2.2
485.10165	2.1
491.09882	16.8
497.10623	28.6
499.12473	2.3
509.10724	47.5
510.11044	3.6
515.11707	7.2
527.11816	72.8
545.12872	50.6
549.17218	3.3
557.95142	1.8
563.14044	8.3
581.16559	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	581.1496
Annotation	Lucenin 3
Peak:m/z	Relative Intensity
50.53772	2.5
55.01860	8.5
57.03422	4.0
61.02919	4.3
68.99794	3.0
69.03444	3.7
69.49745	3.5
69.50150	20.4
70.06590	3.3
81.03406	2.2
85.02876	6.7
93.03400	3.5
97.02915	4.1
107.04994	4.0
109.02859	5.3
121.02884	5.2
135.04378	13.4
137.02332	46.7
137.03369	4.8
147.04393	2.5
149.02319	3.8
159.04326	3.0
161.02336	10.2
161.05881	3.6
163.03824	2.6
165.01799	6.4
173.02451	2.5
175.03896	3.0
177.01872	5.6
179.03418	5.6
183.02914	3.0
187.03923	4.2
189.01851	14.5
191.03389	10.3
195.02855	14.4
203.03404	24.4
205.04944	4.3
207.02934	11.5
208.03696	2.5
213.01877	2.6
215.03345	9.2
217.04971	9.0
219.02922	5.9
221.04420	9.9
227.03358	4.7
229.04962	5.5
231.02818	4.1
233.04443	3.4
243.02881	3.8
245.04440	5.2
255.02832	3.4
271.05905	4.3
283.06003	7.4
284.06766	8.9
285.03964	3.2
287.05612	3.8
295.06046	7.8
296.06808	2.7
297.04633	2.6
297.07632	10.6
299.05472	43.8
300.06107	6.6
307.06046	5.1
309.07605	9.5
310.04675	19.8
311.05469	100.0
311.08694	3.7
312.06067	9.8
313.07062	15.8
321.07593	6.7
323.05472	71.6
323.08920	4.1
324.06265	23.3
324.09988	3.2
325.07056	29.8
329.06528	28.3
333.07434	5.3
335.05365	8.6
336.06271	9.7
337.07028	73.1
338.07666	12.9
339.04910	2.9
339.08554	7.2
341.06516	74.8
349.07025	25.0
350.07867	5.0
351.08569	25.9
352.05658	7.7
353.06540	75.7
354.07037	2.7
355.08160	7.1
361.07175	11.7
363.08612	10.6
365.06500	73.2
366.07010	5.1
367.08185	30.4
371.07526	11.4
375.08615	4.7
377.06519	29.1
378.07123	2.7
379.08060	26.5
383.07556	47.2
389.06293	15.5
391.08127	13.5
395.07584	89.4
401.08661	19.5
403.08093	10.3
405.09686	4.5
407.07532	56.3
409.09198	3.3
413.08524	30.2
419.07300	17.2
421.09061	5.7
425.08646	87.1
426.09155	5.7
431.08423	12.5
437.08868	14.1
443.09717	98.8
443.15918	5.0
444.10123	3.7
445.09018	5.5
449.08585	19.6
455.09552	10.2
461.10367	18.2
463.10144	3.4
467.09766	16.6
473.10748	20.5
479.09573	10.7
485.10681	21.7
491.09579	15.2
497.10684	42.6
509.10822	27.5
515.11768	33.4
527.11792	76.6
528.11945	3.2
545.12909	44.9
563.13916	18.5
581.15045	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	581.1492
Annotation	Unknow
Peak:m/z	Relative Intensity
54.26675	0.7
55.01866	4.0
55.62442	0.7
56.09555	0.7
57.03415	0.9
61.02912	1.9
68.99788	1.4
71.49959	0.9
73.02905	1.6
81.03416	1.9
85.02897	2.3
93.03378	1.0
97.02914	1.0
102.35934	0.9
103.03903	1.9
107.04927	2.9
109.02844	2.3
119.04916	2.2
121.02832	2.6
121.06462	0.9
131.04865	1.4
135.04395	7.2
137.02321	29.7
137.03328	1.3
137.48624	0.7
147.04430	1.2
151.03853	0.8
159.04465	1.3
161.02328	5.9
163.03889	1.6
171.04373	1.7
173.05911	1.4
175.03891	1.5
176.01091	0.9
177.01834	2.7
177.05389	1.1
179.03357	2.5
183.04294	1.0
187.03979	2.3
189.01802	6.9
189.05403	2.0
190.02669	1.2
191.03375	6.1
193.04976	1.2
195.02908	7.8
199.03819	2.5
201.05449	1.3
203.03383	12.2
205.04929	2.1
207.02849	7.0
213.01790	1.0
213.05450	1.8
215.03355	3.8
217.04898	6.4
219.02870	4.2
221.04362	4.8
225.03856	1.0
227.03314	2.3
229.04927	1.5
231.02873	1.7
233.04457	3.2
241.04861	1.7
243.02859	3.0
245.04407	3.6
249.04059	1.1
253.05009	1.0
255.06421	1.1
261.04117	1.4
273.03918	3.0
283.06018	1.7
284.06741	3.2
287.05435	1.0
295.06039	4.4
296.06732	2.0
297.07462	6.0
299.05423	4.5
305.07950	0.8
306.88589	0.8
307.06119	1.3
308.06769	2.6
309.07544	2.7
310.04764	12.6
311.05457	51.1
312.06149	5.0
313.07001	6.1
321.07416	2.3
322.08279	1.6
323.05450	35.4
324.06210	11.2
325.07013	15.8
329.06598	3.5
333.07568	1.9
335.05618	4.9
336.06143	6.5
337.07010	30.9
338.04111	0.9
338.07645	4.5
339.04807	1.9
339.08575	4.8
341.06525	46.3
345.07632	2.6
349.07031	15.8
350.07803	3.5
351.04749	1.1
351.08539	13.9
352.05756	2.9
353.06516	42.6
354.07178	0.9
355.08026	5.1
361.06995	12.5
363.08615	3.2
364.05902	1.0
365.06525	34.1
366.06992	1.2
367.08090	18.6
371.07623	10.0
375.08716	2.2
377.06464	19.6
377.10846	1.6
378.07285	1.4
379.03690	1.6
379.08127	19.4
381.09805	1.0
383.07617	4.9
389.06470	10.2
391.08295	5.0
395.07565	48.7
401.08102	1.0
403.07919	3.8
407.07574	45.6
409.08752	1.1
413.08713	2.5
415.08054	1.7
417.09613	3.0
419.07678	6.3
421.09314	1.0
425.08636	81.3
426.09158	0.9
431.07526	6.5
433.09070	2.4
437.08746	5.5
443.09689	100.0
444.10056	1.5
449.08487	8.4
455.09595	4.9
461.09128	6.3
463.10239	1.2
467.09854	1.7
473.10825	11.1
479.09641	5.8
485.11172	1.7
491.10791	8.8
497.03494	1.1
497.10745	23.3
509.10721	12.8
515.11841	16.1
527.11786	67.7
545.12854	30.3
563.13806	8.7
581.14612	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	581.1495
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	6.1
67.82416	2.4
69.03400	3.9
70.93214	6.3
76.83307	2.5
79.05453	2.9
85.02915	3.1
107.04977	4.3
111.04503	2.6
121.02814	3.4
135.04424	6.8
137.02313	22.6
151.03801	4.0
152.40492	2.6
153.01794	4.8
159.92824	2.7
161.02309	3.2
177.01816	4.6
189.01852	6.2
191.03358	5.8
195.02879	9.2
203.03351	16.2
205.04881	3.9
207.02870	7.4
215.03352	6.0
217.04884	6.3
219.02817	4.3
221.04454	6.5
223.22966	2.6
227.03435	3.4
229.05058	6.9
231.02907	5.9
233.04404	3.4
243.03001	3.7
267.11182	4.2
271.06097	4.1
275.05234	3.7
279.06274	3.4
283.34174	3.2
284.06659	3.0
287.05505	18.3
295.06049	5.6
297.07501	3.8
299.05325	13.8
300.06400	3.2
309.07486	3.4
310.04758	7.7
311.05453	56.8
311.08759	5.6
312.06125	7.6
313.06967	6.5
313.11826	9.3
323.05396	41.6
324.06284	10.0
325.07059	19.6
326.04080	4.7
327.05008	7.9
328.05682	3.2
329.06534	7.8
335.05487	3.8
336.06555	3.9
337.07043	32.9
339.04938	9.9
339.08694	9.0
341.06561	35.3
345.06799	2.9
349.07074	18.9
351.08569	9.1
352.05957	4.6
353.06555	33.1
355.07849	5.7
357.06088	12.4
361.06992	3.8
362.07758	3.1
363.08591	6.4
365.06400	33.5
367.08176	16.2
369.06052	15.2
373.13861	13.6
377.06439	23.8
379.08066	11.2
381.05930	9.7
381.10114	6.0
383.07635	10.3
389.06412	3.6
391.08075	9.2
393.05853	7.0
395.07547	39.1
407.07376	27.7
409.08975	7.6
411.06985	8.6
413.08438	12.7
419.07678	10.7
421.09354	4.1
423.06802	14.8
425.08655	30.6
427.10593	3.6
433.09238	4.8
435.11063	4.9
437.08609	15.1
441.07990	17.5
443.09802	18.7
455.09686	25.9
459.09308	9.3
461.09030	6.2
463.10037	7.4
465.08105	5.4
467.09598	4.8
473.09775	9.4
479.09564	8.7
483.09225	5.2
491.09683	15.4
497.10709	35.1
499.11813	3.1
501.10202	3.5
509.10794	56.2
515.11707	10.6
527.11792	100.0
545.12799	78.7
563.13892	14.4
581.14606	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	580.3328
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	6.2
53.03939	9.4
55.01861	27.0
55.05507	42.4
56.40822	6.4
57.03423	26.5
61.02903	17.6
67.05498	81.5
69.03416	32.4
69.07062	72.8
70.06578	28.2
71.04994	34.7
72.08149	6.4
73.02905	16.3
79.05486	76.0
81.03410	51.3
81.06599	10.6
81.07050	100.0
83.04976	24.6
83.08601	24.3
84.08126	7.2
85.02905	37.9
86.09702	12.8
91.03938	11.1
91.05462	87.6
91.84924	5.7
93.07032	75.1
95.04958	37.0
95.08605	54.3
97.02885	23.5
97.06531	94.5
97.10159	22.9
97.35813	5.5
99.08088	9.4
100.11213	10.3
105.07037	58.7
106.07338	6.1
107.04935	37.6
107.08589	42.5
109.02879	9.4
109.06514	31.4
109.10155	38.7
111.04435	12.7
111.08089	23.0
115.05441	9.5
115.07565	43.5
117.07016	39.3
119.04970	9.5
119.06371	5.5
119.08566	46.8
121.06483	19.7
121.10126	29.6
123.08061	25.1
125.09600	20.7
127.03902	16.5
128.06204	8.5
129.06995	18.3
131.04941	7.4
131.07082	8.2
131.08537	31.2
133.06493	11.2
133.10089	40.0
135.08035	21.2
135.11691	18.1
137.06013	9.0
137.09619	13.4
143.08498	11.5
145.10095	28.6
147.08041	16.8
147.11702	20.4
149.09612	21.0
149.13234	16.6
155.08513	7.7
157.10117	19.1
159.08029	5.6
159.11708	17.1
160.46713	5.5
161.09598	17.2
163.11166	17.1
165.09164	12.3
167.07074	30.4
169.10107	10.7
170.56772	6.1
171.11673	15.2
173.09567	10.0
173.13239	13.3
175.07578	7.2
175.11130	11.3
177.12753	11.2
182.15340	11.4
189.11169	13.3
193.12250	9.9
199.11168	11.5
201.32878	5.6
208.00797	6.3
210.14903	10.5
217.15898	16.9
220.65805	7.7
227.12651	9.6
227.17900	9.1
233.15382	19.2
245.19041	12.1
255.17455	8.4
267.06659	7.5
268.06860	7.9
269.17395	33.6
273.18448	65.0
291.19565	58.4
297.07809	7.0
297.16986	10.3
298.07904	6.9
309.20609	8.9
310.08002	9.8
314.07169	7.9
322.08002	6.5
338.07379	7.2
347.22058	17.5
364.09033	7.0
365.23251	73.8
382.09924	8.5
383.24207	46.2
391.19760	10.4
435.23831	8.9
442.11841	7.0
453.24551	7.4
537.40002	11.6
580.34259	16.6
609.38379	6.4
609.55261	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	580.3323
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	8.7
51.11211	5.1
53.03934	14.4
55.01867	14.9
55.05500	31.3
56.05038	7.2
57.03430	35.4
59.49130	5.9
60.04514	23.5
61.02913	13.4
65.03909	10.8
67.05495	77.8
68.50024	5.7
69.03422	24.8
69.07062	51.2
70.06586	23.0
71.04980	25.7
71.26784	11.2
71.27113	7.2
72.08138	20.4
73.02914	13.0
79.05486	87.8
81.03405	54.4
81.07040	89.2
83.04964	24.4
83.08611	27.8
84.08102	6.9
85.02905	45.2
85.06505	7.1
86.09692	19.8
91.03921	6.0
91.05464	66.5
93.07033	67.1
95.04966	41.6
95.08584	57.5
97.02880	32.3
97.06516	74.4
97.10152	30.1
99.04420	6.4
99.08089	7.1
103.03954	10.0
103.05422	14.1
105.03369	10.8
105.07034	55.5
107.04921	14.5
107.08577	49.6
109.02885	16.0
109.06503	28.7
109.10149	24.4
111.04453	8.4
111.08053	21.5
115.07594	31.3
116.01653	8.4
116.07043	7.3
117.06998	26.7
119.08568	45.8
121.06505	18.5
121.10142	33.1
123.08038	23.6
123.11782	7.6
125.09603	20.6
127.03890	13.7
128.06186	7.5
129.06989	16.1
131.04945	14.0
131.08568	27.0
133.02823	11.3
133.06477	15.6
133.10104	31.5
135.08026	19.8
135.11716	23.0
136.07562	8.0
137.05928	19.9
137.09589	9.9
139.11113	8.0
142.03191	7.1
143.08575	9.9
145.06450	6.7
145.10127	37.5
146.05998	10.2
147.04349	10.2
147.07991	11.3
147.11668	11.7
149.09561	12.0
149.13264	15.0
151.07542	10.9
157.10150	20.1
159.11696	15.0
161.05969	12.8
161.09532	14.7
161.13274	8.2
163.07608	10.4
163.11159	27.8
164.11537	6.0
165.09096	7.7
167.07014	100.0
168.07410	9.8
169.24406	6.7
171.11674	7.9
175.11218	13.1
177.05432	11.8
177.12764	18.1
179.10538	8.2
181.04906	10.8
182.05507	6.7
189.11209	13.7
191.07004	12.1
193.12239	28.0
211.13185	16.0
217.15849	13.7
221.15230	7.6
233.15500	15.7
242.93903	7.3
245.14015	8.2
267.15872	10.7
269.17548	37.9
273.18539	56.7
279.06363	12.4
285.16895	60.7
291.19513	72.3
292.07031	11.1
293.07632	6.9
310.07745	12.2
311.05609	8.7
322.07867	7.4
329.21033	7.3
332.27927	17.5
333.07452	8.4
347.22153	18.3
365.23172	98.5
383.24219	90.8
383.28876	9.8
385.12860	20.6
442.12207	8.0
487.61481	7.4
547.92810	6.9
580.33405	22.8
581.20135	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	580.3326
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.5
54.18162	0.7
55.01873	2.2
55.05505	6.8
55.17332	0.7
56.05033	5.2
57.03430	2.0
57.07085	1.0
60.04523	100.0
61.02932	1.9
67.05502	12.8
68.05033	1.0
68.99800	1.1
69.03421	13.1
69.07066	5.2
69.38892	8.3
70.06589	4.4
71.05000	2.8
72.04510	4.1
72.08156	1.3
73.02910	2.1
74.06080	3.8
79.05489	8.0
80.05019	1.7
81.03413	11.1
81.07051	13.8
82.06587	1.4
82.07381	0.8
83.04996	1.5
83.08627	2.9
84.04523	2.1
84.08126	1.8
85.02903	21.8
85.06532	0.9
86.06069	2.7
87.00826	7.0
91.05467	7.9
93.07056	8.6
94.06580	1.8
95.04991	2.3
95.08603	10.8
96.08141	1.9
97.02892	6.1
97.06538	1.4
97.10169	1.0
99.04452	4.0
100.07642	2.2
102.05568	2.7
103.03976	0.8
104.07108	2.3
105.01866	3.8
105.07014	4.2
107.04982	1.1
107.08581	5.5
109.02877	9.2
109.06509	1.2
109.10153	6.4
110.07117	0.8
111.08112	0.9
115.97948	0.7
116.07105	1.8
117.07036	1.1
119.08551	5.0
121.06559	1.4
121.10125	4.6
123.11751	2.4
126.05515	0.7
127.03921	12.4
128.07086	3.0
129.01846	1.7
131.04930	0.9
131.08591	2.4
133.10132	2.6
135.11720	4.0
137.06015	1.1
137.09563	1.0
145.04999	2.8
147.11725	2.7
149.13306	1.1
157.10141	1.0
159.02888	4.0
159.11682	0.8
161.13257	1.2
167.07048	3.4
181.04939	1.0
203.17953	1.3
231.05215	1.1
248.23753	1.3
260.23804	1.8
266.12482	0.9
274.09464	1.0
278.24786	7.4
280.06949	0.9
296.25803	11.5
308.09888	0.8
309.07666	1.0
310.07971	1.6
310.11429	2.4
314.26883	27.8
321.07672	1.1
323.05804	1.0
332.27942	70.1
333.28448	2.0
356.28210	1.3
358.07169	0.8
365.23401	2.3
374.29111	3.4
438.60678	0.8
494.33356	1.6
526.29907	1.3
536.34454	6.1
544.31110	1.3
562.32294	5.1
580.33276	67.5
581.33490	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	580.2392
Annotation	Unknow
Peak:m/z	Relative Intensity
57.86518	4.2
62.73021	3.9
63.55814	3.9
69.03413	5.7
70.06591	22.2
70.45395	8.4
70.45788	7.6
72.08135	9.3
76.81401	4.5
84.08135	9.5
85.02880	17.6
86.09691	17.2
91.05462	7.4
98.20809	5.8
101.45187	3.5
103.05469	5.8
105.07004	18.6
110.07190	6.0
115.05428	7.0
120.08096	7.3
122.67973	3.5
123.76276	4.3
127.03847	5.3
129.10283	7.4
133.06471	14.1
137.05963	72.7
146.03600	7.1
151.07590	4.1
161.05974	100.0
161.07336	6.2
167.07034	13.6
180.08727	3.5
191.08527	4.6
191.40392	3.9
199.07521	19.5
202.07764	17.3
203.08556	20.3
219.08119	12.5
220.08760	7.2
222.06827	6.2
231.08055	34.9
232.08839	9.6
234.06703	6.0
235.07649	5.2
235.81372	3.9
237.09171	8.2
237.31702	3.7
247.07492	6.8
248.08360	23.0
249.09009	4.7
251.07103	4.4
259.07553	33.0
260.08374	20.4
261.08878	4.5
263.10590	18.5
265.08627	11.1
267.06631	8.1
268.06833	23.8
271.06036	7.8
272.06366	5.5
276.07721	20.5
277.08514	4.3
278.09265	5.5
291.10162	96.8
294.08295	5.9
297.07550	12.7
298.07950	21.4
299.05270	5.7
308.10309	8.5
309.11218	57.1
311.12909	4.4
314.07416	5.0
322.07828	6.7
323.12772	82.1
329.06134	5.6
330.06863	9.9
333.07404	4.3
341.13815	60.0
345.07968	4.4
354.06836	5.9
398.09525	6.3
400.11020	13.9
416.10638	5.8
418.11896	6.0
434.11749	13.4
458.92517	5.0
580.16296	5.3
580.22229	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	579.2925
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.5
55.01872	0.8
55.05512	10.5
57.03431	8.6
57.07080	3.8
64.10563	0.6
65.03944	0.7
67.05499	47.0
69.03413	1.3
69.07065	12.2
71.04989	1.8
71.08618	2.4
79.05488	13.8
81.03406	10.9
81.07049	47.1
83.04968	1.0
83.08608	9.9
85.02905	1.1
85.06518	2.0
85.10196	1.3
85.61643	0.6
91.05480	9.1
93.07040	14.0
95.04960	2.7
95.08597	40.9
97.06491	3.1
97.10162	5.2
98.98459	100.0
99.04455	2.1
99.08041	1.1
105.07036	6.1
107.08590	9.1
109.02872	6.1
109.06527	0.9
109.10146	18.3
111.08078	2.7
111.11665	0.9
113.09653	0.8
116.99489	2.8
119.08570	6.2
121.10136	9.6
123.08044	0.8
123.11695	8.9
127.03840	0.7
133.10123	7.5
135.11687	5.3
137.09596	1.3
137.13237	3.7
140.01068	1.5
145.10086	0.6
147.11691	3.9
149.13246	5.1
151.14775	3.1
153.12744	0.7
154.04958	0.7
155.01027	92.8
161.13255	4.5
163.14812	3.9
165.16333	1.9
167.14319	1.0
173.02022	1.0
175.14810	2.8
189.16296	1.4
207.17354	0.8
225.01550	0.8
243.02660	2.7
245.22620	13.0
263.23679	25.2
299.05237	2.1
317.06277	12.4
319.26349	1.5
337.27332	59.2
402.77209	0.7
407.27753	1.3
417.23993	0.8
425.29169	3.2
561.27838	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2823
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	2.9
55.01863	5.4
55.05505	15.7
57.03424	4.8
57.07058	4.4
57.41626	1.4
59.34629	1.2
67.05497	67.6
69.03403	4.7
69.07061	13.5
69.77293	10.7
71.04978	2.9
71.08622	2.0
73.02924	2.1
75.04462	1.9
79.05481	32.0
81.03407	6.3
81.07044	77.6
83.04955	2.4
83.08609	8.0
85.02901	4.2
85.06520	3.6
86.00591	1.5
89.16326	1.3
91.05462	20.0
93.06438	1.8
93.07030	48.9
95.04955	3.7
95.08592	60.1
95.61588	1.4
95.90536	1.2
97.02891	3.0
97.06525	3.6
97.10165	4.2
98.20723	1.6
98.90688	1.2
98.98456	31.6
99.04470	2.4
99.08079	1.8
103.36440	1.3
105.07025	15.3
107.08578	33.5
109.02857	9.3
109.06520	2.2
109.10144	36.2
109.78608	1.8
110.03674	1.8
111.04427	3.8
111.08069	3.1
113.09674	2.2
117.06998	6.7
119.08571	11.9
121.10130	31.2
123.08071	1.4
123.11681	19.1
125.09630	2.2
127.03912	4.0
131.08545	17.8
132.99538	2.2
133.10132	14.3
135.11685	26.3
137.13222	7.7
139.11069	1.8
145.10094	14.0
147.11656	11.2
149.13234	18.9
151.14798	3.5
155.01015	32.4
159.11667	13.4
161.13246	7.9
163.14821	12.1
165.12778	3.1
165.16475	1.6
173.13237	12.3
175.14812	3.6
177.16391	5.6
179.14328	2.3
185.13126	1.4
187.14847	7.3
191.00125	2.8
201.16393	2.7
219.17444	1.4
226.42094	1.4
233.22594	4.2
243.21063	26.6
245.22676	4.4
259.20471	2.4
261.22113	100.0
262.22626	2.1
263.23627	9.9
279.23132	5.2
303.23087	2.7
317.06140	2.2
317.24786	2.6
335.25745	15.6
337.27328	21.3
353.26831	61.8
369.24155	3.1
425.28571	1.5
451.21622	2.4
561.27130	2.7
579.20587	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	579.1705
Annotation	Vitexin 4''-O-rhamnoside
Peak:m/z	Relative Intensity
53.03931	1.3
55.01870	2.0
57.03429	6.4
61.10239	1.2
69.03418	3.9
69.58520	10.1
70.06573	6.2
71.04604	2.9
71.04982	37.5
72.08137	1.7
75.04453	1.8
81.03423	2.3
83.04935	1.9
84.04436	1.7
84.08136	2.9
85.02896	45.3
86.09697	5.0
95.04945	1.5
98.20702	2.3
103.03942	1.5
105.03384	10.6
107.04961	1.5
109.02871	2.7
110.07165	1.4
111.04425	2.7
119.04935	1.6
120.08099	2.0
121.02872	5.0
129.05476	7.2
131.04872	1.4
137.06046	3.0
141.01726	1.7
163.03903	3.5
165.01849	5.8
167.03445	5.3
183.02882	1.9
187.03798	1.5
189.01749	2.8
191.03423	1.9
195.02869	4.0
201.56384	1.3
203.03386	3.3
207.02873	2.4
217.04871	1.7
221.04526	1.7
229.04886	2.8
251.06961	2.0
252.07838	1.7
255.02954	1.9
255.06622	3.0
261.03870	1.8
263.06989	2.0
265.08572	2.6
267.06519	12.1
270.05188	3.6
271.05966	8.9
278.05719	7.4
279.06473	31.4
279.09424	2.6
280.07083	3.7
281.08072	9.5
283.05975	83.7
284.06802	9.5
291.06512	19.3
292.07294	5.9
293.08035	5.1
294.05377	1.6
295.06076	12.6
297.07541	4.7
303.06534	3.5
305.08035	12.0
306.08890	3.6
307.06000	2.9
307.09467	3.2
308.06741	1.7
309.04001	3.0
309.07541	55.6
313.07022	100.0
314.07385	2.6
317.08096	1.8
319.06223	2.0
319.09668	5.7
321.07547	24.6
321.11053	2.6
323.05811	1.5
323.09100	9.0
331.09763	3.6
333.07532	15.8
335.09027	11.6
337.07040	41.2
339.08597	7.5
345.07489	5.8
347.09128	2.0
349.06995	11.4
349.10748	4.1
351.08588	3.3
357.07413	2.0
359.09079	3.9
361.07034	9.2
363.08563	26.0
367.08167	25.7
375.08649	11.5
379.08151	13.3
381.09650	15.4
387.08524	9.7
393.09573	17.7
397.09088	16.7
399.10666	4.5
405.09793	9.6
411.10699	14.4
415.10242	33.9
417.10791	4.4
423.10733	8.7
429.09970	2.0
433.11237	40.3
439.09946	2.0
441.11920	26.0
447.10455	3.3
459.12527	3.5
465.11749	10.9
477.11932	1.5
483.12750	4.2
489.11374	3.1
495.12570	6.0
507.13010	6.6
513.13794	2.1
525.13971	10.6
543.14856	5.4
561.16052	1.7
579.17267	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	579.1702
Annotation	Isovitexin 4'-O-rhamnopyranoside
Peak:m/z	Relative Intensity
50.37621	0.5
51.19011	0.6
52.55149	0.6
62.91551	0.5
69.03392	1.7
71.04982	1.3
71.39889	1.3
72.83794	0.6
77.12177	0.6
79.01839	0.7
81.03400	1.1
85.02902	3.1
85.61036	0.5
85.95085	0.6
90.82801	0.6
109.02840	0.7
135.04362	1.6
137.02342	8.3
138.96271	0.6
145.02873	0.7
160.98700	0.6
161.02275	1.2
163.03839	0.7
165.01840	1.2
179.03398	1.3
183.02867	0.8
191.03470	0.8
195.02913	0.9
203.03336	0.7
217.05060	0.7
219.03029	0.7
219.06627	3.4
224.31577	0.5
229.04935	1.3
243.06480	2.1
244.07152	0.7
245.04549	4.1
259.05975	1.6
261.07483	1.1
263.05478	2.5
271.06021	3.9
272.06799	5.5
279.06516	1.3
283.05936	1.2
286.04620	1.1
287.05511	5.9
295.05951	0.6
299.05472	31.8
300.06253	30.0
301.06982	2.2
309.07321	1.2
311.05505	9.3
313.07077	10.7
324.06409	0.9
325.06995	5.2
327.04886	2.1
327.08527	1.4
329.06534	79.3
330.06912	1.7
333.07407	0.6
335.09070	3.2
337.07050	1.2
339.04907	3.4
341.06558	3.4
341.10095	1.2
343.08099	2.3
351.08585	3.5
353.06555	15.3
355.08063	0.9
357.05939	0.8
359.07578	4.8
359.77652	0.8
361.07120	0.9
369.09686	3.2
371.07639	2.2
379.08069	8.7
397.09155	47.9
398.09357	1.6
415.10220	19.7
415.14520	0.4
416.10828	1.0
433.11279	100.0
434.11545	4.7
475.12482	0.8
579.17072	12.6
580.17322	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1706
Annotation	Molludistin 2''-O-glucoside
Peak:m/z	Relative Intensity
55.05484	0.5
57.03397	0.8
62.43840	0.4
68.99782	0.7
69.03392	1.9
69.41222	2.8
69.41654	2.0
70.06554	1.2
71.04946	1.4
79.01851	0.5
79.48358	0.5
81.03401	0.6
81.07011	0.5
85.02900	2.8
86.09666	0.5
91.05422	0.6
93.03389	1.1
95.04910	0.5
105.03323	0.8
105.06993	0.6
107.04884	1.0
117.03384	0.6
121.02819	0.6
127.03915	0.7
133.10048	0.4
135.04417	2.5
137.02339	6.9
161.02335	0.8
163.03789	0.5
165.01805	2.0
167.06989	1.5
173.06067	0.6
175.03838	0.7
175.07465	0.6
177.05313	0.5
179.03412	2.8
183.02895	1.2
191.03377	0.7
193.04964	1.4
201.05357	0.7
203.03394	0.6
203.07010	1.2
217.04950	0.6
219.06494	1.4
227.07037	0.6
229.04941	1.7
233.53883	0.5
243.06566	0.7
245.04491	1.1
245.08096	0.6
247.05948	0.7
255.06599	0.6
263.05569	0.5
267.06461	2.1
271.05878	2.5
272.06763	1.0
279.06497	1.8
281.07968	0.8
282.05179	0.6
283.06036	1.5
284.06903	0.8
285.07602	0.5
286.04721	1.3
287.05478	3.8
291.06552	1.0
293.08054	0.7
295.05957	1.8
296.06601	0.6
297.07571	2.7
299.05493	35.2
300.06259	10.6
301.06583	1.1
305.08179	0.9
309.07568	3.7
311.01782	0.6
311.05484	24.7
313.07043	58.1
314.07339	1.3
321.07547	2.1
323.05396	2.0
324.06332	3.0
325.07074	8.6
326.07767	0.9
327.05057	1.3
327.08597	25.5
329.06543	18.1
330.07053	0.6
333.07327	0.8
335.09158	1.0
337.07074	5.6
339.05093	0.9
339.08606	3.2
341.06448	1.3
343.08090	4.3
351.08698	1.7
353.06482	7.5
353.10254	5.6
355.08105	42.0
356.08505	1.1
359.07629	2.1
363.08603	2.1
369.09390	0.9
371.07635	0.6
379.07956	3.1
381.09665	14.6
387.09119	0.9
393.09814	0.9
397.09152	12.8
398.09390	0.6
399.10745	29.5
400.11008	1.2
415.10205	8.0
417.11783	100.0
418.12024	2.4
433.11255	19.2
434.11469	0.7
441.11859	1.0
475.12119	0.9
525.14392	0.8
543.14600	0.5
561.15491	1.0
579.17047	38.8
579.32593	1.5
580.17456	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1704
Annotation	Isovitexin 4'-rhamnoside
Peak:m/z	Relative Intensity
57.03441	5.7
61.02921	1.5
69.03142	1.0
69.03432	11.3
70.06588	4.9
70.70650	2.6
70.71040	2.4
71.04990	29.0
72.08130	1.8
75.04471	1.0
78.45885	1.0
84.08135	1.5
85.02902	29.4
86.09689	3.3
93.68952	1.0
109.02914	1.4
110.07140	1.3
111.04446	3.3
120.08127	1.2
129.05467	4.1
129.10297	1.4
131.04907	2.0
135.04408	4.3
137.02364	6.6
137.05991	2.1
161.02351	3.6
163.03992	1.9
165.01813	4.5
167.03398	2.6
179.03412	3.0
183.02899	3.1
191.03477	1.8
195.02936	2.6
201.05571	1.5
203.03296	1.2
243.06604	1.6
245.04384	2.2
255.06462	1.7
267.06531	6.3
271.06186	1.3
279.06650	2.0
283.06015	5.5
286.04694	4.2
287.05469	7.6
293.07953	2.3
297.07587	13.7
299.05493	48.3
300.06229	8.8
307.09641	1.6
309.07544	2.2
311.05438	14.6
313.03784	1.4
313.07092	7.5
321.07648	3.7
323.05518	2.6
323.09189	1.6
325.07071	32.9
327.08716	4.4
329.06528	67.3
330.06970	1.9
333.07599	2.5
335.09052	2.9
337.07025	10.4
339.05057	1.8
341.06409	1.8
345.07434	1.4
351.08606	18.0
353.06540	70.9
355.08099	5.6
361.07092	3.1
363.08643	2.3
379.08115	45.1
380.08649	1.9
381.09659	3.2
397.09167	78.5
398.09406	1.2
399.10730	3.8
415.10217	27.3
417.11703	3.1
433.11295	100.0
434.11719	1.8
514.87207	1.5
526.99817	1.2
579.16858	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1703
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11373	2.5
52.59824	2.8
53.03922	3.0
55.01848	2.9
57.03418	5.7
62.10061	2.3
68.44727	2.1
68.99776	5.7
69.03434	13.1
70.06571	10.3
71.04985	4.5
71.74815	3.1
72.08125	3.5
81.03423	4.0
84.08128	4.5
85.02897	19.4
86.09701	6.0
93.03401	2.4
93.26793	2.7
95.04949	5.1
97.02877	4.8
100.15941	2.1
103.03985	3.0
103.05455	4.1
104.05309	2.7
105.03389	65.1
105.06928	2.3
107.04974	6.1
109.02873	5.6
111.04418	2.5
113.50093	2.3
119.04963	3.5
121.02857	14.8
129.10168	4.5
131.08212	2.0
135.04401	11.5
137.02316	7.8
139.03918	5.1
145.02782	3.1
147.04417	15.2
149.02359	4.1
151.03926	4.8
153.01817	3.9
159.04387	2.2
161.02139	2.2
161.05910	4.4
163.03836	10.1
165.01830	4.6
167.03378	2.7
167.07004	2.6
173.06038	4.7
175.03854	4.3
177.01831	9.4
177.05518	3.7
179.03354	3.9
181.04820	3.2
183.02867	4.2
187.03880	6.4
189.01807	5.3
189.05371	3.6
191.03378	8.8
195.02815	15.1
199.03883	3.7
201.01764	2.7
201.05453	7.8
203.03381	8.7
205.04893	7.8
207.02863	12.7
207.06294	2.6
209.04460	2.8
213.05481	3.2
215.03311	3.6
217.04999	14.4
219.02798	10.1
221.04449	3.4
225.74579	2.3
227.03322	3.0
229.04948	9.2
231.02887	10.7
231.06384	2.9
233.04419	3.5
235.05959	2.5
241.04880	2.9
243.02893	8.2
243.06476	3.8
245.04416	4.5
247.05907	3.8
249.03786	5.2
251.06848	2.7
252.07814	3.7
253.04625	3.0
253.40489	2.4
255.02908	3.3
255.06592	4.0
257.04385	3.6
259.06058	4.0
261.04016	13.0
263.07056	2.6
265.08704	4.7
267.06458	17.1
268.07056	3.5
269.04440	3.7
270.05124	5.1
271.05975	22.8
273.03891	6.5
278.05792	17.3
279.06512	55.3
280.07266	7.7
281.04776	3.2
281.07962	13.4
283.05978	58.0
284.06674	15.6
285.03842	11.5
287.05386	3.8
291.06607	34.9
292.07184	12.0
293.07932	14.6
295.05856	16.8
297.03952	4.4
297.07498	17.2
299.05420	14.1
300.06119	5.3
301.06219	3.0
303.05197	3.8
305.07974	21.3
306.08719	7.0
307.05972	5.1
307.09412	5.9
308.06595	2.5
309.03943	5.6
309.07538	82.2
311.05389	13.1
311.08749	3.7
313.07007	100.0
315.05035	5.0
317.08047	8.7
319.06277	2.7
319.09576	13.9
320.06653	3.6
321.07620	52.6
323.05453	5.4
325.06985	10.5
326.07449	4.0
327.04849	7.1
327.08450	5.6
329.06430	11.7
331.09607	7.3
333.07544	26.5
335.05490	4.3
335.09128	33.9
337.07007	43.5
339.08539	20.2
345.07593	14.0
347.08917	4.8
349.10721	5.7
351.08597	11.5
353.06705	7.5
354.07031	3.2
355.07742	8.3
357.07077	5.6
359.09033	6.4
363.08636	86.0
365.06583	3.2
369.05811	4.8
373.10852	3.4
375.08490	21.3
377.06317	2.6
379.07904	10.9
380.08374	5.2
381.09686	66.9
387.08536	17.8
391.08133	3.4
393.09656	30.3
397.09344	16.3
398.09613	5.5
399.10370	27.7
405.09708	23.3
409.09225	3.4
411.10809	28.5
415.10281	8.7
417.11887	50.3
423.10574	26.4
429.10019	12.5
433.11240	17.6
441.11813	60.8
447.10748	11.5
453.09369	3.3
459.12442	13.9
465.11768	26.1
471.10150	4.4
475.12543	17.2
477.11310	4.8
483.12302	7.9
489.11322	5.7
495.13004	19.8
499.12012	6.9
507.12817	21.3
513.10199	4.5
525.14362	18.9
543.15027	49.5
544.15106	2.9
561.15900	20.4
562.16205	2.6
579.16620	23.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1699
Annotation	Acacetin 7-glucosyl-(1->4)-xyloside
Peak:m/z	Relative Intensity
52.78585	0.6
53.24758	0.5
55.01838	0.7
59.33034	0.5
69.03377	1.6
70.72894	1.9
81.03373	0.7
85.02899	3.8
97.02814	1.3
103.05419	0.9
105.03374	3.8
109.02823	1.2
121.02842	0.7
129.03285	1.3
136.02135	0.5
147.04352	1.4
165.01784	5.3
167.03345	2.7
170.73674	0.5
183.02863	1.8
213.05484	1.0
223.07462	1.0
251.06964	8.0
252.67204	0.6
254.05693	2.1
255.06551	5.8
263.06918	0.8
265.08575	7.4
267.06488	100.0
268.07187	8.1
279.06476	10.4
279.09842	1.5
281.04675	0.8
281.08057	1.8
289.08569	2.4
291.06427	2.2
292.07034	1.2
293.04456	1.6
293.07993	23.6
295.06049	1.3
297.07547	81.8
298.07614	0.7
305.08011	2.2
307.06049	1.3
307.09592	12.6
309.07578	0.9
317.08112	3.9
321.07532	41.7
322.07816	1.1
333.07556	10.4
335.09143	2.5
345.07513	10.4
351.08582	31.6
363.04022	1.1
363.08588	21.8
381.09644	20.6
399.10724	30.7
417.11652	7.8
459.12891	0.9
525.28436	0.6
561.16168	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1699
Annotation	6-C-Glucopyranosyl-8-C-arabinopyranosylgenkwanin
Peak:m/z	Relative Intensity
57.32088	2.0
57.32398	2.0
71.10900	2.1
71.19705	4.5
71.20043	2.7
79.55316	1.9
85.02895	5.7
90.51770	2.1
93.87061	2.1
103.03944	3.1
103.99374	2.2
105.03379	19.1
112.33797	2.2
177.01822	2.7
179.03340	2.5
181.53247	2.5
189.01788	5.0
191.03343	3.1
195.02762	4.0
203.03386	7.0
207.02863	4.5
215.03375	2.4
217.05020	2.6
229.04890	3.6
252.07703	4.0
263.06934	3.9
265.08466	6.4
267.06561	3.2
277.08530	3.7
278.05768	19.1
279.06506	67.1
280.07211	4.9
281.08075	10.1
291.06488	47.8
292.07205	13.5
293.04999	2.2
293.08035	14.7
301.08569	2.3
303.06470	10.1
303.09830	2.6
304.07001	3.8
305.08051	24.4
306.08768	7.8
307.06015	3.3
309.07550	83.8
317.08038	8.4
318.08618	3.2
319.09665	11.6
320.06479	2.5
321.07526	63.6
329.07965	5.7
330.08490	2.6
331.09531	13.4
333.07520	35.0
335.09052	18.2
339.08572	21.6
345.07523	19.7
347.09094	6.0
349.10620	9.6
351.08572	5.8
357.07489	6.4
359.09158	11.5
363.08612	59.9
369.07388	3.8
375.08569	26.9
385.10709	2.7
387.08670	19.4
393.09659	45.1
405.09631	28.2
411.10739	45.9
417.09744	3.3
423.10809	34.7
429.09598	4.8
441.11755	100.0
447.10730	8.7
459.12833	16.3
465.11722	31.1
471.10757	3.5
477.12057	4.0
483.12820	14.8
489.11542	9.1
495.12790	24.9
507.12949	23.7
513.13641	5.9
525.13959	23.6
543.14832	15.5
561.15881	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	579.17
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48225	0.7
57.03433	3.4
60.14944	0.7
69.03420	9.7
69.41035	1.3
69.41444	6.7
71.04982	15.8
81.03405	1.0
85.02902	18.7
97.02837	1.4
111.04430	1.3
119.04929	2.4
121.02861	9.5
129.05460	3.5
131.04895	1.2
135.04364	0.9
145.02817	2.9
149.02319	1.1
163.03906	5.9
165.01846	5.6
167.03369	3.3
177.01793	1.0
181.05019	0.8
183.02916	2.7
187.03871	1.6
191.03481	0.8
195.02820	2.3
211.49667	0.7
217.04895	1.4
227.03430	1.1
229.04932	0.9
243.06641	1.0
245.04402	1.0
267.06488	8.5
270.05252	4.4
271.06003	14.6
273.03873	1.0
279.06537	3.1
281.08099	8.5
283.05981	64.9
284.06683	13.0
291.06555	1.3
293.07990	0.7
294.05353	1.2
295.05994	16.2
297.04318	1.5
297.07571	5.0
305.07935	1.4
307.06006	1.9
307.09393	1.4
308.06577	1.2
309.04086	1.5
309.07529	27.0
310.07785	1.0
311.05768	0.9
311.09091	2.0
313.07037	100.0
314.07419	2.8
317.08322	1.1
319.09604	1.7
321.07529	8.0
323.05664	1.4
323.09122	5.3
333.07419	1.8
335.09091	15.1
337.07043	46.8
338.07214	1.2
339.08560	2.3
341.06683	0.8
345.07538	2.7
349.06976	4.8
351.08517	1.6
355.08273	0.8
361.06985	4.3
363.08618	35.1
364.09042	1.8
367.08081	12.8
375.08679	0.9
379.08093	6.4
381.09671	80.9
382.09906	1.6
387.08453	1.3
393.09616	2.4
397.09119	7.9
399.10730	18.8
411.10693	1.4
415.10233	17.6
417.11755	9.1
418.11606	0.8
423.10956	1.5
433.11261	19.7
441.11765	2.2
465.11707	1.3
483.12579	1.0
539.76941	0.9
543.15192	1.4
579.16827	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.0933
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38525	0.7
56.55183	0.6
59.38665	0.6
59.64925	0.6
70.52167	2.8
78.95628	2.6
90.38699	0.7
104.97160	6.6
120.31513	0.6
120.96628	2.7
123.37994	0.7
132.96632	3.5
176.95596	8.3
180.97487	1.4
185.04268	1.7
198.98547	0.9
203.05231	4.4
236.97702	100.0
237.97839	0.7
250.37619	0.7
254.97729	0.9
283.00681	2.0
296.98563	11.1
308.98615	2.6
355.73190	0.7
365.10504	17.1
381.07849	1.9
403.04877	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.17
Annotation	Isofurcatain 7-O-glucoside
Peak:m/z	Relative Intensity
53.03934	0.8
55.01865	1.2
57.03419	2.4
59.40090	0.7
59.69781	0.6
60.13497	0.7
61.02900	1.3
65.51863	0.5
69.03433	6.0
70.88846	0.9
70.89190	1.4
73.02498	0.6
75.83570	0.6
81.03413	3.2
85.02896	19.8
97.02885	5.8
99.04446	0.8
103.03921	4.6
105.03376	2.1
109.02863	2.9
122.92378	0.7
127.03915	1.9
129.03386	1.1
129.62692	0.6
145.04938	1.3
147.04422	0.7
149.02313	1.3
163.03778	0.7
165.01831	2.8
166.54388	0.7
167.03348	3.9
177.01750	0.8
181.04953	0.9
183.02873	2.0
191.03441	0.7
195.02951	0.7
223.07526	1.7
251.07005	9.3
254.05765	1.8
255.06439	4.1
263.06979	0.9
265.08612	5.6
267.06506	59.4
268.07193	9.6
269.08026	1.0
277.08487	0.8
279.06519	10.8
279.09781	1.3
281.08047	0.9
289.08646	1.3
291.06488	1.4
292.07153	1.3
293.04684	1.4
293.08035	14.7
297.07562	100.0
298.07834	3.1
305.07986	1.7
307.09515	6.6
317.08026	2.9
321.07571	24.8
322.07834	1.2
333.07535	9.6
335.09222	1.2
345.07532	6.5
351.08591	16.0
352.08893	1.1
363.08640	10.1
364.08987	0.9
381.09622	13.1
399.10706	20.0
417.11777	6.1
511.73969	0.8
561.16229	0.9
579.16089	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.353
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.6
55.01862	3.9
55.05510	11.4
57.03436	4.7
57.07069	2.0
61.02919	2.1
65.03934	2.1
67.05499	19.9
69.03419	2.7
69.07061	12.4
69.96410	3.0
69.96820	1.4
71.04990	10.2
79.05487	23.2
81.03420	7.2
81.07048	60.5
83.04972	3.8
83.08604	9.5
85.02898	4.1
85.06522	1.8
91.03950	1.5
91.05465	19.2
93.07037	21.9
95.04961	7.0
95.08598	19.7
97.02876	1.5
97.06525	4.1
97.10143	1.6
99.04456	2.1
99.08084	2.1
105.07028	19.8
107.04939	6.6
107.08579	13.7
109.02865	1.9
109.06506	26.8
109.10149	6.0
111.04452	6.3
111.08076	2.0
113.06079	0.8
113.09634	2.1
115.05444	1.0
117.06988	6.2
119.08566	18.4
121.06489	5.0
121.10133	10.8
123.08062	8.5
123.11692	2.9
127.03901	3.7
129.06985	2.5
131.08549	9.6
133.06462	1.4
133.10107	13.7
135.08054	3.7
135.11688	5.3
137.09625	3.6
143.08490	0.9
145.10121	10.2
147.11653	12.7
149.02351	12.9
149.03468	1.3
149.09619	7.5
149.13248	5.8
150.02669	5.4
151.11176	3.2
152.05656	2.1
157.10149	2.6
159.11667	6.7
159.63777	0.9
161.09567	1.4
161.13264	2.6
161.59711	0.8
163.11127	6.1
163.14841	2.1
165.12784	2.6
169.10086	0.9
171.11659	1.9
173.09691	1.2
173.13254	5.0
175.11183	2.2
177.12704	2.0
179.14281	1.2
183.11610	1.4
187.11203	1.0
187.14862	2.5
191.14334	1.0
193.04997	4.7
194.05298	2.9
197.13231	1.0
202.00034	1.1
215.14177	0.9
229.19482	2.7
239.17961	1.7
243.21182	1.8
247.20613	2.3
257.18945	5.6
257.21426	0.9
261.22110	4.2
267.15973	1.0
275.20035	63.9
276.20514	1.1
278.21985	1.2
285.02921	0.9
293.21167	5.8
307.22598	7.7
349.23703	100.0
350.24084	2.1
353.26843	2.8
356.30484	0.9
367.24722	17.4
381.26328	21.8
383.22369	1.2
386.09280	1.0
399.26224	1.1
401.23053	1.0
409.19626	0.9
419.24161	5.5
437.25211	6.2
451.26801	4.0
480.08676	0.9
578.13721	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	578.3529
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45357	1.3
53.03929	4.2
55.01857	3.6
55.05500	12.1
57.03421	5.3
61.02899	1.8
63.10941	1.1
67.05495	20.3
69.03416	3.8
69.07056	9.5
69.89687	6.4
69.90106	2.0
71.04992	10.1
72.08055	1.1
79.05479	21.2
80.11241	1.0
81.03402	5.4
81.07047	57.8
81.53440	1.2
83.05013	3.4
83.08599	8.5
85.02883	4.4
85.06545	2.6
91.05465	17.4
93.07037	18.5
95.04965	9.4
95.08593	13.9
97.02908	2.7
97.06503	2.7
97.10168	2.7
99.08085	1.9
103.05484	1.6
105.07022	14.7
107.04945	7.6
107.08594	15.3
109.02821	1.3
109.06510	25.6
109.10117	6.2
111.04443	3.7
111.08047	2.9
112.16421	1.1
117.07007	7.4
119.08574	15.4
121.06487	6.3
121.10121	10.1
123.08064	4.4
123.11681	3.5
125.09596	1.6
127.03867	1.9
129.06989	1.9
131.08549	9.8
133.06570	1.6
133.10114	11.8
135.08044	4.6
135.11662	6.3
137.09625	3.9
137.13208	1.7
139.11282	1.4
141.06926	1.4
145.10118	6.8
147.11664	9.0
149.09622	7.8
149.13255	5.2
151.11107	1.3
151.22089	1.3
157.10091	2.6
159.11696	5.5
161.13283	2.6
163.11182	6.9
163.14854	2.8
165.12779	3.8
166.53839	1.2
169.10120	1.5
171.11694	2.1
173.13222	3.2
173.86728	1.3
175.11195	1.8
177.12750	3.6
187.14906	1.8
191.14247	1.8
199.14865	1.3
205.12375	1.7
214.93860	1.4
229.19508	1.9
247.20564	2.0
257.19006	3.4
261.22040	2.4
275.20053	40.6
288.47656	1.4
293.21045	4.4
307.22632	4.2
349.23703	100.0
353.26794	1.8
367.24753	13.3
381.26285	41.8
419.24103	1.6
437.25412	1.9
539.52142	1.5
596.30164	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2667
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02362	1.3
52.31815	1.2
53.00298	1.3
53.03942	4.7
55.01868	6.6
55.05507	16.5
57.03424	6.9
57.07069	3.2
61.02903	1.9
65.03934	2.0
67.05499	37.5
69.03429	7.7
69.07058	11.9
70.06598	1.3
71.04988	4.0
71.08607	1.6
71.73094	2.5
73.02901	8.9
75.04498	1.7
75.30667	1.5
79.05487	43.3
79.05932	3.3
80.29230	1.4
81.03402	10.8
81.07049	42.8
83.04974	4.6
83.08604	7.6
85.02872	7.9
85.06528	4.0
85.10170	1.8
91.05458	40.9
93.07037	59.2
95.04971	8.0
95.08598	31.0
97.02905	3.3
97.06525	5.1
97.10156	2.1
98.98466	17.5
99.04459	5.4
99.08084	3.5
105.07018	46.9
107.04922	3.9
107.08578	34.0
109.02881	17.3
109.06522	4.7
109.10155	13.7
110.03658	5.2
111.04435	6.7
111.08052	2.3
113.09647	2.5
115.05415	1.4
117.07014	16.2
119.08577	40.6
121.10141	26.1
123.08056	2.8
123.11710	4.2
125.09615	1.4
127.03922	7.1
128.06253	1.3
129.06985	7.4
131.08554	20.5
132.99585	2.5
133.10107	38.7
135.08073	3.1
135.11664	21.3
137.09608	2.4
137.13316	1.8
139.01711	1.4
141.06993	2.7
142.07747	3.1
143.08568	8.3
145.06500	2.3
145.10107	20.8
147.11668	33.2
149.09613	6.5
149.13248	16.0
151.11137	2.2
155.01013	18.1
155.08522	1.5
157.10117	9.8
159.11671	18.2
161.09554	2.2
161.13252	24.2
163.11176	4.5
163.14803	6.5
165.12772	3.7
169.09981	1.7
171.11662	13.3
173.13281	11.2
175.11102	1.7
175.14845	10.7
177.12790	4.0
177.16339	2.0
179.14326	2.1
185.13242	10.0
185.55740	1.3
187.14850	4.3
189.16414	1.6
191.00061	6.4
192.49614	1.5
199.14774	7.0
209.01135	2.0
213.16382	3.6
231.17453	3.3
231.21124	6.0
241.19496	28.0
243.21072	7.5
257.18985	1.9
259.20554	79.3
261.22153	14.5
275.20032	5.8
277.21521	6.9
293.20831	1.5
301.21561	3.5
317.06360	3.8
333.24176	5.8
335.25754	11.0
349.23993	1.6
351.25293	100.0
375.25092	2.9
390.20819	1.5
404.41223	1.4
441.26511	2.0
449.19928	2.2
505.22745	2.1
559.25714	5.1
577.25446	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2674
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	4.6
55.01868	5.4
55.05511	12.4
57.03429	7.2
57.07065	3.4
61.02930	1.7
65.03941	1.9
67.05143	1.9
67.05502	31.6
69.03419	7.4
69.07056	9.8
70.12570	4.3
71.04977	3.7
73.02930	5.7
79.05489	41.2
81.03410	7.6
81.07053	36.0
83.04990	2.7
83.08617	6.1
85.02916	6.8
85.06555	1.9
87.25629	1.1
91.05472	40.4
93.07040	54.6
95.04980	4.6
95.08600	24.9
97.02885	3.9
97.06535	2.9
97.10163	3.3
98.98470	3.0
99.04458	4.8
99.08091	2.0
101.34068	1.2
103.05444	1.4
105.04555	1.2
105.07022	43.2
107.04922	1.3
107.08582	33.6
108.96363	1.1
109.02869	12.7
109.06506	3.2
109.10147	11.0
110.03653	5.4
111.04434	8.6
111.08057	1.5
113.09612	1.9
115.05446	2.1
117.07025	11.9
119.08571	33.7
121.06523	2.4
121.10138	24.9
122.26798	1.2
123.08107	1.2
123.11681	1.8
125.09599	1.4
127.03901	6.2
128.06206	1.2
129.05521	1.4
129.06982	8.3
130.07767	1.5
131.04913	1.5
131.05917	1.1
131.08557	20.7
132.99577	1.9
133.10117	34.4
135.08044	1.4
135.10661	1.8
135.11687	28.0
137.09596	1.4
143.08578	7.6
145.10123	15.2
147.07892	1.1
147.11673	35.4
149.09621	4.8
149.13243	17.6
153.01527	1.0
155.01056	3.5
155.08492	1.7
157.10100	6.3
159.11679	15.1
161.13239	21.5
163.11172	3.8
163.14812	4.9
170.11060	1.1
171.11688	8.9
173.13234	8.4
175.11142	2.1
175.14798	12.7
177.12787	2.1
183.11678	2.1
185.13284	10.5
187.14890	2.8
189.12787	2.3
191.00052	6.4
197.13338	1.2
199.14830	5.9
203.14374	2.0
213.16382	4.0
217.16017	1.1
217.19582	1.8
231.17421	1.7
231.21104	6.7
241.19498	27.7
259.20563	78.3
261.22177	4.4
275.20032	1.9
275.86182	1.2
277.21573	7.6
301.21567	2.8
333.24310	8.9
335.25702	1.4
349.23920	2.1
351.25302	100.0
352.25616	2.6
367.22513	2.5
375.25320	2.0
396.77106	1.3
399.03409	1.3
431.19009	2.2
441.26620	1.6
449.20041	2.4
467.20486	1.8
541.25226	1.5
559.25751	3.2
577.26923	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	577.1546
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	0.5
57.03419	1.0
68.05032	0.4
70.06586	2.8
71.04981	5.1
71.76054	0.4
72.08147	0.6
75.24847	0.4
79.01862	1.1
81.03397	0.5
84.08129	1.3
85.02888	6.1
86.09682	1.9
91.05820	0.6
93.03426	0.5
110.07163	1.1
111.04362	0.5
120.08108	1.0
123.04327	0.5
127.03901	0.6
129.05473	0.8
129.10269	0.7
131.04861	0.5
135.04443	1.1
137.02322	8.8
137.05974	1.4
161.02391	1.2
161.05945	0.5
163.03876	1.0
165.01845	1.9
165.05455	0.4
173.98137	0.4
179.03346	1.5
180.29117	0.4
183.02881	1.2
191.03365	1.2
192.04065	0.5
205.04910	0.7
207.06493	1.1
229.05023	1.4
233.04491	1.9
235.02306	1.5
243.06586	0.6
255.06754	0.6
259.06006	1.1
271.06030	2.6
272.06818	3.4
287.05441	4.1
295.06046	1.6
297.07529	1.8
299.05463	47.2
300.06226	20.6
301.06970	1.5
310.04749	0.6
311.05432	7.5
311.08783	0.8
313.03680	0.6
313.06985	16.7
315.05075	2.7
321.07166	0.5
323.05469	2.0
324.06219	1.5
325.06863	3.1
327.04962	8.8
328.05695	1.3
329.06534	52.6
330.06998	1.2
331.04694	0.6
335.79266	0.5
339.04898	1.7
339.08624	5.6
341.06512	6.9
345.05988	0.7
349.07040	1.0
351.04974	0.9
353.06552	1.4
355.04300	0.8
357.05991	1.4
357.09805	0.8
359.07520	6.0
367.08109	4.3
369.06027	12.2
371.07718	0.7
385.09137	4.5
387.07108	5.9
395.07565	9.1
403.10223	0.9
413.08652	22.8
414.09204	0.5
431.09692	100.0
432.09909	1.9
577.14795	3.9
595.83771	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45896	0.5
52.15773	0.4
56.91519	0.6
57.03438	0.9
68.99792	0.7
70.06572	2.4
70.46431	1.9
70.83716	0.6
71.04971	3.3
72.08127	0.7
74.06081	0.5
79.01819	1.1
83.87489	0.5
84.08129	1.3
85.02896	3.6
86.09697	1.7
98.21341	0.6
120.08095	0.9
121.02854	0.8
127.03851	0.7
129.05476	0.6
129.10207	0.6
135.04388	0.9
137.02325	7.7
137.05983	0.7
138.07671	0.6
159.43289	0.5
161.02364	1.0
163.03868	0.8
163.07509	0.6
165.01834	2.1
177.01871	0.7
179.03421	1.3
181.01788	0.6
183.02849	0.8
187.03807	0.6
191.03384	0.8
192.04068	0.8
229.04962	1.5
233.04465	2.4
235.02496	1.3
251.05428	0.9
259.06091	0.8
271.06024	1.9
272.06760	2.1
287.05453	4.2
295.05997	1.5
297.07538	1.1
299.05478	36.3
300.06253	17.7
301.06897	1.2
311.05435	6.3
313.03406	1.3
313.07004	15.8
313.10559	1.1
315.05182	2.6
321.07489	0.8
322.89136	0.6
323.05508	2.2
324.06259	0.9
325.06976	1.8
325.10474	1.8
327.04950	8.5
327.08539	1.1
328.05676	1.3
329.06519	48.5
330.07202	0.6
332.05341	0.6
339.04895	1.6
339.08655	4.3
341.06549	5.9
345.06210	0.8
353.06616	1.7
357.06055	1.5
357.09955	0.9
359.07550	5.9
367.08127	4.0
369.06073	10.8
377.06140	0.6
385.09225	4.7
387.07056	5.6
395.07605	7.7
403.09644	0.7
413.08655	18.1
431.09692	100.0
432.10114	2.0
511.12991	1.1
523.12958	0.6
541.13837	1.6
577.14154	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	577.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35354	2.3
55.01883	4.6
57.03432	4.6
64.05711	1.8
67.05495	2.5
68.99810	2.0
69.03418	3.6
70.06580	5.9
71.02375	5.7
71.04992	2.2
81.03423	3.0
83.42032	1.9
85.02888	6.7
89.03979	1.9
91.05479	2.7
107.04976	3.7
109.02875	3.5
115.87912	1.9
117.83392	2.0
118.06873	4.3
119.04922	11.2
121.02860	41.6
130.65169	2.1
137.02319	5.0
141.01791	3.3
145.02855	5.8
149.02316	3.1
161.06099	2.6
163.03992	2.1
165.01854	14.7
167.03412	2.9
175.03905	3.1
177.01828	5.0
179.03369	8.1
183.02910	4.6
187.03973	3.9
189.01805	11.0
191.03392	10.2
195.02927	7.1
197.63338	2.3
203.03285	9.5
205.05045	2.8
207.02863	11.3
209.04399	3.8
215.03397	2.6
217.01299	3.2
217.04984	7.2
219.02887	12.0
221.04445	4.1
223.80432	2.3
229.04948	6.3
231.02824	2.6
233.04355	4.0
235.02228	2.6
243.02866	2.4
251.07220	2.9
253.48892	2.2
255.02855	4.6
257.04443	2.7
259.02414	2.3
267.06482	16.0
268.07147	6.2
270.05273	3.9
271.05975	10.2
274.12283	2.8
279.06558	16.3
280.07162	2.9
281.08112	11.1
283.02805	4.3
283.06000	91.1
284.06677	10.7
285.03763	2.9
288.20889	2.0
291.06555	3.4
293.08075	6.2
294.05179	22.3
295.05997	90.3
295.09015	3.3
296.06653	7.8
297.04007	6.7
297.07471	41.0
299.05399	15.8
305.08163	4.4
307.05997	82.0
307.09302	3.4
308.06732	18.0
309.03934	7.7
309.07458	47.2
311.05484	23.5
313.07043	45.1
318.08942	2.7
319.06091	10.1
320.06812	5.1
321.07541	22.9
322.08398	10.2
323.05444	18.1
323.09167	23.9
325.07034	83.6
326.07843	2.1
327.04980	5.6
333.07535	10.7
335.05374	17.9
335.09143	25.6
336.06165	3.0
337.07028	77.9
339.05008	2.9
339.08746	2.3
341.06458	7.9
347.05289	4.4
347.09201	12.9
349.07092	20.6
351.04959	2.9
351.08615	36.8
353.06543	58.9
355.08087	8.5
361.06918	15.4
361.10779	2.5
363.08603	23.1
365.06491	32.3
365.10260	6.7
367.07953	4.4
371.07861	3.4
373.07050	5.6
375.08618	10.5
377.06488	12.1
379.08139	49.4
381.09854	5.3
385.07129	6.0
389.06366	3.7
391.08179	25.5
393.09787	3.6
395.07559	10.8
397.09143	100.0
398.09384	2.4
403.07861	22.1
403.12234	2.0
405.09827	3.4
407.07510	3.0
409.09131	67.6
413.08722	3.4
415.10150	28.0
417.09442	3.7
419.07330	12.3
420.08221	2.7
421.09119	18.9
427.10284	27.6
431.08636	6.1
437.08496	7.9
439.10153	29.9
443.07236	2.7
447.10706	3.7
449.08386	5.2
457.11313	38.7
459.10559	4.0
461.08423	5.4
463.10336	20.5
475.10159	4.7
477.11707	4.0
481.11258	50.8
482.19968	2.0
487.10013	6.4
493.11212	20.3
497.10611	3.3
505.11261	23.6
511.12512	18.6
523.04865	3.6
523.12299	27.9
541.13434	33.4
559.14423	18.1
577.30957	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	577.1547
Annotation	Maysin
Peak:m/z	Relative Intensity
55.55571	1.3
57.03426	4.8
63.40339	1.4
67.58221	1.3
69.03425	1.8
70.06574	5.3
70.39739	5.2
71.04982	40.2
75.04467	1.9
77.44986	1.4
82.97749	1.4
84.08126	2.5
85.02895	41.7
86.09683	4.1
88.96795	1.5
94.45953	1.4
98.21368	2.0
111.04364	1.7
120.08062	2.0
129.05470	6.0
129.10252	1.7
135.04381	2.6
136.07555	1.7
136.81036	1.4
137.02338	6.0
137.05981	2.4
159.04202	1.6
161.02322	2.5
165.01830	8.7
167.03372	1.8
179.03403	4.0
181.01553	1.6
183.02870	4.6
189.05301	1.5
195.02905	2.9
202.06068	4.7
229.82809	1.5
245.04526	2.2
271.05777	1.6
275.08932	11.0
283.05975	5.7
287.05405	10.3
290.09286	1.6
294.08539	5.2
295.06009	9.4
297.07614	4.9
299.05475	80.1
299.21304	1.6
300.06155	9.5
311.05511	18.3
313.03387	4.4
313.07025	19.8
315.04947	9.1
323.05447	17.2
324.06415	1.9
325.06973	13.1
325.10425	100.0
326.10751	1.8
327.04971	6.6
327.08524	2.7
329.06525	44.5
329.10278	3.0
339.04791	6.1
339.08646	20.8
340.05258	1.5
341.06439	11.5
349.07040	5.7
351.04883	5.9
353.06534	5.6
366.13016	2.0
367.08096	18.7
369.06036	35.9
375.61050	1.7
377.06757	1.9
385.09369	4.3
387.07053	2.6
395.07584	41.0
413.08643	91.8
431.09686	69.3
533.45227	1.9
577.13062	1.8
577.20428	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	577.1546
Annotation	Cassiaoccidentalin B
Peak:m/z	Relative Intensity
55.01881	1.8
57.03427	3.6
64.24957	1.6
65.03949	2.0
70.31470	7.1
71.05009	1.9
81.03411	1.5
85.02888	6.9
87.04440	2.0
91.05471	2.8
93.03389	2.6
97.02900	2.0
107.04931	1.6
109.02905	1.8
115.40011	1.3
119.04922	9.8
121.02850	38.8
121.06502	1.7
139.57260	1.4
145.02817	3.2
159.04405	2.9
161.02333	3.5
163.03873	2.4
165.01802	4.1
175.03905	3.5
177.01770	4.2
177.37929	1.6
179.03365	3.9
189.01765	10.0
190.02548	2.0
191.03419	3.6
195.02815	10.8
203.03355	18.5
207.02898	11.2
215.03406	3.1
217.04922	10.6
219.02904	4.4
221.04431	5.0
227.03358	2.8
229.04858	5.5
231.02867	4.2
233.04430	3.2
235.05984	3.5
239.06874	2.1
241.04932	2.6
247.05836	1.7
255.02934	4.5
267.06491	5.6
268.07291	7.0
269.08029	1.6
273.03955	2.3
279.06534	6.1
280.07074	2.3
281.08145	3.6
283.06018	20.3
284.06491	1.7
291.06613	2.1
292.07040	1.9
293.08054	4.6
294.05215	13.9
295.05972	100.0
296.06674	9.7
297.07516	25.5
299.05402	7.8
304.07037	2.1
305.07953	2.5
307.05969	74.3
308.06680	16.1
309.04108	2.1
309.07440	22.8
311.05441	2.1
312.06207	3.6
313.06995	6.3
317.08063	2.9
319.05960	9.1
320.06741	6.1
321.07553	42.9
322.04858	2.4
322.08179	7.2
323.05435	8.1
323.09140	4.8
324.06247	3.7
325.07007	68.5
326.07523	7.1
327.05048	2.5
329.06891	2.1
331.06122	2.1
333.07797	8.5
334.04678	3.1
335.05353	6.7
335.09100	25.1
336.06226	5.3
337.07010	41.0
337.10934	3.5
339.08713	3.7
345.07516	6.9
346.08282	2.4
347.05426	5.4
347.09161	10.0
349.06995	33.0
349.11096	1.8
350.07886	4.8
351.08539	12.2
353.06488	15.1
355.08160	2.9
360.06049	1.7
361.07019	17.5
362.07828	2.5
363.08563	20.0
365.06357	5.2
365.10220	4.9
367.08151	7.5
373.07120	7.6
375.08487	7.3
377.06296	8.2
378.07370	3.8
379.08105	23.3
381.09570	2.8
385.07199	7.1
387.08582	2.7
389.06104	3.2
389.10397	2.4
391.08069	44.2
392.08685	2.0
393.09637	6.3
395.07449	5.1
397.09164	3.3
403.07904	15.6
407.07285	2.2
409.09125	60.8
413.09006	1.9
415.09802	4.6
417.09744	4.5
419.07678	4.7
421.09109	18.5
427.10178	30.1
429.09650	1.7
431.09998	2.8
433.09021	2.4
435.10748	2.2
437.08649	3.9
438.09317	2.4
439.10239	31.7
445.08548	2.3
456.09879	2.3
457.05142	3.2
457.11267	39.5
459.10580	2.8
463.10257	15.5
475.10150	10.2
477.11252	2.5
481.11264	59.8
487.10184	7.8
493.11154	16.6
505.11209	24.5
511.12506	18.3
518.65399	1.7
523.12354	29.0
541.13324	43.5
559.14362	14.7
577.15442	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1545
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	2.2
57.03417	2.8
61.02913	4.0
69.03408	3.0
70.90927	2.5
70.91256	3.1
71.04975	1.8
85.02879	7.4
86.52132	1.6
98.56551	1.6
103.05428	1.6
105.03368	1.6
107.04913	2.9
109.02870	5.1
115.64191	1.7
119.04909	8.2
121.02845	34.0
131.04938	2.5
135.04454	1.9
137.02211	3.6
139.59816	1.7
145.02788	4.6
147.93329	1.5
161.02417	2.8
163.03786	3.9
175.03932	1.8
177.01881	3.2
179.03404	4.8
187.03831	2.6
189.01788	8.4
190.02498	1.7
191.03297	6.3
195.02924	13.3
203.03368	12.6
205.01276	12.7
205.04857	2.1
207.02818	10.4
215.03334	2.6
217.04930	7.4
219.02844	7.8
221.04471	5.0
223.02415	3.9
227.03329	2.2
229.04933	2.8
233.04385	2.3
235.02469	3.6
235.05917	1.8
239.03513	2.1
241.04895	2.7
243.02875	2.0
245.04208	2.3
254.05482	1.9
255.02901	5.6
257.04486	2.7
266.05652	2.2
267.06525	2.8
268.07068	2.1
279.06491	6.7
281.08075	3.0
283.02536	2.7
283.05960	9.4
284.06778	2.8
291.06479	1.9
293.07886	2.2
294.05197	13.5
295.05963	85.4
296.06650	8.1
297.07504	6.6
297.11868	1.3
299.05518	2.9
305.08054	3.1
307.05963	30.8
308.06781	8.8
309.03952	9.7
309.07495	26.9
310.04626	16.6
311.05453	21.3
313.07043	6.2
317.08328	2.5
319.06012	5.5
320.06668	4.4
321.04160	2.2
321.07513	27.9
322.04660	2.7
322.08090	4.5
323.05475	90.3
323.08975	4.4
324.06265	9.6
325.06992	46.6
331.06171	1.8
333.07550	10.4
335.05338	11.4
335.09088	22.6
336.06226	4.1
337.07043	38.9
338.07645	2.6
339.04797	3.2
339.08572	3.6
341.06522	18.8
345.07465	6.3
347.09061	7.4
349.07040	28.7
349.10577	1.3
350.07758	2.1
351.04858	5.5
351.08536	10.7
352.05688	2.5
353.06522	62.7
354.07135	2.5
355.08066	2.3
361.06900	13.6
362.07697	2.9
363.04532	3.0
363.08575	23.0
365.06430	22.5
365.10193	3.1
367.08069	7.9
373.06793	8.4
375.04709	6.1
375.08929	9.1
377.06424	21.4
379.08035	14.2
381.09778	2.7
383.07339	3.1
385.06668	2.3
389.06305	5.3
389.10559	3.0
391.08124	27.5
393.09818	3.0
395.07602	15.2
401.06317	8.4
403.08054	7.1
405.09900	2.5
407.07516	43.2
409.09094	27.2
419.07516	23.3
421.08859	9.8
425.08334	4.1
427.04761	3.4
427.10202	52.3
428.10312	1.8
431.07449	3.8
435.10211	2.7
437.08667	17.5
439.10162	21.5
449.08313	2.6
455.09433	8.1
457.11240	50.9
459.10413	2.9
461.08426	3.8
463.10172	14.9
473.10724	5.8
475.10129	3.9
479.10071	2.0
481.11249	100.0
482.11453	6.1
487.10007	7.0
493.11261	12.3
497.10831	2.5
499.12366	4.0
505.11359	21.2
511.12375	31.5
523.12305	41.1
541.13385	57.4
559.14417	23.2
573.02319	1.7
577.15186	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	577.1545
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12455	1.8
54.66674	2.2
55.93512	2.3
57.03421	2.7
68.99807	2.4
69.03426	4.4
69.45213	12.3
69.45641	9.2
85.02882	7.3
86.65377	2.1
91.05500	2.2
91.19041	2.0
93.46381	2.1
96.45191	2.0
106.39089	2.0
107.04987	3.0
109.02846	3.6
111.65258	1.9
119.04939	9.7
121.02847	40.3
124.75056	2.1
131.13995	2.0
133.55283	2.1
135.04323	2.2
145.02818	3.8
159.04448	2.1
163.03877	4.5
165.01834	3.1
171.04471	3.0
175.03886	2.2
177.01891	3.9
179.03412	2.7
189.01814	8.3
190.02713	2.5
191.03412	8.2
191.45805	2.0
195.02863	8.2
201.01794	2.6
203.01643	2.1
203.03430	11.7
205.01408	2.8
207.02861	11.1
215.03357	3.3
217.04938	5.1
219.02919	11.5
221.04340	3.3
223.02368	6.4
229.01292	3.5
229.04961	4.1
231.02856	3.2
233.04372	5.6
255.02829	3.1
257.04233	3.3
259.02359	2.5
267.06461	4.9
268.07291	7.3
269.04501	2.1
279.06427	5.4
281.08090	7.5
281.65915	2.1
283.05975	9.8
284.06711	4.5
285.03918	3.8
293.04752	2.3
293.08081	4.7
294.05212	23.5
295.05966	84.6
296.06769	5.7
297.07428	13.3
299.05505	5.2
307.05957	49.9
308.06808	18.0
309.04068	5.1
309.07495	45.8
310.04575	2.4
311.05396	17.4
313.06982	10.7
319.06012	11.6
320.06647	8.1
321.07507	35.7
322.04926	4.5
322.08456	9.6
323.05423	19.5
323.08981	4.8
325.07013	85.5
332.28113	2.8
333.07535	9.5
335.05356	12.6
335.09100	19.5
336.06238	3.5
336.09747	2.4
337.07016	89.0
339.04889	2.9
339.08813	3.8
341.06442	15.8
345.07660	3.9
347.05273	5.0
347.09171	10.0
349.07031	33.2
351.04648	4.3
351.08539	29.9
353.06491	21.4
355.08044	9.7
357.07498	2.9
361.06958	17.4
363.08679	21.5
365.06436	68.4
365.10284	9.9
367.08063	4.7
373.07074	5.3
375.08365	13.4
377.06448	19.9
379.08090	51.4
381.09573	6.1
385.06903	5.5
387.08603	3.3
389.06339	5.6
391.08121	30.9
393.09610	8.0
395.07495	24.6
397.09241	5.1
403.08020	25.9
405.09647	8.6
407.07559	6.6
409.09125	53.2
413.08698	2.4
415.08609	4.6
417.09805	3.1
419.07541	20.4
421.09146	19.5
427.10205	55.5
431.07278	5.5
433.09033	3.8
437.08728	8.6
439.10199	40.6
443.07544	6.9
455.09558	4.7
457.11224	100.0
461.08710	8.5
463.10178	22.6
475.10172	6.3
477.11646	3.1
479.09610	6.3
481.11285	96.3
481.18277	4.6
482.11288	3.2
487.10599	5.9
493.10934	16.2
497.10504	5.7
505.11310	23.0
511.12286	54.0
515.11627	5.2
523.12292	41.2
534.06232	2.4
541.13446	66.8
542.13654	2.9
559.14478	46.5
577.15460	6.0
577.85199	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.5
55.01875	1.8
57.03431	2.8
61.02922	2.1
65.03934	1.5
68.99783	1.0
69.03407	1.4
70.06577	1.5
70.99818	0.7
71.01347	0.3
72.08121	0.5
73.02888	1.0
77.03921	0.4
79.05479	0.5
81.03405	2.5
81.07029	0.5
81.75266	0.3
83.01326	0.3
83.71176	0.3
84.08125	1.3
85.02894	7.3
86.09655	0.3
91.05470	1.9
93.03352	1.4
95.01253	0.4
95.04951	0.7
97.02852	1.5
103.03922	2.4
103.05445	0.7
105.03365	0.7
105.07011	0.6
107.04955	3.4
109.02868	3.2
111.04420	1.8
115.05434	0.6
118.04159	0.3
119.04926	9.1
121.02848	39.3
121.06483	1.1
123.04385	0.5
129.10257	0.3
131.04895	1.3
133.02776	0.5
133.06471	1.1
135.04373	1.4
137.02293	0.4
137.05942	0.4
139.03876	0.5
141.01775	0.4
143.04926	0.7
145.02831	4.6
145.06442	0.4
147.04341	1.7
149.02258	0.4
149.05931	0.7
151.03867	0.9
155.04913	0.4
157.06462	0.6
159.04399	2.6
161.02318	1.1
161.05966	0.9
163.03880	2.0
165.01842	1.7
169.06427	0.4
171.04413	0.9
173.02374	0.4
173.05969	0.9
175.03897	2.5
176.01073	0.5
177.01773	2.1
177.05464	2.1
179.03381	2.7
181.04991	0.7
183.02943	0.7
183.04457	0.8
183.07965	0.4
185.05923	0.8
186.03191	0.3
187.03870	2.5
187.07523	0.4
189.01796	6.4
189.05426	1.4
190.02586	1.3
191.03371	3.0
192.04153	0.4
193.04948	0.5
194.02101	0.4
194.60789	0.3
195.02856	10.7
197.04396	0.9
197.05998	1.4
199.03874	1.5
201.01813	1.1
201.05486	2.8
202.02533	0.4
203.03368	16.8
204.04156	0.8
205.04933	3.7
207.00993	0.6
207.02863	8.7
208.03688	0.6
209.04326	0.4
211.03909	1.0
211.07468	0.4
213.05420	1.9
215.03369	3.8
215.07037	0.9
217.04935	6.9
219.02910	2.7
219.06416	1.9
221.04395	7.6
222.05032	0.3
225.03856	1.2
225.05515	1.1
227.03366	2.5
227.07010	0.6
229.04922	6.0
231.02853	2.2
231.06458	0.7
233.04453	4.9
235.06023	1.3
239.03397	1.2
239.06955	0.8
241.01263	0.4
241.04866	2.0
243.02953	2.3
243.06406	1.4
245.04448	1.9
247.02151	0.6
247.05896	1.8
248.08089	0.3
249.03691	0.6
251.07019	1.9
252.07796	0.8
253.04840	1.3
253.08592	0.7
254.05705	1.3
255.02885	3.9
255.06468	0.9
256.03671	0.3
257.04431	3.6
257.07175	0.4
257.08047	0.5
259.06030	0.4
261.03894	1.7
263.07178	0.5
265.05081	0.6
265.08582	0.5
266.05762	0.5
267.02884	0.8
267.06512	3.1
268.07254	5.4
269.04456	1.4
269.07825	0.7
270.05167	0.5
271.06012	1.5
273.03873	3.0
275.05402	0.4
277.05475	0.3
277.08539	0.8
279.06512	6.9
280.07281	2.0
281.04474	1.7
281.08072	2.9
282.05188	1.8
283.02737	0.5
283.05963	9.3
284.06744	1.6
285.03906	3.3
285.07230	0.7
289.08469	0.7
290.09372	0.4
291.06476	1.1
291.09897	0.5
292.07162	1.7
293.04712	0.6
293.08002	7.6
293.11200	0.5
294.05203	6.7
294.08807	1.6
295.05984	100.0
296.06702	7.7
297.04129	0.7
297.07480	8.6
299.05603	0.8
301.08511	0.9
303.05191	1.0
303.10074	0.3
304.07303	1.7
305.07983	3.2
306.08850	1.1
307.05981	47.7
308.06744	22.5
309.03970	1.7
309.07489	13.4
310.04535	0.4
311.05444	0.9
312.06039	0.5
313.07022	3.8
315.06421	0.3
315.09982	0.4
317.08102	3.9
318.08884	1.1
319.05957	3.6
319.09692	2.0
320.06729	5.6
320.10233	0.5
321.07535	46.1
322.04816	0.9
322.08282	17.9
323.05423	3.0
323.09106	7.6
325.07013	94.4
326.07278	1.7
327.05115	0.5
329.08151	2.3
331.05939	1.1
331.09677	1.2
332.06793	1.2
333.03491	0.6
333.07529	13.8
334.08218	2.3
335.05441	2.3
335.09073	20.6
336.06158	3.5
336.09927	1.8
337.07028	30.1
337.10474	1.5
338.07355	0.6
339.04858	0.8
339.08664	2.6
343.09549	0.9
344.06766	0.5
345.07498	4.8
345.11359	0.4
346.08310	2.2
347.05438	1.1
347.09082	17.0
348.09793	0.6
349.07013	44.5
350.07672	2.8
351.05237	1.7
351.08597	37.8
352.09000	0.8
353.06442	1.1
355.08115	0.6
357.07556	2.7
359.09094	2.1
360.06213	1.1
361.06946	23.8
361.10822	4.6
362.07529	1.2
363.08588	9.6
364.09448	0.4
365.06357	1.3
365.10214	12.3
367.08105	3.5
371.09042	1.1
373.06982	8.5
373.10526	0.5
374.07779	2.7
375.05197	1.1
375.08636	16.5
376.09375	0.4
377.06024	1.8
377.10663	2.0
378.07230	0.6
379.08063	74.2
380.08569	1.6
381.09799	0.6
385.06879	5.2
385.11078	0.5
387.08575	4.9
389.06293	0.7
389.10345	5.2
391.08066	32.9
392.08542	1.0
393.09634	3.1
395.07938	0.5
397.09033	1.3
399.08438	1.8
401.06448	0.4
401.10410	4.1
403.08020	27.8
404.08401	0.5
405.09955	1.6
409.09131	48.3
410.09424	0.7
411.08334	0.5
413.10397	2.0
415.07990	5.3
416.08725	0.5
417.09601	4.1
419.06860	0.4
421.09134	25.1
422.09842	0.4
423.10431	0.3
425.08502	0.5
427.10239	48.0
428.10474	0.9
429.09616	1.4
431.11191	1.2
433.09146	5.6
435.10672	1.1
439.10202	29.5
440.10114	0.6
441.09787	0.7
445.09674	7.8
447.10693	0.8
449.12253	1.0
451.10062	1.0
457.11258	75.9
458.11884	1.6
459.10611	1.2
463.10184	10.3
467.13370	0.6
469.09158	1.9
475.10193	3.9
477.11844	0.9
481.11237	43.9
482.11542	1.0
487.10217	5.1
493.11185	5.6
495.12668	0.5
499.12296	25.4
500.12796	0.8
505.04892	0.2
505.11145	9.6
511.12308	25.0
512.12415	0.6
523.12311	27.0
524.12708	0.8
529.13409	8.6
541.13367	29.5
542.13959	0.4
559.14410	24.1
560.14600	0.6
577.15338	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	577.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	1.8
55.01855	1.5
55.05503	1.8
56.99256	1.7
57.03423	2.2
61.02924	4.0
66.41439	1.3
69.03408	3.8
70.06586	12.4
71.74065	2.0
72.08144	4.2
73.02893	2.7
76.95341	1.4
79.05487	1.7
81.03409	4.3
83.04974	2.1
84.04494	4.3
84.08131	7.8
85.02894	12.3
86.09687	4.8
93.07043	1.9
96.06950	1.8
97.02869	2.9
103.03928	4.0
107.04932	3.1
107.08542	2.1
109.02883	4.7
111.04420	2.7
119.04930	10.4
121.02858	31.8
121.06517	2.3
121.11388	1.5
127.03922	2.6
129.05507	1.8
130.06494	4.3
131.04906	3.0
133.06273	1.7
135.04405	5.0
135.55096	1.5
137.02301	8.9
137.05956	2.1
138.02637	1.9
145.02829	3.0
145.06383	2.0
147.04398	2.8
161.02342	3.0
161.06058	2.2
163.03886	2.7
165.01860	4.8
171.04431	2.1
175.03883	2.9
177.01889	2.3
177.05421	3.0
178.71597	1.6
179.00955	1.4
179.03386	3.9
185.14932	1.6
187.03900	2.3
189.01855	6.8
189.05542	1.7
191.03358	5.7
195.02840	15.2
197.04399	1.7
199.03918	2.4
199.07779	1.7
201.05496	3.8
203.03397	19.6
204.03796	1.6
205.04836	4.0
207.02858	11.2
209.04584	2.3
215.03290	3.0
217.04997	7.6
218.05327	1.9
219.02864	5.3
219.06645	1.7
221.04358	8.3
225.05580	2.0
227.03317	2.9
229.01654	1.5
229.04964	4.8
231.02797	3.2
233.04411	2.6
235.05974	1.7
241.05220	1.7
243.02832	3.3
245.04297	2.1
249.04002	2.2
255.02989	3.7
255.06685	1.8
261.03925	1.6
267.06503	4.2
268.07147	3.5
269.04663	1.6
269.07938	2.2
271.05896	2.3
273.03882	2.7
279.06461	7.8
280.07095	2.8
281.04770	1.7
281.08035	4.5
283.05972	44.5
284.06744	4.7
293.08099	5.8
294.05081	10.4
295.05988	100.0
296.06717	8.7
297.07507	16.4
299.05450	2.0
302.85718	1.9
305.08023	2.2
307.05975	56.6
307.09406	3.6
308.06717	18.5
309.04163	2.4
309.07492	24.4
311.05450	22.7
312.05847	26.9
313.06860	6.9
316.16516	3.2
317.08221	3.1
319.05899	5.1
319.09283	1.9
320.06723	6.2
321.07559	38.8
322.08252	11.3
323.05508	9.5
323.09076	7.4
324.05923	5.1
325.07040	78.7
326.07443	5.1
333.07559	13.1
334.08163	2.8
335.05441	6.1
335.09131	21.6
336.06268	5.0
337.07025	55.4
337.11008	3.6
338.07416	8.4
339.08514	5.0
341.06473	8.7
342.06897	7.0
345.07382	6.4
346.08224	1.8
347.05386	2.7
347.09158	14.1
349.07074	44.7
349.11218	3.2
350.07462	3.7
351.08551	25.6
352.08966	3.8
353.06302	9.0
355.07861	3.6
357.07397	2.8
360.06174	2.7
361.07059	23.9
361.11047	3.5
362.07452	2.9
363.08664	16.8
364.09378	2.0
365.06284	11.7
365.10236	5.5
366.06781	8.8
367.08014	12.8
373.07162	8.3
374.07788	2.9
375.08575	12.6
377.06552	5.9
377.10687	3.0
378.06857	6.0
379.08118	45.7
380.08456	2.8
385.07001	5.6
387.08566	4.2
389.10315	3.3
390.07016	3.5
391.08093	43.9
393.09531	5.5
395.07501	7.1
396.07907	8.9
397.09097	7.4
403.07959	22.5
403.12476	1.6
405.09491	2.7
407.07544	6.1
408.07608	4.1
409.09171	52.9
415.10416	12.2
417.09805	3.0
419.07257	2.6
421.09085	24.1
426.08978	6.5
427.10248	31.3
428.09860	1.8
433.09445	3.0
435.10880	2.4
437.08386	4.5
439.10248	36.2
443.09238	2.2
444.09973	7.5
445.09180	9.1
455.09442	1.9
457.11295	56.4
459.11121	1.9
462.11069	4.1
463.10297	17.0
469.11823	1.6
475.10226	5.0
481.11267	54.1
487.10049	5.3
493.11246	20.5
497.10123	2.7
499.12317	11.4
505.11292	19.2
511.12283	21.7
523.12250	33.8
529.13171	4.4
541.13501	41.6
559.14325	27.4
577.15613	13.9
577.27917	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	576.2783
Annotation	Unknow
Peak:m/z	Relative Intensity
54.24275	3.7
55.05485	3.7
69.66759	33.3
70.06582	25.8
72.08144	4.9
79.05509	5.4
84.08134	14.8
86.09672	13.3
89.03809	5.0
91.05444	7.3
97.70437	3.8
97.98248	4.3
100.11247	3.8
103.05468	6.6
110.07163	4.5
119.04919	7.6
120.08060	6.9
129.10231	4.4
131.04909	13.6
133.06487	4.0
136.07545	5.4
137.05959	100.0
138.06335	6.3
141.78816	4.4
147.04387	7.2
149.05974	4.8
151.07535	15.6
157.06427	5.5
161.05960	12.7
163.07529	14.7
175.07518	11.5
181.06371	4.7
184.05385	3.8
187.07426	5.1
189.09157	4.7
198.06761	5.4
225.09068	7.1
227.10611	8.9
228.11014	6.3
233.09671	5.2
237.49893	4.9
267.06427	5.2
281.04294	4.6
287.12915	5.0
297.07602	6.8
339.05121	4.2
351.16022	7.8
353.13373	5.5
413.08524	5.1
478.33545	4.5
528.20776	5.2
558.21857	7.0
576.23462	21.2
576.33484	4.8
577.20404	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	576.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	0.9
55.01864	0.7
55.05504	8.6
57.03419	0.6
61.02898	0.5
65.03919	1.0
67.05494	0.6
69.03417	3.0
69.52076	2.7
70.06573	1.3
71.04975	0.7
71.24418	0.3
72.08141	0.4
73.02892	0.7
73.06546	5.5
81.03412	2.7
81.07039	0.7
83.04966	0.4
84.08123	0.8
85.02895	5.3
85.04022	0.4
86.09692	0.4
87.00819	1.7
87.04411	0.4
91.05457	0.4
91.07566	0.7
93.03394	0.4
93.07031	0.7
95.04919	0.3
95.08595	0.4
97.02877	2.6
99.04431	0.8
105.01845	1.2
107.08552	0.6
109.02868	2.7
111.04415	0.3
115.80075	0.3
117.01913	0.3
121.02848	3.0
121.03840	0.4
127.03896	4.1
129.01772	0.4
131.08522	0.8
137.02306	0.3
145.04970	1.1
145.10074	0.3
149.02318	100.0
150.02658	1.0
159.02870	1.0
159.04207	0.3
161.05949	1.4
167.03355	1.2
175.07527	5.3
181.08588	0.4
185.05869	0.3
190.05043	0.4
194.73357	0.3
203.07004	11.4
221.08055	14.0
231.05023	0.7
275.12720	2.8
279.99048	0.3
293.13800	28.5
294.14328	0.5
299.05472	0.6
300.06027	0.4
311.05530	0.8
312.05746	1.4
313.06802	0.5
323.05487	0.4
337.06958	0.5
339.04868	0.5
340.05304	1.2
351.08411	0.3
413.08722	0.8
414.09021	2.4
415.09515	0.5
430.08466	0.5
431.09668	0.5
469.13593	0.5
541.19135	0.6
548.26825	0.4
576.14185	1.3
576.29083	0.5
577.14716	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.6121
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01374	4.1
55.05507	32.0
57.07070	69.8
61.20181	4.1
67.05497	80.7
69.07056	51.0
71.00162	9.6
71.08632	43.9
74.28552	4.6
77.50611	4.6
79.05481	14.2
81.07048	87.4
83.08615	39.7
85.10187	31.1
91.05463	12.1
93.07037	15.6
94.06543	8.1
95.08596	100.0
97.10152	31.0
97.17210	5.5
104.45826	4.7
105.07088	5.8
107.08566	6.1
107.44756	4.7
109.10157	54.1
111.11729	22.6
117.07073	4.6
121.10090	5.5
123.11720	23.9
125.13268	15.7
133.10078	6.5
137.13309	9.0
147.11716	4.7
149.76160	4.9
151.14825	7.9
151.56941	4.7
165.16463	7.5
179.17851	5.6
182.14569	6.0
239.23767	8.0
262.25238	30.7
263.23709	6.2
296.25925	5.5
439.56888	5.8
446.44760	5.1
482.39191	14.9
541.30219	5.3
557.60260	11.7
575.50500	88.2
575.60938	15.0
576.50317	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	575.4664
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32531	1.9
53.03942	2.7
55.01859	2.5
55.05506	22.5
57.07054	9.3
65.03935	4.3
67.05498	93.2
69.07059	23.0
69.52854	11.2
69.53273	6.2
71.04976	3.6
71.08615	5.1
72.58849	1.7
75.02335	1.9
79.05478	23.1
81.07049	100.0
83.04953	2.0
83.08616	10.6
85.06546	2.8
85.10168	2.2
91.05464	10.1
93.07030	25.2
95.05006	2.0
95.08596	81.1
97.06515	5.7
97.10139	9.3
99.08080	2.9
105.07026	8.6
107.08594	14.1
109.06483	2.4
109.10138	31.0
110.10483	2.2
111.08064	3.0
117.07017	4.3
119.08582	9.2
121.06520	2.4
121.10130	13.7
123.11679	18.6
131.08528	7.5
133.10123	8.3
133.83606	2.0
135.11688	11.6
137.13264	11.1
145.10143	6.4
147.11714	4.4
149.09630	2.2
149.13243	7.0
151.14835	3.5
155.62520	1.9
159.11665	4.9
161.13226	4.3
163.11171	3.4
163.14848	3.6
164.73947	1.8
165.12639	2.6
173.13280	8.1
177.12802	4.2
177.16336	2.2
181.12233	3.5
189.11246	2.4
191.14272	2.5
195.13802	3.0
205.15927	2.1
209.15291	4.1
243.21191	4.2
251.58156	2.5
261.22202	7.8
279.23190	44.7
280.23434	2.3
313.27356	3.7
314.27676	6.0
457.51541	2.1
557.45209	2.8
575.47058	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	575.394
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05488	1.6
57.03415	0.7
57.07060	1.7
67.05500	2.4
69.07067	2.4
71.08624	0.8
79.05476	1.4
80.09676	0.3
81.07047	2.6
83.08602	1.4
85.06432	0.4
85.10156	0.6
89.03915	5.2
93.07022	0.9
95.04932	0.4
95.08582	2.1
97.10181	0.8
106.00914	0.3
107.04935	1.3
107.08546	0.5
109.10149	1.0
117.03378	5.4
135.04404	13.5
145.02832	8.7
163.03893	100.0
164.04219	1.3
181.04942	1.1
186.05486	0.9
268.93732	0.4
575.40582	2.8
575.49493	3.1
576.40167	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.2512
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	7.8
54.34047	1.7
55.01863	12.6
55.05510	16.3
57.03422	5.9
60.04504	2.5
61.00898	1.7
61.02907	2.4
67.05492	27.0
69.03431	17.6
69.07060	21.6
70.06580	3.5
71.04968	4.0
71.73574	2.3
73.02908	12.8
75.04478	1.9
79.05478	32.2
81.03410	18.0
81.07047	52.4
83.04964	6.5
83.08614	9.4
84.08139	4.1
85.02911	9.1
85.03352	2.0
85.06542	5.0
87.73547	2.1
89.06004	1.9
91.05468	39.4
93.07037	28.3
95.01338	3.3
95.04973	12.2
95.08598	24.1
97.02880	7.9
97.06516	19.2
97.10173	6.3
99.04446	7.1
99.08091	2.3
105.07016	45.3
107.04950	8.2
107.08580	15.8
109.02863	16.3
109.06502	9.5
109.10151	7.5
110.03628	3.7
111.04420	15.3
111.08028	3.1
117.06997	13.7
119.08562	32.6
121.06483	3.2
121.10130	7.9
123.08077	6.4
123.11778	3.1
125.09640	4.7
127.03906	7.1
129.07007	3.9
131.08562	20.1
132.99529	7.4
133.06468	2.3
133.10120	32.1
133.11041	3.5
135.08049	3.3
135.11684	8.1
136.13461	1.8
141.06952	2.0
143.08545	5.2
145.06470	2.9
145.10107	17.7
147.11674	16.1
149.09596	8.7
149.13254	6.3
151.11073	2.4
155.08720	2.1
157.10083	4.2
159.11681	10.5
161.09607	4.0
161.13268	5.5
163.11166	4.3
169.10146	2.0
171.11671	4.2
173.13292	3.4
177.12804	2.9
179.14275	9.7
183.11589	3.3
187.11169	4.7
191.00075	4.9
193.12260	2.2
195.11693	1.9
219.17456	5.1
227.12991	1.9
229.19495	4.3
239.18015	2.9
247.20575	3.5
257.19034	8.4
273.18378	2.8
275.20038	100.0
283.15240	2.8
293.21030	6.2
349.23734	25.5
476.40070	2.4
557.35052	4.0
575.25183	15.1
575.35559	7.4
575.49908	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.2516
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	3.3
55.01863	7.3
55.05503	9.8
56.99725	0.7
57.03429	5.1
57.07075	1.8
58.02227	0.8
61.02916	2.6
65.03938	1.8
67.05501	18.6
69.03426	12.6
69.07056	9.6
70.06575	1.8
70.92113	2.8
71.04987	2.7
72.08157	1.9
73.02906	10.7
79.05485	15.8
81.03417	8.4
81.07047	20.8
83.04969	7.6
83.08611	3.8
84.08133	3.3
85.02895	9.9
91.05464	16.8
93.07034	18.8
95.04955	6.2
95.08591	12.9
97.02888	4.5
97.06519	3.2
97.10146	2.7
97.37273	0.8
98.21378	1.0
99.04454	4.2
101.06062	1.0
103.05457	1.2
104.10717	1.1
105.07021	22.4
107.04931	5.3
107.08575	12.5
109.02872	16.2
109.06501	6.6
109.10144	6.2
110.03658	3.0
111.04430	12.5
111.08080	1.4
117.07027	5.4
119.08572	13.9
121.06500	7.0
121.10101	6.2
123.08080	3.4
123.11691	2.0
125.09629	1.2
127.03928	6.9
127.12372	1.5
129.07016	2.1
131.08569	11.7
132.99509	4.9
133.06505	3.0
133.10126	12.5
135.08044	3.3
135.11664	3.1
137.09593	2.4
141.07045	0.9
143.08551	4.7
145.06459	1.7
145.10097	10.4
147.08063	2.6
147.11662	8.6
149.09601	5.4
149.13261	3.2
151.00606	1.3
151.11208	3.0
155.08621	1.7
157.10123	3.9
159.08034	3.6
159.11694	6.3
161.09586	2.6
161.13283	2.9
163.11176	5.2
165.12790	1.2
169.10162	1.2
171.11670	2.2
172.99017	1.3
173.09607	2.3
173.13275	4.3
175.11240	1.7
175.14813	1.1
177.12775	2.8
183.11691	3.4
185.09531	0.8
187.14825	1.3
191.00027	5.5
191.14290	2.8
193.12254	1.0
194.49687	0.8
197.13248	1.2
199.11166	0.9
201.12779	2.8
207.13686	2.2
209.01234	1.4
215.14337	1.2
215.17999	2.0
219.13837	1.7
229.19492	1.2
239.18004	2.3
247.20534	2.6
257.18973	13.1
265.03900	1.1
271.16803	1.4
275.20035	100.0
276.20456	1.7
280.52457	1.0
293.21094	21.0
347.22147	1.0
349.23682	34.9
350.24408	1.3
367.24896	1.6
391.24844	2.9
409.25894	0.9
459.27359	2.1
539.22729	1.7
539.33832	1.1
557.23163	1.1
575.25244	9.2
575.34271	2.0
575.50134	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	575.2516
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	6.9
53.99182	1.0
55.01867	15.0
55.05507	13.5
57.03421	6.2
57.07065	2.4
59.04981	1.6
61.02912	2.1
65.03918	2.2
67.05499	32.3
69.03419	14.4
69.07059	20.1
69.99929	7.0
70.06600	1.3
71.04987	4.0
71.08621	2.7
72.08145	2.0
73.02914	11.9
79.05486	27.8
81.03408	15.3
81.07045	46.8
83.04972	7.4
83.08606	6.0
84.08120	3.3
85.02889	8.0
91.04922	2.6
91.05467	35.6
93.07037	25.0
95.01315	5.0
95.04956	8.1
95.08586	23.5
97.02866	5.4
97.06522	21.0
97.10149	3.9
99.04452	6.7
105.04448	1.6
105.07013	48.3
107.04955	8.5
107.08575	13.7
109.02876	16.2
109.06499	6.8
109.10144	8.0
110.03671	2.2
111.04435	15.4
111.08059	2.3
115.05431	2.9
117.07011	12.3
119.08566	29.3
120.49353	1.2
121.06487	3.8
121.10149	8.4
123.08031	3.9
123.11665	2.2
125.09627	1.9
127.03917	6.7
127.82010	1.2
129.06985	2.6
131.08540	16.5
132.99516	4.8
133.06471	1.6
133.10112	29.4
135.08035	4.6
135.11671	3.7
137.09567	3.3
141.06987	1.8
143.08534	3.3
145.04953	1.3
145.06436	2.2
145.10121	15.0
147.11659	13.5
149.09581	7.0
149.13260	3.7
151.00668	1.4
157.10107	3.5
159.11671	11.8
161.09575	2.2
161.13287	4.6
163.11186	4.9
169.10124	2.6
171.11687	5.3
173.13249	4.7
175.11172	2.2
177.12733	3.0
179.14265	12.4
181.12099	1.2
183.11668	2.9
185.13246	1.5
187.11147	3.6
191.00040	4.5
193.12271	1.4
197.13130	2.1
201.12747	1.7
205.12177	1.8
209.01151	2.9
219.17400	4.6
228.93394	1.1
229.19559	3.4
233.15282	1.4
239.17807	3.1
241.14307	3.0
247.20609	3.7
257.19046	8.2
273.18427	1.6
275.20038	100.0
290.05786	1.2
293.21088	6.4
331.64886	1.4
349.23682	23.2
524.90497	1.3
557.34106	1.6
575.24982	12.1
575.34778	3.4
575.49976	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	575.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
54.92320	0.2
55.05503	0.9
56.05030	0.6
57.03428	0.3
58.06591	3.2
60.04523	0.2
68.99783	0.5
70.06584	2.9
70.63769	0.9
71.04987	0.7
71.06936	0.3
72.08138	0.6
81.03397	0.6
83.04970	1.2
84.04498	0.6
84.08134	100.0
85.02894	1.5
85.08485	0.4
86.09707	1.1
94.15039	0.2
97.02905	0.4
98.09682	0.5
109.02862	0.4
111.04425	0.4
120.08112	0.4
121.06502	0.4
127.03898	0.4
127.12304	36.4
129.05461	0.4
129.10252	0.3
130.04980	0.4
131.54826	0.3
135.04414	0.7
137.02336	4.4
137.51265	0.3
147.06517	0.5
161.02397	0.4
179.03505	0.2
189.05421	0.4
194.08116	0.3
195.02878	0.3
199.03830	0.4
203.03345	0.5
207.02879	0.4
217.04948	2.3
229.05086	0.4
235.06041	0.7
257.08167	0.7
267.06503	0.3
271.61752	0.3
295.06140	0.5
297.07559	0.7
299.05588	1.1
307.05887	0.4
309.07422	0.5
311.05487	4.0
311.08875	0.5
313.07059	0.9
321.07397	0.6
323.05447	2.9
323.09238	0.9
324.06235	0.4
325.07068	1.3
333.07529	1.1
335.09152	1.0
336.06265	0.6
337.07043	2.2
337.10748	0.3
338.07523	0.4
339.04980	0.5
339.08563	1.5
341.06534	1.0
347.09152	0.4
349.07059	0.7
351.08569	7.6
353.06448	0.4
353.10196	1.5
363.08548	1.8
364.11844	0.4
365.06387	0.7
365.10239	1.6
367.07977	0.4
369.09628	0.3
377.06244	0.6
377.10352	0.8
379.07797	0.5
381.09702	2.2
382.13126	0.5
389.10483	0.3
391.11893	1.7
393.09601	0.8
394.12878	0.7
401.10126	0.3
405.09583	1.5
407.07251	0.3
413.08472	0.9
417.09775	0.5
418.12848	0.4
419.11108	0.4
425.08325	0.4
425.17102	0.4
432.09320	0.4
435.10464	0.7
436.13962	0.4
445.14331	0.3
447.10645	0.9
455.11536	0.4
455.17810	1.9
460.13867	0.6
465.11658	1.0
478.14594	0.5
479.18118	1.1
496.15976	0.5
497.10556	0.7
514.17175	0.8
521.19214	0.4
539.12939	0.4
539.20276	2.5
557.14417	0.7
557.21216	16.5
558.21405	0.6
575.22278	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	575.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	7.8
61.02913	2.6
69.03399	3.5
69.92600	3.2
69.93005	8.3
70.06577	2.5
73.02904	15.4
79.05490	4.4
83.06099	2.0
84.04494	31.7
85.02895	8.5
85.65447	1.7
86.09700	1.7
87.16716	1.3
96.04492	1.4
97.02879	4.2
98.20792	1.8
102.05527	14.2
106.06528	10.5
106.23421	1.4
107.04932	8.7
108.87579	1.4
112.03947	1.8
113.34493	1.3
115.03924	2.0
116.04967	4.1
130.05006	13.1
132.04494	1.4
132.06825	7.3
133.07561	9.7
134.06023	6.0
141.70718	1.6
144.08099	2.9
148.06044	5.5
156.08081	6.1
157.06061	1.9
158.04436	2.7
165.52333	1.4
171.09160	12.9
175.07184	1.4
185.07022	1.6
196.98962	1.4
199.08643	15.3
200.07199	1.7
217.09735	4.8
235.10806	2.5
236.09323	2.0
237.02779	2.0
245.09273	8.8
263.10269	8.2
267.13470	2.8
281.11288	100.0
282.11713	2.0
368.04471	4.0
429.18845	3.0
443.16617	57.4
575.20782	64.6
576.21436	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96561	0.7
57.03403	1.1
69.03387	2.2
69.07811	0.6
69.73828	3.1
70.06548	2.3
71.04984	4.6
71.87823	0.6
72.08144	0.8
74.02448	3.6
79.05459	3.4
84.04472	1.1
84.08095	1.7
85.02470	0.7
85.02899	8.6
86.09678	0.8
88.03980	9.4
88.93607	0.6
95.77492	0.7
97.02865	1.7
99.00800	1.4
106.05880	0.9
106.06543	9.4
107.04942	10.3
109.49468	0.6
116.03448	8.1
116.04944	0.8
118.06525	1.1
119.04955	0.7
120.08086	1.7
127.03889	0.7
129.10222	1.1
132.06796	7.7
132.07938	1.5
133.07600	26.4
134.04478	7.2
134.05994	1.5
134.29373	0.6
143.06021	2.8
144.02872	2.0
145.07617	1.6
150.86450	0.6
151.08601	2.8
157.07585	1.2
159.09132	3.5
161.07071	2.4
166.08540	0.7
171.05481	0.9
185.07118	5.3
189.06595	1.8
203.08156	3.3
213.06554	1.0
221.09169	1.1
222.07574	1.3
231.07635	4.0
249.08687	8.1
267.09732	82.1
268.10028	1.7
309.01273	0.8
323.20160	0.6
366.05264	0.7
379.19595	0.7
393.97095	0.6
429.15015	100.0
430.15350	2.8
434.14258	0.8
500.50632	0.7
536.82489	0.6
575.20691	3.7
575.29761	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.1389
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22935	1.0
51.50771	0.8
57.03416	1.4
68.99783	1.5
69.03423	6.7
70.06564	1.7
71.03820	2.6
81.03415	3.1
84.08121	3.3
85.02888	3.9
95.31616	1.1
97.02819	1.0
107.04927	1.8
109.02872	3.8
119.04932	1.2
121.02853	2.9
123.00856	1.0
127.03890	1.5
131.04953	1.7
135.04381	7.4
137.02322	29.4
137.03325	1.7
147.04388	1.5
149.02301	1.1
161.02309	3.1
163.03853	1.2
165.01834	2.7
177.01825	3.3
179.03423	1.7
187.03889	1.7
189.01848	1.8
193.01309	1.8
195.02872	7.7
203.03377	6.2
205.01289	3.4
207.02892	3.1
209.00919	5.4
211.02377	1.2
215.03349	1.2
217.01334	1.4
217.04916	3.4
219.02895	4.3
221.00780	1.5
221.04398	2.2
223.02307	5.4
227.03560	2.0
231.02841	2.2
233.04341	1.9
235.02393	3.1
241.67436	1.1
243.02878	1.8
245.00565	1.3
245.04498	2.0
247.02373	1.2
249.03903	1.3
255.02934	1.5
259.02469	1.2
259.05948	2.4
261.00269	2.4
261.03870	1.6
269.50259	1.0
271.02353	2.7
273.03790	2.5
275.01828	1.9
277.03366	1.4
279.01340	1.9
283.05875	2.7
284.06876	2.2
285.04254	1.6
289.03354	1.9
295.05978	2.9
298.04523	1.5
299.05484	13.0
300.06180	2.6
301.03616	1.5
301.07043	3.8
303.01740	1.1
303.04922	4.0
310.04816	2.9
310.46402	1.0
311.05453	61.4
311.08673	2.1
312.06100	2.8
313.03598	1.8
313.07019	4.0
315.04980	1.7
321.07401	1.1
323.05426	8.2
324.06235	4.9
325.03439	46.4
325.06992	8.3
326.03918	1.2
327.04932	19.8
329.06458	3.8
333.07880	1.1
335.05463	1.3
337.03342	2.7
337.06995	12.2
338.07877	1.8
339.04950	24.2
339.08530	2.2
341.06555	11.1
343.04401	7.0
349.07129	3.4
351.04926	8.8
351.08606	8.7
353.06522	11.5
355.04449	13.9
355.08133	2.6
357.06042	5.9
361.06909	1.5
363.04703	1.4
363.08841	1.3
365.06473	11.2
365.10193	1.5
367.04300	2.6
367.08313	5.9
369.05914	4.9
377.06400	7.9
377.10458	1.4
379.04059	1.6
379.08057	2.8
381.05878	5.8
381.10114	2.1
383.03851	2.2
389.06564	3.7
391.04257	2.4
393.05801	6.3
395.07678	7.5
397.04886	1.4
397.09305	3.4
405.05890	5.2
407.07913	5.1
413.08429	4.3
421.05118	1.5
423.06891	3.1
425.08636	100.0
426.08942	4.0
437.08575	20.3
451.10556	2.5
453.08090	1.3
455.09662	50.7
456.10001	1.5
465.12033	5.4
475.10229	1.9
479.09714	74.5
479.45880	1.1
480.09781	2.2
491.09784	6.1
493.11209	3.6
497.11035	2.1
503.09674	19.3
504.09525	1.3
509.03592	1.9
509.10733	30.1
521.10773	34.6
522.11450	1.4
539.11737	36.1
540.11981	2.4
557.12891	12.9
562.26599	1.3
575.13275	1.2
575.30286	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	574.3687
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	0.7
55.05505	1.6
57.03426	1.5
61.02923	5.4
67.04233	2.0
67.05502	1.3
68.05008	0.7
69.03419	3.6
69.07066	0.7
69.74015	3.4
70.06583	6.7
71.04977	0.8
72.08147	100.0
73.02901	4.6
73.08468	0.8
79.05484	1.5
80.05022	2.1
81.03418	1.1
81.07049	1.6
82.06572	31.4
82.55499	0.5
82.76124	0.4
84.04508	0.6
84.08132	42.4
85.02901	7.2
86.09714	2.1
86.60577	0.5
91.03936	3.8
91.05505	0.7
93.07042	1.3
94.06553	3.7
95.08613	1.2
96.08127	2.8
97.02869	4.1
97.08902	1.4
98.09688	1.4
99.04463	0.7
101.02372	0.7
103.03932	0.6
105.07005	1.1
107.04942	0.6
107.08601	0.5
108.08103	4.0
109.02861	1.6
109.10138	0.5
110.07162	1.0
110.09670	4.5
112.11230	9.7
114.09171	1.2
114.10287	0.8
118.19023	0.5
119.08614	0.5
120.08067	6.3
121.06580	0.5
122.09641	1.4
123.10491	0.7
124.07573	0.8
127.03899	1.4
127.12307	2.6
129.05521	0.4
129.10242	0.7
132.08141	0.6
134.09645	1.1
134.89888	0.5
135.04420	1.8
136.07584	0.7
137.02335	4.3
138.09128	0.5
165.01875	0.8
175.03915	0.8
189.01804	0.8
194.15479	0.5
195.02919	1.5
203.03355	2.4
206.15410	3.1
207.02939	1.2
208.17033	1.6
209.04626	0.6
217.05003	1.0
219.02910	1.1
221.04533	1.5
224.16434	10.1
226.18021	3.3
232.16887	3.9
233.04724	0.6
236.16492	0.8
241.05008	0.6
248.16512	0.6
249.19542	3.3
250.18021	1.9
257.04901	0.6
271.06119	0.7
274.18170	0.7
282.20633	3.6
295.06082	1.1
298.20105	25.8
299.05594	2.6
300.21722	1.4
309.07721	1.2
310.04758	1.1
310.20248	1.1
311.05478	11.4
311.08774	0.9
313.07065	1.4
321.07593	0.7
323.05429	7.8
323.08832	0.8
323.23233	1.2
324.06351	2.1
324.21600	1.0
325.07022	3.9
327.05066	1.0
329.06503	0.8
336.06128	0.9
337.07034	6.6
338.07843	1.2
339.05029	2.6
339.08701	1.2
340.21310	1.2
341.06564	5.4
341.24301	13.5
349.07059	2.4
351.04987	0.8
351.08621	4.7
353.06473	3.6
361.07184	0.7
363.08676	1.5
365.06430	4.2
367.08182	2.5
377.06396	2.5
379.08038	2.7
381.06113	2.3
381.10236	0.8
383.25430	1.8
389.06229	1.2
391.08240	1.8
393.05692	0.9
394.13083	0.6
395.07489	4.8
395.29007	9.4
401.06735	0.9
407.07629	6.0
409.09146	1.0
412.31686	4.7
413.08310	0.8
419.07846	1.6
425.08582	8.0
435.07364	1.7
437.08658	2.9
442.24445	0.8
443.09711	5.1
449.26694	0.8
453.08316	0.7
454.32819	0.8
455.09753	3.8
460.25339	7.5
461.08865	0.8
462.27255	1.5
467.27579	2.3
473.10678	1.5
479.09583	4.0
485.28632	1.7
491.09747	0.7
497.10727	8.0
503.09796	1.1
503.29565	12.6
505.31400	2.4
509.10593	2.6
521.10864	3.9
527.11658	2.6
539.11877	5.3
554.92712	0.6
556.18835	0.7
557.12891	5.6
557.20624	1.4
557.34290	37.1
558.34467	1.4
574.36975	85.0
575.13397	4.5
575.37054	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	574.2704
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.1
55.01865	1.6
55.05509	8.5
57.03424	8.0
59.04976	1.3
61.02919	3.1
62.10974	1.4
67.05509	1.5
69.03423	10.7
69.07063	4.3
70.06590	7.9
71.01324	2.1
71.04990	29.9
71.72257	2.6
72.08154	4.0
73.02898	3.6
75.04469	5.1
81.03406	5.5
81.03838	1.1
81.07052	1.8
83.04976	81.5
84.04486	1.2
84.08142	30.0
85.02898	100.0
86.09705	1.9
87.04449	2.9
91.03945	2.4
91.05476	1.4
93.07027	1.5
95.08598	1.9
96.57229	1.2
97.02890	17.4
97.06532	1.4
99.04449	5.1
101.91189	1.2
106.02976	1.1
109.02898	5.1
110.07170	1.7
111.03663	1.9
111.04439	33.8
111.08070	2.8
116.07047	2.2
120.08068	2.4
124.88985	1.4
127.03909	14.0
127.12317	9.1
129.05466	42.4
129.10246	1.8
136.07541	1.8
136.97034	1.5
137.02332	1.9
139.61981	1.4
145.04933	12.8
147.06496	19.2
153.09184	1.3
157.95445	1.3
161.05962	1.5
163.06058	3.3
165.07666	1.3
167.10664	1.3
179.10730	2.0
195.03033	1.1
215.12827	2.9
237.07536	9.8
255.08665	9.0
269.61945	1.3
273.09689	14.4
299.05539	1.3
308.13568	1.8
309.11682	9.0
311.05429	2.8
323.05380	2.6
337.07098	2.5
341.06427	1.8
349.06711	1.7
351.08670	1.8
359.23721	1.5
428.83426	1.3
557.21289	4.6
574.21844	1.7
575.22296	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	574.3696
Annotation	Unknow
Peak:m/z	Relative Intensity
53.65966	0.5
55.01849	1.2
55.05508	1.6
56.05038	0.7
57.03428	1.1
58.06597	1.0
61.02925	5.9
65.03951	0.7
67.04232	1.0
67.05490	1.7
68.05006	0.6
69.03423	4.1
69.07061	0.8
70.06583	7.2
71.04980	1.4
71.20216	1.6
72.08147	100.0
73.02914	4.3
73.85895	0.6
79.05493	1.6
80.05008	1.2
81.03414	1.9
81.07037	1.7
82.06570	31.4
84.04472	0.7
84.08132	44.1
84.11735	0.5
85.02903	6.4
86.09695	2.2
91.03944	3.5
91.05476	1.8
93.07043	1.7
94.06554	3.4
95.04961	1.5
95.08587	0.9
96.08130	2.8
97.02879	5.2
97.08909	1.4
98.09706	1.3
101.02397	0.8
105.07046	1.0
107.04948	0.8
108.08098	4.0
109.02898	1.3
110.07145	1.2
110.09662	4.8
112.11234	9.8
114.05558	1.8
114.09161	1.2
115.03852	0.8
119.08592	0.6
120.08082	6.5
121.02863	0.9
122.09622	0.8
124.07584	1.2
127.03925	1.7
127.12331	2.6
129.10274	0.8
130.06587	0.7
134.09630	1.0
135.04448	2.0
136.07565	1.6
136.11194	0.6
137.02315	6.2
148.07573	0.7
161.02362	1.5
161.05937	0.7
162.09045	0.7
171.43837	0.7
175.03967	0.7
176.73358	0.6
187.03848	1.0
189.01871	1.4
191.03325	1.1
195.02925	2.3
201.01773	0.7
202.10660	1.1
203.03407	3.4
205.05141	0.8
206.15341	3.7
207.02917	1.5
208.16911	1.2
213.05545	0.6
215.03435	1.3
217.01370	1.4
217.05037	1.6
219.02873	1.5
221.04449	1.5
224.16431	4.2
226.18100	2.7
227.03351	0.8
229.01367	1.1
230.15460	0.7
232.16939	4.8
235.02386	1.9
241.04991	0.7
243.02870	3.7
247.02466	1.2
249.19585	2.7
250.18002	0.6
255.02853	1.3
257.04477	1.8
267.54526	0.6
272.65201	0.7
276.19495	0.6
282.20657	3.7
283.05954	1.3
295.02863	0.7
295.06128	1.8
298.20102	29.2
299.05444	3.0
299.20398	0.7
300.21597	3.0
307.06027	0.7
309.07590	1.0
310.04700	1.7
310.20239	1.7
311.05460	13.6
312.06000	0.7
313.03464	0.8
313.07037	1.1
321.07565	1.5
323.05438	12.1
323.08868	1.0
324.06421	2.2
324.21783	1.1
325.06894	3.8
329.06860	1.2
335.05524	2.8
336.06339	0.7
337.07047	9.8
337.62180	0.6
338.04102	0.7
338.07761	1.4
339.05035	4.7
339.08557	1.2
340.21146	1.1
341.06512	7.2
341.24326	11.8
349.06894	3.1
350.08038	0.7
351.05032	14.7
351.08713	4.5
352.05853	1.4
353.06610	4.4
361.07089	1.6
363.04739	2.7
363.08737	2.4
365.06488	9.6
366.07321	1.2
367.08340	2.6
369.06030	0.9
370.22440	0.9
373.07605	0.8
376.05753	1.1
377.06476	11.0
379.08075	4.6
381.05957	12.4
383.25443	1.4
389.06641	2.0
391.08197	3.9
393.06149	2.5
394.06769	0.7
395.07639	6.7
395.28979	6.1
397.09421	0.8
401.06772	0.9
405.05817	7.6
407.07541	8.8
411.06888	0.9
412.31842	2.5
413.08798	1.3
417.06137	2.1
419.07642	2.4
423.07156	2.1
425.08609	12.1
429.06323	1.6
435.07285	2.6
437.08701	5.4
442.24454	0.7
443.09753	2.6
447.06900	6.9
451.10178	0.8
455.09705	11.5
460.25375	11.9
461.08762	1.1
462.26990	1.3
465.08154	0.9
466.11102	0.8
467.27518	1.4
473.10510	1.0
479.09778	8.6
483.09131	0.9
485.28867	1.6
486.27206	0.7
491.09793	2.7
493.11533	0.8
497.10730	7.8
503.09598	2.8
503.29584	14.3
505.31186	1.6
509.10797	5.5
521.11060	5.3
527.12164	1.7
539.11884	9.7
557.12988	9.1
557.20563	1.2
557.34241	39.9
558.34747	0.8
574.36975	92.5
575.14197	4.3
575.22638	1.1
575.37439	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	574.2242
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03961	1.1
56.05029	2.4
56.96572	1.0
57.03431	11.5
58.75082	1.1
60.04540	1.3
61.02908	3.6
68.05032	1.4
69.03410	6.9
69.97533	2.3
69.97949	5.0
70.06579	2.8
73.02911	23.6
79.05474	3.3
82.02939	1.1
84.04497	100.0
84.08145	1.6
85.02901	10.1
86.09667	1.2
87.04481	1.2
97.02873	6.8
98.97588	1.4
101.07124	15.5
102.05522	1.9
106.06567	11.5
107.04952	8.4
109.02852	1.5
111.05541	1.7
112.03958	4.4
115.03923	3.1
116.04979	16.3
129.06580	19.4
130.04990	33.2
133.07600	10.8
134.06000	29.7
142.03317	1.2
144.08130	2.1
147.04449	2.4
147.07672	5.9
151.08649	8.5
152.07077	8.7
156.08092	5.5
157.06026	5.8
171.09135	11.1
172.07510	2.2
185.07088	2.1
199.08679	13.2
200.07121	4.3
202.08646	1.9
217.09691	4.4
218.08139	3.9
227.08102	3.2
227.36438	1.4
244.10910	2.1
245.09233	20.4
246.07477	2.5
257.03470	1.2
263.10260	24.0
267.00040	1.4
280.12897	75.8
281.13458	1.3
303.03198	1.1
303.92963	1.4
319.65283	1.6
336.54651	1.5
425.15497	3.6
442.18192	92.1
471.16223	1.4
531.91956	1.2
574.22375	98.4
575.22180	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	574.1553
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	3.7
55.44999	2.5
56.05029	3.1
58.24677	2.1
60.63317	2.4
65.45092	2.4
70.06572	11.1
72.08138	3.5
78.40684	3.1
84.04504	2.6
84.08125	6.2
84.61802	2.9
85.95407	3.3
86.09669	8.8
91.05429	3.6
98.21444	7.0
104.60684	2.6
107.31062	2.5
119.04912	7.8
121.02855	36.4
122.39520	2.5
129.10234	3.3
131.04893	3.3
145.02824	5.9
163.04031	3.6
168.24103	2.4
177.01805	3.6
189.01874	4.1
195.02875	6.0
201.01744	2.6
203.03368	8.6
207.02902	9.9
215.03461	3.7
217.05009	3.7
218.52370	2.7
268.07440	2.8
279.06467	5.3
281.08011	6.0
283.05896	12.9
284.06619	6.1
293.08002	6.4
294.05173	23.4
295.05975	42.5
296.06473	8.2
297.07529	7.8
307.06012	47.1
308.06665	17.2
309.07635	16.5
313.06940	5.5
317.07962	2.8
319.05917	11.0
320.06717	7.2
321.07562	34.7
322.08289	3.9
323.05441	3.6
323.09058	5.5
325.06998	27.9
329.08139	2.7
331.06216	3.5
333.07407	19.1
334.08231	3.9
335.05566	3.2
335.09204	8.5
336.06061	6.0
337.07068	27.0
338.07465	4.0
345.07538	7.6
347.09076	5.7
349.07031	21.4
351.08710	7.0
353.06369	3.2
356.72736	2.7
357.07492	3.3
360.08517	2.9
361.06897	18.3
363.04697	3.8
363.08609	11.3
367.08072	14.1
373.06992	9.5
374.06354	6.0
375.08389	6.6
377.06409	5.5
379.08105	17.2
381.09543	3.5
389.06342	3.5
391.08066	22.2
400.08069	10.4
401.06027	5.5
402.09412	5.6
403.07999	7.4
404.07654	6.7
409.09030	10.5
412.08124	13.9
413.06503	6.4
418.09164	18.9
421.09216	4.8
427.09836	3.6
429.09579	3.8
430.09280	21.4
431.07535	6.2
436.10303	16.3
439.10165	5.5
448.10239	23.5
454.11328	14.2
456.10992	4.2
458.08560	4.6
466.11380	62.8
467.11859	3.1
472.10178	12.1
476.09698	7.1
484.12033	25.0
490.11264	9.1
493.11115	5.1
502.11459	23.6
508.12402	50.9
511.12625	6.3
520.12402	85.5
538.13397	100.0
556.14288	32.3
574.15411	10.4
574.39490	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	574.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	4.7
65.03925	1.0
67.05497	1.3
69.03403	1.1
70.06563	2.2
71.08704	1.5
78.91147	0.8
81.07039	1.9
85.02874	0.7
87.04490	0.8
91.05456	1.3
93.03401	0.9
95.04935	1.0
95.08582	2.1
97.02882	1.7
107.04958	1.2
116.07087	1.7
119.04942	7.1
121.02847	30.2
121.06436	0.7
127.84189	0.8
133.06488	0.8
135.04376	1.0
141.01822	0.9
145.02800	4.3
147.04410	0.8
149.02313	6.7
155.14355	1.1
159.04369	1.5
161.06023	1.2
163.03908	1.5
165.01772	1.5
171.04396	0.8
175.03902	1.5
177.01854	0.8
179.03459	1.6
187.03879	2.1
189.01811	5.5
191.03384	4.5
193.04977	1.2
195.02820	5.1
199.03917	2.1
201.01884	1.4
201.05449	1.0
202.02550	1.2
203.03377	8.8
203.07051	1.6
205.01118	0.8
205.04924	2.7
207.02931	5.1
209.04492	1.2
213.01746	0.9
215.03355	5.1
217.01288	1.3
217.04938	5.3
219.02910	2.9
219.06517	1.3
219.58707	0.8
221.04483	3.9
227.03362	1.5
229.04924	2.3
231.02873	1.6
233.04413	3.3
243.02972	2.4
245.04477	3.1
254.05849	1.1
255.02983	1.3
255.06439	1.2
256.06183	1.2
257.04410	2.0
261.03870	1.5
267.06519	3.4
268.07300	2.9
270.05197	1.3
273.03937	0.8
277.08572	0.8
279.06625	5.3
280.07053	1.8
281.08109	2.6
282.05038	1.4
283.05957	12.0
284.06784	3.7
291.06577	1.3
291.12173	4.2
292.07321	3.6
293.08029	5.0
294.05206	10.7
294.08511	1.5
295.05984	43.9
296.06793	4.7
297.04651	1.0
297.07504	5.2
305.08105	2.8
306.08881	1.7
307.05984	41.5
307.09262	2.0
308.06723	17.8
309.03970	2.0
309.07516	26.0
310.04401	1.0
310.08090	1.8
311.05536	3.4
312.05392	0.8
313.07175	2.9
317.08084	2.3
319.06003	9.3
320.06799	7.9
321.07538	42.6
322.04562	1.9
322.08313	6.5
323.05438	4.3
323.09210	6.1
325.06998	18.1
329.08032	3.3
331.06003	2.2
331.09711	1.2
333.07529	20.3
334.08289	5.4
335.05411	4.4
335.09061	22.1
336.05905	5.3
337.07007	25.2
337.10269	0.9
338.07526	1.9
339.05051	1.3
339.08472	4.2
343.08432	1.1
345.07526	13.7
346.07428	3.0
347.05469	2.6
347.09128	8.3
348.06009	1.5
349.07025	26.4
350.07748	2.9
351.08566	10.2
353.06531	3.1
355.08145	4.3
356.09064	3.7
357.07654	1.1
361.06998	23.1
362.07648	2.6
363.04108	1.2
363.08612	20.6
365.06256	1.2
365.10233	1.9
366.07117	1.5
367.08102	19.8
372.08890	1.1
373.07031	14.7
374.06598	4.7
375.08615	12.5
377.06567	1.7
379.08109	14.9
381.09708	5.0
385.08945	1.6
389.06430	1.2
390.09879	6.0
391.08075	25.4
392.07800	1.1
393.09741	5.3
400.08124	8.3
400.92050	0.8
401.06528	2.8
403.08115	6.7
404.07559	1.7
407.07388	1.3
409.09125	31.1
412.08182	2.1
413.08224	1.2
414.09705	1.5
418.09161	23.7
418.14725	1.5
419.07440	2.0
421.09088	9.9
427.10437	1.5
429.08389	1.8
430.08884	4.8
431.07861	1.3
432.10739	1.3
436.10229	23.8
438.09814	1.7
439.10300	16.4
440.07642	1.0
442.11102	1.4
444.10895	2.6
447.11044	1.4
448.10107	2.2
454.11267	24.7
456.10760	2.8
457.11044	1.2
458.08478	1.6
463.10388	1.1
466.11423	11.0
472.10211	4.8
475.10406	2.0
476.09717	1.5
484.11966	13.4
485.08740	1.5
490.11093	9.2
493.11157	5.7
502.11282	10.7
508.12335	82.7
509.12878	1.8
511.12128	0.9
520.12317	42.8
521.12463	1.3
538.13373	100.0
539.13647	2.5
556.14490	16.6
574.15436	3.9
574.28357	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.4507
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	10.8
55.01871	20.7
55.05322	3.7
55.05510	36.7
57.07080	18.6
60.38949	3.9
61.37897	3.7
62.11398	3.3
67.05497	67.5
69.07053	25.6
71.08617	12.7
71.74322	3.7
71.75838	3.5
71.76195	6.3
74.99499	3.7
79.05483	82.9
81.03374	5.4
81.07048	100.0
83.04947	11.3
83.08601	20.8
85.06526	6.8
85.10161	12.4
91.05479	49.4
93.07035	94.0
95.04961	14.0
95.08585	63.7
97.06525	10.5
97.10162	6.5
99.08085	7.4
105.07033	36.3
107.04986	4.5
107.08590	59.4
109.06499	6.2
109.10133	25.0
111.08062	44.8
113.09634	17.4
117.07005	15.8
119.08548	24.1
121.10112	41.2
123.08057	5.3
123.11680	13.1
129.06996	8.3
131.08545	32.7
133.10120	29.0
135.11676	30.6
137.09583	6.1
139.11153	4.9
143.08510	5.0
145.10159	19.0
147.11676	29.5
149.09604	8.2
149.13243	27.4
151.11165	8.1
151.14813	6.3
157.10094	8.0
159.11694	14.6
161.13277	20.9
163.14828	12.0
165.12723	26.0
170.34190	3.7
173.13261	11.5
175.11122	6.5
175.14742	7.7
177.16331	9.5
179.14217	4.7
187.14771	7.7
191.14351	4.9
197.01793	4.2
231.21045	6.8
233.22662	10.2
241.19498	6.2
243.21075	42.7
249.22185	7.6
259.20551	11.9
261.22110	90.2
277.21609	82.8
279.23169	6.6
295.22528	24.9
332.54944	4.1
382.71909	4.4
425.33984	4.7
447.34833	6.5
454.35886	4.3
488.32986	4.6
537.42834	14.8
555.43646	15.6
573.44183	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	574.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91843	1.3
55.01862	4.1
69.51749	8.3
70.06563	2.2
85.98392	1.0
91.05473	1.7
94.02944	1.2
95.06673	1.0
103.05449	1.5
107.04966	1.4
119.04920	7.6
120.19991	1.0
121.02854	31.0
121.03738	2.0
123.48083	1.2
129.10248	1.1
131.04907	1.4
137.05942	2.4
137.80272	1.1
145.02820	3.4
163.03906	1.5
163.07457	1.5
171.04430	1.2
179.03439	2.7
187.03949	1.3
189.01843	5.8
190.02505	1.4
191.03407	3.9
195.02901	4.0
199.03978	1.0
203.03403	8.9
204.04314	1.9
205.04884	1.3
207.02856	3.5
215.03415	5.4
217.01385	1.2
217.04942	4.1
219.02888	3.3
221.04416	4.7
224.80948	1.0
225.62373	1.0
226.04736	1.2
227.03531	1.5
229.04868	1.8
231.02835	1.1
233.04417	2.7
235.05920	1.4
243.02837	2.7
245.04338	1.6
247.02539	1.3
255.02859	1.5
267.06378	1.6
268.07260	3.2
279.06573	6.3
280.07291	1.3
281.07993	3.0
283.05948	10.4
284.06738	4.1
291.06546	1.7
292.07153	3.7
293.08060	4.5
294.05313	8.6
295.05994	37.4
296.06772	3.4
297.07510	5.9
305.08066	1.7
306.08942	1.4
307.05988	38.3
307.09073	1.5
308.06732	18.6
309.07501	17.7
311.05548	2.0
313.06909	1.8
317.08072	2.6
319.06018	6.2
320.06769	9.0
321.07501	36.2
322.04721	2.4
322.08322	6.5
323.05417	6.0
323.09140	4.4
325.07034	15.7
329.07892	2.4
331.05899	1.8
333.07486	19.1
334.08371	4.3
335.05374	6.4
335.09128	15.3
336.06213	4.3
337.07007	24.1
339.08545	3.2
344.06506	1.3
345.07565	11.8
346.07294	3.7
347.05380	2.3
347.09158	4.5
348.06131	2.5
349.06985	24.4
350.07642	2.1
351.08603	13.8
355.07938	2.0
356.09219	2.6
361.07031	21.0
362.07700	1.1
363.08621	15.7
365.06281	2.0
365.10416	1.9
366.07318	1.7
367.08093	13.8
373.07034	11.9
374.06696	5.7
375.08633	8.4
377.06369	4.4
377.10672	1.6
379.08157	18.0
381.09583	2.9
389.06528	1.6
390.09677	3.3
391.03525	0.8
391.08078	20.2
393.09509	3.6
400.07968	7.2
401.06284	5.5
402.09579	1.4
403.08249	2.0
407.07471	2.2
409.09131	22.1
410.09698	1.8
412.08200	1.8
418.09174	18.6
419.07681	2.1
421.09000	4.6
430.09201	6.0
431.07828	2.7
435.10687	1.6
436.10342	22.6
439.10120	4.0
442.10657	2.1
444.10733	3.7
448.10178	3.6
454.11307	25.7
456.10648	3.6
463.09982	2.2
466.11325	17.1
472.10120	6.2
484.12125	18.5
490.11368	14.0
493.11325	3.9
502.11267	9.1
508.12357	100.0
509.12582	2.5
520.12335	46.5
538.13385	95.8
539.13477	1.8
556.14514	17.1
574.15118	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	573.3029
Annotation	1-palmitoyl-sn--glycero-3-phospho-D-myo-inositol
Peak:m/z	Relative Intensity
55.05502	3.4
57.03426	5.1
57.07068	23.3
63.35073	0.6
67.05489	5.5
69.07073	3.8
69.07362	0.7
71.08255	0.9
71.08622	16.2
79.05450	0.8
81.03400	3.7
81.07047	7.5
83.08612	5.6
85.02873	1.1
85.10173	10.0
93.07031	0.9
95.08591	11.1
97.10147	2.5
98.98452	29.4
103.07542	0.8
109.02882	4.1
109.10133	4.3
123.11681	2.3
127.03876	1.1
137.13208	0.7
155.01006	24.7
155.02284	1.2
173.02052	1.4
239.23589	3.2
257.24725	0.7
261.03641	2.4
313.27310	100.0
314.27631	2.3
317.06345	2.4
335.07260	2.6
365.80945	0.7
393.23959	4.1
401.28912	2.9
406.43417	0.7
537.28015	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.0969
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96299	3.7
56.96558	41.0
59.65448	1.9
70.85364	2.3
71.19170	2.5
71.19489	3.3
72.97102	2.1
74.97579	1.8
84.96024	28.9
98.97564	100.0
99.55759	1.8
102.97047	2.8
110.97553	24.2
115.00710	2.6
116.98605	50.4
116.99392	3.7
119.01923	2.3
124.99077	13.2
128.98592	36.0
132.96782	2.0
134.99654	17.6
140.98616	11.7
143.00140	51.5
144.98050	2.7
145.03453	4.9
146.99637	19.5
152.98586	3.7
158.99644	39.7
161.01204	59.7
162.99100	6.3
165.00760	2.6
170.99625	34.1
173.01225	2.3
177.00703	32.2
179.02240	9.0
182.99600	16.0
185.01199	8.1
186.99098	13.5
187.04575	3.9
189.00668	33.8
189.02254	3.0
195.01768	2.7
199.04581	2.7
201.00668	64.7
203.02261	11.3
205.00157	34.2
207.01753	3.7
213.00626	3.5
219.01744	57.6
223.01213	18.0
227.02284	4.8
229.00180	4.1
230.98204	3.1
231.01715	5.6
237.02780	23.6
243.01683	18.6
245.03279	3.1
247.01251	8.2
248.99184	14.6
261.02802	76.1
267.00266	16.4
272.99139	4.4
273.02850	5.8
279.03848	42.5
287.04364	5.9
289.02051	2.4
291.00208	25.3
291.03827	12.6
302.05423	4.5
305.05713	2.3
307.03262	6.2
309.01324	12.3
321.01193	8.1
321.04797	40.8
331.03275	3.5
333.01273	2.9
333.04904	7.7
349.04428	5.1
351.02179	4.7
351.05984	12.4
357.01218	3.3
375.02332	15.9
381.07153	10.5
393.03366	33.4
395.07062	2.9
399.08060	14.2
411.04364	25.6
469.08463	13.8
493.09119	3.4
511.09586	3.4
537.07294	13.8
555.08624	41.0
573.09717	48.7
573.18427	2.1
602.10284	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	573.097
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96300	2.9
56.96559	36.1
65.15000	1.4
68.53648	1.6
70.06586	4.8
70.23177	1.3
71.25362	2.2
71.25716	3.6
71.95277	1.7
72.08134	2.8
84.08109	2.6
84.96028	25.2
85.02875	1.6
98.97572	100.0
100.39920	1.5
100.99156	2.6
101.00846	1.5
102.97053	3.2
110.96840	2.7
110.97556	24.2
116.07055	2.8
116.98612	53.1
119.01915	3.1
121.82584	1.5
124.99073	12.3
127.02335	1.7
128.98596	30.0
131.00143	2.9
131.01875	3.4
134.99629	13.8
138.39639	1.5
140.00177	2.0
140.98547	14.3
143.00160	50.9
144.23778	1.5
144.98053	5.9
145.01654	3.1
145.03467	5.2
146.99614	19.8
152.98578	4.9
155.01854	2.2
158.98376	2.4
158.99641	40.7
161.01215	58.1
161.02698	2.8
162.99113	6.0
165.00742	2.4
168.98215	2.0
169.03432	4.4
170.99646	40.3
171.04927	1.9
173.01276	1.7
173.02975	2.1
174.97704	1.8
177.00681	29.7
177.02087	2.7
179.02251	7.0
182.99644	15.1
184.02766	2.2
185.01251	8.6
185.02763	1.9
186.99149	16.6
187.04448	9.4
189.00719	37.5
189.02324	2.1
191.02217	1.4
195.01781	2.1
199.04549	3.7
200.02464	2.0
201.00693	73.0
202.01161	1.9
203.02222	11.4
205.00189	33.4
207.01820	3.7
212.02264	1.9
213.00656	4.5
219.01758	62.8
223.01247	16.8
227.02243	4.2
229.00223	5.3
230.98062	2.4
231.01768	5.8
231.03712	2.9
235.62123	1.6
237.00592	2.8
237.02791	29.9
237.05013	2.7
241.01985	2.3
242.03360	4.1
243.01730	16.7
245.03326	2.2
247.01245	7.2
248.99174	12.4
255.03925	2.1
261.02802	75.4
267.00217	18.5
272.99200	4.6
273.02863	4.5
275.02350	8.8
279.03845	38.6
287.04794	8.3
289.02277	2.7
291.00204	27.0
291.03812	14.7
293.03488	2.4
302.05234	2.5
303.00348	4.0
305.03091	2.8
307.03381	4.6
309.01279	13.4
309.04987	4.1
321.01187	8.9
321.04892	34.5
325.04514	2.2
331.03424	5.4
333.04941	4.8
339.02457	1.7
340.08279	1.6
349.04361	2.0
351.02124	5.6
351.06021	10.7
357.01300	3.2
359.04556	1.9
368.31149	1.7
375.02271	15.7
377.05701	3.3
381.02802	1.7
381.07245	10.9
393.03366	33.3
395.06799	8.9
399.08185	12.7
411.04443	24.0
422.09900	2.1
469.08676	11.9
493.08701	2.8
511.09735	2.6
537.07483	13.2
555.00391	2.7
555.08636	40.4
573.01270	2.3
573.09741	45.0
582.30322	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	572.4365
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	2.9
57.03426	1.5
57.07071	55.5
59.04715	1.3
59.04998	20.5
61.97419	0.8
67.05508	3.6
69.07064	5.5
69.87167	4.6
71.08627	99.2
73.06545	2.7
79.05492	1.3
81.07043	4.2
83.08601	2.6
84.04506	0.8
84.34317	0.7
85.10176	57.3
87.04457	9.8
89.06024	100.0
91.05441	1.0
91.07593	1.3
93.07056	1.3
95.08588	2.7
97.10170	1.7
98.20773	1.2
98.98479	5.0
103.07575	5.4
107.07063	3.5
107.08576	1.8
109.02922	0.9
109.10140	1.7
111.11745	1.3
111.32782	0.7
117.09130	2.9
119.08598	0.8
121.10100	0.9
127.14832	7.3
130.08667	3.8
131.07059	4.4
133.08597	75.0
155.00999	4.6
170.01575	0.7
175.09657	3.9
177.11211	30.2
185.18970	9.3
195.12378	0.9
219.12169	0.8
221.13754	4.5
229.21567	3.6
237.21922	1.2
239.14964	0.9
239.23822	0.8
260.71902	0.9
283.17480	4.8
311.25812	1.2
313.27362	19.6
327.20135	3.2
353.21451	1.4
371.22714	17.3
415.25409	0.9
429.27432	1.0
464.49744	0.9
555.40863	2.4
572.43719	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	572.2486
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	3.7
70.06479	27.0
70.13114	3.9
79.05478	9.5
84.08131	8.5
86.09710	8.2
91.05475	31.9
103.05487	23.2
105.03397	9.0
105.07011	16.8
107.04914	4.3
109.06530	5.1
119.04939	33.4
121.06483	5.5
122.03696	4.0
131.04918	62.1
133.06465	18.8
137.05974	100.0
144.05676	4.9
147.04399	14.1
147.08003	3.9
149.05960	6.6
151.03906	6.4
151.07533	13.6
159.08064	10.7
161.05966	62.0
162.06703	22.3
163.07564	26.8
166.09081	3.2
172.05188	7.8
175.07538	31.4
178.07959	4.3
179.07036	6.0
187.07524	57.5
189.07005	4.1
191.07027	3.9
191.08665	4.2
194.07361	4.6
199.07530	9.9
203.08560	5.6
205.06705	5.7
205.08565	38.4
217.08638	12.5
218.07147	5.2
219.08058	9.9
221.06061	3.5
223.07571	4.1
231.07974	5.0
235.07452	6.2
235.09563	9.4
236.08319	5.5
237.09042	6.2
239.10667	4.1
247.07552	9.5
248.08371	5.7
249.08925	7.3
251.10591	4.7
261.09091	4.2
265.08649	15.8
267.10257	7.3
277.08478	6.9
278.08939	4.2
279.10184	8.9
283.09616	6.2
285.11218	10.0
291.09921	4.3
295.09427	7.9
295.79105	4.2
297.11191	22.4
298.12036	8.5
303.10245	4.4
307.09637	7.8
309.11383	17.5
310.11935	15.0
311.12582	5.0
315.12527	5.1
318.14319	4.0
321.11243	7.6
322.11969	9.8
323.12689	5.7
325.10660	17.5
327.12265	48.5
328.12994	4.6
340.13031	25.6
353.13748	3.7
357.13660	6.0
358.14252	11.7
392.31189	4.1
459.18097	7.6
471.17810	7.2
484.33948	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	572.2486
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	3.7
70.06479	27.0
70.13114	3.9
79.05478	9.5
84.08131	8.5
86.09710	8.2
91.05475	31.9
103.05487	23.2
105.03397	9.0
105.07011	16.8
107.04914	4.3
109.06530	5.1
119.04939	33.4
121.06483	5.5
122.03696	4.0
131.04918	62.1
133.06465	18.8
137.05974	100.0
144.05676	4.9
147.04399	14.1
147.08003	3.9
149.05960	6.6
151.03906	6.4
151.07533	13.6
159.08064	10.7
161.05966	62.0
162.06703	22.3
163.07564	26.8
166.09081	3.2
172.05188	7.8
175.07538	31.4
178.07959	4.3
179.07036	6.0
187.07524	57.5
189.07005	4.1
191.07027	3.9
191.08665	4.2
194.07361	4.6
199.07530	9.9
203.08560	5.6
205.06705	5.7
205.08565	38.4
217.08638	12.5
218.07147	5.2
219.08058	9.9
221.06061	3.5
223.07571	4.1
231.07974	5.0
235.07452	6.2
235.09563	9.4
236.08319	5.5
237.09042	6.2
239.10667	4.1
247.07552	9.5
248.08371	5.7
249.08925	7.3
251.10591	4.7
261.09091	4.2
265.08649	15.8
267.10257	7.3
277.08478	6.9
278.08939	4.2
279.10184	8.9
283.09616	6.2
285.11218	10.0
291.09921	4.3
295.09427	7.9
295.79105	4.2
297.11191	22.4
298.12036	8.5
303.10245	4.4
307.09637	7.8
309.11383	17.5
310.11935	15.0
311.12582	5.0
315.12527	5.1
318.14319	4.0
321.11243	7.6
322.11969	9.8
323.12689	5.7
325.10660	17.5
327.12265	48.5
328.12994	4.6
340.13031	25.6
353.13748	3.7
357.13660	6.0
358.14252	11.7
392.31189	4.1
459.18097	7.6
471.17810	7.2
484.33948	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	571.4353
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	7.2
53.94249	6.6
55.01854	12.9
55.05506	67.2
57.03447	6.9
57.07042	8.4
59.04984	7.6
64.81052	5.9
67.05505	80.6
69.07058	48.2
70.54102	27.1
71.04986	7.2
79.05473	62.1
81.03417	11.3
81.07051	81.9
83.04989	7.6
83.08616	35.3
85.06509	7.1
86.77378	7.2
87.04486	6.5
88.08659	6.9
91.05482	64.5
93.07038	68.3
95.04942	13.0
95.08601	67.7
97.06505	18.2
97.10139	39.1
98.98454	23.7
105.07039	57.2
107.08585	54.2
109.02840	8.2
109.10151	33.0
111.08054	7.4
117.07015	46.5
119.08533	49.4
121.10132	31.7
123.11686	12.7
125.09602	24.0
127.07434	6.9
129.06998	27.9
131.08559	61.5
133.10129	48.9
135.08069	6.7
135.11702	17.8
143.08554	19.2
145.10109	59.2
147.08006	7.5
147.11673	26.5
155.01053	34.0
155.08525	14.2
157.10159	20.1
159.11691	44.0
161.13229	13.0
167.08665	6.6
169.10089	14.5
171.11668	28.3
173.13258	29.1
178.07866	6.7
183.11601	13.2
185.13298	20.7
187.14857	17.6
189.11215	18.1
197.13298	9.1
199.14836	8.9
201.16364	10.3
207.11743	6.3
214.50882	6.1
215.17870	13.2
275.20178	13.3
277.21643	10.6
315.23288	11.1
329.24628	6.7
367.29788	15.7
385.30966	100.0
440.59262	7.1
459.34689	14.2
535.41351	28.3
553.42438	72.3
571.43481	67.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.4355
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49553	3.9
53.03949	6.6
55.01861	13.4
55.05511	66.9
57.03426	5.3
57.07056	10.6
57.91444	4.5
67.05143	5.4
67.05498	89.0
69.03401	6.8
69.07057	61.6
70.05259	25.4
71.04977	7.4
77.70696	4.2
79.05492	53.9
81.03412	6.7
81.07050	95.8
83.04959	7.0
83.08616	36.0
85.06510	5.0
91.05481	54.8
93.07030	62.0
95.04974	8.6
95.08599	71.7
97.06503	17.1
97.10166	48.3
98.98460	12.8
105.07019	67.8
107.04918	4.9
107.08589	43.9
109.06511	8.8
109.10157	35.8
111.08059	4.7
114.38625	4.7
115.05431	4.8
117.07021	49.9
119.08557	50.0
121.10143	30.9
123.11686	13.0
125.09640	31.1
128.06253	5.7
129.06984	22.7
131.08554	58.8
133.10126	43.8
135.07945	5.3
135.11656	18.1
141.06918	5.1
141.65341	4.0
143.08553	30.3
145.10121	64.4
147.11656	26.8
149.13255	6.6
155.01047	12.2
155.08508	13.8
157.10091	20.8
159.11678	64.2
161.13242	16.6
169.10124	12.4
171.11688	31.3
173.13245	32.6
175.14839	11.8
181.10199	5.5
183.11685	15.8
185.13206	20.4
187.14796	17.2
189.11218	19.2
189.16463	5.9
195.11754	4.7
197.13271	14.7
199.14780	11.3
201.16385	10.7
211.14832	8.0
213.16405	11.1
215.17964	10.6
225.16432	5.9
229.19511	5.6
243.17334	4.9
259.20450	5.3
277.21640	12.3
289.21613	5.2
303.22980	5.4
315.23193	7.4
317.24701	5.5
341.24783	5.0
367.30057	10.8
373.31192	5.7
383.33408	5.1
385.30975	100.0
399.32477	6.5
432.13461	5.0
459.34787	12.0
485.97452	4.2
517.40253	11.8
535.41278	19.1
553.42596	83.1
571.43494	67.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.435
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24783	7.0
53.03918	11.2
55.05508	57.1
57.07058	36.0
57.34969	7.4
67.05499	77.3
68.75134	10.1
69.07040	39.6
71.01475	18.5
79.05493	45.1
79.67745	7.9
81.07050	84.2
83.04988	12.8
83.08604	35.8
85.10174	59.8
89.06018	13.8
91.05467	71.3
93.07028	64.7
94.13942	8.5
95.04947	24.8
95.08582	82.5
97.06529	12.9
97.10133	19.5
99.28749	7.9
105.07014	66.2
107.04928	27.1
107.08567	40.0
109.10138	24.5
113.09651	56.0
113.99557	8.0
117.07001	21.3
119.08570	59.8
119.38475	7.8
121.06487	8.5
121.10124	37.1
123.08091	13.4
123.11691	9.4
125.34962	7.4
129.06990	12.6
131.08560	39.0
133.10092	48.4
135.08076	8.7
135.11658	16.3
143.08524	12.9
145.10115	43.7
147.11671	65.5
149.09616	31.7
149.13187	19.4
157.10056	16.5
159.11676	36.1
161.13200	27.1
163.11104	21.4
165.12735	72.4
171.11629	21.5
173.13216	12.8
175.14799	14.3
178.15120	9.0
185.13211	14.3
190.74200	8.5
197.13231	12.8
206.65208	8.3
241.19402	9.7
259.20581	12.9
261.22028	9.5
275.19986	100.0
277.21564	82.5
295.22672	55.2
414.46185	8.6
458.07748	9.5
553.42181	22.2
571.43317	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	571.4357
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	15.6
67.05484	60.9
69.07050	23.8
70.69687	17.5
71.75945	21.4
79.05478	52.6
81.07052	100.0
81.98212	18.6
87.62392	21.8
89.05973	21.2
91.05464	62.5
93.07037	41.4
95.08610	61.3
105.07043	36.4
107.08584	35.1
119.08546	49.8
120.07137	16.7
121.10141	18.2
131.08546	31.8
133.10103	52.8
144.87273	17.8
145.10164	35.6
147.11638	52.3
149.13283	22.5
159.11615	27.1
161.13222	24.6
165.12828	22.0
174.13174	20.0
175.14711	16.6
215.69643	17.6
259.20480	68.9
261.22089	42.9
275.20126	22.6
277.21674	24.1
338.40768	20.6
352.82330	20.5
354.86835	18.3
379.86288	18.0
414.68912	22.1
473.16187	19.8
553.42896	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	571.4352
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26508	2.0
53.03941	4.5
55.01874	5.0
55.05509	19.4
57.03440	2.4
57.07061	4.8
63.26424	1.6
65.03929	2.5
67.05148	2.6
67.05502	50.3
69.07069	19.1
71.04981	3.0
71.05942	4.0
77.56786	2.0
79.05490	51.5
81.03436	3.4
81.07050	100.0
83.04979	5.7
83.08609	12.9
85.06537	2.4
91.05476	31.8
93.07040	48.3
93.59086	2.3
95.04963	12.2
95.08604	32.0
97.06541	4.1
97.10156	4.8
99.08091	2.4
105.07016	37.4
107.04939	6.5
107.08591	33.5
109.06514	24.8
109.10152	17.1
111.08049	4.7
117.07021	7.5
119.08584	25.1
121.06514	2.8
121.10138	24.2
123.08077	4.4
123.11691	10.3
129.07010	6.5
131.08580	21.7
133.10104	21.5
135.08066	4.0
135.11720	12.9
137.09578	4.0
137.13197	2.6
145.10100	14.3
147.11670	22.4
149.09627	5.9
149.13245	13.0
151.11215	2.3
157.10156	4.6
159.11720	12.5
161.13263	6.1
163.11179	6.0
163.14830	8.8
165.12761	5.0
169.10172	3.1
171.11731	4.2
173.09718	2.8
173.13258	9.4
175.11140	3.9
175.14809	3.2
177.16194	2.1
178.20857	2.3
183.11710	4.3
185.13283	3.4
187.14757	4.4
193.12370	2.7
195.11501	2.0
199.14807	3.4
216.35609	2.3
229.19514	3.3
238.52524	2.2
239.17998	3.0
243.21086	8.4
247.20621	4.4
257.19073	5.4
259.20456	2.3
261.22128	41.9
275.20023	49.2
277.21442	4.6
279.23209	3.4
293.21045	19.6
301.65228	2.0
309.44687	2.0
343.95813	2.0
509.95999	2.8
517.40161	3.4
535.41547	9.3
553.42639	12.6
562.25043	2.3
571.43713	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	570.5087
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04552	1.0
53.03942	1.2
53.21764	0.9
54.86361	1.0
55.01876	1.1
55.05505	15.8
55.61413	1.0
56.05030	5.9
57.07068	7.9
58.06584	1.1
58.29372	1.1
58.92105	1.0
60.04519	100.0
65.03925	1.4
67.05495	21.9
69.07062	17.7
70.06565	3.3
71.08615	3.8
72.04501	5.2
74.06071	3.6
79.05483	12.4
80.05012	2.3
81.03396	4.2
81.07050	20.3
82.06578	3.0
83.04958	1.9
83.08607	12.3
84.08128	1.8
86.06049	3.0
89.06039	4.2
90.05556	5.0
91.05470	12.8
93.07026	11.4
94.06551	7.3
95.04956	4.1
95.07338	3.1
95.08598	20.2
96.08129	2.2
97.06500	2.3
97.10165	7.5
98.06052	1.4
105.07022	9.3
107.08591	5.7
108.08107	2.0
109.10168	7.3
111.08108	1.9
111.11694	2.8
119.08563	8.7
121.10134	6.1
122.09622	2.4
123.08051	1.3
123.11647	2.4
133.08611	2.7
133.10114	5.4
135.11684	3.3
136.11150	1.5
137.09601	1.8
137.13222	1.1
147.11658	2.6
161.13162	1.5
170.35037	1.0
233.22746	1.5
245.22601	5.8
250.25316	3.2
252.26680	1.8
260.23688	1.1
262.25287	39.1
263.23615	8.3
266.24783	1.5
268.40192	1.1
272.25821	11.4
280.26337	34.2
280.29477	1.6
298.27383	16.6
314.26840	2.8
316.28473	3.8
330.44998	1.2
344.28015	1.9
371.22556	1.6
501.92834	1.2
516.47717	4.6
534.48828	15.7
549.64319	1.3
552.49835	87.0
553.50024	2.1
570.51050	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	571.1359
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96539	1.5
69.61366	1.6
71.71235	3.2
75.78597	1.6
85.02889	2.2
97.13976	1.8
98.97586	1.8
101.00873	5.1
119.01910	29.9
125.45093	1.6
131.01904	7.5
133.03464	5.1
137.02946	3.8
137.86334	1.6
143.01904	20.4
145.03485	13.3
147.01414	2.3
147.04362	3.9
155.01851	12.5
157.03482	7.0
161.02945	33.7
167.01935	6.4
168.90417	2.0
168.99796	2.5
169.03490	5.2
171.01358	2.4
173.02971	26.9
175.04514	4.5
179.01892	2.3
184.04549	2.3
185.02950	44.8
187.00851	3.1
187.04503	4.7
191.03995	3.8
196.04727	1.8
197.02931	19.0
199.00935	2.1
201.02422	2.3
203.03998	10.9
215.00386	4.8
215.04008	11.9
217.01886	4.4
221.05060	2.9
227.04031	8.8
229.03737	2.0
231.03473	4.5
245.05054	100.0
246.05251	2.7
247.02956	3.6
257.05014	5.1
259.02811	3.2
263.06177	9.6
271.02939	3.2
272.75250	2.0
275.02859	3.2
275.06122	12.4
277.00073	2.9
286.07773	2.3
289.03778	9.7
293.07208	5.0
301.03906	3.2
305.07016	8.9
307.05078	9.6
319.05148	3.2
331.05124	3.3
335.04248	1.6
335.08206	4.5
349.06113	9.3
359.04578	3.4
361.05988	3.1
365.09125	16.3
377.05472	4.8
391.07217	4.6
409.08496	3.6
511.11230	4.4
539.10559	2.1
571.13818	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	570.4569
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05484	1.2
57.07067	100.0
59.04993	23.6
64.61085	0.7
65.45038	0.8
69.07051	2.8
71.08621	73.4
71.41229	1.7
71.41608	0.7
73.06543	0.8
83.08607	2.3
85.10170	63.3
87.04447	3.3
89.06017	50.6
97.10140	2.2
99.11721	13.0
101.09631	2.0
107.07074	1.8
108.12440	0.7
111.11688	0.9
113.13261	3.5
117.09144	4.0
130.08620	0.8
131.07030	1.9
133.08589	28.2
147.10179	1.0
155.17926	8.1
168.08327	0.8
175.09651	1.4
177.11200	15.5
195.12225	0.9
208.09016	0.7
213.22121	18.1
221.13791	1.9
239.14957	1.7
271.26309	6.6
283.17456	14.3
323.20557	1.7
341.21597	5.2
371.22791	2.2
408.26389	0.9
553.42871	1.5
570.44891	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.3418
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	0.6
55.05476	0.7
57.06841	0.5
57.07069	7.0
58.06580	1.7
64.95408	0.4
67.05487	0.8
70.02898	2.6
70.06213	1.0
70.06583	17.8
70.66086	0.5
71.08637	2.9
71.08949	0.5
72.08157	0.7
85.10172	1.3
86.79941	0.5
88.07619	25.7
89.06030	1.1
90.97968	0.5
95.04951	0.7
102.08490	1.1
102.09169	19.6
104.10726	2.4
105.03381	17.3
129.09088	0.8
131.04912	1.0
149.02341	11.9
149.05962	68.7
153.06883	0.7
175.03871	0.8
181.06468	2.1
181.89745	0.5
193.04950	11.3
194.71022	0.5
205.81389	0.6
212.23650	0.7
219.06572	1.4
227.20065	1.6
252.41225	0.5
256.26334	60.7
257.26605	0.9
277.02274	0.6
297.07559	16.3
337.27444	0.8
341.10165	66.3
342.10577	1.2
347.07309	0.6
504.41394	0.5
570.34216	100.0
571.34631	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	570.3549
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05491	0.6
56.31237	0.5
57.03440	0.5
57.06846	0.5
57.07068	4.2
59.04985	1.4
67.05492	1.3
69.65338	0.5
70.05906	3.4
71.08615	5.2
75.53973	0.5
79.05470	1.0
81.07025	1.6
83.08605	0.8
85.10175	2.9
87.04483	0.6
89.06018	4.0
91.05436	1.0
95.08576	1.7
95.73390	0.6
96.60670	0.5
98.98438	3.8
103.03922	0.9
105.07047	0.6
107.08553	0.6
107.66752	0.6
109.10111	0.6
117.07001	1.0
118.06524	3.3
119.07281	2.9
124.35213	0.6
124.99989	10.8
133.08539	2.0
134.09636	29.6
144.08086	9.9
145.08862	4.6
155.01015	2.4
160.11200	100.0
161.11522	0.7
162.09109	0.8
177.11125	1.2
178.12251	90.4
184.25783	0.6
209.84048	0.5
258.08890	67.3
313.27365	0.9
328.29239	2.3
332.12619	1.1
543.19409	0.5
552.34393	7.2
570.35413	23.0
571.35699	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01850	2.7
70.06571	13.1
70.11166	11.6
71.09199	2.3
76.25137	2.5
79.05462	4.1
84.08134	4.5
85.02885	3.6
86.09700	3.1
91.05463	17.3
95.05005	3.5
103.05442	9.4
105.07014	8.4
115.05410	6.0
115.08852	3.2
119.04156	3.2
119.04935	29.4
121.06429	4.5
122.03613	3.1
123.04391	3.6
127.03826	2.7
130.04141	7.9
131.04935	10.3
133.02867	7.0
133.06464	11.5
135.04424	3.1
137.04930	5.9
137.05966	100.0
145.02841	7.8
147.04369	24.4
149.05975	9.4
150.06729	10.0
151.07536	7.0
153.05424	4.7
161.05942	24.6
162.06758	38.2
163.07556	7.9
173.05948	9.0
175.03874	5.4
177.05507	10.2
179.06998	12.9
193.05020	5.3
201.05435	34.3
204.04216	4.4
207.06540	3.5
219.06522	28.1
219.08386	4.5
231.06543	6.8
233.05893	3.5
237.09135	3.2
249.07587	3.7
261.09698	2.8
265.08740	4.2
277.08563	5.8
293.07898	3.5
307.09692	5.4
311.21829	3.4
323.09033	17.2
325.10715	25.2
337.10641	5.2
343.11624	16.7
355.11792	24.3
373.90573	4.1
380.45087	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	570.2112
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	1.1
53.03936	8.6
55.01862	7.8
55.05495	4.3
55.31393	0.9
57.03426	5.5
59.99105	5.2
61.02917	6.4
67.05482	1.5
68.99784	3.9
69.03423	34.8
69.07088	1.3
69.56010	9.0
70.06577	3.3
71.04996	6.4
72.08146	4.7
73.02910	9.2
73.06552	9.5
79.05464	2.9
81.02938	2.0
81.03409	38.6
81.07031	2.0
83.01328	1.2
84.08132	2.0
85.02895	100.0
86.06059	4.7
86.09680	3.3
87.00819	29.5
87.04440	2.0
91.03938	3.3
91.05511	2.3
93.07033	2.1
95.04936	1.6
95.08567	1.9
95.38904	1.1
97.02881	36.2
99.04447	18.5
102.00123	2.2
102.99641	1.4
103.03912	1.5
104.10720	2.4
105.01852	40.0
105.07006	1.8
106.06543	69.6
109.02863	44.5
115.03931	1.9
115.08660	2.0
116.07045	2.0
117.01873	4.7
117.49659	1.0
119.08556	1.8
121.10136	1.2
127.03899	97.4
129.01825	5.8
132.04773	34.2
133.10138	1.2
134.05991	6.1
142.99117	0.9
144.01054	1.1
145.04974	60.9
147.02879	4.8
149.07109	1.0
157.13345	3.8
158.07222	1.1
159.02869	29.3
174.05783	1.0
177.03925	3.0
184.07329	1.7
187.05963	1.2
189.03911	1.8
191.11809	3.1
206.74098	1.0
208.05388	5.2
213.03905	7.4
217.10078	5.9
231.04965	48.3
249.06029	13.1
250.10118	4.8
280.11041	4.8
308.04376	2.5
377.52069	1.1
380.09973	12.2
465.15369	17.3
469.27411	1.1
552.35614	1.0
570.21198	6.8
570.29645	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	569.4257
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59874	1.6
55.05505	4.1
57.06800	3.9
57.07070	66.0
59.04992	13.2
61.96703	2.0
67.05505	2.8
69.07056	2.9
70.79668	6.2
71.08250	3.7
71.08625	61.8
73.50735	1.7
79.35979	2.0
83.08620	3.0
85.10174	54.4
87.04484	14.2
88.11126	1.8
89.06023	100.0
91.05479	3.3
91.07574	2.0
95.08572	2.3
99.11712	4.4
103.07566	5.8
107.07051	2.5
109.10197	2.7
115.81420	1.8
117.09123	3.5
119.08590	2.0
121.10091	2.0
130.08632	4.5
131.07076	2.7
133.08595	60.1
141.16414	2.3
142.00162	1.9
157.47153	2.1
174.51457	2.1
175.07489	2.5
175.09622	2.4
177.11215	16.1
193.08635	7.0
210.18124	1.9
353.18912	1.9
371.22864	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	569.4195
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76759	3.9
55.01866	12.7
55.05512	31.7
56.23379	4.8
57.07072	7.6
67.05502	39.0
69.03411	4.9
69.07044	18.6
71.04995	5.6
71.08588	5.4
71.76501	4.4
71.76888	5.8
79.05477	47.3
81.07051	63.6
83.08607	21.3
89.20009	4.4
91.05471	32.1
93.07024	24.6
95.04948	18.3
95.08579	31.6
97.10141	11.0
105.06993	27.7
107.08577	26.5
109.06499	20.8
109.10140	11.9
111.08025	10.2
117.07002	19.9
119.08577	31.0
119.84331	5.0
121.10130	13.8
125.09621	12.3
129.07005	7.4
131.08566	20.3
133.08685	5.0
133.10159	13.2
135.11670	5.8
137.09628	6.0
141.06960	4.6
143.08527	17.3
145.10124	26.9
147.08047	6.1
147.11661	11.7
149.09547	7.1
150.05411	4.8
155.08551	8.2
157.10123	20.3
159.11694	17.6
159.78149	5.9
161.09698	4.5
163.11108	10.4
167.08630	6.0
169.10121	14.3
171.11681	10.2
173.13188	6.1
183.11679	10.0
185.09660	5.7
185.13261	10.2
187.14767	5.3
189.11230	6.8
195.11710	7.2
197.13312	10.9
210.04623	4.8
211.14653	4.5
221.15401	4.5
273.18546	7.5
275.20038	8.3
291.19458	32.6
293.21121	16.0
306.38187	4.8
423.32742	5.2
445.32965	15.0
500.34909	6.1
502.15939	5.2
515.38818	7.6
533.40051	14.3
551.40936	32.3
569.41998	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.4194
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	2.7
55.01852	2.5
55.05507	12.3
57.03416	3.1
57.07056	4.9
59.04988	1.6
65.03928	2.1
67.05135	1.9
67.05495	35.1
69.03413	1.5
69.07056	12.2
70.26940	2.6
70.27364	3.3
71.04979	3.3
71.08624	1.9
77.03893	1.4
79.05486	34.6
81.03411	2.3
81.07046	66.1
83.04955	4.4
83.08608	10.7
85.06543	4.3
87.04407	1.4
88.95991	1.2
91.05466	45.7
93.07033	37.5
95.04966	9.1
95.08003	1.8
95.08597	31.4
97.06506	5.1
97.10158	2.7
99.08067	3.2
103.05450	1.7
105.04561	1.1
105.07016	57.5
107.04950	4.6
107.08582	25.5
109.06507	14.4
109.10140	14.2
111.08054	3.9
117.07001	14.9
119.08562	55.2
121.06483	3.3
121.10129	19.7
121.13897	1.1
123.08040	4.2
123.11680	8.8
125.09601	2.7
127.07541	1.5
128.06201	1.3
129.07007	7.5
131.08553	22.2
133.10114	49.4
135.08025	3.9
135.11684	15.5
137.09584	4.2
137.13243	1.7
143.08528	7.9
145.10112	22.6
147.08025	2.5
147.11673	61.8
149.09613	7.9
149.13226	12.9
151.11182	2.8
155.08527	2.3
157.10077	10.4
158.94965	1.4
159.11678	19.8
161.09616	2.5
161.13237	33.5
161.14528	2.3
163.11174	7.1
163.14848	3.2
165.12724	5.1
169.10129	1.8
171.11662	12.3
173.09637	1.6
173.13243	16.9
175.11195	3.7
175.14781	14.4
177.12718	3.4
183.11731	2.4
185.13156	7.8
187.14807	4.9
189.12782	2.6
189.16330	1.5
191.14233	1.4
193.12265	2.6
197.13217	3.3
199.14743	5.8
201.16422	2.9
202.92557	1.5
213.16281	2.9
215.17944	1.5
229.15796	1.5
229.19473	3.0
231.17558	1.3
231.21053	9.3
239.17946	3.7
241.19479	36.3
247.20528	3.5
249.18582	1.7
257.18954	10.1
259.20544	100.0
260.20795	1.9
275.20047	43.0
277.21567	4.6
293.21118	14.7
515.38824	2.0
523.41174	1.4
533.39783	5.0
551.40955	11.7
569.42078	6.1
569.56915	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2927
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	0.8
57.47263	0.3
67.05491	1.0
68.93726	0.2
69.07048	0.6
70.06590	0.7
70.48341	1.2
72.08154	0.3
79.05491	0.6
81.07047	1.2
83.08595	0.8
84.04491	0.7
85.02869	0.3
86.09692	0.4
91.05460	0.4
93.07021	0.7
95.04928	0.3
95.08578	0.5
97.06564	0.3
97.10178	0.3
105.07026	0.5
107.08586	0.4
109.10139	0.5
114.11945	0.2
119.08599	0.5
121.10161	0.3
121.15403	0.2
130.04965	0.3
185.04214	0.3
198.54909	0.3
243.93449	0.3
253.12779	0.4
259.08017	0.4
271.14154	0.4
331.10022	0.6
345.11612	0.3
371.22354	0.3
379.26907	0.3
407.24081	1.0
432.57880	0.3
457.20523	1.9
471.22015	2.9
480.51779	0.3
487.21506	0.7
569.29260	100.0
570.29456	1.9
587.44604	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.4197
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	9.3
55.01859	8.0
55.05507	57.7
57.07070	4.4
65.03931	3.6
67.05495	62.0
69.07064	25.3
69.61028	20.2
71.04982	6.8
79.05031	3.2
79.05488	61.9
81.03402	9.9
81.07047	53.9
82.70968	2.3
83.04967	10.1
83.08163	3.5
83.08611	37.6
85.06525	3.9
89.92679	2.1
91.05469	67.2
93.07036	60.2
95.04958	37.5
95.08598	42.5
97.06506	8.4
97.10140	7.6
98.20733	4.4
103.05523	2.1
104.84290	2.0
105.07015	65.7
107.04945	18.2
107.08581	36.1
109.06496	8.7
109.10149	17.0
111.08062	5.4
117.07023	26.1
119.08566	60.8
120.09347	2.6
121.06477	6.9
121.10139	30.0
123.08031	6.6
123.11724	6.4
125.09608	7.7
128.06168	3.5
129.06973	10.5
130.07742	2.6
131.08546	32.6
133.06450	4.7
133.10121	46.1
134.10898	2.4
135.08054	5.9
135.11673	20.1
137.09612	4.4
139.11153	4.5
141.06992	3.8
143.08559	8.0
145.06438	3.4
145.10106	35.1
147.08037	2.7
147.11665	30.8
149.09622	32.4
149.13219	5.9
151.11209	4.2
155.08542	9.5
157.10080	8.5
159.11668	20.1
161.13255	11.0
163.11157	34.9
165.12749	5.2
169.10094	8.4
171.11684	10.9
173.09634	3.7
173.13210	10.8
175.11127	6.3
175.14801	6.7
177.12738	3.2
181.10121	2.8
183.11674	7.2
185.13206	5.0
188.94670	2.3
197.13225	6.5
199.14748	2.9
201.01183	2.6
223.13214	17.7
229.19504	4.8
239.17926	13.4
241.19580	4.2
247.20689	3.7
257.19000	18.1
259.20572	9.9
275.20023	100.0
276.20755	11.5
277.21603	24.3
293.21063	23.7
299.23511	2.6
301.21655	2.9
377.81705	2.3
423.32544	3.1
441.33517	3.9
508.26346	2.4
551.40485	6.3
569.41998	11.4
569.56390	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2928
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18391	0.2
55.05506	0.2
67.05508	0.3
69.07055	0.4
70.16853	1.3
79.00342	0.2
79.64252	0.2
81.07060	0.4
83.08609	0.4
85.72324	0.2
91.05462	0.4
93.07015	0.3
109.10115	0.2
156.04053	0.3
169.47656	0.2
185.04204	0.9
201.03827	0.4
237.73482	0.3
245.27873	0.2
252.93480	0.2
259.07986	0.6
275.07401	0.5
310.52817	0.2
331.09949	2.8
333.19180	0.5
345.11426	0.5
351.20251	0.3
373.14859	0.3
387.16388	1.0
407.24152	1.1
427.19232	0.6
441.20892	3.3
443.22711	0.7
471.21915	0.5
499.21585	1.4
569.29248	100.0
570.29498	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	569.2924
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05491	0.9
67.05485	1.1
67.55133	0.3
69.03410	0.5
69.07054	1.0
69.63158	1.4
69.63588	1.4
70.06577	0.7
72.08150	0.6
79.05479	0.7
81.03397	0.6
81.07040	1.4
83.08595	0.5
83.87944	0.4
84.08115	0.5
85.02898	0.8
86.09660	0.4
89.06041	0.4
91.05456	1.0
93.07027	0.9
95.04948	0.5
95.08588	0.8
96.55029	0.4
97.02826	0.5
101.15788	0.4
105.07007	0.5
107.08538	0.4
109.10117	0.7
109.51904	0.4
114.10309	0.5
119.08549	0.4
123.08110	0.4
133.10057	0.4
142.25209	0.4
151.66344	0.3
169.65833	0.3
184.07338	0.7
219.00241	0.4
248.20006	0.4
259.07813	0.7
313.24191	0.4
407.23779	1.7
455.13968	0.4
457.20267	0.5
471.22031	6.2
569.29242	100.0
570.29620	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2926
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	1.0
64.25403	0.4
67.05495	1.4
69.03413	0.4
69.07066	0.9
69.81501	0.6
69.81916	1.9
70.06586	0.6
76.82767	0.4
76.84657	0.4
78.04012	0.3
79.05495	0.9
81.03384	0.5
81.07053	1.2
84.08139	0.6
86.09700	0.4
86.80872	0.3
91.05490	0.9
91.61235	0.4
92.70329	0.4
93.07042	0.7
95.04939	0.8
95.08592	1.1
97.02917	0.4
98.20786	0.7
105.07017	0.8
107.08607	0.7
109.10152	0.7
119.08607	0.9
127.03884	0.6
131.08574	0.5
133.10147	0.5
137.21416	0.4
185.04239	0.5
259.07828	0.5
351.20157	0.8
361.27502	0.6
407.23849	1.8
471.21826	1.9
569.29266	100.0
570.29724	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.1863
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.8
55.01857	2.9
55.05511	1.0
56.05031	17.1
57.03420	0.9
60.12571	0.7
61.00852	0.8
61.01143	11.0
67.05476	1.0
69.03412	1.6
69.07050	1.3
69.60159	2.5
69.60606	2.8
70.06583	2.0
71.04968	0.7
72.07833	0.7
72.08157	7.6
74.06088	5.4
76.25420	0.7
79.05474	1.7
81.03422	1.1
81.07035	1.2
83.06097	0.9
84.04498	6.2
84.08134	19.3
85.02892	2.5
86.09698	13.4
91.05434	0.9
93.07033	1.1
94.06561	0.8
95.04955	2.7
95.08621	1.0
97.02905	1.2
98.22836	0.7
101.07138	3.4
103.03949	0.9
103.05462	1.6
104.05320	35.8
105.05682	1.3
105.06994	1.1
107.04945	100.0
108.05264	1.4
109.02850	1.4
109.10133	0.9
115.05441	0.6
117.03719	0.7
119.08582	0.7
120.08096	14.4
121.02878	1.7
121.06521	1.4
121.10085	0.9
122.06052	0.8
123.04417	0.8
129.06602	2.2
129.10225	14.5
131.04944	1.8
134.06046	3.0
135.04379	0.8
137.05968	1.9
139.03934	1.2
145.06413	1.0
147.04320	1.0
149.06157	0.8
149.07430	8.3
151.03906	1.9
154.63388	0.6
159.04399	0.7
159.07649	1.4
161.05933	1.0
162.05473	4.3
163.03909	1.0
167.07021	1.3
167.11876	1.0
169.13277	1.0
173.05943	1.5
175.03874	1.7
175.07495	1.4
177.05473	1.3
177.08705	3.0
181.04890	1.3
185.05843	0.9
185.12965	0.6
187.03944	2.1
187.14442	2.0
189.05461	1.4
193.04935	3.0
196.14542	1.6
201.05534	1.8
203.03526	0.7
205.04909	4.8
209.36584	0.7
212.13840	0.8
213.05428	1.4
214.15540	1.3
215.03435	0.7
215.13976	0.7
217.04915	3.5
219.06544	1.7
219.14897	0.9
221.04509	1.1
225.05392	1.1
226.05316	1.0
228.17091	1.4
229.04887	3.0
230.15048	0.7
231.06552	2.6
232.11111	0.6
233.04344	0.9
233.16508	2.8
235.05991	1.9
241.04912	1.8
243.06273	1.6
243.08264	1.9
247.06000	6.3
247.14406	0.9
253.04813	0.8
255.06480	1.0
259.05972	5.8
260.10635	10.6
261.15936	2.0
271.06030	4.2
273.07660	0.9
275.05545	0.9
275.13861	1.4
277.07117	2.9
283.05942	0.9
285.07663	1.5
287.05670	0.6
287.09091	1.3
289.07034	2.4
295.05936	0.9
297.07602	1.1
299.09186	1.2
301.06995	3.8
311.09271	1.3
313.06979	3.0
322.38138	0.6
323.09280	0.8
325.07303	1.2
329.10370	1.6
331.08426	1.0
335.09167	1.0
341.10324	2.2
343.08160	1.2
353.10153	7.1
355.07983	0.9
360.23041	0.8
365.10202	3.6
373.19174	1.3
377.10217	2.7
383.11307	8.9
395.11209	6.4
399.10773	1.0
401.12430	7.8
407.11349	5.8
413.12323	4.3
419.11206	7.8
425.12112	1.2
431.13568	6.1
437.12466	3.6
449.12341	7.9
455.13309	2.7
461.12183	3.4
467.13474	5.6
479.13220	4.3
485.14560	1.4
494.79294	1.0
497.14539	2.9
515.15399	2.3
519.31342	0.9
531.65155	0.7
533.16913	1.0
569.29449	6.4
589.36847	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.4268
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28047	2.3
53.03938	4.7
55.05490	8.9
55.48509	2.4
57.07058	8.9
65.03941	5.2
67.05492	19.0
69.07051	13.5
70.06580	4.0
70.57130	11.4
79.05477	22.8
80.06241	5.0
81.07050	40.8
83.08598	4.7
85.06516	5.7
88.07633	4.0
91.05471	43.6
91.49910	3.0
93.07035	58.9
94.21990	3.0
95.04954	42.1
95.08603	34.3
102.09129	3.9
105.07014	85.2
107.08581	46.8
107.18320	3.2
109.06516	6.8
109.10154	18.9
115.05452	5.4
117.07009	27.2
118.73273	2.7
119.08563	100.0
120.09316	8.5
121.10127	34.1
123.08064	17.7
123.11675	5.8
128.06186	10.0
129.06993	20.6
130.07765	10.0
131.08551	53.3
132.09351	14.4
133.10112	59.8
134.10886	5.9
135.08032	3.6
135.11671	17.0
137.09554	5.9
138.10446	6.3
141.06996	8.1
142.07736	16.8
143.08557	47.5
144.09302	13.4
145.10106	91.7
146.10875	6.3
147.11655	26.1
149.09596	3.8
151.11148	4.5
155.08536	21.4
156.09386	18.2
157.10106	53.9
158.10858	11.6
159.11676	37.3
160.12482	3.5
161.09608	5.5
161.13187	5.5
165.06905	4.7
167.08504	7.8
169.10101	23.7
170.10892	7.1
171.11697	36.1
172.12512	3.9
173.13243	24.2
175.14836	18.0
177.12747	7.5
179.08530	10.5
180.09308	3.6
181.10136	16.4
182.10809	7.2
183.11665	29.9
184.12451	5.8
185.13243	28.6
186.14075	6.9
187.14812	14.9
189.12712	4.5
191.14273	11.5
193.10095	5.1
194.10934	9.7
195.11668	19.9
196.12421	9.9
197.13261	27.6
198.14063	4.1
199.14772	12.1
200.15585	4.3
201.12724	3.2
201.16353	8.0
203.14313	3.4
206.10945	3.3
207.11659	8.7
208.12494	4.6
209.13251	25.2
210.14003	5.3
211.14827	19.6
213.16396	8.2
217.15851	7.4
219.11537	5.0
221.13272	8.4
223.14783	11.9
224.15419	4.5
225.16307	6.0
233.13190	4.3
235.14795	8.0
237.16306	9.3
239.06693	2.7
239.18033	7.4
241.19458	4.5
249.16487	3.8
253.19395	3.0
259.14703	3.9
263.17908	4.9
283.20621	3.6
283.26196	3.2
284.29437	9.3
285.22015	6.6
297.22083	3.2
311.29303	8.2
319.24197	2.8
323.23639	7.3
337.25089	4.2
338.26025	52.3
342.39575	2.7
430.32391	16.0
476.36530	16.3
501.68515	3.1
568.42773	30.0
568.56464	28.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.3088
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00336	0.5
52.65389	0.5
55.01862	0.6
56.05027	0.6
60.04502	2.6
63.23622	0.5
67.05492	1.0
69.07059	8.3
70.06592	15.8
72.08145	1.1
75.05583	2.3
79.05488	1.5
81.03388	1.7
83.06091	3.0
83.08607	0.6
84.04485	0.8
84.08138	1.0
85.02883	1.3
86.09696	100.0
91.05453	0.8
93.04523	1.8
95.06076	2.9
98.21413	1.2
103.17824	0.6
105.06996	0.8
109.06486	0.9
110.07151	62.6
112.03957	9.2
119.04893	0.5
121.02814	0.7
130.04947	0.8
130.06488	1.4
132.04416	0.7
137.05937	0.8
139.04970	0.7
143.11797	8.3
156.07671	78.3
157.07605	3.6
157.09753	2.5
158.06000	2.0
159.09180	1.5
166.06139	1.3
169.06067	4.0
175.08652	6.0
185.07118	0.8
185.09239	2.0
187.07143	0.7
193.12222	1.8
203.03288	0.7
251.15047	2.3
254.14952	2.2
267.15726	1.3
269.13104	1.0
269.16043	20.0
272.16031	8.0
275.13873	1.4
285.17044	1.9
296.06256	1.2
297.06583	0.7
298.32605	0.6
300.15555	20.5
308.06433	1.0
309.07083	0.7
328.08005	1.0
338.07150	0.9
339.07672	0.8
340.07892	0.7
351.07919	0.7
366.14490	4.6
375.14142	1.4
381.08847	0.8
382.08951	1.8
382.24658	0.7
390.09860	0.7
394.09036	1.5
410.08905	0.8
412.10052	1.4
413.24005	3.3
429.10272	0.6
430.10999	1.1
439.26605	1.0
454.11066	0.7
460.09985	0.8
481.19971	0.9
484.12573	0.9
496.11981	0.6
502.12952	1.0
514.13141	2.1
532.14014	1.6
550.29938	2.6
568.30914	37.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02957	1.6
53.03923	1.4
55.05509	2.1
55.16521	1.7
61.02906	2.7
67.05475	1.5
69.03400	5.6
69.62527	3.7
69.62926	11.8
70.06581	7.7
72.08121	2.8
79.05491	7.8
81.03397	3.6
81.07062	2.1
81.90913	1.3
82.10474	1.6
84.08136	4.3
85.02887	10.0
85.50455	1.4
85.97418	1.5
86.09684	5.7
91.05465	9.2
92.47961	1.8
93.07040	1.8
95.04943	3.7
97.02872	3.1
103.05437	4.3
104.06222	1.5
105.07024	19.1
107.04940	16.5
110.07175	2.2
115.05457	7.5
117.07024	4.6
119.08598	7.2
120.08074	4.3
121.06472	2.1
123.04388	5.4
124.05231	2.1
127.03847	2.5
127.99502	1.6
128.06192	4.4
129.06996	9.4
129.10254	2.4
131.04926	8.3
132.05670	7.0
133.06485	17.4
137.05934	7.5
141.06995	3.0
143.04924	1.6
143.05963	1.8
145.04924	1.5
145.06442	3.5
147.04393	2.2
147.08029	10.7
149.23509	1.5
151.03900	2.5
152.04613	2.2
159.08009	3.5
160.05177	7.5
161.05995	20.1
163.07489	4.1
167.07028	87.5
169.06445	3.4
175.07538	100.0
179.07002	4.3
187.07527	13.1
191.07040	8.9
193.08594	57.4
193.10368	2.1
199.07576	8.1
201.09024	4.6
218.07045	2.2
221.09656	3.0
231.07968	2.8
233.09702	2.3
239.47806	1.6
247.07623	2.8
249.08990	3.3
251.07028	2.1
261.09207	2.7
264.43216	1.6
278.09189	1.9
281.11737	6.1
289.08603	3.5
295.42694	1.6
309.11206	5.8
321.11166	5.3
323.13104	2.0
339.12289	1.8
341.13806	27.8
353.13800	12.2
355.15274	10.8
359.15137	2.3
371.14923	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	567.4039
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11694	3.1
53.03932	5.2
55.01858	8.8
55.05509	39.1
55.75774	2.8
57.07067	6.2
65.03931	6.3
65.11018	3.7
67.05499	36.8
69.07064	19.1
71.76325	6.0
71.76690	3.7
79.05492	32.1
81.06602	5.6
81.07050	71.7
83.04964	5.6
83.08617	18.3
83.09024	3.3
83.10681	3.6
91.05470	37.3
93.07036	35.0
94.23074	3.8
95.04953	14.8
95.08600	36.7
95.66449	3.5
97.10141	11.6
105.07026	35.6
107.08593	21.4
109.06496	18.2
109.10121	17.8
111.08099	6.8
112.75095	3.3
115.05459	5.8
116.78085	3.0
117.07028	23.7
119.07820	5.8
119.08587	40.1
121.06536	4.6
121.10128	18.4
122.10466	4.1
123.08084	5.7
123.11709	8.6
125.09624	11.5
128.06213	6.2
129.06990	14.2
129.71793	3.1
130.07784	4.0
131.08542	30.7
133.06412	4.2
133.10101	21.4
135.08072	3.7
135.11690	9.4
137.09550	4.2
139.22307	3.3
141.06947	4.8
142.07730	9.5
143.08537	20.7
144.08939	3.7
145.10133	33.0
147.08069	11.3
147.11665	13.0
149.09668	4.5
153.06998	4.9
155.08513	8.3
157.10095	24.6
159.08022	7.2
159.11694	19.3
161.13202	6.5
167.08551	5.5
168.09151	3.7
169.10123	18.6
171.08084	4.6
171.11662	14.5
173.13242	11.8
179.08507	3.8
181.10138	8.1
182.10661	3.1
183.11711	16.5
185.09523	5.0
185.13248	14.5
187.14836	5.2
193.10133	6.6
195.11664	10.3
197.09621	4.4
197.13274	10.0
199.14842	5.0
207.11731	5.7
208.12169	4.1
209.13232	6.1
211.14751	7.8
221.13307	5.4
222.15778	5.0
225.16386	5.7
233.13203	4.8
236.15016	3.8
239.18060	4.0
247.14543	4.0
257.18942	10.1
273.18481	7.8
275.20053	7.7
291.19464	35.1
313.21649	5.1
336.51767	3.7
342.22672	3.8
421.30722	5.4
441.33887	8.1
443.31393	6.8
457.32922	4.6
461.83124	3.7
513.37030	4.5
531.38171	10.7
539.41632	5.7
549.39404	30.3
567.40637	100.0
568.40784	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	567.3369
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	6.2
54.73949	3.2
55.01852	4.3
55.05507	32.2
56.96593	3.1
57.03426	6.0
57.07053	11.9
59.04987	4.7
65.03945	4.5
67.05496	37.5
69.03421	24.5
69.07057	55.1
70.06580	11.3
70.88969	7.0
71.04972	11.5
71.08619	3.9
72.08163	4.1
73.02900	3.7
79.05470	14.9
81.03393	11.3
81.07048	100.0
83.04980	5.5
83.08612	26.9
84.08138	5.4
85.02906	22.5
85.06532	18.3
86.09650	4.7
87.00802	9.5
91.05457	28.0
93.07037	35.5
95.04957	10.0
95.08595	87.1
97.02860	8.4
97.06543	4.4
97.10155	23.9
99.04417	6.4
99.08072	10.4
100.11224	9.1
105.01836	7.1
105.07025	28.1
105.22385	2.9
107.04960	4.6
107.08588	32.0
108.08820	3.0
109.02855	9.1
109.06492	4.3
109.10141	72.7
111.11706	10.0
113.09608	8.2
119.08550	6.0
121.06432	4.3
121.10129	31.1
122.27086	3.1
123.04426	3.8
123.11691	42.1
125.09632	5.8
125.22627	3.3
127.03917	20.3
127.11151	5.3
131.04935	3.3
133.06499	3.5
133.10075	10.3
135.08015	3.8
135.11688	29.4
137.05991	15.6
137.09634	6.1
137.13242	31.4
145.10127	6.1
147.11652	5.9
149.09555	4.5
149.13275	18.1
151.03891	4.6
151.07507	5.1
151.14792	13.2
155.08531	3.3
155.14294	4.2
159.11717	4.1
161.06029	6.3
161.13249	5.0
163.07574	3.4
163.14793	18.4
165.09125	5.8
165.16362	10.5
167.07013	8.2
169.15770	3.8
177.16373	18.8
179.17918	4.5
181.05049	5.1
182.15370	13.9
183.17451	6.0
184.07281	3.4
191.17924	16.9
193.19579	4.3
193.45343	3.3
195.17406	4.9
203.14517	3.8
210.14859	11.4
231.17116	3.8
247.24165	37.7
265.25235	45.1
283.26288	50.3
299.05243	5.8
301.27390	23.8
319.28506	4.5
325.11078	3.6
326.83246	3.7
329.06461	9.1
353.06845	5.0
367.12103	4.7
395.07748	4.5
531.13690	3.8
567.27252	11.4
567.34760	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	567.2768
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.9
55.01850	1.3
55.05478	4.2
57.03403	1.9
60.08134	3.8
67.05501	15.9
69.03404	2.6
69.07027	3.8
70.06626	2.0
70.07038	7.0
72.08096	2.1
72.40007	1.1
79.05486	7.0
81.03413	9.6
81.07047	10.1
82.88399	1.5
83.04956	2.9
83.08590	2.8
85.02845	1.6
86.09700	12.2
87.10001	2.4
91.05453	3.0
93.07018	7.6
95.04943	2.7
95.08570	4.1
97.02859	1.8
97.10139	2.2
99.04417	1.2
104.10088	1.6
104.10735	16.6
105.07018	2.9
105.11038	2.4
107.08542	3.4
109.02874	1.7
109.10128	8.4
111.04404	2.4
117.06962	2.3
119.08532	3.6
120.08098	1.3
121.10081	1.2
124.99981	6.2
127.03831	1.4
131.08540	2.6
133.10083	1.8
135.11633	1.6
147.11604	1.4
149.13173	2.2
159.11621	1.5
160.25720	1.1
173.11694	4.1
184.07327	22.3
185.07599	5.4
224.52589	1.2
299.14804	1.3
331.09912	5.5
350.53949	1.4
351.18457	1.3
469.20020	7.4
542.89606	1.4
549.26581	25.7
567.27380	100.0
568.27185	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	567.2222
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	2.1
55.05498	2.5
65.03925	9.0
66.04694	1.5
67.05502	3.3
69.03378	1.7
70.06580	4.9
71.49772	1.4
71.75865	1.7
72.08144	1.6
74.06091	1.6
78.04671	3.8
79.05476	10.2
83.08635	1.8
83.97646	1.6
84.08124	5.0
86.09686	3.4
91.05484	10.5
95.04949	4.8
97.02981	1.8
100.11249	7.5
103.05443	6.6
105.07035	11.4
106.04150	2.0
107.04920	14.3
110.03666	5.4
111.04443	10.2
115.05439	5.5
117.06995	1.8
119.04929	6.6
119.08578	3.2
121.06482	1.7
122.03638	1.6
123.04405	9.1
124.05206	3.8
125.05994	7.8
128.06238	3.8
129.06978	6.7
130.04036	1.9
131.04904	7.3
132.05695	2.8
133.02809	2.8
133.06459	8.1
134.03644	1.8
137.05966	17.1
144.05682	2.3
145.06488	4.4
147.04402	8.4
147.07974	4.2
149.05956	2.9
151.03865	4.7
151.07440	1.8
152.04659	2.0
153.05452	26.4
155.04771	1.9
156.05676	1.6
157.06454	1.9
159.08000	7.0
160.05138	3.1
161.05959	14.4
162.06737	2.0
163.07533	4.0
167.07030	100.0
169.06490	1.8
171.04378	1.8
172.05099	4.5
175.07530	25.3
177.05424	3.6
178.07817	2.1
179.07043	5.7
181.04970	2.4
182.15393	4.5
184.05080	1.8
185.05997	1.8
186.06659	2.0
187.07524	18.5
189.05421	4.6
189.07047	2.8
189.09055	2.4
190.07788	2.6
191.06979	10.2
199.07568	8.8
202.07825	4.3
203.08534	3.8
205.06497	3.6
206.07249	4.5
207.06442	2.7
207.08122	2.3
210.14888	3.3
218.07330	4.8
219.07974	5.8
220.08734	3.3
221.05980	2.8
221.09581	3.7
228.15961	2.3
231.08055	4.6
232.08809	3.5
233.05876	1.7
233.09621	5.8
234.06689	4.8
235.07474	3.8
237.09012	3.5
245.06033	2.2
246.06694	2.6
247.07468	5.6
248.08273	5.3
249.09100	7.3
250.06345	1.9
251.06935	4.7
251.10646	3.7
252.07744	1.9
259.07336	2.3
260.08221	1.8
261.05490	2.1
261.08948	5.6
262.06143	2.7
263.06897	3.6
263.10718	3.7
264.07870	3.1
265.08606	8.0
267.09760	1.6
275.07013	3.9
276.07834	10.5
277.08575	6.5
278.09296	3.7
279.06561	2.7
279.09961	3.2
281.11600	10.2
283.09409	1.6
289.08478	3.4
290.09299	2.4
291.10025	7.4
292.07263	3.2
292.10504	2.1
293.08044	4.4
293.11469	3.1
295.10208	1.7
305.08014	2.8
306.08786	2.4
307.09644	12.9
308.10358	4.1
309.11307	9.2
319.09631	9.2
321.11145	10.3
322.11673	1.8
323.12732	4.9
326.11307	2.1
337.10693	2.3
339.12268	38.1
341.13907	18.2
351.12228	19.9
353.13699	11.2
369.13300	3.0
379.15326	1.8
549.21143	2.1
566.92664	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	566.3086
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	0.2
55.05484	0.4
55.21831	0.1
56.05032	0.7
58.06613	0.5
60.08157	6.2
67.05486	0.5
69.07051	0.3
70.06573	0.4
71.02094	0.4
71.07368	3.0
72.08128	0.2
79.05477	0.4
80.61230	0.2
81.07047	0.7
83.57629	0.1
85.02898	0.2
86.09695	29.8
86.97533	0.2
89.06014	0.2
91.05447	0.4
93.07017	0.3
95.08598	0.5
98.09663	0.3
98.21378	0.2
98.98454	2.9
104.10728	4.2
105.07017	0.2
107.08591	0.3
109.06494	0.3
111.04396	0.2
114.08451	0.1
119.08540	0.3
121.10090	0.2
124.99989	20.8
133.10236	0.2
137.05965	1.2
143.01036	0.3
167.07039	0.2
184.07323	100.0
185.07716	0.5
197.13440	0.2
231.17500	0.2
258.10956	0.2
431.28494	0.2
512.13202	0.2
534.28375	0.3
548.30206	0.8
566.31311	6.2
567.31720	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.2221
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	2.7
55.05508	3.0
65.03925	5.7
67.05483	2.7
70.06578	7.0
71.75747	1.9
71.76247	3.1
71.85580	1.6
78.04691	5.2
79.05474	9.7
84.08127	4.7
85.90613	1.5
86.09684	3.1
91.05473	11.6
91.58261	1.7
95.04929	4.6
100.07635	1.9
100.11236	7.3
103.05467	9.0
105.07043	11.5
106.04140	2.8
107.04929	10.6
110.03641	5.4
110.07127	2.0
111.04418	10.5
115.05421	7.1
117.06962	1.7
118.04156	2.9
119.04946	10.6
119.08542	2.1
120.08070	2.4
121.06494	2.0
123.04415	6.6
124.05174	6.2
125.05956	9.5
125.98125	1.7
128.06262	2.6
129.07002	9.0
129.10234	1.7
131.04897	8.7
132.05656	4.3
133.02847	3.1
133.06494	9.1
135.67810	1.9
137.05954	17.2
144.05704	2.6
147.04398	11.4
148.05109	2.1
149.05981	3.9
151.03862	4.3
151.07506	1.9
152.04730	2.2
153.05455	32.9
157.06534	1.8
159.08018	6.5
160.05190	3.1
161.05986	11.8
163.07494	4.3
165.06895	2.0
167.07028	100.0
168.05728	1.8
171.04404	2.0
171.08080	2.2
172.05145	2.2
175.07555	22.4
177.05496	3.7
178.07678	2.2
179.06970	5.9
179.08508	3.0
181.04974	2.9
181.06543	2.2
185.05910	1.9
186.06689	2.7
187.07526	22.7
189.05421	5.1
189.06973	3.5
190.07764	4.5
191.07014	7.2
199.07553	9.3
202.07736	4.6
203.06799	2.0
203.08559	5.6
204.08943	1.8
205.06471	5.1
206.07181	2.9
207.06389	2.2
207.08125	2.9
209.07985	2.3
210.14951	3.4
215.08595	2.5
216.07718	2.4
218.07236	5.8
219.08037	7.4
220.08778	4.9
221.09723	4.4
229.08513	2.1
231.07959	5.2
232.08684	2.4
233.05960	5.0
233.09595	5.0
234.06746	5.6
235.07500	5.3
236.08272	3.1
237.09239	3.3
245.05884	2.1
246.06821	2.2
247.07530	6.6
248.08340	5.4
249.09019	8.5
250.06180	2.3
250.09932	2.4
251.06903	3.5
251.10692	5.7
259.07568	2.3
260.08344	2.3
261.05344	2.7
261.08984	8.8
263.06952	4.0
264.07751	5.2
265.08606	7.1
275.06992	2.9
276.07742	9.8
277.08466	6.9
278.09384	5.0
279.06555	2.1
279.09897	4.5
281.11667	6.3
288.07858	2.7
289.08542	5.1
290.09375	4.3
291.06485	2.4
291.10071	7.6
293.08093	4.6
293.11465	1.9
294.08841	3.5
295.09616	3.9
305.08032	2.6
306.09012	2.6
307.09656	16.4
308.10333	5.8
309.11313	8.3
310.11713	2.0
319.09583	12.8
320.10510	3.1
321.11139	8.7
322.08197	2.1
322.11896	3.0
323.12836	5.5
337.10663	3.1
339.12271	49.3
340.12576	2.4
341.13864	14.4
351.12271	27.6
353.13696	7.7
566.53479	1.8
567.21777	2.1
576.34143	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.2953
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.5
55.01854	2.1
55.05503	3.0
58.21074	0.6
59.33845	0.6
61.02920	1.0
66.63060	0.6
67.05495	6.9
68.05009	1.0
69.03427	1.3
69.07061	7.6
70.06584	75.4
71.04978	1.1
71.22012	1.0
71.22337	0.8
72.05029	0.5
72.08146	0.8
73.89925	0.7
79.05482	8.5
81.03391	2.9
81.07043	13.9
83.04967	1.1
83.07354	1.1
83.08612	0.9
85.02927	1.0
88.38193	0.6
91.05476	7.1
93.07022	6.0
95.01331	1.4
95.05000	3.0
95.08595	6.8
96.08110	6.2
97.02861	1.0
97.06528	0.9
97.10159	1.2
99.08070	0.7
105.07021	11.2
107.04949	1.9
107.08579	3.7
108.08105	1.9
109.06521	3.6
109.08910	3.9
109.10155	2.4
110.06044	1.3
110.09675	0.7
114.05531	1.3
116.07081	60.6
117.07025	2.1
119.08566	9.3
121.06500	2.1
121.10143	2.7
122.09639	0.7
123.04399	0.9
123.08018	3.0
124.07582	7.7
125.02331	0.8
125.09625	0.6
127.03957	0.9
129.07016	2.3
131.04953	1.0
131.08557	5.2
131.39148	0.5
133.06512	1.4
133.10118	4.6
135.08041	1.8
135.11694	1.4
136.11263	1.0
143.08543	2.2
145.06436	0.9
145.10149	4.0
147.04420	0.8
147.08017	1.4
147.11681	2.3
149.09641	1.4
149.13275	0.8
150.12819	0.8
153.07935	0.7
155.08560	1.3
157.06506	0.8
157.10133	1.3
159.08138	1.2
159.11699	2.0
161.09618	1.5
165.05467	0.9
166.08565	1.1
169.10153	2.0
171.07968	0.6
171.11690	2.1
173.09566	0.8
173.13200	0.8
175.11188	0.8
177.12830	1.0
183.11731	1.1
185.09543	1.0
187.11237	0.8
189.12619	1.0
190.81476	0.5
195.11684	0.7
199.11147	0.6
207.13850	1.4
211.11157	0.7
219.13828	0.6
239.17906	0.9
257.19080	1.6
264.19586	1.8
266.21155	12.6
275.19940	6.1
287.20096	1.6
288.49493	0.6
289.21609	2.4
291.15872	1.0
294.20667	1.1
303.19583	0.8
305.21048	1.0
307.15375	1.1
311.14728	0.7
315.19437	0.7
322.20071	3.4
325.16306	1.1
327.19754	0.8
333.20920	0.9
335.14841	0.9
362.26770	3.6
369.20465	0.9
371.22119	1.9
380.08530	0.9
387.21680	1.3
389.23270	0.9
390.26257	6.0
398.09802	0.8
405.22729	1.4
433.22281	5.9
440.22922	0.7
451.23236	21.7
452.22916	1.8
477.03992	0.8
478.27893	5.3
506.27490	1.3
512.13025	1.0
538.30084	14.1
566.29559	100.0
567.30096	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	566.2956
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.9
55.01862	2.9
55.05497	3.7
57.03430	0.8
57.07073	0.7
61.02921	1.4
65.23698	0.7
67.05497	7.5
68.05021	1.6
69.03420	1.6
69.07066	9.4
69.78226	1.7
69.78645	3.7
70.06586	68.2
71.05009	1.2
79.05479	7.1
81.03403	3.3
81.07053	14.9
83.04967	1.1
83.08617	1.3
85.02913	1.2
91.05467	6.6
93.07033	5.5
95.01344	1.4
95.04971	3.8
95.08595	4.2
96.08120	5.9
97.02902	0.8
97.06528	1.3
97.10173	0.7
98.21333	1.6
99.08096	1.0
100.07582	0.9
105.07018	9.2
107.04948	2.6
107.08585	3.9
108.08125	1.8
109.06521	3.1
109.08893	5.8
109.10116	1.6
110.06055	2.5
114.05556	0.8
116.07083	61.0
117.06952	3.5
119.08581	8.6
121.06508	1.9
121.10156	2.8
123.08081	3.5
123.11632	0.9
124.07597	7.5
126.51864	0.9
129.07004	2.4
131.08556	4.4
133.06499	1.3
133.10062	3.5
135.08017	1.4
135.11736	0.9
139.03915	0.7
143.08572	2.6
145.06464	1.2
145.10130	3.6
147.04369	1.0
147.08015	1.6
147.11684	2.7
148.11212	0.8
151.03929	1.1
155.08549	0.8
157.10182	0.9
159.08031	1.7
159.11678	1.8
161.05980	0.8
161.13235	0.9
169.10059	0.7
171.11729	1.5
173.09723	0.7
175.11183	1.0
183.08200	0.9
183.11751	1.0
187.07652	0.8
207.13841	1.5
222.56775	0.7
248.20049	0.8
251.96066	0.8
257.19058	1.3
264.19537	1.7
266.21133	17.1
266.23856	1.1
275.20001	5.1
287.20020	2.0
289.21643	2.7
293.13657	0.8
294.20728	1.4
305.21002	1.0
322.20181	3.1
333.20648	1.0
351.19168	0.9
362.27039	1.8
371.21902	1.2
389.23322	0.9
390.26495	3.4
402.74451	0.8
405.22653	1.7
415.21133	1.0
433.22208	4.5
440.22839	1.0
451.23257	22.3
451.29355	1.4
452.23196	1.3
478.28015	6.4
538.30103	19.4
566.29584	100.0
567.30304	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	565.4034
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82399	1.2
53.03944	2.4
55.05508	9.5
57.07072	7.1
59.04992	2.6
65.03918	2.6
67.05495	17.2
69.03413	4.1
69.07067	11.2
70.06855	3.8
70.07265	2.6
71.08611	1.9
79.05485	18.0
81.07044	22.2
83.04967	3.8
83.08604	4.5
85.06544	3.5
91.05471	28.5
93.07031	31.5
95.04972	7.7
95.08593	21.6
97.06532	3.6
98.21491	1.2
103.05466	2.9
105.07018	50.7
105.07728	2.7
105.50745	1.3
107.08582	28.7
109.06506	5.2
109.10149	16.4
115.05460	2.7
117.07013	12.0
119.08569	55.1
120.35636	1.1
121.06507	1.9
121.10128	37.8
123.08055	7.9
123.11703	5.4
125.05995	2.3
125.09635	2.2
128.06160	6.9
128.30910	1.2
129.06973	10.5
130.07785	3.9
131.08548	21.7
131.09456	1.8
133.10114	32.4
135.07170	1.1
135.08006	6.1
135.11668	12.7
137.09634	4.7
139.11197	2.0
141.07002	5.7
142.07764	16.0
143.08557	22.9
144.09343	4.2
145.10106	40.4
147.08049	5.2
147.11658	12.5
149.09624	5.4
149.13293	1.5
151.07579	3.0
153.06973	2.5
154.07761	3.0
155.08536	12.5
155.10638	1.5
156.09337	10.1
157.10115	34.9
158.10909	5.1
159.08095	3.0
159.11678	17.1
161.09583	2.5
161.11981	1.2
161.13228	5.7
161.97939	1.3
163.11176	4.3
165.06973	5.6
165.09102	9.2
166.07761	1.7
167.08615	7.0
167.10661	12.5
168.09329	5.1
169.10106	21.1
170.10873	5.6
171.11674	22.0
171.13075	1.9
172.12434	1.3
173.09607	2.3
173.13271	17.7
173.23921	1.1
175.11232	2.4
175.14845	5.7
178.07841	1.7
179.08554	9.4
180.09322	4.7
181.10121	9.8
181.12219	3.8
182.10913	5.1
183.11691	16.8
184.12404	2.8
185.13216	14.5
186.14012	1.4
187.11104	1.3
187.14809	7.0
189.12668	2.4
191.08444	1.3
192.09352	3.6
193.10114	11.6
194.10789	7.3
195.11647	18.0
196.12428	4.0
197.13229	15.0
198.13876	1.2
199.14792	9.9
201.16388	5.2
203.08600	1.3
203.14314	5.0
205.10155	4.2
206.10918	5.3
207.11723	12.2
207.13686	2.3
208.12488	5.2
209.13237	17.8
210.13972	3.7
211.11186	2.1
211.14745	9.2
213.12759	1.2
213.16389	4.2
215.14371	4.1
217.10172	2.0
218.10912	1.5
219.11600	6.3
220.12505	5.5
221.13239	10.8
221.15398	17.8
222.14085	2.4
223.11212	1.5
223.14737	8.2
224.15611	1.3
225.16374	4.3
227.14256	2.6
229.10036	1.9
229.16028	2.0
230.10895	1.7
231.11723	4.1
231.17436	1.6
232.12404	2.4
233.13203	7.4
233.15407	6.4
234.14023	2.5
235.14856	11.2
236.15704	1.6
237.16403	6.7
239.17976	3.7
241.15794	1.6
243.11655	3.2
243.17458	1.3
244.12410	1.8
245.13196	6.6
246.14021	3.2
247.14784	6.7
247.16983	1.8
248.15570	2.3
249.16383	5.9
250.17380	1.6
251.17877	7.7
253.15907	1.5
253.19563	2.7
257.13248	5.1
258.14102	3.4
259.14691	6.1
260.15765	2.1
261.16190	6.1
262.16788	1.7
263.17822	5.5
265.19440	7.6
269.19025	2.2
270.14026	2.1
271.14859	2.1
272.15533	2.4
273.16397	3.4
274.17044	1.7
275.18015	4.5
277.19510	7.5
279.21124	2.6
281.18906	2.0
282.13876	1.4
283.20651	3.2
284.15475	1.7
285.16223	2.9
287.17752	2.7
289.19543	4.4
297.16241	1.9
299.17902	1.5
300.18573	1.5
301.19574	2.2
303.20972	2.0
307.20575	2.7
316.21786	1.7
317.22626	2.0
329.22690	2.3
331.24304	4.0
332.16071	1.4
333.22220	1.6
335.23526	2.9
343.24197	2.8
345.25818	1.5
347.23349	1.8
349.19946	1.2
355.24146	2.2
357.25757	4.0
365.24704	3.6
373.02097	1.3
383.27567	1.9
385.28714	1.6
385.68405	1.4
407.28375	2.0
425.28854	1.7
459.32669	1.5
473.34219	10.1
509.34146	1.9
547.39362	16.2
565.40350	100.0
566.40680	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.2637
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.6
55.05498	2.5
58.63599	0.9
60.75431	0.8
61.02919	0.8
62.12933	0.8
67.05487	3.2
69.03410	4.0
69.07051	1.6
69.28261	0.9
70.39444	3.7
71.04955	1.3
79.05465	2.4
81.03403	4.6
81.07044	6.3
85.02892	12.3
87.00819	4.8
91.05489	6.5
93.07037	7.3
95.08604	6.0
97.02884	4.0
97.10145	5.4
99.04466	2.5
104.61011	0.9
105.01848	3.9
105.07014	11.3
107.08576	4.7
109.02870	7.1
109.10132	10.5
117.06994	2.3
119.04955	1.2
119.08569	16.0
121.10117	5.3
123.08054	1.0
123.11694	1.1
127.03912	10.6
129.06956	1.3
131.08539	4.2
133.06453	2.1
133.10100	4.3
135.11691	2.2
137.09615	1.0
141.08389	0.8
143.08551	5.8
145.04927	1.2
145.10153	6.7
147.08028	6.2
147.11687	5.8
149.09593	2.2
149.13312	1.2
153.09024	1.3
155.08537	5.4
157.10078	4.4
159.11659	4.2
161.09631	2.6
161.13225	3.8
163.11185	2.4
169.10123	8.8
171.11725	7.2
173.13242	3.4
175.11147	12.1
177.12720	1.2
183.11673	3.7
185.13251	3.6
187.14792	1.5
189.12718	3.5
197.13248	7.6
199.14859	1.5
211.14818	5.5
213.16275	1.6
215.14279	1.5
225.16374	7.8
227.17941	4.0
229.15804	3.1
231.04848	2.4
241.19559	4.0
243.17346	5.1
243.21089	2.5
253.19490	33.7
271.20541	100.0
272.20993	1.4
299.20004	21.7
317.21103	12.7
379.22519	1.2
407.21790	1.1
431.37335	1.1
552.68768	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1908
Annotation	Isoliquiritigenin 2'-glucosyl-(1->4)-rhamnoside
Peak:m/z	Relative Intensity
53.03933	1.4
55.01868	4.7
55.05495	0.9
57.03423	1.9
59.03830	0.7
60.22482	0.8
63.35629	0.8
65.03922	3.3
69.03394	2.0
70.06570	3.1
71.01338	0.9
72.08138	1.0
73.02903	0.8
79.05466	3.0
81.03416	4.8
83.01311	0.9
84.08096	1.3
85.02890	10.1
86.09703	2.3
91.05472	100.0
92.05800	1.3
93.03397	1.1
95.01295	2.2
95.04951	3.1
97.02870	3.7
100.11226	2.4
103.03939	1.4
103.05470	3.9
105.03356	1.4
105.07021	84.6
105.62490	0.8
107.04968	2.4
109.02882	4.8
110.07178	0.9
111.04430	1.4
115.05454	11.6
116.49273	0.8
117.07006	3.1
119.04950	1.6
120.08067	1.4
121.02858	8.7
121.06474	1.7
123.04414	2.4
125.02320	0.9
125.39897	0.7
128.07056	0.9
129.06979	3.1
131.04906	3.6
133.02824	1.4
133.06470	8.1
135.04372	2.6
136.07616	0.9
137.05962	5.6
139.03880	4.2
141.06969	1.6
143.04837	1.3
145.06453	3.5
147.04375	3.4
149.02301	1.0
149.05962	2.3
151.03891	9.3
151.07529	1.7
155.04865	1.7
157.06462	8.8
159.04384	1.6
159.08121	1.0
161.05959	4.2
163.03879	10.1
165.05450	0.9
165.06973	1.7
167.07036	3.6
167.08463	1.7
168.13885	0.8
169.06535	1.1
171.04436	1.6
173.02367	1.2
173.05983	3.0
175.03908	5.3
175.07483	2.4
177.05432	3.1
178.07841	0.9
179.03407	0.9
179.06975	1.3
179.08453	1.6
181.04898	3.3
181.06425	2.0
182.15280	1.4
183.08008	1.1
184.92598	0.7
185.05965	2.4
187.03885	3.8
187.07440	1.5
189.05484	2.4
191.03343	1.5
191.07027	1.0
191.08609	1.9
193.04967	1.2
193.06479	1.2
193.10120	1.7
195.02725	1.1
195.08067	1.8
197.05917	1.0
199.03758	1.5
199.07622	1.1
201.05399	4.5
202.07814	1.3
203.06905	1.7
203.08513	2.1
205.04930	11.1
205.10164	1.4
207.08118	1.1
209.06061	1.8
209.09727	1.5
210.14815	2.3
211.07509	1.3
213.05444	3.3
215.03259	1.6
215.06804	1.1
215.08652	1.5
217.04951	11.2
217.10078	1.6
218.07161	1.2
219.02820	1.4
219.07979	2.2
220.08717	1.4
221.05960	1.0
221.09587	2.4
223.07552	1.6
225.05423	1.7
227.03407	1.0
227.06978	1.2
228.09178	1.1
229.04881	4.6
229.09995	1.3
231.02853	1.4
231.06233	1.1
231.08214	1.5
232.08839	1.5
233.04288	1.4
233.09532	1.6
234.06758	1.1
235.05678	1.4
235.07747	2.0
239.06967	1.3
241.04918	2.7
243.02776	1.0
243.06412	1.7
245.04478	1.4
245.09605	1.9
247.05661	4.2
249.09076	3.6
253.04907	1.6
253.08675	2.1
255.06551	1.8
257.04434	2.1
259.05679	1.6
261.09045	3.4
263.06967	2.5
265.08652	5.2
267.06580	1.3
267.10080	1.0
271.06036	5.2
271.09381	5.5
273.09171	1.8
275.07056	1.6
275.10379	1.0
277.08710	5.9
278.09351	1.0
279.06732	1.2
279.09995	1.6
283.06299	1.8
283.09616	9.3
287.10617	1.1
288.07666	1.0
289.08536	3.9
291.06485	2.1
291.10065	5.4
293.08035	1.3
295.06277	1.4
295.09625	7.0
299.10535	1.1
301.07718	1.4
303.10129	2.9
307.09576	6.2
309.07654	1.6
309.11121	2.0
311.09134	2.4
313.07330	1.2
313.10721	8.8
314.09525	0.9
315.10019	2.0
317.07956	0.9
319.09668	5.9
321.11057	2.7
325.07343	1.1
325.10703	7.0
327.10165	1.2
331.09561	5.7
337.10663	27.1
339.12430	1.4
341.11151	1.0
343.09546	3.7
345.11124	1.5
349.10684	21.5
355.09378	1.9
357.11023	2.7
361.10696	10.9
363.12433	1.5
367.11761	14.2
369.11212	2.2
373.10715	8.5
375.12201	2.0
377.10110	2.0
379.11752	27.0
385.11264	2.7
387.12125	1.9
391.11755	20.7
397.13028	10.9
398.11383	1.0
399.12564	1.3
403.11646	24.0
409.12933	8.9
413.12213	2.4
415.13998	33.3
421.12714	1.6
427.14069	5.8
433.12772	20.4
445.12698	12.2
451.13907	11.6
457.12671	4.7
463.13788	11.9
469.14993	6.2
475.13849	8.0
481.14954	21.1
493.14963	9.4
511.16000	7.3
521.36920	2.0
522.36743	1.4
529.17102	4.9
547.18207	2.2
565.19836	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1906
Annotation	Pinocembrin 7-rhamnosylglucoside
Peak:m/z	Relative Intensity
51.59134	1.7
55.05499	1.8
57.03415	7.2
69.03426	13.8
70.05482	8.1
70.06576	5.1
71.04983	54.1
75.04489	1.8
81.03395	2.5
84.08115	2.7
85.02892	59.6
86.09673	2.6
91.05461	3.7
95.04951	1.8
97.02840	2.2
103.05439	6.1
105.03385	2.3
105.07004	1.7
106.84071	1.7
107.04942	3.9
109.02847	3.3
110.07174	2.3
111.04410	3.9
123.04336	2.8
127.03909	2.5
129.05453	15.4
129.10233	1.6
131.04912	23.3
135.04378	2.6
137.05988	10.5
147.06497	4.1
151.03978	2.4
151.07574	3.5
153.01805	33.7
153.05460	1.8
153.47298	1.6
161.05962	4.2
162.76730	1.6
163.03850	1.8
163.07497	2.3
165.01799	4.9
167.07030	18.3
171.02905	13.4
173.05922	2.6
175.07553	3.0
177.01797	1.9
177.09142	2.0
181.04961	4.1
183.02843	3.7
191.03355	4.5
195.02866	21.6
203.03516	1.6
219.02885	4.8
229.07021	1.7
237.04008	1.8
245.04424	4.1
249.09052	2.2
257.08060	100.0
265.08514	2.3
269.08017	5.9
276.07709	2.0
281.08075	3.4
291.10181	2.8
293.07907	2.1
297.10925	1.8
299.09137	15.4
307.09750	2.2
317.06418	15.0
323.09329	11.6
337.10535	2.1
349.10602	4.3
365.10162	2.1
367.11731	12.3
374.41333	1.8
385.12430	3.4
419.13260	1.8
464.97394	1.7
565.22888	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1685
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95994	0.9
55.01860	2.5
69.03423	0.9
69.54198	5.2
69.54624	3.3
73.77145	0.9
85.02911	1.8
95.01346	1.2
96.42328	0.9
108.04477	1.7
121.02853	4.2
125.02303	0.9
147.04393	1.7
157.96762	0.9
166.05046	1.0
168.06610	1.8
182.06029	1.1
193.65384	1.0
203.03429	1.4
204.06454	1.0
214.45303	1.0
215.08252	1.4
225.10257	2.8
227.08098	3.0
229.09663	1.4
230.10556	1.0
237.10237	1.8
239.08186	2.0
241.09698	4.2
243.07666	2.3
243.44099	1.1
244.08337	1.3
251.08095	1.5
253.09644	3.3
255.07729	1.6
263.10205	1.8
265.09808	2.3
267.07816	1.4
267.11246	2.8
269.09283	5.1
271.10742	1.7
281.09216	3.6
283.10999	1.3
285.08807	1.1
287.10141	1.8
293.09076	1.6
294.10196	1.2
295.05960	5.5
295.10846	1.5
297.08701	4.2
299.10342	2.7
307.05957	3.7
309.07693	1.2
311.10278	4.0
313.11923	2.2
314.68613	1.2
315.09680	7.9
321.07770	3.0
325.07175	5.1
325.11594	1.8
335.09390	1.8
337.07230	2.7
339.09708	2.3
343.09299	3.2
349.07178	3.2
351.09006	2.9
353.11276	1.8
355.08517	1.5
357.10931	2.1
361.07330	2.1
363.08853	1.9
367.08307	1.3
369.10684	1.5
371.12448	8.8
373.07562	1.4
375.12112	2.0
379.08078	5.9
381.10760	3.1
391.08142	4.1
393.10687	1.2
397.09454	2.5
405.09848	1.1
407.12445	1.2
409.09546	5.6
415.10370	1.5
423.12097	1.7
427.10513	6.3
433.10431	1.2
441.12967	2.0
451.10724	2.2
457.11066	1.9
469.12030	4.7
474.31146	1.3
481.11200	2.2
487.13345	4.1
493.11145	2.0
497.12021	2.4
498.28510	1.3
499.12360	1.8
505.14468	1.4
511.12210	4.6
515.12878	2.7
529.13867	5.0
533.13916	9.2
547.15448	17.0
548.15076	1.1
565.16589	100.0
566.16882	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	565.1547
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	7.8
55.38429	2.1
61.02918	5.4
69.03428	20.9
69.41789	18.2
69.42206	10.2
81.03420	2.3
88.01694	2.3
91.05516	2.5
93.03407	2.7
107.04950	4.2
115.05425	2.7
119.04953	2.6
121.02874	4.2
135.04370	15.0
137.02339	41.6
137.03383	4.1
159.04391	4.1
161.02321	7.7
163.03908	2.7
175.03947	2.9
179.03337	4.1
187.03937	3.0
189.01868	11.0
191.03369	7.6
195.02875	8.7
203.03346	20.9
207.02863	9.0
215.03445	5.9
217.04984	11.1
219.02898	4.8
221.04416	6.8
227.03316	3.0
229.05067	3.2
231.02884	3.6
233.04453	3.6
239.03358	2.5
241.05011	2.9
243.02875	5.3
245.04550	4.0
284.06793	6.6
295.06003	5.0
296.06931	5.2
297.07861	2.4
299.05505	7.5
307.06033	4.5
308.06790	3.7
309.07574	5.1
310.04669	18.0
311.01834	3.1
311.05493	62.1
311.08725	2.7
312.06094	6.3
313.07086	7.6
321.07495	3.7
322.08453	4.7
323.05481	42.6
323.08975	4.2
324.06238	25.4
325.07184	17.6
329.06552	4.5
333.07556	4.4
335.05396	6.5
336.06274	9.6
337.07037	43.1
338.07761	6.6
339.04868	4.7
339.08597	8.4
341.06543	64.2
345.07501	6.9
349.07126	19.6
350.08069	5.8
351.04785	4.8
351.08545	22.0
352.05731	3.2
353.06485	59.1
353.10577	4.2
354.06790	4.6
355.07877	6.0
361.07022	17.3
363.08542	11.3
365.06558	36.9
367.08008	21.4
371.07626	11.1
375.08615	3.4
377.06363	15.1
379.08047	26.8
383.07574	9.9
389.06357	12.5
391.08066	17.6
395.07584	57.3
403.08011	8.3
407.07581	55.6
409.09106	24.9
419.07370	4.9
421.09296	13.9
425.08655	85.6
427.10233	35.7
429.09738	6.1
431.07547	4.3
433.09149	3.4
436.06451	2.7
437.08328	3.6
439.10196	6.8
443.09729	52.3
449.08640	9.5
457.11469	13.2
463.09921	11.5
475.10568	18.9
481.11221	25.5
493.11365	30.0
499.12277	25.8
511.12354	100.0
512.13123	4.5
529.13470	47.3
547.14502	15.0
565.15613	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	565.1543
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	4.3
57.03421	3.1
69.39823	31.2
69.40161	5.8
81.03413	2.9
81.99654	2.4
85.02911	3.4
85.52105	2.8
93.03410	3.0
107.04922	3.4
107.89412	2.8
108.65967	2.4
112.65139	2.7
119.04920	13.3
121.02853	44.7
145.02777	6.6
156.00331	2.8
159.04523	3.0
179.03398	3.3
189.01843	10.4
191.03326	7.8
195.02928	11.1
196.05441	2.6
203.03299	15.4
207.02832	9.4
212.58504	2.8
215.03342	7.4
217.04950	6.4
219.02815	3.4
221.04439	6.1
229.04939	6.3
243.02885	3.1
267.06714	3.5
268.07187	4.5
271.05850	4.1
279.06622	4.1
281.08087	4.1
283.06070	12.3
293.08112	5.3
294.05234	22.0
295.05991	87.4
296.06671	8.0
297.07501	10.5
305.08148	3.4
307.05978	57.3
308.06689	20.9
309.07449	17.1
313.07196	6.6
317.08105	5.0
319.05927	5.4
320.06812	5.7
321.07526	39.7
322.08316	11.9
323.08963	7.1
325.07007	79.4
329.08212	3.3
333.07465	22.4
335.05362	3.7
335.09009	9.4
337.06989	54.8
337.25677	2.9
339.08609	3.5
345.07733	4.8
347.09100	16.9
349.07062	50.9
350.07629	5.1
351.08640	23.9
355.08069	12.7
361.06931	21.2
363.08472	14.7
365.10077	8.9
367.08118	11.3
373.06992	7.9
375.08585	13.3
379.08069	100.0
385.07523	2.9
387.08633	7.5
391.08102	33.8
397.09167	74.7
401.10324	5.0
403.08081	16.5
405.09494	7.9
409.09177	56.9
415.10193	26.2
417.10364	2.8
419.11530	3.5
421.09164	22.8
427.10248	43.3
433.09000	22.6
439.10211	27.3
445.11142	38.4
451.10260	48.2
457.11279	38.0
463.10226	7.5
469.11316	60.0
475.10175	21.5
481.11215	40.4
493.11276	44.8
499.12225	31.1
511.12372	56.0
529.13379	58.4
547.14429	20.9
565.15942	3.0
582.13025	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	2.3
60.66336	1.6
61.02931	1.8
61.60647	1.6
69.03425	25.9
69.48620	17.6
82.90298	1.5
107.04965	3.0
135.04408	6.6
137.02316	21.4
161.02301	4.5
173.05978	1.7
177.01723	1.7
179.03424	3.1
186.27837	1.6
189.01871	6.2
195.02852	2.9
203.03384	8.7
207.02904	6.1
207.06905	1.6
215.03290	3.6
217.04939	3.8
217.34929	1.5
219.02835	3.3
221.04370	3.1
229.04964	3.4
231.06534	2.0
233.04361	2.0
237.15213	1.9
241.04951	3.1
257.04483	3.5
267.06525	1.9
283.05954	2.8
284.06799	2.5
287.05768	2.2
295.06033	2.9
297.07510	2.1
299.05283	2.6
308.06873	2.4
310.04684	17.8
311.05460	26.5
312.06110	3.3
313.06851	2.7
321.07748	2.5
323.05490	35.9
324.06302	10.2
325.07004	8.0
329.06558	3.3
335.05426	4.8
336.06332	5.0
337.07004	19.0
338.07590	4.1
339.08719	3.4
341.06528	19.9
347.09079	2.8
349.07297	8.7
350.07898	2.4
351.08661	8.8
352.05615	4.1
353.06534	42.5
353.10568	3.1
355.08017	3.0
359.08984	4.7
361.07092	3.4
363.08591	7.8
365.06519	17.1
367.08182	12.8
371.07535	4.7
375.08688	9.1
377.06400	7.1
378.07343	2.8
379.08151	10.8
383.07660	7.0
389.10623	2.2
391.08115	18.2
393.09653	5.9
395.07614	36.6
397.09079	2.8
401.10339	2.5
403.08163	18.2
405.09900	3.8
407.07510	15.4
409.09186	5.6
413.08643	9.2
414.09293	2.4
417.09769	4.3
419.07788	3.7
421.09134	35.9
425.08716	16.6
427.09930	2.4
433.09171	6.7
439.10233	36.7
443.09750	22.1
445.09024	9.6
447.11050	2.8
449.08688	10.8
451.09921	3.6
457.11218	12.4
461.10760	18.7
463.10138	9.1
467.09741	26.8
475.10217	15.4
485.10800	32.0
493.11270	25.7
511.12372	100.0
512.12549	2.8
529.13397	69.6
530.13654	3.0
547.14294	15.4
565.15460	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	565.1546
Annotation	6-C-Xylopyranosyl-8-C-galactopyranosylapigenin
Peak:m/z	Relative Intensity
55.01864	4.9
61.02913	3.1
64.80466	2.5
69.03412	19.9
69.44462	25.7
79.86991	2.6
94.42661	2.2
107.04948	2.4
113.37156	2.4
121.02785	3.6
135.04382	12.3
137.02333	34.4
137.03369	4.9
159.11662	2.3
161.02321	6.6
163.03836	3.9
171.04338	3.0
179.03384	5.5
187.03909	4.4
189.01797	10.0
191.03348	6.5
195.02890	7.9
199.03896	3.3
203.03381	18.3
205.04939	4.2
207.02887	9.5
215.03345	5.1
217.04909	6.4
219.02831	5.4
221.04436	5.7
229.04944	4.6
233.04366	3.2
245.04495	6.0
255.02969	2.7
256.35260	2.4
283.05792	4.8
295.06073	6.9
297.07483	3.8
299.05490	6.0
307.05838	3.5
308.06674	5.3
309.07462	5.7
310.04633	13.9
311.05460	49.6
311.08939	2.6
312.06131	6.0
313.07040	11.0
321.07504	5.7
322.08481	4.4
323.05438	46.4
323.08859	3.5
324.06281	17.0
325.06970	20.4
335.05499	8.5
336.06073	12.8
337.07010	50.6
338.07864	6.1
339.08542	8.4
341.06546	66.0
345.07758	4.2
346.08200	3.2
349.06982	21.8
350.07733	5.9
351.04694	5.4
351.08502	21.7
352.05786	4.6
353.06512	47.1
361.06992	18.8
363.08560	7.3
365.06494	32.9
365.10538	3.8
367.08029	31.4
371.07556	9.2
375.08682	3.7
377.06546	21.6
379.08109	38.5
381.09973	3.4
383.07565	6.6
389.06439	13.1
391.08191	17.5
395.07608	49.0
407.07516	63.5
409.09116	26.6
419.07458	5.1
421.09021	10.7
425.08682	95.4
427.10208	35.7
429.09964	4.0
431.07199	4.5
435.10815	3.9
437.08286	3.9
439.10217	3.6
443.09674	63.9
445.10709	2.8
447.10492	3.3
449.08527	9.2
457.10898	9.6
463.10019	15.2
475.10403	20.0
481.11234	47.0
493.11279	24.2
499.12277	41.7
511.04688	4.8
511.12329	100.0
529.05865	3.9
529.13379	48.9
547.14539	19.8
565.15399	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	565.1546
Annotation	Isomollupentin 2''-O-glucoside
Peak:m/z	Relative Intensity
54.77045	2.7
55.01863	7.3
57.03421	4.1
61.02914	2.1
71.08091	5.3
71.08432	2.3
75.88441	2.4
85.02879	6.2
103.17313	2.0
107.04939	2.5
109.02853	2.9
119.04906	14.2
121.02850	55.7
136.85936	2.4
145.02875	6.1
147.04443	2.1
161.02327	3.2
163.03923	3.1
175.03792	4.7
177.01851	2.7
177.05345	2.8
177.90430	2.1
179.03485	4.8
187.03944	3.2
189.01782	11.5
191.03415	4.8
195.02879	12.0
197.06029	2.3
199.03838	3.6
201.01746	2.5
203.03369	20.7
205.04912	5.9
207.02838	12.3
215.03401	8.0
217.04942	7.9
219.02861	8.8
221.04492	6.2
225.03952	3.2
229.04944	6.1
231.02803	3.0
231.06439	2.5
233.04424	4.0
241.04999	3.1
243.02876	6.3
245.04413	3.8
255.02887	4.9
268.07175	5.4
279.06479	6.2
280.07397	3.2
281.08072	4.8
283.05972	11.1
284.06772	3.4
285.03763	2.3
290.95422	2.3
291.06509	4.2
293.08072	4.5
294.05203	27.1
295.05994	100.0
295.09216	3.9
296.06674	9.1
297.04626	2.7
297.07416	13.6
305.07956	3.5
307.05975	69.5
308.06732	23.3
309.07468	25.0
313.06989	5.8
317.07990	5.5
319.05957	11.6
320.06744	5.4
321.07526	51.9
322.04889	3.4
322.08331	13.0
323.09100	9.7
325.06995	81.6
325.10837	4.7
329.08237	2.5
333.07553	27.3
334.08307	4.1
335.05466	3.3
335.09015	18.1
336.06189	8.0
337.07028	62.6
339.08707	3.2
345.07526	7.0
346.08463	2.4
347.09225	12.8
349.07010	53.7
349.11160	3.1
351.08545	28.7
355.08176	10.4
357.07571	2.9
359.09024	4.5
361.06964	24.3
363.08319	12.9
365.10153	9.7
367.08035	8.3
371.09274	2.5
373.06927	11.0
374.08215	3.2
375.08704	11.5
377.10059	3.2
379.08078	92.5
387.08401	6.0
389.10223	5.3
391.08044	35.0
393.09497	2.9
397.09164	64.7
398.09454	4.6
401.10110	3.9
403.08063	20.3
405.09686	8.1
409.09140	50.9
410.08820	2.7
414.07675	2.7
415.10330	24.7
417.09421	3.8
421.09286	19.3
427.10278	43.1
428.10583	3.2
433.09003	17.7
439.10175	19.3
445.11267	31.2
451.10172	34.2
457.11255	39.0
463.10156	4.8
469.11343	43.9
470.11639	2.9
475.09924	10.8
481.11322	41.9
493.11255	36.2
499.12390	36.2
511.12347	55.8
512.13269	2.9
529.13397	59.5
547.14465	27.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1547
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	6.2
57.03434	2.3
61.02919	2.1
65.20600	2.1
66.84599	2.2
68.77587	2.1
71.06641	6.2
84.24394	2.0
85.02886	5.7
93.03426	2.1
103.03906	2.7
105.03368	1.9
107.04941	5.3
115.73810	2.2
119.04945	12.5
121.02861	59.5
121.03777	3.5
145.02859	8.7
147.04419	2.0
155.68155	2.1
159.04390	3.0
161.02318	2.6
163.03850	2.8
175.35269	2.5
177.01787	6.1
179.03394	4.9
187.03864	3.2
189.01822	10.7
189.05490	3.4
191.03397	7.1
195.02908	11.7
199.03905	3.3
201.01839	3.3
203.03389	19.4
205.04823	2.4
207.02948	8.9
211.03773	2.4
215.03441	8.3
217.04935	10.7
219.02884	5.0
221.04446	5.7
227.03474	4.6
229.04933	2.5
231.02962	2.5
233.04449	4.2
243.02928	4.9
245.04366	3.7
255.02832	3.8
261.04129	2.6
267.06516	5.2
268.07309	5.9
273.03970	3.4
279.06503	6.4
281.04483	2.7
281.08090	8.3
283.06052	6.6
293.08066	5.0
294.05185	20.6
295.05994	77.2
296.06631	9.7
297.07535	7.9
305.07947	4.4
307.05997	60.2
307.09207	2.2
308.06775	17.9
309.04276	3.8
309.07489	22.7
313.06946	2.5
317.08102	3.7
319.05963	9.4
320.06778	8.8
321.03751	3.6
321.07516	54.5
322.08282	10.8
323.05701	4.4
323.09210	8.3
325.07022	69.9
329.07980	4.0
333.07596	22.1
334.08340	4.3
335.09116	22.1
336.06146	5.1
337.07047	64.2
338.07117	2.3
339.08713	7.1
345.07587	12.4
347.09146	6.9
349.07071	51.4
349.11288	4.2
351.08588	28.3
355.08206	9.4
359.09134	4.0
361.07028	26.4
361.11002	3.7
363.08560	19.6
365.10272	2.9
367.08139	10.4
373.06891	12.2
375.08890	10.3
379.08075	76.2
387.08502	6.4
391.08081	57.8
393.09714	2.8
397.09183	19.6
399.08289	3.3
401.10342	4.1
403.07956	13.6
409.09155	100.0
415.08737	7.8
417.09943	4.3
419.11563	2.3
421.09470	11.0
427.10223	99.8
429.09622	3.2
433.09146	20.5
439.10153	8.1
445.10001	13.8
451.10388	17.1
457.11215	16.3
463.10315	7.7
469.11230	15.2
475.10510	13.4
481.11255	36.1
493.11206	25.4
499.12500	23.6
511.12311	83.6
529.13464	35.7
547.14606	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	564.3373
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	7.4
55.01861	8.9
55.05502	28.7
57.03430	17.0
57.84010	4.4
61.02926	6.2
65.03930	6.0
67.05499	81.3
69.03422	13.2
69.07045	32.0
70.85876	16.9
71.04978	8.4
79.05479	70.2
81.03396	19.5
81.07047	100.0
83.04974	11.8
83.08608	16.8
85.02898	19.2
91.05465	55.6
91.64776	5.0
93.07037	62.4
95.04967	16.7
95.08603	32.5
97.02873	15.0
97.06528	22.2
97.10159	12.7
99.04459	7.4
99.08063	5.0
103.03922	9.9
105.07034	34.7
107.04940	14.5
107.08600	37.9
109.02899	9.6
109.06503	20.4
109.10142	13.4
111.08082	4.8
117.07001	20.6
119.08577	32.6
121.10152	15.3
123.08034	8.1
123.11694	8.0
125.09561	5.7
127.03910	22.7
129.07022	8.9
131.08531	28.5
133.10121	29.1
135.08026	10.1
135.11684	32.2
143.08560	7.8
145.10115	20.7
147.11685	17.8
149.09631	9.2
149.13211	22.8
159.11707	23.9
161.13220	6.0
163.11179	14.9
165.12807	6.5
169.10156	8.3
173.13263	8.9
177.12770	18.1
179.14340	9.1
181.12244	15.2
185.13210	5.4
189.11223	9.3
195.13782	17.4
201.07675	4.8
255.15784	26.2
257.19083	13.3
269.17474	57.1
275.20013	52.2
293.21115	6.8
303.16000	6.0
303.21951	5.8
321.17114	8.3
339.18060	17.8
346.89645	5.2
349.23743	50.1
367.24820	21.2
419.24380	8.0
558.11292	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.3372
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	4.3
55.01863	5.7
55.05506	18.4
55.70804	1.7
57.03433	4.6
61.02916	4.4
62.97457	1.9
63.06813	1.7
67.05496	33.3
68.15813	1.7
69.03411	4.6
69.07056	17.6
71.04963	2.6
71.39499	2.3
78.28596	2.0
79.05488	30.4
81.03416	8.0
81.07051	89.0
83.04958	6.4
83.08612	14.8
85.02875	4.8
85.06516	3.4
91.05471	30.5
93.07039	26.2
95.04961	11.4
95.08599	22.2
97.02880	2.3
97.06527	9.3
105.07024	26.3
107.04948	10.3
107.08580	20.8
109.02859	2.5
109.06505	35.6
109.09496	2.0
109.10149	8.7
111.08068	4.7
117.06999	7.7
119.08571	26.2
121.06513	5.3
121.10130	15.5
123.08055	9.3
123.11681	6.8
125.09595	1.9
127.03903	6.5
129.06990	3.6
131.08534	14.3
133.06519	2.3
133.10121	18.5
135.08047	7.0
135.11685	8.1
137.09596	5.8
143.08568	2.3
145.10149	11.8
147.08002	3.0
147.11690	22.1
149.09572	7.9
149.13271	6.3
151.11171	2.2
157.10118	6.3
159.11658	7.4
161.09627	2.5
161.13258	4.1
163.11140	7.0
163.14658	1.7
165.12737	6.0
169.10074	1.9
171.11644	3.3
173.09637	2.1
173.13248	3.6
175.11176	3.3
177.12675	2.1
179.14336	2.1
183.11824	1.9
187.11028	2.2
197.31053	2.0
201.12729	2.0
229.19536	3.3
239.17906	4.5
247.20569	6.1
257.19049	6.0
275.20029	77.6
276.20398	2.0
293.21100	21.6
331.51846	1.8
349.23709	100.0
367.24750	69.3
401.23389	5.9
419.24191	15.5
437.25275	9.5
520.38525	2.0
552.97253	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.3375
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	8.2
55.01871	10.7
55.05506	47.5
57.03418	16.2
57.36131	3.7
61.02913	9.2
64.05409	4.2
65.03939	7.5
67.05492	60.2
69.03410	16.7
69.07063	29.3
70.06580	7.1
71.04980	17.2
71.73022	6.2
75.09298	3.8
79.05489	56.9
81.03405	16.6
81.07052	78.2
83.04977	19.8
83.08611	33.9
85.02908	25.5
85.06507	6.6
89.06006	16.7
91.05464	49.9
93.07027	60.7
95.04951	72.2
95.08595	38.9
97.02885	11.0
97.06516	17.0
97.10156	14.4
99.04424	5.3
99.08078	7.0
105.07008	49.9
107.04942	16.1
107.08594	44.0
109.06520	12.1
109.10135	19.6
110.10451	4.6
111.04430	9.8
111.08060	7.3
117.07018	21.9
119.08572	36.8
121.02787	4.9
121.06499	13.3
121.10118	20.2
121.36591	3.9
123.08016	9.2
125.09612	16.6
127.03912	10.3
129.07004	6.1
131.04922	4.2
131.08557	31.9
133.08562	10.0
133.10115	33.1
135.08052	10.4
135.11681	18.7
137.09593	7.9
145.05086	4.3
145.10095	25.9
147.11646	15.0
149.09592	34.4
149.13240	10.9
151.11203	7.0
157.10181	9.2
157.99008	4.2
159.11697	17.3
159.96866	7.4
161.13228	7.2
163.11172	33.7
165.12651	4.7
169.10101	7.2
171.11708	9.9
173.13205	5.8
177.11308	4.6
177.12732	9.2
181.12253	4.0
183.11839	5.2
189.11221	16.3
191.14320	4.8
195.13741	6.2
199.99997	5.9
205.12216	7.0
223.13239	46.7
229.19403	5.6
239.17911	5.0
255.15862	12.6
257.18991	11.1
269.17426	36.7
275.20053	90.4
276.20303	8.1
282.11487	7.3
293.21036	48.5
295.05984	8.1
311.70306	4.3
344.44141	4.8
349.23749	47.7
353.06744	4.8
365.58417	4.4
367.24817	100.0
379.08063	6.5
383.06955	5.1
392.18741	17.8
410.19794	36.8
411.19037	4.6
427.10416	4.5
437.25363	9.5
452.86493	4.6
493.11212	5.0
521.19537	5.4
564.33453	5.8
565.18860	6.0
578.02417	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	564.3374
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87864	6.5
55.01867	14.2
55.05503	44.0
57.03424	24.9
61.02920	11.0
66.25832	7.7
67.05495	100.0
69.03420	21.0
69.07051	49.1
70.06564	16.0
70.17638	19.4
70.18061	13.6
71.04973	16.9
72.08164	8.7
79.05478	72.8
81.03418	37.1
81.07043	98.0
83.04972	15.0
83.08613	25.4
84.08129	8.6
85.02895	30.7
85.06531	10.2
86.09689	7.0
89.05994	32.7
91.05476	69.7
92.96798	6.1
93.07030	86.5
95.04956	43.6
95.08605	41.6
97.02918	7.1
97.06516	19.4
97.10165	14.9
98.20848	8.2
99.04422	7.8
101.96728	6.5
102.10846	6.4
105.07016	62.4
107.04871	14.4
107.08597	48.8
109.02837	11.9
109.06490	18.2
109.10130	25.4
111.04425	6.9
111.08058	7.6
117.07016	26.5
119.04958	7.9
119.08551	57.3
121.06516	11.4
121.10117	35.8
123.08088	10.4
125.09550	8.3
127.03889	20.5
129.07010	16.5
131.08566	43.3
133.08589	11.1
133.10114	47.6
135.08017	14.3
135.11653	38.2
143.08488	12.5
145.10100	41.2
147.11679	28.7
149.09598	24.3
149.13251	18.5
151.11131	8.9
155.08499	9.6
157.10080	19.4
159.11667	37.9
163.11150	25.0
165.12807	11.4
169.10042	8.1
171.11655	12.3
173.09656	8.2
173.13232	10.2
177.11243	8.8
177.12685	11.1
178.03253	7.1
181.12218	12.6
195.13857	15.8
223.13261	14.8
235.16835	7.1
240.27229	6.8
243.02568	7.0
255.15828	44.5
257.18866	19.5
269.17410	51.4
275.20032	73.0
293.21115	15.8
298.07843	8.5
321.07602	8.1
337.07211	8.9
339.17981	14.0
349.23694	47.2
367.24805	89.5
415.31656	7.8
419.24194	16.2
563.63092	7.1
564.34509	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	564.3375
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92402	1.8
53.03915	4.0
54.19846	1.8
55.01863	6.0
55.05511	24.3
57.03440	2.2
61.02917	3.5
65.00549	2.1
65.03923	2.1
67.05500	35.6
69.03402	4.8
69.07068	13.6
69.20914	2.0
69.95389	12.8
70.59785	1.8
71.04980	3.2
73.02893	2.3
79.05483	26.3
81.03399	8.2
81.06612	2.7
81.07050	36.5
83.04951	8.2
83.08622	22.0
85.02889	7.5
85.06517	2.6
91.05476	34.9
93.07040	28.9
95.04961	15.6
95.08593	22.3
97.02866	4.8
97.06503	6.5
97.10162	3.9
98.12601	2.0
105.07020	35.0
107.04939	12.9
107.08583	22.1
109.02852	2.8
109.06501	8.3
109.10155	17.3
111.08063	6.3
112.71154	1.8
117.07017	11.2
119.08564	30.5
121.06458	5.6
121.10113	18.7
123.08096	5.1
123.11674	4.8
125.09556	4.3
127.03883	9.2
129.06992	3.2
131.08548	16.7
133.06465	2.6
133.10120	29.7
135.08043	6.5
135.11670	8.9
137.09608	4.9
139.08919	1.9
139.11122	3.4
143.08522	3.4
145.06322	2.1
145.10100	26.1
147.07973	3.2
147.11649	11.8
149.09607	25.1
149.13297	2.7
151.11160	7.2
152.18811	2.3
155.08539	3.7
157.06441	2.0
157.10123	4.2
159.08084	2.2
159.11658	13.4
161.09584	3.1
161.13222	6.3
163.11160	22.6
165.12660	5.4
169.10106	4.4
170.42462	2.1
171.11670	2.2
173.09616	3.3
173.13199	5.0
175.11139	3.4
177.12744	3.4
183.11639	4.6
184.07390	2.3
196.98741	2.5
197.13277	4.3
201.12721	2.9
215.18016	2.5
220.61493	2.0
223.13280	4.4
229.19548	4.5
239.17899	7.1
247.20486	4.3
257.19016	14.1
275.20053	100.0
293.21167	12.1
295.05884	2.5
313.07504	2.0
349.19583	3.4
349.23734	47.4
358.23495	2.4
367.24753	88.2
379.08020	3.2
401.23447	3.2
419.24347	7.7
427.10550	2.2
437.25146	6.2
511.11758	2.8
513.14624	2.3
529.13562	3.0
529.32251	1.9
565.26270	3.5
581.97479	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	564.1491
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14451	1.6
53.03922	1.7
56.05034	2.5
58.56466	1.7
58.99573	26.3
60.04515	2.7
64.62040	1.7
68.28632	1.6
71.74922	2.6
76.02219	100.0
76.03993	3.6
81.03419	12.7
83.04961	3.0
83.06096	2.5
84.04501	20.9
85.02882	12.5
86.99036	6.6
88.02193	3.6
95.01303	8.6
95.04947	3.3
102.05587	3.1
106.37817	1.9
107.04919	3.6
108.27805	1.7
109.02863	32.9
111.04413	3.3
112.05055	4.9
115.71858	1.9
116.01657	30.3
116.02430	2.4
119.05004	2.5
121.02850	3.1
121.06435	1.6
123.04395	2.6
127.03905	6.7
129.06601	3.8
130.05003	4.3
137.05994	3.3
139.03856	3.7
141.01767	2.7
142.03194	3.6
144.01115	16.4
145.00630	1.6
147.04338	3.8
149.05959	3.2
151.03896	3.5
162.02185	47.2
165.05464	3.1
166.90036	1.9
177.03969	2.6
177.05423	4.1
179.04831	94.8
183.06532	4.4
187.05315	5.1
193.05016	2.7
195.06377	1.7
211.06027	5.4
229.06973	4.4
233.05939	9.8
239.05502	8.0
242.04898	4.2
245.05864	2.6
257.06509	41.9
259.07382	6.5
291.06418	2.6
308.09048	9.6
315.05441	2.2
332.08011	14.6
337.58340	2.4
418.07962	5.8
435.10571	17.9
489.11935	12.3
501.12311	2.2
564.14624	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	563.3938
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	2.0
54.81824	1.4
55.05504	13.4
57.03439	7.8
65.03946	2.3
67.05495	44.8
69.03403	1.4
69.07046	14.0
71.04975	4.3
71.76295	1.7
72.50404	1.6
76.33311	1.6
79.05476	27.5
81.03423	1.7
81.07047	73.9
83.04959	3.8
83.08611	9.5
85.06543	4.2
91.05464	22.5
93.07040	24.5
95.04960	3.6
95.08602	33.3
97.06512	3.8
97.10123	2.9
98.98462	3.6
99.08071	2.6
105.07024	25.4
107.08581	19.4
109.06487	2.5
109.10155	14.9
111.08054	2.1
113.90856	1.7
117.06987	4.8
117.85339	1.6
119.08582	19.8
121.10125	19.1
123.08014	2.7
123.11681	17.1
129.07048	2.6
131.08539	7.5
133.10112	7.4
135.11690	9.4
137.13260	3.5
139.11108	1.6
145.10095	6.2
147.10567	2.8
147.11670	35.2
149.13252	5.0
155.01009	3.5
157.10165	2.7
159.11639	4.6
161.13203	2.6
163.14827	3.3
165.12749	14.5
173.13301	2.5
175.11137	1.7
183.13795	3.1
229.14299	4.2
243.21106	4.4
261.22156	21.9
267.15909	21.9
279.22971	2.1
285.16904	25.3
317.24896	5.2
335.25769	24.1
339.28888	3.6
353.26840	3.5
453.33398	2.7
527.37189	3.7
545.38147	15.8
563.35394	100.0
564.35803	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	563.3938
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	2.0
54.81824	1.4
55.05504	13.4
57.03439	7.8
65.03946	2.3
67.05495	44.8
69.03403	1.4
69.07046	14.0
71.04975	4.3
71.76295	1.7
72.50404	1.6
76.33311	1.6
79.05476	27.5
81.03423	1.7
81.07047	73.9
83.04959	3.8
83.08611	9.5
85.06543	4.2
91.05464	22.5
93.07040	24.5
95.04960	3.6
95.08602	33.3
97.06512	3.8
97.10123	2.9
98.98462	3.6
99.08071	2.6
105.07024	25.4
107.08581	19.4
109.06487	2.5
109.10155	14.9
111.08054	2.1
113.90856	1.7
117.06987	4.8
117.85339	1.6
119.08582	19.8
121.10125	19.1
123.08014	2.7
123.11681	17.1
129.07048	2.6
131.08539	7.5
133.10112	7.4
135.11690	9.4
137.13260	3.5
139.11108	1.6
145.10095	6.2
147.10567	2.8
147.11670	35.2
149.13252	5.0
155.01009	3.5
157.10165	2.7
159.11639	4.6
161.13203	2.6
163.14827	3.3
165.12749	14.5
173.13301	2.5
175.11137	1.7
183.13795	3.1
229.14299	4.2
243.21106	4.4
261.22156	21.9
267.15909	21.9
279.22971	2.1
285.16904	25.3
317.24896	5.2
335.25769	24.1
339.28888	3.6
353.26840	3.5
453.33398	2.7
527.37189	3.7
545.38147	15.8
563.35394	100.0
564.35803	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	563.3935
Annotation	Unknow
Peak:m/z	Relative Intensity
54.57813	2.8
55.01847	4.1
55.05497	19.0
57.03418	8.6
57.07056	3.9
59.44191	2.5
65.30505	2.3
67.05499	60.2
68.41622	2.5
69.03417	5.0
69.07064	19.9
71.08614	3.4
79.05482	39.2
81.03416	2.6
81.07048	100.0
82.07370	3.1
83.04964	9.8
83.08592	11.9
85.06529	4.8
89.76774	2.6
91.05470	38.5
93.06435	2.9
93.07036	50.2
95.04941	5.1
95.08591	52.8
97.06507	14.7
99.04472	2.8
99.08090	3.2
105.07010	41.8
107.08578	28.1
109.10146	27.8
111.08027	4.7
113.09609	6.2
117.06981	7.7
119.08564	41.2
121.10111	33.6
122.29528	2.9
123.08035	6.5
123.11689	23.1
125.09578	5.1
128.06238	3.3
129.07010	6.0
131.08592	17.7
133.10097	19.2
135.11673	15.9
139.11136	6.5
142.07748	4.9
143.08545	9.5
145.10112	17.4
147.11681	45.4
149.13219	8.5
151.11090	3.1
153.06915	3.3
155.08546	4.0
155.10675	4.4
156.09308	3.8
157.10066	13.3
159.11696	9.5
161.13252	8.0
162.29857	2.2
163.14836	3.6
165.12755	19.7
167.08504	5.4
169.10123	8.9
171.11676	6.3
173.13278	8.4
175.11206	3.3
181.10208	3.6
181.12207	3.5
183.11620	4.1
185.13173	3.8
187.14888	5.4
193.10066	6.0
195.11742	3.6
195.13663	2.5
197.13205	6.3
199.14804	3.6
206.10849	2.9
207.11755	6.6
209.13287	3.3
210.78014	2.8
220.12244	2.7
221.13255	5.1
223.14832	2.9
229.14195	7.6
229.84920	3.2
235.14799	5.7
243.21065	3.6
261.16391	2.8
261.22095	23.7
267.15869	26.0
277.21783	4.2
279.23068	4.9
285.16891	28.2
317.24673	5.7
335.25812	29.1
381.31854	3.0
395.27499	3.6
453.33273	4.5
471.34497	4.9
478.48621	2.7
527.37323	5.9
545.38037	18.2
563.39087	40.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.288
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74304	2.1
53.03940	9.5
55.01866	19.5
55.05506	27.2
57.03431	20.9
57.07064	10.5
64.72380	2.7
65.03913	5.8
67.05497	100.0
69.03421	35.4
69.07057	32.1
71.04984	8.9
71.08612	5.6
71.49194	6.0
73.02911	40.7
79.05476	36.0
81.03413	26.7
81.07048	90.5
82.07343	2.6
83.04961	14.4
83.08606	26.2
85.02896	30.4
85.06543	6.3
85.10191	3.0
91.05463	34.9
92.21925	2.3
93.07035	37.4
95.04961	6.1
95.08598	82.8
97.02872	16.0
97.06512	9.8
97.10156	13.8
99.04432	18.8
100.70030	2.5
105.07028	27.2
105.17803	2.8
107.04934	3.0
107.08580	29.6
109.02868	54.2
109.06524	3.8
109.10136	37.2
110.03640	8.0
111.04427	46.4
111.08061	4.3
111.11693	4.0
117.06967	2.9
119.08556	20.1
121.10142	24.6
123.08060	4.2
123.11698	18.6
125.09625	2.7
127.03897	27.2
129.07007	4.6
131.08546	10.8
132.99551	17.0
133.10110	17.1
135.11685	16.5
137.09573	3.3
137.13237	10.1
139.11145	3.4
143.08539	4.1
145.10112	9.6
147.11674	15.6
149.13243	11.4
151.00592	7.5
151.11133	3.2
151.14801	5.6
157.10097	3.6
159.11723	5.6
161.13232	9.7
163.11198	3.3
163.14848	6.9
165.12756	3.9
165.16312	2.6
172.99033	3.4
173.13220	3.8
175.11186	2.7
175.14832	7.8
177.16464	3.5
179.14296	3.7
187.14795	3.4
189.16370	4.2
191.00099	24.3
207.17422	3.0
209.01152	8.4
226.10913	4.2
245.22626	16.8
261.22086	4.6
263.23700	35.3
287.23691	2.7
317.24747	4.0
335.25784	2.9
337.27374	27.3
366.25586	2.6
453.33133	2.7
479.85342	2.9
516.93365	2.8
527.37531	4.3
545.37946	8.8
563.28650	47.8
563.36200	13.4
564.35797	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	563.1754
Annotation	Chrysin 7-rutinoside
Peak:m/z	Relative Intensity
55.05506	0.1
57.03425	0.8
67.01849	0.2
68.99799	0.3
69.00611	0.1
70.06569	0.2
71.04984	3.9
71.40763	0.2
71.41091	0.1
71.83550	0.1
75.04453	0.3
76.55968	0.1
83.04980	0.2
85.02898	4.8
86.09679	0.1
86.18020	0.1
103.05462	0.4
105.03371	0.3
111.04449	0.1
129.03343	0.4
129.05473	1.1
137.05898	0.1
147.04376	0.3
147.06526	0.2
153.01813	2.4
171.02870	0.4
171.04266	0.1
174.57281	0.1
187.07533	0.2
209.05942	0.4
231.06599	0.3
255.06487	100.0
256.06882	1.7
267.06439	0.4
293.07919	0.1
297.07529	0.4
307.09531	0.1
321.07492	0.2
351.08554	0.3
381.09534	0.2
399.10730	0.2
402.57306	0.1
417.11746	9.6
418.12262	0.3
457.92044	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2882
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	12.2
55.01871	29.4
55.05511	28.0
55.85823	4.4
57.03424	23.3
57.07059	8.6
59.88592	3.6
61.02925	6.3
67.05499	87.6
69.03427	52.7
69.07065	28.0
69.44639	26.2
69.45070	13.4
70.61770	4.3
71.04987	9.3
71.08613	6.2
73.02912	56.2
79.05485	26.0
79.28716	3.3
81.03417	37.3
81.07053	100.0
83.04967	14.1
83.08612	31.4
85.02904	35.3
91.05471	24.0
93.07042	33.4
95.08601	83.0
97.02896	20.8
97.06521	8.3
97.10160	13.1
99.04427	21.6
99.08099	4.0
105.07014	16.3
107.08578	20.8
109.02870	67.3
109.06465	4.0
109.10153	43.7
110.03648	13.3
111.04449	58.7
111.08081	4.6
111.53278	3.4
114.19170	4.1
114.19894	4.1
119.08552	16.3
121.10130	18.6
123.11672	20.7
127.03902	32.5
131.08592	6.6
132.99580	25.6
133.10136	12.9
135.11691	17.2
137.09599	5.0
137.13200	12.0
147.11703	11.6
149.13231	8.3
150.49623	3.5
151.00604	8.1
161.13231	7.3
163.14783	13.9
172.99089	5.0
175.14801	11.3
177.16374	4.3
189.16360	5.2
191.00064	34.7
207.70300	3.6
209.01132	9.8
245.22595	23.3
263.23706	55.6
265.03610	6.6
337.27338	45.4
337.31042	5.4
338.27454	5.3
440.23233	5.0
563.28766	71.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.175
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62200	2.5
51.82427	2.5
53.03937	4.2
55.05499	4.9
57.03422	4.2
60.52202	2.7
69.03427	17.7
69.91640	19.9
82.89108	3.4
85.02878	4.2
87.04464	2.9
100.11248	9.3
105.03398	18.1
107.04930	3.2
111.04436	6.2
119.04900	2.7
121.02850	5.4
135.04369	4.3
137.02342	14.6
163.03851	4.3
175.59872	2.8
179.03392	3.9
185.05946	3.1
189.01810	7.7
191.03340	11.1
195.02898	9.8
201.01686	3.3
203.03383	18.0
207.02943	6.9
210.14899	7.3
211.60931	2.9
215.03372	4.2
217.04959	5.1
221.04420	8.8
229.04922	4.1
251.06966	3.4
252.07646	4.1
257.04419	4.2
263.06876	3.8
264.07816	3.3
265.08545	3.7
267.06354	4.8
275.07089	3.3
278.05698	21.6
279.06503	51.0
280.07257	7.3
281.07935	9.1
283.05948	10.9
289.08768	3.0
291.06454	41.5
292.07330	16.6
293.07993	13.5
295.05917	5.5
297.07504	21.7
299.05533	6.6
303.06631	9.4
305.08002	26.3
306.08719	11.4
307.06104	6.8
307.09491	5.9
309.03979	4.8
309.07571	100.0
310.04556	6.0
311.05432	31.0
311.09125	8.1
313.07013	4.7
315.09930	4.1
317.08069	7.6
318.08643	3.6
319.09619	8.9
320.06653	4.6
321.07547	61.7
323.05521	24.4
323.08951	5.7
324.06049	6.5
325.06998	12.4
329.08081	5.3
330.08405	3.7
331.09561	12.1
333.07571	26.4
335.05441	5.1
335.08972	24.5
337.07068	24.7
338.07608	3.7
339.04999	5.2
339.08536	35.3
341.06516	24.0
345.07437	13.8
347.08942	4.5
349.06958	14.1
349.10730	9.0
351.04706	3.4
351.08572	12.4
353.06427	11.5
357.07593	4.3
359.09100	23.2
361.07111	5.6
363.08609	49.9
365.06262	21.1
365.10248	7.3
367.08014	8.4
369.07147	5.0
375.08511	17.1
377.05917	18.1
377.10580	21.7
379.07962	10.7
383.11365	8.0
387.08618	21.1
389.10168	8.1
391.07932	4.2
393.09769	23.6
395.07217	11.2
395.11676	31.3
401.12299	26.9
405.09720	18.8
407.07367	22.6
407.11819	4.2
423.10779	21.4
425.08591	16.3
425.12869	9.2
426.09146	3.7
431.11182	10.9
437.08829	6.2
441.11871	39.5
443.13263	9.7
449.12576	20.1
455.10117	6.9
467.13153	13.3
473.11710	9.1
479.13058	15.8
491.13058	15.3
497.10339	28.0
509.10956	19.0
527.11151	24.5
545.13593	3.2
563.17047	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	563.1753
Annotation	Molludistin 2''-O-rhamnoside
Peak:m/z	Relative Intensity
55.01860	1.1
57.03432	9.6
61.02938	0.8
68.99805	0.9
69.03394	0.9
70.85262	2.4
71.04986	46.4
73.02911	1.9
75.04460	1.8
81.03413	0.9
83.04954	1.4
85.02898	55.7
87.04476	0.9
91.05470	0.9
93.90920	0.8
102.65370	0.8
105.03389	3.5
129.03410	1.1
129.05453	8.6
147.04417	1.1
147.06558	1.6
149.02258	1.2
165.01816	4.4
167.03369	3.3
173.09688	0.7
183.02859	1.5
195.02936	1.3
223.07555	1.6
251.07031	11.0
254.05679	3.2
255.06451	8.2
265.08606	7.9
267.06500	100.0
268.07220	11.0
277.08707	1.3
279.06516	13.1
279.09937	1.8
281.08066	2.0
288.92911	0.8
289.08527	2.9
291.06488	1.7
292.07205	1.9
293.04657	1.6
293.08026	24.3
297.07556	98.7
298.07922	1.3
305.08029	1.8
307.06342	0.9
307.09647	11.3
317.07932	3.9
321.07556	48.2
333.07523	12.5
335.09247	1.8
345.07608	9.8
351.08588	33.0
358.59335	0.8
363.08572	20.8
381.09650	20.6
399.10718	40.4
417.11786	52.8
418.12204	1.2
435.84830	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1751
Annotation	Molludistin 2''-O-rhamnoside
Peak:m/z	Relative Intensity
51.20866	0.6
51.66818	0.6
55.01862	0.8
57.03412	1.5
61.80556	0.7
66.75006	0.7
69.03416	1.3
70.06579	4.4
70.70853	2.3
71.04996	4.4
72.04648	0.6
72.08139	0.8
79.01847	2.3
81.03406	1.7
81.74374	0.6
84.04501	1.2
84.08123	1.7
85.02899	5.7
86.09704	3.2
91.01754	0.6
91.05471	1.1
95.04955	0.9
97.44682	0.6
103.05477	0.7
105.03386	9.9
107.04916	1.1
109.02857	1.4
110.07113	0.9
120.08086	1.3
129.03365	0.9
134.79677	0.7
135.04411	0.8
136.07529	1.1
137.02335	2.9
137.05952	2.3
147.04361	0.9
165.01807	1.5
171.02928	0.9
175.03909	0.7
177.01886	0.8
183.02917	1.3
187.03961	0.7
189.01814	1.0
191.03358	1.1
195.02838	1.5
199.07491	0.6
203.03403	1.8
205.04987	1.2
207.02992	1.6
211.07539	1.1
212.08134	0.8
215.03349	1.3
217.04945	3.0
219.02902	1.8
221.04431	1.0
227.07054	2.1
233.04462	1.4
237.09019	0.8
239.07022	2.3
240.07779	5.4
243.06560	1.0
250.06355	1.0
251.06943	1.3
254.05705	1.5
255.06522	8.0
261.03888	3.4
265.08679	1.3
267.06509	61.3
268.07272	23.9
268.10181	1.2
269.07962	2.0
279.06549	13.0
281.08054	9.3
283.06042	0.8
289.08417	1.1
291.06482	2.6
292.07150	3.1
293.08011	6.2
295.06006	2.2
297.07562	81.0
298.07916	2.0
299.05487	1.4
300.06281	1.0
305.08072	1.3
307.06116	2.0
307.09586	18.1
309.07568	5.1
310.04916	1.1
311.05533	6.6
311.08878	1.3
312.05841	1.0
313.07120	2.0
317.08237	0.9
319.09586	0.8
321.07553	23.3
323.05481	5.3
324.06177	1.0
325.07172	3.1
325.10660	0.8
327.08530	4.5
333.07590	2.6
335.05579	1.1
335.09146	5.0
336.06232	0.7
337.06989	5.2
339.04941	1.3
339.08664	2.3
341.06622	5.1
345.07562	0.9
349.06833	3.2
350.07938	0.9
351.04697	0.9
351.08655	12.5
352.05853	0.9
353.06451	3.6
361.07227	0.9
363.08597	10.9
365.06299	3.6
367.08038	1.7
377.06339	3.5
379.08124	2.3
381.09723	21.2
383.07703	0.9
391.08224	1.0
393.05942	1.1
395.07697	3.8
399.10751	22.9
407.07193	5.1
407.12317	1.0
417.11771	100.0
418.12128	2.3
423.06967	1.3
425.08228	3.4
437.08661	1.9
443.09616	2.0
455.09811	2.4
463.10138	0.9
473.10455	0.8
479.09753	1.2
491.09750	2.2
497.10883	6.0
501.10202	0.9
509.10574	5.5
527.11804	7.4
545.12762	2.7
563.17468	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	563.1752
Annotation	Molludistin 2''-O-rhamnoside
Peak:m/z	Relative Intensity
53.03926	0.6
55.40517	0.7
57.03419	1.3
63.88955	0.7
69.03435	0.8
70.06584	4.4
71.04980	3.6
71.75855	1.0
71.76285	1.1
72.08160	1.2
74.06094	0.7
74.98686	0.7
79.01837	2.4
81.03416	1.9
84.04516	1.0
84.08105	1.6
85.02893	5.5
86.09689	2.3
91.05460	1.3
103.05476	1.5
105.03376	7.8
109.02887	0.8
110.07140	1.0
120.08107	1.9
121.02890	1.1
127.03954	1.3
129.03404	0.7
129.05525	0.7
135.04344	0.8
136.07642	0.7
137.02303	3.1
137.05952	2.2
141.07005	0.8
147.04370	1.3
149.78412	0.7
161.05927	0.9
165.01794	0.8
171.02840	1.2
175.03918	0.7
180.34189	0.8
182.99155	0.7
183.02856	1.8
187.03851	1.3
189.01779	1.2
189.05470	1.0
191.03333	0.8
191.71664	0.8
195.02939	1.6
197.05995	1.3
199.03854	0.8
203.03362	1.6
211.07634	0.7
213.05536	0.9
215.03416	1.4
217.04874	3.5
219.02892	1.2
221.04491	0.8
221.62143	0.7
227.07034	2.2
233.04425	1.1
239.07007	2.1
240.07878	4.1
243.02847	2.8
243.06483	1.3
251.06920	1.1
254.05638	1.5
255.06552	6.5
261.03943	4.1
263.06879	1.3
265.08456	1.3
267.06488	60.8
268.07242	24.9
269.07715	1.5
279.06528	15.1
279.09564	0.6
281.08041	10.4
283.06015	1.1
291.06485	1.5
292.07263	2.7
293.08121	6.1
295.05859	3.4
297.07547	78.8
298.07913	2.0
299.05502	1.5
305.08221	0.9
307.05988	2.5
307.09525	16.0
308.09906	0.9
309.07541	4.8
311.05429	8.1
311.08838	1.4
313.07135	1.5
321.07550	25.1
323.05542	6.9
323.09048	1.2
324.06168	1.1
325.07104	4.1
327.08591	3.1
333.07407	2.0
335.09100	4.8
337.06934	4.7
338.07791	1.5
339.08667	2.8
341.06622	5.1
345.07562	1.6
349.07111	3.2
351.04691	1.4
351.08615	13.2
353.06451	3.9
361.06732	0.9
363.08591	11.3
365.06415	4.5
367.08011	1.5
371.97781	0.9
377.06409	2.5
379.08344	1.7
381.09650	17.2
389.06024	2.0
391.08157	1.1
395.07520	3.1
399.10687	23.1
400.10535	0.8
407.07309	6.2
417.11755	100.0
418.12018	1.1
423.07098	1.3
425.08292	4.1
437.08591	1.5
443.09659	1.1
455.09705	3.1
461.09393	1.0
473.10626	0.9
479.09488	1.7
491.09488	2.2
497.10712	6.3
509.10379	6.2
527.11603	7.5
545.12738	2.8
563.17743	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	563.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39478	1.5
55.01861	5.6
60.64534	1.5
70.06592	4.0
70.94028	4.0
70.94357	2.2
75.73450	1.6
85.02920	1.9
86.09698	2.4
87.04467	2.4
91.05500	2.7
105.03371	1.7
107.04954	2.8
119.04926	3.7
121.02911	1.7
125.28989	1.5
133.02858	2.0
135.04399	8.7
137.02335	29.6
137.05991	4.2
144.08121	2.0
147.04428	2.8
159.04404	2.4
161.02301	5.3
161.05911	2.6
162.02045	1.5
165.01839	3.4
171.04362	1.8
175.03870	3.0
176.01204	1.7
177.01770	2.8
179.03407	4.8
187.03966	2.0
189.01811	6.5
191.03426	6.4
195.02827	9.3
201.05453	2.3
203.03384	18.8
205.05008	4.5
207.02937	11.5
211.57451	1.6
215.03384	12.3
217.05020	6.1
219.02737	2.6
221.04460	6.0
223.05823	1.9
229.04877	2.1
231.02992	2.7
233.04478	5.5
243.02876	6.4
245.04245	1.8
257.04401	2.7
261.03943	3.4
270.05084	2.0
271.06024	3.4
273.03958	2.2
283.06091	4.5
284.06821	4.0
295.06046	4.5
296.06873	1.8
297.07553	2.9
299.05463	17.0
300.06082	2.4
309.07465	5.0
310.04770	10.1
311.05472	64.8
312.06125	6.1
313.07092	11.9
321.07614	4.6
323.05481	57.9
323.08789	2.5
324.06244	12.3
325.07016	25.0
328.05716	4.6
329.06461	2.8
333.07516	3.5
335.05478	6.1
336.06360	6.5
337.07022	52.5
338.07849	8.0
339.04996	4.4
339.08646	7.8
341.06558	53.8
342.07184	2.9
345.07480	5.3
349.07013	34.5
350.07629	4.6
351.04816	5.9
351.08658	13.7
352.05627	4.5
353.06555	28.0
361.07205	12.5
362.07602	2.1
363.04718	2.7
363.08713	5.5
365.06519	40.6
366.07303	4.3
367.08099	18.9
369.05988	6.7
373.06927	3.1
376.05789	2.5
377.06519	34.5
378.07004	3.0
379.08096	19.9
381.05951	3.4
383.07520	4.3
389.06277	14.7
391.08044	7.5
393.06000	6.6
394.06717	4.6
395.07538	29.4
397.09097	2.7
403.07968	2.8
405.05496	2.3
406.06598	4.5
407.07559	65.9
409.09396	3.9
411.07059	2.9
417.09805	2.3
419.07611	7.6
423.06747	10.7
424.07761	3.7
425.08636	49.7
431.09796	2.9
433.09317	3.5
435.06363	2.4
437.08844	10.0
441.08292	2.4
443.09714	23.0
445.09274	2.1
447.07144	3.1
449.08484	3.7
455.09750	11.0
461.09061	2.5
463.10242	5.3
473.10547	12.0
479.09775	15.8
491.09775	21.1
497.10767	100.0
509.10785	64.5
527.11792	90.8
545.12933	22.5
551.42194	1.9
563.13928	6.8
571.60748	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	6.4
59.98343	2.4
69.03422	3.6
70.06582	13.9
70.06929	2.3
70.29499	6.4
70.29904	5.9
71.05003	4.1
72.08139	5.0
81.03426	3.0
84.08153	4.0
85.02899	8.5
86.09689	5.6
93.03403	4.0
97.02901	3.0
98.20618	2.6
101.70461	2.4
103.05471	4.4
103.91404	2.8
105.03423	5.4
107.04965	3.3
110.07181	3.4
119.04999	3.2
120.77805	2.4
121.02859	5.4
131.04951	2.9
135.04411	12.8
137.02336	34.9
147.04434	3.0
149.06026	3.8
159.04485	3.4
161.02325	7.5
161.05896	3.5
163.44450	2.7
165.01843	3.9
167.03450	2.8
175.03998	4.2
176.00899	2.5
177.01758	3.6
179.03438	7.8
187.03893	4.3
189.01880	6.2
189.05452	2.4
191.03391	7.8
195.02850	7.3
199.03879	4.7
201.05525	3.7
203.03374	15.0
205.04933	2.8
207.02882	11.2
215.03424	8.9
217.04906	6.7
219.02940	6.6
221.04474	9.6
227.03383	3.6
229.05019	3.7
231.03023	5.3
233.04488	5.0
243.02795	3.3
245.04521	4.4
251.07114	5.1
255.06512	2.4
257.04330	2.8
265.08542	3.3
267.06534	30.4
268.06946	20.5
269.07016	15.6
271.05927	5.5
279.06525	6.2
281.07907	6.1
283.05954	25.6
284.06683	5.2
291.09631	3.4
293.08112	10.4
294.08426	5.2
295.05887	7.4
295.08878	5.7
296.06735	3.3
297.07620	26.2
299.05588	18.8
307.09720	5.9
308.06708	3.7
309.07495	9.0
310.04700	10.5
311.05505	69.1
311.08807	5.1
312.06247	6.6
313.06961	13.7
315.08618	9.7
321.07574	27.1
322.07971	9.8
323.05350	51.9
323.08615	9.1
324.06216	13.9
325.07016	37.2
326.07932	3.0
327.08643	5.5
328.05826	4.2
329.06424	4.8
333.07529	7.7
334.08182	4.0
335.05496	8.3
335.08865	3.4
336.06232	9.7
337.07007	44.0
337.10797	4.6
338.07913	8.7
339.04892	6.4
339.08670	16.4
341.06558	63.3
342.07162	2.9
345.07571	10.4
349.07028	31.2
350.07675	7.1
351.04919	6.0
351.08618	26.5
352.05396	4.4
352.09256	5.5
353.06229	42.0
355.08057	6.4
357.06226	3.7
361.07077	18.6
363.04700	4.0
363.08838	14.8
364.09140	3.0
365.06241	40.8
365.10083	10.5
366.07297	6.3
367.08121	25.3
369.06070	7.8
375.08765	3.6
377.06454	34.5
377.10321	3.7
378.07321	3.1
379.08194	28.0
381.05951	14.9
381.10138	5.7
383.11389	23.4
389.06433	16.7
391.08246	12.9
393.06015	12.3
395.07486	46.5
399.10913	5.7
400.10883	3.7
401.12057	20.1
405.05664	5.1
405.10190	4.3
407.07541	84.1
409.09317	3.9
411.07077	9.2
417.10843	4.3
419.07526	9.4
423.07086	9.0
424.08194	5.2
425.08658	75.1
435.07028	14.3
437.08713	14.9
443.09702	24.2
445.08936	3.9
447.06943	8.7
455.09467	13.9
463.10083	9.7
465.08023	10.6
473.10907	18.1
479.09674	21.8
481.11627	4.1
483.09125	3.8
491.10013	18.6
497.10803	74.8
509.10764	82.2
527.11823	100.0
545.12744	20.1
562.40375	3.0
563.14026	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	562.3218
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46281	1.3
53.03936	1.3
55.01860	3.8
55.05510	13.9
57.03430	2.7
57.07055	2.2
63.64535	1.2
67.05503	15.3
69.03419	7.6
69.07064	12.7
70.69358	4.1
72.08099	1.1
79.05489	14.2
81.03398	8.6
81.07051	13.5
83.04983	2.8
83.08611	6.2
85.02888	4.9
85.10163	3.7
86.49010	1.3
91.05473	9.9
93.07032	10.8
95.01315	2.2
95.04958	4.6
95.08627	6.8
97.02898	5.9
97.06512	2.2
97.10167	6.8
99.04412	1.2
105.07014	9.2
107.04955	4.1
107.08610	7.3
109.02853	3.5
109.06466	1.4
109.10144	5.1
111.08089	1.4
113.09665	1.6
117.07008	4.3
119.04979	1.3
119.08572	6.1
120.63373	1.1
121.06513	2.5
121.10133	3.8
123.08059	1.7
125.09622	6.2
127.03912	9.3
129.07018	3.3
131.08580	6.4
133.06493	2.6
133.10132	2.7
135.08034	1.9
140.69893	1.2
142.07741	1.6
143.08530	2.2
145.10110	5.3
147.08060	4.9
149.13170	1.7
150.06850	1.2
157.06529	1.3
157.10114	2.1
159.11644	2.6
161.13232	1.2
162.10393	1.3
163.11218	1.6
171.08092	1.5
173.09612	1.3
189.11266	3.2
193.12218	1.9
205.12120	1.9
207.59267	1.4
215.10857	1.4
223.13293	9.8
223.31810	1.3
227.12779	1.9
245.11528	1.4
249.14880	2.9
270.61737	1.2
273.18539	8.8
277.14352	1.6
285.16943	2.5
289.10715	1.7
291.19528	100.0
292.19882	2.4
305.13550	1.6
325.12753	6.1
365.23209	33.9
374.83704	1.4
382.92258	1.4
389.23105	2.0
399.21558	5.0
407.24017	1.8
417.22672	13.0
435.23904	12.0
443.24271	2.9
453.24667	3.2
491.26065	2.9
495.98834	1.6
509.27133	4.1
527.28644	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	562.3216
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	7.4
55.01868	8.7
55.05510	16.8
57.03422	9.1
61.02916	4.5
61.62713	1.8
65.03917	5.0
67.05501	65.3
69.03427	19.8
69.07062	20.9
70.06580	2.9
70.07809	8.7
70.08241	3.6
71.04984	8.2
71.84496	1.8
73.02916	2.1
73.06536	2.1
79.05483	34.2
81.03406	23.7
81.07050	63.1
83.04973	15.0
83.08615	11.7
85.02894	8.4
85.06528	8.7
87.78541	2.2
91.05471	56.0
91.07781	2.0
93.07032	41.9
95.04960	13.9
95.08600	20.8
97.02917	3.1
97.06512	7.0
97.10178	3.3
99.04441	8.2
103.05459	2.4
103.49719	2.1
105.07021	47.2
106.75211	2.2
106.84110	2.1
107.04921	10.2
107.08577	46.6
109.02875	17.3
109.06504	12.1
109.10142	60.0
111.04436	3.4
111.08057	4.0
113.05998	2.5
117.07027	12.5
119.08592	11.9
121.06512	9.5
121.10120	9.2
123.08060	4.9
123.11660	12.3
125.09631	3.6
127.03905	18.1
127.07565	3.6
128.06194	2.4
129.06985	4.8
131.08563	12.7
133.06494	6.1
133.10118	92.7
135.08066	6.8
135.11687	7.9
136.06137	4.0
137.05988	2.1
137.09645	2.3
143.08562	5.2
145.10141	8.6
147.08080	4.0
147.11679	6.1
149.09567	10.5
151.11168	51.0
152.66252	2.3
153.87346	2.3
157.10120	3.5
159.08011	4.2
159.11703	3.7
161.09593	10.9
161.13280	3.3
163.11215	7.3
165.12694	3.2
169.12233	12.2
171.11615	3.7
173.13341	2.0
175.11134	4.9
177.09164	5.3
177.12674	2.2
177.41013	2.3
179.10680	4.0
195.10245	2.1
203.14180	2.6
215.12749	12.5
227.18115	2.7
239.12717	3.9
245.18987	6.1
253.14346	100.0
255.17509	3.8
263.20035	9.6
269.13757	4.5
271.15421	19.3
273.18454	30.6
273.21155	3.1
276.20328	4.6
291.19556	36.4
309.20483	2.6
323.14786	8.8
341.15958	14.1
347.22174	5.4
347.25977	2.3
365.23169	57.3
399.21634	3.1
417.22589	2.2
430.26819	2.3
435.23657	15.2
562.38715	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.3218
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16691	1.9
53.03933	3.2
55.01856	3.7
55.05510	13.6
57.03428	4.3
61.02908	1.6
63.52209	1.5
67.05502	17.7
69.03425	7.1
69.07060	16.8
70.06573	4.8
71.04982	2.4
71.75232	2.5
79.05478	14.1
81.03413	10.0
81.03848	1.4
81.07057	13.7
83.04967	3.3
83.08607	6.0
85.02911	6.1
91.03969	1.8
91.05463	11.2
93.07050	11.3
95.04951	6.1
95.08599	9.0
96.08157	2.4
97.02884	4.6
97.06511	2.7
97.10181	6.0
105.07030	11.6
107.04938	6.5
107.08579	8.5
107.23626	1.7
109.02817	3.7
109.06545	2.0
109.10136	7.1
117.07027	5.0
119.04943	3.1
119.08562	7.6
121.06461	2.4
121.10121	3.4
123.08047	2.5
125.09605	8.5
127.03929	7.0
129.06931	3.4
131.08533	5.4
133.06474	2.4
133.10118	7.5
135.08043	3.6
136.06261	2.0
143.08568	3.3
145.10115	5.7
147.08044	4.3
147.11676	4.1
149.09552	2.0
157.10115	2.0
159.08134	2.4
159.11653	3.3
161.09555	3.5
163.11208	2.2
180.33907	1.7
189.11201	4.0
191.51620	1.7
193.12219	3.9
223.13268	10.8
249.14842	2.1
263.20026	1.8
267.06708	2.6
267.15720	2.3
273.18521	11.5
285.16998	4.4
291.19501	100.0
317.40106	1.6
347.22098	2.2
365.18811	2.6
365.23245	41.1
371.21945	2.6
381.20645	1.9
399.21631	4.2
417.22308	2.1
435.23474	8.5
465.96497	1.7
473.25363	2.3
491.26480	3.0
509.27115	3.2
527.28662	11.8
562.29950	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.4144
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02381	1.5
53.03941	5.0
55.01866	3.9
55.05505	18.5
57.03424	2.5
57.07059	3.2
59.05008	2.1
60.05288	0.9
65.03629	1.1
65.03927	6.2
67.05500	81.9
69.03427	3.0
69.07064	18.8
69.53968	4.0
69.54395	5.1
71.04987	53.1
77.03949	1.4
79.05487	55.2
81.03415	1.3
81.07048	100.0
83.04973	11.7
83.08607	10.6
85.06532	5.9
87.90115	0.9
91.05472	55.1
93.07036	64.2
95.04967	9.8
95.08596	38.7
97.06522	10.1
97.10164	3.1
99.08073	2.8
105.04536	1.5
105.07024	30.6
107.08582	35.3
109.06552	5.2
109.10144	14.8
111.08070	3.8
117.07008	12.4
119.08577	13.7
121.10133	26.1
123.08082	2.4
123.11694	17.1
125.09644	2.3
129.06992	2.1
131.08568	13.0
133.10120	31.0
135.08069	1.2
135.11691	16.9
143.08551	1.8
145.10150	7.6
147.11674	3.9
149.09602	2.0
149.13234	14.4
151.11171	14.2
157.10097	1.8
159.11678	12.8
161.13258	5.4
163.14851	1.5
165.12830	1.3
169.12173	1.2
173.13315	3.0
175.14740	1.3
177.12791	3.2
179.14326	1.4
183.13785	17.3
185.13373	0.9
187.13293	2.5
187.14795	2.1
192.53581	1.1
195.13857	5.9
201.14793	1.2
209.15369	1.2
211.14999	1.2
227.16536	1.2
237.54974	1.0
238.35532	1.2
243.20999	1.2
251.78625	1.0
257.17361	1.4
261.22232	4.2
269.17523	2.8
275.20129	1.7
277.21622	1.1
283.19193	3.2
285.17004	3.8
289.95535	1.2
293.21188	2.2
317.24612	1.2
335.25937	1.7
349.27225	1.7
361.27405	3.3
363.25308	2.9
437.34229	1.6
511.37729	1.5
517.38837	24.7
529.38898	12.4
543.36975	1.2
561.41321	75.1
562.41364	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.4149
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	5.2
55.01867	2.6
55.05506	24.8
57.03428	4.8
57.07068	3.3
59.04993	2.9
65.03928	2.8
67.05499	85.6
69.03423	2.9
69.07059	20.1
69.49129	4.0
69.49557	7.8
71.04986	49.1
71.08618	1.5
73.06574	1.4
79.05486	57.7
81.03420	2.4
81.07048	98.8
83.04973	10.1
83.08614	11.2
85.06532	5.3
87.04458	1.9
91.05470	61.9
93.07038	60.9
95.04962	8.7
95.08598	46.0
97.06528	7.0
97.10153	3.1
99.08093	4.0
105.07017	35.9
107.04956	2.2
107.08583	35.6
108.79531	1.3
109.06512	4.6
109.10143	19.4
111.08058	3.4
117.07012	12.0
119.08572	19.1
121.10137	25.2
123.08077	2.2
123.11712	16.5
125.09608	2.9
129.07002	3.4
131.08553	17.7
133.10117	30.1
135.11679	19.1
137.09576	2.5
139.11165	1.7
141.06990	1.1
143.08560	4.6
145.10101	12.1
147.11697	10.3
149.09648	1.3
149.13251	13.4
151.11172	12.2
155.08539	1.5
157.10112	4.0
159.11694	13.7
161.13234	7.4
163.11194	1.9
167.14357	1.3
169.10112	1.8
171.11691	2.9
173.13239	5.6
175.11122	1.2
175.14816	3.2
177.12737	5.6
179.14307	2.6
183.11938	1.9
183.13760	15.3
185.13281	2.5
187.13277	2.5
187.14830	2.8
189.16299	1.3
195.13809	4.6
197.13280	1.7
199.14735	1.4
225.16490	1.4
227.12831	1.8
227.16328	2.1
241.19380	1.3
243.21242	1.6
253.18062	2.8
257.17480	1.9
259.20706	1.6
261.22180	4.4
269.17526	2.2
273.22171	1.5
285.17084	3.8
289.21579	2.7
305.24857	1.3
335.25571	2.1
361.27463	2.6
363.25433	5.2
421.71356	1.3
429.93124	1.2
437.34116	4.3
511.37720	2.4
517.38794	23.0
518.39221	1.4
529.38873	33.2
543.36804	2.1
561.40576	100.0
562.41217	2.3
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
53.03951	5.3
53.92264	1.0
55.01864	3.2
55.05507	19.8
55.57482	1.2
57.03433	3.2
57.07082	1.7
57.23633	1.0
58.10083	1.0
59.05001	1.8
63.29242	0.9
65.03934	3.4
67.05499	83.9
69.03429	2.5
69.07063	19.9
70.69221	2.5
70.69586	2.7
71.04986	52.2
77.03935	1.2
79.05486	53.8
81.03419	2.7
81.07050	100.0
83.04979	11.5
83.08607	11.3
85.06543	5.8
87.04467	1.3
91.05473	59.3
93.07034	61.5
95.04942	8.8
95.08598	42.2
95.09203	2.4
97.06516	9.7
97.10181	5.2
99.08101	3.2
105.04504	1.2
105.07025	38.7
105.07727	2.2
106.06857	1.2
107.04904	1.2
107.08582	39.9
109.06519	4.9
109.10144	14.6
111.08102	3.0
117.07014	10.8
119.08565	20.0
121.10129	27.4
121.10959	1.3
123.08078	2.4
123.11697	18.5
125.09644	2.3
129.07034	3.4
131.08565	16.4
133.10114	31.0
135.08063	1.7
135.11687	17.8
135.12640	1.9
137.09612	1.5
137.13237	1.5
139.11247	1.3
143.08594	4.1
145.10139	8.7
147.11673	10.5
149.09616	1.8
149.13234	15.6
151.11177	12.7
157.10152	2.8
159.11691	14.0
161.13287	5.0
163.14900	1.6
169.10104	1.5
171.11739	3.0
173.13232	6.9
175.14885	3.0
177.12712	6.3
181.10080	1.2
183.13803	17.1
185.13324	1.9
187.13367	3.5
187.14856	2.5
195.13863	4.6
199.14915	1.3
201.14886	2.3
227.16414	1.8
253.17891	2.9
257.17447	1.7
259.20663	2.5
261.22275	4.8
269.17566	3.3
283.19122	2.3
285.17026	4.2
289.21631	2.7
293.21155	1.7
317.24896	1.4
335.25766	1.7
361.27557	2.1
363.25397	3.2
437.34384	4.8
511.38132	2.4
517.38794	24.8
529.38879	31.4
561.41620	66.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.2725
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	10.2
55.01872	18.5
55.05501	26.1
57.03439	13.1
61.02906	5.9
61.03455	2.4
62.02491	2.4
65.03918	5.7
67.05134	4.9
67.05498	90.0
69.03420	40.4
69.07061	20.0
70.16821	13.4
71.04991	11.7
73.02908	39.4
79.05491	51.9
79.94794	2.6
81.03416	30.6
81.07049	100.0
83.04964	12.9
83.08630	15.0
85.02888	26.8
85.06541	4.6
91.05475	38.8
93.07039	59.9
95.04958	8.3
95.08596	64.3
97.02883	12.5
97.06527	7.4
97.10159	7.6
98.98463	10.7
99.04436	18.0
99.08085	3.2
105.07030	30.0
107.08582	34.9
109.02869	56.6
109.06480	4.5
109.10150	38.8
110.03687	7.3
111.04425	47.4
111.08080	5.8
115.05437	3.3
117.07014	11.1
119.08573	28.2
121.10133	32.2
123.11672	15.9
124.40884	2.5
127.03905	26.6
131.08572	21.1
132.99522	17.3
133.10136	15.8
135.11700	24.3
137.13274	6.7
143.08580	3.8
145.10110	14.8
147.11642	16.5
149.13240	12.1
151.00592	7.0
152.29080	2.5
155.01093	6.5
157.10155	3.4
159.11731	10.7
161.13237	11.2
163.11189	3.4
163.14827	8.6
172.98967	3.6
173.13226	13.4
175.14870	4.5
177.16383	4.2
185.13274	3.7
187.14728	2.6
191.00060	24.1
199.14912	3.2
209.01132	11.7
243.21046	12.2
250.10434	2.9
261.22089	36.7
275.20004	3.2
279.22968	3.8
283.15396	3.8
289.59052	2.8
293.20761	3.4
317.24829	7.9
335.25815	36.2
337.27350	12.6
543.36725	10.2
561.27075	59.4
561.37347	15.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.1933
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.5
54.53252	0.5
55.01859	1.3
57.03422	1.3
61.02919	1.1
69.03417	4.5
70.06573	3.2
71.04971	1.3
71.75499	0.7
72.08134	1.2
73.02898	1.5
74.02419	0.6
79.05510	0.8
81.03412	5.6
81.10952	0.5
84.04510	1.3
84.08125	3.3
84.08564	0.5
85.02896	15.3
86.09715	3.0
87.00818	5.5
87.04469	0.7
88.03986	1.2
88.15881	0.5
89.29124	0.5
91.05466	1.6
97.02889	6.8
99.04453	2.3
103.05460	28.1
105.01859	9.1
105.07027	4.2
109.02876	7.6
110.07169	1.0
116.03450	0.7
117.01807	0.5
119.04939	0.8
120.08114	0.8
120.22227	0.5
127.03899	11.9
129.10255	1.5
131.04916	67.0
132.05266	0.6
133.06477	3.8
134.04488	1.7
136.07526	0.6
137.05949	2.2
145.04945	8.0
146.03369	0.9
147.04424	1.7
155.45087	0.6
159.02887	2.5
159.09290	0.7
161.05971	7.0
163.07524	8.8
169.99661	0.5
179.10533	0.7
185.05719	18.5
203.05266	3.9
213.03900	1.5
218.05621	0.6
219.06268	4.2
231.04913	4.3
249.06041	1.9
364.11359	1.1
381.13043	7.0
382.11285	1.0
383.14685	4.8
470.78513	0.5
561.19397	100.0
562.20074	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	8.9
55.01873	12.7
57.03428	7.0
58.49128	1.0
58.86245	1.1
61.02927	7.8
68.99782	2.8
69.03424	32.4
70.06579	3.2
71.04978	5.1
71.14452	2.9
73.02908	12.4
81.03410	32.4
82.90061	1.1
83.01343	1.6
84.08116	1.8
85.02897	98.4
86.09700	2.1
87.00822	35.9
87.01358	1.9
91.03963	2.6
97.02881	73.2
99.04443	17.0
105.01856	50.7
109.02863	34.6
115.03903	1.6
116.04968	4.1
117.01841	4.7
123.02864	1.4
127.03902	100.0
129.01837	4.1
134.05960	2.4
137.05925	1.9
145.04945	68.2
147.02841	2.4
158.05998	12.4
159.02881	29.9
176.07076	4.7
213.03903	4.8
231.04976	35.9
235.63889	1.3
249.06007	11.6
323.08960	1.2
364.10294	2.8
377.16614	1.2
382.11298	13.5
451.28537	1.3
462.43222	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.1595
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03919	1.0
57.03424	3.5
61.02866	1.9
68.99755	0.5
69.03364	1.8
70.06545	1.4
70.81536	1.8
81.03422	2.8
84.04463	0.7
84.08112	0.6
85.02898	7.3
86.09634	1.6
89.97650	0.6
91.05474	3.5
93.03354	1.0
95.04881	2.4
97.02827	2.4
99.04414	1.0
103.03867	2.5
103.05405	2.5
105.01830	1.2
105.03381	28.2
105.06915	0.6
107.04890	2.6
109.02859	3.5
115.05401	1.1
121.02755	0.7
121.06474	1.0
127.03845	2.3
129.03334	2.9
131.04880	1.2
133.02789	0.7
133.06461	0.7
135.04353	0.8
139.28224	0.6
143.04875	0.8
145.04877	1.2
147.04443	1.2
157.06303	0.8
159.04330	1.4
161.02339	1.0
161.05913	1.0
163.03769	0.8
165.01836	1.1
173.05884	1.1
175.03835	1.5
177.01738	2.1
177.05473	0.7
179.03322	1.5
183.04385	0.8
185.05878	0.7
187.03854	2.0
189.01830	4.7
191.03413	2.7
195.02867	8.2
199.03845	1.3
201.01672	1.0
201.05467	1.6
203.03366	12.4
204.04025	0.9
205.04892	2.5
207.02850	5.6
211.03816	1.3
213.05371	0.8
215.03378	2.9
217.04889	5.1
219.02895	1.3
219.06421	0.9
221.04388	4.9
225.05502	0.8
225.69368	0.6
227.03435	3.2
229.04933	5.0
231.02980	1.0
231.04933	1.1
233.04419	1.9
235.07564	1.2
237.09158	0.8
239.03328	1.8
239.06961	0.8
241.04898	1.0
243.02911	1.3
243.06448	0.8
245.04456	1.1
251.07069	2.7
252.07799	6.4
253.05110	1.0
253.08449	0.7
255.02788	3.2
257.04407	2.3
263.07001	5.6
264.07831	2.1
265.08597	2.8
266.05609	1.4
267.02960	1.3
267.06500	7.7
268.07034	0.9
273.03970	1.7
275.07016	0.8
276.07877	1.7
277.08542	6.9
278.05713	6.1
278.09268	1.7
279.06494	98.5
280.07187	10.2
281.04614	1.1
281.08041	8.6
283.05807	0.9
285.03909	1.3
288.07761	1.8
289.08514	2.3
290.09213	0.7
291.06494	45.7
291.09879	1.7
292.07254	22.6
293.04691	1.3
293.08014	11.0
295.05859	1.2
297.07455	4.7
301.08664	3.8
302.09375	2.2
303.06436	3.9
303.10135	2.8
304.07315	4.9
305.08041	46.8
306.05341	1.0
306.08786	17.4
307.05923	2.9
307.09607	5.7
309.07532	100.0
310.07910	1.8
313.08615	2.7
315.06564	1.4
315.09982	1.1
316.07199	1.2
317.08051	16.8
318.08871	1.7
319.05954	2.3
319.09534	19.3
320.06747	3.6
320.10254	1.4
321.07559	31.1
321.11078	1.7
323.09097	2.1
327.09973	0.8
329.08157	4.4
330.08896	3.0
331.06140	1.3
331.09610	18.4
333.07541	51.0
334.08157	1.8
335.09094	38.6
341.08081	3.5
343.09702	2.5
344.06653	1.4
345.07547	24.5
345.11243	4.5
346.08090	1.2
347.09100	9.3
349.06876	0.9
349.10663	10.3
351.08563	2.2
355.09702	1.9
357.07495	8.1
357.11557	0.9
358.08450	2.2
359.05640	1.0
359.09128	16.5
359.13336	1.2
361.07004	1.8
363.08585	81.9
364.08960	1.2
365.10294	0.9
369.07550	5.6
370.08725	0.7
371.09000	4.9
373.06888	1.1
373.10757	5.5
375.08600	32.6
376.09317	0.8
377.10056	1.6
381.09320	1.4
383.09180	2.1
385.10846	3.2
387.08575	34.2
388.08752	0.8
389.10089	1.6
393.09647	46.0
397.10779	1.6
399.08322	6.2
401.10104	4.7
405.09628	25.4
406.10089	0.9
411.10767	54.3
412.11227	1.0
413.10339	1.5
415.11938	1.5
417.09506	6.0
419.11288	1.1
423.10724	28.9
425.10556	0.9
429.09637	9.3
433.13016	1.2
435.11023	1.2
441.11801	82.7
442.12241	1.4
443.11679	0.6
447.10678	12.4
453.09283	1.3
459.10699	3.9
465.11786	54.2
466.12064	1.2
471.10989	3.9
477.11740	5.3
483.12820	21.1
489.11832	10.5
495.12842	26.2
496.13345	0.8
507.12817	30.5
513.13794	6.4
525.13885	26.4
543.14905	21.1
561.15833	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	560.5035
Annotation	Unknow
Peak:m/z	Relative Intensity
54.90654	3.0
55.05498	6.0
56.05027	3.8
60.73671	3.3
64.09830	2.9
67.05482	5.5
69.07073	4.7
71.74992	3.7
71.75444	4.1
79.05465	5.7
79.30003	3.0
81.07043	7.5
82.06579	3.7
91.05476	8.2
93.07042	6.0
94.06553	16.3
105.07003	5.6
107.08542	4.3
111.67789	3.0
133.10123	4.2
153.77127	3.3
154.77592	3.9
163.76276	3.2
178.35957	3.5
190.85458	3.0
245.22702	4.1
250.25313	6.1
262.25290	100.0
280.26361	13.1
338.68967	3.8
542.49323	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	560.3062
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01844	1.4
55.05513	8.7
57.03419	3.1
61.02911	1.6
67.05500	7.1
69.03422	2.9
69.07052	2.5
70.06569	3.8
70.86603	3.3
71.05016	1.5
72.08143	1.1
73.02917	0.9
79.05485	6.9
79.52353	0.9
81.03412	2.7
81.07045	8.7
83.08608	4.5
84.08158	1.1
85.02887	3.7
85.06538	1.1
87.04483	1.1
91.03933	1.1
91.05472	8.8
93.07034	3.8
95.04951	2.2
95.08599	3.0
97.02856	1.5
97.10139	11.9
103.05447	1.5
105.07049	2.9
107.08578	4.0
109.02858	2.2
109.10131	4.1
111.08072	1.9
117.07012	7.6
119.08569	100.0
121.10144	2.0
123.08118	1.1
125.09632	8.9
129.06995	4.1
131.08522	2.5
133.06519	2.6
133.10046	2.2
135.08040	7.7
137.09639	1.8
143.08591	2.0
144.05685	1.2
145.06474	1.3
145.10089	5.0
147.08043	6.0
149.09596	1.1
157.10109	8.2
159.08043	43.9
159.11679	3.1
160.47064	1.0
161.09625	2.1
169.10104	6.1
171.10219	1.3
173.09641	7.0
175.07498	2.0
181.10239	1.3
183.11693	2.0
185.09552	1.1
187.11259	1.3
189.11206	7.5
197.13249	1.6
199.11160	1.1
207.11649	1.4
211.11211	1.3
211.14722	1.4
225.16348	3.0
227.12701	9.2
235.14775	3.6
243.17392	1.4
245.13843	2.9
253.15855	5.6
258.17108	1.3
271.16904	18.9
272.40353	1.3
289.17941	8.2
313.18042	1.0
345.20483	9.1
363.21625	67.6
433.22162	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	560.379
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	27.0
57.03432	3.8
57.07060	10.2
60.56772	4.5
67.05495	88.1
69.03424	7.3
69.07056	21.4
69.41483	46.8
71.04971	4.4
71.08610	7.1
72.11243	3.7
79.05491	54.7
81.03411	7.2
81.07052	100.0
83.08597	18.1
85.02894	6.4
91.05462	31.7
93.07039	69.2
95.04964	11.5
95.08598	81.1
97.06506	7.4
97.10139	6.2
99.04436	6.6
105.07016	25.7
107.04992	4.0
107.08578	44.7
109.06581	4.2
109.10143	50.0
113.54402	4.2
117.07013	11.6
119.08580	16.9
121.10141	45.1
123.11707	14.0
124.06727	3.8
131.08554	19.9
133.10130	21.4
135.11691	27.9
137.13257	7.4
145.10124	17.5
147.11690	17.9
149.13254	16.6
149.14302	4.4
151.14740	4.3
157.10059	7.5
159.11711	13.3
161.13232	13.1
163.14803	11.6
173.01308	4.2
173.13254	10.8
175.14876	5.9
177.16379	4.3
187.14761	8.6
189.16368	6.0
207.12846	4.1
221.71019	3.7
234.24834	3.6
238.80211	4.3
261.25937	5.2
271.24231	11.5
289.25247	91.6
363.28912	13.4
381.29962	23.7
397.27011	5.7
415.28250	4.3
433.29742	6.5
451.30777	5.4
560.35986	5.0
560.44397	5.8
561.37421	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	560.3063
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.9
55.01863	3.0
55.05507	9.7
56.52792	0.8
57.03427	2.9
59.04990	1.7
61.02902	1.4
67.05499	7.6
69.03419	3.1
69.07044	3.0
69.69817	6.6
70.06584	3.3
71.04958	1.1
72.08140	0.9
79.05486	7.5
81.03403	1.7
81.07044	6.5
83.08604	6.6
84.04498	0.9
84.08132	2.1
85.02866	1.7
85.06543	1.0
86.09710	1.1
87.04472	1.3
89.06011	1.3
91.05471	10.4
93.07043	4.6
95.04939	2.1
95.08604	2.8
97.02899	1.4
97.10159	12.4
103.05431	1.1
105.07037	4.4
107.04964	1.4
107.08566	5.8
109.10152	3.5
111.08073	1.5
115.05461	1.2
117.07012	8.1
119.08566	100.0
120.08855	1.3
121.06483	0.9
121.10125	1.5
125.09615	12.2
129.07011	2.7
131.08548	3.5
133.06462	1.3
133.08545	1.2
133.10095	1.9
135.08037	5.8
141.07069	1.0
143.08591	1.8
145.06459	4.1
145.10098	5.8
147.08025	3.9
153.09189	1.1
155.08644	1.2
157.10046	4.3
159.08044	18.2
159.11664	2.2
161.09615	1.6
169.10103	4.0
171.10176	0.9
173.09602	4.1
176.72049	0.8
183.11705	1.3
187.11102	1.3
189.11223	9.6
190.57283	0.8
197.13144	0.8
199.11092	1.0
204.63202	0.8
218.36089	0.8
223.66054	0.8
225.12866	1.0
225.16234	1.9
227.12723	14.5
227.14813	1.3
227.69618	1.0
245.13876	4.4
253.15836	2.7
260.36758	0.9
271.16891	12.0
289.17950	7.3
310.85501	0.9
345.20612	8.3
363.21628	77.0
364.22141	1.1
560.34949	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.3066
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20389	0.9
53.03922	1.0
55.01868	1.9
55.05507	12.7
55.72778	1.0
57.03425	4.5
59.04962	0.9
61.02903	1.9
64.42719	0.9
67.05497	9.9
69.03424	2.9
69.07052	4.4
69.55372	4.3
69.55809	4.9
70.06571	1.4
71.04963	1.4
79.05486	10.4
81.03415	2.1
81.07059	10.5
82.07385	1.1
83.08610	7.9
84.08125	2.6
85.02885	2.4
85.06530	1.0
91.05463	11.3
93.07051	5.4
95.04955	1.6
95.08591	4.7
97.02880	2.2
97.10162	15.0
98.20654	2.0
103.05426	1.5
105.07000	3.7
107.08597	6.7
109.10133	3.9
111.08091	1.7
117.07009	9.5
119.08569	100.0
121.10114	2.1
125.09613	16.8
127.03963	1.1
129.06993	2.0
131.08539	3.4
133.06471	2.0
133.10094	2.0
135.08043	4.9
135.11658	1.2
137.09602	1.5
141.06926	1.3
143.08517	2.9
145.06451	3.5
145.10100	5.0
147.08020	2.1
147.11737	1.3
153.09079	2.2
157.10080	2.8
159.08034	14.9
159.11688	2.2
161.09552	1.2
161.22350	1.0
169.10092	2.8
173.09584	2.2
185.09601	1.2
189.11211	10.9
197.13179	1.1
208.44641	1.0
221.69083	1.0
225.16406	3.0
227.12775	8.4
235.14825	1.3
243.17435	1.3
245.13853	3.7
253.15877	1.4
271.16855	8.4
289.17981	2.2
305.69797	1.1
345.20502	5.7
363.21643	89.0
525.27142	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	560.202
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03918	0.7
55.01843	1.0
57.03400	1.6
61.02888	1.6
64.13941	0.4
67.05469	1.2
68.05011	0.7
69.03423	5.1
70.06586	2.2
70.80991	1.3
71.01352	0.5
71.04972	0.6
72.08138	0.6
73.02882	1.3
78.41134	0.4
79.05488	0.5
79.78197	0.5
81.03381	1.9
84.08116	0.7
85.02470	0.6
85.02895	7.3
86.09673	1.0
87.04453	0.9
97.02892	3.0
99.04412	0.6
105.07039	0.4
109.02846	1.1
116.07055	0.8
121.02776	0.7
127.03873	1.5
128.72665	0.4
134.04607	5.5
135.03017	0.7
145.04961	0.5
149.25047	0.4
152.05673	1.4
158.07138	0.5
165.02301	5.8
167.02667	0.8
167.03955	0.5
173.08279	0.5
175.09778	0.6
181.05418	1.3
182.04945	100.0
183.05115	0.5
184.07356	0.6
185.08185	0.7
190.03145	0.5
194.04964	3.7
200.09256	1.6
201.10057	0.5
203.03345	0.7
205.05396	3.8
215.03819	0.7
216.04623	1.9
219.06940	1.6
221.08447	0.6
224.05992	1.7
225.38014	0.4
231.06990	12.9
248.05872	0.6
248.09647	28.0
266.10684	58.0
267.10947	0.7
269.15561	0.5
279.06427	1.0
291.06589	0.6
295.06046	1.8
296.06427	0.6
305.07974	0.7
309.07642	1.2
311.05389	0.9
314.09146	0.8
321.07449	0.8
322.08182	0.7
325.07104	1.1
333.07239	0.6
337.07031	0.9
345.14651	0.4
347.09164	0.6
363.08850	0.8
380.14011	0.9
391.73047	0.4
398.14886	9.0
409.09317	1.0
410.09668	1.0
428.15964	46.1
429.16467	0.7
482.11743	0.8
534.79358	0.4
542.14056	0.7
560.20215	23.7
560.29211	0.9
561.20819	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.3991
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	28.1
57.03428	14.1
65.03922	4.3
67.05505	88.6
69.07065	26.3
70.00608	25.5
70.01251	4.0
75.67518	3.9
79.05489	100.0
80.00137	5.3
81.03426	7.3
81.07046	81.3
83.04965	13.2
83.08618	13.6
84.23678	4.2
91.05466	62.6
93.07038	90.3
95.04951	17.2
95.08604	50.6
97.06541	9.6
97.10180	6.5
105.07024	65.7
107.04977	9.0
107.08597	35.0
109.06535	7.4
109.10158	16.5
117.07035	16.9
117.51292	4.0
119.08588	33.0
119.74297	4.3
121.06493	5.2
121.10126	23.3
123.08015	6.4
127.07632	4.9
129.06995	19.1
131.08571	16.2
133.10135	15.3
135.11732	12.8
143.08546	13.5
145.10130	17.5
147.11691	41.6
149.13274	10.7
157.10191	5.1
159.11725	10.1
161.13235	11.2
171.11655	23.9
173.13277	5.4
175.14912	4.5
189.12877	6.3
207.13843	19.5
244.71353	5.9
256.26260	4.6
261.22198	14.8
279.16058	5.7
281.17474	57.6
282.44110	4.4
335.25775	28.3
405.42053	5.6
442.08325	5.5
443.70050	6.6
541.38824	61.1
559.31696	6.7
559.39575	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	560.1642
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.9
54.95825	0.4
55.01858	2.2
55.05503	1.3
57.03428	2.6
61.02922	1.8
67.05490	0.9
68.99776	0.9
69.03426	7.3
69.07069	1.4
69.43292	2.8
69.43714	1.1
70.04070	100.0
70.06577	2.3
71.05003	1.9
72.08154	0.8
73.02920	3.0
79.05466	0.8
81.03412	8.8
81.07065	1.2
83.01321	0.5
83.04998	0.4
84.08138	0.4
85.02898	20.8
86.09701	0.5
87.00822	8.4
87.04479	0.5
89.06022	1.2
91.03951	1.0
91.05480	0.6
93.07053	0.7
95.08601	0.9
97.02888	10.8
97.06513	2.5
99.04452	4.2
99.08100	1.2
101.05991	0.4
101.07183	0.4
103.03958	0.6
105.01861	9.2
105.07032	0.5
108.29119	0.3
109.02875	8.3
109.06487	0.5
109.10181	0.7
111.06206	0.4
115.03983	0.4
115.07566	1.8
117.01862	1.4
118.06881	1.2
119.08550	0.5
121.06437	0.4
121.10108	0.6
125.02373	1.1
125.09600	0.4
127.03898	18.4
129.01855	0.9
132.82703	0.4
133.08580	0.9
145.04955	11.1
147.02852	0.9
147.11647	0.5
159.02876	6.8
168.79857	0.4
177.03940	0.5
189.03951	1.5
198.18665	0.5
199.09683	0.7
205.08757	0.4
213.03973	1.3
217.08658	1.4
218.08954	0.6
223.09595	0.8
231.04955	4.8
239.14978	1.2
249.06154	0.9
274.12146	0.7
283.06003	0.5
284.06284	0.7
296.06549	0.6
299.05435	0.7
300.05984	2.2
301.06726	0.5
311.05634	0.6
312.06036	1.0
318.09247	3.4
329.06464	2.7
330.06808	3.8
340.09137	0.8
345.11841	0.5
350.07147	0.4
363.27243	1.0
368.08585	0.9
373.18826	0.6
374.19238	0.5
379.14014	0.3
396.07864	1.1
399.83920	0.4
413.08658	3.4
414.08966	10.1
498.31326	0.5
559.31195	1.3
560.31274	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.1805
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90831	0.7
53.03934	4.8
53.48185	0.9
55.01865	6.0
57.03414	3.4
57.98930	0.9
61.02903	3.7
63.95255	0.9
68.99777	4.4
69.03421	20.1
69.49100	8.3
70.06561	4.6
71.04982	2.8
72.08151	1.0
73.02895	3.3
74.06065	1.1
79.05484	2.1
79.30254	0.9
81.03408	20.2
83.04952	1.5
84.04504	1.4
84.08134	2.3
85.02899	33.8
86.09693	3.7
87.00321	1.3
87.00817	17.1
87.04447	1.2
91.05468	5.0
94.04178	1.8
95.04971	1.5
97.02876	18.8
98.20554	1.1
99.04441	7.3
103.03924	2.8
103.05459	5.3
105.01850	7.8
105.07001	4.1
107.04954	2.7
109.02861	17.2
109.06493	2.8
111.04440	3.0
115.03915	4.4
115.05422	4.4
116.06089	0.9
117.01848	3.0
117.07013	1.9
118.04145	0.9
119.04926	3.3
119.08559	2.0
120.08110	1.3
121.06499	1.8
122.03616	4.1
126.47623	0.8
127.03910	23.9
128.06201	2.5
129.01828	3.2
129.06985	3.7
129.10255	1.2
131.04933	5.1
132.05681	1.9
133.06465	3.7
137.05957	72.5
141.05431	1.1
141.06966	7.3
143.03444	0.8
143.04855	2.1
145.04933	7.2
145.06451	2.4
146.03632	2.1
147.02866	1.9
147.04395	1.8
147.08032	3.7
149.05975	4.2
151.03883	11.2
151.04968	0.8
151.07506	8.0
153.07001	1.0
155.04861	6.5
156.05641	1.0
157.06335	1.4
158.07307	1.0
159.02911	9.0
159.04228	1.4
159.08020	3.9
160.05202	2.0
161.05956	16.2
163.07576	5.0
165.06929	2.0
167.07130	1.0
168.05687	1.6
169.06491	11.1
172.05165	1.7
175.07513	21.7
177.05478	1.2
177.09038	1.2
178.07765	1.0
179.08632	1.0
180.09308	0.9
181.06444	1.3
185.05959	2.2
186.06807	1.7
187.05949	1.7
187.07509	14.3
189.04027	1.3
189.05444	4.2
189.07025	3.4
189.09116	3.1
190.07745	5.8
191.06967	3.5
191.08531	19.2
193.06458	0.9
195.07991	1.6
196.05182	2.6
197.05989	4.3
198.06676	1.2
199.07515	13.3
201.03886	1.3
201.07263	1.2
201.09033	4.9
202.07736	2.3
203.06926	2.4
203.08566	4.3
205.06528	2.3
206.07211	1.4
207.08037	3.7
208.08813	2.7
211.07520	3.2
213.09065	2.1
214.06177	1.2
215.06798	2.3
215.08716	4.8
217.06520	1.3
217.08392	1.4
218.07330	6.5
219.08043	28.9
220.08826	6.5
221.06006	1.8
222.10088	1.1
223.11052	1.7
225.09055	1.7
229.06387	1.7
229.08545	16.3
229.27202	1.1
231.05107	4.4
231.07982	7.2
232.08844	3.8
233.06010	1.2
233.09708	4.9
234.06746	1.8
235.07477	4.5
236.08282	10.2
237.09106	3.7
239.07016	1.2
241.08377	1.4
243.08069	8.1
244.08765	2.1
245.09608	1.2
246.06737	2.4
247.07486	14.6
248.08365	3.7
249.09093	4.5
250.06464	0.9
250.09863	2.5
251.06789	1.2
251.10663	31.4
253.08380	4.4
257.08014	1.6
259.07504	6.9
260.08319	6.8
261.09134	8.4
262.06439	1.1
262.09937	1.7
263.07019	3.6
263.10617	2.1
264.07785	7.2
265.08578	5.4
265.12128	1.4
266.09296	1.4
267.10138	2.4
271.07407	5.8
271.10001	1.2
272.08292	4.4
273.09088	2.3
274.09915	1.7
275.07227	1.4
275.10608	8.4
276.07751	3.8
277.08652	6.5
278.09320	3.5
279.07068	1.4
279.10129	42.4
280.10870	4.0
281.08160	3.4
281.11679	2.7
283.09573	2.4
284.10703	1.2
285.08939	2.1
287.07089	2.0
287.10373	1.2
288.07791	7.8
289.08557	9.6
290.09457	1.6
291.10159	10.7
292.07352	1.1
292.10669	1.6
293.11630	4.6
294.08838	2.3
295.09598	1.4
296.10468	5.1
297.11130	3.9
299.10660	2.8
301.08481	2.8
302.09314	3.0
303.06784	1.9
303.10104	17.7
304.10779	2.5
305.07974	2.6
305.11450	1.2
307.09622	4.0
307.13104	2.0
308.10287	3.0
309.11380	9.7
311.12738	100.0
312.07706	1.7
312.13239	1.0
315.10001	4.9
317.11597	2.5
319.09680	1.7
320.10559	4.6
321.11154	15.2
323.12781	19.5
325.14142	4.6
326.09033	1.4
327.10129	2.0
330.08823	1.4
330.12543	1.0
331.09442	2.3
332.10306	1.7
333.11215	8.4
335.09024	1.8
335.12750	25.6
337.14249	2.6
341.11703	3.2
343.09677	1.6
344.10199	1.3
345.11191	4.4
347.12610	5.1
349.14340	1.2
351.12332	1.6
353.13797	26.8
354.09140	1.3
354.14114	1.1
358.11755	1.1
359.12994	4.4
365.13766	5.6
369.11096	2.5
373.14285	3.6
377.13681	6.7
383.13620	1.1
401.13794	18.2
419.14948	9.0
437.15930	5.0
455.16812	2.0
473.17630	1.2
497.18005	5.1
505.15393	2.0
515.18750	1.5
523.16162	5.2
541.16980	3.9
559.17651	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	558.2948
Annotation	Unknow
Peak:m/z	Relative Intensity
54.16253	1.1
55.05497	2.2
59.96932	1.2
60.08147	3.4
64.02606	1.3
67.05499	2.3
69.07015	1.3
70.22619	5.3
71.07352	3.6
71.91800	1.3
79.05480	1.9
81.03360	1.3
81.07034	4.9
86.09698	22.7
95.08589	4.5
98.21038	2.9
102.38377	1.1
104.10730	100.0
109.10114	1.5
124.07571	4.1
131.04936	1.2
133.25172	1.2
140.32088	1.2
162.95486	1.7
168.36008	1.3
176.89635	1.1
337.27368	14.4
400.53131	1.2
499.22107	26.3
558.29675	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	558.342
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	6.5
67.05496	14.2
69.03417	2.8
69.07065	6.3
69.82561	6.8
71.04968	1.3
71.24908	0.9
79.05487	4.6
79.41782	0.9
80.04994	1.3
81.03414	4.0
81.07048	11.7
83.08611	3.4
85.02888	2.4
91.05471	15.7
93.07036	5.0
94.06568	1.7
95.08589	6.5
97.02886	2.8
99.04401	1.7
103.05479	1.2
104.21439	0.9
105.03379	11.2
105.07012	3.0
106.06540	4.6
107.08570	2.7
109.02873	1.0
109.10167	4.9
114.12734	1.2
115.05480	1.5
117.07021	1.9
118.06535	10.6
119.08573	2.0
121.10114	1.1
123.11708	2.1
127.03905	1.9
128.06229	1.0
129.06967	4.8
130.06523	18.7
130.07428	1.6
131.07295	5.6
131.08444	1.7
132.08054	3.0
133.10130	2.0
134.05991	8.0
137.13281	0.9
141.07018	1.2
143.07303	1.0
143.08572	1.3
143.15129	1.0
144.08078	10.9
146.05978	2.0
147.11603	1.1
149.13240	1.3
150.12907	1.1
155.08546	1.5
156.08054	15.7
157.08850	1.0
158.06009	13.2
158.09634	5.3
164.14336	2.3
167.07272	1.4
168.08025	5.4
169.08855	2.6
169.10197	1.3
170.09631	5.3
171.10327	1.0
172.07622	1.2
172.11238	1.1
176.07007	2.3
178.15907	1.0
181.08812	1.1
182.09650	4.1
184.11211	2.1
196.11345	1.9
198.09076	1.4
200.14261	1.5
202.15825	1.3
214.15930	3.3
216.17339	1.8
218.15404	3.3
228.17566	3.0
238.15927	1.5
240.17487	4.8
242.19014	13.5
252.17613	1.1
254.19049	1.2
256.20645	1.6
256.26389	1.7
263.23810	2.5
282.18521	1.6
378.27982	7.4
392.29916	1.1
396.28992	7.3
416.28186	1.0
420.28711	1.1
434.29120	2.3
438.30072	3.1
444.23819	2.9
452.30127	4.3
458.25092	1.3
498.32404	1.6
504.30832	2.9
508.06720	1.1
522.32098	10.2
540.33197	14.7
558.34253	100.0
559.34570	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	558.2692
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99566	3.5
67.03465	3.1
69.07104	3.1
70.06565	16.1
71.50601	4.0
72.08134	4.1
79.35298	3.6
81.07014	5.1
83.04986	3.3
84.08139	7.2
85.61569	3.4
86.09698	11.3
91.05486	4.4
105.03376	5.3
110.07139	6.1
122.03679	8.5
129.10257	5.5
131.04909	8.3
135.64708	3.8
137.05957	100.0
151.07570	19.7
163.07506	18.3
177.07155	4.0
203.10820	4.9
221.06091	5.0
227.10715	4.5
267.06387	4.9
279.06500	10.4
285.11145	7.0
287.12720	21.5
291.06567	9.9
292.07150	6.2
293.08292	4.6
305.08066	10.1
317.08072	6.0
319.09540	3.7
321.07562	6.6
333.07605	8.6
345.07501	4.9
351.08286	3.7
363.08627	5.4
384.08398	3.8
385.05893	3.8
420.10583	6.9
424.95966	4.0
438.12119	6.9
450.11572	5.3
468.11389	4.3
475.21225	7.1
492.12915	24.9
493.22278	9.8
504.12741	12.6
522.13733	18.4
558.24036	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	558.2693
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07056	6.4
58.06585	1.0
70.06590	23.7
71.08616	3.7
71.75022	1.7
76.39877	1.0
84.08121	1.4
86.09704	1.3
88.07104	1.8
88.07625	26.3
91.05474	1.1
102.09166	15.5
114.59313	1.0
149.02333	51.1
156.17409	1.5
170.99776	1.2
191.64545	1.1
193.04948	59.3
194.05336	1.3
200.20087	57.6
201.20544	1.6
219.06511	1.6
243.55638	1.0
269.04352	1.6
297.03967	2.8
313.07092	4.2
341.06500	12.6
359.07596	6.9
363.74460	1.3
385.09152	56.4
386.09534	1.5
386.28168	1.2
540.25476	1.4
558.26953	100.0
559.27368	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	558.2903
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01849	2.6
55.05513	6.3
57.03431	2.1
57.07058	1.3
59.04981	1.7
61.02915	2.3
63.84558	0.9
66.49812	0.9
67.05481	2.8
69.03416	1.5
69.07063	4.5
69.43349	9.8
70.06573	1.7
72.08143	1.2
73.02894	1.2
75.96492	0.8
79.05470	3.6
81.03394	2.5
81.07051	4.9
83.08609	10.2
85.02859	2.3
86.09663	0.9
89.06017	2.9
91.03922	1.0
91.05468	5.2
93.07031	4.7
95.04961	1.4
95.08609	2.4
97.02866	2.1
97.10154	3.5
98.16797	0.8
103.05450	1.3
105.06435	1.0
105.07026	11.6
107.08562	1.3
109.10130	1.1
111.08054	1.4
113.49748	0.9
115.05446	3.3
117.07010	3.6
119.08540	3.3
127.03868	1.2
129.06947	2.7
129.70378	0.8
131.08534	2.3
133.06487	12.1
133.08597	1.3
133.10136	1.2
135.08026	2.1
141.06950	0.9
143.04901	1.7
143.08473	1.5
145.10094	2.6
147.08023	2.2
147.11559	0.8
155.08562	1.1
155.14310	1.1
157.10080	1.6
157.21143	0.8
159.08000	0.9
161.05962	100.0
161.09605	3.6
173.09622	1.2
189.09052	1.1
223.14833	2.6
236.82925	0.9
241.15834	1.1
251.14333	2.1
259.16977	2.5
269.15387	2.9
271.16873	1.0
287.16406	1.9
305.17444	8.9
328.39505	1.0
339.75467	0.9
343.36691	1.1
361.20053	66.0
361.29449	3.7
403.42645	1.1
431.20602	1.1
558.30341	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.6013
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.5
54.08936	2.1
55.05500	23.9
57.07067	43.2
67.05499	50.7
69.07066	43.5
70.06586	3.1
71.08623	30.8
71.75613	2.7
79.05493	14.7
81.07048	81.5
82.06564	3.2
83.08607	35.3
85.10168	15.6
91.05473	5.6
93.07026	9.1
94.06550	7.9
95.07320	3.4
95.08595	100.0
95.09200	5.3
97.10159	27.2
99.11722	3.4
102.81146	2.2
105.06988	2.8
107.08559	3.2
108.08073	2.8
109.10147	68.0
111.11703	19.2
115.15723	2.3
123.11684	29.8
125.13255	9.8
133.10109	2.8
137.13264	11.4
139.14781	4.3
151.14835	7.7
161.86435	2.9
165.16393	5.6
179.18071	3.2
250.25340	4.2
262.25275	42.6
280.26495	2.5
283.26147	3.4
284.26523	3.6
291.30527	3.9
305.32190	3.7
347.36728	3.2
361.38260	6.5
557.52911	13.1
557.60071	40.3
558.48779	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	557.4003
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13638	5.4
55.05511	8.9
57.07073	100.0
59.04998	36.8
64.59892	6.5
67.05494	7.2
69.07056	9.1
70.04646	6.1
71.08634	66.9
72.05758	9.6
73.02888	8.2
73.06549	13.0
75.41478	5.7
79.36297	5.3
83.08585	5.3
83.92998	6.2
85.00648	5.2
85.10178	54.7
87.04465	13.8
88.71490	5.4
88.72121	5.0
89.06001	15.7
89.86111	6.4
90.01917	35.6
95.08572	6.3
97.10159	7.4
98.21571	8.9
99.11726	8.7
99.58004	5.5
102.37681	5.6
103.07590	12.1
109.10171	5.6
117.09142	8.3
178.07141	5.8
179.44235	5.8
183.17493	7.0
227.26936	7.2
328.15671	6.7
330.49506	6.5
550.62860	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	557.3833
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	5.6
54.96519	1.9
55.01852	5.4
55.05502	24.6
55.18296	1.9
57.03416	7.6
57.07058	4.3
59.04996	2.8
62.30881	1.8
67.05496	46.5
69.07056	22.6
69.40920	2.1
69.83407	15.1
71.04977	3.6
71.17570	2.1
79.05489	39.4
81.03426	4.3
81.07050	52.2
83.04957	3.9
83.08613	11.7
85.06511	2.5
89.06005	4.3
91.05470	45.8
93.07031	38.4
95.04951	7.9
95.08591	30.0
97.06517	5.1
97.10128	6.4
105.07017	37.0
106.07335	2.2
107.04927	7.6
107.08577	21.6
109.06492	4.8
109.10149	12.1
111.08083	2.1
115.05416	2.6
117.07016	19.2
119.08575	30.4
121.06496	2.6
121.10143	13.9
123.08058	4.2
123.11672	3.0
125.09618	4.5
128.06219	5.2
129.05550	2.4
129.07013	16.2
130.07806	3.4
131.08545	32.3
133.06477	2.8
133.10091	19.5
135.08028	3.6
135.11674	8.6
135.85217	2.0
137.09581	2.7
138.01788	2.4
141.06961	9.5
142.07748	4.5
143.08528	24.6
145.06482	3.0
145.10101	29.4
147.07980	3.8
147.11679	13.7
149.09570	5.2
149.13226	5.3
153.06952	3.3
154.07678	4.5
155.08534	19.3
156.09352	2.9
157.10115	27.1
159.07977	2.3
159.11661	17.6
161.09550	2.4
161.13228	10.3
163.11111	2.8
165.07001	4.1
167.08533	9.7
168.09369	2.8
169.10100	25.5
169.61046	2.0
171.11687	23.7
173.09666	2.0
173.13219	11.7
175.14816	5.6
177.12740	4.8
179.08524	3.9
181.10106	11.0
182.10861	3.0
183.11673	14.2
183.91974	1.9
185.13240	18.5
187.11159	3.8
187.14844	5.7
193.10211	4.9
195.11642	12.8
196.12286	2.1
197.13257	11.7
199.11208	2.2
199.14795	7.1
201.16386	2.9
207.11700	4.9
207.13747	6.1
209.13213	9.7
211.14680	10.7
213.16379	8.5
221.13284	4.7
223.14772	8.9
225.16399	3.4
235.14738	4.9
237.16350	6.0
239.18053	2.2
241.19452	6.0
247.16806	2.3
259.20517	12.5
279.15860	3.0
281.17493	9.1
297.21964	4.2
309.22110	2.7
311.23499	2.6
313.21674	3.3
321.22144	3.4
323.23642	4.8
325.21579	2.7
325.25275	2.5
333.24231	4.1
335.23251	2.7
365.24744	2.4
367.26273	2.7
419.33096	2.7
429.31314	7.2
435.32837	2.3
437.34167	13.4
447.32645	27.2
465.33618	32.1
483.34604	21.9
501.35492	2.8
521.36377	11.2
527.37402	2.4
529.39001	11.1
539.37280	100.0
557.38397	53.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.2962
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03918	0.6
55.05500	11.7
56.05027	1.5
57.05813	1.8
58.91338	0.7
62.46979	0.6
69.03420	1.1
69.07062	2.3
70.06583	26.2
70.90231	1.5
70.90603	1.4
71.05003	0.7
71.06927	0.9
72.08145	100.0
74.02434	1.4
79.05475	0.8
81.07050	1.1
83.04929	0.6
84.04501	0.8
84.08129	15.7
84.08635	0.8
85.02869	1.1
86.09692	18.8
91.05457	5.2
93.07050	1.7
95.08598	1.1
96.08018	0.6
98.06051	2.1
99.09204	22.2
99.09828	1.3
103.05458	9.4
105.07025	2.8
106.06515	0.8
111.09179	1.6
116.04987	2.4
117.07012	1.3
117.10247	1.5
118.06522	7.3
119.04982	0.8
119.05831	0.6
119.07330	1.4
120.08088	84.6
121.08492	1.0
126.05511	1.5
127.08659	52.7
127.12292	4.5
129.06995	1.1
129.10307	0.7
130.06505	1.2
130.08633	1.7
132.10187	4.7
136.07504	1.0
137.02364	1.1
146.05994	4.5
148.07541	8.7
148.17401	0.6
157.10121	1.4
167.07097	0.7
167.08484	0.8
167.11900	0.8
172.11235	2.4
173.09178	8.3
174.09467	0.8
174.12759	14.6
174.14165	1.0
188.14343	1.1
200.10687	4.0
201.12375	1.0
204.13811	7.9
204.15536	0.8
218.14137	1.6
219.14897	25.6
219.17032	1.3
219.34331	0.7
228.10254	2.3
231.15053	1.6
232.13362	0.9
236.10666	1.3
245.12833	13.3
250.14336	5.2
265.08685	0.8
270.11276	1.4
277.15472	9.9
282.11304	1.7
305.14963	1.1
311.05606	2.6
323.05396	1.4
325.07257	0.9
327.13409	1.5
337.07175	0.8
351.08862	1.8
376.22247	31.0
377.22818	1.0
407.07800	1.6
411.54730	0.7
425.08609	2.2
426.20129	1.5
475.09723	0.6
479.09497	0.9
528.31940	0.7
557.12634	1.2
557.26398	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	557.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05025	0.3
57.03440	0.4
61.02919	0.6
66.05845	0.3
66.09454	0.3
67.46092	0.2
68.05029	0.4
69.03431	1.2
70.06582	32.0
70.35389	1.0
71.04975	1.2
71.06931	0.3
72.08147	0.9
79.05486	0.8
81.03409	0.4
84.04473	0.4
84.08118	1.1
85.02895	3.0
86.09693	1.0
87.04482	0.2
91.05488	0.5
97.02869	0.9
97.07648	2.5
97.64773	0.2
98.20883	0.4
99.04396	0.3
103.05529	0.3
107.04937	2.4
109.10413	0.3
110.07181	0.4
116.04953	0.4
116.07078	13.7
117.05804	0.4
118.06532	0.6
127.03935	0.5
127.08713	0.3
129.10229	0.8
130.06540	0.5
131.04906	0.9
134.05988	0.3
136.07571	0.3
137.05959	1.1
143.08148	3.3
143.45270	0.2
151.07394	0.2
157.07596	1.1
163.07591	0.4
168.08081	0.5
170.09723	0.4
171.09225	0.3
185.10715	25.0
188.10686	0.5
203.11790	0.5
204.10181	11.4
214.32059	0.3
223.28374	0.2
231.11273	5.5
232.09647	0.3
237.02736	0.3
249.12315	90.8
250.12617	1.1
264.16974	0.3
411.17572	100.0
412.17914	1.9
455.74814	0.3
557.23242	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	557.1196
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99854	1.9
69.96276	3.8
69.96687	3.4
81.03384	1.4
82.99873	3.5
97.02850	3.1
98.21017	4.6
101.00866	21.5
103.02410	1.9
109.01411	2.0
113.00891	4.3
117.04006	3.0
118.57056	1.6
119.01915	65.5
120.01995	1.6
127.02383	7.3
129.03931	3.1
131.01904	26.6
131.82796	1.3
133.03456	2.6
133.19656	1.6
135.05003	4.2
137.02956	8.7
139.02367	2.2
141.03998	2.9
143.00777	1.8
143.01886	30.7
145.03447	71.6
147.01392	3.4
147.05017	2.3
149.02951	5.6
155.01874	21.7
157.03471	12.1
159.05025	23.0
161.02950	43.4
163.04512	18.6
167.01898	7.8
168.05159	1.8
169.03453	45.5
171.01385	4.2
171.05011	11.8
173.02948	35.6
175.04535	1.8
176.68872	1.3
177.06044	3.0
179.01801	2.1
179.03970	1.8
181.03407	6.6
183.05067	3.0
184.04579	2.3
185.02946	53.8
187.04506	100.0
189.02414	18.8
189.06038	3.2
191.04134	2.6
195.01469	2.6
197.02983	18.1
199.04469	15.5
201.02457	1.5
201.06142	3.5
203.03975	18.9
207.03514	3.8
210.06120	5.4
211.04532	14.4
213.02414	17.2
213.05949	3.1
215.00258	2.1
215.03954	12.5
217.05577	2.0
221.05035	4.4
223.04509	4.3
225.02444	4.9
227.04047	9.7
229.05560	7.9
231.03487	28.5
233.01393	2.0
239.03889	1.9
243.03513	6.5
245.05055	85.3
255.03450	2.0
257.01495	9.5
257.05038	4.4
263.06100	14.6
271.06583	20.9
273.04578	3.4
275.02487	71.3
275.06012	11.4
276.02594	1.4
287.02463	28.4
293.03519	23.5
293.07098	8.4
297.04459	2.0
305.03503	27.4
305.07126	9.8
311.04788	2.3
315.05682	6.8
316.05130	2.2
317.03592	4.1
327.73904	1.5
333.06522	4.4
335.04575	32.7
335.08212	4.9
341.03641	6.8
359.04581	27.2
365.09103	6.8
377.05637	62.4
395.06665	82.4
463.69180	1.3
539.11047	10.2
557.11969	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	557.1196
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93495	1.4
58.99852	2.3
69.03426	1.9
70.06585	1.9
70.41170	2.5
70.41539	4.8
74.63276	1.5
74.85770	1.7
76.31717	1.7
82.99851	2.6
97.02886	2.4
98.20844	1.9
101.00866	21.9
103.02432	1.8
113.00880	4.2
117.03988	3.4
119.01910	72.9
127.02390	9.5
129.03967	2.1
131.01895	28.9
133.03497	1.6
135.04988	2.6
137.02913	9.4
141.03979	7.3
142.03506	2.3
143.01878	32.3
145.03447	79.6
147.01393	4.3
147.05049	4.3
149.02943	5.9
155.01860	22.4
157.03458	13.2
159.05025	28.3
161.02948	46.2
163.04518	18.6
167.01848	9.1
169.03450	47.5
171.01430	5.2
171.05034	15.0
173.02951	34.3
175.04533	2.5
177.06111	2.1
179.01918	4.9
181.03389	9.2
183.05057	2.8
184.04430	2.5
185.01257	2.2
185.02946	64.0
187.04509	100.0
189.02448	17.2
189.06078	3.0
191.04031	4.3
197.02950	20.1
199.04539	18.8
201.02490	1.8
201.06104	4.1
203.03990	19.0
204.04349	1.7
207.03459	3.9
208.04668	1.9
210.06146	2.9
211.04483	15.8
213.02434	19.5
213.06001	3.5
215.00304	2.1
215.03961	9.9
221.04997	5.3
223.04533	6.2
225.02487	4.4
227.03937	8.7
229.05507	7.7
231.03496	36.9
233.01460	3.0
239.03870	1.8
243.03548	4.6
245.05061	74.8
251.02574	2.4
257.01453	6.8
257.05066	4.2
263.06073	12.6
271.06665	18.1
273.04581	4.9
275.02484	63.0
275.06027	9.9
287.02420	23.9
291.05417	2.0
293.03513	20.5
293.06985	4.3
297.04633	2.3
305.03500	28.1
305.07068	8.3
311.04880	2.0
315.05664	6.9
316.05106	2.2
317.03436	4.3
333.06662	3.9
335.04541	26.3
335.08145	2.5
341.03491	6.8
359.04572	24.8
365.09317	6.9
377.05630	59.9
395.06671	77.2
411.17368	2.3
437.79828	1.9
539.11194	8.8
557.12012	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	557.0848
Annotation	Unknow
Peak:m/z	Relative Intensity
55.93519	6.3
56.96567	1.0
60.04522	1.1
67.30958	0.9
68.05028	1.0
69.03394	1.1
69.07072	1.2
69.61070	5.9
69.61480	1.8
70.06587	18.9
70.95857	4.0
71.92999	1.9
72.08147	5.9
72.93785	7.4
80.05003	1.1
81.03410	3.6
83.06068	0.9
84.04510	4.4
84.08138	13.8
85.02905	2.2
86.09692	11.6
88.96872	1.3
90.94825	3.3
91.05477	12.7
93.07028	1.4
95.04949	1.5
101.07122	1.6
103.05458	7.3
105.07020	25.5
107.04936	0.9
110.07154	2.6
113.96416	2.0
116.07070	1.2
119.04944	3.3
120.08099	32.6
124.93294	0.9
127.12263	1.6
129.10196	5.4
131.04922	5.4
131.97418	13.7
132.05267	2.3
133.02873	1.4
136.07523	1.6
137.05940	7.3
138.06328	1.6
143.11732	1.3
144.08029	1.3
147.04385	1.9
149.00467	2.0
149.98485	14.4
150.96887	2.0
150.98428	1.9
151.07533	2.2
157.99005	1.4
160.97676	1.3
161.06006	5.0
162.06277	1.7
162.09225	1.4
163.02068	1.3
163.07529	1.7
164.99991	4.2
165.97087	4.6
170.36090	0.9
170.97476	1.2
173.00076	1.4
176.01558	10.0
179.00348	1.3
179.06973	3.5
179.98633	1.2
180.99471	2.8
183.98209	6.1
184.99019	1.5
187.07535	1.3
187.14426	0.9
190.03120	57.3
191.01772	1.4
191.03529	1.1
192.01060	3.6
192.99580	1.8
194.02647	4.8
201.99323	1.9
210.99136	2.2
216.01099	3.9
217.99170	1.2
218.02574	5.1
220.00671	1.4
220.04176	14.6
220.06261	1.7
222.02077	1.2
223.02786	1.1
224.03613	1.5
234.02104	12.8
234.04312	1.3
236.03665	100.0
238.01564	5.2
250.01631	9.7
251.04814	2.4
262.01459	5.6
273.11429	1.0
277.06287	8.4
280.02539	6.1
287.99298	1.2
295.07361	2.4
311.12845	2.2
312.13260	1.6
337.10181	1.5
339.08057	1.4
365.09543	2.3
379.11063	5.8
381.08853	1.6
381.12744	12.9
383.10553	9.8
385.08521	3.1
407.10257	0.9
409.08508	1.4
423.10437	2.1
425.11392	1.7
427.09393	11.7
451.09653	2.8
469.11188	2.7
482.00858	1.3
495.08600	1.2
557.21112	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.4413
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00267	1.4
55.05514	2.4
55.51601	1.3
56.84605	1.1
57.07071	100.0
59.04993	15.9
62.23360	1.2
65.78400	1.3
67.05505	1.9
69.66625	1.3
69.67480	11.3
71.08625	71.6
73.06557	3.4
80.67160	1.3
83.92381	1.1
85.10175	56.8
87.04443	7.2
89.06023	76.9
97.10140	2.3
99.11716	13.5
103.07588	6.9
107.07058	1.3
111.04815	1.2
113.13284	4.3
114.31912	1.3
117.09079	2.1
130.08649	2.4
131.07034	5.5
133.08595	72.4
155.17955	7.6
175.09799	1.8
177.11200	25.4
213.22092	6.4
221.13759	6.2
239.14888	2.5
257.24820	4.2
283.17700	2.8
327.20157	19.3
367.23300	2.7
439.71637	1.3
539.41443	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.327
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.3
54.36264	1.6
55.05510	5.2
55.06783	1.2
56.05041	1.7
57.07068	3.4
65.03963	1.2
67.05499	14.0
69.03423	2.5
69.07063	3.6
71.08628	1.8
71.73269	2.2
79.05505	7.3
80.04987	1.8
81.03423	4.8
81.07053	13.7
83.08637	2.1
85.02908	2.9
85.10178	1.8
85.70410	1.4
85.85669	1.5
89.06031	3.4
91.05472	13.0
93.07035	10.5
95.05024	1.6
95.08614	7.5
97.02900	2.6
103.05431	1.6
105.03395	7.8
105.07043	5.0
106.06564	1.7
107.08616	6.3
109.02879	1.9
109.10149	4.4
117.07011	4.0
118.06540	6.2
119.08562	3.6
121.10134	3.3
122.09609	1.8
123.11719	1.7
123.40086	1.4
127.88964	1.4
129.07008	5.7
130.06471	11.0
131.07343	2.4
131.08560	3.6
133.08598	4.0
133.10143	2.6
134.05988	2.9
144.08116	3.0
145.10106	3.8
145.99023	1.4
147.11757	1.6
155.08583	1.4
156.08061	9.6
158.06036	6.4
158.09627	4.6
159.11696	1.6
167.07368	1.6
168.08080	9.3
169.08896	2.0
170.09676	5.3
172.11209	2.6
177.11269	1.6
180.08253	1.7
181.08853	2.1
182.09720	4.0
186.12993	2.0
194.09607	2.3
196.11234	3.8
198.09232	1.5
198.12801	4.2
198.97456	6.1
200.14438	2.4
210.12796	3.0
212.14371	4.3
236.14258	1.4
238.15952	2.7
240.17500	4.9
261.22150	1.8
283.26358	2.0
306.18533	2.0
339.29184	2.2
376.26263	3.6
387.25705	1.6
394.27420	4.5
436.28418	4.3
450.28555	3.7
456.52142	1.8
463.22064	1.7
464.22299	4.8
496.30603	3.5
520.30841	6.6
538.31958	10.1
556.32751	100.0
556.52496	4.0
557.33344	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.2539
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56175	1.0
52.22348	1.0
55.46470	1.0
69.61279	9.4
70.06577	6.8
72.08126	2.8
79.05479	1.1
84.04478	1.3
84.08081	2.6
85.02892	1.1
86.09710	2.4
91.05468	5.4
94.04144	3.4
100.11236	1.6
103.05449	11.2
105.07006	2.8
107.04939	1.6
109.06490	2.0
115.05463	1.9
117.06971	1.9
119.04924	1.3
119.08517	1.5
120.08063	2.1
121.06504	2.3
122.03660	6.3
129.06984	2.1
131.04903	17.4
131.08531	1.4
133.06477	2.1
135.04488	1.2
137.05963	100.0
138.11269	1.1
141.06973	1.5
143.04996	1.4
144.05685	2.0
145.06352	1.3
147.04411	1.2
147.08032	2.0
149.05965	1.4
151.03889	5.6
151.07530	3.8
152.04262	1.2
155.04828	1.2
159.08049	6.7
160.05202	2.4
161.05959	9.2
163.07535	44.1
175.07535	19.2
176.07906	3.2
177.09105	1.6
187.07521	16.6
188.07970	2.1
189.09047	1.9
190.07759	1.2
193.08574	3.8
199.07504	3.2
202.07703	2.2
203.08556	2.5
207.07867	1.4
210.14833	1.3
219.08017	4.0
220.08731	2.6
221.09602	1.3
231.07953	5.2
232.08792	1.4
233.09665	1.4
235.07571	2.6
235.11104	1.2
237.08958	2.2
245.09644	1.8
247.07495	3.1
248.08250	4.3
249.08990	3.3
251.10704	1.6
257.09543	1.9
259.07492	4.4
260.08194	1.6
261.09030	1.4
263.06863	1.3
263.10626	3.8
265.08618	2.5
275.10663	1.4
276.07797	3.1
277.08621	1.5
277.12045	1.6
279.10025	7.3
280.10751	1.8
291.10074	6.4
297.11057	7.5
297.20178	1.1
299.12723	3.5
305.11798	1.5
308.10117	2.2
311.12686	18.4
312.13165	1.2
317.11749	3.3
323.12723	19.4
335.12708	6.5
337.14175	2.0
341.13724	6.3
349.14307	8.5
353.13849	1.5
381.13425	2.6
382.13400	3.5
413.15726	1.7
414.16205	4.5
473.19513	8.2
491.20474	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	556.2649
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01830	1.1
59.47166	0.5
62.29203	0.4
62.76684	0.5
68.05023	21.2
68.05354	1.1
69.05807	33.5
70.06590	12.6
70.35774	1.7
72.08099	0.7
84.08100	0.9
86.06020	0.7
86.09700	11.5
91.05427	1.5
93.06996	1.3
96.04487	2.4
103.05457	5.3
105.06985	1.3
107.04910	0.6
117.06960	1.0
119.04881	2.0
119.08545	0.7
120.08093	48.9
121.02849	4.1
124.43533	0.5
129.06937	1.6
131.04866	1.7
131.08530	0.9
132.10187	3.3
133.06480	2.5
137.05960	4.2
138.06236	1.4
145.06383	0.7
147.04335	1.1
147.07957	1.5
151.03888	1.3
152.04199	0.5
153.13837	0.6
157.06424	1.5
158.07191	2.3
159.08069	2.8
161.04732	0.8
161.05972	10.0
169.06424	1.0
173.05959	1.0
174.09061	2.3
175.07532	19.3
176.07846	0.6
179.06924	0.6
181.13306	0.9
185.05898	0.7
186.09059	1.1
187.06305	0.5
187.07538	5.1
187.09908	1.1
189.08958	0.5
203.03342	1.5
203.07016	4.8
204.10234	4.0
217.05038	0.9
219.07849	0.9
221.08064	33.2
227.13905	0.9
232.09816	2.6
233.08051	11.6
250.10747	23.5
251.11002	0.6
279.06396	0.8
283.05908	1.6
295.06055	5.3
296.06638	0.7
307.06073	4.3
307.09167	0.8
308.06702	2.1
309.07684	3.7
309.11081	0.9
310.10895	0.6
311.12579	0.5
312.37222	0.5
319.05923	0.9
320.06787	1.1
321.07529	7.0
322.08209	0.8
323.05438	0.7
323.08972	1.2
325.06918	1.5
328.12872	0.7
333.07513	2.2
334.08292	0.7
335.09042	3.3
337.07022	2.7
345.07492	1.7
345.11646	0.5
347.09134	0.9
349.07001	3.4
351.08636	1.3
356.08957	0.5
361.06955	3.0
363.08548	2.5
363.19012	1.5
367.08124	2.0
373.06976	1.1
375.08752	1.2
379.08072	2.2
379.16364	0.8
381.09323	0.7
391.07986	3.2
393.09857	0.7
397.17545	14.6
400.08426	0.9
409.09344	6.1
409.19656	100.0
410.19943	1.4
418.08832	3.0
421.09183	1.5
425.17133	5.4
436.10294	3.7
439.10117	2.3
454.11514	2.6
466.11172	0.9
472.10187	0.9
484.09967	1.0
490.11072	1.7
502.11292	1.6
508.12384	12.4
509.12497	0.7
520.12396	6.4
538.13428	12.9
539.13159	0.9
539.23755	0.7
556.13983	1.0
556.26495	18.0
557.26709	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.2384
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33879	2.6
53.03938	3.0
53.18932	2.0
53.68486	2.4
55.01844	4.7
57.03413	3.2
60.04502	3.2
65.03904	1.9
69.03397	4.9
70.06580	24.2
71.74803	2.2
71.75246	2.5
72.08135	7.6
74.85166	2.0
76.19714	2.1
79.05489	5.4
81.03416	3.2
84.04501	5.6
84.08139	13.5
85.02533	1.9
85.02906	20.4
86.09685	9.0
91.05466	43.3
94.04188	3.5
95.04932	3.2
97.02853	7.7
98.97523	2.3
103.04824	4.1
103.05451	46.7
105.07013	30.6
105.26776	2.2
107.04951	2.5
109.02825	2.6
110.07150	5.1
111.36008	2.7
115.05436	6.6
119.04927	63.8
122.03638	5.1
127.03931	3.6
129.10197	4.2
131.04907	100.0
133.02838	35.6
133.06474	33.3
136.07593	4.0
137.05962	85.1
137.07007	5.4
145.04947	3.9
146.07262	4.0
147.04390	26.5
147.07924	2.8
149.05978	2.7
151.07518	36.4
157.06630	2.9
159.08066	6.1
161.05957	82.2
162.06741	6.5
163.07513	42.7
165.05443	15.2
172.05196	5.8
175.07529	23.0
177.05420	5.1
179.07013	62.9
187.07526	24.6
191.08543	5.4
199.07558	3.1
217.08595	8.1
219.08090	7.7
247.07587	5.4
251.10619	9.8
268.63123	2.5
279.10175	11.1
311.12720	41.5
323.12781	4.8
341.13806	5.6
360.45627	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	556.2383
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02363	1.3
55.01851	2.5
57.03455	1.4
61.02935	1.3
65.03894	1.4
66.52132	1.2
69.03414	1.9
70.06559	2.2
70.99575	3.5
78.17579	1.2
79.05486	4.3
84.08148	1.4
85.02901	5.9
91.05475	31.1
94.04131	1.4
95.04921	3.0
97.02863	1.9
103.05453	44.2
105.03390	6.2
105.07024	19.8
107.04928	4.0
108.69296	1.2
109.06490	8.3
115.05450	5.8
119.04926	48.5
121.06483	4.1
122.03610	1.9
123.08041	3.8
127.03836	2.0
129.06995	1.7
131.04912	100.0
132.05258	1.3
133.02861	8.7
133.06474	21.8
137.05962	81.7
145.06465	2.8
147.04387	18.4
147.07956	2.8
148.64993	1.5
149.05956	6.9
151.07521	20.8
159.08035	2.9
160.05191	1.5
161.05963	82.1
162.06703	5.5
163.07524	51.2
165.05469	4.8
172.05054	1.8
175.07535	18.8
179.07016	23.5
179.08540	1.0
187.07524	12.0
189.09132	3.9
191.08572	1.5
193.08568	4.0
205.08557	10.6
217.08554	4.9
219.08168	3.0
220.08755	1.3
223.00891	1.2
231.08025	2.2
235.09622	3.8
247.07445	2.6
251.10616	5.5
263.10605	1.8
279.10199	4.7
290.64142	1.3
291.10104	4.3
309.11240	8.9
311.12766	11.9
323.12720	4.8
329.13818	3.4
331.22592	1.2
341.13983	7.0
359.14838	1.4
449.14142	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.2383
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03911	2.5
55.01867	5.4
56.68592	2.1
59.57868	2.1
61.02895	3.0
63.89489	1.9
66.74715	2.0
69.03429	8.2
69.41644	11.4
69.42068	10.9
70.06590	10.6
71.04984	2.6
72.08150	3.1
79.05477	2.8
81.03405	2.8
84.04498	4.2
84.08144	4.7
85.02899	22.3
86.09705	5.2
89.36734	2.3
91.05468	34.9
94.04144	3.1
95.05019	2.3
97.02880	5.5
101.07118	2.2
103.05460	43.1
103.06091	3.9
105.07027	24.2
107.04969	4.9
109.02822	2.5
115.05445	5.5
119.04933	54.4
120.05258	2.1
122.03633	5.0
127.03913	6.6
129.10170	2.5
131.04916	100.0
133.02835	21.0
133.06474	27.0
137.05965	99.3
145.04959	3.3
147.04399	22.6
149.05937	6.1
151.07544	32.2
157.06451	3.8
158.97374	4.2
161.05960	62.4
162.06776	4.7
163.07524	52.6
165.05478	11.0
175.07480	20.9
177.05502	3.0
179.07025	62.1
187.07512	22.3
189.09123	8.8
191.08601	5.0
193.08598	3.1
203.08684	3.0
217.08630	9.6
219.08156	4.9
232.07025	3.0
234.99022	9.0
235.09651	8.5
251.10677	8.4
252.99799	2.5
263.10422	7.2
279.10056	14.2
291.10193	10.1
309.11282	4.5
311.12759	37.5
313.14493	3.3
323.02121	5.3
323.12766	11.9
329.13766	6.1
341.13803	7.5
394.19693	3.5
470.17166	3.4
512.18243	12.7
556.16986	21.4
556.24658	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	556.2384
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88971	1.1
51.91284	1.1
53.03936	1.9
55.01852	3.0
69.03416	2.3
70.06576	4.8
70.99383	4.5
79.05476	2.7
81.03394	2.4
84.08083	1.4
85.02912	9.5
91.05469	24.5
95.04951	3.2
97.02882	3.2
98.44027	1.3
103.05450	40.6
105.03362	3.8
105.07013	15.5
107.04945	4.6
109.06501	5.7
115.05436	2.9
117.07001	2.0
118.04139	1.5
119.04932	35.7
120.08095	1.4
121.06486	3.0
122.03616	5.1
123.08015	3.2
127.03915	2.4
128.06250	1.7
129.06995	3.2
129.10199	1.2
131.04909	86.1
133.02821	4.1
133.06491	14.3
137.05959	100.0
143.04913	2.4
145.06406	2.0
147.04398	11.5
147.08003	2.2
149.06009	6.8
151.07535	17.9
153.05423	2.9
157.06454	6.1
159.08052	2.5
160.05145	1.7
161.05962	55.8
162.06680	6.0
163.07524	48.7
165.05466	3.1
175.07533	15.4
179.07018	16.8
187.07494	14.0
189.09061	11.2
191.08565	2.5
193.08556	4.6
203.08575	2.5
205.08600	8.9
217.08575	11.1
219.07970	4.1
231.07988	3.8
235.09601	17.2
236.08186	1.6
237.00912	1.4
247.07512	3.7
248.08307	2.9
251.10628	3.0
263.10663	2.9
276.07782	2.0
279.10159	6.7
291.10110	12.1
296.10352	1.7
302.55609	1.4
309.11209	7.9
311.12756	12.3
314.86890	1.3
323.12701	14.1
329.13666	8.6
341.13684	11.8
350.85583	1.6
359.14673	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.3371
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	5.6
55.01853	12.2
55.05510	25.5
57.07070	5.6
67.05489	24.2
68.05013	14.3
69.03424	19.8
69.05800	12.4
69.06732	4.1
69.07059	34.0
70.06583	39.2
71.04979	9.5
71.73331	8.6
72.08147	19.7
79.05478	13.8
81.03400	14.6
81.07047	70.7
83.04963	7.3
83.08589	11.6
84.04523	4.4
84.08128	9.3
85.02892	13.4
85.06532	23.2
86.09693	11.1
91.05478	15.3
93.07044	46.9
95.04417	4.1
95.04963	51.6
95.08595	50.7
97.02843	4.3
97.06503	34.0
97.10155	20.6
99.04448	4.8
99.08053	7.1
103.05447	8.1
105.07027	24.0
107.04939	4.7
107.08594	39.6
109.02848	13.9
109.06499	8.4
109.10150	28.5
110.60729	4.2
111.08068	51.7
111.11672	5.5
112.08711	5.0
114.10254	19.6
119.08548	29.7
120.08089	29.5
121.10120	32.2
123.08076	10.0
123.11671	26.3
125.09595	6.4
127.03862	5.1
130.79678	4.1
131.04901	5.6
131.08569	8.2
131.63548	4.0
133.10106	19.2
135.07996	4.4
135.11700	25.6
137.05908	6.7
137.09579	9.4
137.13245	5.3
139.11143	14.5
143.08635	4.7
145.10100	9.6
147.11682	17.6
151.11169	9.9
153.12689	4.6
157.10097	5.4
157.12192	5.6
159.11717	9.3
161.05949	9.0
161.13223	13.3
165.12726	12.1
169.09735	14.9
169.12273	4.8
171.11661	6.1
171.13837	6.5
174.09164	8.6
177.16431	4.7
183.13660	4.8
187.10893	4.3
187.14783	5.5
189.16360	9.7
190.08507	5.4
192.33864	4.0
203.06993	15.2
207.17276	6.1
217.15811	7.2
220.09691	19.7
230.65921	3.8
235.16872	39.5
243.59625	4.1
249.12340	12.9
251.20078	6.0
253.18008	55.9
285.22092	4.1
286.13120	3.8
295.13300	3.9
303.23160	22.5
312.05942	10.7
313.14056	8.0
313.18015	3.9
321.24139	26.9
339.25122	9.8
375.18762	4.3
396.19080	5.8
397.21982	8.8
408.21207	39.1
415.23309	28.1
417.08438	4.9
424.18341	5.4
435.09195	10.8
453.10098	13.9
465.28412	5.4
471.10956	14.6
475.32336	4.3
483.29556	11.3
489.45715	4.4
555.27802	100.0
556.27838	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	555.281
Annotation	Unknow
Peak:m/z	Relative Intensity
68.04684	1.5
68.05022	21.2
69.05435	1.7
69.05806	32.1
70.06216	1.3
70.06590	24.7
71.29653	1.4
71.29972	1.0
72.08139	2.1
84.04482	0.7
84.08125	2.2
85.02889	1.7
86.09690	11.0
87.09297	0.9
88.03959	0.9
91.05464	3.5
93.07020	1.4
96.04477	3.1
98.45729	1.0
103.05457	7.4
105.07010	1.2
108.16457	0.9
110.07174	1.0
117.07050	1.2
118.27367	0.9
119.04906	1.5
120.08093	54.1
121.06493	2.3
122.06839	0.9
123.04401	1.4
128.06224	1.2
129.07025	1.1
130.06546	1.2
131.04897	5.3
131.08546	1.1
132.05287	1.4
132.08105	1.5
132.10161	2.5
133.06496	4.0
134.06009	2.0
136.07559	7.0
137.05989	1.4
145.06487	2.5
147.04388	1.5
147.07938	1.0
149.05988	2.5
157.06450	3.9
158.07243	2.4
159.08017	4.9
160.07497	1.0
161.05959	32.9
163.07573	2.3
169.06479	1.4
170.09821	1.1
171.08067	3.2
174.09126	23.1
177.05418	4.9
178.05852	3.3
181.13339	2.1
185.05965	1.6
185.09596	3.1
186.09131	5.8
187.09904	3.4
189.09093	1.8
190.08647	3.0
190.12344	1.3
196.66208	0.8
202.12241	5.2
203.07004	45.8
203.11739	5.8
204.07448	1.5
215.06984	1.0
219.14882	1.9
220.09666	47.5
221.10098	0.9
227.13921	2.5
232.09676	18.3
233.57695	0.8
248.12816	2.1
249.09744	1.1
249.12323	23.4
265.15369	6.4
295.12936	5.1
347.40598	0.8
362.20688	12.1
378.18225	3.2
396.19116	16.4
408.21262	100.0
409.21786	2.9
411.19080	8.3
424.18649	8.1
442.19812	1.3
458.17514	1.0
488.58795	0.9
510.26089	2.6
527.28589	1.6
537.27063	3.7
538.25604	0.9
542.38739	0.9
555.28021	34.8
556.28577	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2774
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03913	0.5
55.01868	0.7
55.05494	1.5
67.05475	1.3
69.03413	1.3
69.07058	1.5
69.58723	2.7
69.59134	0.9
70.06572	2.1
71.04993	0.4
72.08141	0.8
79.05467	1.1
81.03394	1.2
81.07037	2.0
83.04971	0.7
83.08623	1.0
84.08146	0.8
85.02877	1.3
86.09705	1.2
91.05490	1.7
93.07031	1.8
95.04953	1.3
95.08599	2.0
95.25668	0.5
97.02879	1.0
105.07021	1.6
107.08595	1.5
109.02864	0.8
109.06499	0.8
109.10152	1.1
110.07166	0.5
110.97457	0.5
115.78600	0.5
119.08546	1.2
120.08083	1.0
121.10116	0.8
123.11737	0.8
127.03900	0.6
131.08589	1.0
133.10115	1.0
135.08017	0.7
137.06006	0.8
137.09610	0.5
143.08556	0.6
145.04948	0.5
145.10144	0.6
147.11710	0.6
157.10123	0.7
159.11731	0.5
167.07108	0.7
173.09518	0.5
175.11252	0.5
187.11095	0.5
189.09010	0.5
267.52124	0.5
393.22433	3.0
400.44598	0.5
414.26462	1.3
427.19464	0.8
467.22330	2.3
485.23712	2.8
537.26703	3.9
555.27722	100.0
556.28058	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2221
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.2
55.01866	1.4
55.05517	0.6
61.17054	0.6
65.03927	1.3
68.05019	6.2
69.05806	10.2
70.06586	13.7
71.76322	0.9
72.08143	2.8
79.05488	2.1
81.03432	0.6
84.08131	2.1
86.09705	5.2
91.05466	5.5
93.07027	1.0
95.04963	2.6
96.04451	1.1
103.05461	56.0
104.05821	0.9
105.07020	12.8
107.04961	1.7
110.07173	0.7
111.04443	1.5
115.05467	3.2
117.07002	0.8
119.04954	4.0
120.08097	18.6
121.06511	1.3
123.04409	1.1
125.06004	0.8
129.07014	0.8
129.10249	1.2
130.04150	1.2
130.06551	0.7
131.04921	100.0
132.05235	1.8
132.08046	0.8
133.06483	10.2
136.07588	3.0
137.05965	13.1
143.06018	0.9
144.05775	1.1
145.06459	2.3
147.04401	4.9
149.05968	1.8
150.06747	0.8
151.03882	2.2
151.07483	1.3
153.05493	2.1
157.06476	1.2
158.07339	0.7
159.08038	2.6
160.05179	2.3
161.05974	32.4
161.09567	0.7
162.06770	5.1
163.07535	29.3
164.07872	0.9
165.05479	0.8
172.05159	1.3
173.06108	0.8
173.09534	0.7
174.09137	7.5
175.07509	5.2
177.05461	1.2
177.09081	0.8
178.07758	0.7
179.07019	2.0
182.52579	0.7
185.05885	0.8
185.09436	1.1
186.09160	1.5
187.07524	5.5
188.08107	1.0
189.09113	1.2
190.08595	1.1
199.07578	0.8
202.12256	3.1
203.07010	17.4
203.08894	1.1
205.08615	2.2
217.08624	1.2
219.10077	0.6
219.14857	0.8
220.09668	13.9
227.13788	1.0
232.09680	6.3
249.12331	7.7
252.18060	0.6
265.15448	3.7
267.10114	1.0
280.94931	0.7
285.07166	0.8
285.11017	0.9
295.09610	1.1
295.12897	1.7
297.11243	1.0
307.09506	1.0
309.11200	2.5
311.12790	1.3
312.05783	1.0
315.12827	0.6
321.11395	1.0
327.12408	2.2
339.12091	0.9
358.13812	1.0
362.20758	2.9
378.18146	0.9
383.19824	0.7
396.19138	4.7
408.21274	36.8
411.18893	3.6
424.18658	2.6
435.08978	1.0
453.10248	1.9
471.11136	1.3
510.25403	0.9
537.26813	1.2
555.13666	1.0
555.28113	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	554.4623
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82372	1.8
55.05501	2.4
57.07072	100.0
59.04996	38.9
64.58698	1.9
69.07072	3.6
69.42458	23.5
71.08626	70.4
85.10174	66.7
89.06008	14.2
97.10183	3.2
99.11731	8.3
101.09649	3.6
103.07625	3.4
113.13287	2.3
117.09121	16.9
133.07747	2.2
133.08528	12.3
137.75485	1.9
155.17944	7.8
160.91660	2.1
191.12813	4.0
209.13869	2.6
213.22092	18.8
267.18069	3.6
271.26367	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	553.4304
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03411	2.5
57.07067	100.0
59.04993	23.2
71.08248	4.6
71.08620	68.2
71.76488	3.9
83.08640	3.4
85.10175	55.7
87.04433	7.6
89.06021	61.3
93.07024	2.7
99.11708	11.1
104.10753	2.8
107.07046	2.9
117.09125	5.0
133.08606	33.3
155.17871	4.7
170.31044	2.6
177.11188	10.5
192.56364	2.7
259.71729	2.6
283.17517	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	554.3167
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	5.6
57.03425	1.3
57.07058	1.6
64.75642	0.9
67.05481	1.9
69.03426	2.9
69.07059	10.5
70.06574	1.0
70.85455	2.7
72.08135	1.1
74.83225	1.0
78.12250	0.9
79.05465	4.7
80.06815	0.8
81.07049	8.4
83.04981	0.9
83.08620	7.8
84.04470	1.0
84.08156	1.2
85.02901	13.3
85.03690	0.9
88.04848	0.8
91.05483	2.5
93.07039	13.7
95.08605	26.9
97.02880	3.6
97.10156	4.3
105.07008	3.3
107.08581	40.0
109.02876	1.0
109.06459	1.1
109.10150	7.7
110.07188	1.0
120.65865	0.9
121.10131	58.5
122.80524	0.9
123.11700	3.7
125.09662	1.3
127.03921	2.2
127.50143	1.0
135.11688	14.1
136.89978	0.8
137.13235	18.3
137.14189	1.6
139.11174	2.2
145.04944	6.7
146.92303	1.0
149.13237	4.4
163.06027	5.0
175.07492	1.0
177.16368	100.0
178.16682	1.2
195.17412	26.2
429.11682	1.0
522.18164	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.277
Annotation	Saucerneol A
Peak:m/z	Relative Intensity
71.76077	8.5
82.20267	5.1
94.20687	5.5
103.43823	5.5
116.85042	4.9
121.31369	5.1
243.73441	5.7
244.72203	7.4
331.19733	6.4
553.27704	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2977
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05524	0.4
55.43728	0.3
63.92457	0.3
69.59570	0.8
69.59982	2.2
81.07058	0.5
93.07030	0.6
95.08565	0.4
124.75196	0.4
142.54973	0.3
157.04770	0.6
185.04222	1.5
201.03688	0.7
259.07852	1.9
275.07462	0.7
301.08957	0.6
312.10455	0.4
329.11514	0.4
330.11780	1.1
331.09976	4.0
345.11475	1.0
359.13031	0.7
373.14648	1.0
391.24490	0.5
401.17764	0.5
415.19516	1.0
454.46484	0.4
455.22348	0.5
479.66895	0.4
483.22247	1.5
535.27557	0.5
545.28711	0.4
547.58606	0.4
553.29803	100.0
554.30139	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	553.322
Annotation	Lanceolitol B2
Peak:m/z	Relative Intensity
53.03931	6.2
55.01871	5.2
55.05505	28.8
57.03431	9.9
57.07070	5.1
57.17871	2.8
61.02918	4.8
65.03934	5.6
67.05497	35.4
68.83201	3.2
69.03423	22.5
69.07066	30.9
70.06587	18.9
71.04978	17.1
71.14204	3.0
72.08150	6.8
75.04487	3.3
79.05484	29.3
81.03414	9.8
81.07050	100.0
83.04967	17.6
83.08623	11.7
84.04513	4.3
84.08131	7.2
84.94133	2.9
85.02908	22.5
85.06540	16.9
86.09710	6.7
91.05482	32.9
93.07037	76.9
95.04951	19.0
95.08599	88.2
97.02886	6.4
97.06522	17.7
97.10169	5.5
99.04505	3.0
99.08097	7.6
101.06042	3.7
105.07030	47.0
107.04935	4.1
107.08582	66.6
109.02847	7.6
109.06518	22.0
109.10160	42.8
109.25516	3.0
111.08071	21.6
113.09608	5.8
117.06996	10.3
119.05003	3.7
119.08571	56.2
120.08120	4.7
120.08931	8.0
121.02815	4.1
121.06511	7.0
121.10134	64.2
123.08081	13.6
123.11680	23.3
124.07519	3.3
125.09630	22.9
127.03886	8.6
127.07558	4.4
129.06973	5.3
129.10162	3.7
131.04962	5.4
131.08583	13.9
133.06480	4.8
133.10124	31.8
135.08029	8.8
135.11679	43.7
137.05948	10.6
137.09613	18.4
139.07564	6.2
139.11159	12.9
143.08566	4.8
145.10115	29.1
147.04410	6.9
147.11684	32.6
149.09628	7.0
149.13243	13.2
151.07558	4.1
151.11179	12.9
153.09129	10.2
153.12802	6.2
155.10655	4.7
157.08604	19.8
157.10147	10.1
159.11711	18.0
161.05980	6.4
161.09616	4.9
161.13249	13.2
163.11160	17.7
163.14784	6.9
165.09102	10.6
165.12767	8.4
167.07065	4.1
167.10669	28.8
169.12233	9.8
171.10219	4.5
171.11639	7.0
173.13260	11.2
175.07547	5.8
175.11102	3.8
175.14839	24.9
176.15195	7.9
177.12758	6.6
177.16339	5.0
179.10570	4.4
181.12193	15.1
183.13725	4.0
185.11731	20.7
185.13226	5.8
187.07306	3.3
187.14830	11.3
189.12726	4.4
191.14296	7.2
191.21582	2.9
193.15833	3.8
199.13283	6.4
201.11288	4.7
201.16380	7.2
203.14346	8.7
203.17908	3.9
205.15810	3.0
207.13760	4.2
215.14447	3.1
215.17891	6.6
217.19614	3.4
219.13722	3.6
221.15425	6.6
225.14716	4.3
227.17885	6.2
239.16496	11.7
241.89052	3.5
245.08199	4.9
245.19055	7.7
255.21071	6.6
257.17535	4.1
257.22800	3.6
263.20239	5.9
271.20572	5.4
273.21960	8.1
275.23663	4.9
281.21109	4.1
283.20636	6.4
286.12466	3.3
289.21756	9.1
291.23343	5.4
301.21576	28.9
307.22626	10.4
319.22592	38.5
325.23737	11.7
326.10941	3.6
327.29276	3.9
337.23651	45.4
345.14340	18.1
348.68466	3.5
355.24823	28.4
373.25891	5.9
481.27921	5.5
553.23425	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	553.0566
Annotation	Unknow
Peak:m/z	Relative Intensity
68.36926	1.9
71.73958	4.1
120.33133	2.4
123.13686	1.9
168.92128	3.3
182.61122	1.8
186.93155	7.8
192.93018	2.5
209.95781	2.3
210.94070	100.0
228.94189	9.3
239.47722	2.0
246.95345	6.8
256.65631	2.4
257.30469	1.9
270.95297	7.6
288.96301	3.3
372.98376	3.3
381.07965	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	553.1908
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	12.1
55.05505	8.1
57.03423	4.9
58.39633	2.8
65.03931	4.2
67.05497	13.6
69.03419	11.4
69.07050	13.4
69.73946	4.7
69.74350	20.5
70.06580	23.7
72.08127	10.2
73.02911	4.0
73.81679	2.8
79.05470	9.9
79.33932	2.9
81.03405	14.8
81.07050	30.5
83.04960	7.3
83.08642	3.7
84.04494	3.4
84.08134	6.0
85.02900	19.9
86.09689	15.4
87.00796	4.4
91.03969	4.2
91.05473	97.8
91.06042	5.1
93.07043	18.5
95.04957	9.1
95.08588	18.8
97.02882	12.7
97.06541	4.8
97.10158	6.7
98.20644	5.3
103.05450	5.2
105.06336	6.3
105.07020	100.0
105.07726	5.5
107.04927	6.4
107.08589	13.1
109.02870	8.7
109.06511	5.2
109.10127	9.6
109.84673	3.1
115.05436	11.8
117.06989	7.1
117.79726	3.2
119.05005	3.4
119.08564	10.3
120.08144	8.2
121.02838	10.1
121.10143	9.8
123.11699	5.8
125.09663	4.2
127.03910	12.7
129.06984	7.0
131.04887	4.5
133.06519	8.0
133.10139	10.3
135.04385	4.7
135.08052	6.5
135.11678	9.5
136.07576	6.2
137.05969	12.3
137.09579	4.1
139.03896	4.4
139.11163	4.0
143.08557	5.3
145.06413	3.6
145.10123	10.3
147.04388	9.5
147.07988	3.9
147.11717	4.5
149.13220	5.3
151.03874	4.3
157.06393	3.3
157.10094	7.3
159.11646	6.8
161.05980	6.3
161.09570	5.3
161.13254	4.7
163.03931	7.9
163.11108	4.6
164.01695	6.4
165.09050	4.2
167.07040	4.9
169.10097	4.5
173.05894	4.9
175.03955	4.7
175.07507	4.1
181.04961	4.5
181.06531	3.4
189.16298	4.4
197.00778	7.0
205.04918	12.2
213.12842	4.0
217.04951	7.4
221.09702	3.8
229.04865	5.4
247.05901	5.7
261.11783	4.9
271.05872	4.0
283.09589	4.0
295.09573	5.7
305.25006	3.6
307.09604	5.0
313.03357	9.5
313.10876	6.4
319.09775	4.3
325.10678	7.8
331.09512	4.7
337.10620	14.0
339.42450	3.3
343.09857	4.9
349.10626	13.2
361.06351	4.6
361.10544	10.2
367.11707	19.7
369.24820	3.9
379.11719	23.1
385.12567	13.9
391.11316	9.5
397.12720	12.5
403.11874	18.6
409.12619	3.9
415.13937	16.4
416.07458	4.9
421.12814	14.1
432.05417	4.1
433.12747	18.7
439.14188	6.0
445.12741	9.1
450.06335	10.1
451.13367	16.1
463.13821	12.0
469.14899	5.3
481.14957	5.6
553.08984	46.8
553.22437	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	552.4019
Annotation	LysoPC(20:0)
Peak:m/z	Relative Intensity
52.62767	0.4
54.61286	0.4
56.05026	1.3
57.07063	2.8
58.06578	1.2
60.08155	15.5
62.38356	0.4
67.05480	1.2
67.64087	0.4
69.07053	1.7
69.61216	3.3
71.07363	6.2
71.08624	2.0
81.07047	1.3
83.08616	0.6
85.10174	1.1
86.09693	44.3
95.08580	1.8
98.98450	3.2
100.89907	0.4
104.10727	100.0
123.11658	0.7
124.99985	25.9
143.01065	0.7
184.07317	97.3
193.35864	0.5
238.04742	0.5
258.11023	1.6
278.52536	0.4
369.33640	0.9
374.76160	0.6
527.53729	0.5
534.39026	6.4
552.40179	35.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.3293
Annotation	Unknow
Peak:m/z	Relative Intensity
53.61137	0.2
54.08630	0.2
55.05495	0.7
56.05023	0.8
57.03423	0.3
57.07069	0.2
58.06608	0.8
60.08158	9.4
63.04588	0.2
66.45917	0.2
66.83629	0.2
67.05496	0.8
69.03418	0.3
69.07058	0.6
70.06581	0.5
70.38728	0.2
70.39073	0.8
71.07368	3.9
72.08144	0.2
79.05463	0.3
80.66380	0.2
81.03394	0.3
81.07029	1.0
83.04948	0.3
83.08608	0.5
84.08109	0.3
85.02871	0.3
85.10153	0.4
86.09695	36.2
89.06035	0.4
91.05457	0.6
93.07034	0.6
95.08584	0.4
98.98458	3.8
104.10729	32.4
107.08593	0.4
108.80389	0.2
109.06485	0.3
109.10172	0.4
119.08592	0.3
121.10168	0.3
124.99988	22.3
130.04871	0.2
133.08624	0.2
133.10124	0.4
140.85410	0.2
143.01057	0.4
145.04918	0.2
150.09218	0.2
162.02190	0.2
165.12778	0.2
182.87766	0.2
184.07320	100.0
185.07684	0.7
224.20166	0.3
240.72678	0.2
251.44333	0.2
258.11005	0.3
283.85651	0.2
351.25287	0.2
449.49161	0.2
534.31848	3.4
552.32977	11.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.3291
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42372	0.3
55.05502	1.2
56.05024	1.5
57.03428	0.4
57.89763	0.3
58.06578	1.5
59.07361	0.5
60.08157	16.7
60.89250	0.3
62.44632	0.3
67.05498	1.0
69.07050	0.8
69.84725	1.9
70.06576	0.6
71.07368	5.9
71.07752	0.4
71.08608	1.1
72.08145	0.4
79.05482	1.1
81.07038	2.1
83.08617	1.0
84.08179	0.3
86.09697	49.3
87.10024	0.4
91.05472	1.1
93.07041	0.9
95.04919	0.3
95.08611	0.7
98.98454	4.6
99.08081	0.3
104.10730	100.0
105.07024	0.9
105.11038	0.7
106.90273	0.4
107.08577	0.8
109.10185	0.4
111.08060	0.3
119.08580	0.7
121.10079	0.4
123.11689	0.4
124.99986	29.5
140.34294	0.3
143.01021	0.5
147.11671	0.6
184.07323	93.9
185.07658	0.8
258.11044	1.2
286.99426	0.3
534.25500	0.2
534.31860	8.1
552.32916	33.7
553.33325	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
69.51257	0.9
69.51675	3.0
70.06580	0.9
79.05483	0.5
81.52283	0.5
91.05480	0.6
93.07050	1.9
94.06561	1.9
95.07334	1.5
96.08127	3.8
106.34083	0.4
108.08112	3.1
110.09675	7.1
118.06533	0.6
120.04469	2.8
120.08077	3.7
122.06042	1.0
122.09631	0.6
123.06875	0.5
124.07607	1.2
136.07538	2.9
137.05954	0.9
138.09140	8.0
146.05995	1.0
148.07562	1.0
150.05264	0.5
150.09117	0.7
152.07092	1.0
152.10658	0.7
166.08623	8.2
169.38710	0.5
176.08693	0.4
182.11847	0.5
194.08131	0.7
196.09778	0.6
197.10716	0.7
209.10780	0.9
211.08669	0.5
211.12296	1.0
212.09375	0.7
213.10303	0.8
220.09995	0.4
221.10889	0.5
223.08675	1.5
223.12292	1.3
224.09459	0.6
225.10191	3.3
226.11084	0.9
227.11789	1.2
233.10782	0.7
235.08641	1.6
236.09428	0.6
237.10178	7.3
238.07851	0.4
238.11008	1.9
239.08197	1.3
239.11768	3.3
240.12488	0.6
241.09828	0.7
245.12872	0.8
248.09386	1.4
249.10213	5.8
250.11040	1.8
251.08185	3.4
251.11763	5.8
252.08902	0.6
252.12653	1.3
253.09711	5.8
254.10516	0.5
255.11314	0.8
261.10229	3.1
262.11002	0.7
263.11774	3.2
265.09708	9.9
265.12778	0.4
266.10452	1.4
267.11279	5.2
268.12033	0.7
269.09335	0.6
269.12836	1.0
271.10770	1.9
277.09616	2.7
278.06805	0.4
278.07849	0.4
278.10571	3.7
279.07730	3.7
279.11295	10.4
280.11969	1.8
281.09204	2.9
281.12866	1.6
282.10022	1.3
283.10739	6.0
283.13965	0.6
285.12338	0.9
287.13812	1.1
289.09671	5.8
291.11258	1.7
293.09265	1.8
293.12851	3.6
294.09979	5.3
295.10812	3.4
295.13864	0.7
296.11542	2.3
297.09064	0.5
297.12384	1.4
298.09415	0.5
299.10352	1.8
306.09836	0.9
307.10770	2.1
308.11545	1.0
309.09235	0.7
309.12357	3.4
310.13223	1.0
311.10254	6.4
311.13901	2.1
312.11136	2.8
313.11771	1.5
314.12704	1.7
317.09259	0.6
319.10858	0.5
321.08734	0.8
321.12497	0.6
323.10287	1.1
323.13940	1.5
324.11127	1.7
325.11795	1.7
326.12616	4.9
327.13354	7.6
335.10233	6.5
336.10559	0.5
337.11786	1.0
339.13367	50.1
340.10309	3.1
340.14032	0.7
352.10471	1.2
353.11328	0.6
354.12054	4.2
355.12848	15.6
367.12854	34.6
368.13498	0.9
386.14630	0.6
387.15549	1.0
408.18912	0.5
418.17514	0.5
451.20645	1.0
460.18668	1.1
479.20578	1.8
488.18155	13.2
489.18826	0.5
492.21469	7.1
502.19406	0.6
520.20764	100.0
521.21051	2.8
538.21729	0.6
552.23218	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	551.4245
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	6.8
55.05507	15.7
57.07068	9.3
65.03932	4.8
67.05501	31.6
68.56379	2.1
69.07064	15.9
69.70584	17.5
79.05493	25.6
80.24842	2.1
81.06604	3.4
81.07051	39.4
83.08622	8.2
91.05474	46.1
93.07034	63.4
95.04951	8.6
95.08598	44.0
97.10146	2.8
98.20757	4.9
103.05472	5.5
105.07018	79.5
107.08583	53.4
109.06493	3.6
109.10141	31.8
117.07012	21.4
119.08574	100.0
121.10128	36.0
122.01762	2.2
123.08044	4.9
123.11690	10.3
128.06210	9.8
129.06976	10.0
130.07770	10.7
131.08557	33.5
133.10109	46.3
135.11662	25.7
141.06979	6.6
142.07770	17.5
143.08546	26.4
144.09317	7.3
145.10121	55.6
145.72469	2.9
147.11662	18.1
149.13306	5.3
150.65550	2.5
153.06973	3.6
155.08546	10.0
156.09358	13.1
157.10126	31.7
158.10905	5.2
159.11696	22.6
161.13268	6.9
165.07028	4.2
167.08574	5.9
168.09294	3.8
169.10091	14.8
169.38924	2.6
170.10910	9.4
171.11688	21.1
173.13263	17.1
175.14853	25.9
179.08537	9.6
180.09369	3.4
181.10130	10.1
182.10878	7.1
183.11668	16.1
184.12486	4.2
185.13278	11.3
187.14787	8.5
189.16344	3.8
193.10172	8.7
194.10860	5.2
195.11708	11.5
197.13182	11.4
198.14061	2.4
199.14809	8.2
201.16423	8.5
206.10904	2.9
207.11661	8.7
208.12457	3.0
209.13272	11.1
211.14836	8.0
213.16444	4.7
220.12250	2.9
221.13358	6.5
223.14807	4.1
225.16425	2.4
233.13205	3.0
235.14771	6.1
237.16435	6.3
247.14986	2.9
259.14886	2.8
261.16428	2.7
275.18033	2.3
551.42328	18.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.282
Annotation	Gln Phe Glu Lys
Peak:m/z	Relative Intensity
55.05518	0.7
67.05484	2.1
69.07051	1.2
71.73365	0.8
72.08150	0.7
79.05475	1.7
81.03395	0.8
81.07035	2.3
83.04955	0.7
83.08621	0.9
83.36588	0.5
85.02899	0.6
86.04309	0.5
91.05468	2.1
91.32914	0.5
93.07047	1.5
95.08619	1.6
97.02863	0.6
97.10153	0.7
100.33807	0.6
104.95593	0.6
105.06988	1.2
107.08593	1.0
109.02870	1.0
109.06483	0.6
109.10120	1.0
119.08583	1.3
121.10136	0.7
127.03937	0.9
129.06970	0.7
131.08546	1.1
145.10101	1.1
159.11781	0.7
163.11166	0.6
165.41710	0.6
182.06622	0.8
265.40997	0.6
331.10028	1.2
389.22702	1.2
389.27121	0.8
418.38480	0.6
468.04221	0.8
551.28210	100.0
552.28168	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2825
Annotation	Gln Phe Glu Lys
Peak:m/z	Relative Intensity
55.05511	0.7
67.05504	0.7
68.32545	0.3
69.07050	0.4
70.06577	0.4
70.08550	0.6
70.08955	0.9
79.05471	0.7
79.19622	0.3
81.03413	0.3
81.07047	1.1
81.64553	0.2
86.09747	0.4
91.05464	0.9
93.07017	0.6
95.08597	0.3
104.10778	0.4
105.07027	0.5
107.08601	0.4
109.10148	0.3
123.08031	0.3
259.11057	1.1
314.00900	0.3
331.09836	0.4
333.19080	1.2
375.20270	0.3
389.23120	1.7
529.45392	0.3
551.28198	100.0
552.28436	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	551.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57185	1.4
53.03926	4.3
55.01868	2.6
55.05490	5.5
65.03951	1.4
67.05492	4.6
69.03426	5.7
69.07048	2.4
70.06590	8.3
71.04987	6.6
71.74362	1.5
71.74756	1.5
72.08134	4.6
79.05484	10.1
81.03412	24.1
81.07043	7.4
83.04947	2.3
84.08122	2.7
85.02883	5.3
85.06549	1.3
86.09667	2.5
91.05467	9.5
93.07040	32.1
94.95313	1.2
95.04947	4.3
95.08604	2.8
97.06506	4.6
99.04440	13.4
105.07015	46.9
106.07346	1.6
107.04933	3.5
107.08580	37.6
109.02863	17.2
109.06503	4.4
110.07104	1.4
111.05550	2.4
111.08105	2.3
117.06996	7.6
119.08556	16.3
120.08080	3.2
121.06499	37.4
121.10130	34.0
123.05555	3.2
123.08068	2.3
127.03920	4.0
128.07103	1.7
129.07025	1.6
129.08438	1.3
129.10188	3.5
130.07756	4.1
131.08531	5.4
133.06444	2.7
133.10112	2.4
135.04404	3.5
135.08040	19.8
135.11696	8.5
137.02312	4.7
137.09592	1.8
141.06584	2.9
143.08481	2.0
145.04918	1.5
145.10118	50.7
147.04370	1.6
147.07819	1.0
147.11676	6.4
149.05974	4.1
149.09602	27.6
151.07494	1.6
161.02325	1.2
161.05916	2.6
163.07472	1.7
163.11169	77.1
173.09592	7.8
173.13213	2.5
174.13603	2.9
179.29884	1.1
181.12213	14.0
189.01755	1.7
191.10651	100.0
193.08560	2.3
195.02766	1.1
203.03473	1.6
207.02910	1.5
209.11711	30.0
209.13541	2.4
227.12766	35.8
310.04593	2.2
311.05432	7.4
323.05338	6.0
324.06140	1.6
325.06982	3.4
335.14871	1.9
337.07056	5.3
339.08606	1.2
341.06415	6.0
349.07101	4.6
351.08768	3.6
353.06552	6.9
353.15915	37.7
353.20218	1.6
361.07080	2.5
365.06451	5.0
367.07962	2.8
371.17126	16.0
371.21747	3.0
377.06409	4.2
379.08063	3.8
389.06531	2.7
389.17932	2.0
391.08066	1.5
395.07520	8.0
407.07553	6.9
413.08917	5.8
421.08945	1.3
425.08752	8.9
443.09586	5.0
449.08627	5.3
461.09058	2.7
467.09741	2.6
479.09845	3.9
485.10760	6.1
497.10623	15.4
515.11761	9.2
515.19641	1.8
551.27893	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.212
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.4
55.01863	3.4
57.28630	0.7
60.04511	0.9
69.03422	1.4
70.06581	8.6
71.06922	0.7
71.75862	1.3
72.08138	3.3
79.05489	8.3
83.08867	0.8
84.04485	2.0
84.08135	4.4
85.02911	1.0
86.09708	5.7
89.03902	1.5
90.04699	1.4
91.05474	6.1
95.04958	2.7
97.02879	1.0
103.05459	22.5
105.03416	1.1
105.07019	69.8
106.06590	1.0
107.04941	2.8
109.02856	1.0
110.07135	2.4
115.05440	16.2
116.52074	0.9
117.66872	0.8
118.04158	10.4
119.04923	2.6
120.08108	2.4
129.10208	2.0
130.04160	1.4
131.04915	17.1
132.05692	1.2
133.02834	2.5
133.06479	61.9
135.04369	1.2
135.08012	1.2
137.05954	4.8
143.04955	1.9
143.06038	3.2
146.03595	1.2
147.04372	3.5
148.05176	6.5
151.03906	4.4
161.05965	100.0
162.06633	1.8
163.03923	1.1
163.07512	11.9
167.07004	2.0
173.05936	1.9
176.04695	1.8
177.05453	1.5
178.06230	2.1
179.07024	1.5
191.07016	63.7
192.07336	1.0
193.08592	37.5
201.05482	1.5
210.05827	1.2
220.26463	0.8
222.70285	0.8
264.61841	1.0
313.40988	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1909
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86215	0.5
52.57636	0.5
53.03926	1.1
55.01865	1.5
56.05043	0.6
57.03432	0.5
61.02926	0.7
61.39248	0.5
65.03929	0.9
69.03411	2.7
69.46716	3.2
69.47143	2.5
70.06590	5.1
72.08138	1.8
73.02879	0.6
79.05492	1.1
81.03418	3.5
84.04476	1.0
84.08121	2.7
85.02888	4.1
86.09710	3.4
87.00805	1.3
91.05485	3.8
93.06979	0.7
94.04162	0.7
95.04958	1.1
97.02872	1.3
99.04454	1.2
102.05522	0.5
103.05460	1.8
105.01863	1.3
105.03352	0.6
105.07001	2.1
107.04929	1.1
109.02863	2.6
110.07165	0.7
111.00790	0.6
111.04378	0.7
114.11908	0.6
115.05437	3.3
117.01822	0.6
117.03400	0.7
117.07017	1.9
119.04920	2.8
120.08098	1.8
121.06492	1.5
122.03628	2.3
127.03896	3.1
129.10237	1.0
130.04140	1.3
131.04918	3.2
133.06474	1.3
136.07515	0.8
137.02354	1.1
137.05968	31.8
138.06361	1.0
143.04904	0.9
145.02878	0.9
145.04924	0.8
145.06471	5.1
146.03575	0.8
147.04385	1.9
147.08023	0.7
149.05928	2.3
151.03867	1.8
151.07526	0.8
153.01848	0.8
153.05467	1.0
153.06859	0.7
158.03632	6.1
159.02873	1.3
159.04350	0.7
160.05171	1.3
161.05963	7.7
162.06697	1.1
163.03787	0.5
163.07501	2.0
165.05504	0.8
165.06964	1.2
167.07013	4.6
167.08260	0.8
173.05971	12.2
174.06677	0.9
175.07570	3.6
177.05583	2.8
178.07770	0.6
179.07164	0.8
181.06412	0.7
185.05928	1.3
186.03119	4.5
187.07518	1.3
189.05464	2.5
191.07043	1.5
194.07227	1.4
195.08026	1.4
201.05452	100.0
202.05730	1.2
203.03415	0.6
203.07030	1.9
204.04131	2.2
204.07628	0.6
205.06380	1.3
206.07213	0.6
207.06494	1.6
211.07692	0.7
213.05508	3.4
216.04541	0.6
218.07257	0.9
219.06456	9.9
221.06114	0.9
222.06801	0.8
223.07579	1.1
225.09058	1.0
225.90625	0.6
229.04936	1.2
231.06517	8.8
233.05995	1.0
234.06674	0.9
235.07585	0.6
236.08037	0.6
237.09123	1.2
239.07086	0.7
240.07870	0.8
245.05937	0.6
246.06685	0.7
247.07530	1.4
248.08205	0.6
249.05380	0.9
249.09225	1.5
250.06261	1.1
250.09900	0.8
251.06966	0.9
253.08658	1.0
261.09085	1.6
262.06213	1.1
263.06976	1.4
264.07794	0.7
265.08643	4.2
267.10312	0.7
269.08047	1.5
273.05646	0.7
273.11136	1.4
274.06345	1.0
275.06992	0.8
277.08557	2.3
278.05807	0.7
278.09323	0.9
279.06744	0.8
279.10184	0.9
282.08887	0.8
283.09573	2.0
284.10492	1.1
285.11185	2.3
289.08713	1.1
293.07718	0.9
294.09201	0.6
295.09671	1.4
297.11166	3.9
303.04962	27.5
304.05252	0.8
307.09671	1.5
309.11163	2.4
315.12253	3.5
316.07193	0.9
317.08151	1.4
319.09103	0.6
321.11139	0.6
325.10696	2.5
335.09164	1.2
337.10684	1.2
340.12979	1.3
349.10712	5.2
353.10086	2.1
355.11728	1.1
358.14139	1.8
361.10721	2.9
367.11761	1.2
379.11850	3.0
391.11740	1.2
409.12701	0.7
473.16068	3.3
485.15836	2.4
503.16904	4.2
515.16956	1.0
521.17737	0.8
533.18280	6.5
551.19031	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1907
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	12.8
55.05496	3.3
65.03940	3.7
70.06579	5.8
71.24976	6.8
79.05476	8.9
83.62342	2.3
84.08155	2.7
91.05460	18.1
93.03422	2.5
94.04163	4.9
95.04929	4.7
102.04671	3.8
103.05452	27.3
103.45036	3.0
105.07046	4.2
107.04942	9.1
110.52622	2.6
111.04443	6.8
115.05431	6.6
119.04937	10.7
121.06449	4.4
122.03669	3.4
123.04365	2.8
124.05181	3.2
130.04140	7.9
131.04910	100.0
131.05887	6.1
133.02832	17.5
133.06468	4.4
135.04387	8.4
137.05966	44.6
139.03874	4.7
145.06442	4.7
146.03610	3.7
147.04433	21.5
149.05986	11.8
150.06744	9.1
151.03905	8.4
151.07538	5.4
153.05440	12.0
160.60583	2.8
161.05977	14.3
162.03131	7.3
162.06737	14.9
163.03957	3.5
163.07535	73.1
165.05481	10.0
165.07013	14.7
166.07816	3.5
167.07037	9.9
167.08382	2.6
171.04305	4.1
175.07544	4.7
176.06181	3.8
177.05467	13.1
177.06932	6.0
178.07751	7.5
179.08511	7.0
180.05652	2.8
181.06505	4.3
185.05983	8.4
187.07582	3.8
189.05453	4.4
189.07027	4.4
190.07784	3.9
191.08588	6.1
192.05704	4.1
193.06424	12.5
193.39310	2.6
194.07257	6.8
202.07813	4.1
203.06908	13.8
204.05663	3.9
205.04951	32.8
205.06560	10.7
206.07300	6.4
207.08107	5.6
208.08743	2.5
209.06012	5.1
210.06726	5.0
210.14821	3.9
211.07489	8.1
215.07010	12.9
218.07259	6.2
219.08051	9.5
220.05127	5.3
221.05922	22.0
221.09505	3.1
222.06711	15.9
223.07539	5.9
225.09048	3.8
227.06990	3.9
232.05235	5.0
233.05905	15.2
233.07986	3.0
234.06754	7.6
235.07503	17.3
236.08322	11.1
237.05397	8.1
237.09061	8.3
238.06216	5.9
239.06947	17.3
245.06042	3.9
246.06815	5.8
247.07529	18.4
248.04674	7.9
248.08269	7.0
249.05463	40.6
249.09099	6.6
250.06158	13.4
251.07088	10.3
252.07890	3.4
253.08542	4.6
254.09396	3.7
255.06448	3.2
259.07562	6.2
261.05563	7.9
261.08978	5.2
262.06189	13.2
263.07059	23.5
264.07816	23.5
265.04880	6.6
265.08585	19.2
266.05774	8.5
267.06537	9.1
267.10193	2.9
274.06009	3.0
275.07028	23.1
276.07819	10.5
277.05212	4.3
277.08643	12.5
278.05865	5.9
278.09329	4.9
279.06564	5.6
279.10074	7.2
280.07288	9.3
281.08069	11.6
282.05219	7.7
282.08807	12.5
289.08566	4.7
291.06497	8.3
291.10184	9.4
292.07303	18.1
293.08038	41.2
294.05225	4.9
294.08774	4.7
295.06168	6.3
295.09341	5.2
297.07581	18.8
297.10931	5.5
298.08105	2.7
303.06451	5.0
304.07358	4.6
305.08081	12.1
307.06317	5.1
307.09607	32.6
308.06586	4.4
309.07532	10.1
309.10953	6.3
310.08325	7.0
313.10742	4.5
317.07990	3.7
319.09766	12.8
321.07523	9.2
321.11078	5.4
323.09106	11.5
323.55688	2.8
325.10690	38.0
335.09036	29.8
337.10736	21.0
338.11432	5.7
339.12421	7.9
341.10165	43.9
351.12201	4.7
353.05814	4.9
353.10147	96.7
354.10889	6.2
391.11679	8.2
473.15469	3.4
483.14371	6.4
485.15961	9.6
497.15775	18.4
503.17358	3.4
515.16937	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	551.1391
Annotation	Kurilensin B
Peak:m/z	Relative Intensity
53.03923	2.8
54.23257	1.8
55.01865	7.8
61.02910	6.4
67.05482	2.1
70.06567	4.7
70.87645	4.1
70.87995	2.8
79.05517	2.5
83.01331	2.3
85.02911	3.2
86.09752	1.9
91.05449	4.5
93.03393	3.5
97.02882	3.1
104.65235	2.3
107.04946	4.5
107.08585	2.8
109.02829	3.6
120.08012	1.9
121.02848	4.2
135.04407	11.7
137.02335	40.1
137.03383	3.8
143.04980	2.2
147.04399	3.1
151.03877	2.0
161.02338	7.7
163.03905	2.9
175.03896	2.0
176.01183	2.1
184.28444	2.0
187.03914	3.4
188.32254	2.2
189.01831	7.9
189.05426	4.2
191.03368	4.6
195.02913	9.5
203.03389	17.3
203.13029	1.9
205.04939	3.4
207.02885	9.7
215.03418	7.7
217.04962	7.6
219.02875	4.2
221.04468	7.8
223.10756	2.4
227.03329	3.7
229.04845	3.3
231.02837	3.4
233.04457	5.6
241.04805	2.9
245.04338	3.2
255.02672	2.2
269.04498	2.2
271.06091	2.8
273.04144	2.5
281.04474	2.4
284.06790	4.9
295.06085	5.6
297.07751	4.3
299.05463	7.7
300.06265	2.8
308.06738	4.6
309.07501	6.9
310.04721	16.0
311.05469	61.0
311.09109	4.3
312.06210	6.5
313.07098	7.0
321.07462	3.2
323.01941	4.1
323.05490	51.0
323.08972	3.3
324.06250	18.4
325.07050	20.6
329.06363	4.1
333.07535	5.9
335.05533	4.5
336.06323	7.2
337.06976	50.2
338.07733	7.7
339.08679	7.7
341.06522	48.5
345.07568	6.3
349.07059	26.4
350.07791	6.4
351.04959	2.5
351.08606	20.6
352.05609	3.8
353.06476	46.1
355.08261	4.3
361.06940	17.5
363.08539	6.7
365.06540	40.1
365.10373	1.8
366.07291	2.8
367.08188	22.8
371.07709	6.2
375.08466	5.5
377.06461	32.5
379.08151	26.7
383.07431	8.9
389.06424	16.9
389.23636	3.4
391.08139	11.9
395.07532	67.3
396.07938	3.1
401.08926	2.8
403.08096	7.5
407.07553	60.3
409.09131	3.4
413.08624	46.0
415.07874	2.9
419.07593	12.1
421.09097	8.6
425.08636	69.0
431.07956	9.3
433.09259	10.1
437.08612	6.3
443.09747	50.8
449.08734	30.4
461.08984	24.0
467.09723	36.2
479.09802	21.3
485.10715	62.4
485.16071	1.4
486.11093	3.3
497.10764	100.0
515.11859	69.9
533.13098	22.3
551.13104	9.6
551.29449	3.8
558.68054	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.139
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77792	1.9
55.01857	8.5
61.02917	5.1
65.51551	2.0
68.99738	2.4
69.03443	2.5
70.06588	9.2
70.80954	7.5
72.08144	4.9
79.05481	2.5
81.03414	4.6
81.07045	2.3
84.04469	2.3
84.08138	3.5
85.02906	2.9
86.06032	1.9
86.09699	2.1
91.05467	4.0
93.03409	2.4
93.07069	2.5
95.04951	3.5
97.02885	3.0
104.07113	2.6
105.06999	4.5
107.04922	3.9
109.02845	2.9
110.07173	1.6
111.24084	1.6
119.04914	2.4
120.08017	2.0
120.57196	1.6
121.02847	3.7
121.06521	3.2
123.04377	1.6
127.03976	3.0
129.06902	2.0
129.10161	2.2
131.04936	2.7
133.02771	2.7
133.06528	3.0
135.04422	9.6
137.02327	39.6
137.03358	3.6
141.06625	2.0
147.04407	2.8
159.04395	3.0
161.02362	6.6
161.05991	4.4
163.03868	2.5
165.01900	3.0
171.04330	2.6
175.03961	3.1
175.65166	1.9
177.01788	4.4
179.03317	4.4
186.36792	1.9
187.03815	3.2
189.01834	8.5
189.05537	3.0
191.03333	8.5
191.06975	2.1
193.08560	2.3
195.02901	8.5
201.05434	2.0
203.03316	13.4
205.04915	2.4
207.02895	9.3
209.04434	1.8
213.05481	2.3
215.03354	7.9
217.04950	6.7
219.02837	5.2
221.04353	4.0
227.03395	2.6
229.05052	4.1
233.04466	6.7
243.02890	2.9
245.04390	4.6
255.02974	3.5
261.03943	2.6
273.03809	2.7
279.17868	2.0
283.05927	3.8
284.06790	2.9
287.05438	2.2
295.05991	6.3
296.06778	3.2
297.07483	5.0
299.05365	5.3
300.06360	2.8
307.05927	3.1
308.06805	4.9
309.07590	4.6
310.04694	15.8
310.07870	3.2
311.05478	61.8
312.06177	6.6
313.07007	7.6
321.07733	3.3
322.08179	3.0
323.05487	50.2
323.08755	2.5
324.06281	16.3
325.07053	19.1
333.07419	4.2
335.05478	8.5
335.09006	2.0
336.06186	9.6
337.07043	45.0
338.07758	5.7
339.08511	7.1
341.06540	47.8
345.07455	6.5
349.07068	34.2
350.07669	5.5
351.04776	2.7
351.08569	16.5
352.05551	3.8
353.06540	60.4
355.07993	3.7
361.06976	18.9
363.08551	7.5
365.06516	43.7
365.10678	3.7
366.06982	2.5
367.08099	27.2
371.07498	8.3
375.08408	4.3
377.06476	29.7
377.10617	2.1
378.07242	2.8
379.08090	26.7
383.07635	7.7
388.23260	5.9
389.06573	16.1
389.23468	7.7
391.07977	11.5
395.07581	72.4
403.08093	9.6
405.09561	5.1
407.07571	60.5
409.09436	4.4
413.08673	49.3
415.07797	4.1
419.07651	10.3
421.09109	2.0
425.02890	3.8
425.08615	69.5
431.07571	10.7
433.09393	9.2
437.08698	7.3
443.09799	46.0
449.08685	26.1
461.08978	22.6
467.09671	28.5
479.09723	26.9
485.04288	3.3
485.10727	36.2
497.10779	100.0
498.10944	4.5
515.11804	62.2
516.11932	2.3
533.12860	12.3
551.28931	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	550.3944
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	57.6
55.85420	7.9
57.07053	29.9
67.05486	57.3
69.03416	10.5
69.07056	73.0
69.51292	95.6
71.08622	32.3
74.09670	10.2
78.95354	9.1
79.05479	31.9
81.06631	13.6
81.07038	74.6
83.08608	49.3
85.02903	17.4
89.42288	9.9
91.05473	10.0
93.07027	47.4
95.08601	86.9
97.06502	14.6
97.10133	29.1
105.06997	10.7
107.08598	26.7
109.10156	36.9
121.10147	35.1
123.11692	18.8
135.11664	33.5
145.10123	12.8
149.13220	17.7
160.82443	8.6
261.25793	27.2
279.26794	100.0
324.27362	10.9
333.03992	9.0
353.30505	68.8
371.31769	12.8
423.31439	11.0
441.31830	10.6
487.49237	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	550.3067
Annotation	Unknow
Peak:m/z	Relative Intensity
54.74630	0.6
55.01854	1.0
55.05515	0.8
61.02908	1.3
69.03426	2.3
70.06589	4.9
70.08776	1.8
70.09189	1.9
71.04989	1.3
72.08149	2.2
73.02911	0.8
73.06551	1.5
81.03424	3.5
84.04493	1.7
84.08131	2.3
85.02903	7.0
86.09711	1.4
87.04460	4.8
89.06020	100.0
91.05482	1.7
93.07062	0.9
97.02885	1.9
99.04453	1.3
105.07021	5.2
106.07367	1.3
107.04978	0.9
107.07060	2.5
109.02890	1.6
110.06062	0.7
110.07146	0.7
116.07098	1.6
121.06568	0.6
123.04484	0.6
127.03883	1.4
128.07060	2.0
130.08655	1.1
131.07051	0.9
133.08588	53.0
133.10170	2.7
134.10466	1.6
140.98888	0.7
145.04985	1.0
147.04398	1.6
161.09607	2.4
162.09961	2.1
163.07610	0.7
163.11150	1.5
164.11499	0.8
177.11212	22.9
189.08984	1.3
190.09505	1.5
195.12059	0.6
206.27553	0.8
207.13882	1.4
208.10532	0.8
208.14262	1.7
221.13927	3.4
239.14919	2.3
265.16434	0.7
283.17499	5.2
311.05389	1.1
321.17297	1.0
327.20129	4.7
371.22723	56.9
406.56366	0.7
550.23492	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.3862
Annotation	Unknow
Peak:m/z	Relative Intensity
53.64696	0.9
55.05507	1.6
56.55351	1.2
56.57828	0.9
58.06596	1.1
58.45713	1.0
58.59160	1.0
60.08155	15.4
67.05486	1.8
69.07040	1.0
71.07360	6.4
71.76351	1.0
71.76731	1.2
77.97205	1.0
81.07052	1.6
86.09697	47.2
95.08592	2.3
98.98450	3.6
100.01584	0.9
100.93298	1.0
104.10732	98.7
105.11068	1.5
124.99141	1.7
124.99992	28.1
148.77217	1.0
184.07327	100.0
185.07654	1.4
192.15863	1.0
199.94884	1.0
202.49225	1.2
306.07245	0.9
307.49921	1.1
388.23404	1.0
532.37744	8.3
550.38611	27.9
551.38385	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.2492
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05016	0.6
60.83717	0.5
69.03408	0.6
70.06579	1.0
70.27090	0.4
74.06106	0.6
74.43684	0.4
77.76772	0.4
79.05502	0.7
84.04501	6.8
84.08147	0.4
85.02898	2.3
86.09700	6.1
87.05576	0.5
91.05461	0.6
93.07063	1.0
95.04935	0.6
97.02873	0.8
98.02480	0.5
102.05508	0.5
103.05460	5.7
105.26987	0.4
107.04946	1.8
120.08096	100.0
121.08426	0.9
126.05503	7.1
127.03923	0.8
130.04990	0.5
131.04921	2.4
138.05484	1.2
138.06538	0.4
141.10220	1.3
145.04938	1.0
147.04399	0.7
149.05989	2.0
155.11769	1.7
163.03848	0.5
166.08630	55.7
167.08905	0.5
168.06665	0.6
174.71190	0.6
183.11337	1.2
186.07574	0.6
193.00224	0.5
200.13921	6.1
204.08678	1.9
220.64110	0.5
228.13441	7.4
347.19211	1.0
390.41010	0.6
546.49237	0.5
550.15411	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	2.2
57.03424	4.2
61.02924	3.1
69.03414	10.0
70.06581	33.5
71.05004	3.4
71.74845	4.2
72.08139	9.1
73.02898	4.4
78.79722	2.0
79.05488	2.5
81.03421	8.2
84.04491	3.4
84.08125	7.8
85.02896	22.0
86.09689	12.4
87.00837	4.1
91.05476	6.4
93.07081	2.5
97.02884	4.9
98.40329	2.0
99.04447	4.8
102.05556	3.6
103.04016	2.0
103.05431	2.9
105.01882	5.0
105.07021	23.3
107.04964	3.4
109.02848	4.2
110.07156	26.4
115.05406	4.4
117.01775	2.4
119.04901	11.2
119.65463	2.2
120.08096	6.1
121.06490	3.6
127.03915	8.4
129.10252	4.7
131.04898	4.3
133.06483	20.1
136.07515	3.0
137.02322	6.0
137.05981	9.4
145.04974	3.3
146.03604	8.1
149.05920	6.9
151.07491	6.6
153.05464	15.5
159.02829	2.6
161.05968	50.8
164.11821	3.5
167.07063	6.7
168.07784	19.7
178.06245	43.0
179.07024	3.7
191.06982	12.0
192.10202	2.4
193.08594	100.0
196.07283	16.0
201.05586	2.5
211.09613	22.5
231.05193	2.1
249.11435	3.0
254.55237	2.1
267.12231	27.7
285.13385	16.0
299.43713	2.9
311.05566	6.3
323.05515	7.9
337.07065	4.9
338.14655	3.4
341.06482	6.0
349.06903	4.2
351.08356	3.3
353.06653	5.3
365.06439	4.7
367.07861	3.5
370.22382	3.4
379.25989	2.4
388.23260	16.5
395.07724	8.0
407.07532	5.5
413.08249	6.6
425.08737	6.1
443.09967	4.0
449.08771	3.3
485.10544	3.7
497.10950	12.3
515.11639	5.7
550.20020	4.0
550.28833	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	549.3264
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	6.1
55.01862	6.2
55.05501	18.7
56.53343	3.2
57.03419	3.1
57.07060	10.4
67.05492	27.5
69.03411	14.4
69.07061	42.3
69.46018	3.1
69.58853	28.5
70.06572	10.7
71.04980	6.3
72.92618	3.2
79.05469	22.4
81.03404	18.2
81.07048	100.0
83.04965	9.0
83.08598	13.4
85.02890	13.4
85.06526	22.9
86.09710	4.1
86.98019	2.9
91.05461	24.3
93.07032	51.8
95.04959	11.2
95.08598	58.7
97.02837	7.7
97.06512	9.5
97.10175	14.8
98.20677	3.4
99.04443	10.7
99.08109	3.4
105.07011	45.1
106.42657	3.1
107.08582	51.7
107.09264	6.1
109.02841	9.4
109.06532	20.7
109.10125	42.8
111.04390	5.6
111.08034	5.8
111.11707	6.2
112.31431	2.8
117.06976	7.8
118.04587	3.7
119.04898	3.3
119.08571	28.4
120.08116	3.6
121.06464	7.3
121.10139	41.5
123.04366	4.6
123.08022	17.6
123.11693	39.2
125.09613	11.7
127.03901	5.2
127.07558	9.8
129.06992	5.1
131.04868	3.9
131.08548	6.9
133.10103	38.0
135.08032	7.3
135.11674	32.9
137.05995	21.1
137.09558	8.7
137.13228	5.4
139.07527	3.3
139.11168	8.8
143.08572	6.5
145.06328	3.6
145.10138	17.9
147.07910	3.5
147.11673	44.2
149.07440	5.5
149.09570	15.6
149.13263	19.2
151.07533	3.8
151.11171	50.9
151.14771	4.2
153.12727	10.1
155.08490	3.8
157.10103	7.2
159.11688	16.8
161.09579	5.5
161.13242	14.8
163.11172	8.1
163.14758	3.7
165.12732	12.7
165.16199	4.2
167.07056	15.1
169.12189	3.9
171.11681	12.2
173.13231	7.6
175.07437	3.4
175.11166	14.6
175.14786	5.7
177.12704	10.7
177.14166	3.0
177.16208	5.2
179.06967	3.8
179.10620	10.0
181.04967	5.7
181.12186	3.9
187.07483	4.2
187.14789	6.1
189.12679	12.1
191.06944	4.3
191.14302	4.6
191.17892	4.6
193.12210	22.4
195.13789	7.9
199.14810	7.6
201.16273	6.5
207.13789	16.7
211.07535	6.8
213.16426	4.0
221.15199	4.2
223.14751	4.0
229.14339	7.6
235.09703	3.7
235.16995	4.5
239.07036	41.3
240.07076	3.4
243.15918	8.8
245.22595	4.1
264.07639	3.6
265.25189	5.4
269.22653	5.2
277.25446	4.5
283.26260	6.7
287.23694	9.7
305.24673	63.7
315.23184	29.1
323.25784	78.5
333.20300	4.4
333.24234	64.5
351.25235	13.7
517.18616	7.2
523.84515	3.8
531.32410	4.1
549.20099	7.7
549.32971	41.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2176
Annotation	Kunzeaphlogin F
Peak:m/z	Relative Intensity
53.03950	2.7
55.05490	1.8
57.03418	3.9
61.02907	2.0
64.32130	1.3
67.05484	2.1
69.03418	11.3
70.06583	6.0
71.04981	9.1
71.72847	2.1
72.08143	2.3
73.02900	2.6
79.05471	6.4
81.03411	27.0
81.07047	4.4
82.55937	1.2
84.08121	2.0
85.02896	9.1
86.09714	3.2
91.05473	13.5
93.07027	6.5
95.04974	4.9
95.08619	2.8
97.02885	3.7
99.04453	27.2
103.05453	2.4
105.07024	100.0
107.04951	1.5
107.08595	4.7
109.02875	23.0
109.06505	2.1
117.05434	1.2
117.07015	1.7
119.04953	1.8
119.08582	10.3
121.06498	5.9
121.10133	2.1
123.08095	5.7
127.03915	4.2
128.06241	3.0
129.06911	1.2
131.08592	4.4
133.06482	7.7
133.10115	75.4
135.11708	3.7
137.05981	1.9
143.08562	8.3
145.04965	4.8
145.10081	7.3
146.07225	3.2
147.08002	2.2
151.07558	7.3
151.11191	3.0
151.99673	1.4
161.09607	89.9
162.69104	1.2
163.11169	24.2
165.09177	1.8
171.08083	3.2
174.06786	1.7
179.10670	21.7
188.03409	1.4
189.09096	42.9
189.12782	3.1
191.14383	2.0
207.10170	20.5
207.13733	10.3
213.07529	3.9
225.11188	4.2
243.08707	5.3
261.09564	3.2
313.12289	1.8
322.08493	1.2
323.14941	5.0
333.13300	1.8
341.15939	11.0
351.14362	15.6
369.15472	13.6
369.19608	2.3
531.20313	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73924	3.8
54.39045	4.4
55.01860	15.4
55.05506	11.2
55.85688	4.4
57.03420	12.6
57.24413	3.7
61.02911	11.8
65.03941	6.9
67.05479	12.5
69.03419	10.0
69.07063	7.5
70.06586	19.5
70.84972	8.0
70.85340	8.3
71.08639	22.1
72.08145	10.4
73.02911	4.7
79.05476	19.3
81.03391	22.9
81.07044	65.6
84.04517	8.0
84.08140	6.0
85.02917	41.3
85.06547	4.6
85.72144	4.0
86.06050	6.2
86.09682	9.8
87.04472	4.3
91.05452	21.8
93.03362	4.9
93.07030	13.7
95.01340	5.5
95.04967	15.8
95.08601	10.7
97.02872	12.8
97.10156	5.3
99.04414	4.4
99.08060	19.5
102.05495	7.5
103.05447	7.9
105.07019	18.6
107.04935	15.5
107.08559	7.4
109.02856	11.7
109.06466	7.1
109.10137	10.1
111.04414	6.7
112.07521	4.4
114.10339	4.6
115.05437	7.5
117.07017	6.8
119.04935	8.5
119.08560	15.2
121.02832	17.9
121.06499	11.5
121.10116	7.9
122.03574	5.2
123.04424	9.9
127.03899	4.6
129.06985	5.0
130.05014	24.1
131.04901	18.4
131.08568	10.1
133.06464	9.5
133.10072	6.4
135.04384	6.7
135.11783	5.5
137.05960	57.1
141.06990	5.3
143.04843	5.9
145.06422	9.4
145.10075	6.2
147.04407	18.4
147.08002	6.0
148.76283	4.8
149.05949	8.4
149.09601	7.1
151.03894	20.5
155.08568	4.1
157.06488	7.6
159.04401	5.8
159.08031	5.8
159.11659	4.6
161.02393	4.3
161.05983	21.0
163.03906	14.4
163.07536	5.1
163.11264	4.6
167.07045	39.2
169.06537	4.0
171.04379	6.4
171.08052	8.0
173.06000	7.8
175.03888	18.7
175.07515	15.0
177.05460	13.8
179.08534	4.2
181.04933	18.2
181.06424	4.1
183.08022	4.7
185.06030	11.7
187.03845	19.6
187.07552	9.3
189.05476	22.2
191.03488	5.4
191.07010	7.2
193.04985	4.7
193.08611	6.7
199.03883	5.1
199.07509	9.9
201.05438	18.1
203.03436	7.1
203.07010	8.0
205.04932	18.0
211.07542	8.1
213.05397	15.8
215.03333	9.7
215.07024	10.3
217.04901	16.6
219.06532	7.4
219.10120	8.0
225.05450	7.7
227.07106	9.8
229.04965	11.6
231.06456	8.0
231.10100	13.6
237.11243	14.9
239.06915	11.1
241.04883	10.5
243.06419	9.5
243.10211	12.1
245.90091	5.0
247.05852	6.6
249.11290	23.1
253.08713	5.6
255.06517	48.3
257.11731	10.0
259.05966	5.4
261.11212	24.2
265.08664	6.1
267.06451	11.1
267.12421	5.4
269.08105	5.3
269.11761	7.0
271.05972	9.1
273.11209	17.3
274.08920	7.6
275.09271	9.9
275.12680	7.9
277.10797	10.9
279.06564	6.6
279.12335	29.4
281.08264	5.2
283.06097	6.9
283.09467	4.8
285.07834	5.3
285.11212	14.3
287.05356	34.8
287.12817	11.5
291.12289	24.3
292.07269	4.9
293.08179	5.6
293.11301	4.6
295.05994	8.3
297.07874	5.8
297.11224	18.0
299.05328	12.2
303.12247	51.3
307.09372	5.0
309.07773	8.9
309.11066	10.6
311.12604	5.3
313.06973	6.5
315.12253	61.3
321.07666	5.6
321.11282	5.1
325.07147	10.2
327.12280	32.0
329.06683	5.8
329.13718	4.8
333.07288	5.3
333.13409	41.8
335.12827	9.3
337.10629	6.1
339.12131	21.8
345.13348	62.2
347.08896	5.0
351.12061	4.8
353.13638	8.8
357.13361	65.4
363.08331	5.0
363.14221	21.4
369.13193	45.2
375.14493	22.2
379.13953	5.5
381.15811	62.0
387.14359	10.8
393.15356	18.9
399.14365	35.8
402.26312	15.3
409.09604	5.2
411.14365	23.5
417.15646	29.3
420.27451	19.0
423.14313	10.9
429.15543	27.1
435.16272	12.5
441.15262	14.4
447.16467	29.4
459.16452	18.2
465.11877	6.4
477.17422	17.3
478.16208	5.4
479.16315	4.8
483.12445	7.6
495.12628	6.2
513.19641	5.8
517.18591	15.3
531.20917	4.3
531.30261	6.2
532.29108	5.9
549.19836	9.6
549.31885	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2116
Annotation	Unknow
Peak:m/z	Relative Intensity
59.27916	6.1
64.16998	6.1
65.03929	11.6
69.92273	19.2
69.92687	24.1
70.06583	27.9
79.05500	11.6
84.08125	11.3
85.21420	6.5
86.09694	12.0
91.05457	40.9
103.05460	10.3
105.07039	12.2
106.04189	7.6
107.04939	20.9
110.03646	9.4
111.04420	23.3
115.05434	10.1
117.36568	7.1
119.04919	26.4
121.06502	12.1
125.05983	18.9
129.06987	7.9
129.10272	7.8
131.04936	13.7
133.06488	16.8
137.05946	52.1
144.05688	12.3
145.06453	13.3
147.04402	15.2
149.05986	18.8
151.03885	7.6
151.07550	18.1
153.05460	67.7
159.08002	17.9
161.06001	30.9
167.07010	100.0
167.08328	8.7
172.05170	9.9
174.06813	13.3
175.07484	32.3
177.05495	11.6
186.06784	8.1
187.07541	37.6
191.06934	9.6
199.07568	7.9
203.06755	6.8
209.08078	18.7
216.07840	12.8
219.08044	8.5
220.08749	9.6
229.08525	15.0
233.09654	13.9
234.06685	7.8
235.07632	13.5
236.08395	10.9
239.07005	12.4
249.09183	13.7
251.10620	11.7
261.09204	10.8
263.07013	9.2
264.07727	11.0
265.08466	11.5
277.08679	14.4
279.10065	15.4
289.08401	8.7
307.09610	51.4
308.10431	9.7
309.11411	10.5
321.11279	10.9
327.12469	8.4
337.10547	11.3
339.12299	63.7
340.12909	17.9
351.12292	15.4
386.04770	7.6
478.16260	9.1
549.20758	27.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1953
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.6
55.01849	0.6
57.03415	0.7
65.03928	0.8
66.04694	0.3
67.60918	0.2
69.03423	2.4
70.06572	0.8
71.04959	0.2
71.24896	0.5
72.08128	0.3
73.02911	1.1
79.05461	0.8
81.03407	0.9
81.07050	0.4
82.04151	0.3
84.08133	0.4
85.02899	3.6
86.09696	0.6
87.04472	0.2
91.05482	1.2
94.04169	1.7
95.04945	0.5
97.02892	1.2
99.04426	0.3
103.05434	1.1
105.07048	0.5
107.04936	1.1
107.31752	0.2
109.02843	0.4
109.06477	0.3
110.03642	0.5
111.04432	0.4
115.05454	1.4
117.07016	1.8
119.04934	0.5
119.08533	0.4
120.08107	0.3
121.06458	0.2
122.03632	6.3
123.04408	0.6
125.05979	0.4
127.03897	0.4
131.04903	1.6
133.02879	0.3
133.06453	0.4
135.04366	0.3
137.05959	100.0
138.06285	0.7
143.04898	3.6
144.05536	0.3
145.04971	0.4
145.06471	2.9
147.04416	0.5
147.08006	0.3
149.05959	0.3
151.03903	4.6
155.06010	0.5
157.06430	0.3
160.05182	0.4
161.05962	1.4
161.07144	0.2
163.07530	1.0
165.05510	0.3
167.07018	10.8
171.04448	0.5
171.06519	1.0
173.05965	4.0
175.07498	2.1
177.05554	0.2
181.04939	14.3
187.07468	1.0
189.05377	0.3
191.07040	3.0
193.08650	0.4
203.06969	1.4
205.08543	2.4
209.08148	0.2
216.10413	0.2
217.08592	0.3
219.08124	0.3
221.08070	0.4
233.08026	1.4
235.09590	3.3
251.07048	0.6
263.09116	0.3
265.08618	0.5
267.06488	2.9
268.07285	0.5
269.04459	0.5
273.09183	0.2
276.07779	0.3
279.06528	0.9
286.04532	0.4
293.08041	0.8
297.07547	3.7
297.10785	0.5
301.06989	2.9
307.09680	0.6
309.07449	0.2
319.09634	0.3
321.07550	1.5
321.11099	0.5
325.10715	0.5
333.07645	0.5
339.12314	0.4
351.08572	1.0
351.12366	0.3
355.11792	0.4
357.13284	17.3
358.13684	0.4
363.08569	0.5
369.13284	0.6
381.09750	0.7
387.09277	0.5
387.14301	9.2
399.10318	1.3
417.11823	1.2
517.18329	0.9
519.18854	0.9
549.19641	42.2
550.20209	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1714
Annotation	Unknow
Peak:m/z	Relative Intensity
64.44687	1.1
70.06582	4.4
70.68101	3.6
70.68454	1.3
72.08147	3.1
72.67189	1.2
74.01990	1.2
79.01523	1.3
81.07037	1.4
84.04505	1.6
85.02890	2.0
86.09699	1.3
91.05458	1.6
96.04442	1.2
97.07722	2.1
113.86668	1.3
120.08098	1.7
121.02884	2.0
126.99059	1.5
137.06102	1.4
139.52556	1.2
188.19499	1.2
191.70642	1.3
197.10789	3.6
198.07864	1.9
198.11453	1.6
199.08667	12.0
211.08653	11.4
211.12318	2.5
212.09363	6.0
213.10193	13.0
214.07414	2.0
214.11024	3.8
224.10838	1.9
225.10225	22.6
226.07370	8.5
226.10892	11.4
227.08194	15.8
227.11678	8.3
239.08101	2.0
239.11760	11.7
240.09004	4.5
240.12576	5.5
241.09665	16.4
241.13345	2.2
242.10501	12.2
251.11786	2.8
252.08662	1.6
253.09705	14.7
254.10515	3.8
255.11295	18.7
257.12836	34.1
265.09631	2.0
267.11261	21.2
267.13870	1.8
268.08926	2.3
268.12033	15.9
269.12897	3.5
271.10770	2.0
280.12152	4.2
281.09293	3.0
283.10706	2.4
284.11603	3.2
285.12347	7.7
286.09583	1.9
286.13086	2.5
295.05661	2.7
295.10724	10.8
296.11514	14.6
297.12424	5.8
300.11099	1.9
309.07251	2.6
311.05353	1.9
313.11789	57.6
314.12549	25.1
315.13278	2.0
323.09103	1.6
325.07138	1.3
338.08087	1.4
341.11343	7.0
342.12100	40.4
351.08157	1.7
355.12683	1.9
373.13931	17.3
374.14273	10.6
387.11295	1.9
393.09171	1.7
409.08908	1.3
411.10345	1.7
417.12582	1.5
429.12601	3.8
433.16028	2.4
443.14740	7.6
455.14423	1.9
457.12213	2.0
471.13974	6.9
473.15393	5.7
489.15015	51.6
499.13712	3.7
513.13098	2.9
517.14526	66.2
531.15503	3.9
549.17120	100.0
550.17157	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	549.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06565	1.9
70.79778	3.6
83.23756	1.3
92.36896	1.3
121.02863	1.7
147.06757	1.7
148.07559	1.6
167.07074	1.3
178.04979	1.5
197.10709	2.7
199.08640	9.3
211.08640	9.5
211.12129	1.3
212.09448	4.5
213.10205	9.6
214.07399	1.6
214.10974	2.7
221.10806	1.6
222.09253	1.2
224.09184	1.6
225.10184	18.4
226.07289	12.2
226.10794	7.3
227.08156	12.3
227.11679	7.1
238.11090	1.4
239.11778	10.9
240.08859	2.9
240.12602	5.0
241.09673	16.7
241.13339	2.8
242.10429	12.7
250.08736	1.2
251.11807	1.5
253.09723	13.8
254.10484	4.2
255.11255	15.8
257.12820	32.9
258.13217	1.6
267.08102	1.8
267.11179	14.0
268.09329	1.9
268.12064	13.7
269.09338	3.2
269.12906	4.6
270.13531	1.6
279.11194	2.1
280.12076	3.1
281.09073	2.4
284.11569	3.4
285.12323	7.4
286.13123	2.3
295.06235	1.6
295.07245	1.7
295.10669	12.1
296.11517	15.6
297.12390	5.5
299.10107	1.7
300.10922	2.2
313.11780	54.9
314.12531	27.3
327.13873	1.4
341.11380	3.5
342.12048	37.1
355.12634	2.1
359.12854	1.3
373.13812	13.5
374.14325	8.2
381.09271	1.8
401.09525	2.2
429.12546	2.8
433.15955	2.9
443.14676	9.3
455.14148	1.6
457.12271	4.2
471.13916	7.3
473.15402	5.9
483.11966	1.9
489.15002	53.5
490.15952	2.1
495.11600	1.5
499.13507	4.1
513.13495	1.8
517.14539	63.3
518.14746	1.8
531.15668	2.8
549.17108	100.0
550.17200	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	549.16
Annotation	Unknow
Peak:m/z	Relative Intensity
59.50835	1.6
61.02905	2.3
69.03426	26.0
69.99812	7.1
70.06595	9.1
72.08145	1.8
79.05471	3.2
82.84774	1.8
84.08144	2.5
86.09685	5.1
91.05479	4.1
93.03383	2.4
98.21340	3.4
104.05347	1.6
107.04967	4.0
109.02854	2.2
119.04903	12.5
120.08109	2.7
121.02847	46.4
121.06470	2.0
129.10167	2.2
131.04865	3.8
133.06506	1.9
137.05959	9.8
139.47827	1.7
145.02823	7.4
147.04381	3.7
157.06573	1.8
159.04385	3.0
161.02361	1.9
161.05954	2.7
167.06990	4.5
175.03979	2.6
177.05428	2.2
179.03343	3.0
187.03799	2.8
189.01810	6.9
189.05510	2.2
190.02477	2.4
191.03400	5.2
195.02826	7.9
199.03889	3.9
203.03363	15.7
205.04877	3.3
207.02888	7.2
215.03398	9.7
215.06929	1.9
217.04936	5.2
219.02884	3.3
221.04411	6.3
227.03386	3.8
229.04929	3.9
231.03040	2.3
233.04402	5.1
239.06898	2.3
243.02859	2.3
245.04405	5.0
263.06808	2.1
267.06628	4.0
268.07196	5.0
273.03867	3.4
277.08496	2.2
279.06461	8.7
280.07291	3.1
281.08035	5.9
283.05920	6.2
291.06564	4.4
292.07144	3.3
293.08032	9.5
294.05154	20.9
294.08344	2.2
295.06018	63.4
295.09335	2.9
296.06729	8.1
297.07474	10.1
305.08063	7.2
306.08777	3.3
307.06003	47.6
307.09326	4.4
308.06702	19.5
309.07544	16.6
313.06967	6.2
317.08072	4.6
318.08783	2.2
319.05978	8.0
319.09457	3.0
320.06845	11.6
321.07553	51.8
322.08197	9.7
323.05408	3.0
323.09045	9.1
323.12668	2.2
325.07007	78.2
329.08005	6.4
331.09567	4.5
333.07498	25.1
334.08377	8.2
335.05490	4.2
335.09091	24.4
336.06085	3.9
337.07037	53.1
338.07437	2.9
339.08582	9.9
343.08249	2.6
345.07584	19.3
347.05414	2.5
347.09100	11.6
349.07007	44.6
350.07135	2.2
351.04642	4.0
351.08588	33.4
353.10022	2.7
355.08017	6.8
359.09302	3.8
361.06979	20.8
361.11011	3.0
362.07727	3.3
363.08603	36.1
365.10165	2.7
367.08194	9.4
373.06979	15.0
373.10901	2.3
375.08478	19.4
379.08087	60.8
381.09833	2.5
385.09225	2.5
387.08502	7.4
389.09985	4.9
391.08066	70.3
393.09692	31.5
397.10522	2.5
401.10663	3.2
403.07895	5.9
405.09686	11.4
409.09167	100.0
410.09244	2.2
411.10712	40.5
413.10318	9.1
415.08075	5.9
417.09708	5.9
419.11548	4.6
423.10681	7.0
427.10236	61.9
429.11526	4.3
431.11084	5.7
433.09082	13.5
435.11267	2.9
441.11768	12.1
441.16913	2.1
447.10889	18.6
459.10852	22.5
465.11768	45.0
477.11768	26.2
483.12857	45.2
495.12827	93.7
496.13300	2.8
513.06726	3.6
513.13928	64.1
531.15118	18.5
549.15656	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	549.1598
Annotation	Chrysin 6-C-alpha-L-arabinopyranoside-8-C-glucoside
Peak:m/z	Relative Intensity
57.03423	2.3
59.29718	2.3
61.02930	2.9
65.76843	2.0
68.08709	1.9
69.03407	8.1
69.03776	2.1
69.53059	3.5
69.53458	17.3
80.93578	2.0
85.02888	7.1
90.30204	1.9
95.04976	2.0
97.02925	3.0
98.21393	4.1
105.03389	25.2
109.02875	3.2
119.04971	2.4
121.02846	6.1
129.03384	4.8
145.06445	2.0
147.04372	2.6
175.03911	2.8
177.01859	4.0
177.05469	3.1
189.01898	10.1
191.03381	8.7
195.02823	9.1
199.03871	2.4
203.03378	12.3
207.02885	8.5
215.03323	5.2
217.04858	3.5
219.02890	3.5
221.04443	6.2
227.03493	2.5
229.04915	5.3
233.04564	2.6
245.04494	1.9
251.06982	5.0
252.07819	4.5
255.02737	2.2
263.07025	7.0
264.07700	3.3
265.08655	5.2
267.06564	8.0
269.04706	2.2
273.03983	2.5
277.08615	6.1
278.05710	24.2
279.06500	93.3
280.07254	7.3
281.08084	8.6
291.06519	68.3
291.09702	3.6
292.07257	17.4
293.08014	17.8
294.05154	4.1
295.06018	7.0
297.07544	6.1
301.08414	3.5
303.06552	10.6
303.09601	2.6
304.07312	7.4
305.08005	44.2
306.08676	12.4
307.05945	12.2
307.09561	6.5
308.06772	2.6
309.07526	87.5
310.07761	2.5
316.07535	2.3
317.08035	23.6
318.08600	3.8
319.06058	5.0
319.09647	12.6
320.06726	6.3
321.07568	68.4
322.07727	2.7
323.08868	3.4
325.06995	5.9
329.08170	4.5
331.09677	16.0
333.07535	61.2
333.10928	2.7
334.08163	3.2
335.09067	31.2
337.06830	9.8
339.08664	8.7
341.07999	3.9
343.09726	3.9
345.07535	25.4
345.11328	2.9
347.09048	13.1
349.06805	4.8
349.10764	9.1
351.04797	2.6
351.08374	12.7
355.08786	2.1
357.07419	5.8
358.07947	3.5
359.05164	2.1
359.08981	12.3
361.06775	4.8
361.10873	5.2
363.08588	100.0
367.08481	2.6
369.07498	5.9
371.09079	5.2
373.10858	4.6
375.08563	31.6
377.10068	5.4
379.08051	8.6
381.09604	58.5
385.10654	5.4
387.08673	23.5
389.10117	12.8
391.08054	4.1
393.09628	39.5
399.10822	14.1
403.11786	5.3
405.09558	26.2
407.11142	2.9
409.09256	4.4
411.10815	24.5
413.09979	3.1
417.09525	23.0
423.10703	23.9
427.10138	3.6
429.11621	23.9
431.11331	3.0
435.10788	35.4
441.11795	33.4
445.11020	2.9
447.10559	8.6
453.11780	30.3
459.10794	16.7
465.11737	25.1
469.11115	6.5
477.11707	31.7
483.12833	14.6
495.12866	44.8
513.13892	36.7
531.14978	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	549.1596
Annotation	Chrysin 6-C-glucoside-8-C-alpha-L-arabinopyranoside
Peak:m/z	Relative Intensity
50.74676	1.6
57.56697	1.8
64.02203	1.7
69.58709	4.4
69.59123	11.6
72.32653	1.6
85.02879	3.5
98.21498	4.2
101.38501	1.9
105.03379	19.4
121.02872	2.0
129.03339	4.1
131.04816	1.9
189.01799	2.9
191.03337	3.6
195.02895	5.7
197.05833	1.9
201.01700	2.2
203.03357	10.3
207.02818	3.6
215.03436	3.9
217.05017	4.4
217.45480	1.7
221.04372	2.1
227.03302	2.7
233.04338	2.1
251.06947	2.1
252.07779	2.6
263.06958	4.5
265.08569	5.7
267.06509	2.9
277.08554	2.0
278.05765	10.3
279.06488	58.1
280.07169	6.3
281.07956	6.0
289.08527	3.2
291.06531	33.0
291.09702	3.8
292.07132	11.8
293.08078	12.2
297.07379	2.2
301.08447	2.8
303.06506	5.3
304.07224	6.2
305.08054	31.3
306.08667	6.8
307.06113	2.8
307.09555	3.8
309.07550	53.5
313.08417	2.9
317.08078	14.8
318.08853	2.6
319.09537	18.8
320.06906	3.1
321.07520	39.5
323.08920	2.6
329.07974	13.0
331.09500	2.8
333.07571	36.1
335.09125	23.1
339.08719	8.7
343.09570	2.9
345.07529	26.7
345.11389	2.6
347.09137	17.4
351.08380	6.3
357.07571	13.2
359.09113	4.8
363.08572	54.2
371.08972	5.9
373.10995	2.1
375.08572	47.6
385.10645	3.1
387.08731	8.6
389.10074	2.4
393.09653	79.6
394.09576	3.4
399.08746	5.5
405.09293	4.5
409.08182	2.7
411.10751	100.0
412.11105	2.4
413.10092	2.9
417.09735	10.8
423.10785	4.9
429.09573	8.7
441.11176	7.6
447.10669	8.1
459.12039	10.2
459.18597	1.8
465.11765	31.6
477.11581	11.3
483.12823	14.6
495.12772	53.8
513.13818	18.4
531.14813	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	549.1596
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63609	1.0
53.03925	1.2
55.01868	3.7
57.21208	1.2
66.29591	0.9
67.05479	1.1
69.03431	2.5
70.06592	4.6
71.75513	1.1
72.08129	1.4
72.87849	0.8
81.03398	1.4
81.07024	1.0
84.08138	2.9
85.02908	6.9
86.09691	2.0
90.93804	1.0
91.05485	2.9
92.99760	1.4
95.04947	1.1
97.02896	3.1
99.76031	0.9
101.07151	1.0
103.05463	4.5
104.05278	1.4
105.03382	7.2
105.07020	3.2
107.04975	2.0
109.12006	1.1
119.04848	1.1
119.08605	1.1
120.08089	2.1
121.02852	2.1
121.06518	1.6
122.03651	1.0
129.03391	3.4
131.04959	5.0
133.06421	1.9
137.05978	16.5
145.06494	1.6
147.04396	4.1
149.05977	1.2
151.03902	2.5
151.07570	1.0
157.06526	1.3
159.08026	0.9
160.05186	1.0
161.06004	5.9
163.07582	2.4
165.01819	5.5
167.03409	3.2
167.07027	8.4
175.07567	4.8
177.05579	1.6
179.06969	1.2
181.04887	1.9
183.02885	2.5
187.07565	4.6
191.03322	1.2
191.07019	4.5
193.08578	1.6
203.03357	2.3
203.06982	1.3
213.05533	1.3
217.08592	2.7
218.07298	1.6
219.08054	1.6
220.08757	0.9
221.04672	1.2
223.07602	2.3
235.07506	1.8
239.07040	1.1
247.07509	1.6
249.08946	2.1
251.06995	10.4
254.05739	2.3
255.06485	7.1
257.04321	2.0
261.09100	1.5
263.07071	4.0
265.08609	7.6
266.72873	1.1
267.06506	85.5
268.07254	6.8
273.09082	1.8
275.07123	1.2
276.07727	2.2
276.30450	1.1
277.08539	5.9
279.06537	15.1
279.09720	1.7
281.08078	15.2
288.07770	1.5
289.08630	3.3
291.06595	5.7
291.09692	1.3
292.07269	1.6
293.04752	2.0
293.08069	28.0
293.11252	1.4
295.06653	1.2
295.09528	5.7
297.07565	59.5
298.07825	1.1
301.08545	1.0
303.06738	1.1
305.08057	39.1
307.05966	1.4
307.09369	2.3
309.07504	9.7
317.08051	1.9
321.07565	45.3
321.11008	2.8
323.09158	4.7
325.10611	1.3
331.09592	1.4
333.07544	37.6
333.10669	1.4
335.12750	1.4
339.12201	1.7
345.13358	1.2
347.08911	1.2
347.12845	1.8
351.08606	100.0
352.08850	1.2
365.10071	1.9
369.09674	38.6
377.14099	1.4
387.10684	15.5
407.11276	1.5
451.12415	1.1
501.15103	1.6
513.14545	3.3
531.16016	4.0
549.16730	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	549.1532
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56358	0.2
53.03943	0.3
55.01862	0.4
56.05020	0.2
57.03418	0.7
58.98544	0.2
61.02915	1.1
67.05498	0.2
69.03427	2.5
69.43914	0.9
69.44343	1.3
70.06588	1.1
71.04959	0.7
72.08150	0.4
73.02896	0.5
74.18996	0.2
79.05480	1.0
81.03410	1.8
81.07034	0.4
84.08128	0.7
85.02901	4.1
86.09689	0.4
87.04449	0.3
91.03953	0.5
91.05477	1.4
93.07009	0.5
94.06541	0.8
95.04935	0.4
95.08598	0.2
97.02879	2.3
99.04419	1.1
103.05453	0.8
105.07014	4.1
107.04934	0.6
107.08553	0.3
109.02868	1.3
109.06510	0.5
110.07137	0.4
111.08029	0.2
117.06954	0.2
118.06543	0.3
119.08568	0.6
120.08129	0.2
121.06509	0.7
122.06012	2.5
123.08043	0.4
123.11633	0.4
127.03925	1.1
128.06184	0.2
128.31206	0.2
130.06512	0.7
131.08566	0.3
132.08051	1.2
133.06485	0.3
133.10117	3.5
134.06007	1.2
138.03729	1.1
145.04922	0.9
145.10110	0.3
146.05994	0.5
151.07515	0.3
160.07553	0.6
161.09618	3.4
163.11143	0.9
164.01648	0.8
165.02422	1.6
166.03209	100.0
167.03586	1.1
173.07097	0.6
174.07948	0.4
178.03255	0.2
179.02734	0.3
179.10623	1.1
181.12202	0.2
182.02748	1.1
189.09149	1.2
189.12776	0.4
190.03181	0.5
204.06531	0.7
205.04303	0.3
207.05913	0.3
207.10178	0.9
207.13762	1.8
208.04309	0.6
210.09209	0.5
221.08307	0.3
222.09120	1.0
237.10216	0.6
238.08705	0.4
243.08838	0.3
253.06375	2.3
254.06277	1.6
256.07947	0.8
261.80130	0.2
267.06570	0.5
280.04224	1.0
280.07736	0.5
295.09198	1.4
297.07611	0.4
323.08389	1.2
341.09616	0.4
341.15881	0.3
351.14301	0.5
369.09088	0.6
369.15366	0.3
369.19308	0.4
369.23563	0.2
387.10059	60.3
388.10370	1.5
417.11847	0.7
549.15167	4.2
549.24841	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.3423
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	21.3
67.05488	48.5
67.59979	10.5
69.07049	21.7
70.06579	19.2
71.04964	14.5
71.73203	24.8
72.08141	16.6
78.82013	11.8
79.05476	72.1
81.03415	25.3
81.07043	63.3
83.04962	20.4
85.02934	12.8
91.05461	44.7
93.07040	100.0
95.04916	11.9
95.08590	45.8
105.07012	69.3
107.08583	31.8
109.10165	21.0
116.07066	21.0
117.06987	23.2
119.08604	59.4
121.10136	25.9
122.01550	14.3
129.07013	21.3
130.05090	11.9
131.08553	41.6
133.08702	12.1
133.10071	36.4
135.11687	20.6
143.08522	18.8
145.10164	23.8
147.11646	17.6
149.13225	15.4
157.10088	22.8
159.08023	14.0
159.11664	16.2
161.13248	25.9
169.10098	17.7
173.11412	11.9
173.13121	13.8
185.33714	12.2
246.22021	12.2
259.20547	16.9
284.12692	15.4
325.80701	12.9
333.17377	41.6
349.16226	14.6
351.18506	56.1
367.22522	16.1
385.23672	34.5
403.24655	40.3
421.25369	28.2
447.17081	18.7
455.22369	13.1
554.72485	14.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.3706
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37382	0.5
52.83476	0.4
52.92248	0.5
53.47452	0.5
55.05496	1.8
56.05018	1.5
57.07064	0.6
58.06594	1.7
60.08159	17.1
67.05506	3.7
69.07054	2.0
71.07365	6.6
71.75130	0.5
79.05492	1.7
81.07052	3.8
83.08579	0.5
83.67292	0.5
86.09696	53.0
91.05447	0.9
93.07028	1.6
95.08593	3.0
97.10154	0.7
98.98465	5.1
100.13872	0.6
104.10732	100.0
105.07001	0.9
105.11038	0.9
107.08586	1.1
108.65212	0.5
109.10137	1.3
119.08600	0.6
121.10133	0.6
124.99989	30.3
163.01480	0.6
184.07324	99.7
193.58606	0.6
228.99388	0.6
258.11008	1.2
278.16919	0.7
314.71552	0.5
356.40921	0.5
365.30414	0.7
376.32355	0.9
530.35828	7.3
548.37231	25.4
549.37952	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.3347
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	0.6
55.05512	5.6
57.03432	4.3
57.07074	2.9
60.08147	1.8
65.03920	0.5
67.05505	5.9
69.07067	7.9
70.08159	1.1
70.08552	0.9
71.04980	1.5
71.07362	0.9
71.08633	3.4
72.63960	0.4
73.06549	0.4
79.05489	4.0
81.07054	11.9
83.04973	0.9
83.08618	4.4
85.06524	1.7
85.10164	0.5
86.09705	8.4
87.54508	0.4
89.51303	0.5
91.05486	2.2
93.07041	7.4
95.04948	1.6
95.08607	11.8
97.06524	1.8
97.10179	1.9
98.98466	3.6
99.08079	1.2
105.07008	2.9
107.08592	12.7
108.08971	0.5
109.06508	5.0
109.10144	5.5
111.08068	1.8
119.08566	3.8
121.10148	8.6
123.08069	14.1
123.11708	2.1
125.00011	5.8
125.09617	0.7
127.61514	0.5
131.08534	1.2
131.37329	0.5
133.10117	3.0
135.08031	0.7
135.11687	2.7
137.09642	1.6
137.13229	0.8
145.10135	1.7
147.11673	1.6
149.09615	0.8
149.13266	3.1
159.11694	1.4
161.13286	1.4
163.14806	1.5
165.12775	0.7
167.14331	2.5
173.02187	0.5
173.13214	0.9
175.14851	1.1
177.16370	4.0
179.14302	15.0
184.07339	25.3
189.16412	0.6
193.15884	1.1
205.15884	0.4
215.17743	0.5
221.19135	0.5
231.15909	0.9
235.20546	0.6
263.20010	0.7
277.21628	4.0
285.49561	0.5
291.23260	1.2
291.26376	0.6
293.21243	0.6
305.28430	1.0
319.22662	0.6
333.27869	17.1
349.27121	1.0
351.28897	7.5
371.29343	1.7
376.32129	1.3
389.30426	4.3
390.25787	0.4
407.31558	100.0
408.31766	3.2
487.28177	1.1
505.29156	2.2
516.67212	0.5
536.03650	0.5
548.38519	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.306
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04258	2.6
61.35922	2.2
67.05471	3.8
67.99017	2.6
69.44981	8.5
69.45415	16.9
70.06585	13.2
79.05462	5.6
81.07038	8.3
84.08108	2.7
86.09702	5.2
91.05465	6.6
93.07010	8.1
95.08597	9.8
103.05399	2.4
105.07011	10.1
107.08573	5.3
109.10146	14.2
114.58054	2.5
119.08566	6.7
120.08109	3.3
121.10143	4.0
129.06984	3.1
131.08525	7.6
133.10112	6.8
135.11612	2.4
137.05940	3.9
137.09613	15.8
143.08546	8.4
145.10075	8.5
147.11671	6.6
155.08485	7.9
157.10120	6.8
159.11671	9.6
161.97429	2.8
169.10120	4.3
171.11690	12.6
173.13277	4.3
181.10043	5.5
183.11636	4.8
185.13232	6.9
187.11118	2.7
194.10846	3.5
195.11702	9.3
197.13206	4.3
199.14771	6.4
209.13181	11.7
211.14848	17.3
211.16577	2.3
213.12582	3.2
213.16322	2.8
223.14766	9.6
239.17868	5.0
241.19514	21.6
251.17950	32.4
257.18875	9.6
259.20612	12.6
269.18970	76.8
287.20056	58.4
297.18442	21.2
305.21060	10.9
315.19522	100.0
333.20605	48.6
351.21780	3.5
359.41003	3.0
495.12640	3.1
548.37390	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	547.1445
Annotation	Dehydrogaertneroside
Peak:m/z	Relative Intensity
55.01872	3.7
60.16803	2.3
65.03947	3.4
67.46584	2.4
69.14614	2.2
70.06574	7.2
70.35427	2.1
84.04502	2.2
88.24377	2.4
91.05442	4.0
92.96290	2.8
95.04958	2.6
107.04912	5.6
116.01720	2.6
119.04934	8.5
121.02863	32.6
131.04886	3.6
133.46422	2.5
135.04443	2.6
137.05975	17.1
145.02855	3.4
148.37770	2.2
150.28302	2.2
157.42328	2.5
161.05928	4.2
162.02159	4.7
165.01836	2.5
175.07477	3.9
177.01796	3.3
177.38568	2.2
187.03903	4.0
189.01814	7.8
191.03479	6.5
195.02878	8.1
203.03337	17.1
205.04868	3.2
207.02887	9.7
210.61758	2.5
215.03415	10.1
217.04901	5.4
221.04485	4.3
231.02884	3.7
233.04398	4.0
243.02893	5.1
245.04564	4.7
257.04242	2.8
261.03867	3.7
267.06570	3.8
270.15491	2.2
279.06406	5.6
281.08044	5.3
283.05988	17.8
284.06689	3.4
291.09998	3.5
292.07153	2.8
293.08078	7.4
294.05194	10.5
295.06024	74.5
296.06702	8.1
297.07657	14.5
305.08072	3.1
307.06009	65.0
307.09366	4.0
308.06677	14.5
309.07599	28.2
311.12988	3.4
312.06293	6.6
313.06961	2.9
315.17535	3.6
317.08157	6.5
319.06021	5.5
319.09448	3.2
320.06854	9.5
321.07553	60.1
322.08313	13.6
323.05460	2.9
323.09082	9.5
325.07065	64.3
326.07654	5.2
329.08002	2.5
333.07501	46.9
334.08310	5.5
335.05319	6.7
335.09113	20.6
336.06210	6.4
337.07056	36.1
339.08618	5.5
345.07532	15.0
347.05328	4.5
347.09204	10.9
349.07025	49.9
350.07834	6.6
351.08655	22.7
353.06546	12.0
360.06433	4.1
361.07010	43.5
361.11023	3.8
362.07538	4.8
363.08655	23.2
365.06393	4.1
367.07950	4.8
373.06955	14.7
375.08582	9.2
377.06342	11.3
378.07269	5.3
379.08118	41.9
389.10443	3.2
390.07074	3.9
391.08084	69.2
393.09680	6.0
403.08041	8.8
405.09335	3.6
407.07635	14.4
408.08228	5.6
409.09171	58.7
410.09668	3.5
417.09589	4.5
419.07315	3.4
421.09003	12.8
426.09406	3.1
427.10391	23.5
429.09460	4.4
431.07538	4.8
433.09259	2.8
439.10114	14.3
445.09213	5.3
447.10480	7.8
457.11316	14.3
463.10129	24.6
465.11850	3.3
475.10236	20.7
481.11270	100.0
482.11279	4.9
493.11319	66.8
494.11005	4.1
511.12357	92.3
529.13623	14.8
547.13885	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1444
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	6.1
57.03416	3.0
69.44017	20.8
71.83319	1.8
75.64266	1.8
83.38896	1.7
91.05499	1.9
97.06380	2.4
100.37263	1.9
107.04910	3.4
108.82079	1.7
109.02868	3.3
111.04394	2.3
119.04948	8.9
121.02055	3.0
121.02859	41.3
121.03760	2.6
121.06471	2.1
122.61069	1.9
125.90403	1.8
145.02843	3.9
150.15010	1.8
163.03908	3.8
171.04266	2.6
175.03864	2.6
177.01770	2.6
187.03905	4.5
187.14433	1.9
189.01787	9.2
189.05431	4.3
190.02559	2.0
191.03409	5.3
195.02896	8.7
199.03963	2.8
200.88239	1.9
203.03368	15.4
205.04890	2.8
207.02847	9.7
215.03401	8.6
217.04932	6.5
219.02922	5.2
221.04398	4.4
227.03345	3.6
231.02893	4.1
233.04378	5.7
241.04849	3.2
243.02907	4.2
245.04469	4.1
268.07346	4.8
279.06461	5.2
280.07404	3.3
281.08014	3.5
281.13953	2.0
283.05972	13.2
291.06442	2.4
292.07242	3.2
293.07977	4.8
294.05182	12.9
295.06003	67.2
296.06671	7.7
297.07541	12.2
305.08112	3.8
306.08679	2.8
307.06012	52.1
308.06787	17.9
309.03992	4.2
309.07486	28.0
311.05591	9.4
311.08664	2.1
312.06345	2.3
313.07123	3.0
317.07919	3.6
319.05975	10.4
320.06747	10.8
321.03970	2.1
321.07544	46.7
322.08243	8.8
323.05499	6.7
323.09100	9.6
325.07037	52.8
326.07568	2.7
329.08057	4.7
333.07516	29.7
334.08298	6.2
335.05457	6.0
335.09094	20.1
336.06186	6.3
337.07025	50.6
339.08694	3.5
345.07523	13.5
346.08420	2.1
347.05365	3.9
347.09238	6.3
349.07016	40.7
349.11230	2.7
350.07901	2.8
351.08505	20.8
353.06567	5.5
355.07849	4.8
357.07294	2.6
361.06973	35.3
361.11041	3.3
362.07745	2.9
363.08633	30.4
365.06485	19.4
367.07999	6.6
373.06940	13.5
375.08499	10.5
377.06204	11.8
377.10532	3.1
378.07129	2.7
379.08047	47.8
381.09763	3.5
385.07959	2.4
385.12839	13.8
389.06143	2.5
389.10684	2.2
391.08038	84.6
392.08151	2.4
393.09677	5.2
395.07632	5.8
396.47318	2.5
401.10516	2.6
403.07968	11.2
405.09830	2.3
407.07556	9.0
409.09094	74.6
410.09177	4.0
417.09744	3.3
419.07056	14.1
421.09097	11.3
427.10214	27.2
429.10052	3.6
431.07483	8.3
437.08572	3.7
439.10376	10.6
447.10767	8.6
449.08798	10.7
457.11304	18.3
463.10022	22.3
465.11874	4.1
467.09412	5.6
475.10278	14.9
481.11221	82.3
485.10236	2.0
493.04288	4.0
493.11261	76.2
494.11551	3.0
511.12286	100.0
512.12671	4.4
529.13477	20.4
533.71539	1.9
547.14081	2.9
549.81573	2.4
569.85297	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	547.1441
Annotation	Dehydrogaertneroside
Peak:m/z	Relative Intensity
55.01859	5.4
56.55414	1.3
57.03430	2.1
61.02925	1.9
68.99783	1.4
69.03422	7.5
70.16953	3.1
70.17371	6.1
85.75243	1.3
86.83156	1.3
89.06036	4.1
91.05490	1.4
93.03402	2.8
107.04939	2.7
109.02853	3.2
111.04439	2.0
119.04944	7.8
121.02048	2.5
121.02856	30.7
121.03664	1.2
126.80908	1.4
130.42860	1.5
133.08575	2.3
135.04405	4.0
137.02327	13.3
140.52881	1.6
145.02829	4.5
159.04385	3.2
161.02321	3.9
163.03914	3.8
175.03928	4.4
177.01797	3.8
179.03389	3.4
187.03902	3.7
189.01826	5.2
191.03371	5.8
195.02888	8.6
199.03917	4.1
201.01743	1.9
201.05423	1.8
203.03363	15.5
205.01303	4.9
205.04889	2.8
207.02914	8.9
213.05486	1.8
215.03438	9.4
217.04964	5.5
219.02930	6.8
221.04439	6.4
223.02408	4.6
227.03340	2.7
229.04948	3.9
231.02846	5.6
233.04434	4.0
235.02205	2.4
243.02913	4.4
245.04396	2.4
247.02457	2.3
255.02649	1.4
257.04355	3.0
259.02487	1.7
261.03888	2.8
266.05634	2.5
267.06436	4.4
268.07327	2.1
271.02609	1.7
271.05728	1.5
271.72174	1.6
273.03882	3.1
279.06473	5.7
283.05930	6.1
284.06708	2.1
285.03714	1.4
292.07138	2.2
293.04755	1.3
293.08063	3.6
294.05136	7.7
295.05978	55.8
296.06577	4.3
297.07498	5.4
299.05457	2.8
305.08002	3.9
307.05972	23.2
307.09457	2.8
308.06763	12.1
309.03900	5.7
309.07544	25.8
310.04651	8.5
310.07883	2.2
311.05478	23.1
312.06290	3.3
313.07022	5.0
317.08014	2.2
319.06003	4.7
320.06778	6.1
321.04254	1.8
321.07568	33.4
322.04712	3.3
322.08310	6.0
323.05496	50.3
323.09103	4.7
324.06137	10.8
325.03314	2.5
325.07037	31.3
329.07861	1.9
331.05783	2.1
332.06781	2.5
333.07486	21.8
334.08261	2.7
335.05435	10.8
335.09103	14.0
336.06226	5.5
337.07022	51.5
338.07693	4.2
339.04941	2.1
339.08630	7.5
341.06525	22.1
344.06723	2.3
345.07526	7.6
346.08469	1.9
347.05496	2.0
347.09274	6.3
348.06232	1.8
349.07028	39.3
349.11224	2.7
350.07568	5.3
351.04825	3.1
351.08624	19.5
352.05658	1.8
353.06482	29.0
353.10510	2.2
355.08105	2.4
359.05435	2.0
361.07074	32.0
361.11200	1.4
362.07513	1.9
363.08649	22.9
365.06509	34.4
365.10638	2.8
367.08118	12.7
373.06894	7.3
375.04718	2.3
375.08682	10.6
377.06500	23.4
377.10370	1.4
378.07074	2.3
379.08112	33.9
381.09885	2.2
383.07568	3.9
389.06348	18.3
389.09988	2.0
390.06689	1.8
391.08047	28.4
391.12735	2.1
393.09616	4.8
395.07587	28.3
397.08997	1.8
401.10397	2.4
403.08044	12.9
405.05676	2.6
405.10175	1.9
407.07556	65.7
408.07947	2.7
409.09189	30.6
409.14545	1.4
410.09433	2.3
415.09360	1.6
417.09723	3.4
419.07254	9.9
421.09061	10.0
425.08594	24.7
427.10211	33.4
428.10303	1.6
429.09592	5.5
431.07617	5.4
433.09009	3.2
435.10837	2.3
437.08804	7.8
439.10150	11.4
443.09775	12.5
445.09207	2.1
447.10693	4.0
449.08548	11.4
457.11398	16.7
463.10254	13.8
467.09286	2.5
475.10114	9.3
481.11255	89.8
482.11621	6.3
493.11215	38.4
494.11371	1.7
499.12271	7.8
511.12344	100.0
512.12659	5.9
515.25330	2.1
529.12970	22.8
547.13794	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	546.3269
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	8.9
57.03432	3.7
67.05502	24.9
69.07057	6.4
71.04955	4.8
71.73125	4.4
79.05486	22.2
81.03398	8.8
81.07052	26.4
83.04958	7.5
83.08606	4.5
85.02924	5.4
91.05466	28.8
93.07026	18.3
95.04934	8.2
95.08585	15.5
103.05433	3.0
105.07021	38.6
107.04940	3.3
107.08570	13.5
107.88403	3.1
109.06495	3.8
109.10146	4.3
117.06992	12.9
119.08578	35.6
121.10123	11.5
131.08539	15.3
133.10135	37.5
135.08069	3.9
135.11678	5.6
145.10065	6.8
147.11636	12.2
159.11664	9.9
161.13210	3.4
163.60767	3.3
173.13194	5.7
221.45094	2.8
239.17990	3.2
245.59480	2.9
267.15894	6.1
275.20044	53.2
333.07452	2.8
349.23715	100.0
350.23886	3.7
419.24103	5.2
447.27200	3.8
546.28381	4.3
546.36249	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	546.327
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05493	23.4
57.07037	5.6
66.89807	5.9
67.05503	50.8
69.03413	10.0
69.07045	16.5
71.25176	5.9
71.75466	9.6
79.02676	5.5
79.05478	21.7
81.03401	11.2
81.07053	61.9
83.04967	7.0
83.08607	18.7
85.02888	13.3
91.05471	45.6
93.07053	31.6
95.04951	13.6
95.08591	25.1
97.06512	7.1
105.07021	60.8
107.04938	11.6
107.08586	24.2
109.02869	6.0
109.06523	13.5
109.10170	13.6
117.07010	16.1
119.08571	37.1
120.65949	6.1
121.10143	15.6
123.08057	9.5
127.03929	12.5
131.08565	20.9
133.10109	32.4
135.08043	15.5
135.11653	8.8
145.10161	15.6
147.11613	9.1
155.52904	7.1
159.11696	12.4
179.14429	7.4
182.53392	5.8
185.13542	5.9
197.77950	6.9
207.11743	5.9
257.19049	5.9
275.20056	60.5
293.21033	7.8
343.71539	6.0
349.23743	100.0
374.30481	26.4
405.29980	11.8
493.28268	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	546.327
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.5
55.01851	3.7
55.05505	8.9
55.64936	2.7
57.03434	2.7
67.05493	21.4
69.03433	3.2
69.07059	12.5
70.06570	4.3
70.10255	9.2
70.10664	5.4
72.08130	3.0
78.78535	2.7
79.05484	15.2
81.03410	9.2
81.07043	24.4
81.22341	2.8
83.04955	7.5
83.08598	5.1
84.04572	2.5
84.08133	3.4
85.02884	8.0
85.47409	3.6
91.05466	18.1
91.09364	3.0
93.07024	24.9
95.04949	6.6
95.08588	16.3
95.09120	3.1
97.02892	4.3
97.10199	3.0
105.07021	23.8
107.04948	7.5
107.08601	13.0
109.02869	6.8
109.06501	10.5
109.10157	8.2
117.07003	9.4
119.08559	14.0
121.06504	14.1
121.10139	11.5
123.08064	6.8
123.11703	4.0
123.51785	2.8
127.03912	21.6
129.06982	4.4
131.08568	15.5
133.06476	4.0
133.10106	16.8
135.08067	4.2
135.11714	7.3
141.07013	2.9
143.08618	4.7
145.10110	15.9
147.08029	4.1
147.11688	9.5
149.09566	4.8
149.13268	4.0
159.08018	4.6
159.11671	5.6
161.09615	4.2
161.13231	6.2
163.11182	7.2
173.09579	5.7
173.13235	5.8
175.11156	4.2
194.67363	3.1
201.12737	4.7
207.13907	3.6
219.81607	2.7
257.18832	15.0
275.20038	100.0
275.23038	5.9
293.21088	36.8
335.22156	12.5
349.19574	5.8
349.23694	72.2
367.24829	25.0
383.22177	3.4
401.23163	9.8
419.24115	29.0
437.25284	41.3
458.09814	3.1
475.54712	3.2
522.84277	3.2
567.34021	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3835
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25488	2.3
51.85344	2.3
53.03929	5.2
55.01861	6.3
55.05510	38.2
57.03432	10.8
57.07073	3.4
66.02899	2.2
67.05499	68.7
67.05849	4.5
69.03441	3.4
69.07063	24.3
70.01666	13.4
71.04993	6.5
71.08632	4.2
71.69704	2.7
78.35746	2.1
79.05482	40.7
81.03405	18.4
81.07047	68.6
83.04973	6.8
83.08610	23.0
85.06535	3.5
89.06027	2.5
91.05472	38.5
93.07034	44.8
93.98429	2.5
95.04960	21.7
95.08592	49.4
97.06548	8.5
97.10170	19.0
99.08070	3.2
105.07028	33.3
107.04976	8.9
107.08590	37.4
107.09243	3.9
108.00521	2.8
109.06519	8.4
109.10141	22.8
111.08089	3.8
117.07005	15.2
119.08565	33.3
119.09299	3.0
121.06522	6.3
121.10140	19.2
123.08099	6.2
123.11732	10.7
125.09587	14.2
128.06178	3.3
129.06979	12.0
131.08553	26.5
131.41742	2.4
133.06525	3.0
133.10107	23.1
135.08046	5.5
135.11665	14.4
137.09656	6.2
141.07007	2.4
143.08539	11.6
145.06482	3.8
145.10104	21.7
146.98215	4.4
147.08064	5.0
147.11633	13.7
149.09645	5.0
149.13324	6.7
155.08617	4.7
157.10124	11.9
159.11714	17.6
161.09642	2.6
161.13280	7.8
163.11249	4.6
163.14777	4.4
165.12790	3.1
169.10143	5.2
171.11734	9.6
173.13289	6.5
175.11241	5.5
175.14839	5.5
177.12819	2.8
183.11760	7.2
185.13292	5.7
187.14828	3.9
189.11296	10.0
193.12260	10.6
195.11687	3.0
197.13289	3.8
199.14909	5.6
201.16432	2.8
227.12668	11.3
243.21092	4.3
261.22266	8.0
264.27747	2.7
267.15860	19.4
273.22098	2.8
277.21713	5.6
285.22238	4.0
287.23779	3.1
301.25308	14.2
303.23315	3.4
315.19742	2.5
315.23407	3.0
335.25983	8.1
383.89621	2.2
435.32849	10.3
453.33731	17.1
471.34607	15.4
527.37274	56.2
527.45392	3.8
545.38440	100.0
546.39105	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3837
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	4.6
55.01865	3.1
55.05508	20.6
57.03434	4.7
57.07061	3.0
59.00114	1.2
59.55188	1.2
65.03932	3.7
67.05502	61.1
67.20240	1.1
69.03429	3.0
69.07066	22.1
69.66485	5.7
69.66914	4.4
71.04978	6.3
71.08619	2.9
71.60873	1.4
72.78973	1.3
79.05486	53.5
81.03410	1.8
81.07052	100.0
83.04984	7.5
83.08618	9.9
84.22213	1.2
85.06548	4.7
85.10143	1.8
89.06031	2.3
91.05479	43.3
93.07040	47.4
95.04961	12.4
95.08598	42.3
97.06533	5.3
97.10149	4.3
97.72624	1.2
99.08102	4.0
101.06050	1.2
103.05447	1.3
105.07024	42.3
105.07722	2.2
107.04943	1.8
107.08580	27.7
109.06514	6.2
109.10147	18.2
111.08109	2.9
113.09666	1.4
117.06998	9.7
119.08577	31.8
121.06554	1.6
121.10136	32.1
123.08088	4.8
123.11697	21.9
125.09653	1.8
127.07558	2.0
129.07024	3.8
131.08553	13.3
133.10121	13.9
135.08073	1.2
135.11673	15.6
137.13239	3.2
143.08588	4.1
145.10126	12.1
147.08015	2.0
147.11671	52.6
149.09639	1.8
149.13255	8.1
151.07498	1.2
151.11203	1.4
157.10164	3.9
159.11674	8.4
161.13258	6.8
163.11234	1.9
163.14879	2.5
165.12738	25.7
169.10109	1.4
171.11674	2.3
173.13222	5.9
175.11174	2.7
175.14854	2.8
177.12790	2.0
179.14273	1.4
183.13904	2.4
185.13263	2.2
187.14819	3.4
189.12766	1.7
189.16278	1.5
193.12256	2.8
195.78629	1.2
197.13203	1.3
211.13293	1.6
229.14409	5.3
243.21217	3.5
259.20618	1.8
261.22141	14.9
267.15887	49.7
275.23480	2.0
277.21655	3.6
285.16907	2.1
285.22116	1.4
289.21750	1.7
301.21936	1.4
301.25262	1.8
317.24695	3.9
335.25922	2.4
409.76300	1.1
417.31644	1.5
435.32767	3.4
446.44189	1.4
453.33740	4.9
471.34750	3.9
527.37262	16.3
545.38397	73.7
546.38879	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3835
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.3
55.01861	4.8
55.05509	30.5
57.03434	7.7
57.07065	5.6
61.13234	1.6
65.03935	3.3
67.05503	68.1
69.03436	4.8
69.07062	23.4
70.44032	8.1
71.04986	6.3
71.08631	5.0
73.06588	1.8
79.05490	53.2
81.03416	17.3
81.07054	73.2
83.04984	7.4
83.08620	18.6
85.06546	5.4
91.05480	45.0
93.07040	46.9
95.04971	19.1
95.08601	48.6
97.06544	5.9
97.10162	21.8
99.08085	4.0
105.07023	36.8
107.04961	7.2
107.08585	35.2
107.09251	3.2
109.06516	6.0
109.10152	23.0
111.08090	4.4
115.05510	2.9
117.07014	20.0
119.08579	29.9
121.06506	8.9
121.10138	22.4
123.08097	5.8
123.11736	6.7
125.09641	11.1
129.06987	9.9
131.08571	28.9
133.06508	1.9
133.10138	28.8
135.08073	7.1
135.11688	14.7
137.05952	2.6
137.09677	4.2
137.13223	2.8
141.07057	3.1
142.07791	2.0
143.08549	10.2
145.06425	2.6
145.10121	18.6
147.08069	5.2
147.11676	16.3
149.09642	3.2
149.13312	6.3
155.08585	5.1
157.10098	10.7
159.11700	14.5
161.09599	2.4
161.13284	6.4
163.11185	3.4
163.14787	2.9
165.12756	2.7
169.10158	5.5
171.11665	10.2
173.09636	2.3
173.11856	2.7
173.13280	10.6
175.11192	4.4
175.14842	4.7
177.12766	2.2
179.14482	3.0
183.11697	4.5
185.13298	5.7
187.11240	1.9
187.13411	2.2
187.14914	6.9
189.11267	9.2
189.16484	2.6
193.12259	7.9
197.13342	4.1
199.14888	3.3
201.16331	2.3
209.13219	2.5
211.13112	2.2
227.12843	12.5
233.09373	2.0
233.15440	2.2
247.17006	3.3
261.22192	8.5
267.15912	13.9
273.18405	2.7
275.19882	2.6
277.21616	4.6
285.22159	5.5
289.21808	2.1
301.25333	15.6
303.23346	5.3
335.25934	12.0
345.24374	1.8
435.27408	2.8
435.32599	9.2
436.74612	2.4
453.33456	15.1
471.34818	13.8
509.35654	2.9
527.37299	53.2
545.38409	100.0
546.38556	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	545.3834
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	7.4
55.01874	8.6
55.05512	28.4
55.71327	4.9
57.03411	6.5
57.07076	8.2
65.03906	5.7
67.05496	89.2
69.07059	29.8
71.08632	33.3
76.53443	5.1
79.05486	85.3
81.03411	10.5
81.06604	8.7
81.07051	89.6
82.99628	5.3
83.04961	15.1
83.08613	18.2
85.06545	6.3
91.05472	53.5
93.07043	89.3
95.04960	23.8
95.08602	46.3
97.06556	11.9
97.07854	5.2
97.10135	6.3
99.08088	19.4
105.07008	26.5
107.08576	51.0
109.10129	14.7
111.08053	6.7
117.06975	11.0
119.08581	12.2
121.10201	26.3
123.11669	6.6
131.08568	13.0
133.10129	19.5
135.11691	29.9
141.29237	5.6
147.11673	7.0
149.13237	16.6
151.11156	14.9
157.10104	6.4
159.11685	8.7
161.13217	11.4
163.11142	8.2
167.41547	5.5
179.14304	100.0
229.56483	9.4
277.21628	54.4
460.22498	5.5
545.38519	63.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2954
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	9.5
55.01870	13.0
55.05507	25.4
56.66092	2.4
57.03429	37.6
59.04979	4.2
61.02919	48.5
65.03918	4.7
67.05497	88.4
69.03421	26.1
69.07059	28.0
70.06578	13.6
71.01357	4.9
71.04965	14.5
71.73730	3.2
72.08160	7.1
73.02914	20.9
75.04475	3.7
77.03973	2.9
79.05492	43.6
79.84313	2.4
81.03414	24.3
81.06608	4.3
81.07052	60.0
83.04977	19.0
83.08613	16.2
84.08144	8.2
85.02895	48.1
85.06532	9.2
86.09708	4.3
87.04457	2.8
91.03947	22.0
91.05465	71.0
93.07037	72.9
94.07362	2.5
95.01295	2.7
95.04951	21.5
95.08598	100.0
97.02876	35.8
97.06509	21.3
97.10165	7.8
99.04431	6.3
99.08065	6.4
105.07021	71.4
105.07732	4.1
107.04949	14.6
107.08578	50.3
109.02888	9.4
109.06533	18.8
109.10150	56.3
111.04448	3.2
111.08056	13.8
111.59422	2.4
113.06012	3.9
113.09613	4.3
114.10329	4.3
115.03914	2.4
115.05423	3.7
115.07575	4.4
117.07005	20.5
119.08572	36.3
121.06482	15.6
121.10126	17.0
123.04449	3.3
123.08065	10.9
123.11701	10.0
125.09621	7.1
127.03923	11.1
127.07561	3.0
128.06218	4.1
129.07019	14.7
131.04973	3.7
131.07024	8.3
131.08542	26.5
133.06517	8.9
133.10118	86.3
135.08008	23.9
135.11685	10.5
137.05939	4.6
137.09569	12.9
139.11176	3.6
143.08549	12.6
145.05011	3.3
145.06485	6.7
145.10081	16.7
147.08002	13.1
147.11662	10.3
149.09584	17.8
149.13333	3.5
151.11160	45.2
155.08519	3.6
157.10098	14.0
159.08060	7.1
159.11714	11.5
161.09613	17.1
161.13268	4.6
163.07523	3.2
163.11215	5.5
169.10068	3.6
169.12236	12.5
171.11664	9.2
173.09601	5.9
173.13245	5.9
175.11156	9.8
177.12692	3.1
179.10681	8.8
181.08531	3.0
183.11740	3.5
185.13266	4.9
187.14864	3.7
189.11218	4.6
189.12741	4.7
189.16370	4.4
191.10704	3.7
193.12173	4.2
197.13280	3.5
199.11159	5.8
199.14815	11.3
201.12799	6.1
203.14352	3.3
213.16350	4.6
215.12762	10.3
217.15863	26.3
219.13785	6.6
227.17897	3.1
235.16953	6.5
237.16371	3.4
245.19034	8.0
253.14375	22.1
255.17363	8.9
263.20010	3.6
271.15335	37.1
273.18484	83.5
275.20050	2.7
287.10077	3.6
289.18030	4.5
291.19504	38.5
300.89359	3.0
315.19559	5.4
347.13181	4.2
347.22049	17.9
365.23203	70.0
383.11951	2.6
383.24173	40.1
407.24188	3.5
491.26172	4.4
509.27701	3.1
527.27679	3.2
545.32971	76.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2957
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	7.4
54.39957	1.8
55.01868	14.0
55.05507	23.1
56.23935	1.4
57.03434	38.2
57.20463	1.6
58.57870	1.7
61.02922	50.6
62.40131	1.8
64.74929	1.9
65.03925	4.1
67.05501	75.6
69.03425	33.0
69.07063	21.0
70.06595	7.4
71.01328	2.4
71.04989	12.8
71.48208	3.0
72.08156	6.5
73.02914	28.2
75.04465	3.0
76.02207	1.9
79.05026	2.2
79.05488	40.4
81.03413	22.5
81.07051	66.7
83.04976	17.1
83.08617	13.3
84.08123	3.9
85.02898	42.6
85.06539	8.0
86.09715	4.1
87.04440	3.9
89.06072	2.3
91.03950	25.8
91.05471	75.7
93.07037	69.9
95.04964	22.4
95.08600	100.0
96.08891	2.4
97.02891	35.8
97.06512	16.4
97.10153	9.8
98.21364	2.1
99.04445	7.8
99.08082	5.4
101.02359	5.8
103.03963	2.3
103.05466	4.2
105.07021	58.6
106.07331	1.9
107.04947	19.0
107.08583	47.0
109.02862	9.3
109.06518	15.4
109.10151	51.7
111.04422	4.0
111.08083	9.6
113.05965	4.0
115.03931	2.1
115.05395	2.9
115.07537	2.5
117.07009	17.8
119.04959	2.8
119.08587	32.3
121.06519	15.6
121.10138	16.1
123.04446	3.5
123.08038	11.8
123.11714	12.8
125.09609	8.5
127.03911	11.5
127.07540	5.0
128.06209	4.9
129.07001	14.3
130.07750	1.9
131.04906	3.7
131.07062	9.6
131.08549	20.0
133.06480	6.6
133.10118	81.0
135.08038	25.0
135.11679	9.7
137.05983	5.0
137.09628	13.1
139.07552	3.7
141.07030	2.0
142.07764	1.9
143.08510	11.3
145.04994	5.9
145.06438	4.0
145.10097	16.8
147.08046	11.8
147.11707	7.8
149.09576	12.5
149.13245	5.0
151.11169	43.2
153.09064	3.0
153.12762	2.6
154.79066	1.7
155.08473	3.9
157.10097	13.8
159.08121	4.8
159.11632	10.9
161.05963	4.3
161.09579	15.7
161.13194	4.2
163.07500	3.3
163.11191	4.4
167.10648	2.0
169.10141	4.7
169.12202	10.0
171.11685	11.9
173.09595	4.8
173.13263	7.0
175.07680	2.3
175.11198	5.7
175.14757	3.0
177.09081	2.4
177.12711	3.4
179.04845	5.0
179.10654	5.6
181.08632	2.2
181.10130	2.0
183.07932	2.3
183.11688	4.7
185.09578	4.9
185.13268	3.9
187.11227	2.7
187.14810	3.1
189.09149	2.3
189.11221	4.3
189.12787	4.0
189.16379	4.3
191.14349	3.9
193.12189	2.7
197.11726	2.5
197.13327	3.0
199.11243	2.0
199.14783	12.4
201.12718	2.2
203.10730	2.4
215.12724	12.8
217.15854	28.7
219.13792	3.7
221.09674	2.9
221.11746	2.8
227.12717	2.8
227.17877	3.0
231.17372	2.2
235.16878	3.4
237.16391	3.1
241.62766	2.0
245.18999	7.4
253.14360	22.1
255.17488	8.1
263.20166	2.4
271.15356	41.4
273.18460	89.6
274.18845	3.6
275.20129	4.2
287.10236	9.5
289.17813	3.1
291.19510	38.4
299.67099	1.9
315.19522	6.6
317.11304	3.0
339.12296	2.4
347.22058	18.0
349.23621	4.8
355.08502	2.1
356.63135	1.7
365.23169	68.1
373.59521	1.8
383.24216	48.3
384.24515	2.1
387.53265	2.1
389.23132	4.0
410.20612	2.0
509.27264	3.0
527.29083	3.7
545.31921	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	545.295
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	2.4
55.01858	5.8
55.05500	7.1
57.03426	4.6
57.07064	7.6
59.04987	2.1
67.05489	14.1
69.03416	6.3
69.07063	7.1
70.06575	2.0
71.01328	2.3
71.04972	2.2
71.08624	1.7
71.30846	1.7
71.74531	2.7
72.08174	2.5
73.02892	4.1
79.05497	13.9
81.03395	10.1
81.07050	19.1
83.01300	3.0
83.04967	2.6
83.08610	4.9
85.02905	8.3
85.10171	15.1
89.06013	2.4
91.05466	15.7
93.03374	1.8
93.07033	11.8
95.01321	7.6
95.04970	7.6
95.08089	1.8
95.08604	11.7
97.02876	6.4
97.06512	3.2
97.10166	3.9
99.08077	1.9
105.03379	4.9
105.06999	11.7
107.04978	5.9
107.08585	10.0
109.02837	3.4
109.06477	4.4
109.10155	4.5
111.04440	2.2
111.08030	2.0
113.02370	1.9
113.09631	11.3
117.07014	5.4
119.08561	11.3
121.06528	3.8
121.10123	9.1
123.04436	4.9
123.08041	5.2
125.02351	5.1
125.09608	5.0
127.03920	2.9
129.06995	6.6
131.08589	9.6
133.06482	2.7
133.08597	3.0
133.10120	6.5
135.08037	3.8
135.11761	1.7
137.09612	4.3
139.03905	3.8
141.01801	2.8
141.06976	2.8
143.08536	5.7
145.06473	3.0
145.09044	1.9
145.10146	6.7
147.08037	6.0
147.11681	7.0
149.05933	3.8
149.09610	3.8
149.13287	1.7
151.03847	3.6
153.07062	1.9
156.09254	1.8
157.10046	2.4
159.08089	2.4
159.11697	4.1
161.06000	1.9
161.09633	2.9
163.03952	1.8
163.11124	2.5
165.05473	2.5
165.09090	3.3
165.12717	5.4
167.08644	1.9
169.10068	4.1
171.07994	2.1
171.11749	2.6
173.05949	3.5
173.09586	4.3
175.11182	4.2
177.01860	6.5
177.09090	2.4
185.09576	1.9
187.11208	4.0
189.09003	2.2
191.10663	3.1
193.12288	6.3
197.09598	5.1
199.11304	2.3
201.05492	2.1
201.09103	2.3
203.07014	2.5
209.11717	3.4
211.13263	2.6
215.10536	8.3
216.17491	1.9
219.10269	1.8
225.09090	3.7
231.10106	1.8
233.11732	2.2
237.11368	2.5
243.10197	15.0
247.09573	1.8
259.09494	1.8
259.13263	3.9
261.11243	10.6
263.12708	3.7
267.12357	2.0
271.09607	3.8
273.18555	5.3
277.21606	7.1
279.12219	2.7
283.11774	1.8
285.16971	3.2
287.13052	2.1
289.10675	10.1
291.19635	11.9
291.22580	2.7
295.22476	2.2
297.13373	4.0
305.13950	1.9
307.11801	20.0
325.12778	100.0
326.12970	2.2
347.74600	1.8
351.25082	2.2
365.23203	5.5
373.23685	2.3
375.50037	1.8
387.21652	5.6
389.23386	2.1
417.22607	1.8
425.25446	2.2
429.44180	1.9
435.23782	8.9
453.24792	6.9
502.73294	1.8
527.28510	39.6
545.28619	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2952
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.6
55.01868	4.8
55.05508	6.9
55.16241	1.4
57.03433	2.9
57.07072	5.1
58.69529	1.4
59.04984	1.5
61.02925	1.6
67.05499	12.6
68.99799	1.7
69.03419	2.9
69.07078	3.3
70.06580	2.6
71.04987	1.6
71.75282	2.8
76.47786	1.3
79.05495	10.1
81.03411	5.0
81.07043	12.7
83.04958	1.8
83.08641	2.2
85.02920	1.9
85.10162	12.8
86.29252	1.2
87.83651	1.3
91.05474	9.5
93.03403	1.3
93.07033	11.1
95.01334	7.2
95.04959	8.8
95.08590	10.2
95.76584	1.3
97.02871	2.8
97.06528	2.4
97.10159	1.9
98.11077	1.3
105.03383	4.4
105.07056	7.2
107.04921	4.0
107.08567	5.3
109.02877	2.6
109.06516	1.7
109.10136	4.3
109.47515	1.3
111.04436	2.0
113.09636	10.8
115.05540	1.3
117.06998	4.3
119.08590	5.2
121.06547	2.1
121.10135	4.9
123.04431	3.2
123.08086	2.2
125.02331	4.9
128.06236	1.4
129.06982	3.8
130.04962	1.4
131.04906	1.4
131.08563	7.2
133.10141	2.9
135.04414	1.6
135.08041	3.4
137.09650	2.1
141.06958	2.3
142.07776	1.4
143.08563	4.1
145.06496	2.8
145.10143	4.0
147.08038	4.2
147.11708	2.5
149.05974	2.4
149.09505	3.4
151.11171	1.8
153.06960	1.5
155.08554	2.5
159.08034	4.0
159.11711	1.6
161.05977	1.6
161.09630	2.9
163.03918	3.6
163.07520	2.7
163.11165	1.5
163.32683	1.3
165.05473	1.5
165.09113	2.5
165.12737	8.0
169.10054	3.1
171.11694	2.5
173.05946	1.9
173.09631	4.2
175.07492	1.4
175.11327	1.4
177.01781	7.5
181.10194	1.9
187.11188	3.3
189.05440	2.4
189.09088	2.2
191.03229	2.3
191.10698	1.9
193.12340	1.3
197.04584	2.1
197.09637	3.4
201.05489	2.5
201.09154	2.4
203.07042	4.8
203.10777	2.2
205.12219	1.6
209.11768	2.8
215.10648	8.6
217.08582	1.8
217.12173	1.6
223.11038	1.5
225.09052	3.1
231.10124	1.3
233.11754	3.6
237.11209	2.8
243.10170	13.3
259.09460	1.8
259.13370	1.7
259.20544	1.6
261.11212	7.7
263.12640	1.7
267.12164	2.7
271.09589	1.9
277.14264	1.8
277.21548	11.4
287.12833	2.0
289.10678	9.8
295.22751	3.1
297.13345	3.0
305.13892	2.3
307.11722	11.9
325.12805	100.0
326.13272	2.3
351.25339	1.7
376.46542	1.4
379.24747	1.7
387.21561	4.1
389.23450	1.6
391.24316	1.7
399.21466	2.5
407.24283	2.4
417.22815	3.8
435.23795	8.0
453.24911	9.2
527.28601	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	545.2008
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02904	1.5
69.03421	5.4
70.06577	4.2
72.08160	2.5
79.05467	2.2
81.03400	1.9
81.07030	1.4
82.93678	0.9
84.08121	2.1
85.02890	10.6
85.61012	1.0
86.09702	2.7
91.05461	3.6
94.04176	2.7
97.02860	2.9
103.05438	2.7
105.07017	9.4
107.04922	1.4
109.02893	1.6
109.06529	2.6
109.73470	1.1
114.72976	1.0
115.05437	5.0
118.04153	1.9
120.08140	1.0
121.06452	1.2
122.03640	6.2
127.03874	2.0
128.06175	2.8
129.06999	1.6
131.04895	1.7
133.06461	6.3
135.04398	1.2
137.02376	2.4
137.05963	83.9
138.06296	1.2
139.05492	1.0
141.06943	2.1
145.06509	1.1
146.03622	4.1
147.04382	1.4
147.07974	1.0
149.05928	1.8
151.07472	1.1
156.05673	1.6
159.08041	2.3
161.05960	59.6
167.07030	1.5
168.05666	1.5
169.06430	1.4
171.08109	1.6
175.07530	2.2
178.07745	1.0
184.05148	4.3
187.07494	3.7
189.09093	1.9
191.08516	4.0
192.09285	1.0
195.31384	1.1
198.06726	1.5
199.07507	23.6
202.07794	11.0
203.08540	20.5
204.09288	2.6
205.06496	2.6
215.08571	1.1
219.08015	8.4
219.10057	1.7
220.08919	6.9
222.38080	0.9
230.07317	2.7
231.08038	31.6
232.08777	7.9
235.07658	1.2
235.11186	3.0
247.07555	6.8
248.08289	16.4
249.09047	2.4
258.06668	2.5
259.07523	24.1
260.08347	12.4
261.09091	2.4
262.09836	2.0
263.10660	17.6
265.08566	2.3
273.08878	1.3
275.06970	2.9
276.07806	12.4
277.08514	5.8
283.09763	1.2
284.06638	1.2
291.10114	100.0
292.10898	7.0
293.08084	3.3
295.09909	1.2
295.13168	3.0
299.05402	1.8
307.09564	1.9
308.10474	1.9
311.05453	7.5
323.05496	3.0
323.12747	58.7
324.13074	1.5
325.03351	5.3
325.07001	2.3
327.04959	3.2
337.07211	2.2
339.04965	2.9
339.08551	1.1
341.06436	2.8
351.04849	2.9
353.06360	1.4
355.04498	2.6
365.06537	1.8
365.14011	1.2
369.06042	1.6
377.06830	2.1
379.08218	1.6
395.07437	2.8
409.05051	1.3
449.33737	1.1
455.09830	4.6
463.10162	1.3
479.09711	1.2
481.11127	2.2
491.09412	1.6
499.12158	2.8
509.11249	6.4
509.18140	1.5
520.54004	1.0
527.11633	13.7
527.20172	5.4
545.12683	9.4
545.21570	5.9
555.13257	1.4
567.61420	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01124	1.2
53.03706	1.2
54.33120	1.1
55.01869	1.7
55.23193	1.3
56.05032	1.2
56.41730	1.1
57.03425	1.6
62.45897	1.2
69.03399	3.2
70.06580	4.7
71.73686	1.4
71.74107	1.6
72.08134	2.1
73.02888	1.3
77.27888	1.1
81.03388	3.7
84.04495	1.3
84.08125	3.8
84.42926	1.3
85.02895	13.4
86.09701	3.2
95.01321	5.3
97.02871	3.5
99.04460	1.7
104.96640	1.3
109.02810	1.4
113.02357	4.0
117.07018	2.2
118.06533	17.5
123.00763	2.3
127.03879	1.8
129.06967	5.0
129.10197	1.6
130.05048	1.7
130.06511	43.6
131.08624	1.2
136.10310	1.3
137.02310	1.6
139.03865	1.9
141.01784	7.1
143.07253	2.4
144.08066	34.4
145.06476	1.4
153.01846	1.9
154.06458	2.8
155.07167	1.3
156.08078	28.2
157.08852	2.4
158.06018	4.3
159.02870	4.4
160.07571	7.1
167.07291	1.7
168.08093	7.5
170.05963	3.3
170.09645	2.0
172.07553	100.0
180.08078	3.0
182.06004	6.1
182.09653	1.7
183.06833	1.3
184.07553	7.5
190.08607	43.1
194.06029	4.1
196.07518	8.8
198.05487	3.2
198.09082	1.6
208.07558	3.6
212.07054	5.0
214.08597	2.5
220.07646	2.5
220.73189	1.7
222.05568	6.5
223.04031	1.2
224.07072	8.0
226.08629	4.6
228.06487	6.3
232.09676	1.6
238.08519	3.2
240.06577	7.0
242.08090	2.5
244.09627	3.8
250.08609	1.6
252.06450	7.3
256.09607	2.9
262.10831	3.3
268.09708	2.0
270.07632	21.0
286.07751	1.4
286.10641	8.2
288.08597	32.7
306.09570	1.9
307.04428	1.4
311.05502	4.3
312.08731	8.2
320.11438	2.0
330.09637	21.1
341.06677	2.3
348.10727	38.0
365.06265	1.5
366.11789	5.4
407.07764	1.6
426.63663	1.4
443.09464	2.8
488.01132	1.4
527.12524	2.3
545.18317	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	545.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01846	1.8
57.03413	2.2
61.02908	1.6
62.72952	1.2
64.24261	1.3
66.75747	1.3
69.03425	5.5
70.06587	3.2
70.09969	5.6
70.10385	3.1
71.01363	1.7
71.04960	1.4
72.08155	1.7
73.02905	2.5
78.91989	1.4
81.03399	4.6
82.03791	1.4
84.08133	3.8
85.02898	17.0
86.09691	1.9
91.05482	2.1
95.01330	12.5
96.30141	1.4
97.02881	4.4
97.51085	1.3
104.26820	1.3
109.02853	3.9
109.10123	2.2
113.02316	7.3
118.06530	20.3
121.02831	1.5
123.04424	2.9
127.03890	3.3
128.06190	2.9
129.06987	23.4
130.06519	43.0
132.08119	2.2
134.06021	1.6
137.09570	3.2
139.05206	1.4
141.01799	2.6
143.07222	2.0
144.04425	4.6
144.08083	36.8
145.04866	1.6
154.06503	8.9
155.07237	4.2
156.08076	100.0
158.05986	3.7
159.02864	5.4
160.07582	20.7
168.08061	8.9
170.06000	4.1
172.07559	75.6
180.08058	3.8
182.05959	5.7
184.07555	8.1
186.05482	1.4
190.08614	20.2
192.08188	2.1
194.06071	1.9
194.09619	2.4
195.02921	1.8
196.07556	9.4
198.05435	2.2
198.09105	2.2
200.07095	1.7
208.07507	3.6
210.09039	1.5
212.07007	5.9
214.08612	1.4
220.07646	3.7
221.08221	1.8
222.05492	4.0
222.09125	4.6
224.07083	11.0
226.08665	5.2
231.09059	3.9
238.08612	3.1
240.06650	2.4
242.07925	3.0
248.07047	3.5
250.08618	11.8
252.06599	5.5
254.08044	1.8
257.07007	3.6
260.09097	3.2
270.07629	11.9
272.09146	1.7
273.18555	1.3
274.47873	1.4
275.07877	2.4
282.07922	3.9
282.58871	2.3
284.09299	2.0
284.78232	1.6
286.10712	3.6
288.08643	21.0
294.07513	7.2
299.05463	1.4
302.10159	1.7
311.05423	6.3
312.08630	34.2
320.11359	6.6
323.05542	1.9
330.09705	53.5
332.11227	23.7
337.06888	2.0
341.06390	3.2
348.10748	31.9
365.06451	2.6
366.11548	3.7
395.07870	1.5
407.07697	3.2
425.08560	3.4
430.20251	1.5
443.09631	3.7
527.11603	3.0
544.69354	7.8
545.18890	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	545.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03423	6.1
67.89793	2.2
69.03409	8.6
70.01329	17.5
70.06580	7.7
70.59219	2.5
72.08145	7.5
73.02882	4.5
81.03406	8.0
84.08125	5.8
85.02895	30.4
86.09686	3.3
91.05475	3.0
95.01334	5.2
97.02872	8.9
99.04438	4.0
109.02863	5.3
113.02375	11.8
117.05740	3.3
118.06532	40.6
127.03891	3.7
129.06993	6.1
130.06511	95.6
131.21857	2.7
132.08102	4.0
134.06009	2.7
135.04407	2.9
137.02298	2.8
137.09610	2.9
144.08069	88.5
145.04965	5.0
154.06461	14.2
155.07217	13.7
156.08080	24.3
158.05974	11.8
160.07600	14.3
168.08051	7.5
170.05922	3.4
172.06061	6.0
172.07547	85.5
180.07924	2.8
182.05977	2.8
182.29979	2.7
184.07541	16.1
186.05518	10.3
190.08615	100.0
196.07590	6.7
198.05472	4.9
208.07608	3.0
212.07008	8.2
214.08694	3.0
224.07056	7.6
242.08119	3.8
252.06612	3.8
254.08063	6.4
257.06900	3.2
260.09195	14.1
270.07681	4.1
272.09079	8.2
282.07806	3.0
300.08252	2.9
302.10172	7.0
311.05496	7.1
312.08615	6.4
320.11230	25.1
323.05466	5.2
330.09659	27.8
337.07089	6.2
348.10745	66.3
365.06433	3.8
366.11823	13.8
377.06302	2.9
413.08698	3.3
425.08807	3.3
443.09454	3.7
509.10437	4.7
527.11554	4.2
544.69098	8.5
545.18628	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	545.1289
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.6
55.01865	5.0
55.05502	4.0
57.03417	2.7
57.96075	2.0
59.04997	2.7
61.02921	3.6
67.05495	5.5
69.03429	7.1
69.07056	4.2
70.06582	10.5
70.69929	6.8
72.08134	3.3
79.05465	5.1
81.03401	7.6
81.07047	4.9
83.04950	2.3
83.08623	2.5
84.08146	2.7
85.02872	9.8
85.06539	3.3
86.09673	3.7
87.04451	5.6
91.05468	6.4
93.07034	5.4
95.04943	5.3
95.08593	5.7
97.02888	5.5
97.06525	2.6
97.10190	3.7
105.03394	12.1
105.07014	5.7
107.04955	4.6
107.08569	5.0
109.10158	3.9
114.10285	4.3
115.03920	4.2
117.06987	1.9
119.04955	9.7
119.08589	3.2
121.02855	37.8
121.10103	2.6
123.11687	3.4
127.03934	2.9
131.04893	2.5
133.06519	2.5
135.11627	2.7
137.02275	3.0
137.05974	13.3
137.09604	2.9
143.03287	2.5
145.02837	4.0
145.10132	2.2
147.11688	2.2
149.09578	2.4
161.06000	9.9
163.03851	3.4
164.88176	2.0
165.01797	3.2
167.03444	2.0
167.07088	3.8
171.11789	2.4
175.03885	2.7
176.07100	5.0
179.03394	2.8
189.01866	5.6
191.03468	3.7
195.02870	7.7
198.88412	2.3
199.07524	2.9
203.00769	1.8
203.03395	15.1
205.01315	2.0
205.04929	2.3
207.02943	5.6
215.03371	7.9
217.08630	3.4
219.02838	3.5
221.04384	6.7
226.46600	2.0
229.04898	2.4
231.08112	4.0
233.04451	4.2
235.02446	3.2
243.02866	3.8
249.03789	2.4
253.10052	8.9
259.07562	4.9
263.10648	2.8
266.05783	2.7
267.06506	5.8
268.07361	3.5
270.05386	2.0
279.06528	8.0
281.08066	6.8
283.05954	31.1
284.06644	3.4
291.07117	3.1
291.10043	12.4
293.08032	6.8
294.05118	5.0
295.06009	64.4
296.06601	5.4
297.07541	8.1
299.05661	3.6
307.06042	16.6
307.09143	3.6
308.06793	8.8
309.03885	6.7
309.07397	33.4
311.05396	7.8
313.06903	17.8
317.07883	3.1
320.06815	4.5
321.07529	45.4
321.11057	3.9
322.04703	2.8
322.08310	4.6
323.05453	12.8
323.09177	6.8
323.12781	6.8
324.06299	2.3
325.07065	21.3
333.07501	21.6
334.08286	2.4
335.05374	10.7
335.09247	5.5
336.06335	3.2
337.06961	28.2
339.04999	3.5
339.08600	4.7
341.06595	3.3
345.07425	5.5
347.05328	3.0
347.09229	6.0
349.07059	37.1
349.11151	2.8
350.07492	2.0
351.04855	12.3
351.08780	7.7
352.05569	3.2
353.06479	5.2
361.06976	20.8
363.04465	2.9
363.08508	6.9
365.06448	9.2
365.14679	3.0
367.08044	32.7
373.07245	3.8
375.04584	2.5
375.08752	5.0
377.06363	13.8
379.08041	17.3
381.06079	10.5
385.09055	7.5
389.06311	5.8
389.10342	5.3
391.08176	7.3
393.05823	2.2
395.07449	8.7
403.08075	5.6
405.05972	5.3
407.07578	28.6
409.09476	3.0
413.08557	3.2
417.09546	7.1
419.07516	11.4
421.09122	2.5
425.08618	33.1
431.07596	6.4
433.09030	2.4
435.06863	5.8
437.08707	16.9
445.09052	6.1
449.08585	8.3
455.09622	21.3
461.08398	5.5
463.10251	2.8
471.08975	3.1
473.08502	7.7
479.09698	100.0
479.89551	2.1
491.09686	66.9
509.10751	99.8
510.11203	2.4
527.11749	21.5
545.12872	8.1
545.21344	2.0
545.33289	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.1287
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	3.3
69.03411	5.7
70.00735	4.3
70.01136	1.9
70.06583	4.2
77.90424	0.9
81.03400	2.3
83.87177	1.0
84.08127	2.0
85.02956	0.9
86.09711	2.7
99.04434	1.0
107.04972	2.1
109.02873	2.1
110.07162	1.0
121.02872	2.1
135.04401	5.3
137.02325	22.8
137.03334	2.1
137.06020	1.8
151.07558	1.0
159.32861	1.0
161.02348	3.4
161.44254	0.8
172.25310	1.0
175.03871	1.1
177.01816	1.8
179.03404	1.3
189.01805	2.2
191.03413	1.6
193.01408	1.1
195.02834	6.6
203.03424	7.0
205.01324	2.9
207.02904	4.1
209.00766	5.0
211.02150	1.0
215.03438	3.7
217.01256	1.0
219.02919	4.2
221.00684	1.1
221.04469	2.8
223.02396	3.6
231.02896	4.0
235.02336	3.6
243.02882	1.4
247.02354	2.5
259.02301	2.8
259.06046	1.8
261.00427	1.3
269.04086	1.0
271.05920	1.2
273.03992	1.2
275.01862	1.6
277.03494	1.4
279.01367	1.5
283.06009	1.5
285.03922	1.6
295.06015	3.1
297.07684	1.3
298.04874	1.0
299.05502	5.5
300.06451	1.0
301.06979	2.0
303.04987	2.8
307.06091	1.1
309.07504	1.5
310.04614	1.6
311.05487	34.4
313.06894	2.8
323.05463	4.5
324.06238	3.7
325.03406	27.9
325.07089	8.6
326.03964	1.5
327.04965	13.4
329.06516	1.9
335.05453	1.7
336.06323	1.2
337.03528	1.5
337.07034	15.4
339.05026	12.9
339.08691	1.0
341.06516	7.4
343.04498	5.2
347.05420	1.7
349.06946	7.1
351.04971	7.0
351.08496	1.7
352.05545	1.4
353.06549	12.7
355.04456	3.5
355.08209	2.2
357.06039	3.5
363.04819	3.2
363.08859	1.9
365.06546	16.0
365.10513	2.2
367.04077	1.3
367.08054	2.9
369.05988	5.0
377.06461	8.9
379.04343	2.9
379.08521	2.1
381.05920	6.5
381.09888	0.9
383.03653	1.2
391.04105	5.3
393.05859	11.6
393.10031	1.4
395.07596	3.5
397.05295	2.4
405.05887	3.0
407.07391	1.8
409.05371	3.1
413.08728	1.9
417.09308	1.7
421.05493	3.1
423.06989	1.9
425.08685	44.9
426.09052	1.6
435.10815	1.3
437.08807	8.2
439.06171	1.4
449.09033	2.2
451.10260	3.2
455.09714	17.9
463.10196	3.8
479.09714	69.2
480.10120	1.7
481.11224	1.2
491.09738	16.5
509.10764	100.0
510.11383	1.9
527.11896	5.6
545.12567	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.1303
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	3.3
67.81628	1.5
69.03426	4.0
70.06583	16.8
71.06898	2.0
72.08150	4.7
81.03418	3.5
84.04481	3.5
84.08139	6.7
85.02899	3.3
86.09698	9.4
93.07024	1.6
97.02891	2.4
109.02861	2.3
110.07171	4.0
120.08099	2.5
121.02841	2.9
123.10338	1.6
127.03884	1.8
129.10233	4.1
134.68298	1.8
135.04425	6.0
137.02345	20.3
137.03363	2.5
137.05989	10.4
145.85141	1.6
159.09212	1.7
160.05339	1.6
161.02327	3.0
161.05995	4.3
175.07565	4.1
179.03400	2.3
180.47404	1.7
181.06650	1.6
187.03896	1.9
187.07529	2.5
191.03441	1.7
192.27034	1.5
193.01390	2.6
195.02902	4.9
203.03447	4.9
205.01347	2.8
207.02985	4.4
209.00807	3.1
211.02452	2.4
215.03348	2.9
219.02913	4.1
221.04495	2.7
223.02412	3.2
227.01865	2.2
229.04993	2.7
231.02948	3.6
233.04471	2.1
233.68440	1.5
235.02391	2.4
247.02510	1.7
259.02499	1.9
275.01877	1.7
279.01486	2.0
295.05920	3.8
299.05423	5.7
301.07135	2.4
303.05212	2.5
309.07388	1.8
310.04691	3.2
311.05460	30.8
311.08783	2.8
323.05670	4.8
323.12750	2.0
324.06317	2.4
325.03394	27.9
325.07123	8.5
327.04984	10.2
329.06384	2.1
336.06143	2.2
337.07172	12.4
339.05011	15.8
339.08658	2.9
341.06696	7.0
343.04495	4.5
349.07196	8.1
351.04840	5.8
352.05975	2.5
353.06534	11.5
355.04459	5.6
355.08304	2.3
357.06000	4.0
363.04871	2.9
363.08737	2.7
364.05807	1.9
365.06516	15.2
365.10504	2.5
367.03989	2.6
367.08218	3.3
369.06076	3.1
377.06512	8.6
379.08270	2.3
381.06030	5.4
383.03851	3.3
383.25311	2.8
391.04453	4.1
393.06143	10.7
395.07672	4.0
397.05414	2.2
402.57693	1.8
403.04211	2.2
407.07455	3.8
409.05017	2.8
409.09775	3.0
417.09543	2.3
421.05075	2.2
423.07104	2.4
425.08694	44.1
425.14221	3.7
437.08694	12.0
451.09610	2.6
455.09689	17.2
463.10272	3.9
479.09720	44.1
491.09695	19.9
497.10291	1.8
509.10767	100.0
510.10941	2.7
527.11670	10.1
527.19714	3.0
545.18878	34.4
545.30548	3.3
556.54681	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.6
55.52592	0.6
57.03384	0.6
58.97050	0.6
62.56595	0.6
67.05488	0.6
69.03418	1.3
69.62246	5.2
70.06596	3.8
75.04459	3.0
79.05482	2.6
81.03400	1.7
81.07052	0.9
84.08131	1.5
85.02901	2.1
86.09689	0.7
91.05499	0.8
92.86176	0.6
93.71452	0.5
95.08589	0.8
98.06051	1.4
98.20658	1.0
101.39490	0.5
103.05430	1.2
105.06334	1.2
105.07020	20.9
109.10168	0.8
117.05744	1.4
118.17110	0.6
119.08567	2.1
121.06490	0.7
123.08062	4.1
127.03872	1.3
130.08609	4.2
131.07289	17.3
132.08075	14.2
133.07578	1.2
133.08662	0.6
133.10059	0.6
134.09628	0.6
137.02267	0.7
144.08057	2.1
144.88016	0.6
145.08861	5.0
145.09956	0.9
146.09631	100.0
147.10014	1.0
148.11139	0.9
149.09631	0.6
158.09622	10.3
159.10390	1.4
160.07578	5.4
160.11198	41.4
161.08322	1.3
162.09117	1.2
162.12807	0.7
172.07628	1.8
176.07112	0.9
186.09108	0.8
188.10683	6.1
190.08662	1.2
190.12199	4.8
192.10164	19.1
192.13837	3.1
206.11780	2.4
218.11711	5.9
220.13309	3.1
236.12767	4.8
246.11275	2.4
248.12869	2.5
250.14360	10.3
264.12277	18.3
278.13849	82.9
279.14130	1.0
296.14893	16.0
303.09698	1.3
311.05469	0.8
383.11179	0.9
424.06564	0.6
425.08682	0.9
437.08621	0.6
479.09656	1.1
509.10403	1.6
512.17133	0.8
544.30719	1.1
569.70715	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.169
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.6
55.01872	0.5
55.05499	0.9
57.03424	0.6
57.07076	0.4
61.02905	0.4
67.05502	0.5
69.03417	1.3
69.07065	1.4
70.04068	100.0
70.06581	0.6
71.04412	0.3
71.04986	0.5
71.73499	0.3
72.08109	0.3
73.02916	0.5
78.08731	0.2
79.05488	0.2
81.03406	1.8
81.07053	0.6
83.08617	0.9
84.08114	0.3
85.02900	4.0
87.00824	1.7
87.04449	0.3
89.06026	0.7
91.03933	0.3
91.05466	0.4
95.08624	0.5
97.02882	2.3
97.10167	0.3
99.04448	0.8
99.08095	1.1
101.07032	0.2
105.01864	1.7
105.07041	0.3
107.08598	0.5
109.02865	1.6
109.10172	0.2
115.03938	0.4
117.01890	0.3
117.09179	0.2
119.08569	0.3
121.10229	0.2
127.03903	2.2
129.01817	0.3
131.08563	0.3
133.08594	0.4
137.06126	0.2
145.04941	1.3
159.02892	0.5
183.10129	0.3
225.11314	0.3
227.08296	0.4
231.05057	0.6
349.59045	0.2
381.42419	0.2
411.63495	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3677
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02364	1.3
53.03934	2.3
55.01854	3.0
55.05509	14.7
57.03419	2.8
57.07078	2.0
65.03928	1.1
67.05500	36.2
69.03432	2.1
69.06734	1.2
69.07067	11.5
69.68803	7.5
71.04980	2.6
79.05486	43.4
81.03408	3.4
81.07051	33.5
83.04974	3.5
83.08613	9.4
85.06516	1.2
91.05473	19.5
93.07040	53.0
95.04945	9.5
95.08599	46.6
97.02891	2.8
97.06535	4.8
99.04434	2.0
105.07021	13.0
107.04967	7.1
107.08582	31.4
109.06500	2.5
109.10137	7.8
111.08121	1.5
115.05457	1.6
116.06284	1.1
117.06995	13.3
119.08572	12.7
121.06504	4.4
121.10140	18.7
123.11681	1.0
125.05975	3.1
129.06964	1.3
130.07771	3.3
131.08543	5.4
133.10126	6.9
135.08098	2.2
135.11684	43.3
137.13194	1.4
143.08589	2.0
145.10115	27.0
147.11690	2.8
149.13277	2.9
157.10158	1.2
159.11697	3.2
161.13257	3.0
163.11171	54.2
165.96979	1.0
173.13297	1.7
181.12221	12.1
187.14804	1.2
204.90053	1.0
209.11797	2.2
227.12764	100.0
243.21237	1.9
261.22098	5.6
267.61261	1.0
275.20099	2.1
306.17877	1.0
314.20831	1.0
317.24738	2.9
320.86151	1.2
525.36035	1.6
531.35913	1.0
536.53998	1.3
543.36804	55.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.169
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.5
55.01868	1.0
55.05509	0.9
57.03424	0.4
57.07067	0.4
59.04966	0.3
61.02903	0.3
67.05496	0.6
68.99791	0.3
69.03423	2.1
69.07061	1.2
69.78959	0.9
70.04070	100.0
70.06559	0.8
71.03812	0.2
71.04400	0.2
71.04985	0.6
72.08144	0.2
73.02911	0.5
79.05504	0.4
79.86253	0.2
81.03423	1.9
81.07051	0.4
83.04988	0.2
83.08609	1.6
84.08147	0.4
85.02896	5.2
87.00819	2.2
87.04477	0.3
89.06023	1.3
91.03973	0.3
91.05471	0.4
93.07046	0.2
94.95416	0.1
95.08588	0.3
97.02873	2.4
97.06499	0.2
97.10165	0.5
97.67230	0.1
98.20728	0.1
99.04453	1.1
99.08060	1.2
105.01858	1.9
105.07040	0.3
107.08619	0.3
109.02863	2.4
109.06558	0.2
109.10149	0.2
115.03934	0.4
117.01853	0.2
117.07006	0.2
120.08158	0.1
121.10119	0.2
125.02373	0.2
127.03912	3.4
129.01840	0.3
129.10197	0.1
133.08586	1.0
133.10190	0.2
145.04924	1.7
147.02971	0.2
159.02847	0.9
159.11694	0.1
161.04507	0.2
177.11288	0.4
183.10223	0.2
189.04013	0.2
195.10201	0.4
195.12212	0.3
213.04051	0.2
225.11209	0.5
227.08270	0.7
231.05084	0.7
243.12361	0.2
247.04468	0.2
291.39130	0.2
326.13342	0.2
329.12329	0.2
347.28073	0.2
492.28677	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	543.3675
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.8
55.01858	3.1
55.05508	15.1
57.03413	2.5
57.07056	2.8
65.03939	1.9
67.05497	38.4
69.07063	14.2
70.07424	1.2
71.04976	2.3
71.08621	2.6
71.76276	1.6
79.05488	50.2
81.03395	2.5
81.07051	37.5
83.04987	3.9
83.08611	11.3
89.05979	1.8
91.05468	25.2
93.07038	62.7
95.04970	9.3
95.08006	2.7
95.08598	46.2
97.02869	4.5
97.06507	4.1
99.04440	2.5
105.07024	18.9
107.04961	8.1
107.08585	35.7
108.92864	1.2
109.06552	2.7
109.10192	9.1
109.10835	1.6
111.08075	2.7
117.07001	13.1
119.08565	15.6
121.06506	5.4
121.10138	20.3
123.08064	2.0
125.05956	3.4
130.07784	3.4
131.08557	8.5
133.10088	6.8
135.08167	1.2
135.11681	45.7
137.13327	1.4
143.08554	3.0
145.10117	28.7
147.11653	4.7
149.13252	3.4
159.11671	4.4
161.13258	3.7
163.11171	47.6
173.09598	1.9
173.13240	2.9
175.14825	1.9
181.12234	11.8
227.12762	100.0
237.26157	1.2
240.97899	1.2
243.21243	1.6
261.22104	8.6
275.20007	1.3
288.59689	1.3
317.24881	3.0
434.32120	1.4
469.33127	2.2
525.35583	2.3
540.83234	1.4
543.36749	58.3
544.36395	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3498
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	1.4
67.05500	1.8
69.07053	1.3
70.01756	1.6
70.02165	4.1
71.08611	1.1
74.51585	0.8
79.05489	2.1
79.79300	0.7
81.07031	1.9
83.08629	0.9
91.05470	1.1
93.07036	2.2
95.08592	1.7
99.22868	0.8
105.07025	1.2
107.08575	0.9
117.06974	0.8
119.08573	1.4
133.10194	0.9
160.26289	0.7
239.61761	0.9
251.18474	1.0
401.97757	0.8
542.54626	0.9
543.34985	100.0
544.35352	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	543.2798
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.4
55.01872	4.4
55.05505	9.0
57.03429	2.8
61.02929	1.6
67.05499	9.5
69.03422	5.7
69.07059	5.0
69.74326	5.0
69.74753	1.4
70.04072	100.0
70.06589	2.4
71.04982	2.0
73.02912	1.2
79.05490	6.6
79.87697	0.7
80.56448	0.8
81.03410	7.5
81.07054	9.5
83.04976	2.5
83.08624	7.3
84.08134	2.3
85.02896	8.9
87.00826	2.3
91.05472	8.0
93.07036	7.5
95.01318	2.4
95.04947	3.7
95.08611	6.1
97.02881	6.5
97.06540	2.8
97.10161	2.2
99.04449	1.7
99.08115	2.2
103.05411	1.1
105.01862	2.5
105.03381	1.9
105.07007	7.1
107.04962	3.6
107.08605	3.4
108.31394	0.9
109.02876	4.6
109.06534	2.3
109.10180	4.1
111.04433	1.0
111.08086	2.3
115.03918	1.6
115.05464	1.1
117.07014	2.5
119.04908	1.0
119.08559	5.1
121.06521	1.8
121.10130	3.5
121.50159	0.9
123.04438	1.3
123.08097	1.3
123.11720	0.9
125.02357	2.3
125.09608	1.5
127.03915	5.5
127.11207	2.4
128.06192	1.2
129.07024	2.6
131.08545	4.2
133.06479	2.0
133.10138	4.2
135.04434	1.2
135.08072	2.1
135.11659	1.4
137.05945	1.5
137.09584	2.6
137.53622	0.9
143.08537	2.0
145.04942	2.3
145.06450	1.9
145.10100	3.7
147.04402	1.6
147.08058	1.6
147.11681	2.8
149.09608	1.5
151.03827	0.9
155.08546	1.1
157.10139	2.1
159.02930	1.3
159.08035	2.1
159.11717	2.5
161.05962	1.0
161.09637	2.2
163.03970	1.8
163.11130	2.2
165.09030	1.2
165.12747	3.2
169.10121	1.5
171.08170	1.2
171.11700	1.8
173.06032	1.1
173.09633	3.9
173.13312	0.9
177.01849	2.4
183.10205	1.0
185.09669	1.3
187.11163	3.0
197.09724	2.3
200.11708	1.2
201.05434	0.9
203.06992	1.9
203.10617	1.1
205.08609	0.8
211.11087	1.2
213.16321	0.9
215.10718	3.4
217.08525	0.9
225.09201	1.3
227.36633	0.9
243.10248	4.5
247.16864	1.0
261.11151	3.6
261.18268	1.4
271.09439	1.3
275.20065	2.9
289.10712	3.2
289.18036	2.3
307.11649	4.9
308.26697	0.9
311.84976	0.9
325.12784	20.0
363.21716	2.6
368.25473	1.9
369.26300	1.8
381.22665	2.1
415.21347	1.3
433.22159	4.2
451.23178	3.4
507.25864	1.2
525.26892	11.6
543.27863	4.3
557.86407	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.1838
Annotation	Unknow
Peak:m/z	Relative Intensity
60.71035	0.3
61.24994	0.3
70.06576	2.2
71.40980	0.5
84.04509	0.3
84.08134	1.3
85.02890	0.4
86.09695	0.8
90.56651	0.3
97.58530	0.3
110.07135	0.5
120.21922	0.3
129.10229	0.5
131.04944	0.4
137.05978	1.9
203.05324	1.6
219.08076	0.3
229.11581	0.3
251.10637	0.3
363.12247	0.9
447.05408	0.3
543.18347	100.0
544.18524	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	2.4
57.03653	0.6
58.87439	0.3
61.02902	0.7
67.05466	0.7
67.06000	0.3
68.04996	0.4
68.31692	0.3
68.42938	0.3
69.03387	1.3
70.06585	42.7
70.50105	0.3
71.06855	0.4
72.08113	1.6
73.02917	4.9
78.38390	0.3
79.05465	0.9
81.03370	1.3
84.04477	0.9
84.08094	1.4
85.02895	2.1
86.09666	1.0
91.05466	0.5
97.02854	1.4
97.07146	0.4
97.07644	4.4
105.03369	0.4
107.04937	3.3
109.02827	1.3
109.10105	1.1
110.10467	0.8
116.07080	16.6
117.05717	1.0
118.06463	1.0
125.07046	0.5
127.03868	0.5
129.10188	1.0
130.06499	1.1
131.05006	0.4
137.09563	1.6
138.09906	1.0
143.08160	4.4
154.81104	0.3
157.07568	1.7
165.09152	0.6
166.09395	0.8
168.08023	0.8
185.10722	30.9
201.11227	0.5
204.10181	13.4
231.11266	7.6
232.09741	0.7
249.12325	100.0
250.12631	1.8
327.14105	0.5
328.14633	1.1
332.37372	0.4
345.15271	0.5
346.15814	1.0
411.17596	84.1
412.17712	1.9
543.21863	38.1
544.22150	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.1497
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03905	1.2
57.03432	3.3
60.02656	0.4
60.30491	0.4
61.02910	2.4
65.03907	0.4
68.99760	1.0
69.03419	2.6
70.06595	1.7
71.74381	0.5
72.05867	0.4
72.08115	0.6
73.02878	1.0
77.03912	0.4
78.22539	0.3
79.05476	0.5
81.03407	2.1
84.08124	4.1
85.02900	7.1
86.09663	1.3
91.05455	0.8
93.03386	0.5
95.04914	1.5
97.02837	1.6
103.03896	1.5
103.05463	2.1
105.03378	22.8
105.06985	0.6
106.51414	0.4
107.04944	2.6
109.02875	3.0
115.05389	0.6
119.04887	1.3
121.02844	1.8
121.06476	0.7
127.12279	1.0
129.03348	3.4
131.04871	1.1
133.06464	0.6
135.04376	1.0
141.01753	0.5
141.06860	0.4
143.04842	0.5
145.06483	0.5
147.04353	1.5
149.05904	0.6
155.04883	0.6
159.04343	1.0
161.02267	0.8
161.05898	0.7
165.01765	0.6
169.06476	0.4
171.04375	1.2
173.05933	0.9
175.03883	2.9
177.01756	2.1
177.05428	0.5
179.03302	0.9
183.04301	0.6
185.05978	0.5
187.03874	1.3
188.60133	0.4
189.01828	4.8
189.05417	1.3
191.03355	2.3
193.04916	0.5
194.02103	0.4
195.02875	8.7
197.05910	1.1
199.03864	1.7
201.01776	0.4
201.05469	2.1
203.03357	13.2
204.03999	0.6
205.04897	2.0
207.02846	5.3
209.04388	0.8
211.03870	1.0
213.05435	0.9
215.03412	2.9
215.06995	0.4
217.04909	6.5
219.02872	1.2
219.06509	1.5
221.00949	0.4
221.04375	7.0
221.06229	0.6
223.04027	0.4
225.05457	1.0
227.03484	2.1
227.06943	0.6
229.04939	6.0
231.00833	0.4
231.02853	1.6
233.04375	1.3
235.05991	1.0
237.05489	0.6
238.06194	0.5
239.03497	0.4
239.06969	0.7
241.04970	1.3
243.02855	1.8
243.06476	1.0
245.04449	1.7
247.02190	0.4
247.05922	0.6
249.09239	0.5
250.06264	0.5
251.07007	1.4
252.07695	2.6
253.04979	1.0
255.02841	3.5
255.06581	0.5
257.04459	1.8
259.06058	0.5
261.03876	0.9
261.09106	0.4
263.07059	3.6
263.09723	0.5
264.07816	0.8
265.04874	0.4
265.08572	1.4
266.05630	0.8
267.02930	1.1
267.06512	6.7
269.04398	0.9
271.05869	0.7
273.03949	1.8
273.09036	0.5
274.09976	0.4
275.07233	1.0
276.07782	1.6
277.05338	0.7
277.08603	3.0
278.05713	6.0
279.06491	100.0
280.07123	4.5
281.04422	1.2
281.08051	3.3
283.06049	1.0
285.03949	1.8
285.09045	0.7
287.06924	0.5
288.07733	1.3
289.08548	2.9
290.09271	0.8
291.06494	52.3
292.07211	6.5
293.04565	1.1
293.08017	11.2
294.05127	0.6
295.05817	2.2
297.07635	1.4
301.08594	3.9
302.09280	1.2
303.06464	5.2
303.10068	2.1
304.07233	6.3
305.08044	52.5
306.05252	0.8
306.08777	5.6
307.05981	4.2
307.09634	2.3
309.04138	1.2
309.07513	30.7
310.07761	0.5
311.05573	0.4
312.07739	0.6
313.08612	2.8
315.06403	2.1
315.10120	1.4
316.07309	1.6
317.08060	16.3
318.08762	1.6
319.06006	2.7
319.09583	24.1
320.06741	2.5
320.10342	1.2
321.07550	12.2
321.10986	1.0
322.08060	0.4
323.05469	0.9
323.09116	1.3
325.07376	0.4
326.09326	0.9
327.05344	0.5
327.10233	1.1
328.07260	0.7
329.08054	6.6
329.11813	0.5
330.08920	2.7
331.05920	2.6
331.09583	21.2
333.07535	68.2
334.08005	1.5
335.05579	0.5
335.09097	7.1
337.07111	1.3
339.09579	0.4
341.08063	3.6
341.11685	0.5
343.06070	0.7
343.09595	3.1
344.06815	1.1
345.07541	37.3
345.11206	4.2
346.08173	1.3
347.09082	9.7
349.06891	1.2
349.10706	5.3
351.08569	1.7
351.39026	0.4
354.08289	0.7
355.09808	2.2
357.07535	13.5
357.11060	0.8
358.08258	3.0
359.05347	1.2
359.09094	14.4
359.12720	0.9
361.06839	1.6
361.10785	2.0
362.07797	0.7
363.08594	17.7
369.07446	7.3
369.11249	0.6
370.08112	0.9
371.09085	6.1
373.06870	1.6
373.10745	6.7
375.08597	38.9
376.08978	0.6
377.10144	2.4
379.08475	0.5
381.09921	0.8
383.09106	3.4
385.06961	0.8
385.10876	6.1
387.08569	25.8
388.09045	0.8
389.10358	1.9
391.07983	0.8
393.09634	30.1
395.08920	0.9
397.10757	2.7
399.08493	8.5
400.08936	0.4
401.10205	4.4
403.07596	0.5
403.12186	0.7
405.09662	15.5
409.09283	1.0
411.10779	65.8
412.10797	0.7
413.10046	2.0
415.12045	1.9
417.09659	5.3
419.11224	0.8
421.09207	0.6
423.10733	18.5
425.10144	1.3
429.09619	13.1
431.11371	0.7
433.12796	1.3
435.10690	1.0
439.10562	0.5
441.09702	7.6
443.11343	1.6
447.10699	10.2
453.10016	2.9
459.10678	7.0
461.12238	1.1
465.11786	37.7
466.12134	0.8
471.10709	7.4
477.11731	9.8
479.13361	0.9
481.11044	0.5
483.12704	2.3
489.11743	14.6
490.12466	0.5
495.12811	32.5
496.12646	0.4
507.12820	47.9
508.13168	0.7
513.13770	1.1
525.13885	54.2
526.14124	1.1
543.14948	34.4
544.15143	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.132
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	1.6
69.03422	1.4
69.96784	7.8
70.06590	2.0
73.02985	1.2
76.32291	1.0
81.03400	1.7
85.02904	2.0
86.57552	1.2
98.97585	1.4
101.00906	1.4
115.76498	1.3
119.01928	4.6
121.87957	1.1
131.01897	2.7
143.01860	3.0
145.01587	1.5
145.03505	2.3
155.01944	4.4
157.03500	3.5
161.02968	4.5
173.02951	7.7
181.01981	2.4
181.03378	8.4
185.02985	3.8
186.91748	1.8
193.03442	1.8
196.04694	1.1
198.97543	6.5
199.04489	14.0
200.04680	1.4
203.04085	3.4
211.04556	3.7
216.98640	1.7
221.05115	3.3
221.76094	1.5
223.04590	5.0
235.04683	1.3
241.05614	2.2
245.05153	4.1
245.35100	1.2
246.99785	1.5
247.04924	2.9
255.23019	1.4
258.99725	2.7
282.99811	3.3
283.06805	3.4
301.00739	11.7
319.01871	2.3
328.39713	1.4
363.02414	10.2
363.06970	3.1
381.03445	20.1
381.08105	14.7
399.04703	2.4
543.13367	100.0
544.14093	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	543.1323
Annotation	Unknow
Peak:m/z	Relative Intensity
62.01824	0.6
66.78819	0.5
69.03403	0.6
70.06585	1.0
71.48875	0.8
80.79598	0.5
85.02907	1.2
97.02903	1.1
98.97585	2.1
112.99143	0.9
116.98630	1.1
119.01934	1.3
122.06722	0.5
131.00220	1.3
136.06207	1.4
143.01860	0.6
145.01703	0.8
145.03491	0.6
147.04320	1.2
149.01189	1.2
155.01935	1.2
161.03015	1.0
163.02782	1.2
173.01303	0.9
173.02917	1.1
174.96944	0.7
185.02910	0.6
187.02783	1.0
191.02234	0.8
193.03865	0.8
198.97313	0.6
199.04599	0.7
203.04099	0.8
211.04727	0.7
211.14862	0.6
219.01656	0.9
219.07265	0.6
221.05157	0.9
223.34412	0.6
231.07072	0.9
234.98997	1.1
237.02921	0.8
245.05070	1.6
245.47026	0.6
247.04980	2.1
277.00272	1.5
279.03683	0.8
307.01135	0.8
321.04929	0.8
321.10291	5.9
337.08072	2.3
353.05273	0.7
355.09323	2.1
363.06711	2.1
381.03296	0.8
381.07858	17.1
501.59521	0.7
543.13208	100.0
544.13599	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	543.1131
Annotation	Muraxanthone
Peak:m/z	Relative Intensity
52.12559	0.8
53.03937	2.1
55.01862	8.4
55.05504	5.5
57.03423	4.6
61.02915	3.9
65.03928	1.9
67.05493	9.3
69.03424	6.9
69.07064	4.4
69.41083	1.4
69.41492	8.8
70.06585	12.7
71.04984	2.5
72.08141	2.1
73.02917	1.5
79.05490	7.1
81.03405	11.3
81.07044	10.7
83.04964	2.6
83.06087	1.1
83.08608	2.7
84.04488	1.1
84.08145	5.1
85.02895	7.1
85.06522	2.5
86.09695	2.5
91.03970	1.6
91.05459	8.2
93.07028	8.4
95.04951	3.7
95.08600	7.2
97.02870	4.6
97.06524	3.4
97.10158	4.7
99.04441	2.7
101.02355	6.4
103.05457	1.3
105.07014	9.1
107.04953	3.0
107.08578	6.3
108.52023	0.8
109.02868	2.3
109.06497	4.9
109.10135	6.4
110.07077	2.1
111.04414	2.2
111.08104	1.3
112.08759	1.4
114.10288	1.8
115.05396	1.6
116.92341	1.0
117.06994	2.9
119.04939	4.4
119.08556	7.0
121.02850	45.9
121.03789	1.5
121.06496	1.8
121.10136	4.9
123.08067	5.2
123.11703	2.0
125.09621	2.6
127.03898	5.1
128.06194	1.1
129.07002	1.9
129.10229	1.4
131.04964	1.5
131.08524	3.5
133.06497	2.0
133.10135	4.8
135.08086	2.4
135.11644	1.5
136.07579	1.1
137.05942	1.9
137.09605	3.6
139.03885	1.4
139.11093	1.0
141.06998	1.3
142.07747	0.9
143.08545	2.6
145.02817	2.2
145.06479	1.3
145.10094	4.6
147.04364	1.2
147.08015	1.8
147.11688	3.6
149.02280	1.5
149.05954	1.1
149.09625	3.3
150.02713	1.2
151.07516	1.9
151.11189	1.5
153.09233	1.0
155.08495	2.1
157.10092	2.4
158.77660	0.9
159.04395	1.2
159.08064	3.2
159.11693	3.4
161.05894	0.9
161.09596	2.2
161.13046	0.9
163.03868	1.3
163.11151	1.2
165.01770	0.9
165.09126	2.3
167.06972	0.9
169.10042	2.0
171.11713	2.7
173.04436	5.0
173.09589	15.9
173.13245	1.5
175.03976	0.9
175.11147	1.8
175.14774	1.3
177.01874	0.9
177.05440	0.9
177.09094	0.9
179.03406	1.0
181.10062	1.1
183.11621	1.8
187.03857	1.7
189.01849	1.8
189.05510	0.9
189.11139	1.3
191.03339	1.7
195.02917	2.4
197.09468	0.9
197.13216	1.1
199.14784	1.4
201.12784	1.0
203.03323	3.1
203.07024	1.2
207.02896	3.1
215.03337	2.7
215.18011	1.4
217.01212	0.9
217.04858	1.3
217.08510	1.6
219.02882	1.4
221.04507	1.3
221.15324	2.9
225.03738	0.9
225.16251	1.1
227.12611	1.5
231.02821	1.3
233.04379	1.7
239.16335	2.9
241.04977	1.2
243.02916	2.8
243.17387	3.0
245.04321	1.7
245.15602	1.2
247.02385	1.4
247.16962	1.3
253.15813	1.9
261.03824	2.5
261.18546	4.2
263.16467	2.4
265.17896	1.1
267.06537	2.6
268.07306	2.8
269.04504	2.0
271.02386	1.7
271.16849	7.5
273.03937	2.5
279.06552	3.7
280.07333	1.2
283.05902	7.4
284.06766	1.0
285.03772	1.6
287.05475	2.3
289.03195	1.2
289.18015	6.1
291.06458	2.3
292.07220	1.1
293.08063	3.1
294.05182	2.9
295.05975	19.8
295.19083	1.0
296.06750	4.8
297.04221	1.4
297.07596	4.0
301.03363	2.4
303.06265	1.0
305.07974	2.4
306.08768	1.9
307.05991	11.3
307.09473	1.3
307.19199	1.0
308.06628	4.1
309.07520	8.6
310.04648	1.8
311.05386	1.3
313.20001	3.7
315.05109	1.7
317.02774	1.9
317.07901	1.9
319.05893	3.0
320.06610	2.0
321.04047	1.8
321.07535	14.6
322.04947	1.6
322.08334	4.4
323.05423	6.5
323.08817	2.0
324.06235	1.6
325.03461	2.1
325.06985	17.7
327.04874	1.2
333.07523	11.2
334.08197	3.2
335.05353	3.2
335.09088	3.4
335.22198	3.2
336.06400	1.6
337.07028	6.8
337.20087	2.6
339.08597	1.8
341.06552	1.5
343.04343	1.2
345.07385	3.4
345.20572	1.9
347.05334	2.2
347.09064	1.4
348.06201	1.2
349.07016	10.7
350.07797	1.4
351.08719	4.7
353.02817	1.6
353.06683	2.8
357.06171	1.7
361.06995	12.0
362.07672	2.2
363.08630	5.1
363.21545	9.6
365.06433	1.5
365.10468	1.4
367.04160	1.3
367.08160	1.7
369.05936	1.8
371.03821	1.5
373.07059	2.4
375.08740	2.3
377.06387	4.3
379.08151	4.1
381.22675	8.2
387.08835	1.8
389.06555	5.1
391.08047	7.0
393.05539	1.5
393.09882	2.0
395.07394	1.9
405.05829	3.2
405.10153	2.2
407.07388	3.6
411.07065	1.7
415.08322	1.6
419.07541	9.0
421.09070	2.2
423.07022	52.3
424.07413	2.7
433.09491	5.2
435.07132	15.8
443.07623	4.3
447.06561	5.2
449.08673	4.7
451.23013	1.3
453.08118	15.6
461.08578	7.4
462.08759	1.1
471.07150	2.5
477.08121	74.5
478.08496	3.2
489.08096	40.8
490.08777	1.4
493.57840	1.2
507.09171	100.0
508.09549	3.6
511.17963	1.1
525.10095	7.1
525.26782	2.2
543.30786	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	543.0863
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91563	1.2
53.03931	4.7
53.80381	1.4
56.96545	1.8
69.03427	1.7
70.49251	2.5
70.49653	6.2
77.00901	3.1
80.13006	1.5
81.03416	9.7
85.02890	4.3
93.05921	1.6
97.02879	4.5
98.20676	1.5
98.97540	1.8
101.00850	6.3
109.02835	1.7
110.97571	1.6
112.25101	1.4
119.01910	22.9
127.03872	2.3
131.01918	12.6
133.03452	2.4
137.02928	5.3
139.02388	3.4
143.00131	3.8
143.01869	14.0
145.03448	7.2
149.02928	3.5
155.00200	2.1
155.00591	2.1
155.01874	18.9
157.03447	20.1
158.28413	1.4
161.01357	3.3
161.02933	21.5
163.04517	1.8
165.04398	1.6
167.01866	3.4
169.03435	1.7
173.01399	1.6
173.02936	38.7
174.97461	1.7
175.04506	9.1
179.02087	1.3
180.05069	2.5
181.03441	41.1
185.02956	21.3
189.98918	2.1
191.02318	1.6
191.03983	5.2
193.03474	8.3
195.05008	4.2
197.02866	3.6
198.97568	28.2
199.04503	73.6
200.04630	2.8
203.03969	12.4
205.03450	2.2
211.04503	15.6
215.03947	3.0
216.98647	11.5
221.05026	19.9
222.06093	3.7
222.97581	5.0
223.04471	29.6
223.06474	2.9
224.99146	3.2
228.98688	8.2
229.05518	3.1
235.04431	7.0
236.99132	1.5
240.98589	8.3
241.05562	22.5
243.00505	1.7
244.06718	2.5
245.05058	16.2
246.99730	3.6
249.02844	1.9
252.98550	2.3
253.05534	4.3
257.05331	1.5
258.99634	13.6
263.06052	1.8
264.98734	2.4
265.05646	3.2
267.00266	1.8
271.06696	2.8
277.00809	4.0
279.00125	2.4
282.99680	17.1
283.06577	17.6
293.07156	3.0
301.00729	57.5
302.01001	2.8
319.01767	28.3
324.02191	2.9
342.03528	2.0
345.01416	2.8
346.95834	3.2
363.02286	57.1
372.43365	1.4
381.03360	100.0
382.03479	3.9
399.04440	14.2
404.05212	1.7
408.97510	5.4
422.05917	3.1
463.06140	7.0
463.12070	1.7
543.07068	24.4
543.14447	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	542.3214
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84777	0.5
55.05496	2.1
56.05019	1.1
57.03414	0.7
57.07055	1.0
58.06587	0.8
60.08169	5.7
65.03944	0.7
67.05505	6.3
69.07059	2.5
69.97302	0.6
70.06628	0.6
71.04987	0.5
71.07372	4.2
71.08632	0.6
79.05481	2.2
80.33864	0.6
81.03432	0.6
81.07042	5.4
82.24768	0.6
83.08610	1.8
86.09704	21.9
89.06044	0.6
91.05492	1.5
93.07037	2.2
95.08595	4.1
97.10155	0.8
98.20686	1.7
98.98457	1.3
104.10737	100.0
105.07017	1.7
105.11110	0.6
107.08577	1.6
109.10165	1.3
114.10332	0.8
121.10152	0.6
133.10104	0.7
135.11722	0.9
146.98178	11.1
155.01021	2.1
173.79861	0.5
174.88591	0.6
176.99182	0.7
215.82141	0.6
218.02451	0.5
297.70331	0.6
300.26260	0.9
337.27469	1.7
340.75015	0.5
349.27246	0.9
365.11682	0.7
439.22061	0.8
483.24817	48.5
484.25186	1.3
532.08521	0.7
542.32062	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	542.3109
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07072	8.9
58.06587	1.2
65.03911	0.9
67.99039	0.8
70.06585	19.0
71.08630	2.3
71.75509	1.1
88.07626	22.9
102.09170	15.8
105.03384	18.4
105.04060	1.7
149.02342	13.3
149.05963	73.6
150.06320	0.9
175.03946	1.1
181.06505	2.2
193.04990	11.0
205.98848	0.8
213.38719	0.9
219.06578	0.9
228.23210	62.7
297.07550	14.2
341.10175	60.1
342.10574	1.8
359.09152	0.9
542.31097	100.0
543.31689	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	542.2973
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01849	0.7
55.05479	1.0
57.03429	0.5
60.11682	0.4
67.05503	2.0
69.07021	1.2
69.39945	0.4
70.06567	0.7
71.73227	0.6
72.08128	0.5
72.98483	0.4
73.02892	0.5
77.03906	0.4
78.52094	0.3
78.89312	0.3
79.05473	0.9
79.65400	0.4
81.03379	0.9
81.07008	1.3
85.02895	0.8
89.05902	0.4
91.05448	1.2
93.07004	0.6
95.04916	0.4
95.08598	0.9
97.02882	0.6
97.10115	0.4
100.67397	0.4
105.07016	2.2
107.08608	0.5
108.08083	0.5
109.06477	0.4
119.03520	0.7
119.08572	1.0
121.06437	0.4
121.10165	0.5
133.10185	0.5
136.06178	3.3
137.04582	0.4
145.10141	0.8
155.08511	0.4
157.10092	0.7
160.06087	0.6
164.60486	0.4
171.11589	0.7
172.06200	0.9
173.06944	2.5
174.07733	0.6
185.13191	0.8
186.07727	5.3
187.08479	2.4
198.07744	1.9
200.09239	0.6
210.07738	4.2
211.08469	1.9
212.09293	24.4
213.09897	0.9
224.09303	3.9
225.10075	1.8
226.10878	7.6
238.10835	1.5
240.12411	13.6
241.13078	0.4
241.19516	2.2
252.12428	2.0
254.14024	1.9
266.14020	1.7
268.15588	0.9
280.15536	1.5
282.17044	0.6
294.16882	0.5
296.18640	1.6
308.18658	0.5
324.18158	1.9
364.24994	6.4
374.23361	0.6
392.24429	74.4
393.24734	2.4
410.25485	100.0
411.25748	1.7
542.29681	23.7
543.29590	0.5
552.06641	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.2598
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03918	1.2
57.03408	1.3
61.02913	1.6
69.03419	1.2
70.06592	8.5
70.22328	0.9
71.75510	1.4
72.08130	3.2
73.67930	0.8
79.05474	1.6
79.76656	0.8
81.03412	1.7
84.04488	2.2
84.08138	6.3
85.02905	8.0
86.09688	6.7
91.05458	4.3
94.04164	1.7
95.04944	1.0
97.02892	1.8
97.10995	0.9
102.05564	1.0
103.05432	6.0
105.03385	7.8
105.07049	4.1
107.04935	3.1
109.02857	2.4
109.06465	0.8
110.07123	1.6
117.06972	1.1
119.04932	1.3
120.08114	2.0
121.06468	3.6
122.03615	4.9
127.03899	1.6
129.03357	1.7
129.06993	1.1
129.10205	2.5
131.04901	11.0
133.06487	18.1
135.08026	3.9
137.05965	100.0
138.06303	1.9
143.24619	0.8
145.05022	1.3
145.06454	3.3
149.05971	1.2
151.03807	1.1
151.07558	6.5
157.06483	1.5
163.07532	29.5
171.08052	2.3
174.06787	1.1
175.07529	2.1
177.01755	1.0
177.09116	1.0
179.06982	1.4
188.08215	1.3
189.01822	1.4
189.09062	3.5
190.09427	0.8
195.02852	3.4
203.03348	5.2
203.10707	5.7
207.02896	2.8
207.81668	0.9
213.05495	0.9
217.04997	2.6
219.10126	4.2
220.10466	2.5
221.04398	2.8
229.04909	1.9
235.11241	1.1
245.04419	1.0
255.02922	2.0
263.10709	1.9
267.06384	1.7
276.07849	1.4
277.08630	1.7
278.05603	1.6
279.06503	37.8
280.07349	2.3
281.08032	1.2
289.08768	1.2
291.06491	17.5
292.07132	2.6
293.08069	3.4
295.05966	1.0
295.13284	15.1
301.08676	1.0
303.06400	1.2
304.07166	1.5
305.08090	17.9
306.08652	1.3
307.05850	1.4
307.09769	1.4
309.07477	9.2
317.08041	5.5
319.06192	1.6
319.09595	7.7
321.07455	3.6
327.15857	21.5
329.08102	2.8
330.08966	1.1
331.09619	6.5
333.07574	22.1
335.09070	2.0
343.09601	1.2
345.07590	12.4
345.11441	1.6
345.16788	1.9
347.09180	3.1
349.10559	2.1
351.08813	1.3
355.09604	1.0
357.07556	4.0
359.09146	5.3
363.08630	6.7
369.07364	2.9
371.09128	1.9
373.10669	2.5
375.08627	13.1
383.09250	1.5
385.10559	2.4
387.08511	9.8
393.09616	10.4
397.10962	1.0
399.08517	3.1
401.10120	1.1
405.09662	6.0
411.10806	23.3
413.10126	1.2
417.09494	1.1
423.10641	5.4
429.09842	4.1
441.10144	2.5
447.10794	2.3
453.09238	1.0
459.10339	2.1
465.11829	11.9
471.10361	2.4
477.11722	4.2
489.11752	4.4
495.12878	12.3
507.12802	15.0
525.14020	18.5
525.21857	1.8
543.15015	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	542.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.5
55.01862	1.5
55.05495	1.7
67.05497	21.2
69.03419	2.8
69.07072	1.3
70.06575	4.9
70.64995	1.3
70.74977	3.0
70.75350	2.1
71.04972	2.3
72.08147	1.3
79.05484	2.5
81.03407	35.8
81.07039	11.3
84.04482	2.3
85.02882	2.8
91.05485	3.3
93.07030	3.4
95.04958	4.7
95.08585	10.7
99.04438	5.4
100.16096	1.3
109.02866	40.4
109.06509	2.3
109.10147	67.8
112.11209	1.8
119.08585	3.2
121.10135	2.2
125.06008	6.9
127.03957	3.3
136.06200	1.5
137.09596	100.0
145.04968	2.1
147.04375	1.6
155.10654	23.8
164.88025	1.3
165.07681	2.5
165.09096	52.9
168.06494	1.2
183.10141	11.5
201.11189	32.3
275.70233	1.6
309.13199	5.6
327.14337	47.3
328.14633	1.6
345.15411	30.1
363.16412	12.4
489.19464	1.9
507.20709	17.8
542.20410	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	541.2642
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10012	8.0
55.05484	7.7
65.40766	7.0
67.05487	12.5
69.03428	13.4
70.06581	69.8
71.57207	13.7
73.57307	7.2
79.05494	10.4
81.07044	13.0
83.04959	17.0
84.08134	24.0
85.02882	15.3
85.06540	9.0
91.05419	11.6
93.07011	16.6
105.07006	13.2
107.08578	11.6
109.10136	46.1
110.07150	13.2
119.08573	8.6
120.08167	7.9
121.10159	21.5
129.10216	11.5
131.08597	14.1
137.09596	24.8
139.11157	100.0
145.10126	15.5
151.68999	7.1
155.10670	44.6
159.11688	11.1
173.13295	16.3
182.27376	7.2
187.14795	8.6
275.20117	14.3
293.21155	66.6
426.13312	8.5
449.99908	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	542.2232
Annotation	Unknow
Peak:m/z	Relative Intensity
55.76995	0.3
64.60160	0.3
64.93555	0.3
69.35616	0.3
70.92758	0.8
70.93115	0.3
79.05476	1.3
85.02876	0.5
91.05473	1.0
93.07040	1.6
95.04964	0.3
100.24174	0.3
103.05458	7.8
107.04974	2.1
119.04943	1.5
120.08090	100.0
121.08432	0.6
131.04941	2.7
135.04355	0.5
136.06197	1.1
137.05986	0.7
147.04442	2.1
149.05974	2.0
151.07613	0.3
151.20799	0.4
158.25067	0.3
166.08623	41.9
167.07019	0.8
167.08910	0.5
179.07042	1.9
198.73189	0.3
236.72148	0.3
262.21579	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	6.1
55.01868	4.3
55.05507	44.8
55.68364	0.6
57.03428	4.4
61.02925	3.4
65.03947	0.9
67.05508	1.4
68.99792	1.9
69.03424	24.0
69.07059	0.7
69.46181	5.3
70.06593	5.6
71.05000	3.4
72.08149	1.3
73.02916	4.5
73.06561	3.2
79.05500	1.2
80.46503	0.5
81.03413	25.8
81.07038	2.9
82.03736	0.5
82.07372	0.6
83.04973	0.7
84.04485	0.5
84.08141	3.3
85.02901	39.3
86.03200	0.6
86.09681	0.8
87.00823	15.9
87.04462	0.8
91.03941	1.8
91.05460	2.8
91.07580	0.6
93.03400	0.8
93.07042	1.5
95.04965	0.8
95.08611	1.4
97.02885	15.8
98.21504	0.9
99.04447	7.1
103.03949	0.8
105.01861	10.9
105.07024	0.8
107.04943	1.0
107.08580	1.3
109.02871	24.3
109.10152	1.4
111.04434	0.6
115.03927	1.1
115.05460	0.6
117.01878	3.1
119.04967	0.6
119.08601	0.7
121.02887	3.9
121.10113	1.1
123.11707	1.0
125.09644	0.6
127.03905	37.3
128.06158	0.6
129.01814	3.3
129.06976	3.6
129.10223	0.9
131.04953	0.5
131.08575	2.9
133.10141	0.6
135.08020	0.9
136.07553	0.6
139.18015	0.6
143.04886	1.5
145.04941	11.2
147.02859	2.1
149.02330	100.0
150.02660	1.1
153.09143	0.6
157.06540	1.1
159.02890	12.3
161.05951	7.9
167.03372	1.8
167.07051	1.3
173.02324	0.7
175.07529	24.7
177.03987	0.7
181.08569	1.4
185.06009	1.5
189.03880	0.7
203.07013	79.0
204.07298	1.6
213.03912	2.4
215.03441	0.9
221.08055	7.9
231.04968	5.8
275.12808	15.9
275.15900	0.9
293.13779	2.2
293.17010	0.8
297.76624	0.6
382.99185	0.6
458.13373	0.5
497.23251	2.2
541.22058	4.6
541.29730	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	541.1124
Annotation	Unknow
Peak:m/z	Relative Intensity
56.43296	0.5
56.96557	42.6
69.45008	1.3
69.45432	5.3
70.06590	5.9
71.95253	1.2
72.08135	1.8
72.96024	2.0
74.06043	0.7
74.97607	1.7
82.44618	0.5
84.04463	1.1
84.08132	4.0
84.96032	0.5
85.02895	0.7
86.09698	3.0
86.10150	0.5
91.05446	1.6
91.81586	0.5
97.99169	17.3
98.97569	1.4
100.99144	10.5
103.05436	0.9
109.99158	3.2
110.07138	1.7
110.19029	0.5
114.75999	0.5
114.97034	1.1
116.00211	31.1
116.98569	1.5
119.00174	9.6
120.08102	4.3
128.00206	6.4
129.10213	1.4
131.04903	0.9
132.98128	3.1
134.01242	28.0
134.99623	1.7
136.07573	0.7
137.01198	1.3
142.01729	4.3
142.98885	12.6
146.01201	4.6
149.02722	2.1
150.99147	5.4
152.02318	5.2
157.02802	0.9
160.02818	10.1
160.99945	14.6
163.07555	0.9
167.03787	6.8
169.00163	1.1
172.05959	0.7
176.03802	3.0
178.03804	2.2
178.05280	1.1
179.00946	1.0
183.03168	0.7
183.06282	0.5
185.04805	2.0
191.03763	9.0
193.05350	1.3
194.04877	1.4
195.03282	0.7
196.06421	1.3
201.04259	0.9
202.05313	5.4
203.03662	0.7
207.07878	0.6
208.02657	0.7
209.04849	9.6
211.06409	2.3
218.04961	1.3
220.06435	100.0
221.04816	0.6
221.06801	1.1
222.04375	5.9
226.03838	1.0
230.92932	0.6
232.06413	0.7
238.07477	63.8
240.05415	5.3
243.08148	3.3
244.09500	1.1
246.04385	2.9
258.96704	0.6
261.09137	6.1
264.05447	10.5
279.09857	0.7
282.06470	22.9
287.07047	1.6
300.07535	1.2
305.08041	1.5
306.06418	2.6
310.58969	0.6
315.17596	0.6
365.11624	16.3
365.15363	1.6
366.09903	0.7
367.13287	1.9
369.11130	4.3
378.15256	1.4
393.10858	0.9
409.14410	5.3
411.12244	41.9
420.23849	0.7
435.12402	1.5
453.13309	51.6
454.13242	0.8
455.11304	1.2
494.15900	0.7
497.11917	0.8
541.03595	0.7
541.11023	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2436
Annotation	Unknow
Peak:m/z	Relative Intensity
55.24203	0.8
61.46779	0.8
66.04478	0.9
69.03384	1.0
70.06589	3.2
71.14127	1.8
72.08160	1.0
79.05516	0.9
83.97476	0.8
84.08133	1.5
85.02911	1.9
86.09685	1.3
91.05460	5.5
94.04169	1.1
103.05441	5.5
105.06986	1.0
107.04951	1.1
115.05444	2.7
117.07033	1.2
119.08594	6.7
122.03639	3.8
128.06197	2.0
129.06970	3.2
131.04926	14.1
132.04727	1.0
132.05670	4.7
137.05959	56.4
145.06491	0.9
146.49709	1.0
147.08000	7.3
160.05200	4.3
161.05931	1.0
163.07527	31.0
175.07535	100.0
186.06755	1.1
187.07535	2.2
189.09094	1.3
193.08618	2.8
201.09125	1.7
325.14337	8.8
343.15460	2.5
421.65530	0.9
465.04663	0.9
499.54984	0.9
519.33875	0.9
540.27356	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
54.01186	1.4
56.05021	1.2
58.36242	1.2
60.83545	1.4
67.46342	1.1
70.06588	13.9
71.75045	2.5
72.08152	2.3
72.15259	1.2
84.08131	5.1
85.02899	3.1
86.09702	6.0
87.09233	1.5
91.05488	4.3
103.05465	1.9
110.07200	1.9
115.05432	1.7
119.04935	1.6
120.08110	2.2
122.82549	1.3
127.03917	1.5
128.67717	1.5
129.06967	7.1
129.10207	2.7
131.04938	4.1
131.08569	7.3
133.06499	1.3
137.05980	26.9
141.06976	7.0
151.07547	2.4
157.06468	5.9
158.07234	3.4
159.08055	4.4
161.05956	1.6
162.54155	1.4
163.07510	3.3
164.73845	1.3
169.06485	2.1
174.06755	15.1
175.07498	5.0
179.07117	1.5
181.08632	1.9
186.06790	3.5
188.08328	1.4
189.09109	25.4
196.39810	1.2
201.09039	9.2
219.10156	100.0
248.12065	1.3
407.06104	1.3
469.21497	1.5
540.22852	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2284
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90325	0.3
53.03932	1.3
55.01863	0.4
56.05019	0.4
60.22147	0.4
65.03915	0.6
67.05513	0.8
69.03430	2.0
70.06589	3.6
70.22875	1.7
72.08142	0.9
77.41635	0.3
79.05486	5.4
81.03413	5.4
83.06103	1.8
84.04499	0.6
84.08125	1.6
85.02893	3.6
86.09700	1.4
91.05474	7.3
93.07059	0.7
95.04968	0.6
97.02883	1.2
97.06511	0.6
98.20794	0.4
98.21307	0.6
99.04461	0.7
102.06406	0.4
105.07016	5.5
106.99402	0.4
107.04945	2.5
107.08582	26.0
108.08929	0.3
109.02866	3.9
109.06519	2.5
110.07124	0.9
115.05442	5.4
117.07005	8.7
119.06071	1.3
120.05737	0.4
120.08054	0.7
125.09621	0.7
127.03894	1.1
129.10265	1.0
135.08038	100.0
136.07469	0.5
136.08386	1.0
137.05952	0.4
145.04921	1.2
153.09116	0.7
163.07524	30.2
163.33238	0.4
169.03384	0.4
181.08580	22.8
188.04507	0.4
286.26926	0.5
307.11884	2.1
325.08923	0.5
325.12793	8.0
329.07199	0.4
343.13849	38.3
344.14209	0.8
521.23053	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03410	0.6
66.71552	0.4
69.03413	1.4
70.06580	4.2
70.92250	0.5
71.13427	1.2
72.08139	1.0
81.03383	0.7
84.04491	0.7
84.08126	1.6
85.02901	4.2
86.09704	2.2
87.16867	0.4
91.05463	1.6
97.02873	0.9
103.05420	0.8
107.04915	0.8
109.60550	0.4
110.07141	0.7
115.05457	1.2
117.06982	0.6
119.04926	0.7
120.08089	1.0
127.03812	0.4
128.06224	0.8
129.07001	8.8
129.10239	0.8
131.04901	2.4
131.08560	5.9
136.07619	0.6
137.05974	4.8
141.06976	5.8
143.04865	0.8
143.08549	0.7
144.05669	1.3
145.04941	0.8
145.06476	1.2
146.07263	1.0
148.05174	0.7
149.05954	0.6
151.07574	0.7
157.06480	8.6
158.07260	2.3
159.08049	7.3
160.05194	1.7
161.05951	1.0
161.09549	0.5
161.82092	0.5
163.07558	0.9
169.06465	3.6
170.07277	1.5
171.08104	0.6
173.09523	0.5
174.06749	15.8
175.07512	3.5
186.06735	4.6
188.08376	0.9
189.09090	27.1
191.10680	2.0
201.09084	9.9
207.10162	0.9
219.10147	100.0
220.10518	1.0
262.28397	0.4
264.43558	0.5
381.15482	1.5
496.04395	0.5
540.23523	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.4151
Annotation	Unknow
Peak:m/z	Relative Intensity
54.36953	1.4
55.05497	3.4
57.07070	100.0
59.04996	14.0
59.14763	1.5
65.04152	1.5
67.05499	2.3
69.07053	1.5
69.91267	8.9
70.79384	1.4
71.08623	68.2
71.09019	3.4
73.06522	2.7
77.47422	1.7
81.03398	1.5
81.07056	2.1
83.08629	2.9
85.09669	2.7
85.10175	51.9
85.10683	3.1
87.04462	8.7
89.06020	94.4
93.02090	1.6
95.08580	3.2
95.62183	1.5
97.10173	1.8
99.11716	9.7
103.07571	6.8
107.07059	2.9
109.10133	2.8
113.13299	2.4
117.06938	1.8
119.08662	1.7
130.08589	2.9
131.07010	2.4
133.07578	3.3
133.08589	62.6
155.17960	1.9
175.09680	2.2
176.29097	1.5
177.11192	11.6
212.90578	1.6
220.74872	1.6
283.17392	2.6
304.70984	1.7
327.20264	3.4
449.55035	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.3423
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20242	1.4
53.03941	2.1
55.01859	2.8
55.05507	13.6
57.03437	1.6
57.07063	4.5
57.41590	1.5
58.30170	1.3
58.73217	1.5
61.02912	2.1
67.05495	20.9
69.03415	5.1
69.07066	25.0
70.06577	5.6
70.27287	4.4
70.27691	3.2
71.04977	5.1
72.08142	4.8
79.05481	15.5
81.03403	6.9
81.07047	100.0
82.55334	1.3
83.04977	4.9
83.08607	6.5
84.08131	2.5
85.02900	10.0
85.06532	8.7
86.09691	4.5
87.01627	1.4
91.05470	10.1
93.06445	1.7
93.07029	32.5
95.04955	3.8
95.08600	52.3
97.02872	3.1
97.06525	12.1
97.10154	15.4
99.04453	2.2
99.08101	9.0
101.76315	1.6
105.07034	12.7
107.08582	36.7
109.02872	5.6
109.06512	3.2
109.10140	32.0
111.08059	10.3
111.11694	5.7
119.08553	12.0
120.08089	1.9
121.10130	35.2
123.08080	3.6
123.11694	33.8
125.09620	5.3
127.03852	2.1
127.11214	3.2
131.08563	4.4
133.10115	6.5
134.31813	1.4
135.11678	14.9
136.07520	1.7
137.05956	3.2
137.09587	2.4
137.13242	7.5
139.11168	13.4
143.08585	2.7
145.04984	1.8
145.10091	8.1
147.04411	2.3
147.11667	6.4
149.09624	2.6
149.13239	24.0
151.11145	3.6
151.77339	1.6
157.10106	1.7
157.12218	4.7
159.11717	10.3
161.09651	1.9
161.13205	6.6
163.11157	3.9
163.14803	6.3
166.08473	1.7
167.07042	3.4
167.08533	1.4
171.11661	2.5
173.13196	2.0
174.12779	2.5
175.14798	4.2
177.12721	2.4
177.16403	4.5
181.12166	2.1
181.45341	1.4
182.05296	1.5
189.16203	2.1
191.17950	8.5
193.15857	2.9
195.17406	2.1
201.16371	10.5
203.12756	3.1
205.15828	2.6
209.18971	3.9
219.17395	23.7
223.16913	14.9
225.94006	1.7
237.16240	3.3
237.18465	31.2
241.17955	12.4
245.12823	1.7
249.18649	2.0
255.19670	2.0
255.23215	2.0
257.08063	1.7
266.27686	1.4
275.23587	1.5
285.82455	1.5
287.23633	3.6
291.19467	2.5
293.24756	4.5
305.24777	19.5
311.25754	3.2
319.17441	2.7
323.25754	29.8
329.15994	1.9
341.26700	9.1
359.27628	2.2
381.22620	4.0
399.23770	38.5
399.29102	2.2
417.24982	4.0
467.29822	2.6
539.27911	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	539.3427
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03910	2.0
55.01877	1.5
55.05505	13.1
57.03433	2.0
57.07059	3.6
61.90338	1.3
65.03935	1.6
67.05492	17.6
69.03409	2.7
69.07056	21.1
69.58876	12.6
70.06585	4.7
71.04983	4.7
72.08130	2.1
79.05486	14.2
81.03407	9.7
81.07045	100.0
82.07380	1.7
83.04976	1.6
83.08611	4.5
84.08130	2.3
85.02892	4.3
85.06529	6.1
86.09666	2.9
91.05461	8.5
93.07029	27.2
95.04943	3.9
95.08590	50.0
97.02889	2.1
97.06519	12.1
97.10149	12.2
98.21395	3.2
99.04442	2.2
99.08080	6.0
100.37334	1.4
105.07015	16.4
105.11247	1.4
107.04961	11.0
107.08579	34.6
109.02876	4.9
109.06505	3.5
109.10141	33.5
111.08061	12.5
111.11695	4.4
119.08569	12.0
121.10127	35.9
123.08056	3.0
123.11695	25.6
125.09618	6.1
127.03897	2.4
127.07599	1.4
131.08571	2.1
133.10077	6.8
134.06013	2.1
135.11687	14.0
137.05997	1.8
137.09552	2.9
137.13222	6.9
139.11145	14.2
145.10100	9.9
147.11682	5.7
149.13249	13.6
151.11258	1.6
157.12250	4.3
159.11656	10.1
161.13260	6.3
163.11198	3.3
163.14813	9.4
164.04152	1.4
167.06975	1.4
173.04472	1.3
173.13295	3.4
175.14792	2.7
177.12663	1.9
177.16382	1.9
189.12761	2.7
189.16402	2.7
191.17905	15.7
193.15819	4.2
201.16328	20.5
209.19003	6.1
219.17410	31.5
219.19511	2.3
223.16844	3.7
237.18462	39.7
255.19485	2.5
269.22537	3.2
280.97949	1.4
287.23672	4.3
293.24689	3.4
305.24704	13.2
319.17450	5.3
323.25720	5.8
329.15839	1.6
381.22675	5.7
399.23721	56.0
400.24316	2.0
417.24802	5.1
467.30029	2.4
485.31183	3.8
521.12244	1.7
539.27850	6.0
568.96497	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.3424
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	13.5
57.03447	2.1
57.07065	4.8
67.05493	16.3
69.03425	3.2
69.07054	20.8
70.06578	5.3
71.04976	4.1
71.08076	3.5
71.08514	4.4
72.08150	1.9
79.05479	13.8
81.03404	6.7
81.07046	100.0
83.04951	2.2
83.08600	4.8
84.04497	2.1
85.02896	3.5
85.06538	4.1
86.09695	3.9
91.05475	5.2
93.07037	28.7
95.04934	2.2
95.08589	50.5
97.06501	10.7
97.10159	11.7
99.04430	1.9
99.08080	9.5
105.07021	13.2
106.89626	1.6
107.08574	31.1
109.02843	2.9
109.06509	3.8
109.10149	30.8
111.08083	8.8
111.11715	4.8
115.02843	1.9
117.06955	1.9
119.08545	12.1
120.08079	4.1
121.10127	39.5
123.08082	3.1
123.11698	24.4
125.09630	5.3
127.11237	1.8
129.10147	2.0
131.04916	2.3
131.08496	3.1
133.10133	6.2
135.11696	13.1
137.06021	2.7
137.09569	3.1
137.13295	4.3
139.11125	8.6
145.10107	9.7
147.11667	4.7
149.13235	12.3
151.11113	2.6
157.12193	2.3
159.11708	12.6
161.13223	7.8
163.11121	3.3
163.14838	6.2
167.07030	4.2
173.13266	2.8
175.14871	3.3
177.16257	2.4
189.16351	1.7
191.14265	2.0
191.17914	15.6
192.28055	1.7
193.15944	2.1
201.16338	16.6
209.19000	7.3
217.12186	1.6
219.17426	40.6
221.19084	1.8
237.18460	40.7
241.09972	1.8
277.15506	1.7
287.23590	2.3
293.24860	1.8
305.24725	11.2
319.17441	3.4
329.15878	3.0
352.38858	1.9
352.42935	1.7
381.22635	4.7
399.23740	60.5
417.24887	7.9
455.29828	2.3
467.29956	3.4
485.11218	1.9
485.31720	2.4
539.28394	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	539.3186
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89725	0.7
55.01852	0.8
57.07057	3.5
58.38308	0.7
59.04989	3.2
64.60459	0.7
67.05490	0.9
69.03425	1.2
69.07059	0.9
71.08646	0.8
71.36963	1.7
73.02918	1.7
81.03414	1.2
81.07063	1.7
85.10185	1.3
89.06042	1.4
95.08601	1.0
97.10123	1.0
98.69265	0.9
99.04446	0.9
109.02856	2.3
109.10060	0.7
111.04423	1.4
117.09134	0.7
121.82725	0.7
127.03873	0.8
128.50363	0.7
133.08551	0.7
139.78252	0.8
140.53047	0.7
191.00075	1.2
227.20116	2.9
239.23766	2.2
252.41953	0.7
283.57892	0.8
313.27304	1.6
331.57553	0.7
441.51413	0.8
539.31885	100.0
540.32251	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.3425
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39720	2.4
53.03947	4.7
55.01875	3.0
55.05509	21.9
57.03454	2.5
57.07085	4.2
67.05502	21.5
67.83025	2.4
69.03402	3.2
69.07057	28.1
70.06596	5.5
70.71094	5.0
79.05485	17.8
81.03420	11.2
81.07051	100.0
83.04974	7.7
83.08640	11.0
85.02910	2.4
85.06098	2.7
85.06528	14.1
86.09717	3.3
91.05457	11.9
93.07039	48.7
95.04972	6.2
95.08599	55.8
96.08147	3.6
97.06535	14.8
97.10172	18.3
99.04472	3.4
99.08092	9.6
105.07015	24.1
107.08587	67.2
109.02854	11.8
109.06528	3.2
109.10143	38.4
110.09703	4.0
111.08080	8.0
111.11701	6.6
112.58781	2.2
119.08562	20.8
120.08127	3.2
121.10133	41.3
123.08078	4.7
123.11707	48.4
125.09635	8.3
127.03910	2.7
127.12381	2.3
131.08530	4.3
133.06387	2.7
133.10141	17.2
135.11682	16.9
137.06003	2.6
137.13252	8.0
138.09126	5.5
139.11176	12.8
145.10139	6.9
147.11674	18.8
149.13248	39.5
151.11186	3.1
153.12660	2.8
157.10165	3.1
157.12238	6.9
159.11694	6.8
161.13277	10.1
163.14848	6.3
165.12794	5.2
166.08632	6.4
167.09096	3.1
167.65485	2.2
173.04391	2.6
173.13295	3.0
175.14857	4.9
177.16348	25.7
179.14389	2.8
187.13330	4.3
187.14845	9.5
189.16374	6.4
191.14296	2.9
193.15958	2.9
195.17505	5.7
203.12791	3.0
205.15868	16.0
207.17488	3.0
223.16902	34.8
237.18507	3.3
241.17986	5.9
249.18396	3.7
269.22797	4.4
275.23712	9.1
287.23700	10.8
293.24847	4.9
305.24716	29.1
323.25940	12.2
329.15936	5.2
331.17688	4.4
341.11237	4.0
342.11502	4.1
367.21201	8.1
385.22162	39.7
399.23721	3.8
403.23352	4.2
455.30215	8.1
467.30124	14.7
473.31061	6.2
485.31287	18.5
539.28497	2.8
543.06122	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2879
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90890	3.0
52.00513	2.9
53.03933	9.8
55.01860	15.8
55.05492	10.7
57.03436	21.6
57.07071	78.9
58.57869	2.9
61.02917	8.9
63.16789	3.5
64.50275	3.2
67.05496	24.2
69.03424	57.9
69.07075	20.6
69.57724	29.5
71.04987	5.1
71.08619	61.6
71.93739	3.2
73.02911	52.2
75.04472	4.4
79.05467	3.7
80.46550	3.5
81.03418	42.8
81.07044	37.7
81.26699	3.0
83.04989	5.6
83.08608	29.7
85.02896	39.7
85.10177	37.8
89.06023	5.4
95.08594	63.2
97.02868	22.1
97.10170	19.0
99.04440	24.1
99.11744	3.5
103.03975	4.5
109.02863	74.3
109.10145	29.5
110.03660	12.1
111.04431	72.5
111.11736	3.6
112.80645	3.4
123.11699	20.9
125.13306	6.2
127.03906	39.1
132.99548	30.5
136.97127	3.0
137.13249	11.0
139.14856	4.0
144.88869	3.0
151.00612	11.4
155.00136	3.6
157.89766	4.3
167.00027	4.3
172.99069	6.9
191.00073	34.4
209.01060	15.9
221.22588	5.6
239.23671	100.0
257.24811	6.8
267.22278	3.3
313.27338	67.4
355.28052	3.9
356.66370	3.2
446.93918	4.1
490.15707	3.3
539.28790	67.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2485
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.3
55.01872	2.9
55.05498	6.1
60.68224	1.5
61.02888	1.7
64.49300	1.4
67.05495	10.5
69.03426	9.6
69.07056	6.2
70.06584	5.9
70.36720	1.4
70.37045	7.0
71.04977	2.7
72.08139	1.7
77.49455	1.5
79.05487	6.8
81.03422	4.2
81.07047	18.0
83.04970	10.7
83.08607	3.5
84.08102	1.9
85.02904	5.6
85.06551	7.7
86.09711	3.4
87.00852	1.5
91.05453	12.2
93.07034	15.2
95.04949	7.5
95.08596	11.7
97.02892	3.8
97.06532	3.5
99.08056	1.9
105.07025	17.6
107.04933	2.2
107.08596	10.3
109.02876	2.8
109.06501	7.5
109.10144	10.8
111.08058	4.9
117.07034	3.7
119.08570	14.3
121.06506	3.8
121.10135	10.9
123.08057	3.3
123.11717	3.6
125.05933	2.3
125.09637	3.1
127.03849	3.3
128.06226	1.8
129.06999	2.7
131.04921	2.5
131.08553	12.4
133.06490	2.1
133.10110	8.9
135.08040	9.3
135.11702	3.9
136.07491	1.6
137.06015	4.2
137.09598	16.5
139.11147	2.1
142.07820	1.5
143.08546	5.7
145.05060	1.7
145.06473	2.2
145.10138	9.1
147.08047	8.2
147.11681	10.8
149.09621	2.5
149.13280	1.9
151.07573	3.2
157.10152	6.3
159.08041	10.2
159.11653	5.0
161.09653	5.9
161.13254	3.5
163.11192	8.7
169.10280	2.1
171.11679	7.0
173.09677	1.9
173.13213	9.4
175.11147	8.7
185.09598	2.3
185.13226	2.0
187.14880	3.2
189.09062	3.2
189.12692	8.4
191.10567	1.6
197.11023	1.6
197.13187	2.2
199.11188	4.8
211.14835	2.3
213.16406	4.6
215.14319	6.2
217.12379	1.7
231.17442	5.2
237.18509	2.6
255.17531	4.2
273.18469	100.0
291.19516	17.2
539.27789	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	539.286
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46826	0.5
55.05508	6.7
56.05024	0.9
57.05811	0.8
58.06596	0.5
61.18985	0.5
62.25659	0.5
69.03428	0.5
69.07064	14.5
69.82225	1.7
69.82660	1.5
70.06585	1.1
72.08149	36.2
74.02450	0.6
80.05004	0.4
83.04984	0.9
84.08108	0.9
86.09700	100.0
88.93744	0.5
91.05470	11.7
95.04982	0.9
99.09210	3.9
103.05468	2.6
105.03373	0.9
105.07023	0.9
106.06557	1.9
107.04908	0.6
111.09185	0.4
114.09170	0.5
115.05495	0.5
116.04927	2.8
118.06529	19.5
119.04951	2.1
119.07306	3.7
120.08096	15.2
121.06567	0.5
123.04467	1.2
127.08669	6.8
129.07010	2.8
129.07861	0.5
130.06520	4.8
131.04919	0.6
131.07339	1.3
131.08479	0.7
132.08099	1.1
136.07565	10.7
136.90884	0.5
141.10173	0.6
142.07811	0.9
144.08064	0.8
146.05991	17.7
147.04407	1.1
157.08951	0.6
157.10172	1.8
158.09666	1.0
160.11212	0.7
162.05507	2.6
164.07059	6.7
165.05467	3.2
167.08559	0.7
169.10150	0.8
172.11224	4.6
174.05659	0.7
174.12776	41.3
175.08688	0.5
175.13171	0.5
179.08649	1.0
182.08121	6.5
182.09692	0.6
186.09065	2.6
186.12761	0.7
188.14432	1.5
189.65855	0.4
191.08348	0.6
193.10278	0.5
195.08165	0.5
200.10725	4.2
201.13939	0.7
204.13838	7.5
208.06059	0.7
209.09669	0.9
215.15474	0.9
217.13387	1.2
218.14124	6.5
219.08247	0.7
219.14938	8.0
221.09833	0.6
223.07620	1.6
224.10739	0.6
228.10188	6.9
231.14940	4.4
232.13300	4.3
236.10741	3.1
242.11824	0.5
243.14905	2.7
245.12848	17.3
245.15352	0.8
247.14406	1.0
259.14383	8.7
259.16870	0.6
265.08737	1.3
270.11221	5.0
275.13901	4.7
275.83984	0.5
282.11282	2.7
285.19528	1.0
287.13907	0.9
295.16522	6.6
305.14813	0.6
306.74435	0.5
309.12320	0.6
311.13864	1.0
313.19006	1.2
321.14334	3.9
327.13458	0.9
330.21915	1.3
355.12778	1.0
358.21191	4.9
363.17194	0.7
383.19672	6.2
395.19766	1.6
408.18881	1.0
409.17572	2.4
424.22333	1.9
440.21878	4.5
468.21310	45.5
469.21573	0.8
511.28851	2.3
521.27637	1.9
522.26007	13.8
523.26471	0.6
539.28534	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	539.2272
Annotation	Unknow
Peak:m/z	Relative Intensity
57.42236	0.6
65.05631	0.7
66.04697	0.7
69.03404	0.6
70.06592	1.0
70.13630	2.4
70.14037	1.1
79.05476	0.6
86.09673	0.8
87.60349	0.6
91.05451	2.1
94.04183	3.4
97.87274	0.6
103.05463	1.3
107.04962	0.8
109.06471	0.9
117.06973	0.9
122.03638	7.3
128.06245	0.6
131.04929	1.3
137.05963	100.0
138.06349	1.0
149.05902	0.8
151.03862	1.3
151.07542	2.9
161.05913	0.8
163.07518	2.8
175.07533	1.2
213.09140	2.0
222.06740	0.6
247.09659	0.8
257.09668	0.9
259.09662	2.8
261.11191	0.9
265.08463	0.9
277.08542	0.8
283.09671	1.8
289.12057	0.8
291.10248	1.0
297.11414	1.0
305.11374	0.7
309.11044	0.8
317.11893	2.1
321.11234	1.3
323.12521	0.8
329.11896	1.0
337.14200	0.9
347.12625	0.7
349.14401	1.4
353.13742	1.4
355.15466	0.7
361.14606	0.8
367.15372	6.9
379.15216	2.4
397.16586	3.7
473.20190	0.7
503.20648	1.7
521.21429	2.1
539.27661	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.3948
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05493	14.5
57.03423	7.1
57.07073	100.0
57.23413	4.1
58.84583	3.5
61.02910	5.8
67.05499	30.8
69.03419	13.3
69.07064	23.8
70.04662	12.0
70.05076	12.5
71.08624	85.7
74.55734	4.2
81.03400	9.2
81.07047	46.9
83.08625	26.4
85.02910	30.2
85.10178	47.3
88.20197	3.7
95.08597	68.4
97.02885	17.0
97.10163	28.0
104.10698	5.5
109.02889	9.0
109.10147	29.3
111.11711	9.1
119.55415	3.9
123.11687	14.6
127.03888	18.9
137.13228	7.2
145.04970	19.2
170.21570	4.0
184.07336	5.6
246.27930	4.1
249.25592	6.1
267.26831	87.3
285.27762	6.6
294.18265	4.2
321.22113	4.3
341.30447	87.7
359.31345	6.5
377.91791	4.0
411.31079	41.6
429.32047	67.2
449.16440	4.2
469.19226	3.9
484.13397	3.9
538.51416	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	539.2273
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	1.6
59.30990	1.6
61.34951	1.4
70.06565	4.0
70.40540	3.1
71.08619	2.7
76.20783	1.5
81.07037	4.1
83.08581	1.7
84.08117	2.1
86.09659	1.7
88.11268	1.8
91.05466	3.6
93.88257	1.5
94.04170	3.6
95.08603	2.2
98.09691	3.2
99.08042	2.5
100.11234	5.6
103.05445	7.0
111.04454	2.3
116.10664	1.6
120.08118	1.5
122.03630	8.0
123.04401	1.8
129.06987	1.7
131.04910	10.1
137.05971	100.0
138.06302	7.0
151.03888	4.1
151.07495	5.4
157.06491	2.2
161.05978	3.3
163.07544	18.2
170.15463	8.4
175.07513	7.0
175.68217	1.7
177.05423	3.0
182.15434	3.1
187.07541	3.6
187.76060	1.8
189.08980	2.7
194.07344	1.7
195.07988	1.8
198.14851	8.6
209.16399	1.7
210.14822	3.1
212.08437	1.9
213.09052	2.5
224.08385	2.7
225.05385	1.8
225.09213	1.6
237.09108	3.2
239.06979	2.2
240.07771	9.2
249.05568	2.0
255.10155	12.9
264.07840	9.1
265.08459	3.8
270.08878	4.3
277.08456	1.5
280.07321	3.4
283.09647	33.6
291.09943	2.0
295.09656	18.5
297.25467	1.8
299.12775	1.7
313.10605	3.4
321.11224	2.1
323.12540	1.9
335.12750	2.6
353.13950	4.4
367.15295	2.2
371.14929	11.1
424.31586	6.8
432.15738	14.8
433.16385	3.5
450.16919	9.5
473.19037	2.1
485.19452	7.0
503.20703	8.7
539.20642	4.2
539.41205	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	538.3385
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	1.3
59.48750	0.4
60.75337	0.4
65.03926	2.4
67.05486	1.2
69.07030	0.6
70.06580	0.5
70.86374	1.1
71.08609	0.7
76.80146	0.4
79.05485	1.0
79.45031	0.4
81.07040	1.5
83.08620	0.9
86.09719	0.6
91.05468	100.0
92.05795	0.7
93.07017	0.9
95.08600	1.0
99.08087	0.4
104.10719	0.8
105.07042	0.6
107.08588	0.6
109.10125	0.9
114.10365	0.4
119.08571	0.7
121.10115	0.4
136.06180	1.4
147.11710	0.5
148.06165	3.4
184.07112	0.4
226.10847	42.2
246.48386	0.4
252.65192	0.4
267.73740	0.5
293.21204	0.9
301.06049	0.6
414.05991	0.4
520.33105	0.6
538.33832	58.2
539.34076	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21027	0.9
56.05013	1.2
57.03429	1.2
60.04515	0.8
61.02903	2.0
65.03960	0.9
69.03407	4.0
70.06593	6.8
72.08142	1.7
79.05461	1.2
81.03390	1.8
81.07044	1.3
84.08121	2.1
85.02894	11.7
86.09683	3.0
87.04502	1.3
91.05459	6.1
94.04175	2.6
95.62190	0.8
96.23326	1.0
97.02888	4.3
103.05457	10.5
104.05777	1.0
105.07001	4.2
107.04919	1.4
109.02830	1.5
109.06497	2.5
115.05445	2.5
117.07001	2.5
119.04977	2.1
119.08559	3.9
120.08095	2.3
122.03628	7.3
127.03896	2.7
128.06175	1.4
129.06989	2.8
129.10237	1.1
131.04918	20.2
132.05678	2.9
133.06479	4.0
137.05966	100.0
138.06306	3.4
145.05014	1.0
145.06467	1.1
147.04468	2.4
147.08047	5.2
148.51108	1.0
149.05963	2.7
151.03973	1.6
157.06421	1.4
159.08063	2.9
160.05167	2.1
161.05989	11.7
162.06573	2.2
163.07520	20.6
164.07878	1.3
166.08665	1.2
167.05717	1.1
167.07069	1.6
172.03891	1.0
175.07530	57.7
177.09004	1.0
179.07040	1.1
187.07526	8.3
189.09048	1.1
190.07874	1.1
191.08565	4.6
193.08571	2.1
199.07544	8.0
201.09099	1.7
202.07875	1.0
203.08572	2.2
209.29295	1.0
217.08539	1.7
218.07248	1.5
219.08011	7.4
220.08743	2.6
231.08012	4.6
236.08286	1.8
247.07507	4.0
248.08226	2.9
251.10663	11.9
259.07510	3.5
260.08289	2.3
261.08942	1.1
263.10678	3.1
264.07852	1.3
276.07843	1.2
277.08533	2.3
279.10126	9.2
280.10617	1.0
291.10162	7.2
292.10870	2.4
295.13290	1.0
296.10336	1.4
297.11157	1.1
297.81421	0.8
309.11057	1.1
311.12756	31.6
312.13068	1.1
323.12778	16.6
325.14236	3.5
325.62061	1.0
339.12039	0.9
341.13818	2.8
506.19333	1.5
514.17126	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05489	2.6
56.05030	4.1
57.03421	2.2
59.09180	1.8
59.48348	2.1
61.01138	5.1
61.02918	2.9
67.05509	3.9
67.75596	1.8
69.03410	7.9
69.07054	4.1
69.86931	10.5
69.87340	4.4
70.06564	5.5
72.08144	3.4
73.02911	2.3
73.35099	1.8
79.05495	4.3
79.42393	1.8
81.07035	10.9
84.04508	3.9
84.08134	3.5
85.02895	15.6
86.09705	7.0
91.05471	7.9
93.07035	9.0
94.04128	1.9
94.06573	3.0
95.04907	2.7
95.08595	7.1
96.08138	4.2
97.02894	5.6
97.06515	2.7
98.21436	3.1
103.05463	11.5
104.05300	19.6
105.07034	7.7
107.04935	2.1
107.08582	6.3
109.02885	3.5
109.10154	3.1
110.09658	4.9
116.07051	1.9
117.07007	3.5
119.04916	3.5
119.08579	6.8
120.08100	6.4
121.10160	4.4
122.03635	6.1
123.11684	3.2
125.09630	2.2
127.03955	2.2
129.01501	2.1
129.07010	5.0
131.04898	18.9
131.08533	2.4
132.05652	1.9
133.06509	3.4
133.10118	3.6
136.07564	2.9
137.05968	100.0
138.06320	4.4
138.09138	7.3
147.08046	7.0
149.07414	6.4
149.13235	3.1
159.08032	2.6
160.05209	4.7
161.05986	11.4
163.07541	25.5
166.08638	12.5
172.03926	4.4
175.07532	74.0
187.07535	9.5
191.08588	4.1
193.08565	6.9
199.07559	6.6
203.08525	3.6
217.08496	2.2
219.08035	6.1
220.09332	3.3
231.08072	4.6
237.10400	2.3
247.07518	6.0
248.08362	2.8
251.10695	8.7
259.07620	4.8
260.10724	11.0
263.10657	3.1
265.09662	2.5
279.10223	7.6
279.61441	2.6
287.10193	5.1
291.10193	7.3
293.08978	3.3
295.05750	2.8
307.05978	2.7
311.10129	1.9
311.12881	20.5
323.12787	12.5
325.14221	6.2
341.11221	3.8
353.11307	4.2
418.09076	5.0
436.10294	5.6
488.17676	3.6
506.19284	20.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.2278
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	0.9
67.05489	0.8
69.03418	1.0
69.93121	2.9
69.93542	2.5
70.06582	0.9
79.05511	1.4
85.02889	2.9
86.09703	1.0
91.05484	3.1
92.69127	0.9
93.07031	1.8
103.05446	2.0
105.07030	6.4
107.04914	1.2
109.06482	1.6
115.05466	1.7
117.07002	2.6
119.04855	1.0
119.08611	1.8
121.06525	2.0
122.03639	4.2
128.06195	2.0
129.06911	1.9
131.04903	2.3
132.05676	1.4
133.06516	4.6
137.05962	100.0
145.06479	2.7
147.04424	2.4
147.08046	2.3
149.05980	5.6
156.05754	1.1
159.08109	1.7
160.05133	2.1
161.05963	15.4
162.06712	2.2
163.07593	0.9
175.07520	22.8
175.08914	1.5
179.07175	1.5
187.07532	5.7
191.08560	4.8
193.08597	6.2
199.07474	2.8
203.08441	2.1
205.08621	3.8
217.08591	1.3
218.07208	1.3
219.08096	6.2
221.05759	0.9
231.08121	2.0
236.08264	1.1
247.07561	3.0
248.08313	1.6
251.10689	10.9
253.08607	1.2
259.07587	2.2
263.10788	2.0
264.07855	1.5
265.08563	0.9
269.11713	1.0
277.08594	1.2
279.10190	9.1
291.10132	4.5
296.10550	1.0
297.11224	0.8
308.10779	0.8
311.12738	24.4
323.12759	8.3
329.13901	4.2
341.13696	6.5
538.30090	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.3268
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	3.6
55.01854	3.5
55.05506	26.0
57.03418	3.5
57.07069	5.0
61.02931	3.8
67.05500	26.8
69.03417	10.6
69.07059	23.5
70.06579	8.2
70.13265	14.5
70.13680	5.0
71.04988	9.1
72.08140	8.9
79.05482	24.2
81.03415	9.0
81.07045	100.0
83.04977	12.2
83.08609	10.3
84.08138	3.9
84.98328	2.5
85.02901	18.1
85.06539	6.8
86.09701	4.6
91.05442	18.9
93.07034	42.7
95.04958	13.8
95.08593	68.1
97.02876	7.9
97.06532	14.3
97.10159	24.9
98.20662	2.7
99.08094	6.5
103.41018	2.8
105.07020	42.0
107.08588	46.1
107.09258	5.0
109.02859	3.8
109.06522	13.8
109.10143	40.3
111.04375	3.0
111.08067	9.1
111.11687	5.4
114.10281	10.6
117.06995	8.1
117.37447	2.5
119.08558	36.4
121.06542	3.2
121.10133	51.4
121.10970	4.1
123.08070	8.6
123.11687	30.7
125.09622	11.1
127.03911	4.7
127.07507	5.4
129.07024	2.7
131.08572	11.4
133.10117	24.8
135.08026	6.0
135.11694	23.7
137.05984	11.8
137.09583	7.4
137.13208	5.2
139.11163	11.7
143.10646	5.6
145.06461	4.6
145.10110	20.6
147.11674	32.6
149.09590	4.0
149.13249	10.4
151.11140	5.0
153.12759	3.5
157.10089	6.7
157.12262	4.8
159.11711	21.9
161.05957	3.8
161.13272	14.9
163.11208	8.5
163.14804	6.9
165.12807	7.8
167.05492	3.2
167.07001	4.7
169.10074	2.8
169.12186	6.0
173.13266	5.4
174.12790	3.0
175.14810	8.7
177.12697	4.0
177.16374	7.2
185.13313	4.3
187.13290	6.3
187.14841	8.8
193.15912	4.3
201.16510	4.2
203.12718	3.8
205.15779	7.0
221.15414	4.4
223.16875	22.1
223.18845	3.6
237.18332	3.5
241.18016	7.6
247.17056	3.4
253.11946	3.0
257.22717	4.0
267.21045	3.8
271.16769	3.2
275.23764	5.9
277.21677	4.1
285.22168	7.0
291.23218	9.8
293.24854	4.1
303.23172	61.7
303.26620	3.2
309.24170	6.2
321.24231	64.0
326.15375	2.9
327.25232	5.9
339.25311	45.7
493.33826	13.0
537.32471	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	537.3269
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	4.6
55.01855	6.2
55.05505	26.6
57.03407	4.0
57.07060	3.3
65.03915	2.9
67.05499	26.9
69.03422	15.2
69.07062	36.4
69.71199	26.4
70.06578	13.5
71.05006	7.7
71.42058	2.6
72.08163	15.8
72.19116	3.2
73.02866	3.2
79.05479	31.3
81.03403	9.2
81.07047	100.0
83.04964	11.1
83.08603	9.7
84.08087	5.1
85.02907	18.1
85.06541	7.7
86.09677	3.5
91.03922	3.1
91.05457	28.5
93.07034	60.8
95.04962	21.4
95.08593	77.2
97.02873	9.6
97.06502	14.8
97.07624	4.6
97.10168	18.5
99.04449	5.0
99.08073	6.7
103.05436	4.7
105.07014	56.3
107.08582	53.9
109.02888	4.4
109.06468	15.1
109.10143	44.8
110.09640	4.5
111.08057	7.6
111.11685	4.6
114.10289	25.3
117.07001	8.7
119.08575	48.4
121.06489	7.2
121.10139	49.3
123.08028	9.2
123.11691	25.8
125.09620	12.6
127.03941	4.5
129.06973	4.8
131.04904	10.0
131.08537	16.2
133.10109	34.6
135.08029	6.1
135.11688	35.3
137.05957	20.3
137.09581	10.9
137.13141	3.2
139.11169	8.4
141.09160	4.6
143.10664	3.3
145.10147	22.3
147.04390	4.4
147.08028	3.3
147.11670	47.5
149.09558	8.4
149.13232	23.5
151.04015	3.8
151.11145	7.4
155.03244	3.1
155.08546	3.5
155.10710	5.4
157.10106	4.1
159.11685	23.7
161.05952	5.3
161.13202	21.7
163.07584	4.9
163.11139	8.7
163.14758	8.4
165.12717	11.1
167.07031	5.2
169.10100	4.0
169.12224	3.2
171.11575	3.8
173.13242	10.6
175.11272	4.1
175.14812	12.7
177.12737	6.9
187.14833	19.0
189.16316	4.6
191.14261	9.4
193.15927	6.0
195.13756	4.9
199.07561	4.0
199.14941	3.4
205.15814	10.4
209.13469	6.1
209.15222	19.7
211.12878	3.2
221.15453	3.6
223.16951	13.6
227.16313	5.3
235.16975	7.0
236.17290	8.3
237.18558	4.5
254.18262	3.4
257.22577	3.6
266.21048	3.6
267.20978	8.7
273.22314	4.1
275.23666	7.5
285.22214	16.0
291.23145	14.1
303.23175	66.1
309.24139	4.0
321.24182	37.7
339.25418	18.3
357.26193	5.0
506.19067	7.6
522.99200	3.6
537.32727	7.2
537.40259	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	537.3269
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	7.9
55.01863	5.1
55.05517	22.0
55.39136	4.2
57.03420	9.3
61.02927	6.9
67.05504	35.5
69.03419	18.4
69.07062	29.6
70.00103	22.3
70.06590	26.3
71.04972	15.9
72.08140	11.4
79.05479	26.8
81.03403	15.4
81.07048	100.0
83.04973	17.5
83.08612	10.9
84.08141	6.4
85.02908	22.7
85.06525	14.5
86.09693	12.5
91.03923	5.5
91.05452	27.0
93.07042	58.3
95.04959	31.8
95.08598	65.3
97.02858	5.4
97.06518	14.9
97.10159	18.7
99.04456	7.4
103.05445	13.1
105.07018	54.0
107.04934	5.0
107.08565	51.4
109.02886	9.1
109.06479	11.9
109.10149	39.2
111.04416	4.2
111.08096	11.0
111.11665	5.0
113.05968	6.1
114.05510	5.8
114.10275	8.4
117.06969	5.6
119.08569	45.8
121.06511	9.5
121.10132	46.2
122.03660	4.2
123.08042	11.0
123.11694	29.4
125.09649	8.9
127.03895	13.4
127.07541	5.2
127.11186	6.3
131.04930	25.9
131.08554	8.2
133.10130	22.3
135.08041	5.2
135.11681	25.8
136.07611	4.2
137.05965	44.7
137.09589	13.7
139.11150	13.7
144.01115	6.0
145.10080	20.6
147.04366	5.6
147.11656	42.2
149.09618	12.2
149.13243	16.1
151.07530	5.1
151.11151	12.4
155.10657	7.4
157.10120	6.5
157.12167	6.1
159.11693	20.0
161.05959	13.1
161.13202	19.6
163.07535	13.5
163.11172	10.8
165.09204	4.9
165.12776	9.7
167.07031	13.6
169.10083	4.2
173.13274	9.9
175.07515	6.5
175.14795	9.5
177.12781	4.6
177.16309	8.2
187.07549	11.6
187.13280	8.4
187.14847	11.8
191.14333	5.0
193.15814	6.4
195.06554	5.4
200.26717	4.0
204.96880	3.9
205.15933	5.1
209.18956	4.9
219.17433	5.0
223.16953	14.6
235.16934	13.1
236.17339	12.4
237.18488	5.4
241.17744	4.7
253.17961	7.5
254.18173	7.6
275.23541	10.7
285.22253	6.6
291.23093	8.5
299.05548	13.8
300.05878	4.0
303.23227	46.7
321.24191	47.4
327.12201	5.8
329.06235	6.0
339.25195	20.6
395.12567	4.7
483.29459	8.5
493.33862	8.3
537.13708	29.0
537.26514	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	537.327
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65806	2.9
53.03950	3.3
55.05511	27.9
56.05059	2.7
57.03419	5.1
57.07061	5.6
57.82880	2.6
67.05492	32.3
69.03419	6.4
69.07057	29.3
69.40381	25.2
69.40804	8.6
70.06586	11.3
71.04984	7.3
72.08144	7.6
79.05489	21.1
81.03409	12.1
81.07050	100.0
83.04969	8.3
83.08628	8.9
85.02892	4.0
85.06534	5.6
86.09690	7.7
87.82241	3.0
89.07181	2.8
91.05463	21.5
93.07037	51.8
93.69804	2.7
95.04959	19.0
95.08599	65.7
97.06532	15.5
97.10171	20.6
99.04462	5.2
99.08041	4.4
103.05460	7.3
103.46101	2.6
105.04447	2.9
105.07021	51.7
107.08582	50.7
109.02886	8.3
109.06498	17.3
109.10150	39.3
111.08070	10.4
111.11703	7.8
113.06002	3.0
114.10261	4.3
117.07011	6.7
119.08566	48.0
120.08096	4.8
121.06516	5.8
121.10129	69.7
123.08038	6.7
123.11681	27.2
125.09619	14.0
127.03993	4.0
131.04901	8.3
131.08522	16.4
133.10112	24.8
135.08075	4.1
135.11664	24.9
137.05965	17.1
137.09618	11.9
137.13249	9.2
139.11115	13.7
145.10136	24.0
147.11670	38.6
149.09592	5.5
149.13232	15.6
151.07541	2.9
151.11217	8.2
153.12717	4.9
157.10135	4.8
157.12236	8.5
159.10294	4.7
159.11636	26.2
161.13254	12.2
163.07558	5.9
163.11180	9.5
163.14767	6.1
165.12709	7.1
167.07079	6.2
169.12254	3.7
171.11732	3.9
173.13255	7.5
175.11203	3.3
175.14847	19.1
177.12785	5.3
177.16399	12.0
187.13322	3.6
187.14769	14.3
189.16460	3.3
191.14363	6.9
193.15790	5.1
195.17445	4.2
201.16396	3.9
205.15892	8.8
219.17624	3.2
223.16910	7.1
243.17618	3.0
257.22729	3.7
261.22284	3.4
267.21194	3.5
271.14371	3.5
273.22357	3.3
275.23563	7.8
285.22107	17.2
291.23190	4.7
295.31494	2.7
303.23172	48.7
309.24234	4.0
321.24182	37.8
339.25357	3.3
414.71057	3.2
453.28467	4.7
465.28348	10.5
471.29324	6.3
483.29633	6.4
501.30637	5.1
537.27283	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.303
Annotation	Lys Phe Asp Lys
Peak:m/z	Relative Intensity
52.13388	0.4
59.53348	0.3
71.00603	1.0
83.59080	0.3
86.20894	0.3
90.28329	0.4
91.05782	0.7
95.43525	0.3
96.62474	0.3
98.97579	0.4
104.10730	1.2
167.05600	0.6
183.09148	0.4
184.07352	1.0
282.85953	0.4
299.06174	0.7
300.06100	0.5
301.20129	0.4
400.84738	0.4
432.81235	0.4
537.30286	100.0
538.30627	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2118
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	0.6
53.03930	0.8
55.01862	1.1
55.05512	0.3
65.03935	0.6
70.06585	0.7
70.11275	1.6
73.02923	0.6
76.34609	0.3
77.03901	0.5
79.05480	1.3
81.03406	1.1
81.07040	0.4
83.04962	0.6
85.02902	0.3
86.09699	0.3
91.05436	2.1
94.04176	0.4
94.09128	0.3
94.09693	0.3
95.04984	1.5
95.94575	0.3
98.20760	0.3
103.05457	47.2
105.07036	3.4
107.04930	0.7
109.02859	1.3
111.04424	2.1
115.05450	1.0
115.08724	0.3
117.07027	0.4
118.04178	0.4
119.04919	1.3
121.06480	0.7
122.03659	1.2
123.04373	0.3
125.05975	1.5
126.03132	0.3
127.03957	0.4
128.06197	0.4
131.04918	100.0
132.05276	0.9
133.06505	2.7
137.05966	17.3
139.03920	0.7
141.05457	2.7
143.06047	0.3
143.08635	0.3
145.06450	0.4
147.04402	1.7
149.06001	0.7
151.03900	1.0
151.07524	0.8
153.05437	1.5
155.08418	0.4
157.06410	0.3
159.08080	0.5
160.05196	0.5
161.05968	9.4
162.06734	1.0
163.07527	27.3
164.07919	0.4
165.05455	0.4
165.06949	0.8
167.05707	0.3
167.07037	1.1
167.08505	0.3
169.06415	0.5
174.06685	0.4
175.07542	1.7
177.05481	0.8
179.07062	1.8
181.04941	0.8
181.06465	0.6
187.07553	2.7
189.09059	0.5
191.07011	0.7
193.06517	0.4
195.06464	2.1
195.07803	0.3
197.05891	0.3
199.07538	0.8
201.09073	0.4
203.06975	0.6
205.08540	0.6
209.08055	1.8
210.06630	0.6
211.07608	0.6
213.05585	0.3
213.09021	0.4
217.08582	0.5
219.08092	0.5
221.05893	0.9
222.06665	0.3
225.09099	0.8
227.07066	0.5
237.09033	0.7
238.06265	0.3
241.08533	0.4
247.07471	0.5
249.09232	0.3
251.10394	0.4
253.08601	1.0
255.10164	0.4
264.07678	0.3
265.08624	0.6
269.07986	0.4
277.08487	0.4
279.10159	0.5
283.09589	0.5
285.11136	1.2
289.08658	0.5
295.09598	0.4
297.11209	0.7
299.06158	0.5
300.06177	0.5
303.12198	0.4
307.09763	0.5
309.10901	0.3
311.09277	0.4
311.12665	0.5
313.10516	0.4
315.12332	0.6
321.11276	0.4
323.12280	0.5
325.10623	0.5
335.13049	0.5
339.12347	0.5
365.13824	0.6
375.14716	0.5
403.27151	0.3
448.15536	0.6
501.18961	0.4
508.06680	0.3
519.19543	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2114
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18857	0.9
50.54541	1.0
53.03937	1.2
55.01859	2.0
61.65842	1.2
70.06588	1.9
71.04504	3.1
79.05473	3.2
81.07051	1.7
91.05455	9.2
94.04179	4.5
95.04951	3.2
103.05453	5.4
105.07008	9.4
107.04932	4.6
109.06500	2.1
111.04367	1.3
115.05434	5.5
116.06228	1.0
117.06983	1.9
118.04200	1.4
119.04938	5.6
119.08591	2.5
121.06516	2.9
121.31606	1.1
122.03624	6.6
123.04414	1.3
128.06206	3.3
129.06984	3.7
130.04102	1.1
131.04906	10.8
132.05667	2.7
133.06474	8.1
135.04430	2.0
136.04027	1.1
137.05962	100.0
138.06308	1.6
141.06895	2.2
145.06432	2.6
146.03578	1.3
147.04355	7.4
147.08066	2.8
149.05978	4.4
151.03885	3.2
151.07497	2.9
155.04846	1.1
157.06448	2.3
159.04398	1.2
159.08005	3.1
160.05180	2.2
161.05963	22.9
163.07497	6.9
165.06995	2.5
166.07719	1.1
167.07042	2.6
171.07942	1.8
172.05177	3.9
175.07518	24.2
177.05539	1.6
178.07816	1.8
179.07028	3.3
179.08501	1.8
184.05115	1.8
185.05945	1.4
186.06734	1.3
187.07536	17.1
189.05415	1.5
189.06924	3.0
190.07764	4.8
190.45345	1.1
191.07095	2.5
191.08572	6.2
194.07245	1.5
195.06419	1.7
195.07974	1.3
199.07532	13.5
201.09001	1.1
202.07735	5.4
203.08559	6.7
205.06554	3.2
206.07300	2.5
207.07997	2.1
215.08623	5.3
217.08447	1.9
218.07277	7.0
219.07996	12.8
220.08765	2.8
221.05867	1.4
221.09554	4.8
225.09302	1.3
230.07243	1.1
231.08009	7.5
232.08762	3.6
233.09550	7.8
234.06718	2.2
235.07574	4.0
236.08231	1.8
237.09129	2.0
243.08115	1.5
246.06755	3.7
247.07465	8.4
248.08282	3.9
249.08923	6.1
250.09937	2.4
251.10666	10.7
253.08633	3.0
259.07529	4.8
260.08218	2.5
261.09073	9.3
262.06525	1.3
262.09698	1.5
263.07214	2.0
263.10675	5.2
264.07816	2.5
265.08459	5.1
275.06915	1.2
275.10742	1.7
276.07855	2.2
277.08527	6.0
278.09436	3.7
279.10208	11.7
280.10825	1.6
281.08124	1.5
283.09668	1.9
285.11273	5.5
289.08527	8.8
290.09177	1.9
291.10037	8.3
292.10812	2.3
293.08676	1.4
293.11642	8.2
295.09833	1.4
295.13116	2.0
296.10400	1.4
297.11227	8.2
303.10181	1.5
305.07962	1.1
305.11572	1.2
306.11963	1.4
308.10150	1.8
309.07593	1.6
309.11166	26.9
311.12747	17.3
315.12415	4.9
321.11166	30.5
322.11850	1.4
323.12650	8.6
335.12744	1.3
347.12830	1.7
353.13733	1.4
357.66043	1.5
380.15897	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2114
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.9
55.01863	1.7
66.04707	1.1
68.07596	1.0
70.06593	1.4
71.04375	2.6
79.05480	2.8
81.07043	1.9
82.21733	1.1
82.55362	1.2
85.17542	1.1
90.04722	1.1
91.05468	9.5
94.04181	3.3
95.04964	3.0
103.05460	24.4
105.07030	10.4
107.04950	5.2
109.06512	1.4
111.04442	1.1
115.05446	4.8
116.06258	1.9
117.07018	2.0
118.04173	1.7
119.04938	6.6
119.08569	2.5
121.06506	1.8
122.03648	6.9
123.04494	1.1
128.06203	3.0
129.07002	3.2
131.04916	44.7
131.08466	1.1
132.05701	3.2
133.06493	7.9
135.04370	1.5
137.05963	100.0
141.06969	1.6
144.05692	2.6
145.06487	2.2
147.04379	8.3
147.08003	2.8
149.05994	2.0
151.03935	1.4
151.07549	2.4
155.04877	1.9
156.05701	1.2
159.08034	6.6
160.05301	2.0
161.05966	24.0
162.06789	2.2
163.07524	14.5
165.06972	2.6
167.07016	1.6
172.05185	4.2
175.07518	22.9
177.09090	1.2
178.07726	2.7
179.07024	3.5
179.08469	1.7
182.69073	1.0
185.05986	2.2
187.07521	18.0
189.05434	2.4
189.06964	2.6
189.09077	1.6
190.07745	3.5
191.06989	2.3
191.08551	6.5
194.07231	3.2
199.07498	12.2
202.07753	6.2
203.06927	1.6
203.08536	8.4
205.06583	2.3
205.08453	1.9
206.07355	3.0
207.08093	2.6
215.08577	3.8
216.07747	1.6
217.06493	2.3
217.08621	3.2
218.07210	7.5
219.08031	11.8
220.08778	3.8
221.05988	2.2
221.09599	3.6
222.06570	1.8
225.09077	1.5
231.07974	9.0
232.08797	3.3
233.09564	6.7
234.06734	2.6
235.07550	4.5
236.08279	1.9
236.57237	1.2
237.09045	2.8
243.08086	1.5
246.06691	3.2
247.07524	5.8
248.08311	3.9
249.09070	6.9
250.09914	2.3
251.06898	1.6
251.10655	10.4
253.08534	2.5
259.07529	4.6
260.08401	2.6
261.09106	5.9
263.07208	1.3
263.10648	3.0
265.08459	6.1
266.09247	1.5
267.10156	2.3
275.10507	1.8
276.07867	1.7
277.08545	7.3
278.09329	3.9
279.10104	10.5
281.11624	2.0
283.09695	2.8
283.12970	1.2
285.11130	4.6
289.08487	7.3
290.09280	1.9
291.10159	6.1
292.10904	1.3
293.11694	6.6
297.11218	8.4
303.09952	1.6
307.09741	2.2
309.11172	40.7
310.11856	1.2
311.12701	14.4
315.12164	4.6
321.11197	30.0
322.11865	1.7
323.12762	6.2
327.12476	1.4
335.12646	4.0
339.12094	1.3
340.12939	1.6
347.12976	1.4
349.13770	1.1
353.13748	2.1
366.01166	1.3
459.17896	2.6
537.21082	1.2
540.53717	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2118
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.3
54.77136	1.0
55.01859	4.7
55.28607	1.1
56.57608	1.4
58.98851	1.1
65.03921	1.8
70.06581	4.4
70.55963	4.4
72.08138	1.4
76.79433	1.1
79.05478	4.0
84.08092	1.9
86.09708	2.4
91.05460	12.4
93.07030	2.0
94.04166	2.6
95.04959	6.6
103.05457	55.4
105.07025	15.6
107.04911	6.3
109.02801	1.1
109.06522	1.5
111.04385	2.5
115.05447	4.0
116.06222	1.6
117.07005	2.5
118.91193	1.2
119.04925	8.6
120.08088	2.3
121.06483	4.4
122.03637	5.0
123.04395	3.4
125.06003	2.2
128.06241	2.3
129.07005	5.0
131.04919	100.0
132.05632	1.2
133.02847	3.2
133.06474	11.4
135.04430	4.2
137.05968	74.3
144.05638	1.8
145.06471	3.6
146.03610	2.9
147.04407	14.5
147.08026	3.2
148.05174	3.5
149.06046	5.5
150.06754	2.8
151.03897	25.7
151.04977	2.1
151.07550	2.9
153.05406	2.4
155.04906	1.6
157.06485	3.4
159.08049	7.1
160.05173	3.4
161.05968	35.0
161.09612	4.1
162.06732	3.2
163.03937	1.9
163.07529	70.5
165.05533	2.4
165.07028	1.8
167.07040	4.0
167.08415	1.3
172.05202	8.4
174.06769	6.7
175.07542	17.0
177.05402	3.1
177.09074	2.8
178.06207	3.3
178.07593	1.3
179.07047	7.6
179.08434	1.4
181.06502	1.4
182.07356	1.2
185.05977	2.1
186.06668	1.5
187.07536	35.8
189.07307	1.7
189.09079	17.2
191.06969	3.1
191.08618	3.1
193.08595	2.3
195.06557	2.8
196.07211	1.6
199.07542	3.1
201.09163	2.7
202.07890	2.0
203.07036	8.0
203.08632	4.1
205.06566	2.8
205.08534	1.8
207.08199	1.4
214.06226	1.3
215.08519	1.8
217.08582	12.1
218.07275	2.6
219.08014	7.1
219.10118	2.3
220.08759	1.4
221.09615	2.0
222.06815	1.5
223.07442	2.2
227.04800	1.2
231.08051	4.7
233.09689	3.0
234.06845	1.2
235.07562	3.5
237.09032	1.8
238.09789	1.8
239.06993	2.2
240.07796	2.1
246.06702	1.2
247.07562	4.3
248.08394	4.0
249.09117	3.8
251.06937	2.2
251.10747	3.9
253.08563	4.6
255.10081	5.9
259.07437	1.9
260.08136	1.8
261.09134	4.5
263.10721	2.7
264.07742	1.9
265.08652	4.6
266.09399	1.5
267.10275	1.8
268.07486	1.5
270.08932	3.5
275.07059	1.2
276.07874	1.7
277.08524	4.0
278.09131	1.8
279.06592	2.6
279.10178	6.1
281.08084	4.2
281.11658	3.0
285.11374	1.9
289.08398	1.6
291.10049	5.5
295.09787	2.4
297.11264	4.2
299.09091	1.7
307.09726	8.7
308.10284	2.4
309.11206	27.3
310.11774	1.7
311.12711	10.0
312.13306	2.2
321.11185	10.5
323.12787	8.5
324.13470	4.6
327.12283	2.6
339.12305	1.9
340.13147	1.3
341.13699	5.4
342.14557	4.8
343.14883	1.3
365.14178	1.4
519.19812	2.0
537.21216	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2115
Annotation	Unknow
Peak:m/z	Relative Intensity
65.96862	0.8
67.09971	0.6
70.88778	2.0
79.05479	1.7
81.07055	0.7
87.22050	0.7
91.05470	5.6
94.04172	2.9
103.05450	1.8
105.07018	3.4
107.04956	0.9
109.06512	2.1
115.05444	1.7
117.07021	1.2
119.04947	1.6
119.08550	2.3
119.28919	0.6
121.06479	2.2
122.03659	7.7
122.82788	0.7
123.07977	0.7
128.06244	1.8
129.07002	2.3
131.04936	2.9
132.05725	2.7
133.06464	2.0
134.00499	0.8
137.05966	100.0
145.06459	2.2
146.03604	1.1
147.04420	0.8
147.08017	4.4
149.06024	1.1
151.03902	1.7
151.07542	2.0
159.08066	2.1
160.05203	1.4
161.05969	11.7
161.74263	0.7
163.07497	1.8
165.06996	2.9
166.07755	1.7
172.05109	0.9
174.06776	1.2
175.07532	26.4
177.07033	1.3
177.08963	1.2
178.07784	0.8
179.07051	0.8
179.08519	1.4
181.06421	0.9
187.07513	7.1
189.07080	0.8
189.09145	2.0
191.06985	0.8
191.08556	1.1
193.06502	2.2
193.08586	4.3
194.07254	6.5
195.08049	1.7
199.07581	2.6
202.07576	0.8
203.08607	1.0
205.06523	3.1
205.08423	1.2
206.07237	1.5
206.28320	0.7
207.07947	1.0
208.08829	0.9
209.09657	1.1
210.06763	1.2
211.07538	1.2
215.08690	0.9
217.08446	1.4
219.08093	1.6
220.08812	1.1
221.05983	5.1
222.06712	5.2
224.08229	1.1
225.09105	1.9
231.08096	2.1
233.05981	1.6
234.06805	2.1
235.07510	1.8
237.09050	4.9
238.06192	1.0
243.08052	1.3
247.07559	1.5
248.08359	2.0
249.09131	2.9
250.06247	1.3
251.07120	1.1
253.08681	3.1
263.06992	1.0
263.10684	1.0
264.07773	0.8
265.08554	18.8
266.09335	1.2
267.10193	1.9
268.07257	0.8
271.07462	1.1
275.10553	1.7
276.07925	0.8
277.08569	4.8
279.10062	1.2
282.08844	1.2
283.09647	4.5
285.11200	10.4
288.07874	1.0
289.08301	1.4
291.09995	1.0
294.08795	0.9
295.09677	1.7
297.11179	26.9
303.10007	3.5
304.11002	1.0
309.11292	5.6
310.12103	0.9
321.11261	2.5
323.12701	3.0
327.12128	1.1
335.12860	1.5
341.13635	3.5
353.13718	2.4
364.10959	1.0
365.13647	0.9
369.11136	0.9
399.16052	1.2
427.15344	2.3
439.15231	2.1
457.16400	1.4
459.18106	6.1
471.17908	3.8
483.17725	1.6
489.18988	1.8
501.17999	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2118
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	0.6
53.03930	0.8
55.01862	1.1
55.05512	0.3
65.03935	0.6
70.06585	0.7
70.11275	1.6
73.02923	0.6
76.34609	0.3
77.03901	0.5
79.05480	1.3
81.03406	1.1
81.07040	0.4
83.04962	0.6
85.02902	0.3
86.09699	0.3
91.05436	2.1
94.04176	0.4
94.09128	0.3
94.09693	0.3
95.04984	1.5
95.94575	0.3
98.20760	0.3
103.05457	47.2
105.07036	3.4
107.04930	0.7
109.02859	1.3
111.04424	2.1
115.05450	1.0
115.08724	0.3
117.07027	0.4
118.04178	0.4
119.04919	1.3
121.06480	0.7
122.03659	1.2
123.04373	0.3
125.05975	1.5
126.03132	0.3
127.03957	0.4
128.06197	0.4
131.04918	100.0
132.05276	0.9
133.06505	2.7
137.05966	17.3
139.03920	0.7
141.05457	2.7
143.06047	0.3
143.08635	0.3
145.06450	0.4
147.04402	1.7
149.06001	0.7
151.03900	1.0
151.07524	0.8
153.05437	1.5
155.08418	0.4
157.06410	0.3
159.08080	0.5
160.05196	0.5
161.05968	9.4
162.06734	1.0
163.07527	27.3
164.07919	0.4
165.05455	0.4
165.06949	0.8
167.05707	0.3
167.07037	1.1
167.08505	0.3
169.06415	0.5
174.06685	0.4
175.07542	1.7
177.05481	0.8
179.07062	1.8
181.04941	0.8
181.06465	0.6
187.07553	2.7
189.09059	0.5
191.07011	0.7
193.06517	0.4
195.06464	2.1
195.07803	0.3
197.05891	0.3
199.07538	0.8
201.09073	0.4
203.06975	0.6
205.08540	0.6
209.08055	1.8
210.06630	0.6
211.07608	0.6
213.05585	0.3
213.09021	0.4
217.08582	0.5
219.08092	0.5
221.05893	0.9
222.06665	0.3
225.09099	0.8
227.07066	0.5
237.09033	0.7
238.06265	0.3
241.08533	0.4
247.07471	0.5
249.09232	0.3
251.10394	0.4
253.08601	1.0
255.10164	0.4
264.07678	0.3
265.08624	0.6
269.07986	0.4
277.08487	0.4
279.10159	0.5
283.09589	0.5
285.11136	1.2
289.08658	0.5
295.09598	0.4
297.11209	0.7
299.06158	0.5
300.06177	0.5
303.12198	0.4
307.09763	0.5
309.10901	0.3
311.09277	0.4
311.12665	0.5
313.10516	0.4
315.12332	0.6
321.11276	0.4
323.12280	0.5
325.10623	0.5
335.13049	0.5
339.12347	0.5
365.13824	0.6
375.14716	0.5
403.27151	0.3
448.15536	0.6
501.18961	0.4
508.06680	0.3
519.19543	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2117
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	1.1
55.01635	0.6
55.01862	4.7
65.03932	1.6
67.05479	0.6
69.63033	5.8
70.06592	3.1
72.08151	1.1
73.02888	0.8
77.03922	1.1
79.05475	3.3
81.03389	2.1
81.07044	1.3
83.04967	1.7
84.04489	0.6
84.08126	1.0
85.02905	1.2
86.09704	1.9
91.05456	13.3
92.61563	0.7
93.07061	1.1
94.04170	3.0
95.04948	3.8
97.02920	0.7
98.21458	1.1
99.96320	0.7
101.18059	0.7
103.05455	48.1
105.03397	3.3
105.07024	7.2
107.04915	3.2
109.02874	1.6
109.06478	1.7
110.07169	1.2
111.04419	4.3
115.05433	3.4
116.06220	1.4
117.07031	1.5
119.04929	15.3
119.08587	0.7
120.08036	1.2
121.06520	1.6
122.03636	4.6
123.04410	1.1
123.08103	1.1
125.05954	1.4
127.03916	1.1
128.06248	1.2
129.06967	1.2
129.10298	0.8
131.04912	100.0
133.02904	0.9
133.06483	7.7
135.04373	1.7
135.08057	1.6
137.05960	80.4
141.05428	1.7
143.04898	1.1
144.05663	1.7
145.06471	2.8
147.04396	5.2
147.07977	1.2
149.05954	2.4
151.03954	4.2
151.07521	10.6
153.01828	1.5
153.05470	2.5
153.06944	1.1
155.04906	0.9
157.06468	0.9
159.08032	1.7
160.05157	1.6
161.05968	16.6
162.06755	1.9
163.03891	0.9
163.07523	36.9
165.05464	2.2
165.06866	1.3
167.05614	0.8
167.07001	2.5
167.08369	0.8
171.04402	0.8
172.05148	1.2
173.06046	1.2
174.06764	0.7
175.07538	5.0
176.04776	0.9
177.05484	2.1
179.07083	5.4
179.08490	1.1
181.06473	1.4
182.07306	0.9
187.07484	5.9
189.05455	1.5
189.09001	1.3
190.06201	1.6
191.06979	1.4
195.02840	0.8
195.06468	4.5
197.05919	0.8
199.07533	2.5
201.08966	1.1
203.06996	4.2
204.07793	7.4
205.08517	1.8
207.08055	1.0
209.06082	0.9
209.08020	1.2
211.07628	1.6
213.09064	1.0
215.10832	0.7
217.08517	4.5
219.08084	1.1
221.05949	1.5
222.06810	1.0
225.09018	1.8
227.07133	0.8
235.07582	1.1
236.08423	0.7
237.09096	1.1
241.08633	0.8
247.07520	0.9
248.08363	0.8
249.09186	1.6
253.08620	2.8
255.10077	1.3
261.09103	1.4
263.07059	0.8
265.08554	3.3
267.10165	0.7
269.08411	0.7
269.11682	0.7
271.09735	2.1
277.08591	2.9
279.10312	0.8
281.08191	0.7
289.08722	0.9
291.10144	1.3
293.08508	0.7
295.09525	0.8
297.11115	1.8
299.06393	1.0
307.09622	2.0
309.11191	1.7
311.12741	0.8
321.11224	2.3
333.11182	1.4
339.12256	2.2
340.12964	5.0
341.13699	1.9
347.12961	1.4
357.13443	1.2
365.13818	1.7
375.14169	0.8
479.90823	0.7
501.19345	0.8
507.20251	1.1
519.20178	2.2
537.20544	0.8
538.13177	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.3791
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	3.8
55.05505	52.0
57.03420	10.6
57.07068	30.3
59.04994	4.2
60.08136	10.3
61.02915	10.0
67.05492	67.3
69.03410	12.7
69.07063	84.7
71.04978	7.6
71.08626	23.0
71.76416	5.2
71.76814	3.4
73.52244	3.5
74.12864	3.4
75.75149	3.0
77.20618	3.1
79.05486	25.5
81.03403	17.6
81.07047	78.7
83.04973	4.4
83.08617	54.1
85.02876	28.9
85.06501	5.1
85.10173	12.4
86.09293	3.2
86.09702	29.6
89.06031	9.8
91.05454	8.7
93.07047	34.4
95.04954	5.0
95.08598	81.6
97.02871	9.5
97.06504	11.6
97.10147	37.3
98.12170	3.0
98.98527	4.0
99.04437	8.4
99.08078	5.9
99.52467	3.3
102.92085	3.5
104.10732	77.0
105.07018	7.3
105.17571	3.3
106.90158	3.1
107.08605	23.8
109.02878	4.1
109.10136	35.7
111.04424	7.4
111.08065	6.9
111.11693	14.1
113.09669	3.6
121.10110	42.6
123.11691	14.0
124.99976	18.3
125.09612	4.5
127.03889	7.3
129.58119	3.9
133.08543	4.1
133.10118	6.0
135.11687	35.9
137.13222	4.9
145.04903	10.8
149.13229	16.8
153.12697	4.8
163.14809	7.9
165.16365	6.6
167.14388	4.2
177.16357	4.6
184.07306	75.3
191.18048	4.4
205.88751	3.3
246.67892	3.5
247.24199	37.7
265.25238	100.0
266.29218	3.7
283.26324	11.7
299.06119	7.5
335.25760	4.1
339.28912	64.4
349.27197	5.0
355.26321	7.8
357.29926	12.0
373.27252	28.2
391.28439	30.7
409.29462	34.3
427.30545	18.0
518.36047	8.0
536.37158	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	536.3708
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	1.7
56.05021	1.2
57.03415	0.6
57.07075	0.4
58.06594	1.3
60.08156	17.1
65.41483	0.3
67.05489	1.5
69.07065	2.5
70.59978	1.3
71.07365	6.3
71.08625	0.3
79.05489	0.4
79.27441	0.3
80.47054	0.4
81.07056	1.2
83.08608	1.5
86.09696	50.6
93.07036	0.8
95.08599	1.6
97.10143	0.9
98.20821	0.4
98.98457	3.5
104.10730	100.0
105.15337	0.4
107.08527	0.4
109.10164	0.7
121.10095	0.6
124.99989	29.1
133.08507	0.5
135.11638	0.4
143.01036	0.5
163.01608	1.1
184.07324	93.1
258.11081	0.5
299.06253	0.7
353.30539	1.0
358.98672	0.3
397.69424	0.4
429.88812	0.4
471.20416	0.3
518.35986	8.1
536.37097	26.6
537.37054	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.3345
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	0.4
56.05022	0.7
56.85219	0.3
58.06593	0.6
60.07891	0.5
60.08159	6.5
60.09743	0.3
66.19391	0.3
67.05485	1.4
69.07042	0.3
69.95657	0.9
69.96068	1.1
70.06585	0.3
71.07375	2.5
72.08149	0.7
79.05458	0.7
81.07032	0.8
84.08111	0.4
85.02881	0.4
86.09698	29.7
91.05412	0.7
93.07046	0.7
95.08591	0.5
96.83031	0.3
98.21352	0.4
98.98455	3.1
104.10737	3.1
105.07012	0.4
105.31965	0.3
107.08585	0.4
109.10149	0.4
124.99995	22.2
131.08556	0.5
139.83406	0.3
141.53333	0.3
159.09962	0.3
167.05548	1.3
184.07332	100.0
185.07605	0.5
215.54329	0.3
226.10887	0.6
256.03082	0.4
299.06180	1.8
307.82590	0.3
344.97803	0.3
383.84506	0.3
415.03488	0.5
500.31384	0.9
518.32379	4.4
536.32672	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.3707
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05473	2.3
56.05013	1.5
57.07066	1.7
58.06576	1.3
60.08162	16.2
67.04761	0.7
67.05470	2.2
69.07068	3.5
70.64461	0.7
71.07367	6.8
71.08602	1.7
71.73166	1.2
73.35928	0.7
78.20627	0.8
80.15522	0.7
81.07020	2.7
83.08590	2.1
86.09705	52.9
89.06010	1.2
91.05806	1.4
95.08590	1.6
97.10137	0.9
98.98444	3.6
104.10739	94.3
105.11031	1.1
109.10098	0.8
125.00003	28.8
143.01019	1.0
167.05618	0.9
184.07344	100.0
188.41673	0.8
198.57681	0.8
258.10959	1.4
299.06192	1.5
353.30249	1.0
395.41934	0.7
518.35992	8.2
536.37268	27.0
537.37939	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.3341
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	1.6
56.05020	2.1
58.06592	1.4
59.07371	0.7
60.08155	16.8
67.05487	3.5
69.07035	1.3
70.06569	1.2
71.07359	5.8
72.08125	0.6
72.93818	0.5
73.04768	0.8
79.05471	2.2
81.07046	3.7
86.09695	55.1
87.10038	0.7
91.05400	1.5
91.05867	1.0
93.07028	2.6
95.04917	0.9
95.08586	1.7
98.98453	3.5
104.10728	98.5
105.07011	1.3
107.08540	0.7
109.10139	1.2
114.64792	0.5
117.06995	0.8
124.99985	30.2
131.08519	0.9
146.82349	0.6
159.15897	0.6
167.05544	2.6
184.07318	100.0
185.07661	1.4
186.07753	1.2
239.09584	1.0
258.10992	1.3
267.00085	0.7
283.02969	0.8
299.06122	3.4
351.25055	0.9
500.31226	7.5
518.32355	37.9
519.32458	0.7
536.32275	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.3227
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27936	0.2
55.05490	0.5
57.03432	0.3
57.31554	0.2
65.03932	2.4
67.05505	1.0
67.39463	0.2
69.07047	0.8
70.53613	0.9
71.05005	0.2
79.05470	1.1
81.03384	0.2
81.07056	2.0
85.02899	0.2
85.06554	0.2
85.89353	0.2
87.33013	0.2
89.59380	0.2
91.05470	100.0
92.05800	0.8
93.07027	0.7
94.07395	0.2
95.08600	0.7
97.06525	0.4
105.07014	0.6
106.06549	0.4
107.08583	0.6
109.06526	0.4
109.10143	0.2
113.13248	0.2
117.07001	0.4
119.08580	0.4
123.08078	0.2
133.10136	0.2
134.69724	0.2
136.06163	2.1
147.11656	0.2
148.06177	3.1
149.09659	0.2
159.11659	0.3
167.05463	0.4
176.09404	0.2
184.07310	1.4
190.10905	0.3
226.10849	39.7
227.11195	0.4
235.33046	0.2
238.10846	0.7
239.11632	0.4
252.12434	2.2
266.13943	0.4
271.10611	0.6
280.15729	0.4
294.17197	0.3
299.06238	0.6
308.18661	0.6
322.20248	0.3
336.21942	0.4
344.97684	0.3
466.24591	0.3
466.78622	0.3
518.31213	0.8
536.32288	58.9
537.32593	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.2267
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	4.7
55.05502	6.3
56.05031	1.0
57.03419	1.6
58.99581	11.9
61.02909	0.9
65.03920	1.4
67.05501	8.1
69.03418	3.3
69.07066	2.3
69.52234	7.5
70.06572	3.9
71.05014	1.2
74.00635	1.4
76.02218	82.6
76.03983	4.2
79.05485	6.7
80.04993	2.1
81.03402	23.0
81.07036	6.8
83.04968	7.1
83.06097	2.6
83.08603	9.4
84.04494	24.2
85.02911	1.4
85.04006	5.3
86.09717	2.3
86.99031	4.4
88.02213	2.7
89.05944	1.2
91.05463	9.4
92.01714	1.5
93.07029	2.8
95.04955	9.5
95.08588	3.0
97.01114	2.3
97.02872	1.5
97.06535	1.3
97.10146	2.5
98.21532	1.3
105.07002	5.9
107.04928	2.6
107.08597	1.9
111.04446	1.4
111.08092	2.3
112.02202	1.6
112.03967	1.2
113.03491	2.1
113.05994	1.4
115.05436	1.2
116.01665	25.0
117.07034	1.4
119.04932	2.9
119.08583	5.0
120.05252	1.4
120.08105	1.4
121.02853	10.3
121.10118	2.5
122.03188	4.3
123.07999	0.9
129.07018	2.5
130.04987	16.2
131.04506	2.1
131.08551	4.3
133.06476	2.0
133.10121	2.9
134.24733	1.3
135.04291	1.0
137.09669	1.2
142.03191	8.6
144.01138	12.3
145.02878	1.3
145.06064	2.3
147.11688	4.2
148.03952	3.5
149.09616	1.8
157.10129	3.0
160.18434	1.1
162.02179	42.0
165.01794	2.6
170.02719	3.4
175.11171	5.4
177.03253	12.4
179.04832	100.0
183.02902	1.3
185.03844	1.9
187.05351	1.8
189.01819	2.1
191.03401	1.7
193.12224	18.5
195.02928	2.3
199.05550	1.0
203.03397	2.6
204.03738	1.9
204.06566	3.0
208.03250	2.3
211.13268	39.0
214.77122	1.0
215.03093	1.7
215.04968	1.7
216.03598	1.6
218.05367	1.8
222.04630	1.2
231.04362	1.4
233.05917	19.4
233.70540	1.2
245.05920	3.4
255.11232	1.4
258.04767	1.0
268.07028	1.4
268.13638	1.0
273.12433	1.3
280.07043	1.0
284.06317	2.1
286.14682	2.6
287.12946	1.3
290.07822	2.3
291.06473	1.9
292.06946	1.3
293.07822	1.3
294.05130	1.3
294.08282	1.4
295.05884	9.7
296.06281	15.1
297.07172	2.1
297.69742	1.0
298.07639	1.1
299.05542	6.2
300.05762	10.8
301.11700	2.4
306.08041	1.8
307.06030	6.5
307.09024	1.0
308.06287	8.0
308.09140	77.3
309.07016	5.4
310.07901	4.0
314.07327	1.1
320.06500	2.0
321.07404	7.8
322.07880	12.8
323.08664	1.7
324.02655	1.3
324.06104	1.3
324.09650	1.5
325.06979	3.3
326.07379	9.5
333.07486	3.1
334.07925	8.9
335.08701	3.0
336.09378	4.3
337.06738	5.0
338.07379	9.9
339.07944	1.1
340.08990	2.1
343.12888	1.4
346.07944	4.4
348.09464	2.3
349.07010	3.6
350.07434	10.5
351.08469	1.9
352.08975	5.8
356.08377	1.6
361.06900	1.6
362.07394	9.5
363.08578	3.4
364.08871	7.7
365.06580	1.8
366.06833	7.6
367.07907	1.2
368.08435	3.4
371.16333	1.5
374.07370	4.1
376.08792	3.2
378.06589	1.8
379.07993	3.6
380.08453	20.9
388.08792	2.9
390.10464	2.1
391.07941	2.8
392.08444	15.3
394.10089	2.1
397.08841	2.2
398.09491	12.9
400.09119	1.6
404.08673	3.6
406.09940	1.4
409.09061	2.6
410.09485	17.9
411.09485	1.3
414.08966	1.4
416.08786	3.2
418.10297	2.2
422.09567	1.5
427.10489	2.2
428.10648	11.7
434.09512	9.7
446.09912	6.1
452.10602	8.4
464.10587	10.4
470.11716	13.4
482.11612	36.8
483.11493	2.0
500.12668	22.2
518.13531	5.2
518.21509	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	535.1958
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71156	2.1
53.03928	3.9
55.01862	2.7
58.06901	2.1
65.03907	3.2
69.17788	1.9
70.06572	5.9
70.07936	6.4
70.08331	4.4
75.02132	2.0
79.05494	13.2
83.04996	2.4
84.08163	3.3
85.02901	3.0
89.03921	2.4
91.05461	18.5
93.07011	2.5
94.04168	3.5
95.04965	5.3
102.04687	3.8
103.05434	21.1
103.05959	1.9
105.03371	2.3
105.07011	33.3
107.04986	10.4
109.06466	2.6
111.04435	9.4
115.05444	16.0
116.06225	3.8
117.07014	4.8
119.04927	15.8
119.08582	7.0
120.08123	2.3
121.06514	9.0
122.03650	10.5
123.04393	6.2
127.05518	2.4
128.06224	10.5
129.07013	13.2
130.04150	10.7
131.04922	36.2
131.08563	2.5
132.05678	6.7
133.02824	16.2
133.06464	22.6
134.03619	2.7
135.04391	15.9
137.05957	78.7
141.07011	3.3
143.04893	3.2
144.05704	6.6
145.06441	7.1
146.03598	4.6
147.04401	34.2
147.08003	10.4
149.05959	23.8
150.06754	25.7
151.03903	8.8
151.07507	7.2
152.06152	3.1
153.05466	35.5
153.06860	3.6
155.04854	3.7
156.05620	3.8
159.04352	3.7
159.08044	30.4
159.09267	2.1
160.05200	7.3
161.05966	69.4
161.07343	3.3
162.06761	38.0
163.07509	19.6
165.05463	19.9
165.06960	6.2
166.07838	3.5
167.07016	8.1
167.08420	2.1
168.05710	3.9
171.08049	2.2
172.05170	17.9
175.03987	3.2
175.07523	67.9
175.83516	2.5
176.04669	2.1
177.05458	16.3
177.06888	3.5
178.07704	12.0
179.07047	4.5
179.08546	4.3
181.06467	3.6
183.08102	2.5
184.05179	7.6
185.05966	3.5
186.06673	4.8
187.07526	94.4
188.07962	2.3
189.05397	6.0
189.07008	7.3
189.09160	2.4
190.07767	7.5
191.07022	3.1
191.08533	9.4
193.06447	2.3
194.07343	6.9
195.08080	7.4
197.09593	2.5
199.07527	40.4
202.07796	6.8
203.06984	7.9
203.08606	5.5
205.06477	19.6
206.07210	19.2
207.08087	9.4
209.09679	4.0
211.07574	5.2
213.09264	3.3
215.08646	5.2
217.06493	3.7
217.08517	7.8
218.07300	11.2
219.08057	13.0
220.08829	3.7
220.19374	2.4
221.05879	10.8
221.09535	12.9
222.06718	10.8
222.10591	2.2
223.07530	14.4
231.08070	9.0
232.08722	5.1
233.05930	11.5
233.09590	5.9
234.06725	24.5
235.07477	12.6
236.08365	6.4
237.05516	3.2
237.09125	17.2
238.09798	6.0
239.07007	8.5
241.08624	3.3
245.05875	6.1
246.06720	8.3
247.07503	16.2
248.08324	10.2
249.05363	3.4
249.09093	27.5
250.06282	14.5
250.09726	4.9
251.07016	13.1
251.10632	3.5
253.08546	4.8
253.12282	3.4
254.09373	2.5
259.07516	5.8
260.08261	4.8
261.05554	3.0
261.09097	13.2
262.06216	5.8
262.09912	4.1
263.07053	8.7
263.10626	6.9
264.07864	6.2
265.08569	37.6
266.09387	10.4
267.06622	2.9
267.09866	3.1
268.07236	2.8
269.07990	2.3
273.05389	3.3
275.07089	4.6
276.07877	7.3
277.08530	36.0
278.05637	3.6
278.09283	4.6
279.06613	4.3
279.10233	7.9
281.08191	9.9
281.11713	12.1
282.08917	4.3
283.09647	4.1
289.08624	9.0
290.09235	4.3
291.06918	5.2
291.10168	13.4
292.07318	4.0
293.08078	23.2
293.11646	5.7
294.08823	10.4
295.09793	4.5
297.11203	29.9
301.10672	43.5
303.10284	3.0
305.08081	19.1
305.11136	3.3
306.08722	5.4
307.09564	15.2
309.07669	3.0
309.11139	38.3
310.08322	4.0
313.10669	11.3
319.09720	6.2
321.11145	18.6
322.08414	2.7
322.11993	5.0
323.12842	5.1
325.10678	100.0
326.10907	2.8
331.11725	4.9
335.12750	3.2
337.10660	88.7
338.11215	4.4
339.12335	2.9
351.12277	6.0
355.11688	8.3
359.12177	2.3
363.12344	3.3
375.12125	5.2
381.13153	3.7
455.14960	8.6
467.14795	5.1
475.17752	5.6
485.16010	3.5
487.17398	12.7
499.17661	12.8
505.18445	8.1
517.18744	14.4
535.19348	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	535.1961
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.5
55.01846	3.5
55.05501	1.0
61.82567	0.9
65.03931	1.7
67.05477	1.3
70.06586	1.5
70.24915	5.3
70.55724	1.0
71.01352	1.2
79.05473	4.4
81.07059	2.5
84.08128	1.1
85.70486	1.0
86.09663	1.2
88.19125	1.2
91.05470	9.5
94.04186	3.5
95.04928	3.5
98.20805	1.7
100.11227	1.8
103.05463	5.8
104.80579	1.1
105.07014	6.3
107.04955	6.7
109.06522	2.2
115.05439	5.0
117.03365	1.4
117.07005	2.9
119.04938	5.1
119.08559	1.6
121.06481	3.9
122.03638	10.4
125.05974	2.1
128.06177	2.5
129.06987	1.9
131.04895	11.2
132.05725	2.4
133.02840	3.2
133.06494	5.2
135.04402	3.0
137.05962	100.0
141.05399	1.1
144.05623	2.3
145.06433	4.1
146.73380	1.0
147.04388	6.2
147.07976	2.4
148.05159	1.6
148.06267	1.1
149.05974	6.3
150.03098	1.2
150.06784	1.8
151.03897	25.5
151.04968	1.5
151.07518	3.8
153.05411	1.7
155.04897	2.7
156.05667	1.4
157.06425	1.2
159.08073	2.7
160.05159	3.4
161.05977	18.1
163.03900	1.7
163.07506	4.3
165.05432	5.0
165.06940	3.1
166.07695	1.5
167.07010	6.2
167.08409	1.8
171.04422	2.1
172.05164	3.6
173.05934	2.0
175.07510	15.0
177.05444	5.7
177.06931	2.0
178.07735	2.9
179.07043	3.9
179.08490	1.2
181.06404	2.5
183.04414	2.2
184.05115	1.3
185.06013	8.4
186.06744	1.7
187.07520	11.1
189.05434	6.1
189.07002	2.9
190.07738	4.1
191.06973	5.4
191.08531	3.3
193.06477	2.3
194.07263	3.9
195.06465	6.5
195.07945	2.3
198.06723	2.0
199.07509	3.9
200.04607	1.6
201.05414	2.3
202.07726	5.3
203.06914	7.3
203.08583	4.4
205.06464	6.1
206.07216	4.6
207.08060	3.0
209.09668	1.6
210.06741	1.6
211.07565	2.1
213.05348	1.3
215.06874	7.6
215.08772	2.5
216.07814	7.7
217.06572	2.2
217.08421	1.8
218.07156	5.7
219.08076	7.2
220.08838	4.2
221.05949	4.4
221.09499	6.1
222.06708	3.3
223.07542	2.1
225.09001	2.0
229.06270	1.7
231.08139	7.7
232.08681	2.3
233.05936	3.1
233.09599	3.8
234.06773	7.1
235.07524	5.9
236.08203	2.1
237.05371	1.4
237.09102	4.5
239.10687	1.2
242.07405	1.3
243.07985	1.4
245.05959	2.6
246.06721	4.0
247.07593	9.3
248.08270	6.7
249.09123	10.1
250.06221	2.1
250.09940	2.6
251.07036	3.4
251.10666	2.7
252.07628	1.7
253.08591	3.4
258.06778	2.5
259.07495	6.8
260.08258	3.2
261.05252	1.2
261.09106	7.1
262.06186	3.7
262.09814	1.9
263.07022	5.9
263.10590	2.9
264.07718	2.6
265.08514	9.8
266.09314	1.6
267.09985	1.4
271.07458	1.5
272.08353	2.4
273.05481	1.7
273.09055	4.5
274.06192	2.3
275.06915	4.3
275.10324	2.1
276.07883	5.7
277.08527	16.3
278.09402	3.8
279.06924	1.5
279.10126	5.0
280.07446	1.4
283.09738	5.3
284.10486	1.5
285.08521	1.5
285.11255	4.9
287.07004	3.7
288.07642	3.1
289.08508	6.5
290.09268	2.6
291.07043	1.8
291.10107	8.0
292.10681	1.6
293.08075	2.9
293.11676	3.9
294.08762	2.4
295.09637	3.5
296.10419	1.8
297.11221	6.3
301.08554	3.5
303.10114	3.8
304.07278	2.1
305.07977	11.5
306.08963	2.0
307.09607	8.1
308.10416	2.4
309.11218	31.9
310.11743	2.2
311.12766	3.0
313.10953	1.8
314.09192	1.6
315.12192	4.4
317.08102	1.8
318.08722	1.5
319.09576	13.0
320.10287	2.4
321.11176	16.0
322.08380	2.3
322.11969	5.4
323.12866	1.2
330.09079	1.5
331.09555	3.6
332.10168	2.2
333.11234	8.2
335.12888	1.6
337.10699	37.7
339.12494	1.6
340.13113	2.3
345.11255	7.5
348.10153	2.6
350.09280	1.6
351.12292	16.4
363.12219	17.0
375.12170	4.4
381.13306	1.9
393.12820	2.2
405.10849	1.3
407.13220	1.2
423.12021	1.8
425.13580	1.8
427.15396	2.6
437.13882	3.2
455.14914	6.6
456.14838	1.3
457.16553	6.3
467.14667	1.8
469.16568	9.5
475.17545	3.4
481.16214	2.2
487.17670	13.6
499.17484	9.0
517.18170	2.2
535.19330	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.196
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	4.0
65.03934	0.9
66.04709	0.9
70.06567	1.0
70.65434	2.1
79.05470	2.3
81.07033	0.8
89.03899	0.9
91.05451	5.4
94.04195	4.5
95.04932	0.8
96.44285	0.5
103.05457	2.8
105.07029	2.0
107.04948	2.2
109.06541	0.8
115.05463	2.7
117.06992	1.1
119.04915	1.6
120.05693	0.8
121.06500	1.5
122.03630	11.0
128.06258	0.9
129.07027	1.0
131.04924	4.9
132.05733	0.7
133.06471	1.3
135.04408	1.2
135.08015	1.0
136.23813	0.5
137.05966	100.0
138.06314	0.6
141.98485	0.5
143.04912	2.1
144.05699	1.8
145.06442	2.3
146.03647	1.2
147.04414	2.1
147.08047	0.6
147.76633	0.6
149.06004	2.7
150.06664	0.6
151.03868	2.4
151.06500	0.5
151.07515	3.5
152.06148	0.7
153.06961	0.8
155.04941	3.0
155.05984	0.6
159.04410	0.8
159.07990	0.7
160.05215	1.7
161.05956	7.4
162.65161	0.5
163.07533	2.2
164.86774	0.6
165.05489	0.7
165.06984	1.7
166.07770	0.8
167.07018	1.8
167.08430	1.0
171.04405	0.8
172.05165	1.3
173.05994	1.6
174.06686	0.7
175.07564	3.7
177.05505	2.8
177.06865	0.8
177.16440	0.6
178.07764	1.2
179.06981	0.9
179.08498	0.9
181.06438	1.2
182.07314	0.6
183.04393	1.0
185.05998	4.3
187.07550	2.2
189.05467	1.7
189.07002	1.8
190.07761	1.0
191.07004	3.4
191.08607	1.6
193.06454	1.3
194.07275	1.2
195.08095	2.2
197.05952	0.9
199.07509	1.0
200.04706	0.8
201.05363	0.8
202.07784	2.5
203.07037	5.7
203.08615	1.6
205.06487	3.0
206.07272	1.9
207.08101	1.7
209.06145	0.6
210.06728	1.5
211.07527	1.1
215.07004	4.0
215.08791	0.8
217.06387	1.3
218.07256	2.4
219.08043	2.4
220.08826	1.2
221.05981	2.5
221.09560	1.4
222.06789	1.2
223.07477	1.5
224.08212	1.1
225.09103	2.5
227.10579	0.9
231.08142	3.8
232.08600	0.8
233.05986	1.8
233.09616	0.6
234.06767	5.0
235.07597	2.9
236.08218	0.7
237.08983	2.8
238.06325	1.6
239.07092	0.9
241.06386	0.8
241.08574	1.1
242.07324	1.2
243.08063	2.3
243.87355	0.6
245.05922	1.7
245.09613	0.8
246.06689	1.0
247.07515	3.7
248.08319	3.3
249.09114	4.6
250.03644	0.7
250.06085	1.2
251.07082	2.1
252.07854	0.8
253.08543	3.5
257.09622	0.8
258.06741	2.3
259.07523	3.8
260.08316	1.8
261.09113	1.6
262.06186	3.1
263.07007	2.7
263.10605	1.2
264.07742	1.4
265.08502	4.6
266.09320	1.0
267.09985	0.9
268.07117	0.9
269.08005	1.4
271.07529	1.7
273.05527	0.8
273.08823	1.2
274.06271	1.2
275.07098	2.6
275.10162	0.6
276.07535	2.6
277.08511	7.6
278.06323	0.6
278.09363	2.4
279.06686	0.8
279.10239	1.7
281.08163	1.8
283.09683	2.6
284.10388	1.7
285.11383	6.0
286.06158	1.2
287.07047	2.2
288.07846	1.9
289.08600	1.8
290.06061	1.1
290.09271	1.0
291.10193	3.6
292.07227	1.0
293.08176	1.8
294.08829	2.2
295.09845	1.9
297.11179	2.4
299.06677	1.1
301.08377	3.8
303.10156	1.5
304.07382	1.5
305.07889	5.7
306.08972	0.8
307.09406	3.6
308.10669	0.8
309.11331	6.4
310.11975	1.6
311.09409	0.6
313.11078	1.2
314.09271	1.3
316.07526	0.7
317.09363	0.7
318.08957	0.8
319.09583	7.0
320.10538	0.8
321.11362	1.6
322.09787	0.8
323.10587	2.0
324.11081	0.6
330.09033	0.9
331.09564	2.7
332.10464	1.6
333.11313	5.8
334.09747	1.3
335.10349	1.2
337.10739	16.0
345.11584	3.1
350.09204	1.2
350.70966	0.6
351.12537	11.3
361.08551	0.9
362.09210	1.6
363.12546	7.3
365.11905	1.2
366.12488	0.9
367.09296	0.7
367.13324	1.5
369.11221	1.1
374.09442	0.7
377.11664	2.0
378.08774	1.1
379.09540	2.4
380.10336	1.6
384.13583	1.3
391.09906	1.0
393.11334	1.7
394.11890	2.3
395.12823	2.1
396.09509	1.1
405.10968	2.4
406.12024	0.8
407.08875	1.1
409.14307	2.0
411.12277	2.3
412.13046	1.4
421.10193	1.0
422.11298	1.6
423.11893	2.9
424.12802	1.0
425.13782	2.5
427.15518	9.0
435.12427	0.6
437.13895	8.5
440.12512	0.9
443.14981	1.2
449.13943	0.6
454.14157	1.7
455.14868	20.1
456.15353	0.8
457.16486	6.0
459.18158	1.0
467.14856	2.1
469.16479	16.3
475.17603	3.6
481.16327	3.5
487.17487	21.1
499.17618	5.4
505.18750	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1806
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05225	1.3
59.91311	1.3
60.04518	1.6
68.87979	1.3
69.99520	7.1
70.06580	7.9
72.08146	2.3
73.74026	1.3
76.04857	1.3
81.03401	2.3
84.04491	3.8
84.08126	2.9
86.09677	4.8
91.05479	8.8
98.20896	3.0
98.21442	1.9
103.05421	2.0
105.07037	2.7
106.83562	1.3
109.02833	2.2
111.95309	1.4
115.05422	2.7
117.87964	1.4
119.04955	10.3
120.08105	2.1
122.03620	3.0
124.05188	3.2
129.10237	2.7
131.04932	1.5
133.06470	2.3
135.04504	1.5
137.05965	41.9
145.06494	2.0
146.03651	1.8
147.04373	8.2
149.05962	4.3
150.06747	3.1
151.03821	2.1
151.07527	2.1
158.03645	4.0
160.05208	1.9
161.05959	5.6
162.06740	2.4
163.07594	1.8
171.37643	1.5
173.06024	8.0
175.03873	8.8
175.07442	2.2
177.05426	5.0
177.06891	1.7
178.07787	1.8
179.07021	5.0
180.07787	1.5
186.03098	7.4
187.07465	1.7
189.05435	1.7
189.06984	2.7
201.05446	100.0
203.07082	2.2
205.06506	5.9
206.07220	2.9
207.06528	1.8
217.06471	3.6
223.07396	1.7
231.06390	2.1
233.06000	5.1
234.06752	8.0
237.09093	3.8
245.05936	3.2
247.07288	1.6
249.09094	4.5
250.06238	5.2
251.06981	2.4
262.06229	6.5
263.06976	2.6
264.08020	1.9
265.08557	5.5
273.05621	1.9
273.09473	1.5
277.08554	10.5
278.05679	2.3
278.08957	1.6
279.06509	2.0
289.04855	1.5
290.05728	7.6
292.07205	3.1
293.08127	6.2
294.08823	2.2
305.07983	13.5
307.06339	1.5
307.09601	5.0
322.08466	3.2
325.10635	12.6
337.10730	22.2
355.11719	57.3
407.57199	1.5
429.10199	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1807
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82978	0.8
53.03928	1.5
55.01883	1.2
56.05025	1.0
57.03426	1.1
58.06549	0.7
60.04524	1.6
66.93805	0.9
67.06326	0.9
69.03423	0.9
69.98801	3.7
70.06587	7.6
72.08142	1.4
74.19888	0.7
79.05509	1.1
81.03408	3.4
84.04485	2.3
84.08134	4.1
85.02883	2.0
86.09702	3.1
91.05460	9.2
94.04157	1.5
96.13399	0.8
101.07128	1.2
103.05468	2.0
105.07021	2.7
106.06549	1.2
107.04945	1.1
109.02871	1.3
110.07164	3.0
115.05451	2.3
117.03412	1.2
117.06987	1.8
119.04932	10.8
120.08084	1.7
121.06534	1.0
121.44855	1.0
122.03635	3.5
124.05215	2.1
125.05954	1.1
129.10211	3.1
130.04135	1.2
131.04895	2.5
133.06476	1.5
135.04370	1.1
137.05954	44.4
143.04892	1.6
145.02872	1.6
145.06485	2.3
147.04378	11.6
149.05980	3.4
150.06737	2.3
151.03914	3.7
151.07518	2.5
158.03627	3.2
159.04388	0.9
160.05197	1.6
161.05923	4.7
162.06778	2.6
163.07524	1.5
173.05994	9.4
175.03891	9.7
175.07524	1.6
177.05447	3.4
177.06908	1.5
178.07834	1.8
179.07001	3.9
180.07805	2.6
185.06009	1.0
186.03111	6.3
187.07625	1.4
188.04663	1.1
189.05447	2.3
189.07021	2.8
191.08556	1.2
194.07353	2.1
201.05440	100.0
202.05771	1.9
203.07001	2.6
205.06566	5.2
206.07277	4.6
206.82336	0.8
207.06508	2.6
213.05463	2.2
217.06517	1.4
218.07272	1.0
219.06357	1.6
221.05971	1.5
221.09825	0.9
221.69788	0.8
222.06769	3.1
223.07567	1.0
231.06465	5.3
233.06006	4.2
234.06734	9.7
235.07480	2.3
236.04752	1.0
237.09154	3.5
239.07115	0.9
245.05981	2.9
247.07573	1.1
249.05348	1.1
249.09140	4.9
250.06122	4.1
251.07057	3.6
261.05493	1.1
262.06274	8.5
263.06967	2.2
264.07843	1.7
265.08585	7.9
266.09253	2.0
273.05579	2.4
274.06161	1.0
276.07971	1.1
277.05341	1.5
277.08511	10.2
278.05731	1.5
279.06573	2.1
279.10089	1.1
283.09607	0.9
289.05304	1.0
290.05676	8.9
291.10229	1.6
292.07288	3.5
293.08020	6.6
294.08771	2.8
295.09735	1.1
297.11172	1.3
305.07986	15.0
306.08844	1.4
307.09369	6.2
309.11212	2.0
310.08426	1.1
314.12988	0.9
319.09506	1.7
322.08344	2.3
325.10666	14.3
331.11768	1.2
337.10648	20.3
343.11853	1.1
355.11740	45.7
356.11981	0.9
429.90451	0.9
493.17291	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1442
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	8.0
61.02918	3.3
69.03419	4.1
70.06582	18.9
71.75636	3.9
72.08144	8.6
75.09322	2.9
84.04485	2.4
84.08133	6.6
85.02911	4.7
86.09696	11.4
91.05444	4.6
103.05444	3.4
107.04947	5.1
115.01339	3.0
116.53703	2.3
119.04955	11.0
120.08103	3.6
121.02863	43.8
129.10260	4.8
131.04910	5.7
133.06483	3.0
135.04456	3.0
137.06007	15.6
138.54807	2.6
145.02826	8.0
147.04393	6.2
148.24352	2.6
149.05983	6.6
151.07487	3.1
161.05927	6.2
163.03915	2.9
167.07048	12.3
175.07520	3.9
177.05444	8.2
179.03476	2.9
187.03903	4.4
189.01837	7.1
191.03375	4.1
193.04942	3.4
195.02908	8.5
201.05475	9.7
203.03401	20.1
205.04909	5.6
207.02934	9.0
211.03818	2.8
215.03448	9.7
217.04932	6.1
219.02885	5.7
221.04372	9.1
229.04930	3.1
233.04413	7.2
243.02922	4.5
261.04065	2.9
268.07318	4.6
279.06516	5.8
280.07162	3.2
281.08017	4.6
283.05914	5.8
284.10071	2.8
293.08124	7.1
294.05319	13.5
294.08362	3.0
295.05994	69.3
296.06683	8.0
297.07474	7.6
305.08105	5.7
306.08896	3.4
307.06006	58.5
307.09366	4.2
308.06747	17.8
309.07510	25.9
317.08136	6.7
319.06100	3.6
320.06830	9.9
321.07544	47.6
321.11053	4.9
322.08359	7.7
323.09119	7.0
325.07129	48.0
325.10675	6.2
329.08231	6.3
331.05893	2.8
333.07449	32.2
333.10760	3.1
334.08237	4.0
335.05450	4.8
335.09091	23.1
337.07034	50.3
337.10800	4.7
339.08627	6.3
345.07413	17.2
347.09149	10.0
348.06268	4.0
349.06992	43.6
351.08539	25.4
355.08124	5.1
359.09174	5.5
361.06943	28.1
363.08533	26.0
367.08020	13.3
373.06989	23.6
375.08578	17.5
377.10205	4.3
379.08084	78.5
383.31165	2.6
387.08646	7.6
389.10226	4.2
391.08066	57.1
397.09183	46.3
399.08432	4.7
403.08218	12.4
405.04651	3.1
405.09738	9.8
409.09152	70.3
415.08606	10.3
417.09647	6.1
421.09109	8.5
427.10239	49.3
428.10431	3.2
433.09140	23.6
445.10025	21.1
451.10147	34.2
463.10266	28.3
469.11279	63.1
481.11279	100.0
499.12308	70.9
499.17880	1.8
517.13062	21.4
535.13312	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.144
Annotation	LLP3
Peak:m/z	Relative Intensity
55.01868	9.5
61.02919	2.3
65.03938	1.6
67.48920	1.0
69.79275	8.3
70.06580	4.5
72.08133	1.9
81.03399	1.1
81.07074	1.0
81.42984	1.0
84.08118	1.6
86.09685	2.4
87.46262	1.1
91.05473	4.8
97.02882	2.2
98.20633	1.0
107.04923	3.0
107.08572	1.2
111.04401	1.1
119.04945	9.3
121.02853	43.7
121.03732	2.6
131.04893	1.6
135.04399	1.8
135.08081	1.2
137.05902	2.4
142.71133	1.1
145.02776	7.1
147.04376	2.6
147.59531	1.1
149.04642	1.1
149.05978	1.5
151.03937	1.6
159.04465	1.8
163.03816	1.6
171.04382	2.4
175.03905	2.7
176.00996	2.4
177.01820	3.4
179.03276	2.2
187.03909	3.5
189.01801	5.1
189.05421	2.8
191.03413	6.3
192.60974	1.2
193.05075	1.3
195.02895	8.4
197.71812	1.0
199.03926	2.2
201.05537	1.6
203.03351	17.1
203.05087	1.7
205.05031	1.9
207.02866	7.2
209.04428	2.1
213.05502	1.3
215.03314	8.9
217.05008	6.3
219.02853	5.1
221.04390	5.7
227.03372	2.5
229.04892	2.2
231.03085	2.5
233.04381	5.2
241.04959	2.7
243.02838	4.7
245.04420	3.1
253.04825	1.5
255.02777	1.9
261.03937	1.7
266.05865	1.8
267.06421	2.5
268.07297	3.4
271.05911	2.2
273.03891	3.1
279.06430	5.0
280.07227	3.1
281.08032	3.2
283.05981	4.0
284.06659	1.6
291.06345	2.0
292.07336	2.5
293.08060	3.7
294.05197	17.2
294.08496	1.9
295.05994	56.7
296.06689	5.7
297.07513	7.3
299.05679	1.8
304.07394	1.3
305.08011	4.4
306.08792	2.1
307.05994	47.3
307.09515	2.8
308.06714	14.1
309.07492	16.9
313.07117	3.1
317.08002	4.4
319.06006	5.3
320.06635	8.9
321.07513	39.8
322.08316	6.1
323.05612	2.4
323.08890	5.8
325.07016	35.6
329.07971	4.4
333.03583	1.6
333.07538	27.0
334.08350	5.6
335.05469	2.5
335.09067	15.0
336.06406	2.0
337.07043	39.3
339.08618	3.9
343.09958	1.5
345.07574	14.8
346.08310	1.4
347.09299	7.4
349.07037	39.3
349.11215	2.3
350.07602	1.6
351.08655	17.4
355.08188	3.5
359.09241	5.4
361.02820	1.7
361.07007	26.5
361.10602	1.4
362.07843	2.4
363.08560	20.8
367.08163	10.0
371.08902	2.9
373.07126	13.0
375.08640	12.4
377.10382	1.7
379.08078	61.9
380.08502	1.8
385.09106	1.8
387.08588	9.1
389.10022	3.7
391.08093	43.8
392.08304	1.8
393.09637	4.7
397.09164	40.5
399.08475	3.6
403.08044	9.0
405.09692	6.1
407.11060	1.2
409.09164	49.5
415.07880	12.2
417.09787	7.1
421.09137	5.2
427.10263	31.5
433.09186	26.2
445.09283	21.0
451.10132	26.7
463.10254	29.0
469.11279	32.9
470.11801	1.7
481.11255	100.0
482.11826	2.9
499.12308	64.0
500.12515	1.4
511.44968	1.3
517.13275	17.3
544.28540	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.108
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	1.9
55.01873	14.9
55.05491	1.4
57.03423	3.7
61.02922	3.3
65.03939	2.1
67.05498	4.1
69.03414	6.3
70.06587	12.2
71.74799	1.8
71.75176	1.6
72.08141	5.4
79.05495	2.1
81.03403	6.5
81.07081	1.8
83.01330	1.5
84.04520	2.5
84.08133	5.2
85.02905	11.7
86.09697	4.0
91.05469	5.6
93.03415	2.2
93.07052	1.6
95.04943	3.7
97.02874	7.8
103.05462	6.3
105.03332	1.8
105.07018	2.9
107.04937	3.1
107.08557	2.0
109.02878	5.3
110.07169	1.8
111.04420	4.0
112.08703	1.9
114.10251	1.5
115.05410	3.3
117.03376	2.6
117.07007	1.5
119.04942	4.4
119.08588	1.8
120.08091	3.3
121.02869	7.5
122.03703	1.9
127.03931	3.2
128.50264	1.6
129.10204	1.7
129.60686	1.3
130.04948	1.7
131.04938	9.9
133.02905	2.9
133.06493	3.3
135.04404	12.0
136.07642	1.6
137.02328	27.4
137.05962	38.5
143.04919	3.3
143.10735	1.8
145.02834	5.3
147.04408	4.8
149.05948	4.4
151.03899	31.0
151.05037	3.1
159.04408	3.5
161.02342	4.7
161.05971	8.7
163.03917	5.0
163.07553	6.2
167.07074	2.9
173.06026	1.9
175.03926	3.5
175.07567	12.3
176.01006	1.9
177.01848	5.7
177.05484	8.6
179.03418	4.5
179.07082	2.4
181.04933	4.0
183.03032	1.7
187.03896	2.0
189.01852	4.8
189.05397	2.4
190.02440	1.8
191.03375	12.0
191.07053	3.9
193.08568	3.5
194.02084	1.6
195.02870	11.4
201.05452	10.1
203.03392	6.5
203.07014	3.8
205.04886	2.0
207.02870	8.6
209.04466	1.7
217.04942	2.2
219.02914	9.5
219.06401	3.4
221.04498	3.8
221.08046	21.4
225.03954	2.2
227.08046	1.4
229.04968	3.4
231.02811	1.6
231.06657	2.3
233.04343	2.4
251.06992	2.0
257.04446	2.2
259.09637	4.8
265.08484	2.3
267.06686	1.9
279.06451	1.7
280.07416	1.7
283.05948	4.1
284.06699	4.4
293.07986	2.5
295.06012	9.1
296.06741	3.9
297.07550	8.5
299.05453	8.9
300.06277	1.6
307.05981	5.6
307.09302	1.8
308.06860	2.4
309.07663	7.3
310.04724	23.0
310.08078	2.9
311.05475	100.0
312.05994	8.2
313.07080	11.4
321.07614	3.5
323.05508	23.3
323.08984	2.1
324.06213	14.4
325.07056	18.6
325.10547	2.2
329.06531	4.6
333.07654	2.9
335.05487	7.7
335.08917	1.6
337.07144	16.8
337.11026	2.5
338.07758	12.6
339.04855	4.8
339.08707	5.3
341.06503	44.1
343.11713	2.6
345.07434	1.9
349.07074	7.0
351.08710	6.8
353.06552	32.6
353.10562	3.4
354.06693	1.9
355.08011	2.2
355.11844	5.6
361.06976	3.2
363.08609	6.1
365.06516	10.4
367.04285	2.3
367.08160	23.8
373.05649	4.9
373.12860	15.1
376.05917	1.6
377.06470	12.5
379.08127	8.3
381.09598	6.3
385.05521	79.0
386.06104	2.2
389.06595	3.0
391.08151	7.5
393.06058	1.9
395.07642	9.9
397.05112	10.2
397.09805	2.5
407.07547	10.6
409.09058	4.0
415.06561	74.0
416.07056	2.9
419.07498	9.0
423.28787	1.5
425.08731	3.7
427.10156	1.8
433.09418	1.8
437.08530	4.2
439.06540	71.1
440.06760	2.7
451.06494	5.3
453.08401	3.3
463.06207	10.8
469.07477	36.6
481.07214	29.4
499.08377	33.4
517.09491	14.0
535.11078	1.8
535.17902	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	534.4879
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.1
55.05508	7.5
56.05042	4.8
57.07076	3.1
58.06588	0.8
60.04517	3.5
63.94730	0.5
65.03916	1.5
67.05498	13.8
68.05012	1.4
69.07066	7.9
69.49634	6.0
70.06568	2.0
71.08612	2.1
79.05483	11.9
80.05010	3.1
81.05799	1.6
81.07053	12.1
82.06576	9.9
83.08619	4.8
85.10167	1.0
89.61510	0.7
91.05470	8.4
93.07043	9.6
94.05965	1.1
94.06561	20.1
95.04958	2.0
95.07349	9.4
95.08601	8.7
96.08118	4.3
96.67414	0.6
97.10159	2.6
98.21457	1.1
105.07021	7.0
107.08582	6.7
108.08083	3.6
109.10145	2.3
110.09679	0.9
111.11708	0.9
119.08555	5.6
121.08812	0.9
121.10142	6.4
122.09646	2.8
123.11694	1.2
133.10097	3.6
133.39185	0.6
135.10535	0.7
135.11681	3.5
136.11183	0.9
137.13223	0.8
147.11667	1.1
149.13220	1.4
159.75508	0.7
161.13216	1.2
168.35304	0.7
180.39905	0.6
230.63245	0.7
233.22655	5.3
245.22643	4.0
250.25261	10.4
254.24667	0.9
260.23651	0.8
262.25284	100.0
263.25754	0.9
272.25824	5.8
280.26324	9.3
345.63962	0.6
501.85822	0.7
504.47495	2.5
516.47736	7.9
534.34753	0.7
534.49011	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	534.4877
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66393	0.4
53.03925	1.5
55.01849	0.5
55.05506	9.2
56.04760	0.5
56.05034	5.5
57.07075	3.6
58.02943	0.5
58.06591	1.0
60.04520	3.8
65.03925	1.4
67.04232	0.8
67.05141	0.9
67.05496	17.2
68.05012	1.2
69.07063	9.7
70.06570	1.8
71.08620	1.4
71.44964	0.7
79.05486	12.4
80.05013	4.9
81.03416	0.5
81.05783	2.4
81.07048	14.2
82.06574	8.8
83.04975	0.5
83.08611	5.4
85.10168	0.8
91.04928	0.7
91.05475	12.3
93.05773	0.9
93.07036	11.2
94.06557	23.1
95.04948	2.4
95.07338	11.7
95.08597	11.1
96.08117	6.0
97.06501	0.5
97.10145	3.1
98.06038	1.0
100.07604	0.4
105.07020	7.6
106.06538	0.9
106.07334	0.4
107.07331	0.9
107.08581	6.3
108.08132	4.3
109.10146	4.1
110.09644	0.5
111.11721	1.1
119.08578	6.3
120.08028	0.6
121.08848	0.6
121.10138	5.9
122.09660	3.4
123.11676	1.2
133.10112	4.2
135.10556	0.6
135.11661	2.9
136.11212	1.1
137.13222	0.5
145.46625	0.4
147.11710	1.4
149.13268	1.1
151.14828	0.8
161.13239	0.7
233.22591	5.7
234.22188	0.6
237.22128	0.4
245.22670	3.9
250.25291	9.5
254.24704	0.8
260.23428	0.5
262.25281	100.0
263.23392	0.5
263.25766	0.9
272.25800	5.6
280.26303	10.3
327.88327	0.5
500.07962	0.4
504.47733	2.3
516.47699	8.0
520.98169	0.4
534.48901	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	534.3635
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33981	1.8
53.03926	5.1
55.05510	20.7
57.03424	4.2
57.07067	9.7
60.84475	2.2
65.03934	2.9
65.59513	1.9
67.05497	96.3
69.03421	15.5
69.07066	24.0
70.82005	5.6
71.04985	4.8
71.08607	7.2
73.02873	4.1
78.76159	1.9
79.05482	30.2
81.03408	17.8
81.07045	100.0
83.04966	5.2
83.08613	16.5
84.37542	2.0
85.02897	15.6
85.06511	3.4
85.10175	3.0
87.04453	4.1
89.06025	10.5
91.05476	21.9
93.07030	32.8
94.63699	2.1
95.04955	6.2
95.08592	85.7
95.09198	4.7
96.08881	2.4
97.02876	7.7
97.06525	6.0
97.10153	11.5
98.20796	2.1
99.04434	5.9
99.08080	3.7
104.10685	3.3
105.07013	21.5
107.04958	2.8
107.08572	18.8
108.56112	2.1
109.02914	2.8
109.10141	34.5
111.04400	5.0
111.11678	2.6
113.09621	2.2
114.61446	2.0
117.07030	2.7
119.08546	15.6
121.10136	18.6
122.88216	2.0
123.11680	15.5
124.07574	12.0
125.09634	3.3
127.03914	6.1
127.11160	2.0
129.05412	2.9
129.06975	3.9
131.07672	2.2
131.08470	11.3
133.08575	6.5
133.10100	16.5
135.11668	11.2
137.06001	2.3
137.09569	3.2
137.13243	7.4
143.08536	2.8
145.04924	3.6
145.10086	4.7
147.11723	10.5
149.13213	8.3
151.11227	2.9
151.14813	5.8
159.11642	3.2
161.09570	3.1
161.13210	12.3
163.14815	7.7
165.12746	2.7
165.16385	4.6
168.15353	1.9
173.13162	2.8
175.14771	12.1
179.14221	2.1
179.17938	4.7
187.14737	2.6
189.16353	6.3
195.13728	2.9
203.14275	2.4
227.20015	33.3
228.20404	5.1
235.13089	2.6
243.21074	2.5
244.49225	2.2
245.22656	27.1
261.22052	4.7
263.23669	37.7
273.46423	2.2
277.14246	3.6
279.23431	3.2
291.23111	3.2
303.23151	4.6
305.24606	3.6
313.27399	3.0
314.26624	2.1
317.24615	7.6
321.24368	3.9
329.24823	2.8
333.24042	2.8
334.37183	2.4
337.27347	12.5
343.26422	5.5
353.24716	5.9
371.25720	23.3
389.26740	21.1
407.27887	19.9
425.28949	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	534.3636
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58170	1.6
51.43983	1.6
55.05501	9.1
57.03434	4.5
57.07053	3.9
60.08154	12.0
64.73224	1.8
67.05499	37.4
68.52843	1.8
69.03410	1.7
69.07055	13.2
69.48149	5.4
69.48580	11.8
71.07359	6.9
71.08625	4.1
79.05486	10.4
81.07050	42.7
81.92123	1.7
83.08602	8.9
85.02897	2.3
86.09701	51.6
87.09735	2.0
89.81626	1.8
91.05453	9.9
93.07047	9.4
95.08603	36.3
97.06511	2.8
97.10177	4.2
98.98441	3.6
104.10735	100.0
105.07034	4.2
107.08586	5.5
109.10128	15.8
119.08578	6.0
121.10120	9.6
123.11684	7.8
124.99994	23.2
133.10097	6.0
135.11642	5.2
137.13313	2.7
147.11655	3.6
149.13249	2.9
151.14783	3.8
151.41225	1.9
156.17032	1.8
161.13234	7.3
163.14793	3.6
165.16339	2.4
175.14864	5.9
179.17932	2.2
184.07333	73.9
245.22615	22.5
263.23679	31.3
337.27393	19.6
375.30511	1.8
475.21918	11.3
492.89984	2.0
516.34369	6.0
534.35840	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	534.295
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05028	1.8
57.49622	1.3
60.08146	4.7
60.74436	1.2
67.05486	1.4
69.07072	1.3
71.07357	3.3
71.76078	1.7
75.10383	1.2
81.07032	2.6
86.09696	24.5
87.30376	1.2
100.11174	1.4
104.10734	100.0
109.10056	1.3
246.69446	1.1
263.23593	1.5
285.10165	1.1
287.84506	1.2
288.61118	1.1
302.36844	1.0
341.12766	1.2
383.12543	1.1
475.22195	22.6
534.29309	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	534.2114
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09519	0.6
55.01850	1.1
56.05020	1.1
57.07068	0.7
61.01138	3.5
61.02929	1.0
67.05485	1.3
68.05013	1.5
69.03409	1.5
69.07052	0.9
69.82605	2.3
69.83029	2.4
70.02953	0.9
70.06580	4.3
72.04509	4.6
73.02923	1.3
74.11049	0.6
74.36390	0.6
75.07932	0.7
77.95010	0.6
78.03782	9.1
79.05470	0.9
80.04999	3.3
81.03403	1.0
84.08125	1.8
85.02887	3.2
85.06535	0.9
86.06068	1.9
88.02201	2.9
94.02917	88.4
95.04948	1.3
96.28056	0.6
98.02415	1.7
98.20786	1.4
99.05556	5.3
102.03754	14.5
113.06028	1.4
114.03728	4.8
115.05032	1.0
116.03456	0.9
116.07073	0.7
118.06854	1.0
120.04740	1.2
123.04656	1.3
123.05537	15.0
124.07520	1.3
129.10168	0.8
131.06345	8.9
132.04768	10.4
134.47530	0.7
137.09578	0.7
141.06546	1.9
142.08632	6.4
149.07423	55.3
154.03186	5.0
158.02657	1.2
159.05843	3.3
165.06580	44.7
171.05919	1.5
175.05353	8.8
181.04251	1.0
184.09645	2.4
185.35361	0.6
192.07605	1.0
242.09552	100.0
243.11772	1.0
252.07988	0.9
261.12613	13.4
354.14792	37.6
498.27548	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.0981
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.5
57.03427	1.9
61.02916	2.4
69.03414	6.0
70.10337	6.2
70.10722	1.1
73.02885	3.1
76.96678	1.0
85.02895	9.9
97.02880	2.9
98.97571	5.5
110.97548	1.5
112.89574	2.0
114.89283	1.0
116.98582	3.3
119.01791	1.1
127.03900	3.1
128.98560	2.7
144.16020	1.3
158.99660	4.5
167.70235	1.0
168.98221	1.1
170.99625	1.6
174.01283	1.7
177.00710	4.3
182.03452	1.4
184.04396	2.0
189.00700	3.9
191.03929	10.9
191.54010	2.6
191.98219	100.0
192.02397	10.5
192.04221	3.8
192.98573	1.1
200.04404	5.6
200.54546	3.2
201.00699	4.6
203.05371	1.5
210.02278	2.3
219.01761	5.4
220.02028	2.1
237.02849	1.6
243.01779	1.2
251.04842	2.2
251.99419	6.1
252.03183	3.1
252.05170	3.3
261.02817	3.5
264.05161	1.7
270.00482	3.3
272.06580	3.6
272.56509	2.3
279.03842	3.0
281.07062	12.2
281.57175	13.4
282.00473	1.2
282.07327	4.2
312.01532	2.1
362.09338	1.5
362.59952	3.2
365.10342	3.7
381.07669	1.8
471.10220	1.4
554.08264	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.3221
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.0
55.01851	1.0
55.05501	2.8
55.34130	0.7
56.05058	0.8
57.03420	1.4
61.02898	1.3
67.05487	3.3
69.03423	1.9
69.07065	1.7
70.00567	4.5
70.06581	2.8
71.04971	1.2
72.08141	1.6
79.05487	2.4
81.03400	2.2
81.07033	3.9
83.04954	1.3
83.08598	0.9
84.04496	8.6
84.08138	2.3
85.02892	18.9
86.06054	1.7
87.04470	1.9
91.05483	3.0
93.07057	2.6
95.01331	1.2
95.04980	1.6
95.08593	2.4
97.10182	0.8
102.05530	7.2
105.07037	3.0
107.07334	2.4
107.08596	2.0
109.02885	0.7
109.10151	1.8
112.04003	1.3
113.02377	1.4
117.05783	1.1
117.06991	0.8
118.06515	6.2
119.05009	0.6
119.08581	1.3
120.08095	2.1
121.06522	0.9
121.10134	1.0
123.08036	0.8
125.09625	1.2
127.03925	1.2
128.06189	0.9
130.04988	44.3
130.06390	3.3
131.07324	3.2
131.08549	1.8
132.08073	5.0
133.08899	1.3
133.10191	1.1
134.09651	0.8
135.08041	1.5
135.11697	1.4
136.07542	0.8
137.05951	1.2
144.08080	1.7
145.10126	1.2
146.09608	6.5
147.11742	0.8
148.07553	3.4
149.07974	1.7
149.09618	0.9
150.09126	0.7
156.07996	1.1
157.10149	1.0
158.09695	1.9
158.72728	0.7
159.11731	0.9
166.08630	1.2
167.07057	1.3
171.11769	1.0
172.11211	1.8
184.05138	0.7
188.14392	0.9
202.15857	0.9
211.70691	0.8
228.17455	2.2
243.59647	0.7
256.16968	3.4
260.16461	2.4
261.16791	2.1
274.17886	1.0
312.23044	0.7
312.26764	1.0
324.26773	4.3
340.26279	8.6
358.27417	2.9
368.25803	36.8
369.25623	0.8
370.21967	1.2
371.22528	3.8
386.26852	62.2
387.27222	2.5
404.27921	59.7
405.28372	2.0
430.29343	1.0
482.75027	0.8
497.25839	2.2
498.28705	1.9
515.31641	3.6
516.29498	7.2
533.32202	100.0
534.32880	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	533.285
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44740	0.9
55.05504	10.5
57.03419	2.8
57.07069	4.7
67.05507	8.2
69.07063	14.3
71.08611	2.2
79.05482	3.5
81.06677	0.9
81.07055	9.7
83.08606	9.2
91.05473	1.3
93.07050	4.4
95.08597	8.5
97.10152	5.7
98.21491	1.8
103.42022	0.8
105.06963	1.1
107.08573	2.8
109.10146	3.0
111.11723	1.0
115.03669	2.1
120.96568	1.3
121.10098	3.6
135.11678	2.2
136.06201	1.3
145.02798	1.0
149.13216	1.0
161.64247	1.1
176.99240	23.0
177.05450	3.5
195.00296	57.4
213.00119	1.6
218.01894	1.4
222.21107	0.9
269.04016	5.0
274.29840	1.0
339.28976	21.7
379.27972	5.2
441.23734	10.1
459.24585	2.6
515.27429	9.0
533.28345	100.0
533.34778	5.7
534.28534	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2015
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32407	0.8
51.02369	0.9
53.03925	2.2
55.01857	3.2
55.05508	1.6
55.15730	0.9
57.03414	1.6
61.02925	2.3
61.47418	0.9
65.23593	0.8
67.05478	2.1
69.03423	8.4
69.07053	1.5
69.44247	4.2
69.44672	5.7
70.06570	2.8
71.04962	1.6
72.08136	1.9
73.02900	1.0
78.04688	2.6
79.05486	10.8
81.03416	5.3
81.07043	3.1
83.04987	1.0
84.08124	1.6
85.02894	12.5
86.09704	1.0
87.04482	1.4
90.56084	0.8
91.03927	1.6
91.05471	4.4
93.07018	1.8
95.04956	3.2
95.08593	2.9
97.02876	5.7
97.10190	1.0
99.04414	1.7
102.04705	0.8
103.05459	3.9
105.03366	1.1
105.07012	8.1
106.04154	1.5
107.04947	19.6
107.08559	2.4
109.02853	3.1
109.06475	1.6
109.10160	1.8
111.04436	1.0
111.08097	1.2
114.45615	0.8
115.05456	4.8
117.06987	2.1
118.04171	1.1
119.04929	1.2
119.08573	6.2
120.08080	1.1
121.02842	1.6
121.06498	1.2
121.10126	3.0
123.04420	5.8
124.05216	4.3
124.67805	1.0
125.06006	2.2
127.03895	3.2
128.06223	3.8
129.07022	4.9
130.04063	1.0
131.04932	7.5
131.08586	1.0
132.05710	4.2
133.06488	5.3
133.10132	1.7
135.04378	1.1
135.08040	1.2
137.05981	4.2
137.09621	1.7
139.11206	1.0
141.06979	2.2
142.03145	0.8
143.04927	1.7
145.04967	1.2
145.06480	1.5
145.10083	1.2
147.04391	1.2
147.08032	5.5
149.06006	1.3
149.09564	1.5
151.03917	1.4
152.04704	2.8
153.05415	1.9
156.05685	1.7
159.07993	5.5
160.05196	2.3
161.05983	9.9
163.07587	2.0
165.08911	1.2
167.07024	100.0
168.05777	1.1
169.06509	2.2
170.76276	1.0
171.07973	1.7
173.05914	1.4
175.07530	40.7
176.04695	1.4
177.05544	1.1
177.09137	0.9
178.07729	1.1
184.05226	1.7
185.05956	1.0
187.07520	16.3
189.07018	1.3
189.09108	2.7
190.07739	2.0
191.07037	10.2
191.08562	1.3
193.08569	14.5
193.10190	1.2
195.02972	0.9
199.07538	14.1
201.05431	5.1
201.09116	3.5
202.07733	1.8
203.03357	1.7
203.08545	3.8
206.07292	1.3
207.07997	1.3
215.08568	3.2
217.08510	1.2
218.07254	4.4
219.08049	2.0
221.09563	2.5
231.08014	3.0
232.08810	2.4
233.09563	5.3
234.06744	2.5
235.07497	2.8
235.11218	1.2
237.09019	1.0
243.08014	1.7
246.06754	2.9
247.07571	3.3
248.08250	1.8
249.09077	3.8
250.09979	1.7
255.06419	1.1
259.07620	2.3
260.08307	3.3
261.09109	7.3
262.06290	0.9
262.09503	0.8
263.07037	2.6
265.08670	1.0
265.12259	1.3
274.06076	1.8
275.07016	2.3
276.07675	1.5
277.08536	3.0
278.09323	3.4
279.06686	1.5
279.10233	1.0
281.08563	0.8
281.11749	6.1
289.08502	6.3
290.09470	1.7
291.06619	1.3
291.10043	2.2
292.10999	1.0
293.08716	2.0
293.11752	3.5
294.08884	1.8
295.05896	3.4
295.09485	1.9
296.06354	1.0
299.05600	1.1
303.10043	1.7
305.08328	1.3
306.08887	3.4
307.06213	1.6
307.09641	2.5
309.07425	1.8
309.11148	6.2
317.21210	1.7
321.07486	2.1
321.11188	15.2
322.08060	1.0
322.11795	2.9
323.08728	2.5
325.07013	1.8
325.14240	1.8
326.11401	2.9
327.07895	1.2
335.08994	1.7
338.11237	1.5
341.13800	18.5
349.06940	1.0
353.09689	1.2
353.13763	24.1
355.15390	2.1
363.08420	0.9
365.09714	1.4
381.08469	1.7
391.07690	1.1
393.09216	1.3
395.10538	1.1
411.09927	2.5
429.10696	1.3
449.11417	1.1
461.12027	1.4
467.12399	2.9
479.12463	1.7
485.13467	2.6
497.13806	4.1
515.14539	1.7
533.15326	0.9
533.22101	1.5
533.29584	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	533.2011
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	2.0
55.01854	2.0
55.05502	1.0
57.03429	2.0
61.02904	1.9
65.99107	0.9
67.05483	0.8
69.03428	8.2
70.06577	4.7
70.94089	2.5
71.04997	1.1
72.08131	1.2
73.96101	1.1
75.63403	0.8
78.04684	3.3
79.05489	9.4
81.03386	2.4
81.07034	1.0
84.08145	1.4
85.02895	11.9
86.09683	2.2
87.30032	0.9
91.05488	4.6
95.04937	2.4
97.02869	4.1
100.11182	0.9
103.05415	4.1
105.03385	2.5
105.07024	8.1
106.04150	2.1
107.04937	15.6
109.02854	2.7
110.07145	1.1
115.05460	5.1
117.07003	1.7
118.04183	1.5
119.04958	1.8
119.08556	2.8
120.08089	1.7
121.06467	1.3
122.03625	1.5
123.04400	5.6
124.05183	4.9
125.05972	1.5
127.03921	2.4
128.06204	2.5
129.06975	5.7
131.04900	5.3
132.05685	3.5
133.06496	6.1
135.04372	1.1
137.05956	5.9
139.80884	0.8
141.06926	1.8
144.05675	1.4
145.06514	1.6
147.04387	2.8
147.08035	4.5
149.05989	1.3
151.03853	2.1
152.04642	3.6
153.05478	2.1
156.05762	1.2
159.08055	4.0
160.05168	3.0
161.05956	10.7
163.07532	2.5
165.06956	1.5
167.07025	100.0
171.08054	2.0
172.05162	1.0
175.07530	40.7
176.04654	1.3
177.05386	1.2
179.07027	1.6
181.06393	1.0
184.05209	1.3
187.07523	16.5
189.07059	2.0
189.08998	1.8
190.07651	1.9
191.07016	10.3
191.08513	1.6
193.08586	20.0
195.07959	1.0
199.07541	12.5
201.05473	1.4
201.09091	3.2
202.07703	1.9
203.08557	3.1
205.06450	1.2
206.07248	2.1
209.08011	1.1
215.08537	2.6
217.08527	1.2
218.07295	5.7
219.07991	3.5
220.08714	1.6
221.09552	1.7
229.06503	1.4
231.08064	3.6
232.08708	2.7
233.09581	6.2
234.06676	1.3
235.07425	2.8
237.08823	1.3
243.08025	2.0
245.09526	1.1
246.06755	2.6
247.07550	3.5
248.08192	1.1
249.08987	3.6
250.06299	1.1
250.09744	1.8
251.06998	1.9
257.05984	1.7
259.07495	1.7
260.08264	3.0
261.09042	8.9
263.06985	3.2
263.10556	1.5
264.07669	1.1
265.08459	1.6
271.07388	1.1
274.06259	1.8
275.06888	2.2
275.10641	1.1
276.07660	1.0
277.08478	5.1
278.05823	1.8
278.09338	4.0
279.06400	3.8
279.09705	1.1
281.08643	1.0
281.11697	5.0
283.09665	1.3
289.08539	7.7
290.09283	3.9
291.06470	5.0
291.10135	2.9
292.07242	1.4
293.08255	1.7
293.11694	4.7
294.08646	0.8
295.09525	1.8
303.06586	1.0
303.10123	1.5
305.08051	3.1
306.08896	4.4
307.09579	3.5
309.07831	1.6
309.11169	7.6
311.12878	1.0
313.13629	1.3
319.09521	1.8
320.09979	1.3
321.07617	2.9
321.11157	16.9
322.11865	3.6
323.08987	2.4
323.12646	1.3
325.14203	1.8
326.11307	1.1
333.07486	1.1
335.12759	1.8
338.11359	1.9
340.12796	1.0
341.13794	15.6
351.12347	1.6
353.13821	35.6
355.15274	2.6
359.09079	1.7
363.08533	1.9
371.08990	1.7
373.06268	1.2
375.08533	1.1
389.09976	1.8
411.10785	1.3
435.10886	1.6
443.11346	1.4
453.11938	1.3
461.12503	1.4
479.13507	5.0
497.14233	2.0
533.21143	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1654
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66560	1.3
53.03933	2.8
53.47901	1.2
55.01868	5.2
55.05491	2.2
56.21645	1.3
57.03431	2.1
58.92490	1.2
59.04992	3.7
60.95465	1.2
61.02912	6.1
67.05497	6.6
69.03423	36.8
69.07051	2.4
70.06582	4.0
71.04971	1.5
71.05909	1.1
72.08118	2.6
73.02921	2.3
76.78073	1.2
78.04704	3.3
79.05474	9.9
81.03402	5.5
81.07052	5.7
83.05003	1.9
85.02910	15.5
86.09721	2.3
91.05472	6.4
93.07028	5.2
95.04945	6.2
95.08618	2.9
95.87878	1.2
97.02879	6.7
97.10166	2.0
98.20573	2.3
99.04451	2.3
103.03949	2.6
103.05463	5.2
104.06208	1.6
105.03384	16.8
105.07026	11.0
105.19493	1.2
107.04939	19.5
107.08591	3.1
109.02867	4.7
109.06544	2.0
109.10155	4.2
115.05437	4.7
115.47784	1.2
117.07033	3.2
119.04951	2.6
119.08560	6.2
119.09345	1.6
120.08116	1.7
121.06449	3.7
121.10143	2.7
123.04415	7.2
123.08030	1.5
124.05222	4.1
125.02306	3.4
127.03922	4.1
128.06201	2.9
129.03363	3.9
129.07004	7.1
131.04942	6.4
131.08574	3.5
132.05678	1.4
133.06474	7.7
133.08568	1.2
133.10130	2.1
135.08032	1.8
137.05949	4.3
137.09583	3.1
141.05452	1.5
141.07013	2.2
143.04915	1.3
144.05742	2.1
145.04953	2.8
145.06432	1.7
145.10129	2.2
147.04401	4.1
147.08034	5.6
149.05981	1.6
149.09587	1.6
151.03885	2.2
152.04587	1.8
153.05428	4.3
156.05699	2.4
157.06479	1.8
159.08031	5.6
160.05154	2.9
161.05995	11.0
163.07597	1.9
167.07030	100.0
169.06528	1.7
175.07526	38.7
177.01785	1.7
181.08556	2.2
187.07515	20.0
189.01822	5.1
189.07008	1.4
189.09004	2.0
190.07816	2.3
191.03354	3.7
191.07033	12.3
193.08571	16.5
195.02991	1.5
199.07527	11.5
201.05362	2.0
201.09094	4.1
203.03423	5.3
203.08591	4.6
205.04887	1.7
206.07353	2.4
207.02896	4.2
207.08112	1.9
215.03474	2.4
215.08557	3.5
217.04828	1.5
217.08464	1.9
218.07326	4.3
219.08128	2.8
221.04373	2.2
221.09570	2.5
223.07617	1.9
229.04803	2.3
231.08112	2.9
232.08789	1.6
233.09702	6.9
235.07542	3.5
241.04875	1.8
243.08113	2.9
246.06654	3.3
247.07613	3.2
249.08997	4.6
250.09706	1.7
251.07019	3.3
252.07901	2.9
259.07596	1.8
260.08429	3.1
261.09174	8.0
263.07022	4.8
264.07745	2.2
265.08456	3.8
267.06546	2.7
274.06195	2.9
275.07022	3.5
276.07657	2.2
277.08618	4.4
278.05734	15.6
278.09207	4.1
279.06534	25.8
279.09802	3.3
280.07233	3.6
281.08215	3.4
281.11716	5.7
285.17041	7.2
289.08633	12.2
290.09338	3.0
291.06546	34.1
291.10059	4.6
292.07263	9.2
292.10449	2.2
293.08087	9.9
293.11679	3.5
295.05923	1.5
295.09720	1.7
297.07632	1.7
299.20111	1.7
301.08502	1.9
303.06522	8.3
303.09616	1.8
304.07266	3.0
305.08090	22.1
306.08575	6.8
307.06351	1.7
307.09500	7.2
309.07565	18.1
309.11234	6.5
310.11765	2.2
315.10098	2.1
317.08044	10.4
318.08868	3.5
319.09775	7.5
320.06757	1.9
321.07513	30.5
321.11230	16.7
322.11801	3.6
323.09125	3.2
325.14294	2.5
327.10214	4.1
329.07803	2.8
331.09415	6.8
333.07526	15.5
335.09070	10.8
338.11145	1.7
339.05063	2.7
339.08768	4.0
341.13779	15.0
343.09537	8.3
345.07526	7.3
345.11212	1.8
347.08911	9.1
351.08560	3.1
353.13806	31.4
355.15271	3.0
359.09134	12.4
360.09616	2.0
361.10669	6.1
363.08582	25.0
365.10132	3.1
371.09152	16.6
373.10565	3.0
375.08548	12.7
377.10220	5.0
381.09763	5.1
385.10666	3.9
387.08072	2.3
389.10147	19.5
393.09695	14.8
395.11105	1.6
397.10855	1.8
401.09988	3.7
407.11270	17.6
411.10690	15.3
413.10052	5.2
415.11639	3.7
417.09534	7.4
419.11105	4.0
425.12146	7.5
429.11670	8.6
431.11380	6.4
435.10757	14.5
443.11325	15.0
449.12326	1.5
453.11743	16.1
461.12277	17.7
479.13348	59.2
480.13525	1.5
496.79849	1.5
497.14404	31.4
515.15259	5.0
533.29120	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	533.1651
Annotation	2''-O-(2'''-Methylbutyryl)orientin
Peak:m/z	Relative Intensity
50.28715	1.6
52.49630	1.8
53.03938	3.1
55.01858	9.0
55.05503	9.2
59.04986	2.9
61.02908	4.8
67.05501	9.7
68.99796	2.4
69.03420	34.2
69.07056	11.5
69.53338	1.7
70.06576	5.4
70.41273	7.9
71.04993	2.7
72.08128	2.6
79.05481	7.6
81.03419	8.6
81.07046	15.3
83.04945	4.6
84.04478	2.3
84.08136	4.8
85.02891	4.9
85.06546	2.9
85.69376	1.7
86.09684	4.6
87.04465	3.7
91.05472	6.2
93.07039	11.0
95.04948	9.5
95.08583	13.1
97.02876	4.5
97.06500	3.6
97.10127	10.0
99.04409	2.4
103.05418	3.7
105.03367	37.6
105.06984	9.4
107.04932	4.2
107.08581	14.9
109.02861	6.5
109.06503	3.7
109.10113	15.7
111.11707	4.5
117.07042	3.1
119.08581	9.6
121.06486	3.6
121.10132	7.6
121.49945	1.9
123.08070	3.1
123.11646	4.4
128.01601	1.9
129.03339	5.5
131.04913	2.2
131.08516	4.0
133.10118	7.5
135.08035	3.7
135.11641	4.4
137.05986	2.9
137.09596	7.3
139.11179	7.5
145.10115	3.0
147.04398	2.5
147.11621	4.5
149.09613	5.3
151.07594	2.1
151.11162	7.1
157.12199	7.1
159.11691	4.9
161.05951	2.8
161.09650	6.4
163.03925	2.4
163.11284	2.6
165.09062	3.2
167.07050	7.2
171.11565	2.2
173.13254	2.8
175.03838	2.8
175.07471	3.6
177.09013	3.1
179.10658	2.8
187.03838	2.5
187.07570	3.5
189.01787	3.3
189.05511	2.3
191.03362	7.3
191.10672	2.4
193.08540	2.1
195.02847	10.5
199.03967	1.8
203.03389	15.5
205.05101	2.2
207.02867	6.7
215.03413	6.5
217.05017	5.8
219.02988	3.8
221.04417	4.7
227.03291	2.1
229.04874	3.0
231.02820	4.4
232.94798	2.0
233.04329	3.2
243.02855	2.8
245.04411	3.2
251.07079	4.0
252.07797	4.2
261.09073	2.7
261.60107	1.9
263.06979	8.2
264.07877	2.6
265.08594	8.2
267.06433	4.7
268.07404	2.8
271.20547	3.4
275.07010	5.0
275.20023	2.5
276.07834	6.0
277.08591	7.3
278.05707	21.0
278.08795	3.2
279.06497	67.1
279.09723	4.3
280.07190	8.8
281.07968	10.8
289.08572	4.6
289.21634	5.8
290.09439	3.1
291.06491	51.7
291.09973	5.2
292.07257	25.2
293.07980	23.0
295.09286	2.7
297.07782	3.8
299.20038	6.5
301.08749	5.0
303.06464	9.1
304.07184	11.8
305.04529	3.2
305.08026	64.4
306.08670	9.3
307.06216	3.1
307.09656	11.0
307.22656	3.3
309.04315	2.8
309.07532	80.1
313.08514	7.4
315.06653	3.3
315.10254	3.0
317.08099	24.6
317.21158	12.3
318.08783	8.0
319.06006	4.4
319.09503	25.1
320.06833	4.3
321.07535	56.8
323.09045	5.3
329.08130	23.0
329.15863	3.1
330.08923	2.4
331.06079	3.4
331.09619	10.6
333.07526	45.1
333.11325	3.8
335.05511	2.1
335.09073	35.8
335.22177	5.4
339.08475	10.5
343.09720	5.6
345.07596	22.3
345.11533	3.0
347.09091	31.4
351.08575	8.4
353.13861	2.8
357.07513	18.6
359.09128	20.5
361.10361	2.8
363.08609	60.4
371.09198	4.3
373.10800	3.1
375.03827	3.5
375.08585	66.9
376.08594	2.0
377.10159	33.2
385.10709	4.5
387.08466	8.1
389.10266	10.8
393.09634	100.0
394.10126	2.6
395.11221	45.7
397.10547	7.1
399.08685	6.0
401.10556	2.1
403.11948	4.1
405.09818	3.1
407.11288	7.1
411.10693	67.2
413.12070	2.9
415.11719	4.1
417.09488	13.6
425.12515	10.9
431.11246	18.6
443.11316	22.5
449.12271	51.1
461.12292	28.2
467.13351	37.3
479.13330	86.5
479.26486	2.8
480.13730	2.3
497.14426	38.3
497.26877	5.3
515.15021	9.3
533.16260	4.6
533.29376	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	533.1293
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.0
55.01868	3.2
55.05497	2.1
57.03414	1.9
59.04979	1.7
61.02910	3.1
65.03941	1.4
67.05487	3.8
68.86739	1.1
69.03419	9.1
69.07061	3.7
70.06588	7.3
71.04979	1.7
71.73576	1.5
72.08134	3.6
73.02894	1.9
78.04701	2.1
79.05485	5.9
81.03407	5.2
81.07049	5.8
83.04917	1.4
83.50866	1.5
84.04480	1.2
84.08134	2.2
85.02907	7.8
85.06538	1.6
86.09686	1.9
87.04457	2.3
89.06030	1.4
90.40171	1.3
91.03960	1.9
91.05470	6.1
93.07016	3.8
94.06523	1.3
95.04969	3.4
95.08605	3.9
97.02885	4.2
97.10146	3.5
99.04408	1.5
101.06001	4.0
103.05458	2.3
105.03380	5.6
105.07038	5.7
107.04948	4.4
107.08575	4.1
109.02843	3.6
109.06511	1.4
109.10134	5.2
110.09692	1.2
111.04379	1.2
114.10263	3.6
119.04936	8.7
119.08578	3.4
121.02856	24.9
121.03667	2.3
121.06470	2.2
121.10124	3.3
123.00787	3.3
123.04460	2.5
123.11687	1.7
127.03888	1.8
128.06284	1.2
129.07002	2.2
131.04848	2.4
131.08598	1.4
133.02821	7.1
133.06467	1.6
133.10136	3.9
135.00777	1.4
135.04381	1.6
135.07997	1.5
137.05946	4.4
139.11205	2.5
145.02852	2.2
145.10103	2.7
146.03581	1.4
147.08072	2.0
149.09689	1.9
151.03893	3.7
151.11172	1.7
153.05455	1.6
157.10109	1.3
161.02313	2.2
161.05995	3.0
163.03871	2.1
163.11195	2.3
167.07025	23.5
167.08369	2.3
169.06554	1.2
171.11668	1.4
175.07504	9.5
175.11267	1.4
177.08896	1.2
179.03423	2.8
179.04829	1.4
183.66449	1.2
187.07526	3.8
189.01807	4.3
191.03461	2.3
191.06976	1.9
191.10840	1.4
193.08569	3.6
199.07475	2.5
201.01784	1.3
205.01378	2.2
207.02875	3.6
209.00774	17.8
215.08588	1.5
217.01337	2.7
217.08568	1.3
218.07362	1.4
219.02873	1.4
221.00810	5.3
223.02347	5.7
223.07448	1.3
227.01813	4.5
229.01328	3.1
231.02846	3.4
233.09618	1.5
235.02359	17.5
237.03850	1.9
239.01799	3.1
247.02371	15.2
251.06920	1.6
263.06973	3.0
265.08710	1.3
267.06592	1.3
268.07361	1.4
271.01151	1.2
275.01904	2.8
278.05692	3.7
279.06488	5.5
289.08728	2.0
291.06503	10.2
291.09436	2.1
292.07217	2.6
292.10330	1.2
293.08078	2.8
295.06100	1.8
295.09653	1.6
297.04016	2.0
299.20297	1.3
303.06534	2.1
305.08090	4.1
306.08804	1.6
307.05841	3.8
309.03922	88.5
309.07230	3.4
310.04208	1.4
311.05420	2.1
313.07047	1.3
317.21167	1.6
319.05905	2.8
319.09564	1.8
321.07489	8.4
321.11090	2.8
323.05573	15.8
323.09088	2.4
323.12790	1.7
327.04968	25.7
329.07364	1.5
331.06000	5.3
331.09424	1.7
333.07578	4.3
335.05496	41.8
335.09094	3.8
335.22314	1.3
337.07141	7.5
339.00995	2.6
339.04971	35.6
339.08841	1.7
341.06503	1.4
341.13678	3.7
343.09607	1.7
347.05432	24.7
347.08951	2.3
351.04880	4.3
351.08878	2.5
353.06555	3.5
353.13763	7.7
359.09201	3.6
363.04913	58.0
363.08499	4.3
365.06558	8.3
371.03882	7.7
371.09103	4.4
373.10800	1.4
375.04944	30.1
375.08307	1.4
381.06006	3.8
389.09982	5.2
393.05972	100.0
394.06427	2.3
407.11270	5.8
411.06470	7.2
411.11563	2.2
413.08765	4.3
417.09607	2.4
419.11343	1.8
425.11722	1.3
429.12396	2.4
430.16879	1.4
431.11407	2.6
435.10672	4.9
443.10599	3.2
453.11618	5.7
461.12146	3.9
467.09775	12.7
479.13406	10.9
483.19528	1.5
497.09866	8.9
533.24921	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	533.1291
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40972	1.6
60.04518	1.8
60.32759	1.6
60.34822	1.8
67.05486	1.9
68.99787	4.5
69.03094	1.8
69.03431	18.5
70.06599	8.9
71.52747	4.8
72.08134	2.0
74.81227	1.6
80.41573	1.7
81.03422	2.1
84.08152	3.4
85.02903	2.2
86.09702	3.8
87.00818	3.5
91.05483	3.7
93.07030	2.6
95.59880	1.7
103.05484	1.9
105.07031	2.7
107.30316	1.6
119.04961	2.5
120.08044	2.7
127.03908	2.2
129.01889	2.2
129.10236	1.7
131.04930	2.3
135.04443	3.2
136.07608	1.8
137.05981	7.6
145.02921	2.2
145.06502	2.9
149.02379	2.2
149.05966	2.0
151.03931	11.1
161.05972	2.4
163.07376	1.8
165.01813	4.3
167.03381	3.0
167.07030	7.2
173.04610	2.0
175.04015	4.1
175.07547	4.3
177.05553	2.0
183.02849	3.6
191.06995	1.8
193.04980	2.5
195.02794	4.2
201.05405	8.3
212.86784	1.7
217.04941	4.2
230.02560	1.6
254.05675	2.9
270.05164	2.6
271.06015	2.9
282.05273	9.0
285.07510	5.6
296.06833	4.3
297.07520	8.6
298.04636	13.8
300.06281	4.8
301.07025	6.7
308.06812	4.1
310.04742	7.2
313.07037	46.9
313.10583	3.3
314.07584	4.2
322.08221	9.0
324.06293	5.9
325.07071	27.0
326.07693	2.2
327.08630	1.8
328.05801	18.9
336.06180	5.7
337.07065	1.9
339.04938	2.0
339.08652	8.0
341.10196	4.2
343.08105	79.3
343.12253	4.1
350.07867	18.3
351.08539	17.8
360.05835	2.3
365.10260	29.4
367.08154	6.5
369.09961	2.6
378.07278	14.9
383.11011	2.3
393.09683	64.5
411.10727	100.0
412.10910	2.8
429.08057	5.8
497.10803	3.2
515.11328	3.4
533.12726	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	532.3475
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	8.0
55.01858	4.5
55.05506	26.2
57.03427	7.4
57.07059	4.7
65.03925	3.3
66.04687	2.8
67.05500	92.2
67.95212	3.1
69.03419	16.7
69.07065	28.8
70.00421	16.8
71.04991	7.6
71.33213	3.2
73.02901	3.7
75.84380	2.9
79.05482	76.1
81.03410	20.3
81.07050	100.0
81.07529	5.2
82.86710	2.9
83.04985	6.2
83.08606	13.2
85.02457	3.1
85.02894	18.2
85.06535	4.3
91.05476	48.2
93.07032	85.6
95.04953	14.1
95.08608	72.0
97.02868	11.5
97.06490	6.3
97.10138	3.9
99.04432	6.5
104.10747	8.7
105.07027	41.4
107.04959	4.7
107.08588	52.6
109.06486	5.0
109.10130	39.1
111.04436	7.9
111.08053	4.4
117.07030	15.8
119.08568	32.4
121.10131	47.7
123.11678	15.5
127.03843	5.2
129.07004	9.5
131.08542	37.4
133.10124	24.6
135.07997	4.0
135.11674	30.7
137.09499	4.2
137.13216	5.2
143.08554	8.5
145.04895	3.8
145.10098	30.3
147.11685	19.9
149.09599	3.9
149.13284	18.7
155.08556	4.7
157.10133	8.3
159.11664	21.7
161.13257	13.9
163.14780	8.6
165.12714	3.6
169.10143	4.5
171.11633	7.2
173.13290	20.5
175.14792	8.5
177.16342	4.3
185.13214	5.4
187.14850	5.8
189.12732	3.7
199.14864	5.2
211.14880	4.2
241.19603	4.7
243.21028	15.8
250.88324	3.2
259.20505	4.0
261.22107	50.5
261.24698	4.7
277.21542	6.2
284.30234	3.7
285.22256	4.9
289.21655	6.3
291.23196	5.1
301.21613	3.8
303.23141	9.2
313.22012	4.1
315.23230	4.9
327.23196	3.6
341.24466	3.4
345.24185	4.3
351.23105	7.7
353.26926	9.6
369.24112	29.6
387.25250	20.9
405.26248	24.2
423.27277	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	530.3321
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.5
55.01865	8.1
55.05501	37.0
57.03430	17.1
57.07055	6.1
67.05499	100.0
69.03423	3.4
69.07065	25.2
70.17501	19.3
71.04985	5.8
73.02878	4.5
79.05485	46.8
79.56306	3.4
81.03400	12.8
81.07049	72.3
83.04965	10.2
83.08607	18.8
83.16056	3.6
85.02905	7.6
85.06548	5.5
87.04448	6.9
89.50557	4.5
91.05463	32.3
93.07037	45.1
95.04940	9.8
95.08585	28.4
97.06536	9.5
97.10133	10.2
98.20820	5.4
105.06998	16.9
107.08591	26.7
109.06496	5.3
109.10146	34.7
112.21413	3.5
117.06992	11.3
119.08574	11.3
121.10144	11.6
125.09637	12.6
129.05476	6.8
131.08556	12.8
133.10132	19.1
135.11697	12.2
136.06175	10.6
143.10654	3.6
145.10146	5.1
147.11578	3.8
149.13226	10.0
159.11679	6.9
163.11255	3.9
173.11743	19.1
177.12674	4.1
195.13818	16.6
199.13240	7.7
209.11734	7.3
229.14355	37.3
261.86179	3.6
269.17426	46.0
301.16510	8.3
376.18347	4.3
391.03497	3.3
423.27551	9.9
494.78180	4.0
495.29391	14.7
513.30304	10.3
530.39404	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	529.4094
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.9
55.01859	3.8
55.05263	4.7
55.05508	53.9
57.03434	33.9
57.07071	73.4
65.03930	5.6
67.05498	71.5
69.07062	87.2
71.08622	42.2
71.76202	5.0
75.04462	10.1
75.06364	3.1
79.05492	30.2
81.07047	100.0
83.04964	5.2
83.08614	69.0
85.06534	6.7
85.10162	23.0
87.04475	4.1
91.05505	13.3
93.07034	40.4
95.08598	89.4
97.06526	21.4
97.10160	47.2
99.08099	4.7
105.07043	5.8
107.08587	27.1
107.12190	2.8
109.10149	48.0
111.08051	8.0
111.11739	14.8
113.06001	3.2
115.07556	4.3
117.07043	4.4
119.08579	6.3
121.10126	43.5
123.11681	18.3
125.09602	7.1
125.13292	4.7
125.98113	3.0
129.09105	3.5
131.07051	7.0
131.08559	7.6
133.10150	6.7
135.11685	33.2
137.13226	7.2
139.11174	8.3
145.10112	5.9
147.11722	5.1
149.13274	15.6
149.89047	2.5
151.14775	3.6
153.12708	6.8
157.12259	3.4
163.14835	10.5
167.14268	8.0
177.16312	4.9
181.15999	3.7
191.17949	5.1
199.16942	3.9
205.19533	3.9
211.44644	2.9
223.20572	3.8
237.22137	3.2
241.21497	3.5
316.54913	2.7
317.32077	10.2
327.30536	3.5
335.33054	18.8
345.31567	16.7
363.32587	52.6
399.34622	68.3
400.34875	3.4
437.36292	44.8
455.37283	68.3
456.37921	4.9
511.39691	19.9
529.40332	57.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3883
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02350	1.0
52.16147	1.1
53.03927	4.1
54.49258	1.0
55.01852	2.1
55.05271	1.3
55.05508	17.6
57.03422	5.4
57.07057	3.4
65.03932	2.3
67.05499	51.8
68.33076	1.0
69.03403	1.4
69.07063	19.6
71.04987	2.4
71.08615	1.1
71.75991	1.2
79.05483	40.3
81.03399	1.3
81.07046	58.0
83.04966	3.0
83.08615	11.7
85.06520	2.2
87.04446	1.8
91.05470	32.5
93.07034	48.7
95.04967	7.3
95.08589	32.9
97.06524	4.5
97.10155	3.9
99.08086	1.2
105.07025	25.2
107.04971	2.4
107.08583	23.0
109.06522	1.7
109.10152	10.8
111.08061	3.5
115.05398	1.8
117.07009	16.7
119.08568	14.6
121.10136	19.1
123.11693	3.1
125.46456	1.0
128.06189	1.2
129.07019	6.1
130.07878	1.1
131.08562	22.2
133.10109	19.0
135.11674	9.6
135.73035	1.2
141.07007	1.9
142.07722	2.1
143.08553	9.0
145.10094	16.6
147.11685	8.2
149.09700	1.4
149.13217	11.5
155.08543	3.3
156.09305	1.4
157.10100	11.2
159.11684	17.4
161.13251	6.7
163.11194	1.3
167.08556	1.4
167.31503	1.1
169.10132	4.2
169.84343	1.1
171.11642	7.7
173.13199	8.6
175.14784	1.9
177.12759	3.0
181.10126	1.5
183.11684	2.5
185.13269	4.7
187.14786	5.2
189.16299	1.3
191.06456	1.1
195.11838	2.3
195.13795	2.9
197.13295	2.4
198.97578	1.1
199.14883	2.2
201.16380	1.6
209.13257	2.0
211.14888	2.7
213.16478	2.2
223.14784	1.7
225.16357	1.4
237.16417	1.3
243.21191	1.2
256.26407	3.6
259.20593	1.0
261.22211	1.8
294.53824	1.0
297.22177	1.5
299.23813	1.7
313.25272	1.3
325.25290	1.2
327.26541	1.1
419.33231	3.4
433.05719	1.2
437.34048	11.5
450.98569	1.1
455.35248	4.3
470.04279	1.1
473.36411	1.1
485.36600	1.1
493.36328	1.3
511.37698	8.0
529.38849	100.0
530.39075	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	529.3032
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	17.2
55.05763	2.2
57.03418	5.7
57.07046	2.2
60.84871	1.6
67.05495	31.9
67.79933	1.5
68.05040	2.1
69.07063	20.5
69.69962	1.5
70.56293	5.6
79.05490	10.1
81.07047	36.0
83.08595	10.5
91.05487	7.8
93.07035	9.1
94.16529	1.7
95.06078	40.7
95.08595	26.7
97.10155	4.2
98.21150	3.2
105.07016	6.0
107.08562	6.2
109.10147	8.1
113.07129	2.5
119.08557	4.0
121.10201	3.2
123.11672	3.3
133.10109	3.8
135.11583	1.9
147.11668	2.3
175.14815	1.7
193.03716	58.6
256.26276	1.7
263.23724	2.1
269.17197	1.8
337.27313	100.0
338.27737	2.0
432.28851	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3885
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	7.7
55.05506	18.6
57.63033	4.3
59.36364	4.3
64.36779	4.3
65.03935	7.2
67.05505	68.2
69.07072	15.8
70.06169	24.9
71.22418	5.1
77.42130	4.7
79.05489	55.2
81.03407	4.5
81.07050	67.1
83.08616	19.0
88.85186	4.7
91.05480	33.3
93.07035	77.8
95.04993	8.3
95.08605	31.8
97.06541	6.7
105.07014	22.7
107.08588	32.0
109.10162	10.5
111.08070	6.1
117.06995	13.8
119.08556	12.6
121.10141	19.5
131.08583	23.0
133.10178	8.9
135.11636	11.3
139.33327	4.3
145.10115	11.1
149.13261	25.2
159.11755	8.6
163.11067	8.1
164.59105	4.7
173.13254	5.2
193.46362	4.9
195.13966	5.2
199.23463	4.3
307.56540	5.0
381.03073	4.5
407.93179	5.6
437.34570	6.2
529.39008	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3002
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62294	1.8
53.03936	7.1
55.01862	9.7
55.05510	19.9
57.03429	18.1
57.07071	2.0
61.02614	2.4
61.02919	38.4
61.69637	2.0
63.29330	2.0
65.03943	2.0
67.05494	49.0
69.03426	24.4
69.07060	32.4
70.06598	3.3
70.09693	2.9
70.10107	9.4
71.01311	4.1
71.04975	7.0
73.02911	24.5
79.05481	38.3
81.03402	16.8
81.07047	100.0
82.07368	2.6
83.04951	12.4
83.08600	14.3
85.02895	35.4
85.06507	5.1
90.24844	2.1
91.03945	20.9
91.05470	38.9
93.07036	40.6
95.04949	13.9
95.08593	31.8
96.75808	1.9
97.02878	29.6
97.06532	11.5
97.10156	3.0
99.04436	5.5
101.02348	7.7
103.03925	3.4
105.07015	41.3
107.04923	10.9
107.08588	25.7
108.34955	2.5
109.02846	9.8
109.06502	23.1
109.10135	16.4
111.04421	2.6
111.08083	5.8
115.03905	3.1
117.07005	12.6
119.08579	32.1
121.06482	9.4
121.10146	20.0
123.04407	4.1
123.08067	5.9
123.11723	10.5
125.09628	4.2
127.03900	13.5
129.06987	5.1
131.08559	19.3
133.06548	2.7
133.10107	21.8
135.08032	6.3
135.11635	10.3
137.06004	2.4
137.09604	6.4
143.08556	5.9
145.04926	3.9
145.10106	19.0
147.07988	3.1
147.11687	33.6
149.09599	13.9
149.13260	10.9
151.11151	5.9
155.08549	2.1
157.10164	8.7
159.11696	16.8
161.13254	4.6
163.11238	11.4
165.12723	9.7
169.10106	2.3
171.11629	4.6
173.13214	6.3
175.11157	4.4
175.14754	2.4
177.12747	4.6
183.06563	4.2
183.11664	3.8
187.14650	2.3
193.12207	4.0
195.13843	2.2
197.13161	2.8
201.07594	4.3
207.13812	2.8
217.15771	2.2
226.10794	2.8
229.19493	4.6
239.17886	5.6
247.20586	7.2
257.18924	10.0
265.21442	2.5
267.16025	2.7
269.17447	2.9
275.20023	68.3
286.39856	2.1
289.17999	2.4
293.21109	19.6
349.23697	17.6
367.24731	59.6
391.24683	2.8
493.27374	2.4
511.28748	4.7
529.29773	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	529.3006
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	7.5
55.05510	13.8
56.36622	2.7
57.03427	5.5
60.48228	2.5
61.02916	5.9
64.67756	2.5
67.05502	33.5
69.03423	3.6
69.07069	14.0
70.06574	4.1
71.48566	5.8
79.05489	21.1
81.03407	8.4
81.07046	36.6
83.04959	12.3
83.08607	7.7
84.08124	3.2
85.02882	7.8
91.05479	23.1
93.07027	30.3
95.04942	7.3
95.08586	23.6
97.02857	11.0
97.06544	7.1
97.10152	4.8
101.35767	3.0
104.27431	2.8
105.07022	32.9
107.04929	8.2
107.08560	17.7
109.02824	3.5
109.06518	8.8
109.10139	11.7
117.06985	9.1
119.08585	21.1
121.06486	10.1
121.10119	11.7
123.08073	4.8
123.11718	4.3
127.03883	6.5
131.08586	16.2
133.10106	24.1
135.08000	6.0
135.11710	6.8
137.09639	3.0
139.10904	2.9
143.08635	6.5
145.06516	3.3
145.10095	12.3
147.08003	3.8
147.11658	14.8
149.09615	13.2
151.11148	3.9
157.10132	4.2
159.08014	5.2
159.11662	12.3
163.11165	8.7
165.12843	3.7
173.13243	9.2
175.11191	4.6
177.12724	5.4
183.11673	4.4
187.11133	3.4
191.14362	5.1
195.57587	3.1
207.13788	3.4
239.17909	6.3
257.19006	10.9
275.20038	100.0
275.23013	5.3
276.20264	3.7
284.63727	3.0
293.21109	16.2
311.21878	2.6
349.23682	90.5
360.07974	2.6
367.24802	23.4
437.24951	5.8
529.28058	4.5
529.36115	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3003
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	6.1
55.01859	7.4
55.05508	19.7
55.29679	1.7
57.03426	17.4
61.02610	2.8
61.02921	39.6
67.05495	47.2
69.03418	23.0
69.07064	27.8
70.71165	5.5
71.01371	2.3
71.04985	7.6
73.02908	20.5
79.05486	34.7
81.03407	21.9
81.07047	100.0
83.04965	7.3
83.08619	12.9
85.02898	38.0
85.06542	4.8
85.17326	1.6
91.03940	19.2
91.05473	30.8
93.07040	28.5
95.04951	15.0
95.08599	37.8
96.09536	1.5
97.02883	32.4
97.03468	2.6
97.06523	12.4
99.04448	6.8
99.08064	5.6
101.02374	8.4
103.03921	8.6
105.07011	34.1
107.04914	9.5
107.08591	21.0
109.02865	12.7
109.06506	28.0
109.10146	11.2
111.04443	4.3
111.08064	8.2
115.03905	1.8
117.06998	7.4
119.08567	24.9
121.06482	5.0
121.10125	18.1
123.04446	8.4
123.08053	9.4
123.11664	9.0
125.09620	3.4
127.03886	14.9
129.05470	2.2
129.07007	4.9
131.08575	15.6
133.10124	20.0
135.08046	7.1
135.11659	7.6
137.09613	5.1
138.54272	1.8
142.04094	1.9
143.08571	4.4
145.04965	3.4
145.06436	2.8
145.10117	14.5
147.08040	2.7
147.11673	28.4
149.09592	12.7
149.13200	11.4
151.11131	3.2
155.08553	2.1
157.10121	5.2
159.11659	9.0
161.13228	5.1
163.11163	8.2
163.14900	2.3
165.12790	10.6
167.14201	2.4
171.11668	2.5
172.00938	1.8
173.13248	4.8
175.11154	5.4
177.12778	7.1
183.06528	6.3
187.11253	2.4
193.12274	2.5
197.13274	2.4
201.07585	3.1
205.12300	2.0
207.13834	2.3
223.13446	1.9
229.14253	2.8
229.19557	3.5
239.18028	4.7
247.20561	7.2
257.18927	9.0
265.21637	1.7
275.20047	79.9
291.19647	3.4
293.13174	2.0
293.21063	25.5
349.23712	16.6
357.51834	2.1
359.21957	2.9
367.24805	47.5
401.22464	1.9
419.24091	2.7
433.25989	3.1
511.28937	3.4
529.30011	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	529.3003
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	7.5
55.01864	15.1
55.05507	22.2
57.03427	17.1
57.07081	3.0
61.02925	41.4
64.54173	2.5
67.05492	57.1
69.03422	25.5
69.07066	28.8
70.86227	8.4
71.01320	2.8
71.04981	7.8
73.02917	17.4
79.05476	42.8
81.03398	19.7
81.07048	100.0
83.04953	10.1
83.08604	16.6
85.02890	36.7
91.03948	26.7
91.05480	43.3
93.07042	40.7
95.04943	14.9
95.08588	33.5
97.02884	36.1
97.06513	20.9
97.10165	8.8
99.04438	7.7
99.08057	3.9
101.02352	10.9
102.40160	2.8
103.03914	6.4
105.07012	40.2
107.04975	14.8
107.08592	25.1
109.02875	8.1
109.06516	22.1
109.10124	20.6
111.08044	5.8
117.07005	11.0
119.08580	26.1
121.06474	5.8
121.10152	18.5
123.08083	7.7
123.11676	8.9
125.09613	8.7
125.76604	2.4
127.03919	17.5
129.07004	6.4
129.83870	2.9
131.08542	19.5
133.10100	28.0
135.08026	6.0
135.11676	10.2
137.05800	3.1
137.09555	4.1
145.04955	3.9
145.06436	3.1
145.10092	12.0
147.08037	4.2
147.11679	31.6
149.09552	19.8
149.13246	9.2
151.11166	7.6
157.10052	4.7
159.11690	10.9
161.09605	3.8
161.13235	5.7
163.11176	11.9
163.14822	3.4
165.12761	11.6
171.10216	3.3
171.11646	3.8
173.13313	7.7
175.11130	4.2
177.12704	3.9
183.06590	5.8
183.11636	3.3
187.14897	3.4
189.11191	3.0
193.12215	3.0
195.13731	4.1
227.12866	4.3
229.14246	2.6
229.19424	5.2
239.17854	4.2
240.77965	2.8
245.68814	3.6
247.20641	5.5
257.18958	13.6
269.17459	3.4
275.17157	5.7
275.20038	95.7
293.21112	20.6
299.05182	3.3
349.23767	22.5
365.81180	3.1
367.20209	4.6
367.24774	56.8
465.97409	3.2
484.22427	2.9
529.29272	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	529.3002
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03447	1.6
53.03928	8.8
55.01864	11.5
55.05501	20.5
55.97467	2.0
57.03430	14.6
57.07053	3.2
61.02916	29.0
65.03910	4.5
67.05498	57.1
69.03427	24.5
69.07060	27.6
70.06580	4.8
70.32980	10.1
71.01331	2.7
71.04964	8.9
73.02907	16.2
79.05484	36.8
81.03412	22.0
81.07047	100.0
83.04958	9.8
83.08604	19.7
84.08128	2.7
85.02898	35.9
85.06544	6.1
86.33997	2.1
91.03946	16.6
91.05468	37.1
93.07032	38.7
95.04959	18.8
95.08601	37.5
97.02885	28.5
97.06531	16.3
97.10138	2.8
98.20792	2.3
99.04436	5.0
99.08126	2.3
101.02357	9.1
103.03908	2.6
105.07011	33.2
107.04961	10.9
107.08572	24.1
109.02855	10.4
109.06501	21.7
109.10146	13.9
111.04436	5.7
111.08075	5.1
116.71665	2.4
117.07021	10.7
117.49052	2.5
119.08557	26.0
121.06474	9.8
121.10123	19.3
123.04417	9.5
123.08048	10.8
123.11656	10.1
125.09618	3.2
127.03908	13.6
127.07599	2.6
129.05431	2.3
129.06975	5.0
131.08545	18.9
133.06407	5.0
133.10107	20.8
135.08034	8.9
135.11682	9.3
137.05957	2.0
137.09558	4.6
137.13254	2.7
139.07547	2.4
141.06960	2.2
143.08534	5.5
145.04919	2.1
145.10124	12.4
147.08060	5.1
147.11667	22.3
149.09633	11.3
149.13237	8.2
151.11176	4.4
155.08539	4.2
157.10123	6.0
159.06529	2.5
159.11653	12.5
161.09624	6.0
163.11147	10.5
163.14781	3.7
165.12721	10.4
171.11719	4.4
173.09615	4.6
173.13226	4.8
175.11089	4.1
177.09032	2.0
177.12758	6.3
183.06577	2.9
183.11665	4.3
185.13248	2.5
191.10515	3.4
193.12250	2.1
195.13789	3.0
197.13252	2.6
199.03918	3.0
200.85783	2.0
217.08588	4.3
219.13885	2.6
223.13226	2.8
229.14256	2.2
229.19545	3.8
239.17847	4.3
247.20589	6.3
257.19009	7.1
269.17532	6.3
275.20044	66.4
291.19678	3.0
293.20944	16.7
299.05557	3.1
341.21011	2.8
349.23676	20.6
359.22061	3.4
367.24783	34.9
427.94070	2.3
475.26733	2.6
493.14581	2.4
529.29529	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	529.277
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29853	0.6
51.49192	0.6
55.05527	0.6
67.05496	1.6
68.74995	0.5
69.07028	0.8
70.06590	0.6
71.75421	1.0
79.05486	1.0
81.07031	1.5
93.07022	0.9
93.22522	0.6
95.06123	0.7
105.07024	1.1
109.10127	0.8
121.10129	0.7
131.08586	1.1
365.22937	20.3
366.23495	0.7
529.27698	100.0
530.27838	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	529.3007
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.8
55.01857	7.2
55.05509	21.8
57.03424	8.7
57.07077	3.7
61.02899	4.8
66.43137	3.4
67.05511	26.4
69.03416	4.3
69.07059	18.4
70.06579	3.9
70.08110	8.8
70.08521	11.6
79.05482	28.5
81.03388	13.7
81.07047	49.5
81.14702	3.4
83.04957	7.9
83.08596	17.2
85.02885	9.1
89.06024	4.6
91.03936	7.2
91.05473	36.9
93.07023	27.7
95.04957	8.9
95.08601	34.4
97.02876	4.7
97.06516	10.0
97.10114	4.0
105.07027	48.0
107.04932	12.5
107.08585	19.8
109.02849	5.2
109.06503	12.4
109.10138	14.3
110.84132	3.3
111.04377	4.7
115.20286	3.5
117.07002	12.0
119.08551	36.1
121.06467	5.6
121.10112	15.1
125.09607	4.3
127.03891	10.8
129.05487	3.9
131.08528	14.7
133.10133	39.6
135.08003	6.4
135.11650	6.8
145.10106	21.6
147.11644	10.3
149.09555	9.4
159.11682	13.3
161.13306	5.7
163.11227	5.0
171.97533	4.1
177.12729	8.9
179.14336	4.4
229.19495	6.1
239.17976	4.5
257.18964	9.2
258.34219	4.1
275.20023	100.0
276.20206	4.9
293.21100	8.4
302.63263	3.6
306.78616	4.1
323.45468	3.6
349.23712	73.0
367.24341	5.1
419.24298	6.5
420.91904	3.9
529.28333	4.6
529.36334	6.5
547.18152	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	529.2771
Annotation	Terpenoid EA-I
Peak:m/z	Relative Intensity
55.05511	1.3
63.03722	0.7
67.05487	1.7
71.27129	1.7
78.84519	0.8
79.05488	1.8
81.07052	3.0
91.05474	1.5
93.07032	1.4
95.08591	1.6
95.74174	0.7
98.93755	0.8
105.07040	1.4
109.10150	0.7
111.63122	0.8
121.06549	0.9
145.10146	1.1
178.07817	0.8
191.54648	0.8
313.77490	0.8
318.80093	1.0
364.79031	0.8
365.22971	14.5
529.27722	100.0
530.28217	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	529.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03913	1.3
53.40787	0.7
55.01838	0.9
56.04994	2.8
57.03396	0.7
61.02894	1.6
69.03423	10.1
70.06567	1.2
70.55545	2.7
71.04989	0.7
73.02877	1.9
79.05489	5.0
81.03409	7.1
82.02941	0.7
84.04498	40.1
85.02892	10.3
87.00824	3.2
97.02879	4.4
98.02374	1.0
99.04391	2.5
102.04888	1.1
102.05531	14.8
106.06532	13.6
107.04944	10.7
109.02859	4.5
110.53069	0.6
111.05520	0.7
112.03926	1.4
116.04949	4.6
118.06511	0.8
126.05348	0.8
127.03899	6.6
128.43445	0.7
129.06874	0.8
130.04990	15.4
130.06480	1.8
132.06819	11.4
133.07600	12.1
134.05981	7.3
144.08044	4.7
145.04939	0.7
148.06018	6.3
151.08516	0.8
154.06494	1.4
155.06149	0.7
156.08076	6.6
157.07555	1.9
158.04445	1.9
159.02835	1.3
171.09169	16.2
172.07547	1.3
185.07085	0.8
190.08615	1.2
199.08653	13.4
200.06984	2.1
202.08490	1.0
217.09723	6.6
218.08064	2.2
227.08150	1.1
235.10739	2.3
236.09125	2.0
245.09213	8.9
263.10184	6.4
272.07196	0.8
281.11298	100.0
282.11612	2.0
443.16522	6.8
485.17599	27.5
511.15787	1.2
529.16614	46.7
530.16803	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.2325
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.6
55.01854	2.8
55.05504	9.2
56.05017	3.9
57.03412	3.0
58.65621	1.2
58.99569	3.4
59.04983	3.8
61.02929	1.8
66.52355	1.2
67.05498	18.3
68.05013	3.5
68.38761	1.1
69.03407	4.6
69.07060	7.6
70.06588	7.2
71.04985	2.6
71.74945	1.7
72.08128	3.8
76.02207	4.5
79.05486	15.4
80.04994	2.4
81.03412	3.9
81.07049	24.3
82.03247	1.2
82.06577	3.4
83.04941	1.6
83.08622	6.1
84.04494	36.5
84.08140	2.7
85.02888	4.6
86.00638	2.7
86.06046	2.0
86.09687	3.1
86.99035	2.2
88.02248	1.8
89.06002	1.4
91.05479	11.2
93.04546	1.3
93.07032	18.7
94.06563	5.7
95.01392	1.3
95.04954	4.5
95.08578	12.4
96.04475	4.7
97.01088	1.5
97.02883	2.9
97.06523	5.0
97.10166	2.7
98.06044	3.7
99.08088	1.4
100.07610	1.3
100.11233	8.3
102.05498	1.5
105.07014	11.3
106.06537	3.0
107.04924	1.6
107.08587	11.2
108.08127	1.5
109.02873	2.4
109.06494	2.9
109.10146	7.3
110.06004	3.1
111.02663	2.1
111.04381	1.4
111.08073	2.7
112.02172	1.5
114.03784	1.3
114.05522	10.7
114.10300	2.1
116.01662	9.7
117.06998	5.1
118.06571	1.3
119.08614	6.7
120.08096	4.0
121.10130	5.8
121.88596	1.2
122.06013	4.9
122.09708	1.4
123.08084	3.7
123.11692	2.4
124.07560	2.8
126.03745	1.5
126.14375	1.3
126.16888	1.5
128.07053	2.1
129.07004	1.9
130.05013	13.2
131.08575	6.0
133.08679	1.4
133.10117	8.5
134.05989	1.4
135.08046	1.5
135.11674	5.1
136.07423	1.5
137.05991	1.8
140.07025	3.1
142.03209	4.8
142.04970	5.0
143.08534	1.6
144.01123	3.0
145.10086	4.4
147.07997	1.4
147.11700	4.8
148.07570	2.3
149.09586	2.2
149.13240	9.9
152.07053	1.4
156.06613	1.7
157.10133	2.6
159.08018	1.5
159.11667	12.4
161.09581	2.5
162.02208	4.7
167.06978	1.6
168.06541	9.4
169.10150	3.5
170.02734	2.2
171.11711	1.6
172.04213	2.0
173.13264	1.7
175.11191	2.3
176.14313	2.6
177.12735	100.0
178.13036	1.4
179.04787	1.9
182.15337	2.9
186.12781	3.4
187.14758	1.4
194.08102	2.2
204.13847	3.5
209.16348	2.0
210.14885	3.0
212.16425	2.8
219.10320	1.3
229.06477	1.6
232.16934	2.2
238.17950	2.1
245.06030	2.0
252.14104	1.8
259.17953	1.6
260.16464	21.9
275.20023	1.3
278.17441	18.8
287.17465	18.6
288.15823	1.8
291.06342	1.6
305.18466	9.5
306.16919	7.4
324.17978	15.3
333.17966	6.4
351.19162	22.9
373.17871	17.8
408.19571	5.7
426.20630	4.1
427.19022	11.2
448.18982	12.2
454.20093	7.2
466.20087	9.2
494.19376	4.7
502.22125	65.6
503.22244	3.3
511.28271	1.3
529.23145	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	529.1339
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67109	1.4
52.59436	1.6
53.03923	1.8
55.01865	2.5
69.03416	5.2
70.06591	7.5
71.76022	2.6
72.08133	3.7
84.08120	1.7
86.09686	6.0
91.05460	4.7
105.07024	3.4
119.04932	9.9
120.08092	1.9
120.64111	1.3
121.02853	31.8
121.06429	1.5
121.65368	1.5
123.00773	1.8
129.10202	1.6
131.04909	2.5
137.05972	20.0
145.02831	1.6
151.07515	3.0
161.05992	5.7
163.03802	1.5
163.07556	2.5
175.07549	4.0
177.01761	2.3
187.07481	3.3
189.01924	2.2
189.08972	1.6
191.03395	3.1
195.02924	5.8
203.03365	4.6
205.01353	2.5
207.02867	3.7
209.00864	3.7
211.07658	1.5
215.03435	2.2
217.01184	1.8
217.04849	1.7
219.02841	5.6
221.04375	3.4
223.02405	2.8
227.01781	2.2
231.02884	3.8
233.04483	2.1
235.02289	2.4
247.02261	2.0
259.02380	1.7
259.06030	1.8
279.06516	3.2
283.06039	7.1
291.06686	1.7
291.09860	2.1
293.08136	2.3
295.06018	34.7
297.07626	2.6
301.07062	2.9
307.05994	5.6
308.06732	4.7
309.03876	26.5
309.07584	9.7
311.05353	9.7
313.07166	2.7
321.04056	2.6
321.07574	13.8
321.11212	2.3
323.05530	12.8
323.12250	1.7
325.06940	8.5
327.04919	6.1
331.05847	2.0
333.07684	7.9
335.05447	8.4
335.08902	3.1
336.05988	2.4
337.07108	11.7
339.04984	6.3
339.08667	2.5
341.06531	2.4
345.07578	2.0
347.05469	5.1
347.09265	1.7
349.07019	17.1
351.04749	3.1
351.08759	3.6
353.06628	2.8
361.06952	8.4
363.04672	2.3
363.08694	2.9
365.06485	6.3
367.04758	1.8
375.04834	5.0
377.06378	11.6
379.08237	5.4
389.06793	3.5
393.05780	2.7
405.05923	4.1
409.09189	42.8
421.09244	10.8
433.09250	2.0
435.10510	3.2
439.10162	14.5
463.10202	68.9
465.11887	1.9
475.10168	18.4
493.11227	100.0
494.11337	2.5
511.12338	4.7
511.20511	2.2
529.22009	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.3176
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05491	0.4
56.27045	0.2
59.04977	0.2
67.05486	0.6
69.57984	1.5
71.08626	0.2
79.05467	0.5
81.07046	0.6
89.06025	0.3
91.05457	0.3
93.07032	0.4
94.04024	0.6
95.08585	0.3
119.03531	1.3
133.10150	0.2
136.06166	100.0
137.04556	0.7
137.06561	0.4
145.10033	0.2
149.13263	0.2
208.81734	0.2
528.24036	0.4
528.31659	6.4
528.37085	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.4105
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	4.1
57.07071	50.0
59.04721	1.1
59.04993	19.9
67.05484	3.1
69.07047	2.3
71.08624	100.0
73.06527	2.8
79.05481	2.6
81.07041	2.7
83.08627	2.0
85.10175	58.5
87.04453	6.5
89.06022	85.0
91.05466	2.6
93.07038	2.0
95.04897	0.9
95.08563	2.5
97.10150	1.7
98.20671	1.9
101.72810	0.9
103.07576	5.8
107.07043	3.7
107.08530	1.3
109.10110	1.4
109.20625	0.8
113.60892	0.8
114.10321	1.1
117.07004	1.0
117.09116	1.5
119.08585	1.4
124.32475	0.8
127.14813	5.9
129.06978	1.2
130.08624	2.8
131.07042	4.7
131.08505	1.9
133.08597	70.7
145.10065	1.2
157.10118	2.0
159.11577	1.1
172.12152	1.2
175.09615	2.2
177.11212	28.5
185.19020	9.0
206.36203	0.9
221.13760	6.1
229.21577	4.6
239.14897	3.0
283.17508	3.2
309.19183	1.2
327.20065	23.7
367.23187	1.4
371.22525	2.6
436.32526	1.6
454.34061	1.1
511.38358	5.4
528.37433	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	528.2802
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.4
55.01862	0.6
55.05499	0.6
57.03421	0.7
61.02908	1.3
63.18168	0.3
64.33262	0.3
64.83035	0.3
65.03923	0.3
67.05492	0.6
69.03417	3.6
69.07040	0.4
70.06579	2.1
70.70089	0.3
70.70428	1.1
71.01326	0.4
72.08139	0.6
73.02904	1.2
73.86963	0.3
79.05489	0.5
81.03391	1.0
81.07005	0.5
83.04938	0.3
84.08157	0.7
85.02882	1.6
86.09677	0.9
91.03934	0.5
91.05462	1.3
92.05002	2.2
93.05774	0.6
94.06574	0.5
97.02879	1.0
101.02357	0.4
105.07047	0.5
106.06526	0.6
108.08122	0.4
110.07117	0.4
110.09631	0.4
117.05759	0.9
118.06529	8.2
118.07391	0.4
119.04864	0.3
119.07303	0.9
120.08100	1.3
130.05019	0.4
130.06488	0.5
134.09628	0.8
135.04402	0.4
137.02318	1.7
144.08018	0.6
146.09653	0.6
157.49033	0.4
159.11638	0.3
161.02315	0.5
162.09129	9.9
163.09927	2.4
164.10687	0.4
165.18494	0.3
176.10655	0.6
189.01843	0.6
195.02905	0.4
202.15836	2.5
203.03470	0.3
206.08095	0.6
207.02991	0.4
215.03337	0.3
220.07770	0.4
230.15378	19.5
231.15746	0.4
248.16425	0.8
263.10358	0.4
269.04324	0.3
279.06973	0.4
292.19040	11.1
293.19495	0.4
295.05942	0.4
304.19214	1.0
307.06039	0.4
309.07581	0.3
310.04611	0.4
311.05453	2.7
312.05975	0.8
317.20700	0.3
322.20163	1.4
323.05600	2.3
323.12326	1.1
324.06085	0.6
325.06982	1.1
332.22174	0.4
336.06317	0.4
337.07031	1.9
338.07501	0.3
339.08707	0.5
341.06531	0.9
349.07077	1.2
350.07547	0.3
351.08737	0.7
352.05676	0.4
353.06583	0.9
361.07199	0.3
363.08609	0.5
365.06671	0.9
366.22742	14.7
367.08047	0.6
375.08649	1.0
377.06506	0.7
379.08112	1.0
391.08167	1.3
395.07538	1.0
403.08109	1.2
407.07593	0.8
408.07813	0.7
409.09259	1.1
413.08853	0.5
417.09445	0.6
421.09097	2.1
425.08652	0.5
426.09113	0.8
427.09909	0.5
433.09128	0.4
439.10257	1.5
445.09213	0.5
447.10416	0.7
457.09134	0.5
463.10214	1.3
475.10278	1.2
485.11078	0.4
492.10025	0.4
493.11282	2.3
510.11264	0.7
510.27881	0.4
511.12225	4.3
528.28003	100.0
529.13202	1.1
529.28137	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.2801
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60705	0.3
55.05497	1.1
57.03414	0.4
59.79926	0.3
61.02916	0.7
67.05495	0.3
69.03418	1.2
69.43634	1.1
69.44064	2.0
70.02943	0.4
70.06580	2.6
72.08147	1.1
73.02893	1.0
75.00915	0.3
79.05506	0.4
81.03381	0.6
84.04474	0.4
84.08128	0.9
85.02893	1.7
86.09680	1.2
91.03910	0.4
91.05472	1.4
92.04996	3.2
93.05805	0.5
94.06555	0.4
97.02872	1.0
98.06112	0.4
105.07011	0.3
106.06525	1.2
107.08604	0.3
110.07144	0.3
115.12921	0.3
116.07013	0.3
117.05733	0.7
118.06525	10.9
119.07304	1.0
120.08111	1.7
121.02958	0.5
129.10257	0.5
130.06503	1.0
132.10281	0.3
134.09654	0.7
135.04411	0.7
137.02309	0.9
144.08060	0.7
146.05998	0.4
146.09676	0.5
162.09117	10.5
163.07753	0.3
163.09932	2.8
168.58495	0.3
176.10628	0.5
188.07109	0.8
189.01807	0.5
195.02930	0.8
202.15901	2.9
203.03297	0.4
212.07501	0.3
230.15372	22.2
248.16432	1.8
285.07562	0.4
292.19028	39.0
293.19324	0.8
295.06058	0.6
304.19086	1.2
311.05463	3.0
312.06027	0.8
318.92346	0.3
322.20148	0.7
323.05481	1.4
325.07065	0.6
337.07025	1.2
341.06470	3.7
347.09268	0.4
348.09155	0.6
349.06628	0.4
351.08746	0.4
365.06604	1.0
366.22733	8.7
367.08163	0.5
379.08502	0.5
391.08142	1.2
407.07455	0.5
408.07666	0.5
409.09149	3.1
425.08792	0.8
426.09259	1.0
427.10114	3.2
434.67603	0.3
445.11331	0.4
478.29471	0.3
493.11285	0.4
511.12326	1.0
528.27991	100.0
529.13373	0.7
529.28052	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	528.2799
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98833	2.9
53.03943	4.1
55.01858	4.0
55.05503	3.3
57.03416	4.6
59.17497	2.4
61.02910	4.0
61.78489	2.7
67.05493	6.2
69.03429	14.0
70.06567	7.4
71.24898	5.8
72.08146	2.8
79.05486	7.6
81.03429	6.7
81.07034	14.0
85.02895	45.0
86.09675	3.2
91.03909	2.3
91.05486	7.7
93.07051	22.9
95.04959	3.3
95.08604	21.5
97.02900	17.6
97.06482	3.9
99.04440	4.5
105.07061	15.8
107.04972	2.8
107.08595	14.5
109.02843	5.4
109.10155	16.4
111.08025	4.0
117.07014	4.1
119.08536	20.3
121.06503	5.4
121.10127	13.7
123.11735	3.7
127.03890	10.9
131.08548	7.7
133.10091	9.7
135.11658	3.5
137.05888	4.1
143.08566	8.1
145.04941	17.2
145.05981	2.3
145.06380	2.3
145.10118	12.4
147.11674	22.5
155.08530	8.1
157.10114	6.3
159.11705	14.6
161.13205	6.4
163.07532	4.2
169.10143	10.6
171.11694	5.9
175.11140	3.1
177.08945	4.5
180.08640	16.7
183.11732	6.9
185.13197	3.0
193.12250	6.7
197.13271	9.1
199.14828	12.8
201.12743	10.3
211.14772	28.7
227.10652	3.1
229.12210	6.7
229.19579	5.0
239.14310	5.1
239.17929	62.0
241.19466	6.1
247.13283	21.9
249.16304	3.6
257.18997	59.2
267.17444	21.2
273.87698	3.2
275.20142	6.5
285.15222	3.4
285.18457	96.1
303.19513	100.0
313.18024	13.8
315.61395	3.3
321.20480	9.3
331.19104	20.2
336.22202	4.3
349.19952	7.2
366.22754	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	528.1895
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.2
55.01852	2.5
57.03412	1.6
58.99567	1.3
60.04516	1.0
61.02911	2.6
67.05484	1.4
69.03430	6.8
69.07057	2.4
70.06583	4.7
71.05005	1.2
71.74767	1.4
72.08141	2.3
73.02905	2.2
76.02216	0.8
79.05479	3.5
80.05011	3.9
81.03418	2.7
81.07050	1.2
82.06573	1.0
84.04494	1.4
84.08128	2.4
85.02900	9.2
86.09695	17.4
86.40614	0.8
86.99031	0.9
87.05557	0.8
91.05472	3.3
93.07028	1.1
94.06548	5.4
95.04941	1.4
97.01124	1.3
97.02858	5.2
97.06541	0.8
102.05490	1.4
105.07008	1.9
106.06538	1.6
109.02872	1.9
110.06017	1.2
112.02151	0.9
115.05428	0.8
117.05719	1.2
118.06522	1.7
119.04946	0.9
119.08539	1.0
121.06488	0.8
122.06010	10.5
123.04488	0.7
127.03911	2.3
128.06223	2.1
128.07100	0.9
129.07018	1.6
130.06522	3.0
131.08588	1.1
132.01050	1.0
132.08037	1.1
135.02657	1.5
136.07600	1.9
137.02307	1.1
137.04149	0.7
138.03716	2.0
141.06955	0.8
142.06120	1.1
143.07347	1.8
143.08574	2.1
144.08090	2.2
145.06493	3.0
146.05998	1.3
146.09651	1.0
147.07996	1.2
152.04524	1.9
153.06873	1.4
154.06494	1.4
156.08118	2.1
158.09541	0.9
160.07700	1.0
161.04288	1.1
162.03752	1.2
163.05702	0.9
164.07072	2.5
166.08630	1.4
168.08116	3.5
168.10172	4.0
169.08789	1.4
170.02708	1.1
170.09636	6.6
172.07555	2.4
172.11372	1.0
176.05338	1.1
182.02750	0.9
182.09631	2.0
184.04291	0.9
184.11241	2.2
185.04208	1.1
185.09702	1.1
188.10646	4.2
190.06783	0.8
192.10265	1.7
196.11252	1.0
198.05788	2.3
200.14470	0.9
202.06860	9.1
204.03375	1.1
205.01317	0.8
208.04237	1.8
214.06969	1.0
216.08504	1.5
221.04431	0.9
230.09825	1.1
230.11823	1.8
242.11839	1.0
243.12463	5.5
244.06387	5.8
244.13359	1.5
246.09528	0.8
262.14346	6.3
266.08801	1.3
270.07938	1.8
270.14920	2.1
272.09616	1.0
274.08945	2.4
276.10489	3.9
291.14627	1.4
292.09943	3.7
295.05908	1.8
300.09052	1.3
311.05487	1.8
312.05795	4.2
319.13831	1.7
320.13138	2.0
324.05777	1.2
325.06909	1.2
326.07526	1.4
334.15253	0.9
337.07117	1.1
338.07654	0.9
339.04944	3.4
340.05374	5.2
348.12631	23.5
349.07025	1.2
350.14398	1.0
351.17474	1.1
362.14734	1.1
366.06830	1.3
366.13684	26.7
379.07761	1.5
379.17377	3.4
397.09109	1.0
408.07983	1.2
420.07861	0.9
424.07489	2.0
426.09052	2.4
444.10025	2.3
492.09592	1.4
503.19223	1.0
510.11157	2.3
511.12491	1.5
528.18945	100.0
529.12354	1.2
529.19830	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	528.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.0
55.01846	1.9
55.68390	1.1
56.05022	3.2
57.03431	1.4
69.03424	13.3
70.06565	1.9
71.73865	1.4
73.02888	1.8
79.05486	4.1
81.03407	11.1
84.04496	100.0
84.08138	5.8
85.02898	16.2
86.09722	1.8
87.00803	3.8
91.05482	1.3
97.02877	7.9
99.04433	3.9
101.07117	12.7
102.05537	3.6
105.01839	1.5
106.06544	14.5
107.04944	5.0
109.02847	8.0
112.03955	4.2
113.81434	1.2
116.04964	17.5
123.08378	1.3
127.03886	11.6
129.06573	14.9
130.04991	34.6
130.06471	2.2
133.07579	9.8
134.05995	24.0
144.08046	2.7
145.04976	2.0
147.07626	5.7
151.08682	8.1
152.07050	8.8
156.08075	7.0
157.06075	5.0
157.07440	1.6
158.05952	1.3
159.02852	2.0
162.25166	1.4
171.09138	11.8
172.07486	2.9
185.07118	3.7
187.05963	1.5
190.07059	1.5
199.08643	15.5
200.07047	4.4
200.78725	1.3
202.08646	1.8
208.08139	3.1
217.09645	3.1
218.08109	2.9
224.67621	1.3
227.08134	2.9
244.10635	1.4
245.09157	17.1
246.07605	2.6
263.10245	21.9
278.81168	1.3
280.12909	56.1
281.11148	3.6
294.08069	2.7
320.03818	1.3
413.60492	1.5
442.18216	8.7
467.16937	2.9
484.19110	43.3
485.18243	3.1
508.66025	1.5
510.17050	1.9
511.15338	2.9
528.18134	76.3
529.17615	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	528.1822
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.9
55.01846	1.7
55.74934	0.7
56.05029	2.8
57.03435	2.1
59.18654	0.8
61.02921	1.6
68.05040	0.8
68.99765	2.1
69.03423	10.9
69.76258	1.7
69.76657	5.8
71.04978	1.0
73.02910	2.7
79.05483	4.3
81.03406	10.7
83.06100	1.7
84.04494	100.0
84.38190	0.8
85.02894	14.6
85.04801	0.8
87.00827	5.3
91.03909	0.7
91.05437	1.0
96.53724	0.7
97.02881	6.8
99.04453	3.2
101.07133	15.1
102.05522	1.5
105.01878	2.7
105.03391	1.2
106.06538	13.4
107.04905	5.0
109.02872	11.4
111.04446	1.4
111.05522	1.0
112.03943	4.8
116.04967	18.1
117.01831	1.1
118.06504	1.1
118.85576	1.0
127.03906	9.4
128.03470	1.4
129.01823	1.0
129.06577	15.0
130.04987	34.1
130.06470	1.5
133.06665	1.5
133.07599	13.6
134.05997	27.7
137.02332	1.5
144.08073	2.3
145.04961	2.2
147.04437	0.9
147.07620	5.4
151.08650	9.5
152.07033	9.2
154.04932	1.4
154.75674	0.8
156.08075	5.4
157.06081	5.6
157.07356	1.0
158.05942	1.2
159.02892	2.0
171.09154	11.1
172.06233	0.8
172.07570	3.3
185.07144	3.9
187.06041	2.3
190.07065	1.8
199.08647	17.1
199.10344	1.4
200.07112	3.5
202.08546	1.7
205.07057	1.0
208.08192	2.6
217.09789	4.1
218.08112	3.7
227.08191	3.8
235.10767	2.5
244.10895	1.5
245.09186	19.8
246.07613	2.0
250.09317	2.3
262.11853	1.4
263.10251	20.9
280.12897	52.4
294.08105	2.2
339.42770	0.9
442.18198	7.6
467.16687	2.9
484.19189	37.0
485.19547	1.9
510.16922	1.9
511.15524	2.7
528.18237	58.8
529.18518	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	528.1822
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.6
53.18304	0.7
53.81953	0.8
55.01861	1.5
56.05025	2.9
57.03426	2.6
60.08933	0.6
61.02899	1.2
68.99778	1.0
69.03423	13.2
69.76539	5.4
71.04983	0.6
72.08562	0.6
73.02909	2.4
74.02435	1.5
79.05492	4.0
81.03413	10.6
83.06104	1.1
84.04495	100.0
85.02900	14.6
87.00820	4.8
87.04475	1.0
97.02883	6.7
99.04432	2.6
101.07133	14.9
102.05560	1.3
103.21200	0.8
105.01860	2.0
105.03420	1.4
106.06547	13.7
107.04919	5.5
108.04491	1.0
109.02859	10.7
111.04425	1.3
111.05580	1.3
112.03954	3.5
116.04961	18.9
117.05729	0.7
126.05566	0.8
127.03905	11.0
129.01773	0.7
129.06578	12.4
130.04987	35.7
130.06503	1.6
133.07594	10.8
134.05997	28.8
137.02362	1.1
144.08040	3.2
145.04955	2.0
147.07642	4.9
151.08670	8.9
152.07051	8.8
154.04997	1.3
154.06404	0.7
156.08110	5.8
157.06099	5.7
157.07536	1.4
158.06093	1.3
159.02895	3.6
171.09134	11.1
172.06120	0.9
172.07552	2.4
185.07137	3.1
187.06015	1.7
190.07114	1.7
194.47458	0.8
199.08646	16.2
199.10352	1.3
200.07092	3.9
202.08611	1.5
208.08170	2.6
208.49667	0.8
217.09705	3.2
218.08075	3.6
227.08121	4.0
231.05235	0.9
232.03383	0.7
235.10794	2.1
244.10677	1.2
245.06848	0.8
245.09189	19.6
246.07616	1.7
250.09215	2.3
262.11826	0.9
263.10236	24.6
280.12894	62.4
281.13425	0.9
294.08273	1.9
335.88913	0.7
422.80060	0.7
442.18118	10.1
467.16473	1.9
484.19250	54.2
485.19547	1.0
510.17294	1.7
511.15582	5.1
528.18225	91.3
529.18353	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	528.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44506	1.2
55.01859	3.6
57.03428	2.7
61.02906	1.8
69.03422	8.6
70.06596	11.3
71.04977	3.1
71.47816	3.2
72.08134	3.6
73.02904	4.0
73.06534	1.2
79.05461	1.6
81.03406	5.4
84.04469	1.5
84.08128	3.9
85.02902	24.0
86.06030	1.6
86.09675	2.9
91.05458	4.0
95.01315	3.0
97.02872	6.5
103.05436	1.9
109.02852	2.6
109.10159	1.6
111.51054	1.4
113.02354	11.4
115.05396	1.5
117.05739	5.3
117.07005	2.5
118.06554	40.2
127.03918	3.8
129.06982	3.2
129.10216	2.1
130.06520	100.0
132.08075	4.7
142.06516	1.3
143.07307	3.5
144.08076	80.0
145.04944	2.9
145.06451	1.7
145.08385	2.1
151.11195	1.4
154.06505	15.2
155.07277	8.5
156.08075	15.7
158.05994	17.4
158.09628	2.6
159.06497	1.4
160.07579	12.8
162.05479	5.2
167.07179	2.7
168.08067	10.1
170.06023	3.8
171.06470	1.8
172.07568	75.2
173.08130	2.0
180.08073	3.4
182.06044	4.0
183.06740	1.6
184.07564	16.1
186.05522	10.1
186.09106	3.7
188.06944	2.0
190.08623	81.5
192.83563	1.5
194.06009	3.3
196.07570	6.3
198.05478	6.6
200.07069	2.8
202.08585	6.2
204.06552	5.0
208.07597	3.1
212.07080	10.9
214.08589	3.9
220.07780	1.6
220.09645	7.1
222.05394	1.7
224.06984	6.9
226.05092	2.6
226.08759	1.5
227.05484	1.5
232.09637	3.1
236.06935	2.9
238.04947	2.6
239.05392	4.6
242.08125	1.8
252.06479	2.8
254.08145	4.3
256.05994	4.0
256.09799	1.8
257.06351	7.7
260.09140	13.6
272.09082	9.2
274.07062	5.3
275.07339	5.6
281.35489	1.5
286.07230	2.6
295.06088	2.0
302.10220	7.4
304.08002	3.3
312.08643	4.3
320.11282	12.5
325.07162	1.6
330.09726	16.3
348.10751	30.8
366.11777	2.8
390.11478	2.8
408.13086	2.0
419.11664	1.7
528.21692	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	527.3899
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69707	2.9
54.02350	2.7
57.03429	3.7
57.03915	2.5
57.07069	100.0
58.04196	3.7
59.04988	30.9
69.93761	5.7
69.94171	12.0
71.08244	5.0
71.08617	66.9
72.05731	2.5
80.73814	2.5
83.08569	3.0
85.10174	57.5
89.05996	8.9
90.01897	17.8
97.10169	3.9
99.11730	9.2
109.10155	2.4
117.09133	6.4
124.31673	2.5
155.17903	6.5
183.17383	3.6
213.22136	8.0
222.09695	9.0
240.10826	4.5
271.26306	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	528.1707
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.6
55.01857	3.3
57.03426	2.3
61.02919	4.2
65.03967	1.4
69.03416	8.2
70.06283	3.6
70.06608	7.3
72.08137	3.6
73.02911	3.2
81.03399	5.2
84.08137	5.3
85.02899	24.6
86.09710	2.5
91.05486	3.2
95.01324	4.6
97.02895	8.7
98.21371	2.1
98.97549	1.4
99.04456	1.9
103.05482	1.4
109.02875	2.2
113.02347	12.9
115.05452	2.7
117.05755	7.0
117.06976	3.3
117.18635	1.3
118.06538	39.9
127.03925	4.8
129.06963	3.9
129.10251	2.1
130.06519	100.0
131.06863	4.2
132.08069	5.2
142.06540	2.7
143.07289	5.6
144.08080	94.7
145.04924	2.7
145.08414	2.6
154.06500	16.4
155.07286	8.9
156.08075	17.1
158.05997	16.9
160.07579	14.0
161.05891	1.5
162.05490	6.3
167.07289	3.7
168.08080	11.1
170.05997	8.0
172.07564	77.4
173.08040	3.1
174.08992	1.4
177.05533	1.8
180.08095	4.0
182.06088	4.6
183.06581	1.7
184.07608	16.4
186.05495	8.2
186.09140	3.2
188.07004	2.3
190.08612	85.2
191.08919	2.2
194.05946	2.2
196.07568	7.7
198.05539	5.7
200.07050	5.1
200.14394	1.8
202.08649	3.2
204.06447	8.4
208.07642	2.1
210.09125	1.5
212.07065	9.6
214.05121	1.4
214.08510	6.5
220.09659	4.6
222.09129	1.6
224.07088	5.2
226.04993	3.3
226.08531	1.7
232.09734	4.3
236.07028	1.9
238.04968	2.9
238.08662	1.8
239.05316	3.8
240.06577	2.7
240.70897	1.4
242.08107	3.9
252.06467	1.9
254.08145	5.4
256.06061	5.6
256.09317	1.6
257.06348	8.1
260.09152	14.5
270.07538	1.6
272.09106	11.6
274.07117	4.8
275.07379	7.0
279.00153	1.4
282.07721	2.0
284.09109	2.4
286.06921	2.6
295.05905	2.5
302.10278	5.8
304.08099	2.9
312.05515	2.0
312.08768	4.7
320.11249	14.2
320.29224	1.8
325.06824	1.7
330.09695	14.1
348.10724	30.2
366.11694	2.7
378.11569	1.5
391.07770	1.7
408.12836	2.8
419.11353	2.6
444.10236	1.6
458.13306	1.7
492.80182	1.4
528.22174	6.5
528.28766	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2849
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.7
55.01865	5.3
55.05507	23.9
57.03446	8.1
57.03661	1.9
57.07068	2.6
59.04992	2.4
61.02924	19.1
65.03925	3.3
67.05501	30.3
69.03437	9.5
69.07059	10.8
69.66708	1.5
69.98844	8.9
70.06580	3.8
71.04982	6.3
72.08155	1.6
73.02905	6.3
79.05486	34.4
79.92310	1.3
81.03425	7.5
81.07049	40.0
83.04974	5.7
83.08602	9.3
84.04501	1.5
84.08139	2.8
85.02893	18.2
85.06513	3.0
89.06030	1.8
91.03953	8.8
91.05470	47.3
91.25377	1.4
93.07037	35.2
95.04947	6.0
95.08601	28.9
97.02892	9.2
97.06516	6.4
97.10163	6.7
99.04459	2.9
99.08086	2.2
101.02352	1.5
103.03960	1.7
103.05460	1.8
105.06340	2.5
105.07025	44.5
107.04935	4.3
107.08582	19.5
109.02859	2.3
109.06525	13.2
109.10126	11.4
111.04446	2.0
111.08075	6.1
115.05428	5.9
116.06251	3.5
117.07011	26.6
119.04893	2.1
119.08575	26.2
121.06454	7.8
121.10147	13.8
123.04419	1.7
123.08088	8.4
123.11655	4.1
125.09608	3.2
127.03909	5.7
128.06219	14.8
129.06998	19.5
130.07774	6.1
131.08557	54.0
133.06487	9.2
133.10115	18.6
135.08008	7.4
135.11662	6.3
137.05963	1.7
137.09607	3.9
139.07533	1.6
139.11176	3.5
141.06958	8.4
142.07724	5.1
143.08553	52.8
145.04968	1.3
145.06493	4.0
145.10107	54.9
147.08052	12.8
147.11668	6.1
149.09613	5.4
149.13248	3.8
151.07492	4.0
151.11139	3.5
155.08536	7.0
157.10110	18.5
159.08035	4.2
159.11671	15.0
161.09605	15.2
161.13194	2.1
163.11185	4.2
165.06982	2.5
165.09096	1.5
165.12822	1.7
166.90005	1.4
167.07153	1.4
167.08531	3.8
169.10120	11.1
171.08031	2.1
171.11671	16.3
173.09596	3.4
173.13290	3.5
175.11124	9.1
177.12741	9.2
181.10158	10.1
183.11668	7.2
185.09653	2.1
185.13310	6.6
187.11229	2.9
189.09109	2.8
189.12732	3.2
193.12228	1.8
195.11694	13.9
197.13264	2.9
199.11131	2.6
199.14795	2.1
203.12666	2.2
209.13304	3.0
211.14781	2.4
213.12671	3.1
217.08606	26.9
227.17943	4.9
237.16377	16.7
245.18942	4.1
255.17459	25.8
272.52448	1.4
273.18466	51.3
291.19598	4.2
329.21310	2.7
347.22134	100.0
348.22531	2.9
359.45105	1.4
365.23175	5.2
389.49194	1.6
414.75735	1.5
527.27686	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	527.2846
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	13.1
55.05499	25.3
57.03440	22.8
57.07060	10.2
60.95992	9.2
61.95541	9.7
64.30313	8.9
66.78580	9.0
67.05503	51.4
69.07045	17.0
70.06561	14.8
71.74837	17.3
79.05469	43.6
81.03418	10.1
81.07040	56.5
83.04974	9.5
83.08586	11.2
88.52306	9.4
91.05451	52.1
93.07015	43.1
95.04964	23.3
95.08589	30.2
105.07024	51.4
107.04916	18.1
107.08570	14.1
109.06481	12.6
109.10103	11.0
111.07999	12.8
117.06996	35.2
119.08538	23.0
121.06484	20.9
121.10144	19.3
129.06972	19.6
131.08548	23.7
133.06497	15.9
133.10112	18.7
135.08057	11.8
137.09587	13.3
139.03943	9.2
143.08571	15.9
145.06468	16.3
145.10103	11.7
149.13243	9.9
155.08540	14.6
158.04816	9.0
159.11731	10.6
163.11234	11.3
169.10083	14.4
183.11583	11.6
185.13292	14.5
195.08203	10.5
209.11647	10.5
225.08569	9.4
240.21472	9.8
278.44598	9.7
329.21185	13.0
343.22778	12.8
353.21072	18.7
371.22110	54.7
381.20526	13.9
389.23093	27.6
399.21625	21.7
407.24060	21.7
435.23322	11.9
527.28546	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2848
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00694	3.4
53.03943	9.0
55.01857	8.5
55.05508	45.9
57.03422	12.9
61.02920	28.0
65.03934	5.3
67.05502	50.5
69.03416	24.3
69.07062	21.9
70.06571	6.0
70.80798	11.6
71.04977	9.6
72.98719	4.6
73.02916	6.0
78.37404	4.5
79.05482	51.5
81.03401	22.2
81.07046	61.8
83.04965	10.9
83.08602	12.3
85.02886	30.1
91.03944	9.3
91.05465	79.7
93.07034	54.0
95.04964	14.0
95.08595	42.8
97.02877	21.1
97.06522	8.0
97.10162	9.0
99.04450	5.8
99.08061	5.2
101.22018	3.6
105.07017	67.6
107.04932	10.4
107.08590	28.8
109.02895	4.6
109.06490	15.9
109.10156	17.8
109.42009	3.6
111.08067	6.5
112.35842	3.7
115.05416	6.0
116.06239	4.5
117.07018	50.1
119.08578	53.3
121.06468	11.5
121.10148	18.4
123.08026	18.0
123.11690	5.4
125.09668	5.8
127.03893	18.4
128.06235	32.3
129.06999	38.0
130.07762	10.7
131.08554	88.9
133.06487	16.9
133.10097	29.0
135.08098	10.4
135.11681	9.7
137.05988	6.0
137.09612	8.0
139.11162	4.9
141.06998	16.1
143.08553	100.0
145.06572	4.2
145.10110	90.5
147.08014	18.8
147.11659	11.7
149.09584	9.1
149.13254	7.3
151.07536	4.9
155.08540	14.5
157.06485	6.4
157.10144	38.3
159.08018	9.1
159.11690	26.2
161.09602	21.7
161.13254	5.7
163.11191	9.2
165.07011	5.9
169.10138	24.0
171.07982	4.2
171.11691	28.0
173.09578	7.3
173.13319	4.6
175.11203	14.7
177.12784	8.2
178.07866	4.5
181.10127	13.3
183.11714	12.8
185.09654	6.7
187.11098	4.7
195.11664	25.0
209.13249	7.1
213.12831	6.7
213.16359	4.8
217.08513	6.3
225.12698	4.1
227.17921	8.9
237.16370	40.5
245.19110	4.6
255.17415	31.3
265.56607	3.9
273.15652	8.1
273.18475	87.0
347.22113	70.6
365.22983	6.3
417.22678	8.0
435.22974	3.8
527.28583	16.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2846
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.9
55.01868	31.2
55.05270	3.7
55.05507	40.8
57.03428	15.3
57.07058	8.1
61.02918	2.2
65.03922	2.5
67.05497	56.1
69.03410	7.9
69.07053	24.4
69.47499	8.0
69.47918	17.5
71.04989	5.3
71.08618	6.9
79.05483	43.3
80.13761	2.5
81.00706	2.1
81.03421	5.7
81.07049	88.0
83.04967	15.5
83.08614	29.4
85.02899	11.6
85.06523	5.0
85.10166	16.9
91.05470	41.9
93.07037	42.8
95.01323	35.3
95.04970	17.1
95.08592	44.7
97.02885	7.0
97.06517	10.0
97.10140	3.6
98.21424	4.0
99.08053	8.1
105.07020	43.7
107.04958	8.8
107.08576	21.4
109.06522	11.3
109.10172	14.3
111.08085	35.2
113.02359	6.5
113.09623	21.2
117.06984	5.7
119.08561	32.9
121.06495	3.6
121.10109	20.7
123.08057	7.6
123.11683	8.2
125.09592	3.3
129.01808	6.4
129.05463	7.7
129.06998	9.5
131.08568	12.2
133.06480	3.9
133.10136	27.5
133.68173	2.3
135.08026	3.4
135.11667	10.7
137.09572	6.7
137.13260	3.0
139.11195	4.4
139.81569	2.8
141.01805	15.2
142.54977	2.5
143.08548	4.4
145.10136	8.0
147.07997	3.1
147.11658	40.4
149.09619	11.1
149.13239	9.8
151.11159	9.8
156.78951	2.4
157.10136	7.8
159.08046	2.8
159.11693	6.4
161.13249	10.3
163.11276	5.2
165.12755	36.9
167.10591	3.0
171.11690	6.9
173.13164	3.4
175.11211	9.7
175.14799	5.0
177.03969	3.0
177.09123	5.4
177.47569	2.7
179.14313	5.6
183.11618	2.8
185.13254	4.8
189.12738	2.3
193.12132	4.7
231.21124	4.4
239.16418	4.9
241.19525	6.0
249.22191	7.1
259.20511	16.1
271.11841	3.7
273.18317	2.5
277.21603	100.0
291.19168	2.6
292.12451	3.9
295.22681	12.3
325.12637	3.7
351.25214	3.5
352.10043	2.4
365.23178	4.4
399.21545	2.9
417.22650	4.8
435.23758	37.9
453.24796	4.5
527.28467	26.0
552.91327	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	527.2848
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	4.9
55.01869	31.5
55.05505	45.3
57.03432	18.8
57.07067	6.8
59.99810	1.8
65.03933	4.5
67.01860	4.0
67.05500	75.0
69.03419	9.1
69.07066	27.5
69.25389	2.1
69.94474	13.5
71.04983	6.4
71.08627	11.7
73.02903	3.2
79.05485	52.2
81.03403	7.9
81.07048	100.0
83.04963	15.3
83.08616	38.4
85.02896	13.4
85.06519	7.0
85.10172	10.8
87.04448	2.3
91.05470	58.5
93.07037	49.3
95.01324	49.1
95.04956	17.0
95.08595	48.0
96.08905	2.2
97.02885	6.2
97.06517	18.0
97.10163	5.6
99.08083	8.2
105.07021	50.7
107.04925	5.3
107.08575	31.4
109.02866	2.4
109.06487	10.1
109.10168	19.2
111.00803	4.5
111.08067	43.8
113.02355	5.1
113.09617	18.0
117.07012	8.2
119.08568	37.8
121.10141	25.3
123.08049	8.3
123.11700	14.1
125.09635	7.1
129.01820	10.9
129.05458	11.9
129.06981	7.7
131.08571	10.0
133.06483	3.4
133.10127	31.3
135.08017	4.5
135.11707	13.5
137.09604	6.5
137.13240	5.6
139.07480	3.5
139.11186	8.6
141.01816	22.7
142.64275	2.5
143.07124	2.3
143.08539	7.5
145.10091	8.0
147.08034	4.4
147.11662	44.1
149.09622	9.7
149.13283	14.6
151.11168	9.6
153.12755	4.1
157.10167	11.1
159.02939	4.2
159.11720	5.0
161.13274	12.5
163.11140	5.2
163.14877	3.8
165.12746	37.1
167.14296	4.1
171.11716	7.7
173.13301	2.4
175.11208	10.3
175.14803	6.3
177.03937	4.2
179.10754	2.0
179.14285	6.9
180.86296	2.4
183.13693	2.5
185.13242	3.7
189.12785	3.0
193.12267	5.3
203.04855	2.2
207.13817	3.8
217.16048	2.2
221.15370	4.7
231.20964	3.8
239.16431	4.8
241.19495	4.4
249.22157	5.8
259.20624	21.3
273.18539	2.4
275.20078	2.4
277.21603	92.0
295.22809	11.7
373.23621	4.1
382.92133	2.3
387.21747	4.5
389.23199	4.6
399.22223	2.7
417.22702	5.4
435.23819	51.0
453.24622	4.0
489.52011	2.4
527.28436	50.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2843
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	3.8
55.01867	22.3
55.05506	29.0
57.03434	14.9
57.07076	8.7
60.55088	1.6
65.03918	2.5
67.05499	47.3
69.03410	7.1
69.07062	20.5
71.04970	3.8
71.08614	5.5
73.02898	2.3
73.41485	1.4
79.05488	34.4
80.01649	1.5
81.03423	7.7
81.07047	65.0
83.04969	11.8
83.08167	2.2
83.08613	23.8
85.02906	8.6
85.06516	4.8
85.10169	17.9
91.05469	41.0
93.07034	33.4
95.01318	28.2
95.04956	16.0
95.08598	36.4
97.02870	4.6
97.06518	11.5
97.10141	3.6
99.08096	4.5
105.07018	32.7
107.04953	8.6
107.08578	22.0
109.06516	8.7
109.10145	17.0
111.00772	1.8
111.08068	32.3
113.02365	5.3
113.08920	2.2
113.09643	22.2
113.33223	1.5
117.06999	5.7
119.08575	27.1
121.06488	2.8
121.10136	22.7
123.08048	5.7
123.11670	10.1
125.09599	4.2
127.03921	2.4
127.07524	2.2
129.01799	6.3
129.05460	7.3
129.06987	6.6
131.08525	6.9
133.06549	2.9
133.10117	21.4
135.08093	2.0
135.11682	9.9
137.09592	6.0
139.11121	3.4
141.01807	17.7
141.06949	2.0
142.07736	2.3
143.08553	6.2
145.10077	7.2
147.07979	3.3
147.11658	32.5
149.09612	10.5
149.13219	12.0
151.11159	6.8
153.12697	2.6
157.10135	5.6
159.02943	4.1
159.11649	3.9
161.09724	2.0
161.13237	7.3
163.11156	5.0
165.12738	41.8
171.11610	2.3
173.13200	3.0
175.11125	8.2
175.14789	5.7
177.03908	5.9
179.14284	5.4
181.12224	2.5
185.11693	1.8
185.13179	3.6
189.11198	2.1
189.12747	3.1
193.12218	2.9
193.16011	1.9
207.13794	2.9
209.11673	2.4
213.12645	1.8
217.19539	2.2
221.15250	2.5
231.21011	6.1
239.16374	3.0
241.19510	6.6
249.22171	8.0
259.20511	12.6
271.11771	1.9
277.21609	100.0
295.22644	14.9
325.12799	7.2
351.25201	4.1
353.14160	3.6
387.21255	2.3
399.21771	2.4
417.22629	5.2
435.23752	39.7
453.24710	4.7
509.27261	2.3
527.28461	33.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2846
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36109	4.4
53.03931	6.0
55.01866	31.9
55.05505	40.7
56.84134	4.9
57.03435	24.5
57.07072	20.4
61.02910	6.2
67.05500	74.0
67.41038	3.5
69.03404	15.3
69.07059	29.8
69.47500	23.6
69.47927	17.7
71.05001	4.9
71.08615	6.3
79.05489	53.9
81.03394	12.2
81.07043	100.0
83.04971	17.5
83.08615	32.3
85.02880	18.3
85.06554	7.8
85.10172	34.9
87.04462	3.7
91.05469	59.1
93.07034	53.7
95.01328	51.8
95.04960	20.5
95.08599	54.8
97.02862	11.4
97.06517	13.8
97.10154	4.4
98.21515	5.8
99.03197	3.7
99.08046	8.3
105.07022	50.4
107.04934	13.7
107.08592	31.9
109.02845	5.0
109.06496	14.5
109.10151	24.6
111.04457	5.4
111.08070	34.1
113.09647	30.3
116.04725	4.1
117.06998	14.2
119.08567	34.0
121.02869	4.7
121.10123	27.7
123.08055	11.1
123.11678	12.5
125.09585	5.0
127.03875	5.2
129.01845	9.6
129.05501	5.3
129.06963	11.9
131.08577	23.2
133.06529	4.8
133.10132	32.0
135.08041	6.5
135.11699	12.0
137.09669	5.0
139.11124	6.7
141.01811	20.2
141.06934	4.4
143.08549	6.5
145.06487	7.7
145.10083	15.0
147.04410	5.3
147.08038	7.8
147.11652	38.0
149.09619	12.5
149.13220	13.2
151.11166	12.3
155.08537	5.1
157.10136	9.5
159.02878	5.6
159.11687	4.0
161.13210	9.8
163.11191	9.5
163.14793	4.6
165.06876	4.2
165.12758	38.9
168.75087	4.0
169.10054	5.3
171.11664	8.5
173.09636	7.1
175.11168	15.6
177.03967	5.0
177.05461	6.6
177.09073	3.9
179.14211	7.7
185.09691	6.2
187.13223	4.8
193.12183	7.5
207.13942	5.2
210.61891	4.8
220.25761	4.3
221.08389	4.8
231.10097	8.8
231.21028	6.8
241.12221	5.4
241.19557	6.2
245.11871	4.1
249.11055	4.9
249.22131	6.3
259.20636	20.9
269.11774	4.4
277.21619	91.6
287.12686	19.8
289.10709	10.8
289.21606	4.6
295.22647	12.8
305.13812	11.0
305.21161	7.6
317.21188	4.5
319.22525	6.3
347.22070	8.3
361.20047	7.9
365.23380	4.4
371.22083	7.8
373.23676	17.9
389.23019	4.7
391.24509	24.2
399.21555	9.8
407.24292	16.9
417.22714	21.9
435.23700	77.3
453.24615	9.6
465.28403	20.3
499.28882	17.5
509.27274	13.6
527.28418	68.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.1596
Annotation	(-)-Indocarbazostatin B
Peak:m/z	Relative Intensity
56.96540	0.5
57.03444	1.0
57.55535	0.6
61.02916	0.9
69.03405	2.3
69.57568	3.2
69.57996	2.0
70.06574	1.1
71.50023	0.7
73.02902	1.2
74.18425	0.6
81.03413	1.0
85.02902	7.1
86.03224	1.5
97.02897	2.4
98.21511	1.2
98.97585	3.4
99.04417	0.7
112.89632	0.8
116.98603	0.9
119.01947	2.4
127.03912	2.7
142.01740	3.0
143.01938	1.1
145.01689	1.0
145.03464	0.6
145.04951	2.1
146.99692	0.7
155.01904	1.5
158.01233	0.7
158.99655	1.1
160.02765	3.6
161.02959	2.8
163.02687	1.2
170.99646	0.9
173.02966	3.1
173.04466	0.8
175.02785	1.0
175.04411	0.8
177.00690	0.9
182.99699	1.0
183.55099	0.6
184.04803	1.1
184.55040	0.9
184.98032	1.8
185.02841	2.4
185.04239	5.6
187.02803	0.8
193.05470	0.9
197.02997	1.3
201.00729	2.4
201.06140	1.6
203.03439	8.4
203.05307	11.0
204.01817	0.7
204.03955	0.6
219.01762	2.1
221.04494	5.9
222.02873	1.5
232.06688	0.7
237.02794	1.1
245.04881	12.1
246.05240	1.3
247.04906	1.3
261.02911	1.5
263.05869	1.9
264.06625	0.7
274.08191	2.4
274.58350	2.0
275.05658	1.8
279.03946	1.8
293.07288	0.9
305.06848	1.8
306.07181	0.7
321.04947	0.8
347.09619	14.8
365.10556	72.9
366.10968	1.5
367.09076	0.8
369.84549	0.6
402.36035	0.6
527.15698	100.0
528.15454	2.4
541.07898	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.4121
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05491	16.9
57.03426	15.5
57.07063	18.4
67.05504	100.0
69.07068	15.4
69.41769	20.5
69.42181	77.3
71.08620	9.8
80.27634	8.4
81.07055	47.0
89.06033	39.6
91.05476	10.6
93.07021	11.2
95.08616	20.0
109.10165	54.4
116.37887	8.0
133.08589	35.5
150.17805	7.4
173.11700	16.1
177.11230	14.6
229.14296	68.2
250.76587	8.4
327.20047	26.7
337.27255	66.7
491.37228	45.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.4314
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	2.4
57.07072	100.0
59.04995	23.6
61.75246	1.0
68.08508	0.9
69.07047	2.5
71.08627	74.8
71.18211	2.8
79.05482	1.2
83.08627	2.0
85.10178	69.7
87.04475	2.5
89.06027	44.4
97.10151	2.8
99.11720	13.1
101.09634	2.1
103.07580	1.3
106.38140	1.0
107.07092	1.6
111.41466	1.0
113.13255	5.3
117.09115	6.4
131.07054	1.2
131.55803	1.1
133.08597	44.5
155.17940	9.7
177.11212	8.3
191.12776	1.8
195.12204	1.2
213.22137	18.9
221.13857	2.8
239.14929	15.6
254.24826	1.6
271.26401	8.0
279.17834	1.2
297.19086	6.5
299.55740	1.0
327.20038	6.7
439.45981	1.1
509.40628	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	526.3373
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	11.2
67.05492	33.7
69.07052	25.9
71.04983	20.8
71.75406	9.7
81.07041	51.3
83.08611	19.9
89.06060	9.2
91.05486	21.0
92.50137	8.0
93.07051	16.4
95.08591	24.8
97.10156	16.7
105.07055	9.0
109.10125	20.0
119.04941	12.9
133.08522	10.4
135.11652	9.0
147.04411	100.0
169.15846	12.2
177.11226	10.7
219.39581	9.9
327.25256	59.6
473.29425	9.8
491.30405	22.3
525.35840	11.2
526.27686	9.1
526.35553	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	525.3995
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	4.4
57.07071	82.9
59.04997	14.5
67.05489	2.8
69.07048	3.3
71.08627	69.3
73.06566	2.9
79.05463	2.7
81.07037	2.5
83.08596	4.9
85.10175	67.0
87.04448	9.5
89.06023	100.0
93.07043	3.1
95.08597	2.4
99.11685	4.9
103.07557	7.1
107.07057	3.9
121.10143	1.8
123.71603	1.7
130.08626	3.3
131.07060	2.3
133.08592	66.4
141.16367	3.6
171.11662	1.9
177.11223	15.2
183.11702	2.1
189.97256	1.7
199.20593	3.0
239.14899	1.8
308.29648	1.9
327.20065	5.1
430.47403	2.0
525.35754	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	525.3072
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	1.7
56.59547	0.9
57.07059	3.0
61.02911	0.9
67.05491	4.9
69.07047	1.8
71.08609	2.3
79.05486	2.5
81.07052	5.3
83.08597	1.3
85.06508	1.5
86.09682	1.5
91.05452	2.2
93.07035	2.7
95.08612	4.9
99.08099	1.7
105.07009	1.7
107.08590	1.9
109.06500	11.3
109.10153	1.8
112.49720	0.9
119.08557	1.6
119.27218	0.8
121.10104	2.0
123.08054	11.4
125.72996	0.8
131.08511	1.6
133.10124	1.8
135.08043	1.5
135.11671	1.0
143.08459	1.0
145.10112	2.0
147.11674	1.6
179.14285	83.3
180.14688	2.1
184.07280	1.0
193.15942	1.9
331.26334	1.9
349.27325	100.0
350.27859	2.5
451.32626	1.0
507.29190	1.6
525.35931	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	525.3029
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47208	0.7
53.03942	1.3
55.01859	2.2
55.05264	0.9
55.05505	7.0
57.03415	2.8
61.02918	1.0
67.05495	5.3
68.80782	0.6
69.03407	3.6
69.07060	2.4
70.06571	1.1
71.04989	1.7
71.75128	0.8
72.08147	1.4
79.05487	6.5
81.03405	4.2
81.07047	9.5
83.04982	2.4
83.08627	4.7
84.04466	0.8
84.08125	1.0
85.02876	3.4
91.05465	6.6
93.07048	5.2
95.01327	1.8
95.04939	3.5
95.08592	6.2
97.02883	2.5
97.06529	0.9
97.10182	1.0
99.04440	0.7
99.08098	1.1
103.05452	1.0
105.07009	5.9
107.04922	1.5
107.08588	4.3
109.02850	1.0
109.06522	2.9
109.09499	0.6
109.10123	3.4
111.08061	1.9
117.06999	3.2
119.04919	0.7
119.08588	7.9
121.06495	1.6
121.10144	2.9
123.04431	0.8
123.08086	1.5
123.11750	1.5
125.05973	0.8
125.09690	1.7
127.03928	2.2
129.07018	2.0
131.08562	3.0
133.06468	1.4
133.10133	2.9
135.08072	2.9
135.11664	1.2
137.05951	1.2
137.09595	1.9
142.48161	0.7
143.08557	2.7
145.06502	1.8
145.10115	3.9
147.08057	2.2
147.11702	2.6
147.38623	0.9
149.09697	1.3
151.03967	1.0
151.11147	0.8
153.06960	0.9
155.08604	1.3
155.10616	0.7
157.06467	0.8
157.10106	2.5
159.08032	3.3
159.11719	1.7
161.06009	1.3
161.09645	1.4
163.07570	1.5
163.11177	0.8
165.05446	0.9
165.12785	1.0
167.08519	0.7
169.10152	1.4
171.11714	1.1
173.06023	0.7
173.09656	2.4
173.13272	1.1
174.75717	0.7
175.07416	0.9
175.11189	1.4
177.12648	0.8
181.10117	0.7
183.11707	1.2
185.09508	0.9
189.05551	1.2
189.11188	0.7
201.12711	0.8
203.05255	29.0
203.10699	1.0
207.11690	1.0
215.14336	0.8
217.08609	0.8
220.72467	0.8
231.10100	0.7
249.14813	0.9
259.13400	0.8
261.11188	1.1
271.16992	2.7
275.19815	11.8
277.17862	1.5
287.12836	1.4
287.20346	0.8
289.10712	1.5
289.18015	2.1
335.20947	0.9
345.20425	1.5
345.23972	19.7
347.25601	1.0
351.19580	0.8
363.21576	4.0
369.20749	1.1
371.22153	1.6
379.19046	1.1
387.21823	2.1
389.23611	0.7
394.44528	0.7
397.20026	1.7
405.22855	1.9
415.21402	1.6
433.22281	2.4
439.23325	0.9
451.23523	0.9
453.29993	0.7
463.27066	2.8
481.24295	1.6
497.27795	2.4
507.26123	2.1
512.24225	0.9
525.30408	100.0
526.30597	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.2694
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74204	1.2
53.03931	4.7
55.01868	13.4
55.05511	33.0
57.03435	16.3
57.07062	1.7
61.02906	2.4
65.03920	3.6
66.15954	1.4
67.05502	45.7
69.03428	10.2
69.07065	19.4
69.66183	1.5
69.93762	3.1
69.94170	9.4
70.06579	3.7
71.04985	5.5
79.05029	2.4
79.05489	44.8
80.72588	1.6
81.03403	11.3
81.07051	100.0
83.04988	9.0
83.08615	28.8
85.02918	10.5
85.06525	5.3
91.03854	1.6
91.05476	46.0
93.07043	34.2
95.01331	24.5
95.04968	15.3
95.08602	31.0
95.34671	1.9
97.02891	6.6
97.06501	9.0
97.10202	3.2
98.20795	2.1
99.04467	1.8
99.08078	3.2
103.03951	1.7
103.05481	2.4
105.04481	1.8
105.06337	2.4
105.07026	40.3
107.04971	11.8
107.08585	23.1
109.02865	3.3
109.06516	22.6
109.10167	14.5
111.08062	9.4
115.05447	3.8
117.07035	11.8
119.04941	2.4
119.08576	34.9
121.06523	8.1
121.10144	20.1
123.04432	3.1
123.08073	11.8
123.11699	8.3
125.02391	1.8
125.09623	4.5
127.03864	3.8
128.06218	4.0
128.07071	1.6
129.01828	2.1
129.05481	6.7
129.06956	11.2
130.07767	2.1
131.08557	18.6
133.06505	4.1
133.10123	20.7
135.04448	2.3
135.08034	7.9
135.11685	7.1
137.05925	3.1
137.09605	4.5
139.03894	2.0
139.11215	2.6
141.01810	10.1
141.06953	2.3
142.07767	2.3
143.08574	7.8
145.06465	6.5
145.10132	17.9
147.08038	5.6
147.11696	21.2
149.06018	2.5
149.09596	12.9
149.13261	5.0
151.03915	2.7
151.11145	5.2
155.08527	3.7
157.06519	2.4
157.10114	8.6
158.10538	1.6
159.08054	6.9
159.11708	10.0
161.09627	5.3
161.13272	3.4
163.07547	3.4
163.11139	10.0
165.09103	3.2
165.12785	10.4
167.08543	1.9
169.10083	5.1
171.07985	2.3
171.11691	5.5
173.04446	2.1
173.05907	2.2
173.09657	6.2
173.13252	5.9
175.07581	2.2
175.11142	5.0
177.03961	1.9
177.12715	3.2
178.07712	2.0
179.08482	2.8
183.11736	2.9
185.06178	1.6
185.09669	2.7
185.11681	2.6
185.13243	2.1
187.14793	2.8
189.05545	2.4
189.09171	1.8
189.11133	2.1
189.12761	3.0
191.10677	2.7
193.12259	5.8
197.09494	2.6
197.13194	3.1
199.11243	2.9
201.08963	2.5
201.16408	2.0
203.07037	1.8
205.12227	2.7
213.12752	2.2
215.10701	3.6
215.14262	2.5
217.12183	1.9
224.15613	1.5
225.09102	2.6
229.19524	3.3
236.85316	1.8
239.17934	3.2
243.10211	5.9
247.20625	3.8
257.19006	7.2
259.09857	2.0
261.11273	4.3
271.16937	5.3
275.20047	38.8
289.10742	6.8
289.18008	6.1
307.11615	5.3
325.12814	19.6
345.20547	6.1
363.14233	3.7
363.21698	9.9
369.20636	3.2
387.21481	3.1
389.37463	1.8
397.20175	6.1
405.22739	2.5
415.21078	3.6
433.22202	20.6
451.23367	8.1
525.26843	41.5
552.48279	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.2689
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02988	1.4
53.03940	4.7
55.01867	9.6
55.05503	20.4
57.03428	11.4
57.07057	1.5
59.32653	1.1
61.02901	1.8
65.03935	2.8
67.05499	38.6
68.05834	1.3
69.03407	6.8
69.07066	12.5
69.54748	12.0
70.06593	2.0
71.04990	4.2
72.08156	1.7
73.02911	2.4
79.05487	40.2
81.03411	6.0
81.07049	100.0
83.04982	7.8
83.08622	17.5
85.02904	5.2
85.06525	1.8
91.05468	31.2
93.07034	29.1
95.01324	18.5
95.04964	10.6
95.08598	29.5
97.02884	3.8
97.06510	6.5
97.10174	3.4
98.20757	2.6
99.08086	2.2
105.07026	32.0
107.04952	7.6
107.08572	17.2
109.06509	26.7
109.10139	9.1
111.00870	1.6
111.08084	6.2
113.02402	2.2
116.04704	1.9
117.07027	9.4
119.08573	27.0
121.06512	5.2
121.10121	15.1
123.08060	7.2
123.11722	4.4
125.09633	3.2
127.03889	1.6
128.06172	1.4
129.01825	3.8
129.05487	9.5
129.07005	5.4
131.08568	13.5
133.06497	2.2
133.10120	19.5
135.08069	5.1
135.11681	6.0
137.05954	2.1
137.09641	6.1
141.01839	11.3
141.06966	2.0
143.08591	3.5
145.06435	2.0
145.10081	14.0
147.08069	3.6
147.11676	26.4
149.05992	2.3
149.09583	9.2
149.13274	8.4
151.11192	3.1
155.08476	2.2
157.10085	6.2
159.08020	3.5
159.11681	8.0
161.09584	2.8
161.13283	4.6
163.11192	7.3
163.14839	3.2
165.09113	3.2
165.12740	13.9
169.10217	2.4
171.11717	3.3
173.04468	1.3
173.09639	1.9
173.13290	5.3
175.11165	6.4
177.03987	2.5
177.05498	1.3
177.09123	1.8
177.12755	2.0
183.11705	2.3
185.09644	2.0
187.11166	2.1
187.14818	2.2
189.11220	1.5
191.14227	1.7
193.12224	6.0
201.12630	1.5
215.17984	2.2
229.19580	3.3
239.18053	3.7
247.20596	4.8
257.19016	8.4
271.16711	1.5
275.20016	52.0
276.20233	1.9
289.17929	2.4
293.21088	3.9
315.19629	1.5
349.23892	1.8
363.14380	1.8
363.21713	2.3
397.19955	2.8
415.21194	2.4
433.22241	21.8
451.23306	3.9
479.67368	1.7
506.59464	1.5
507.25723	3.5
525.26825	17.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.2692
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93381	1.5
53.03929	5.1
55.01858	13.7
55.05507	38.7
57.03429	16.6
57.07045	1.8
59.04992	2.4
61.02908	5.2
65.03927	3.7
67.05498	51.2
69.03417	12.2
69.07066	23.8
69.48393	17.7
70.06590	3.0
71.04991	4.7
72.08138	2.0
73.02898	3.3
73.15224	1.7
74.97762	1.6
79.05482	49.8
81.03413	15.5
81.07047	100.0
83.04974	10.5
83.08606	34.5
84.08130	2.2
85.02899	12.1
85.06535	3.6
91.03941	2.2
91.05464	52.0
93.07033	38.1
95.01323	22.0
95.04971	14.1
95.08594	34.4
97.02891	8.4
97.06503	10.8
97.10161	11.7
98.94130	1.7
99.04451	3.3
99.08087	2.5
100.23333	2.1
103.05454	3.7
105.07021	43.9
107.04949	11.4
107.08582	30.6
109.02876	5.5
109.06499	23.9
109.10152	17.1
111.04432	3.1
111.08076	11.3
113.02374	1.8
115.05466	5.1
117.07003	19.9
119.04909	3.5
119.08569	62.8
121.06495	10.7
121.10136	19.3
123.04382	1.9
123.08042	9.1
123.11663	11.0
125.02375	2.0
125.05994	2.4
125.09583	8.4
127.03899	5.1
127.11232	2.0
128.06209	3.6
129.05457	6.8
129.06985	10.3
131.04883	4.6
131.08559	18.6
133.06516	5.1
133.10117	23.2
135.04395	3.1
135.08057	12.1
135.11703	7.7
137.05942	5.3
137.09616	6.2
137.13243	2.4
139.03894	2.9
139.07561	2.1
139.11162	3.1
141.01804	10.6
141.06992	4.8
142.07776	3.3
143.08498	10.6
145.06441	14.4
145.10123	18.6
147.04401	3.1
147.08076	8.7
147.11678	30.0
149.05977	6.5
149.09604	11.8
149.13257	6.6
151.03934	3.3
151.07478	2.0
151.11177	4.2
153.06950	1.9
153.09120	3.7
155.03238	1.8
155.08534	6.0
157.10120	14.5
159.04384	1.9
159.08047	13.3
159.11682	12.0
161.05914	3.8
161.09596	6.5
161.13252	4.1
163.03877	3.7
163.07469	3.3
163.11169	11.2
163.14885	2.6
165.05493	2.4
165.06941	3.0
165.09111	2.2
165.12779	9.6
167.07118	2.2
167.08527	2.0
169.10135	6.1
171.11668	7.0
173.05949	3.5
173.09563	8.7
173.13254	7.8
175.07545	3.0
175.11205	7.8
177.03976	3.4
177.09106	3.7
177.12721	3.8
181.10071	4.1
183.08029	3.1
183.11566	3.8
185.02879	1.6
185.06029	1.8
185.09630	3.1
185.13287	3.1
187.07674	2.1
187.11185	5.0
187.14900	3.7
189.05418	2.7
189.09201	2.3
189.11189	8.2
189.12778	4.7
189.16367	1.8
191.07036	1.7
191.10680	3.5
193.10281	2.1
193.12219	3.8
195.11572	2.5
197.09616	3.0
197.13298	3.5
199.11166	3.7
201.09189	2.5
201.12717	2.2
203.07004	3.8
203.10629	2.1
205.12090	2.4
211.11137	3.2
211.14902	2.7
213.05667	1.8
213.09171	3.5
213.12917	2.0
215.10703	5.0
215.14265	3.0
223.11337	2.4
225.09177	3.2
227.10658	2.7
227.12759	4.9
231.10106	2.8
233.08047	2.9
233.11722	2.6
239.18127	3.7
243.10193	3.4
245.11491	2.4
247.20572	3.2
247.50729	1.9
257.11743	2.0
257.19073	8.3
259.13159	3.0
261.11066	2.4
271.09628	1.9
271.16953	10.2
275.20050	45.7
287.12625	4.1
289.10724	6.0
289.18002	6.4
293.20984	3.5
305.13849	1.9
307.11746	4.2
313.17828	2.4
315.19675	1.8
327.19611	3.2
341.17404	2.3
341.21487	2.4
345.20438	12.9
349.23691	1.9
359.18454	2.9
363.14304	3.6
363.21518	10.4
369.20612	6.0
371.21838	3.3
379.18860	2.3
387.21570	5.5
389.23227	3.4
397.19980	5.9
405.22571	5.2
408.10971	1.9
415.21158	7.6
433.22195	29.2
451.23135	7.5
463.26938	8.7
489.24405	2.9
497.27203	5.7
507.26004	7.6
514.89917	1.9
525.26526	41.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60550	0.8
53.03934	3.8
55.01859	1.9
55.05502	2.5
55.98077	0.7
57.03428	1.9
66.47022	0.8
67.05504	24.8
69.03423	3.2
69.07063	2.0
70.06582	2.2
70.40484	3.4
71.04984	2.1
76.47942	0.9
79.05489	2.6
81.02940	1.8
81.03415	33.5
81.07055	15.4
84.04494	0.9
84.08128	1.4
85.02887	2.3
86.17416	0.8
91.05477	2.0
93.07037	3.7
95.04958	4.2
95.08608	9.9
97.06554	1.2
98.20840	1.0
99.04439	4.8
99.08088	1.2
107.08592	1.9
109.02876	39.6
109.06506	2.4
109.10152	65.8
110.10473	0.8
119.08582	3.6
120.27760	0.8
121.06551	0.9
121.10143	2.5
123.04413	0.9
125.05968	5.8
127.03925	4.0
136.07559	0.9
137.02454	0.8
137.09608	100.0
138.09988	1.1
140.79057	0.8
145.05029	1.3
147.04395	1.9
147.07982	1.5
151.74005	0.8
155.10663	20.5
165.09113	53.8
176.06932	0.8
183.10158	15.4
183.11691	1.2
201.11218	38.8
219.12292	1.1
309.13373	4.9
309.72989	0.9
327.14383	52.2
328.14584	1.4
330.42163	0.9
340.10532	1.1
345.15485	13.6
363.16412	2.5
447.14072	1.0
507.20627	4.0
525.17664	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	525.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.3
55.01862	2.1
55.05499	2.8
57.03435	1.3
57.97049	0.8
63.00647	0.8
67.05499	26.5
69.03428	4.3
70.06584	6.0
70.28452	4.5
71.04963	2.8
72.08138	2.0
79.05484	2.5
81.03408	39.6
81.07043	16.7
84.04494	2.1
84.08114	2.8
85.02913	1.5
86.09695	2.4
91.05466	2.1
93.07014	4.0
95.04961	4.0
95.08595	8.5
96.00158	0.9
97.06507	1.8
99.04438	5.2
99.08086	1.7
103.05437	2.3
106.92122	1.0
107.08579	2.8
109.02866	42.6
109.06497	2.1
109.10145	68.8
110.71653	0.8
119.08542	4.2
120.08105	1.4
121.10170	1.6
125.05972	6.4
127.03934	4.1
129.10216	1.2
131.04935	5.4
131.05754	0.8
136.07655	0.9
137.09601	100.0
138.09930	2.0
141.10216	1.0
147.08047	2.0
148.05165	2.0
154.50647	0.8
155.10652	20.1
163.07547	2.6
165.09096	62.5
165.23346	0.7
173.69368	0.9
183.10132	16.6
201.11206	39.2
213.07582	0.9
215.06905	1.0
219.12283	1.6
289.05270	1.1
309.13257	6.8
327.14328	50.8
345.15414	14.9
363.16284	3.2
372.87622	1.0
481.16620	2.0
507.20596	1.7
525.15649	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	525.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.5
54.55296	0.7
55.01865	1.7
55.05494	2.7
57.03427	1.4
64.04642	0.7
67.05137	1.3
67.05498	25.4
69.03429	4.0
69.07063	1.9
70.06583	10.4
71.04990	1.9
71.74440	1.2
72.08170	3.6
73.26844	0.8
79.05489	2.8
81.03408	38.3
81.07050	13.8
84.04489	4.4
84.08118	2.4
85.02891	1.5
86.09682	4.9
88.03983	1.4
91.05459	3.4
93.07027	3.3
95.04951	3.6
95.08597	9.2
99.04434	4.0
99.08096	1.1
101.07115	1.3
102.05559	1.9
103.05445	2.6
105.07011	1.2
107.08575	1.9
108.12528	0.9
109.02868	41.8
109.06480	1.8
109.10141	70.8
110.07146	2.7
110.11574	0.7
119.08593	4.3
120.08090	1.9
121.10146	2.6
125.05971	7.9
127.03891	4.1
129.10204	1.8
131.04924	8.5
136.07564	2.6
137.09598	100.0
141.10211	1.8
145.04929	1.4
147.07791	1.1
148.05180	4.5
155.08047	0.8
155.10645	24.4
163.07520	2.7
165.09097	63.8
169.09698	2.2
169.75101	0.8
183.10136	17.5
183.14877	1.3
185.05721	1.0
196.82993	0.8
201.11201	40.1
211.58572	0.8
213.12477	0.9
219.12300	1.3
227.10193	0.9
231.06131	1.0
289.05179	2.1
291.12173	1.2
309.13330	5.2
327.14352	51.6
335.44336	0.8
345.15405	14.8
363.16348	4.2
385.77744	0.8
410.23734	1.7
439.15973	0.9
465.49698	0.8
481.16986	3.9
487.69577	0.9
489.19437	1.8
507.20401	1.7
519.63177	0.9
525.15466	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	525.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	3.0
58.03997	1.1
63.42065	1.2
65.03969	1.1
67.05499	23.8
69.03402	3.8
69.71539	9.0
70.06573	6.6
72.08149	1.1
74.06096	1.2
79.05498	1.9
81.03410	40.2
81.07042	15.7
84.04504	2.3
84.08130	4.9
86.09685	3.1
91.05454	2.2
93.07038	2.8
95.04948	4.4
95.08604	8.2
98.21398	2.2
99.04432	4.4
103.05463	1.5
107.08566	3.6
109.02863	36.9
109.06516	1.4
109.10142	62.4
110.07133	2.2
119.08589	2.4
121.10154	2.0
125.05942	5.8
127.03897	4.0
129.10167	1.6
131.04936	8.8
135.08044	2.7
136.07510	1.6
137.09598	100.0
147.04428	1.6
148.05171	4.7
155.10661	20.7
155.15334	1.1
163.07533	4.2
165.09096	57.0
183.10158	15.9
201.09406	1.4
201.11194	37.6
289.05170	2.6
309.13239	5.7
327.14349	45.5
345.15445	10.7
363.16467	2.4
457.53189	1.5
481.16916	6.2
525.16010	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	524.4518
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29588	5.6
57.07072	84.9
59.04995	77.1
60.80820	5.1
71.08630	100.0
73.45248	5.3
73.53904	6.1
76.94131	5.5
85.10172	92.3
99.11729	11.9
101.09650	5.3
117.09097	34.8
117.62223	6.1
122.28260	5.1
141.16394	9.2
150.89748	5.3
199.20552	13.8
216.04321	5.4
240.23178	5.2
257.24722	36.2
421.33447	6.9
541.72717	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	524.4519
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	5.3
57.07071	100.0
58.79703	4.4
59.04758	4.8
59.04995	56.3
71.08620	72.7
76.80879	4.6
81.07050	8.0
84.33057	4.6
85.10167	57.9
97.10188	5.2
98.21449	18.3
99.11720	10.5
117.09090	16.8
155.17961	4.9
213.22049	14.5
239.08121	4.8
271.26318	10.5
342.91132	5.9
359.23236	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	524.3798
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	8.5
57.03421	4.8
57.06796	3.9
57.07068	55.8
58.00889	3.2
60.08147	10.1
63.47198	3.4
67.05505	18.0
69.03413	6.0
69.07050	11.4
70.03947	21.8
71.07345	5.1
71.08619	39.4
79.05482	3.4
81.03410	7.4
81.07048	24.1
83.08609	18.3
85.02886	12.6
85.10176	33.3
86.09692	41.8
93.07019	3.7
94.90516	3.0
95.08590	33.4
97.02876	11.2
97.10142	14.5
98.20817	3.8
99.04407	4.1
104.10732	96.9
109.02875	3.8
109.10111	17.7
119.08637	4.4
123.11700	6.8
124.99995	23.6
127.03880	10.1
137.13222	5.2
145.04945	8.2
153.59447	3.3
184.07315	100.0
186.91188	3.4
208.36049	3.7
236.60835	3.1
253.25241	45.0
275.48386	3.8
327.28949	41.9
397.29550	19.7
415.30463	33.5
464.28671	3.6
506.35983	7.1
524.25366	6.6
524.36548	32.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.3706
Annotation	2-octadecanoyl-sn-glycero-3-phosphocholine
Peak:m/z	Relative Intensity
56.05020	0.9
57.03419	0.8
57.07066	2.8
58.06601	1.0
60.08155	15.1
66.41508	0.5
67.05485	0.7
70.94846	1.4
71.07367	5.3
71.08611	2.0
75.72515	0.5
80.01589	0.5
85.10183	0.6
86.09695	46.3
95.08611	0.6
98.98448	3.6
104.10728	94.6
105.12395	0.6
119.69177	0.6
124.99988	23.2
153.13516	0.5
163.01628	0.7
184.07323	100.0
185.07651	0.6
258.11057	1.4
263.98422	0.5
341.30499	1.1
440.09924	0.5
506.36038	9.2
524.37067	33.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.3214
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63018	2.0
52.52440	1.8
55.05501	6.4
57.03428	2.1
65.03951	3.0
67.05495	29.1
69.07055	9.3
69.79242	17.2
79.05495	12.9
81.07041	29.5
83.08601	5.2
91.05482	17.7
93.07021	13.8
95.04977	2.3
95.08595	24.1
97.06519	5.6
97.10158	2.9
105.07007	3.0
107.08556	11.9
109.10136	9.7
111.08052	3.9
119.04951	17.5
119.08575	5.1
121.10127	14.1
123.11698	5.8
131.08565	6.9
133.10104	9.7
135.11673	8.8
139.11063	2.4
145.10080	2.5
145.30879	2.5
147.04384	100.0
149.13202	6.0
151.11223	2.9
158.40009	2.3
165.05443	6.8
215.17943	9.0
230.97734	2.6
233.18976	6.8
235.20622	6.9
251.20091	6.8
307.22681	4.4
325.23669	51.2
447.77948	2.0
469.79193	2.5
471.27219	3.9
478.04529	3.1
489.28302	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	524.2615
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	2.9
55.05517	3.9
57.03427	1.7
62.06061	0.5
65.03924	0.8
67.05486	4.3
69.07066	4.2
70.06575	1.2
70.17619	1.1
70.18041	1.7
79.05481	4.4
81.07047	22.6
83.04963	2.5
83.08599	2.1
84.08137	0.6
91.05482	2.0
93.07028	5.4
95.04946	0.8
95.08590	5.4
97.06514	1.8
98.20697	0.8
98.98454	0.5
105.07039	3.5
107.08582	4.2
109.06499	9.2
109.10143	2.5
111.04430	15.1
111.08105	0.7
119.08566	4.1
121.06484	2.1
121.10146	4.0
123.08025	2.0
123.11671	1.8
125.05972	4.9
131.08537	2.0
133.10100	4.6
135.08014	2.8
135.11671	4.1
137.05959	100.0
137.09560	1.5
137.13240	2.0
138.06293	0.9
139.07521	1.0
142.07726	0.6
143.08522	2.2
145.10114	1.9
147.08060	1.5
147.11668	6.0
149.09593	4.6
149.13199	0.8
151.07529	1.8
151.11142	1.0
157.10107	1.7
159.11682	1.4
161.09602	6.3
161.13217	1.7
163.11156	3.2
163.14748	0.7
165.09113	1.9
165.12756	1.2
167.10632	1.3
171.11647	1.5
175.11174	5.4
175.14738	1.1
179.10620	2.1
185.92244	0.5
189.12703	1.2
193.12108	1.0
203.17958	6.2
205.19496	0.6
213.16281	3.1
216.06273	1.2
221.18980	1.8
223.14854	0.9
231.17404	9.1
237.28619	0.5
241.15865	1.5
249.18491	5.4
276.19669	0.7
277.17957	47.9
278.18362	1.0
295.19034	13.8
320.22260	3.7
351.21628	50.3
352.21609	0.6
383.24249	42.7
384.24078	1.1
430.92780	0.5
431.18616	1.3
439.06766	0.5
474.22742	1.2
492.23349	1.7
524.26703	1.0
524.34131	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	523.2452
Annotation	Sinensol F
Peak:m/z	Relative Intensity
68.96941	1.6
69.73378	12.2
72.08134	3.6
81.07066	2.0
84.04514	2.2
98.21005	6.4
110.67328	1.6
145.97215	1.9
162.07741	2.4
247.76257	1.6
334.45575	1.7
399.78525	1.8
472.84036	1.9
507.17575	1.7
523.24506	100.0
524.24939	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	523.3631
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	18.4
57.07072	100.0
58.30057	5.8
59.04992	26.5
67.05509	36.6
69.03401	15.9
69.07053	12.8
71.04965	8.4
71.08633	65.2
71.73836	7.2
79.05476	17.5
81.03409	23.0
81.07056	42.9
83.04919	5.7
83.08611	18.0
85.02912	9.1
85.06534	5.8
85.10181	62.7
89.06026	23.5
91.05473	22.0
93.07041	33.8
95.08621	31.9
97.02898	6.6
99.11716	8.7
105.07036	19.2
107.04965	7.7
107.08582	19.9
109.02927	6.5
109.10143	20.2
117.09105	9.9
119.08568	14.5
121.10151	15.6
123.11753	11.4
131.08522	12.1
133.08623	13.5
133.10117	17.9
145.10161	11.2
147.11684	10.4
149.13252	7.4
151.07591	7.8
159.11694	6.1
184.78252	6.3
199.14928	6.2
219.30637	5.9
261.22189	8.4
283.57843	6.2
300.85721	7.7
303.23389	7.7
314.79846	7.1
369.24350	13.6
387.25632	13.0
405.26501	16.7
523.40002	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	523.2327
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97247	1.0
55.01842	0.9
61.93051	0.8
65.03922	1.2
70.06579	5.1
79.05505	1.6
84.08121	1.4
86.09702	3.3
91.05463	6.2
93.07000	0.9
94.04173	3.6
95.04993	1.3
103.05452	3.6
104.22166	1.1
105.07012	2.8
107.04954	1.6
115.05453	1.5
117.03336	1.3
117.07026	2.0
119.04943	2.9
120.08062	2.0
121.06516	1.9
122.03665	8.9
123.04474	0.9
129.07034	1.3
131.04909	7.8
133.06476	2.8
135.04375	2.0
135.08022	1.3
137.05971	100.0
138.06291	3.2
145.02893	1.7
145.06419	2.7
146.03511	0.9
147.04341	1.2
147.08044	1.6
149.05984	3.3
151.03940	2.2
151.07553	8.1
153.06972	1.1
160.05171	1.8
161.05977	9.8
162.06741	1.0
163.07545	10.6
165.06984	0.9
165.09143	1.1
167.07030	1.0
172.05176	0.9
175.07533	9.6
177.05476	3.7
178.05836	1.0
179.07146	2.1
181.06410	1.2
187.07481	1.7
189.09093	3.4
191.07071	2.7
195.07986	1.5
201.05426	1.1
201.09116	1.2
203.07036	8.4
203.10638	1.6
207.08151	1.5
213.09093	1.5
221.08067	1.1
225.09190	1.7
227.07010	1.2
227.10712	1.1
229.83556	1.1
233.09740	1.1
235.07632	1.3
237.09070	2.1
247.07564	1.1
251.07181	1.2
253.08461	1.0
257.11600	1.2
265.08603	3.7
267.10004	1.4
277.08548	1.0
282.08719	1.9
285.11151	2.3
292.11575	1.4
295.09689	1.5
297.11185	6.8
299.12817	2.0
309.11078	1.2
311.12750	1.5
328.40210	0.9
337.14481	1.2
338.12219	2.1
349.14279	1.9
351.15955	2.0
363.15991	1.9
455.18344	1.0
487.20493	1.3
523.22821	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.202
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.6
57.10458	0.4
60.13044	0.4
65.03930	0.9
67.05493	0.6
68.65656	0.4
69.03413	2.2
70.06583	2.8
71.74818	0.7
72.08147	0.6
78.39500	0.5
79.05486	6.6
80.41560	0.4
81.03404	8.1
84.04504	0.7
84.08128	1.4
85.02867	1.1
91.05463	11.2
91.88681	0.4
93.07018	1.2
95.04925	0.9
99.04443	1.1
103.05464	0.9
105.07011	5.0
107.04947	2.8
107.08578	29.3
108.33331	0.5
109.02859	5.3
109.06516	4.2
109.10155	0.4
110.07142	0.6
115.05440	7.9
117.07009	10.3
117.35410	0.5
117.63006	0.4
118.23820	0.5
119.06037	1.2
120.08052	0.5
127.03960	0.5
129.10237	0.5
131.04871	0.7
133.06427	0.5
135.08032	100.0
136.07487	1.0
136.08374	1.2
137.05978	0.5
152.42816	0.4
153.09109	1.0
161.21922	0.5
163.07523	36.5
166.13318	0.5
173.59879	0.4
181.08574	25.1
199.09547	0.5
213.07608	0.7
220.85036	0.5
283.23450	0.5
307.11612	2.7
325.12759	5.0
343.13943	4.2
468.33868	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.1963
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	15.0
55.05497	1.0
70.06583	3.9
70.18547	3.0
70.18959	1.6
79.05489	2.2
81.07081	1.0
84.08163	1.8
86.09708	2.3
91.05467	23.1
95.04958	2.2
103.05457	4.9
105.07017	14.0
107.04942	2.5
109.06549	1.2
115.05421	5.1
116.07063	0.9
117.06995	2.0
118.04134	3.5
119.04935	32.2
120.08096	1.3
121.06457	1.7
122.03638	2.2
123.04396	1.9
131.04909	6.8
133.06461	14.0
135.07977	1.3
136.05190	3.0
136.25203	1.1
137.02438	1.4
137.05951	25.0
138.06331	0.9
145.06502	1.4
146.03593	8.1
147.04393	56.5
147.07996	1.1
149.05974	3.1
150.06738	1.0
151.03889	4.3
151.07535	4.1
160.05188	3.2
161.05969	44.8
163.07527	3.3
165.06975	1.4
172.05193	2.0
175.04025	1.2
175.07526	8.0
178.07597	0.9
179.07018	100.0
180.07491	2.3
181.06445	1.7
185.05991	1.6
187.07460	1.8
188.04684	2.4
191.06984	3.8
203.07011	26.0
207.08131	1.9
207.41663	1.0
215.07011	2.2
221.06006	1.9
221.08069	3.2
223.07524	1.3
233.05917	1.1
233.08044	1.8
234.06754	2.0
235.07478	1.8
237.08804	1.0
249.09184	2.3
250.09702	1.3
251.07060	1.3
253.08556	1.7
255.11296	1.9
263.07043	1.6
265.08606	2.2
267.10193	1.9
271.09952	1.2
277.08542	2.8
278.09470	1.4
283.09720	1.6
285.11172	3.3
295.09534	2.9
297.11365	2.9
298.11951	2.5
299.12650	1.8
309.11188	3.3
310.12015	8.4
315.13239	2.8
327.12241	10.0
328.12979	8.2
370.94678	1.1
457.16336	2.8
462.16791	1.0
469.16257	1.0
523.28857	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.202
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	0.7
69.03424	1.9
69.51865	6.4
70.06576	4.2
72.08165	1.1
79.05482	5.0
81.03410	5.7
84.02604	0.7
84.04498	1.1
84.08114	2.0
85.02911	1.1
86.09699	2.0
91.05453	9.1
98.99084	0.8
99.04431	0.8
103.05470	0.8
105.07029	5.0
107.04923	2.3
107.07906	1.4
107.08587	24.0
109.02862	2.8
109.06505	2.8
110.07137	1.4
115.05454	5.7
117.07009	10.1
120.08113	0.9
131.04936	0.8
135.08041	100.0
136.07545	1.8
137.05969	1.1
153.09085	1.4
163.07529	47.1
168.34666	0.7
181.08580	39.9
182.08943	0.9
184.60938	0.6
196.91542	0.8
199.09723	1.2
200.13995	1.2
254.42082	0.7
289.79254	0.7
307.11639	1.2
325.12793	2.8
343.13800	2.3
505.36209	0.8
537.14697	0.8
541.58331	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.196
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	12.5
61.30082	1.0
61.75119	0.9
65.03939	1.3
70.06574	4.1
71.61923	2.0
72.08153	1.4
79.05452	1.2
82.88371	0.9
84.08131	1.6
86.09693	2.8
91.05461	15.1
92.71421	0.9
94.04168	1.4
95.04955	2.1
103.05476	3.6
105.07017	8.4
107.04896	2.1
112.15169	0.9
115.05415	2.5
118.04138	2.6
119.04929	23.4
120.08145	1.3
122.03624	1.8
123.04428	3.1
131.04919	3.6
132.05649	1.5
133.02794	1.2
133.06465	10.7
135.04405	1.4
136.05170	2.4
137.05969	18.9
142.70909	1.1
146.03616	5.7
147.04396	43.6
147.05589	2.1
149.06012	2.0
151.03868	2.5
151.07549	2.5
160.05165	1.3
161.05962	34.6
163.07545	2.1
164.04677	1.3
171.04384	1.0
175.07527	6.0
177.05440	1.4
179.07018	100.0
179.95689	1.1
180.07413	1.7
185.05893	1.2
194.07217	1.1
203.07004	11.1
207.08023	1.0
221.07961	1.7
223.07524	1.6
225.09164	1.2
227.14336	1.3
235.07535	1.6
237.09122	1.3
249.09163	1.4
265.08505	2.0
267.10181	2.1
277.08530	1.3
283.09503	1.5
285.11151	1.5
295.09631	1.6
296.10309	1.3
297.11124	2.3
298.11789	1.7
299.12744	1.9
309.11246	4.3
310.11847	4.7
327.12234	6.2
328.13028	5.0
457.16479	1.8
523.17664	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	523.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	2.8
69.03434	3.0
69.55023	11.4
69.55427	4.4
70.06584	5.0
81.03427	2.2
83.01097	2.2
85.02898	4.0
86.09702	3.0
88.44346	1.9
94.06559	3.2
95.01341	3.1
96.22543	2.4
97.02874	4.0
127.03907	3.6
160.60184	1.9
176.07083	2.4
184.09932	2.0
192.06514	2.3
199.08623	10.9
200.09418	3.2
209.10657	2.2
211.08635	11.9
212.09442	6.5
213.10155	15.2
214.10886	2.4
215.08148	2.1
224.10806	2.0
225.06598	3.3
225.10164	17.9
226.07324	9.8
226.10812	8.9
227.08061	12.7
227.11673	10.4
228.08795	3.3
229.09711	2.7
237.10204	4.9
238.11061	2.1
239.08180	6.2
239.11713	10.8
240.08908	4.2
240.12622	8.6
241.09645	20.7
241.13429	4.6
242.10455	7.1
245.12903	9.3
249.10185	2.8
251.11835	4.0
252.08820	3.7
253.09676	13.7
253.13470	3.4
254.10533	8.7
255.07719	3.5
255.11273	21.0
257.12930	8.5
265.09622	5.1
267.11282	25.6
268.09280	2.9
268.12030	17.5
269.09137	3.7
269.12842	5.9
271.10767	4.7
273.12360	2.9
279.11353	5.7
281.09323	6.5
281.12463	4.6
282.09903	4.5
283.10794	13.7
284.11554	5.3
285.08691	6.2
285.12311	10.2
286.09503	2.7
291.11292	3.5
293.12735	2.5
295.10803	14.2
296.11575	8.3
297.12265	10.6
299.10303	5.2
299.13831	3.0
301.11844	15.4
307.10803	4.8
309.12311	4.8
313.08191	4.1
313.11768	42.7
314.12527	7.7
315.13297	5.6
321.08823	2.9
321.12317	4.5
323.10449	6.2
323.14023	2.2
324.11252	2.4
325.11755	4.4
326.12680	3.2
327.09818	3.7
327.13406	9.3
329.11212	5.3
335.13971	6.5
337.11597	5.8
339.09769	5.7
339.13431	3.8
341.11249	14.5
342.11996	15.8
343.12939	6.5
351.13284	3.3
355.12808	12.2
357.10867	6.8
361.13947	7.9
363.13394	6.6
367.12866	5.4
369.10739	3.5
371.12027	3.5
373.13986	20.8
374.14517	4.3
375.15076	3.5
379.12827	12.2
381.14536	9.5
383.12360	3.7
385.13980	2.2
391.13126	5.1
397.14005	4.6
399.15695	8.7
401.13269	16.1
409.13934	31.2
411.15582	3.5
413.13489	4.8
425.13403	15.0
427.15024	21.5
429.12885	8.3
433.15982	4.7
437.13297	10.8
444.52002	2.1
445.16000	47.3
447.17578	3.7
455.14459	29.9
457.16125	8.3
463.17249	15.4
469.16119	14.2
473.15521	85.0
474.16150	3.0
487.17056	27.9
491.16544	42.4
505.18140	100.0
506.18484	5.9
523.19214	94.0
523.27496	3.6
524.19751	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	522.3549
Annotation	2-Oleoyl-sn-glycero-3-phosphocholine
Peak:m/z	Relative Intensity
50.07495	0.3
55.05505	1.5
56.05025	0.9
57.03419	0.5
57.07075	0.4
58.06599	1.1
60.08158	16.6
67.05493	1.5
69.07076	2.3
71.01295	0.9
71.07362	5.2
79.05473	0.4
81.07039	0.7
83.08598	1.5
86.09698	45.9
87.10029	0.4
93.07047	0.5
95.08595	1.1
97.08285	0.3
97.10183	0.3
98.97874	0.5
98.98461	3.9
103.49763	0.4
104.10732	98.0
105.11087	0.3
107.08609	0.5
109.10165	0.5
121.10091	0.5
124.20382	0.3
124.99990	26.5
139.89641	0.3
163.01471	0.6
169.52876	0.3
172.84203	0.3
181.99921	0.3
183.56169	0.3
184.07329	100.0
258.11044	1.7
280.68372	0.4
339.28915	1.4
360.01108	0.4
504.34436	9.5
522.35529	25.3
523.35651	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39809	0.7
53.03912	2.3
55.01852	1.1
56.05012	1.4
57.03408	1.2
61.02880	0.8
67.05501	3.6
67.14040	0.6
67.16010	0.6
68.99725	0.6
69.03423	8.2
69.07033	1.0
70.06583	6.4
70.45247	0.7
71.04929	0.6
71.75932	0.8
72.08157	3.9
73.02880	1.6
73.04005	1.6
74.02408	1.7
74.36405	0.5
77.08981	0.6
79.05486	38.0
81.03419	5.9
81.07043	1.2
82.06563	0.7
83.04932	0.9
84.04496	3.2
84.08137	5.3
85.02895	7.6
85.32472	0.6
86.02389	1.5
86.09700	6.1
87.00779	2.8
87.05551	0.6
88.02187	1.0
91.05458	4.1
94.06527	1.3
94.32898	0.5
95.04931	2.5
96.08122	19.2
97.02890	4.6
97.06459	1.5
99.04412	1.4
101.07103	0.9
102.05513	1.0
103.05447	0.9
105.01820	1.5
105.06947	0.8
106.05897	0.7
106.06545	14.5
107.04257	0.8
107.04948	9.3
109.02876	4.1
110.07116	2.1
115.03912	0.9
117.05733	1.8
118.05885	0.6
118.06547	6.7
120.08105	4.8
125.05984	0.8
127.03922	4.2
129.01854	0.7
129.10211	3.2
130.06487	0.8
131.04849	2.2
132.06781	5.1
133.02910	0.6
133.07596	25.5
134.06010	1.4
135.09120	2.6
136.07549	4.0
137.05971	4.6
142.08607	6.3
144.06502	1.0
145.04939	1.5
145.07590	6.6
146.05954	0.9
147.04355	1.2
151.07545	0.7
151.08647	12.3
152.07057	1.5
157.10083	1.7
159.02971	0.8
161.05962	3.6
161.07083	0.9
162.03691	1.8
162.07674	0.7
163.07509	1.2
167.08450	1.0
169.09885	0.6
172.06184	0.9
173.07068	10.2
175.07462	0.8
180.04845	0.8
187.06018	0.7
191.08176	4.2
194.09499	0.7
201.12234	0.7
203.06981	1.3
209.09241	1.3
211.12321	4.6
213.36238	0.7
221.07925	0.8
222.05782	1.7
229.13368	7.1
230.11771	0.9
234.92705	0.6
235.14452	0.9
254.04716	1.7
257.12912	3.7
261.14346	1.2
261.48117	0.7
263.10321	0.7
275.13876	100.0
276.14233	2.2
285.11215	0.9
369.02225	0.7
384.16592	0.7
437.19250	4.4
459.95587	0.7
479.20236	39.8
480.20593	1.7
505.18280	1.7
523.19214	51.1
524.19440	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.3551
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	0.2
56.05028	0.5
58.06605	0.4
59.07387	0.2
60.08157	6.2
67.05506	0.2
69.07060	0.4
69.77708	0.6
69.78133	0.7
71.07364	3.0
83.08612	0.3
86.09695	30.7
87.10019	0.4
93.07034	0.3
95.08629	0.2
95.09937	0.2
98.98450	3.0
104.10740	3.0
106.99582	0.2
124.99988	21.0
134.18863	0.2
143.01009	0.2
144.66200	0.2
147.74341	0.2
184.07324	100.0
185.07677	0.5
209.90681	0.2
285.56732	0.2
504.34738	0.9
522.35547	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2839
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.9
55.05272	0.8
55.05513	10.5
57.03435	6.7
57.07061	1.5
60.04505	0.8
60.08152	1.4
67.05501	22.7
69.06694	0.8
69.07066	15.9
71.08617	1.1
71.75897	1.2
79.05485	7.3
81.07050	24.0
83.08613	7.0
86.09701	4.7
87.10022	1.2
88.03989	5.2
91.05465	4.1
93.07032	5.8
95.08604	18.1
96.44472	0.6
97.06506	1.2
97.10169	3.0
98.98471	5.1
105.07025	2.9
106.04999	1.3
107.08580	3.7
109.10157	5.0
111.08138	1.0
111.11712	0.9
119.08576	2.9
121.10133	2.5
123.11696	2.9
125.00001	2.9
133.10141	2.9
135.11708	1.2
136.07025	0.7
137.13211	1.3
145.16515	0.8
147.11703	1.6
149.13202	0.8
161.13251	1.0
173.02153	1.0
175.14745	0.9
184.05690	1.4
184.07324	20.0
185.07680	8.2
186.07787	7.2
228.23326	1.7
245.22734	1.0
263.23709	1.6
337.27344	100.0
338.27658	2.6
350.26974	2.0
522.34186	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2487
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	2.7
55.05508	8.9
56.05028	3.4
57.03419	1.4
57.07062	1.7
58.99575	25.2
60.12888	1.3
60.99147	1.3
61.01130	1.6
64.13930	0.9
67.05499	15.3
69.03423	1.8
69.07056	12.1
70.06584	6.6
71.04980	3.7
71.08427	2.6
72.08119	2.3
73.01124	1.6
74.00665	1.3
76.01794	1.2
76.02221	18.5
76.03987	4.3
78.01809	5.7
78.02174	1.1
79.05483	11.2
80.05015	1.7
81.03400	2.7
81.07047	41.6
82.07389	4.7
83.04980	3.0
83.06089	4.8
83.08611	10.5
84.04491	14.1
84.08128	1.6
84.98158	1.3
85.02879	1.9
85.06516	7.3
86.00690	1.7
86.09671	2.7
86.99037	14.1
87.02680	1.5
87.48067	1.0
88.00220	1.3
88.02186	5.3
91.05465	11.0
93.07027	17.5
94.06570	1.1
94.07355	2.2
95.04959	2.6
95.08594	37.5
96.08139	1.2
96.08922	2.8
97.01095	2.3
97.06512	8.3
97.10159	4.7
98.93233	1.2
99.00658	1.6
99.02687	1.9
99.05564	3.7
99.08060	3.1
102.05521	1.8
103.22903	1.3
105.07014	14.8
106.07343	1.7
107.08574	15.6
108.08906	3.6
109.02836	1.3
109.06501	3.1
109.10149	8.4
110.09624	1.3
110.10432	1.8
111.02658	3.0
111.08038	5.4
113.04173	1.4
113.09599	1.1
115.07555	1.1
116.01662	63.3
117.06990	1.2
118.01263	3.7
119.08568	17.9
120.08082	3.0
120.08857	1.3
121.06438	1.2
121.10145	11.0
122.10492	1.6
123.08066	2.8
123.11724	6.5
124.11973	2.9
125.04224	1.6
129.05733	1.2
129.06543	5.5
130.04948	5.6
131.08513	2.2
133.10103	10.7
135.11661	10.4
136.12018	1.9
137.02307	1.3
137.09656	1.5
137.13246	5.5
138.09106	1.1
139.11143	1.6
142.03189	7.7
144.01126	27.3
145.06097	2.5
147.11696	1.4
148.12009	1.3
149.13248	6.4
150.13586	3.1
151.11169	1.7
159.11674	2.4
161.13243	28.2
162.02184	100.0
163.02455	1.2
163.14851	1.2
164.01738	2.0
165.41766	1.3
170.02672	2.0
177.16414	1.7
179.04877	4.4
179.14304	21.0
181.04405	1.8
181.06023	1.2
184.03221	1.1
195.13797	3.1
197.15359	21.3
215.16417	3.6
221.15109	1.1
223.16945	1.7
224.17223	2.9
229.12494	1.4
239.29480	1.1
245.05879	2.2
254.13490	1.5
255.14194	6.3
263.11685	3.4
272.14444	1.8
272.16946	2.3
273.15134	25.5
276.23923	1.3
288.23950	2.0
290.15616	1.2
290.17929	1.2
291.11133	1.6
293.12872	1.8
295.38684	1.1
299.05338	1.9
300.05823	2.8
300.16187	2.6
301.05884	2.5
302.06265	3.1
306.25055	3.5
309.12384	1.5
319.10785	1.4
325.11679	1.2
337.11816	5.6
340.15771	3.3
358.16721	12.5
369.14496	1.4
373.17773	3.6
374.18250	3.8
375.17789	22.8
376.17810	17.8
380.08429	2.6
382.08743	6.2
385.22128	2.3
386.22574	2.9
389.13635	1.4
393.20499	32.7
400.10117	1.7
447.21512	17.1
456.30203	1.4
458.22980	1.2
468.30316	1.9
486.31326	1.9
490.19614	2.1
504.23459	2.7
522.11987	1.5
522.24554	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	522.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.4
57.03429	0.8
61.02911	0.8
66.35648	0.3
69.03419	1.1
70.06586	1.0
71.71883	0.4
72.08141	1.4
73.02918	0.4
79.05489	0.8
81.03401	0.7
84.04504	3.5
84.08146	0.4
85.02896	7.8
88.83538	0.3
89.03905	3.8
91.05467	0.6
95.04955	0.4
97.02876	2.6
99.04433	0.5
107.04974	1.9
107.08586	0.7
109.02879	1.1
116.07097	1.0
117.03372	5.1
117.06998	0.3
119.04935	0.7
119.06097	0.3
126.05493	3.3
127.03905	1.4
130.06509	1.5
131.04883	0.6
132.05278	0.5
135.03357	0.7
135.04402	14.1
135.08034	1.4
137.06006	0.4
138.05528	0.5
139.03905	0.4
145.01686	0.6
145.02834	10.0
145.04929	2.1
146.05971	1.3
147.04408	1.5
159.09166	0.8
163.03889	100.0
164.04213	1.2
180.08676	0.5
181.04942	48.0
182.05281	0.5
188.07080	2.4
189.06859	0.4
197.10411	0.4
204.08716	0.6
260.10376	0.3
285.08667	0.9
301.13147	0.4
302.11328	1.9
319.13937	2.1
372.76233	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.347
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	9.9
53.85740	7.7
55.01857	15.8
55.05514	59.6
57.03428	14.0
67.05490	100.0
69.03422	35.6
69.07067	37.0
70.26915	43.2
71.05003	9.7
73.02884	10.5
79.05489	80.2
79.95583	8.9
81.03410	40.6
81.07050	96.9
83.08627	29.9
84.05621	9.7
85.02898	20.1
86.09706	14.8
91.05480	78.4
93.07046	87.0
95.04978	16.7
95.08573	58.3
97.02900	11.9
97.10149	12.3
98.20766	11.3
104.10745	14.1
105.07011	78.3
107.08590	61.9
109.02891	10.6
109.06589	8.0
109.10152	29.6
111.04483	9.3
111.08022	10.8
117.07035	37.4
119.08543	69.1
121.06534	16.6
121.10141	39.8
123.08105	9.2
125.00034	15.8
127.03943	10.2
129.07030	26.2
131.08601	52.9
133.10124	41.9
135.08058	9.2
135.11679	47.0
141.12688	9.5
143.08557	22.9
145.10112	59.2
147.08055	9.7
147.11684	42.8
149.13263	20.2
154.94188	13.2
155.08524	13.9
157.10092	21.5
159.11702	33.6
161.13243	19.2
169.10112	13.0
171.11642	26.8
172.95300	28.3
173.13275	26.0
177.12746	10.5
184.07344	29.3
185.13263	16.8
187.14870	12.0
190.96558	9.4
253.19441	9.4
257.19101	10.3
259.20572	33.2
275.20154	22.1
277.21759	11.1
283.20505	12.0
287.20032	13.0
301.21661	21.0
339.22888	9.0
367.22699	32.7
385.23779	53.0
403.24548	48.3
421.25943	25.5
493.90540	10.4
503.33279	12.2
521.34753	17.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.3318
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	6.4
54.04191	1.7
55.05505	27.7
57.03423	3.4
57.07069	9.1
61.02910	1.9
63.51751	1.8
65.03928	3.2
67.05493	34.8
69.03419	8.2
69.07061	36.9
69.70050	16.5
70.06594	8.8
71.04980	7.0
71.08617	2.6
72.08147	6.7
75.18052	1.8
78.74383	1.7
79.05479	28.8
81.03416	12.3
81.07046	100.0
83.04971	3.7
83.08626	18.2
85.02898	8.9
85.06517	3.1
86.09675	3.5
90.47226	2.1
91.05463	21.7
93.07037	60.2
95.04950	9.8
95.08594	93.8
97.02863	4.0
97.06506	11.4
97.10156	18.2
99.04469	2.3
99.08090	3.2
103.05453	3.1
105.07014	37.9
107.08576	55.6
109.02863	7.0
109.06509	6.4
109.10146	56.7
111.08057	8.6
111.11700	6.1
113.09576	2.4
114.10309	3.6
115.05407	1.8
117.06968	3.4
119.08559	47.5
121.06467	2.2
121.09264	2.5
121.10135	51.2
123.08009	4.8
123.11684	23.2
125.09628	7.5
127.03919	3.7
128.58351	2.0
129.07024	2.2
131.04883	2.9
131.08560	7.1
133.10127	41.6
135.08070	2.6
135.11676	28.7
137.05939	9.1
137.09647	4.9
137.13249	3.9
139.11215	4.7
143.08607	3.4
145.10115	9.8
147.11665	25.5
149.09662	2.7
149.13246	53.5
151.07545	2.5
151.11185	7.3
155.08420	2.7
157.10144	3.2
159.11685	14.4
161.13242	12.4
163.07536	3.4
163.14833	14.9
165.12729	7.5
165.16377	5.4
167.06981	3.1
171.11722	4.2
173.13268	5.2
175.11920	2.5
175.14842	8.2
177.12758	4.3
177.16362	9.6
179.14305	2.4
181.15977	2.1
185.13300	2.6
187.14780	4.7
189.16400	10.1
191.07101	3.2
191.17973	2.1
193.15892	2.8
195.17520	2.5
203.17935	3.0
209.15413	3.8
217.19440	2.0
229.17712	2.7
238.09506	2.4
255.06602	3.1
255.17368	3.4
257.22604	3.0
259.24258	11.0
269.22607	6.4
273.07581	2.8
273.18475	6.7
275.23740	11.6
277.25262	16.2
287.23819	12.5
293.24765	8.2
298.08807	2.2
301.05914	2.6
305.24722	38.8
323.25800	40.1
329.12164	2.0
423.33408	2.3
455.30081	4.5
467.29880	6.5
477.49203	2.2
485.30658	2.9
503.24417	5.1
521.25793	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	521.3322
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	5.9
55.05503	23.1
57.03426	5.3
57.07079	7.9
61.02914	3.8
62.58318	2.9
67.05511	31.2
69.03417	9.3
69.07066	33.5
70.06602	9.4
71.04984	11.7
71.08620	3.0
71.73704	3.5
72.08147	8.1
79.05479	27.0
81.03398	18.1
81.07051	100.0
83.08617	17.5
85.02897	9.8
85.06536	7.3
86.81263	3.0
91.05436	20.1
93.07040	73.3
93.35932	3.0
95.04954	8.2
95.08598	73.6
97.02888	9.1
97.06523	5.0
97.10176	15.0
99.04478	5.4
99.08085	3.2
103.05419	3.6
104.01788	3.0
105.07018	41.0
107.04932	3.4
107.08589	53.5
109.02855	10.7
109.06539	5.6
109.10153	55.8
111.04466	3.5
111.08050	8.0
111.11707	7.2
114.10295	3.3
117.07024	7.0
119.08579	45.3
121.06481	5.1
121.10152	34.5
123.08076	7.1
123.11694	23.1
125.09634	15.1
127.03912	12.3
127.11144	4.9
129.06908	2.8
131.04953	4.3
131.08572	5.9
133.10109	35.8
135.08049	4.0
135.11684	33.9
137.05943	17.5
137.09587	3.8
137.13216	5.2
139.11223	6.9
143.08607	4.3
143.10709	6.3
145.10094	18.5
147.11688	29.6
149.09637	4.0
149.13242	47.1
151.11165	9.2
151.14777	5.7
157.10069	5.5
159.11674	11.6
161.13266	16.6
163.07516	4.6
163.14812	15.0
165.12714	4.5
167.07013	10.5
167.14345	7.8
168.14659	3.9
173.13292	6.8
175.14804	7.5
177.16273	6.3
179.14278	5.1
185.13152	3.7
187.14824	4.7
189.09068	4.0
189.16411	11.5
193.15834	3.6
195.17389	4.6
199.14929	2.9
200.50485	3.0
203.17935	5.1
213.16367	4.7
219.17453	5.0
221.19020	5.0
259.24292	10.6
269.22647	6.0
273.18500	6.9
275.23703	11.6
277.25308	9.6
287.23715	13.7
293.24820	6.1
299.05896	4.0
305.24756	31.3
374.18387	3.3
449.29031	5.0
455.30219	7.2
467.29953	11.9
485.30649	3.3
503.24442	12.6
521.25891	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	521.3315
Annotation	Antibiotic BU 2867TA
Peak:m/z	Relative Intensity
53.03926	4.1
55.01837	4.0
55.05509	27.0
57.03414	5.8
57.07062	6.0
59.04989	5.3
67.05495	39.0
69.03407	10.7
69.07062	29.4
70.06570	12.1
70.77234	13.1
71.04976	9.3
71.08620	6.1
72.08148	4.3
75.00776	3.2
79.05486	29.7
81.03402	18.8
81.07051	100.0
83.04955	7.6
83.08631	18.8
84.08135	6.1
85.02893	15.9
85.06532	7.2
86.09695	4.6
87.00794	4.6
87.04398	4.2
91.05453	34.4
93.07037	68.8
95.04948	17.4
95.08003	5.6
95.08593	89.8
97.02858	8.6
97.06506	12.0
97.10157	11.2
99.04420	6.8
103.05443	4.4
105.07019	48.3
107.04940	4.2
107.08582	65.6
108.08121	3.8
109.02866	13.3
109.06496	11.1
109.10137	56.9
111.08058	14.0
111.11713	5.0
117.07026	5.2
119.08559	50.5
121.06541	4.8
121.10132	51.8
123.08049	10.6
123.11690	26.2
125.09582	11.7
127.03899	11.4
127.11215	4.1
128.06288	5.7
129.07037	7.6
131.08553	8.7
133.10126	41.7
135.08003	7.1
135.11673	32.4
137.05952	13.3
137.09583	10.1
137.13179	8.3
138.01605	4.3
139.11208	4.5
143.08507	12.2
145.10098	17.8
147.08076	4.8
147.11661	27.1
149.09561	9.7
149.13234	42.1
151.11195	7.7
155.08522	3.7
156.09343	4.1
157.10112	12.1
159.11681	15.0
161.09584	8.1
161.13226	17.5
163.07471	4.7
163.11195	5.9
163.14798	11.2
165.16353	4.9
167.05605	5.5
169.10130	4.4
171.11644	17.1
173.09590	4.1
173.13310	6.0
175.14787	6.7
177.09140	4.1
177.16429	6.1
185.13255	10.8
187.11200	5.8
187.14896	7.7
189.12674	4.5
189.16289	7.8
191.14238	4.1
195.11751	4.8
197.13121	4.1
213.12761	4.1
217.12100	4.3
227.17989	9.7
233.19069	4.8
255.17467	15.8
259.24176	9.8
269.22690	5.3
273.18463	61.1
274.18445	3.8
275.23770	8.7
277.25217	14.6
287.23492	5.2
293.24426	4.7
301.05692	4.3
305.24734	31.4
323.25729	36.7
467.29663	7.8
506.47250	3.8
513.99530	3.8
521.27026	4.6
522.34357	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	521.238
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49009	1.5
53.03935	5.4
55.01855	5.4
55.05508	15.6
57.03426	3.9
57.07084	2.5
59.94579	1.8
66.58104	1.8
67.05498	10.8
69.03432	10.9
69.07079	9.9
70.06577	5.9
71.04988	4.3
71.73556	3.8
73.02897	2.6
79.05499	9.7
80.45495	1.8
81.03414	14.2
81.07053	19.2
82.06553	2.7
83.04978	6.8
83.08612	14.0
84.08128	3.6
85.02905	17.5
85.06533	3.5
86.09708	3.2
87.00820	6.0
89.06009	2.7
91.03925	2.1
91.05435	12.4
93.07024	16.1
95.04976	6.6
95.08605	14.9
97.02876	10.6
97.06526	4.0
97.10142	2.0
98.09702	5.2
99.04454	4.7
100.11246	42.8
105.01830	2.1
105.07020	20.3
106.88046	1.8
107.04893	2.2
107.08585	13.6
108.23152	1.8
109.02879	8.1
109.06516	3.9
109.10138	10.5
111.04430	5.1
111.08078	7.9
117.06984	5.6
119.08551	22.6
121.06470	5.6
121.10153	6.8
123.08089	3.3
123.11736	4.3
125.09606	3.6
127.03832	10.2
128.06203	2.8
128.07091	2.4
129.06985	5.4
131.08589	7.2
133.06473	2.6
133.10129	11.1
135.08073	8.8
135.11703	5.9
137.05965	5.8
137.09634	4.8
139.07607	2.5
139.08640	3.2
141.07027	1.9
142.07770	4.0
143.08574	8.1
145.04950	2.7
145.10062	8.8
147.11674	4.3
149.09604	3.5
149.13242	3.3
155.08569	3.8
156.09355	9.0
157.10112	15.1
159.02881	6.9
159.11662	9.1
161.09686	2.9
161.13248	5.2
165.09169	3.5
166.16039	2.0
167.05687	2.1
167.07042	3.0
168.17503	32.5
169.10091	3.2
170.10847	4.2
171.11697	21.2
172.12488	2.9
173.13304	7.0
175.07536	2.3
180.06897	1.9
181.10199	2.7
182.15366	11.4
183.11670	3.4
184.12531	2.3
185.09564	2.5
185.13225	16.9
187.11177	2.4
189.12820	2.7
195.11772	3.1
197.13266	4.6
199.11256	5.4
201.12825	2.8
201.16422	2.8
209.16507	9.9
210.14890	10.4
211.14870	4.0
213.12735	3.4
213.16425	4.0
217.12218	3.0
226.19101	2.2
227.17923	29.3
237.16371	3.6
239.14490	2.2
255.17487	15.8
273.18469	100.0
294.25485	5.2
299.05923	2.1
364.88535	2.2
394.34177	5.4
453.34149	3.2
503.23203	2.9
503.39694	7.4
521.23846	5.3
521.40613	78.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2378
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21104	0.8
53.03935	4.4
53.07155	1.0
55.01859	3.6
55.05503	8.7
57.02100	0.9
57.03433	1.5
57.07065	1.1
61.02925	2.4
61.64518	0.8
65.03952	1.0
67.05500	9.1
68.99785	1.0
69.03425	10.8
69.07053	5.6
70.06590	3.6
71.04978	3.1
71.73536	1.5
72.08144	1.8
73.02877	1.7
79.05486	8.4
81.03410	14.2
81.07057	10.6
83.01289	1.4
83.04980	5.2
83.08615	7.4
84.08138	1.7
85.02902	16.5
85.06547	2.3
86.09727	1.6
87.00819	6.9
89.05979	1.0
91.03905	1.0
91.05459	12.9
93.07042	8.6
95.04964	3.5
95.08610	5.7
96.08134	0.9
97.02877	7.3
97.06508	3.8
97.10152	1.0
97.33929	0.8
98.09689	2.2
98.98467	1.2
99.04456	4.3
99.51674	1.0
100.11256	16.3
101.02410	1.0
103.05445	1.6
105.01858	2.9
105.07024	12.4
107.08590	9.3
109.02864	8.4
109.06481	4.9
109.10172	9.4
111.04417	2.2
111.08093	5.1
114.10275	1.3
115.05450	1.3
116.07083	1.3
117.01884	1.8
117.07011	2.9
119.08576	21.6
121.06501	3.7
121.10114	7.6
122.10410	1.1
123.11697	1.2
125.09625	2.5
127.03906	9.0
128.06200	2.2
129.06978	3.1
131.08571	6.2
133.06494	1.9
133.10135	8.9
135.08000	4.7
135.11711	2.2
137.05946	5.0
137.09644	1.4
141.07016	1.0
142.07802	2.6
143.08563	10.2
144.09258	1.2
145.04929	2.6
145.10097	7.9
147.07892	1.1
147.11688	3.9
149.09586	2.5
149.13258	1.7
151.07487	2.0
155.08566	3.7
156.09296	6.1
157.10112	11.7
158.10953	1.9
159.02895	4.1
159.08008	1.6
159.11690	8.6
161.06020	1.1
161.09639	2.9
161.13245	3.5
163.07567	1.5
163.11125	0.9
164.14426	1.0
165.09155	1.8
166.15936	1.1
167.07109	1.1
168.17480	12.4
169.10161	2.5
170.10902	4.3
171.10228	1.1
171.11674	20.3
172.12442	2.5
172.95030	0.9
173.09558	2.1
173.13264	6.1
175.07706	1.0
175.11285	1.1
175.14780	1.1
177.12685	1.1
181.10077	2.3
181.62488	0.9
182.10918	1.5
182.15372	5.9
183.11691	4.2
184.12447	2.4
185.13249	17.4
185.14803	1.7
186.13925	1.5
187.11232	1.8
187.14957	1.5
189.12704	2.8
193.10204	1.2
195.11690	1.6
197.13266	4.2
198.14075	2.2
199.11182	8.8
199.14867	2.7
201.12715	1.9
201.16428	2.7
203.14264	1.7
207.11679	2.5
209.13293	1.4
209.16447	3.6
210.14896	4.6
211.11188	1.1
211.14845	3.1
212.15578	2.0
213.12723	2.9
213.16394	4.2
215.14270	1.9
217.12271	2.9
222.14029	1.0
225.12775	1.7
226.19235	1.5
227.14493	1.3
227.17926	28.2
237.16400	3.3
240.15247	1.1
255.17412	15.8
273.18469	100.0
274.18768	1.5
294.25504	1.1
295.23849	1.4
297.18469	1.0
299.06158	1.2
305.25058	0.9
315.19595	1.4
340.13339	1.2
394.34360	2.0
406.24503	1.0
435.23651	1.4
453.34491	1.1
459.23779	2.0
475.23471	1.0
503.22815	2.8
503.39648	2.8
521.23804	6.3
521.32684	2.2
521.40546	30.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2171
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	0.8
56.36716	0.3
57.48127	0.3
65.03941	0.6
66.04715	0.7
67.69001	0.4
69.49203	3.5
70.06575	1.4
72.08145	0.5
79.05487	1.3
81.07036	0.8
84.08157	0.5
85.02880	0.6
86.09675	0.6
91.05437	3.1
91.81181	0.4
94.04178	4.0
95.04964	0.8
103.05454	7.9
105.07037	2.7
107.04935	1.3
109.06506	1.0
115.05443	2.8
116.06293	0.5
117.06995	1.4
117.57682	0.4
119.04944	1.1
119.08566	1.2
121.06490	1.2
122.03637	8.8
128.06223	1.7
129.07002	2.1
130.04144	0.5
131.04921	13.7
131.08479	0.5
132.05702	0.9
133.06485	2.0
135.04388	0.7
135.08023	0.5
137.05968	100.0
138.06310	1.5
141.06995	0.4
143.04872	1.1
144.05682	1.0
145.06451	1.9
146.07304	0.5
147.04407	0.7
147.08086	1.2
149.05940	1.1
150.20091	0.4
151.03946	0.6
151.07527	4.1
155.04881	0.4
156.05696	0.8
157.06436	0.5
159.04434	0.4
159.08061	4.6
160.05206	0.8
161.05983	5.2
163.07524	25.4
164.07854	0.6
165.06946	0.5
167.06978	0.5
168.05692	0.6
169.01329	0.8
171.04369	0.6
171.08054	0.7
172.05171	2.6
173.05997	0.9
175.07539	10.9
177.09079	1.6
178.07724	0.6
179.07071	0.6
179.08490	0.9
184.05196	0.8
185.05879	0.5
186.06717	0.5
187.07533	14.3
188.07990	0.5
189.09102	1.8
191.07016	0.7
191.08632	0.7
192.09323	0.5
194.07336	0.4
195.08034	0.5
199.07542	6.6
201.09081	0.5
202.07745	1.9
203.08614	2.3
204.09383	0.7
205.06451	0.8
207.08051	1.0
209.09766	0.4
215.08635	1.1
217.08447	0.8
217.10341	0.5
218.07242	0.7
219.08051	2.2
220.08846	1.3
221.09584	0.8
222.06772	0.6
227.08687	0.5
228.09412	0.8
229.10132	1.2
231.07994	3.8
232.08850	2.6
233.05998	0.5
233.09642	1.3
234.06747	0.7
235.07532	0.9
235.11201	1.0
237.09082	1.2
239.08698	0.6
239.10730	0.5
242.07343	0.5
243.08025	1.9
244.08931	0.6
245.09557	1.3
246.10391	0.7
247.07648	0.9
247.11208	1.0
248.08395	1.7
249.09076	1.7
251.10867	0.8
254.09421	0.5
256.08865	0.4
257.09692	2.0
259.07520	3.1
260.08237	2.6
261.09128	1.4
262.06131	0.4
262.09818	0.7
263.06915	0.7
263.10657	2.1
264.07907	0.6
265.08591	3.1
265.12106	0.4
266.09393	1.2
267.10168	1.2
271.07477	0.5
273.09024	1.2
274.09930	1.4
275.10596	3.5
276.07874	1.2
277.08676	2.3
279.07254	0.4
279.10123	2.1
280.07321	0.7
280.10818	0.5
281.08270	0.4
281.11719	0.9
285.08994	1.2
286.09753	0.6
288.07849	1.7
289.08603	1.5
289.12241	1.1
290.09198	0.6
291.10138	4.4
292.10852	2.2
293.08206	0.6
293.11530	0.6
294.08652	0.4
295.09805	1.8
295.12784	0.5
296.10345	0.5
297.11249	4.0
299.12805	4.5
301.08572	0.6
302.09406	1.2
303.10098	4.0
304.10742	0.5
305.08093	1.1
305.11160	0.7
307.09741	0.6
307.13229	1.4
308.10550	0.9
309.11313	0.8
311.09326	0.6
311.12680	4.7
316.11148	0.4
317.11557	2.1
319.09781	1.0
320.10458	1.7
321.11191	1.2
323.09085	0.9
323.12759	13.4
324.13495	0.5
329.11771	0.6
333.11411	0.5
334.12082	1.1
335.12756	22.1
336.13071	0.8
337.14380	0.7
348.13602	1.0
349.14389	6.3
353.13889	0.8
361.14294	1.4
366.14291	0.4
379.15063	0.5
419.88858	0.4
453.16837	0.8
473.19638	1.6
485.19543	3.1
487.28711	0.4
503.20407	1.6
521.20038	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2011
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02364	0.9
53.03934	0.7
55.05509	0.7
57.03432	0.9
61.02922	3.1
65.13460	0.5
69.03421	1.3
69.07050	1.0
70.06584	5.1
71.74724	0.7
72.08144	1.8
73.02911	1.0
77.03921	0.7
79.05471	0.8
81.03407	1.9
83.04980	1.1
84.04506	0.8
84.08128	3.1
85.02901	5.0
86.06057	3.1
86.09684	2.0
87.00839	0.6
87.06404	0.9
91.03950	2.7
95.04977	1.7
96.08123	0.6
97.02870	2.7
98.09689	1.8
99.04456	0.8
99.10016	0.6
101.05989	0.7
102.56993	0.5
103.05457	55.0
104.05816	0.7
105.07015	3.6
107.04913	0.7
109.02877	1.3
111.04460	1.4
112.11234	1.4
115.05463	0.7
116.07053	0.9
116.10736	3.9
117.11066	1.5
119.04933	1.0
120.08076	0.8
121.02813	0.7
127.03892	1.0
129.10268	0.7
131.04915	100.0
132.05257	1.8
133.06467	3.6
136.07542	0.7
137.05971	4.0
143.08896	0.5
145.04941	1.1
147.04462	1.2
161.04715	0.7
161.05984	9.2
163.07532	27.9
164.07901	0.8
175.07486	1.2
179.07019	1.0
187.07513	1.3
213.03572	0.5
213.06587	0.8
224.45976	0.5
226.14375	2.0
227.14767	1.4
231.04485	0.5
297.07675	0.9
299.05432	0.7
300.06351	0.5
311.12570	0.7
323.09125	0.8
323.13318	0.5
329.06458	1.1
341.10156	1.1
364.47791	0.5
406.20770	3.2
407.20944	6.7
521.27997	0.8
543.93866	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.3393
Annotation	2-linoleoyllysophosphatidylcholine
Peak:m/z	Relative Intensity
55.05499	0.7
56.05030	1.0
57.03432	0.3
58.06573	1.4
59.07374	0.5
60.08158	16.7
67.05499	2.8
68.73975	0.3
69.07061	1.1
70.79893	0.9
71.07367	5.9
75.21411	0.3
78.03240	0.3
78.16273	0.3
79.05481	0.9
79.34740	0.2
81.07040	2.2
83.08626	0.5
86.09697	45.2
93.07034	0.8
95.08584	1.8
98.98456	3.5
104.10732	98.3
105.11108	0.3
107.08643	0.5
109.10118	0.8
121.10114	0.3
124.99989	25.4
143.01099	0.4
181.02573	0.4
184.07326	100.0
192.46008	0.3
236.04742	0.3
255.67119	0.3
258.11053	1.3
337.27435	1.3
443.25558	0.4
502.32874	9.4
502.39908	0.6
520.33960	25.4
521.33826	0.5
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
57.29053	1.2
60.08155	16.1
67.05494	3.1
69.07057	1.8
69.63572	1.2
70.38195	4.5
70.38611	2.1
71.07361	6.1
77.44485	1.7
78.97617	1.2
81.07025	2.7
86.09699	49.2
86.18419	1.3
98.98459	3.5
104.10735	70.1
113.05569	1.3
124.99996	32.0
184.07329	100.0
187.03273	1.2
215.42578	1.3
240.58286	1.4
263.19742	1.5
293.65149	1.2
295.85574	1.6
370.75116	1.7
470.48322	1.7
502.32568	5.4
520.33917	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	520.3393
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47604	0.1
52.19269	0.1
55.05501	0.1
56.05040	0.4
57.03426	0.2
58.06623	0.4
59.07373	0.1
60.08157	6.4
67.05487	0.6
69.07067	0.3
70.34047	0.2
70.34437	0.2
71.07367	2.9
74.02758	0.1
74.36719	0.1
79.05478	0.2
81.07045	0.4
86.09696	30.4
87.10032	0.2
93.07045	0.2
95.08602	0.2
98.98452	2.8
102.35923	0.1
104.10732	2.9
109.10122	0.1
124.99989	21.7
127.62354	0.1
143.01024	0.3
184.07324	100.0
185.07658	0.4
258.10934	0.3
274.49054	0.1
337.27188	0.2
340.00113	0.1
343.67935	0.1
470.29480	0.1
502.32956	1.0
520.33893	1.6
549.42938	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	520.2959
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34801	0.7
53.03954	0.6
56.05019	0.8
57.03426	1.2
59.04996	5.9
60.69545	0.6
61.02916	2.1
69.03429	2.9
70.06587	9.0
71.05019	1.2
71.74793	0.8
71.75144	0.6
72.08138	2.5
73.02905	1.5
73.04742	0.6
73.06531	1.4
74.06080	1.2
81.03412	1.9
82.55573	0.7
83.06132	0.6
84.04508	1.8
84.08133	2.7
85.02888	7.5
86.06070	1.8
86.09706	2.3
87.04458	2.6
89.06022	100.0
91.03941	1.8
91.05832	1.3
93.06982	0.6
97.02886	3.3
97.60851	0.6
98.09709	1.4
101.05991	0.6
103.05473	6.0
103.07591	1.9
105.07030	0.9
107.04912	0.7
107.07080	3.4
109.02843	1.3
110.06033	0.7
111.04454	1.2
112.11185	0.8
116.07088	2.4
116.10720	1.8
119.08578	0.8
120.08090	1.1
127.03896	2.0
130.04994	0.8
130.08652	1.6
131.04910	11.4
133.08592	50.2
133.20674	0.6
137.05974	2.2
145.04996	0.7
147.04376	0.9
147.10139	2.4
151.09641	1.1
158.11806	0.7
161.05978	1.5
163.07584	4.6
167.05568	0.9
177.11203	17.9
179.06946	0.8
191.12773	1.9
195.12283	4.1
199.01540	0.7
221.13792	2.2
226.14355	0.9
237.11258	1.2
239.14827	4.7
261.13202	0.7
283.17493	57.1
284.17828	1.0
300.06247	1.3
327.04968	0.9
341.21677	41.3
370.09378	1.2
406.20581	3.2
471.14545	0.7
520.20789	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2744
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	2.4
55.05507	10.1
56.05025	1.6
57.03421	2.8
59.05004	1.2
61.02913	1.6
67.05514	1.2
69.03082	0.9
69.03424	4.9
69.07069	6.6
70.06586	10.9
71.04988	2.2
71.07333	0.8
71.72368	1.0
71.72768	1.2
72.08155	4.9
73.02905	1.3
73.04712	0.8
73.06538	1.1
74.06070	1.0
79.05475	3.2
81.03406	12.1
81.07047	2.6
83.04970	12.4
83.06084	0.9
83.07323	0.9
84.04498	3.1
84.08136	3.8
85.02909	9.2
86.06060	35.7
86.09715	3.5
87.00784	1.1
87.04467	0.7
91.03931	1.8
91.05460	2.5
93.07017	1.2
93.16656	0.8
95.04973	1.6
95.08568	1.6
96.08130	9.7
96.55003	0.7
97.02869	2.6
97.06520	1.8
98.09689	18.4
99.04459	3.0
101.06020	11.4
101.52857	0.7
103.03984	0.9
103.05463	13.7
104.10748	0.9
105.01847	1.3
105.07027	2.8
107.08601	1.5
108.08121	1.0
109.02874	8.5
110.09634	1.0
111.04430	17.2
112.11229	0.8
115.07562	1.0
116.07090	4.3
116.10721	45.5
117.07000	0.9
119.08543	4.0
120.08099	1.5
121.08840	0.9
121.10170	1.1
122.09672	1.5
123.11707	1.2
124.07594	1.5
127.03893	4.7
129.05467	8.8
129.10207	1.3
131.04915	27.0
133.06456	1.3
134.09648	1.2
135.08125	0.8
137.05975	2.8
137.09581	1.5
140.07036	0.9
141.09187	1.0
142.08620	11.4
145.04924	2.0
145.06406	1.0
147.06500	2.3
148.05180	3.4
148.11234	1.0
149.09691	0.8
149.53235	0.7
154.08607	0.9
155.07031	5.5
161.05965	1.6
162.12758	0.7
163.07529	14.6
164.10724	7.4
167.05603	1.2
168.07744	0.7
175.07491	1.1
180.13771	1.6
181.08647	1.3
182.15381	5.4
184.13316	0.9
190.12257	5.4
191.07062	1.1
194.11852	0.9
198.14897	2.4
208.13353	7.0
209.07834	0.8
212.16492	1.8
226.12073	1.6
226.14368	34.4
227.14798	0.8
237.11284	4.5
244.15399	1.3
273.09683	3.0
299.05951	1.1
300.06314	1.8
301.05991	1.1
325.06961	0.9
337.06860	0.9
340.21268	1.6
388.19528	5.7
406.20682	100.0
407.21091	1.9
457.10855	1.0
502.26175	2.6
520.20386	1.4
520.27692	9.9
541.73297	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2322
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95551	0.7
55.01857	1.7
55.05507	2.6
56.05016	4.7
57.84809	0.7
57.98800	0.9
58.99583	15.1
61.01141	0.9
64.78970	0.7
65.03916	0.7
66.79192	0.8
67.05499	14.4
68.05023	1.3
69.07053	3.1
69.08408	0.6
69.69639	6.6
70.02929	1.1
70.06564	1.2
71.04982	2.5
73.01129	1.2
74.00670	2.2
75.32249	0.7
76.02221	37.0
76.03983	2.6
79.05476	7.7
80.04995	1.8
81.07053	17.6
82.06564	1.8
83.04980	1.1
83.06094	2.4
83.08603	3.5
84.04503	10.5
84.08163	1.1
85.01127	1.6
85.06506	1.0
86.00650	7.0
86.99049	6.8
87.02679	2.6
88.02222	3.7
91.05473	8.0
93.07043	14.7
94.06547	2.7
95.04974	2.0
95.08587	6.9
97.01114	9.1
97.06531	2.8
97.10169	0.8
99.02674	1.4
99.05589	1.4
100.02190	1.2
102.05540	5.3
105.07020	5.4
107.04946	1.8
107.08591	8.5
108.08175	0.8
109.06525	1.2
109.10147	2.2
111.02648	6.2
111.08067	1.6
112.02193	1.0
113.98699	0.8
114.03732	1.9
114.05529	1.2
116.01665	22.9
117.07010	2.0
119.08568	1.8
121.06450	0.7
121.10120	2.7
121.98730	0.8
123.02642	2.1
123.11681	2.1
124.02193	0.7
125.04221	1.2
127.02185	1.0
127.77573	0.7
129.05643	0.9
129.06522	4.0
130.05042	4.2
131.08565	4.4
133.10121	6.8
135.11702	4.8
136.12103	0.8
137.04198	2.3
137.05884	1.1
142.03204	4.3
143.02711	1.7
144.01140	10.4
145.06023	1.0
147.11644	1.4
149.09650	1.3
149.13245	8.5
151.05788	0.9
151.11171	3.1
157.10081	1.3
159.11650	5.8
162.02193	23.9
170.02731	1.5
173.13268	1.8
177.12686	5.0
179.04845	16.6
180.08490	0.8
181.05989	0.8
183.08345	1.3
184.68742	0.8
187.05441	1.8
189.03374	2.0
191.08832	1.1
194.15454	1.3
195.13776	9.3
199.05402	0.9
201.12756	0.9
206.15410	1.1
207.12018	1.6
209.09856	0.8
212.16452	4.1
212.30695	0.8
213.14832	3.0
218.15373	1.3
223.11542	0.9
224.16402	1.9
225.13173	1.7
226.12602	3.3
233.05913	2.5
235.11455	2.2
236.16528	1.1
244.13730	2.2
245.05899	1.9
252.14127	10.0
253.12569	2.8
270.14966	19.5
271.13544	1.2
288.16272	16.3
298.14783	1.6
308.09088	2.4
312.12540	2.1
324.17865	0.9
327.17242	1.5
355.16791	2.1
356.15378	1.3
364.16232	0.8
373.17889	100.0
374.18192	1.8
391.18918	4.5
399.19290	1.4
427.18863	1.8
445.20023	5.9
502.21976	3.2
503.20056	1.1
504.24063	0.8
520.23395	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	520.1929
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	1.5
61.02911	1.2
62.78178	0.7
69.03423	0.8
70.06563	2.0
70.35352	2.5
81.03414	1.4
84.04465	1.0
84.08139	0.9
86.09676	1.6
91.05479	2.8
93.06998	0.7
94.04168	0.8
97.02869	0.9
102.04677	0.9
103.05440	1.1
105.07018	2.2
107.04952	0.8
115.05415	1.4
115.38696	0.8
117.03375	1.5
119.04931	1.5
119.08535	0.8
120.08064	1.4
122.03601	1.0
123.04421	1.1
128.06223	1.1
129.07007	1.1
129.10201	1.2
130.04095	4.4
131.04897	2.7
132.05640	1.0
133.06459	2.0
135.04379	1.3
135.11693	1.0
137.05957	13.2
138.06339	2.5
144.05708	2.4
145.06482	1.8
147.04401	6.1
147.08015	0.9
147.36769	0.8
149.05975	1.6
151.03818	0.8
153.05495	1.0
156.05589	1.2
159.08028	2.3
161.05957	10.3
162.06755	24.1
163.07539	1.2
164.07730	0.8
165.06975	2.3
166.07713	0.9
169.06444	1.2
174.06778	1.1
175.07521	3.0
176.08098	0.9
178.07738	1.4
179.08578	2.1
181.06390	1.6
182.07254	1.6
183.08089	1.0
186.06773	3.7
187.07515	8.6
188.08241	4.2
189.06998	1.5
189.09001	0.8
190.07747	2.8
191.08540	8.8
193.06435	1.3
194.07271	1.2
195.08041	1.8
198.06767	1.2
199.07529	0.9
202.07773	1.0
203.08482	2.2
204.07811	1.0
205.06441	2.2
205.08578	6.4
206.07199	1.8
207.07993	3.0
208.08928	1.6
209.09538	1.5
210.06691	1.8
211.07582	1.8
218.07246	2.2
219.08014	12.5
220.08755	3.4
221.06047	1.9
221.09552	1.6
223.07532	1.9
224.08395	1.5
225.09056	2.2
231.08028	2.6
233.06056	1.4
233.09557	2.3
234.06749	1.5
234.10263	3.6
235.07481	3.5
236.08209	2.2
237.09079	5.2
238.06148	0.9
239.07019	1.2
239.10675	0.9
243.07936	1.0
246.06830	2.0
247.07516	7.4
248.08272	4.1
249.09029	2.2
251.07014	2.5
251.10670	2.8
252.07762	2.1
252.11403	3.0
253.08609	4.4
254.09433	1.0
259.07489	1.6
261.09171	3.9
262.09851	3.0
263.06970	2.4
263.10455	1.7
264.07776	3.9
265.08481	6.3
266.09225	1.0
267.06635	1.3
267.10016	1.5
269.08084	1.2
273.08917	1.4
275.06985	1.9
276.07578	1.8
277.08661	2.0
278.09241	2.1
279.10110	6.2
280.10876	3.6
281.08115	4.3
281.11642	1.2
283.09625	1.2
289.08536	1.5
290.09314	2.9
291.10205	6.2
292.10641	1.0
293.08020	1.0
293.11572	1.2
295.09662	1.3
297.11169	3.1
304.10968	1.0
305.11841	0.9
307.09769	3.6
308.10373	16.1
309.11154	6.5
310.08667	1.3
310.11920	3.7
311.12592	2.0
322.11829	5.1
323.13171	1.1
325.10660	35.8
327.12286	1.0
328.12982	6.8
339.12262	2.0
340.13019	100.0
341.13272	1.7
373.17828	2.8
502.19131	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.3163
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	6.7
55.01852	5.4
55.05505	56.1
56.96585	2.8
57.03438	22.2
57.07064	7.0
58.99569	4.4
65.03929	3.0
65.49849	2.9
67.05495	34.3
69.03421	14.6
69.07055	40.8
70.06583	17.3
71.04992	5.8
72.08131	4.6
73.04742	3.8
76.02215	14.8
76.06636	2.8
78.15634	3.2
79.05481	28.7
81.03417	28.8
81.07050	100.0
83.04958	5.3
83.06122	3.8
83.08611	14.1
84.04489	7.8
84.08134	8.0
85.02898	11.1
85.06548	5.5
86.00621	4.9
86.09680	7.1
87.00819	4.1
91.05434	35.1
93.07034	55.9
95.04961	18.2
95.08597	64.6
97.02847	6.2
97.06532	23.2
97.10162	96.2
98.21553	4.9
99.04449	7.2
99.06493	2.6
99.08099	4.8
103.05447	3.2
105.07034	45.0
106.07344	3.2
107.04934	4.5
107.08578	52.8
109.02864	25.8
109.06501	12.9
109.10154	40.2
111.02637	3.2
111.08083	7.1
111.11716	4.9
115.05418	3.8
116.01665	5.3
116.07046	4.7
117.07017	6.7
119.04938	3.9
119.08573	42.5
120.08099	7.3
120.08901	4.7
121.06507	6.9
121.10120	47.0
122.03611	4.1
122.84908	2.9
123.08052	13.2
123.11688	34.5
125.05969	5.2
125.09636	29.9
126.10026	4.2
127.03893	8.4
129.06732	2.9
130.63475	3.3
131.04929	8.0
131.08560	12.6
133.10117	27.8
135.04398	5.0
135.07986	5.4
135.11674	42.5
137.02362	5.2
137.05957	32.3
137.09595	9.8
137.13226	5.3
139.11186	16.8
143.10672	30.7
145.10118	17.2
147.04468	4.6
147.11668	33.0
148.11986	5.5
149.05925	3.4
149.09615	12.1
149.13239	15.3
151.07579	7.0
151.11169	8.0
153.12747	18.0
155.10611	3.4
157.10103	5.7
157.12321	3.2
159.11734	16.9
161.05951	9.6
161.09665	4.0
161.13263	16.2
162.02182	7.3
163.07539	2.9
163.11168	7.4
163.14821	8.2
165.09181	3.6
165.12770	10.5
166.13069	4.5
167.05551	8.2
167.07008	6.2
167.10620	15.0
168.11052	6.8
169.12199	4.4
171.10182	5.7
173.13217	9.9
175.07581	4.6
175.11163	7.7
175.14839	11.9
175.54973	3.2
176.11597	3.5
177.05544	4.8
177.12709	7.3
179.04889	10.2
187.07492	7.3
187.14804	14.0
189.01828	5.6
189.11211	15.9
189.16368	4.3
191.14412	3.8
193.12286	8.1
195.02928	5.0
203.03365	7.6
204.06541	4.2
205.15865	4.3
207.02902	4.2
209.15401	6.8
211.07692	3.1
211.13261	43.7
212.13632	40.1
215.03432	4.1
226.10860	15.4
233.05969	4.3
235.16928	10.2
241.19653	3.2
253.18002	8.9
267.06607	4.3
270.15247	3.7
271.19086	3.8
283.06052	16.3
285.22174	13.2
288.16309	5.5
291.23038	14.2
295.05963	9.9
297.07434	3.6
299.06003	12.9
303.10547	4.6
303.23135	37.2
305.08185	3.9
307.06293	3.7
308.09207	7.3
309.09442	4.5
311.05447	24.1
313.06921	14.3
315.14432	19.3
321.07410	4.2
321.24182	28.4
323.05457	12.7
325.07147	11.5
333.15414	3.3
337.07098	24.4
339.05011	8.5
341.06500	10.6
344.97864	5.7
349.07086	25.9
350.07452	3.6
357.05600	4.2
361.07071	5.5
363.08728	6.4
365.06503	13.2
367.08072	6.3
373.17886	17.7
375.09000	4.1
377.06671	15.0
378.06494	4.0
379.08115	5.9
381.10095	5.8
387.17706	7.8
395.07806	5.8
399.06955	16.5
411.06735	4.7
429.08316	5.9
453.07782	26.0
454.08276	3.8
465.12598	4.0
465.28323	10.3
471.29471	14.2
483.08307	23.1
483.29419	19.6
484.09772	5.9
487.13104	5.5
501.19696	5.1
501.30295	7.2
519.19525	10.1
520.20398	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	519.3162
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	6.7
54.68087	3.1
55.01860	2.9
55.05507	44.1
57.07079	5.7
58.43441	2.5
58.52827	2.5
58.99580	15.2
59.04985	3.7
67.05504	37.8
69.03428	17.2
69.07059	43.2
69.43653	13.6
69.44079	17.6
70.06555	3.7
71.04982	3.4
76.02219	19.5
79.05481	16.1
81.03407	36.8
81.07045	75.1
83.04984	5.4
83.08614	10.1
84.04479	6.8
85.02905	4.5
85.06519	10.4
86.00626	3.9
88.02252	2.5
91.05455	16.8
93.07038	44.8
95.04955	21.0
95.08598	54.6
97.01132	4.2
97.06517	8.3
97.10158	100.0
99.04462	5.2
99.08104	5.4
102.05541	3.8
105.07021	25.8
107.04961	3.9
107.08566	27.2
109.02868	31.0
109.06514	5.9
109.10149	34.1
111.08073	4.7
111.11700	9.2
113.04230	2.5
116.01663	14.0
117.07005	4.7
119.08567	18.6
121.10123	47.8
123.08006	4.0
123.11691	24.3
125.09581	14.3
127.03844	5.2
129.06622	3.5
131.04971	2.9
131.08551	11.0
133.10112	18.6
135.11682	16.6
137.02414	5.2
137.05960	8.5
137.09602	6.2
137.13222	5.5
139.11186	20.6
139.12114	2.6
142.03238	4.4
143.10681	32.5
144.01154	7.0
145.10114	10.2
147.08051	4.7
147.11656	13.7
149.13252	12.7
151.11201	6.2
153.12852	3.5
157.12199	11.2
159.11713	20.6
161.13222	11.6
162.02209	14.1
163.11185	3.8
165.01833	4.4
165.09088	3.9
165.12781	10.4
171.10220	4.3
173.13255	4.3
177.12767	5.5
179.04852	12.6
187.14818	7.1
189.11197	10.8
189.12756	3.3
191.14255	3.6
195.13805	9.4
218.88002	3.1
233.19191	3.5
247.16882	3.2
252.13927	2.9
253.12511	3.1
270.14835	13.0
271.06015	6.6
274.97867	3.7
275.23672	6.6
285.22092	6.1
287.05597	3.1
288.16290	12.3
291.23120	6.9
299.05524	20.7
300.06070	4.1
303.23096	25.2
311.05429	13.0
312.12564	3.5
315.14240	17.5
321.24188	33.8
325.07266	4.6
329.06583	25.7
329.15799	9.9
337.07220	8.0
339.25287	3.3
351.08643	10.0
355.16544	3.4
373.17886	78.8
379.08170	31.7
397.09164	32.6
398.09259	5.3
445.19827	4.6
465.28571	5.4
471.29471	6.5
483.29550	27.9
501.30472	8.7
519.31659	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	519.3102
Annotation	Sampsonione B
Peak:m/z	Relative Intensity
50.30198	1.5
53.03933	3.6
55.05494	2.5
57.07069	3.4
57.99051	1.3
60.20504	1.4
62.05015	1.3
67.05500	4.2
69.07050	2.0
71.08625	1.4
71.46560	2.8
71.46910	1.9
79.05460	4.1
81.03412	3.4
81.07051	5.9
91.05466	2.6
93.07038	3.6
95.04929	2.8
95.08598	3.2
105.03394	42.3
105.04475	1.7
107.08611	2.8
109.02887	9.3
109.10168	2.2
113.00018	1.4
119.08591	2.2
123.11699	2.1
147.11694	2.1
151.07570	1.6
161.09496	1.7
163.03946	2.0
165.01852	1.7
171.11795	1.5
177.01848	15.2
181.04935	2.0
183.02876	1.8
195.02879	100.0
207.13824	1.5
219.10146	10.3
232.00789	1.5
243.06549	1.7
255.06499	54.6
285.14972	2.0
311.12778	33.2
323.12750	1.6
333.27151	1.3
341.21066	2.7
377.17465	34.1
379.19022	5.2
395.18805	1.7
433.23740	1.5
440.20792	1.7
445.23721	3.2
519.20404	2.2
519.33112	1.7
519.40466	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	519.2011
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.6
65.03928	0.7
66.04720	0.6
68.14574	0.5
69.03416	0.6
69.51836	1.4
69.52260	2.8
70.06591	0.9
71.22572	0.4
73.04758	0.5
73.35587	0.4
79.05464	2.4
91.05413	4.5
93.07078	0.5
94.04181	3.7
95.04961	0.6
97.72202	0.4
100.11240	1.6
103.05439	2.8
104.06248	0.7
105.07021	7.9
107.04951	1.9
109.06476	1.0
110.07188	0.5
115.05449	5.2
116.06209	0.8
117.06992	1.9
118.04179	0.7
119.04926	1.5
119.08566	2.7
121.06482	1.7
122.03643	9.5
127.90980	0.5
128.06215	3.4
129.06993	4.6
131.04915	3.8
131.08565	0.8
132.05702	3.4
133.02765	0.6
133.06485	7.3
137.05965	100.0
138.06276	0.7
141.06941	1.1
143.04903	0.6
144.05702	2.0
145.06494	2.1
146.03574	1.8
147.04395	1.6
147.07997	3.9
149.05927	2.8
151.03891	1.5
151.07536	2.1
153.05623	0.6
153.06969	1.1
155.04874	1.2
155.06036	0.7
156.05716	1.3
156.21422	0.5
157.06429	1.0
159.04457	0.6
159.08046	5.8
160.05177	2.4
161.05959	17.9
161.09630	0.6
162.06671	1.0
163.07498	1.3
165.07004	4.1
166.07785	1.3
167.05565	0.9
167.07039	1.2
167.08485	1.0
169.06435	0.6
171.04358	0.7
171.07973	0.9
172.05165	5.2
173.06026	0.9
174.06705	0.8
175.07533	27.3
177.05586	0.7
177.07021	1.4
178.07747	1.1
179.06999	1.2
179.08566	1.6
181.06454	1.5
182.07224	1.3
184.05197	2.3
185.05980	1.2
187.07527	19.9
189.07008	1.1
189.09055	0.9
190.07788	1.4
191.08566	0.7
193.06480	2.4
194.07254	6.0
195.08046	1.5
197.05817	0.5
199.07530	12.0
202.07764	2.2
203.08574	2.1
204.09299	0.6
205.06535	4.6
206.07230	1.2
207.08087	1.5
209.09590	1.2
210.06731	2.0
211.07498	1.0
213.09068	0.7
215.08528	2.8
217.06590	0.9
217.08598	1.5
218.07309	2.0
219.08138	3.1
220.08839	1.0
221.06001	4.2
221.09573	0.8
222.06737	3.6
223.07474	1.6
224.08308	1.1
225.09154	3.0
227.08624	0.9
227.10564	0.7
228.09544	0.5
229.06354	0.9
231.07982	2.2
232.08789	1.6
233.06035	2.5
233.09485	2.4
234.06761	1.9
235.07573	2.9
235.11206	0.8
236.08267	1.0
237.05495	0.8
237.09099	6.0
238.06245	1.0
239.06880	0.9
239.10609	0.5
243.08029	2.7
244.08902	1.0
245.05937	0.8
245.09647	0.7
246.06750	1.3
247.07607	2.5
248.08199	1.0
249.09084	4.0
250.06311	1.3
250.09743	0.6
251.07103	1.7
252.07840	1.1
253.08563	3.6
254.09306	1.1
255.10324	0.6
256.08783	0.7
259.07535	1.8
260.08301	1.9
261.09030	3.8
262.06180	1.5
262.09778	0.8
263.07043	1.1
263.10718	1.2
264.07846	0.6
265.08572	13.9
266.09225	1.3
267.10046	3.2
269.07993	0.8
270.08823	1.1
271.07550	1.7
272.08194	0.8
273.08826	1.1
273.11472	0.8
274.06235	1.1
274.09552	0.6
275.07025	1.1
275.10602	1.5
277.08560	4.9
278.09390	1.6
279.09824	0.6
281.08249	1.0
281.11575	0.7
282.08954	0.9
283.09601	2.9
284.10620	0.6
285.08453	0.9
285.11249	12.5
287.10684	0.9
288.07819	1.3
289.08438	3.5
290.09381	1.1
291.10345	1.7
292.07248	0.8
293.11707	1.5
294.08832	1.0
295.09637	2.0
297.11200	20.7
298.11591	0.7
299.06131	2.6
300.07904	0.6
301.08548	1.3
303.10028	3.4
304.10959	0.7
305.08466	0.8
305.11819	1.0
307.09717	1.5
308.10913	0.6
309.11203	5.5
310.11743	1.5
315.12811	2.3
318.10159	0.7
319.10934	0.7
320.10553	0.9
321.11218	7.9
322.11966	1.2
323.12643	4.9
327.12161	0.7
333.11218	1.7
334.11533	0.6
335.12952	6.6
340.12964	1.0
347.10056	0.7
347.13132	1.4
348.11407	0.9
359.10492	0.6
360.11270	0.5
363.10202	0.8
364.10809	1.2
365.13879	0.6
376.11145	0.7
379.13290	1.2
391.13071	0.6
393.11145	1.2
396.13824	0.7
399.16135	0.8
407.12802	2.3
408.14035	0.5
411.15942	1.8
419.12494	0.9
424.13129	0.5
427.15433	1.5
439.15472	5.3
440.16010	0.9
450.88718	0.5
451.15488	3.0
452.15884	0.7
459.18173	5.4
468.15717	0.8
471.18057	9.4
483.17917	1.8
489.18771	0.8
501.18918	1.4
519.19897	0.9
519.38959	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.201
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.6
55.69728	1.3
66.12463	1.3
71.04696	2.8
71.05035	1.5
79.05486	3.7
80.72086	1.6
83.79550	1.4
91.05441	12.0
94.04157	5.0
103.05449	5.3
103.90742	1.4
105.07021	14.9
107.04923	2.3
114.01513	1.3
115.05413	8.1
116.06231	2.2
117.07002	5.4
119.04913	8.7
119.08545	3.6
119.34203	1.3
121.06495	3.2
122.03604	8.2
123.77453	1.5
128.06223	6.2
128.49364	1.4
129.06996	8.6
129.15456	1.6
131.04877	6.9
131.08557	2.3
132.05722	3.4
133.06480	8.9
137.05965	100.0
144.05698	4.0
145.06480	5.4
147.04382	2.3
147.08023	4.4
149.05997	4.5
151.03853	1.8
151.07545	5.9
155.04892	3.1
156.05717	2.8
159.08006	16.2
160.05196	3.7
161.05959	31.0
162.06757	2.2
163.07547	3.9
165.06998	4.3
166.07773	1.7
167.07042	3.6
168.05818	1.4
171.07883	1.6
172.05144	15.0
174.06787	3.3
175.07533	32.6
177.09134	2.2
179.06966	2.5
179.08511	1.8
185.05988	5.1
187.07532	48.1
189.07066	2.1
189.09024	2.0
191.07005	2.5
191.08577	2.1
193.06425	2.2
193.30038	1.6
194.07243	6.7
199.07487	14.4
201.09061	2.9
202.07867	2.9
203.08595	3.7
205.06456	4.0
207.08023	2.0
209.09709	1.7
210.06783	1.6
211.07513	2.1
215.08565	3.9
216.07724	3.1
217.08556	6.5
218.07231	4.2
219.08026	4.9
221.05975	5.7
221.09592	2.7
222.06699	4.2
224.08282	2.0
225.08946	2.5
231.08081	5.6
232.08833	3.4
233.05988	2.3
233.09605	2.1
234.06738	2.1
235.07515	5.1
235.46556	1.6
236.08325	1.7
237.09131	5.5
239.07065	1.6
243.07974	3.2
246.06773	2.9
247.07533	3.5
248.08342	1.6
249.09129	5.8
250.06230	2.3
252.07726	2.0
253.08513	2.8
259.07553	3.1
261.09183	7.5
263.07156	2.4
263.10379	1.7
265.08615	19.0
266.09280	3.0
267.10132	4.1
270.09058	1.7
271.09885	1.7
273.09055	2.4
275.07181	1.9
275.10654	4.4
277.08545	7.2
278.09421	2.9
279.10068	2.6
281.11661	2.3
282.08829	2.3
283.09656	7.1
285.11258	10.8
287.10544	2.1
289.08582	6.3
291.10104	4.7
293.11774	4.5
294.08780	2.1
297.11179	23.3
303.10101	4.0
306.09052	2.2
307.09598	3.2
309.11310	6.9
310.12064	2.8
315.12592	15.2
320.10425	2.3
321.11234	18.2
323.12698	7.8
332.10596	2.0
335.12845	14.5
340.13113	1.7
347.13043	7.4
365.13696	4.6
377.13861	1.8
407.12683	2.1
427.15558	1.9
439.15402	5.1
451.15036	2.7
457.16327	1.5
459.17981	7.8
469.16330	1.8
471.17902	11.2
483.18192	3.2
489.19159	7.3
501.18887	6.1
519.20099	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	519.2011
Annotation	Unknow
Peak:m/z	Relative Intensity
61.01199	1.8
64.16650	1.9
71.04563	3.9
71.04903	4.1
79.05474	3.0
89.05481	1.8
91.05446	14.3
94.04160	3.3
103.05463	5.9
104.29710	1.7
105.03439	1.7
105.07037	11.6
107.04929	5.2
109.02764	1.7
109.06496	3.0
110.81455	1.7
115.05450	8.8
117.07013	6.2
118.04155	1.8
119.04927	12.4
119.08557	5.6
121.06506	5.1
122.03616	8.2
128.06215	4.6
129.06992	8.2
131.04889	11.8
131.08580	2.6
132.05652	4.8
133.06482	7.7
137.05966	100.0
143.04971	2.1
144.05684	5.9
145.06488	9.3
147.04372	5.6
147.08038	7.3
149.05962	7.6
151.07516	9.1
155.04889	3.4
156.05679	4.6
159.08063	11.8
160.05135	4.9
160.90347	1.8
161.05956	32.0
163.07542	7.9
165.06992	6.7
166.07745	2.8
167.07043	4.0
168.05707	2.2
171.08118	3.4
172.05159	7.1
173.05966	3.8
174.06744	4.5
175.07527	38.7
177.09100	5.6
178.07822	2.7
179.07016	4.1
179.08560	2.8
184.05122	2.4
185.05988	6.5
187.07526	44.1
189.07082	3.2
189.09103	2.7
190.07780	3.7
191.06958	6.4
191.08569	3.6
193.06459	3.3
194.07260	8.6
195.08057	2.8
199.07518	21.2
201.08983	4.2
202.07840	3.1
203.06931	2.7
203.08591	5.8
205.06497	5.2
206.07214	2.7
207.08069	4.1
209.09520	2.1
210.06732	3.6
211.07558	4.8
215.08528	5.7
216.07776	4.1
217.06525	3.0
217.08551	4.1
218.07283	6.6
219.08041	6.9
221.06003	5.6
221.09544	4.3
222.06769	9.6
224.08356	2.6
225.09074	5.8
231.08025	5.6
232.08789	5.1
233.06012	3.6
233.09575	4.5
234.06709	4.3
235.07494	5.4
236.08252	3.3
237.09038	10.0
239.07039	2.8
240.07704	2.1
243.08142	3.3
245.05914	2.6
246.06715	5.2
246.57643	1.9
247.07500	5.3
249.09030	7.7
250.06049	2.0
251.06976	3.5
252.07896	2.2
253.08537	7.1
259.07425	5.1
260.08450	3.1
261.09067	10.0
263.07010	3.2
263.10757	3.7
265.08542	28.5
266.09296	2.8
267.10156	5.8
268.07312	2.8
270.08920	2.6
271.07388	4.6
271.09949	2.6
273.08972	2.9
275.07169	2.1
275.10620	5.7
276.08011	2.8
277.08466	9.2
278.09299	5.2
279.10120	2.7
281.08109	2.6
281.11581	4.7
282.08780	3.3
283.09692	11.1
285.11313	15.8
289.08560	7.8
290.09467	2.6
291.10233	6.2
293.11612	4.5
294.08722	2.5
295.09525	3.1
297.11203	35.1
299.06378	3.7
303.10202	5.9
305.08200	2.8
307.09952	2.9
307.13535	2.0
309.11230	13.7
311.12851	2.4
315.12509	28.3
321.11206	29.8
322.11951	2.4
323.12720	5.6
332.10324	3.0
335.12781	24.8
347.12827	15.7
365.13910	6.0
377.13651	3.9
411.16052	2.5
439.15305	5.0
459.17883	8.2
471.18076	11.8
483.18124	2.9
489.19006	15.1
501.18909	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	519.2013
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01849	4.2
58.41843	2.0
70.06577	4.5
70.94041	4.3
79.05494	5.7
84.08153	4.0
86.09708	6.3
91.05450	15.0
94.04174	3.1
95.04988	1.9
103.05473	17.0
105.07018	14.3
105.40278	2.1
107.04943	3.7
111.64758	2.2
115.05450	8.7
117.06946	3.4
118.04171	3.3
119.04957	7.3
119.08568	3.1
121.06552	5.0
122.03656	8.1
125.93197	2.0
128.06219	5.3
129.06999	10.0
131.04915	27.3
132.05725	3.8
133.02907	2.3
133.06435	12.9
137.05968	100.0
144.05673	4.0
145.06474	4.5
147.04420	8.1
147.08060	8.8
149.05969	8.3
151.03818	3.0
151.07573	6.4
155.04924	5.3
157.06563	12.2
159.08032	17.9
160.05251	6.3
161.05974	51.3
161.07329	2.9
161.09541	2.8
163.07544	21.6
165.06953	4.9
172.05220	13.3
173.05875	4.2
174.06776	3.5
175.07533	37.8
175.42203	2.1
177.05501	5.9
177.09106	4.2
179.07021	4.9
185.06027	7.0
186.06732	2.9
187.07521	57.6
189.09149	8.2
190.07787	3.8
191.07095	8.6
194.07195	3.1
199.07504	14.1
201.05450	2.4
201.09084	3.5
202.07774	3.0
203.07045	11.8
203.08662	3.5
205.06680	3.1
206.07281	2.4
207.08200	2.8
211.07576	2.8
212.72574	2.4
215.08730	3.0
217.08571	29.0
218.07210	4.0
219.08087	4.0
221.06102	5.7
221.09781	2.7
225.09003	2.6
231.08087	4.3
233.05864	3.3
233.09621	4.5
234.06747	3.8
235.07622	3.0
237.09077	4.5
243.08215	3.6
246.06775	3.9
247.07497	5.0
248.08430	4.4
249.09109	6.8
250.09880	2.9
251.07065	3.1
253.08655	3.7
259.07651	3.8
261.09109	8.3
263.07208	5.9
263.10568	4.1
264.07852	3.7
264.34369	2.6
265.08527	15.8
266.09366	2.6
267.10168	5.1
271.07379	2.9
272.08206	2.8
273.08969	3.7
274.06433	2.7
274.09732	2.5
275.06900	3.6
277.08652	7.8
278.09216	2.5
279.10059	2.6
281.11838	4.3
283.09726	9.6
285.11340	9.9
287.10776	2.9
289.08585	6.5
290.09189	2.5
291.10211	6.4
293.07928	2.8
293.11459	4.1
294.09015	2.9
295.09882	2.7
297.11237	17.3
303.10208	6.6
305.08328	2.2
305.11749	2.5
307.09540	5.3
309.11237	10.9
315.12646	13.5
319.09555	3.6
320.10434	4.1
321.11124	24.6
322.11957	2.7
323.12723	8.1
332.10165	2.2
335.12808	16.7
339.12143	4.9
340.13284	3.8
347.12814	17.6
365.13702	6.9
377.13675	4.7
379.08221	3.4
398.44855	2.2
415.03860	3.2
459.17902	4.2
470.16913	2.6
471.18109	9.6
483.17920	4.1
489.18945	7.3
501.19083	21.7
519.19659	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	519.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.7
55.01854	0.8
55.05491	1.3
57.03415	0.7
58.99584	3.1
65.03925	1.0
65.95737	0.5
67.05495	1.6
69.03408	2.0
70.02029	1.0
70.02439	2.0
70.06582	2.8
72.08135	1.6
73.02919	0.6
76.02219	14.8
77.02534	1.3
78.01780	0.6
79.05482	2.1
81.03413	4.4
81.07055	1.3
83.04956	1.3
83.08583	1.3
84.04507	4.0
84.08109	0.8
85.02891	1.8
85.04820	1.1
86.99051	1.0
89.03900	0.7
91.05470	1.8
92.05791	1.0
93.07031	2.2
94.06568	1.0
95.04919	1.3
95.08564	1.1
96.08109	2.3
97.02901	1.0
98.09678	0.8
99.04458	0.9
103.05451	0.8
105.07019	1.1
107.04962	1.2
108.08096	2.5
109.02864	1.2
109.10134	0.7
110.09668	4.7
114.10229	1.0
116.01656	3.3
116.04982	4.6
119.08552	1.2
119.55284	0.5
120.04426	0.5
120.08087	3.6
121.10140	1.1
122.06041	3.6
130.04974	1.9
131.04895	0.6
134.05965	0.6
134.60060	0.6
136.07550	5.3
137.05957	5.9
138.09138	5.7
142.03246	1.3
144.01140	1.7
144.04436	10.6
146.05995	1.7
148.03929	1.6
148.07562	2.3
148.12061	0.7
150.09148	0.8
158.09273	0.6
161.05968	1.8
162.02190	5.5
162.05453	4.8
163.02454	1.9
166.08629	12.0
172.03925	52.6
174.05478	1.5
175.07562	0.8
179.03328	1.1
179.04822	9.8
180.05177	2.9
190.04967	10.5
193.12126	0.9
194.12561	1.3
204.06548	100.0
205.06886	1.2
211.13286	1.7
212.13640	1.7
222.07520	0.9
231.13287	0.7
233.05882	1.9
234.06157	1.6
244.15399	0.8
251.11710	0.6
277.08578	0.7
291.06186	0.7
295.05859	0.8
297.11734	0.8
299.06046	1.7
308.09079	5.4
309.09290	4.4
311.14255	0.6
325.11780	2.4
329.14871	2.2
334.09216	3.4
335.08768	0.6
339.13257	1.6
343.12750	1.3
347.12802	1.3
357.14474	11.1
399.06326	0.6
469.16052	0.7
483.12387	0.9
487.17151	0.8
501.18872	1.1
519.19019	3.0
519.30255	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	519.1495
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.8
55.01864	6.5
55.05502	19.5
57.03423	2.8
59.04983	1.9
61.02911	2.0
65.03930	2.8
67.05503	13.3
68.05855	1.9
69.03416	4.4
69.07060	17.4
69.61942	8.2
69.62355	5.6
70.06577	2.9
73.54991	1.6
76.02220	1.6
77.03960	1.7
79.05499	11.8
81.03411	11.5
81.06597	3.1
81.07047	39.1
83.04980	5.1
83.08618	3.7
85.02897	3.6
85.06540	3.8
85.28670	1.4
86.09698	4.5
87.04473	5.0
91.05413	8.5
92.05794	2.0
93.07037	26.6
95.04981	8.3
95.08595	32.4
97.02914	2.5
97.06521	7.2
97.10159	23.2
98.20634	3.6
99.04414	1.9
103.05431	2.0
105.03378	20.3
105.07030	17.0
107.04958	2.5
107.08586	22.6
109.02883	8.1
109.06506	6.7
109.10144	21.6
111.08083	4.0
111.11741	2.5
117.07005	3.1
119.08563	20.1
120.08942	1.9
121.02876	3.3
121.06502	2.3
121.10125	26.3
121.86331	1.8
123.08117	4.0
123.11681	13.6
125.09634	6.2
128.06253	1.7
129.03348	4.0
129.07010	1.8
131.04939	2.4
131.08566	4.8
133.10071	10.9
135.11659	11.2
137.05937	9.6
137.09616	4.7
137.13240	1.8
138.98186	1.6
139.11139	8.5
143.10667	3.5
145.10109	9.0
147.04399	2.3
147.08084	2.1
147.11673	15.9
149.09657	3.4
149.13245	5.4
151.11172	4.1
153.12682	2.9
156.09468	2.1
157.10078	3.3
157.12207	4.3
159.11644	11.1
161.06009	3.5
161.13182	4.6
163.11147	3.2
163.14825	2.0
165.12819	3.6
167.05527	2.1
171.11650	2.0
173.13254	3.7
175.11220	2.9
175.14841	5.0
177.05484	1.9
177.12733	3.6
177.16319	2.8
185.06010	1.8
187.07587	3.1
187.14981	2.5
189.01857	3.8
191.03424	2.3
191.14340	1.7
195.02943	4.7
195.13846	1.9
201.16199	1.9
203.03418	12.3
205.15897	2.1
207.02914	4.8
209.15466	1.8
211.13341	2.9
212.13689	3.4
215.03459	6.0
217.04985	4.3
221.04353	2.1
227.03352	2.3
235.16956	2.0
252.07996	2.2
263.07187	3.8
264.07849	1.9
265.08594	2.4
267.06555	6.6
267.21017	1.5
273.22055	2.4
275.07236	2.5
275.10529	2.0
275.23935	2.7
277.08719	4.4
278.05664	9.7
279.06512	36.3
279.09763	2.1
280.07260	3.2
281.08047	3.8
283.03339	2.3
283.06204	7.0
285.22241	5.3
289.08563	2.9
291.06516	33.8
291.09521	1.7
291.23166	3.1
292.07376	7.6
293.07861	10.7
295.05881	9.0
297.07791	2.5
299.06018	5.9
301.08701	4.3
303.06580	5.6
303.23126	14.3
304.07462	4.0
304.69727	2.0
305.08087	35.3
306.08823	5.6
307.09659	5.0
309.07550	27.9
309.10971	2.8
313.06821	8.0
315.14523	2.1
317.08066	19.9
318.08755	4.3
319.09552	10.3
321.07590	29.3
321.11008	1.9
321.24133	8.4
325.07065	1.9
329.07913	13.9
329.15820	4.0
331.09830	3.8
333.07510	32.8
333.11234	2.3
335.09131	14.2
337.07162	4.0
339.08566	3.3
343.09674	3.8
345.07614	21.2
345.11395	2.4
347.09232	13.1
351.08603	6.6
357.07492	9.3
359.09024	9.2
363.08594	47.9
369.09613	2.1
371.09290	6.0
373.18390	2.3
375.08612	31.5
377.10178	2.7
381.09637	26.4
383.09122	3.9
387.08472	7.7
389.10330	3.1
393.09714	33.9
399.08496	7.0
401.10205	6.6
405.09744	5.0
411.10898	22.6
417.09705	14.6
429.09671	12.1
435.10672	16.8
447.10745	20.7
447.96219	1.9
453.11926	16.6
465.11819	65.0
465.28873	3.1
471.29691	2.3
483.12897	32.6
483.29294	8.9
487.21161	2.2
501.13504	8.0
501.30637	4.4
519.24182	100.0
519.30237	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	519.1496
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	3.2
55.01872	5.5
55.05503	16.0
57.03429	2.3
57.07055	1.9
61.02898	2.2
67.05491	13.8
69.03407	5.8
69.07063	12.9
69.60225	2.5
69.60630	6.9
70.06583	3.6
71.04974	3.6
76.02261	1.2
79.05476	10.9
81.03403	10.0
81.07047	33.1
81.38670	0.9
83.04964	2.4
83.08601	3.0
84.04470	1.8
84.08134	2.7
85.02894	3.7
85.06543	2.5
86.09695	2.8
87.04447	3.1
91.05437	8.7
93.07031	22.8
95.04953	11.4
95.08591	24.7
97.02889	1.6
97.06525	5.8
97.10164	17.7
99.08085	1.8
103.05466	2.2
105.03384	18.8
105.07023	17.4
107.04929	2.0
107.08583	20.8
109.02850	6.3
109.06505	5.5
109.10143	18.5
111.08077	2.9
111.11698	2.9
114.48325	1.0
115.05456	2.1
117.07010	2.5
119.04943	1.8
119.08567	15.1
121.02860	3.0
121.06505	1.9
121.10135	24.6
123.08037	3.3
123.11697	11.1
125.09628	4.5
127.03944	2.0
129.03351	2.3
129.06987	1.3
130.07787	1.2
131.04950	1.7
131.08549	5.0
133.06496	1.8
133.10129	12.5
134.10426	1.5
135.08060	2.0
135.11685	15.6
137.05969	10.1
137.09621	3.5
137.13261	2.9
139.11153	9.8
143.08533	1.7
143.10678	3.4
145.02885	1.3
145.06491	1.2
145.10107	7.2
147.04405	2.4
147.11684	11.1
149.09552	2.3
149.13272	5.4
151.11197	2.9
153.12776	2.9
154.60667	1.2
157.06421	1.0
157.10109	2.8
157.12245	3.3
159.07980	1.2
159.11667	7.4
161.05969	2.9
161.09625	1.4
161.13205	5.8
163.11183	2.5
165.09180	2.1
165.12735	2.5
167.03375	1.8
167.05525	2.0
167.06961	1.7
167.10692	1.4
169.06537	1.1
171.04524	1.2
171.11653	1.8
173.05914	1.1
173.13242	3.6
175.07552	3.9
175.11162	2.2
175.14848	5.0
177.01927	1.7
177.12718	2.1
177.16301	1.2
187.07559	2.0
187.14760	5.9
189.01886	3.4
189.11221	1.2
189.16289	1.2
191.03453	3.3
191.14363	1.9
193.15910	1.8
195.02942	3.7
203.03308	6.9
203.12788	1.6
203.14464	1.5
204.06538	1.4
205.15868	2.2
207.02899	4.7
207.13715	1.2
209.15208	1.2
211.13254	2.2
212.13547	2.0
215.03456	2.8
217.04892	1.3
221.04454	2.6
221.15303	1.2
223.16991	1.2
231.02817	1.4
235.16925	1.3
245.04378	1.6
247.07718	1.3
249.09158	1.3
257.22516	1.4
263.07239	2.0
265.08490	3.1
267.06583	4.5
267.21143	1.7
273.22134	1.7
275.07144	2.6
275.23755	4.0
276.07687	2.5
277.08478	2.7
278.05777	6.4
279.06494	30.2
280.07147	3.3
281.08041	3.1
283.06125	5.5
283.09534	1.7
284.07034	1.5
285.22095	4.7
289.08511	3.4
291.06516	25.1
291.09787	1.6
291.23145	3.3
292.07214	9.1
293.08084	10.0
295.06070	7.9
297.07922	1.9
299.05948	3.6
301.08649	4.2
303.06714	2.2
303.10013	1.9
303.23148	12.7
304.07373	6.5
305.08075	25.3
306.08835	3.0
307.06076	1.4
307.09695	4.2
309.07510	19.3
313.06830	6.0
315.06543	2.3
317.08069	14.9
318.08795	2.1
319.06235	1.5
319.09668	9.3
320.06854	1.4
321.04083	0.8
321.07526	22.7
321.10962	1.7
321.24234	9.7
323.05481	1.6
323.08734	1.9
329.07971	8.7
329.15903	2.5
331.09607	4.1
333.07526	26.0
333.11301	2.1
334.08057	1.2
335.09198	9.8
335.12833	2.0
337.07095	2.0
339.05026	1.7
339.08810	2.1
339.25327	2.0
343.09671	3.2
344.98199	1.3
345.07523	13.5
345.11148	1.6
347.09052	8.6
349.07181	3.2
351.08380	5.2
355.08948	1.3
357.07471	6.4
357.18805	2.5
359.09048	6.3
361.06848	1.8
363.08582	33.0
371.09210	4.9
373.10974	2.4
373.18027	2.8
375.08618	24.9
377.10199	2.2
379.08182	3.7
381.09668	22.1
383.09268	2.8
387.08569	6.0
389.10077	2.4
393.09677	25.1
399.08466	5.3
401.10394	2.4
405.09738	3.0
411.10782	16.8
417.09653	13.6
429.09619	10.9
435.10666	16.5
447.10760	11.8
453.11737	13.1
453.28677	1.9
465.11777	44.9
465.28424	2.9
471.29572	2.3
483.12961	21.3
483.29376	7.4
487.21436	1.7
501.13898	4.8
501.20755	1.1
501.23459	1.0
501.30655	4.7
519.24133	100.0
519.30237	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1132
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23653	0.6
53.03903	0.6
55.05472	2.2
55.82581	0.5
57.03388	1.6
61.02888	1.3
65.03901	1.4
67.05494	3.8
68.99777	1.1
69.03424	6.7
69.07063	2.9
69.57816	2.2
69.58248	2.2
70.06583	1.2
71.04962	0.8
72.08133	0.9
79.05501	2.7
81.03403	3.4
81.06612	0.6
81.07042	8.5
81.60300	0.5
83.04955	2.6
83.08540	0.9
85.02900	11.2
85.06497	1.7
86.09667	0.8
87.00831	2.9
88.01098	0.5
91.05437	1.3
93.03382	1.2
93.07029	4.4
95.04931	1.9
95.08598	6.5
97.02839	1.7
97.06500	0.9
97.10152	1.3
103.05438	0.7
105.01828	0.7
105.07013	4.1
107.04904	0.8
107.08579	4.0
109.02831	2.2
109.06512	0.6
109.10149	5.4
111.04436	4.4
111.08060	0.7
117.03347	0.6
119.08566	2.9
121.02869	3.9
121.06489	0.8
121.10139	4.2
123.08055	0.7
123.11700	3.4
125.09601	0.8
125.86343	0.5
127.03860	1.7
129.05461	6.7
129.06935	0.7
131.04874	0.7
131.08527	0.6
133.02844	0.9
133.10080	2.0
135.04388	5.4
135.08061	0.5
135.11641	2.1
137.02353	6.3
137.05965	3.0
137.09618	2.8
137.13225	1.1
139.11124	1.4
141.01773	1.3
145.10097	1.3
147.04378	0.8
147.11658	1.8
149.02342	5.4
149.05972	0.7
149.09572	1.6
149.13223	1.2
151.03943	0.7
151.07462	0.9
159.08008	0.8
159.11662	1.0
161.02280	4.7
161.09589	1.6
161.13205	1.2
163.03841	1.8
165.01823	7.9
165.09103	3.0
167.02083	0.8
167.03391	9.1
167.05498	1.0
167.06978	0.9
167.10776	0.7
173.13226	0.7
175.11229	0.6
175.14740	0.8
177.01852	4.9
177.16330	0.8
179.03371	2.8
179.10674	0.8
179.14293	0.6
181.04994	0.8
183.02882	5.1
187.07465	0.7
189.01840	0.9
191.03300	0.7
193.12306	0.8
195.02901	5.2
203.03371	1.0
207.02858	2.8
215.05473	5.0
217.04973	0.7
233.06499	1.6
233.24231	0.5
237.05463	0.5
243.21162	0.8
243.49724	0.6
245.04417	1.3
254.69931	0.6
255.06549	3.2
265.05237	0.6
271.05862	0.7
283.06000	32.9
284.06326	1.3
285.22131	1.2
286.04715	3.7
287.02475	1.1
287.05484	13.2
293.04736	0.6
295.06003	0.9
297.07593	2.7
299.05490	66.2
300.06223	10.8
301.06677	0.7
303.23148	3.7
309.07605	0.9
311.05475	100.0
312.05927	2.3
313.03433	1.4
313.06915	7.7
315.04880	1.4
321.24301	4.9
323.05563	5.5
323.09076	0.9
324.05954	0.9
325.07025	11.0
327.08588	1.7
329.06528	64.3
330.06876	1.8
337.06992	6.7
339.04959	2.4
339.25330	8.4
341.06528	8.1
351.08621	3.7
353.06573	16.8
355.04272	0.8
355.08133	2.6
357.26358	1.3
361.06973	0.9
371.07523	1.0
379.08102	10.3
397.04507	0.8
397.09238	14.8
415.06329	15.7
415.10352	20.8
433.11121	4.4
445.07730	1.8
475.12125	0.8
479.90604	0.6
491.53766	0.6
501.10321	3.4
501.17569	0.7
519.11328	24.0
519.31104	0.6
520.11621	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1132
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23653	0.6
53.03903	0.6
55.05472	2.2
55.82581	0.5
57.03388	1.6
61.02888	1.3
65.03901	1.4
67.05494	3.8
68.99777	1.1
69.03424	6.7
69.07063	2.9
69.57816	2.2
69.58248	2.2
70.06583	1.2
71.04962	0.8
72.08133	0.9
79.05501	2.7
81.03403	3.4
81.06612	0.6
81.07042	8.5
81.60300	0.5
83.04955	2.6
83.08540	0.9
85.02900	11.2
85.06497	1.7
86.09667	0.8
87.00831	2.9
88.01098	0.5
91.05437	1.3
93.03382	1.2
93.07029	4.4
95.04931	1.9
95.08598	6.5
97.02839	1.7
97.06500	0.9
97.10152	1.3
103.05438	0.7
105.01828	0.7
105.07013	4.1
107.04904	0.8
107.08579	4.0
109.02831	2.2
109.06512	0.6
109.10149	5.4
111.04436	4.4
111.08060	0.7
117.03347	0.6
119.08566	2.9
121.02869	3.9
121.06489	0.8
121.10139	4.2
123.08055	0.7
123.11700	3.4
125.09601	0.8
125.86343	0.5
127.03860	1.7
129.05461	6.7
129.06935	0.7
131.04874	0.7
131.08527	0.6
133.02844	0.9
133.10080	2.0
135.04388	5.4
135.08061	0.5
135.11641	2.1
137.02353	6.3
137.05965	3.0
137.09618	2.8
137.13225	1.1
139.11124	1.4
141.01773	1.3
145.10097	1.3
147.04378	0.8
147.11658	1.8
149.02342	5.4
149.05972	0.7
149.09572	1.6
149.13223	1.2
151.03943	0.7
151.07462	0.9
159.08008	0.8
159.11662	1.0
161.02280	4.7
161.09589	1.6
161.13205	1.2
163.03841	1.8
165.01823	7.9
165.09103	3.0
167.02083	0.8
167.03391	9.1
167.05498	1.0
167.06978	0.9
167.10776	0.7
173.13226	0.7
175.11229	0.6
175.14740	0.8
177.01852	4.9
177.16330	0.8
179.03371	2.8
179.10674	0.8
179.14293	0.6
181.04994	0.8
183.02882	5.1
187.07465	0.7
189.01840	0.9
191.03300	0.7
193.12306	0.8
195.02901	5.2
203.03371	1.0
207.02858	2.8
215.05473	5.0
217.04973	0.7
233.06499	1.6
233.24231	0.5
237.05463	0.5
243.21162	0.8
243.49724	0.6
245.04417	1.3
254.69931	0.6
255.06549	3.2
265.05237	0.6
271.05862	0.7
283.06000	32.9
284.06326	1.3
285.22131	1.2
286.04715	3.7
287.02475	1.1
287.05484	13.2
293.04736	0.6
295.06003	0.9
297.07593	2.7
299.05490	66.2
300.06223	10.8
301.06677	0.7
303.23148	3.7
309.07605	0.9
311.05475	100.0
312.05927	2.3
313.03433	1.4
313.06915	7.7
315.04880	1.4
321.24301	4.9
323.05563	5.5
323.09076	0.9
324.05954	0.9
325.07025	11.0
327.08588	1.7
329.06528	64.3
330.06876	1.8
337.06992	6.7
339.04959	2.4
339.25330	8.4
341.06528	8.1
351.08621	3.7
353.06573	16.8
355.04272	0.8
355.08133	2.6
357.26358	1.3
361.06973	0.9
371.07523	1.0
379.08102	10.3
397.04507	0.8
397.09238	14.8
415.06329	15.7
415.10352	20.8
433.11121	4.4
445.07730	1.8
475.12125	0.8
479.90604	0.6
491.53766	0.6
501.10321	3.4
501.17569	0.7
519.11328	24.0
519.31104	0.6
520.11621	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1133
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03411	0.8
65.03931	0.8
68.99812	0.7
69.03416	1.1
69.46305	0.4
69.52024	1.1
69.52438	3.3
70.06578	0.6
76.85011	0.5
79.05480	0.5
81.03410	2.5
81.07024	0.8
85.02899	3.7
87.00813	2.5
88.63548	0.5
91.05464	0.9
93.03379	0.9
93.07052	0.8
95.04951	0.6
95.08585	0.5
96.07488	0.4
97.02848	0.8
98.20721	0.8
99.04415	0.4
103.03934	0.6
109.02844	1.0
119.04951	3.5
119.08650	0.5
121.02856	7.4
123.11662	0.5
127.03979	2.4
127.04754	0.4
135.31166	0.5
137.05945	1.0
145.02821	2.7
145.04904	1.1
149.02333	5.2
153.01808	0.6
153.38924	0.5
163.03883	1.1
165.01772	2.4
167.03403	7.7
177.01837	4.4
183.02896	1.3
187.07495	0.6
195.02867	5.1
211.07545	1.2
221.05984	0.6
229.04941	0.6
239.07098	2.9
249.17874	0.5
255.06485	0.6
266.05612	0.7
267.06503	36.0
268.06839	1.2
270.05121	2.3
271.06012	7.1
281.08118	1.2
283.05994	17.3
284.06793	9.2
285.07428	0.9
295.05991	100.0
296.06247	2.4
297.03940	0.8
297.07538	0.7
299.05811	0.6
307.06012	1.0
309.07483	4.5
311.05441	0.6
313.07040	58.2
314.07407	1.3
321.07632	0.8
323.09259	0.5
325.07111	0.6
333.07602	0.8
337.07065	5.4
349.07019	2.4
351.08499	0.6
355.07941	1.0
361.06833	0.7
367.08044	1.5
379.08182	3.4
397.09128	2.4
399.07083	41.0
400.07486	1.0
403.13559	0.5
415.10175	4.4
433.11429	1.1
439.66815	0.5
501.10233	3.0
519.11279	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	519.1129
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	0.6
58.28609	0.6
61.02928	0.5
63.64059	0.5
65.26551	0.5
66.63160	0.5
67.05474	0.6
68.53249	0.5
68.99812	0.8
69.03421	1.1
71.38655	1.3
81.03397	1.3
81.07069	1.3
83.04963	1.5
85.02889	5.4
87.00835	1.6
93.07021	0.6
95.04949	0.9
95.08569	1.2
97.10162	1.4
106.45543	0.6
111.04395	1.4
121.02874	2.2
121.10162	0.9
135.04396	3.3
137.02324	3.0
149.02325	5.0
152.88095	0.6
159.11766	1.0
161.02333	2.1
163.03877	0.7
165.01872	2.7
167.03416	6.4
177.01820	4.0
183.02916	0.6
195.02911	3.1
205.39030	0.5
215.05403	2.8
227.07115	0.6
233.06462	1.5
237.05296	0.7
245.04428	1.0
255.06496	2.6
283.05994	31.6
284.06470	0.9
286.04630	1.9
287.05475	8.4
297.07547	0.8
299.05472	22.4
300.06229	8.3
301.06689	0.8
311.05469	100.0
312.05722	2.9
313.03506	1.1
313.07019	1.8
315.04956	1.1
323.05539	0.7
323.09012	0.6
325.07086	4.5
327.08817	0.6
329.06537	59.0
330.06918	1.3
337.06998	1.9
339.04959	0.9
341.06433	1.6
351.08612	2.0
353.06494	5.7
355.08188	0.7
371.07300	1.1
373.17789	1.7
379.08118	7.5
397.04919	0.5
397.09235	9.8
415.06311	34.4
416.06592	1.3
433.11218	1.7
488.59869	0.6
501.09848	2.5
519.11279	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	519.1133
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01846	1.2
55.05487	0.8
56.83967	0.4
60.83931	0.5
61.88053	0.4
65.03904	0.5
67.05479	0.5
67.83658	0.5
68.99770	1.8
69.03421	6.0
69.51295	2.0
69.51732	2.5
71.04939	0.6
79.05463	0.9
81.03400	0.7
81.07007	1.2
83.04986	1.0
85.02862	0.8
91.05445	0.7
93.07018	1.0
95.04929	1.0
95.08563	1.1
97.10134	0.7
99.74879	0.5
103.05417	0.5
105.03358	1.5
105.07010	1.1
107.04927	0.8
107.08515	0.8
109.02884	0.8
109.10114	0.5
111.04469	2.4
115.05392	0.5
119.04955	0.5
119.08575	0.8
121.10150	0.6
123.11669	0.5
123.28984	0.4
131.04895	1.2
135.04402	4.5
137.02332	8.1
141.01801	2.3
143.04918	0.6
147.04355	0.8
149.05911	0.5
153.01892	0.7
161.02281	3.3
163.03859	1.0
165.01825	18.0
167.03308	0.5
171.04366	1.5
175.03883	1.0
178.99774	0.6
179.03398	3.1
181.01352	0.5
183.02904	7.9
183.04311	0.8
185.02364	0.5
189.01802	1.3
189.05515	1.2
191.03406	0.8
193.04863	0.6
197.00748	0.9
199.03871	1.3
201.05498	1.1
203.03387	3.9
207.02846	1.0
217.04916	2.2
219.83081	0.4
221.04390	0.9
227.03380	1.8
235.05963	0.4
243.06534	1.1
245.04433	3.8
258.05255	0.7
263.05469	0.6
269.04504	0.5
271.05969	0.7
278.05713	0.9
279.06473	2.4
280.07288	0.7
281.08014	0.5
283.05911	1.0
286.04672	3.0
287.05457	11.0
289.03506	1.0
291.06482	2.3
293.08069	0.6
295.06110	0.8
297.04349	0.7
297.07559	1.7
299.05481	92.3
300.05991	3.1
303.06482	0.6
303.23007	0.5
304.07098	0.5
305.08044	2.6
308.06635	1.0
309.07605	3.1
310.04730	1.7
311.05472	4.7
313.03415	2.9
313.07053	3.4
315.05005	3.8
317.07996	1.3
319.09650	0.6
321.07584	1.9
323.05493	1.9
323.09149	2.2
325.03397	1.4
325.07053	4.6
327.04999	1.8
327.08676	1.8
329.06393	3.8
329.15509	0.5
331.09753	0.5
333.07574	3.4
335.05539	0.8
335.09128	2.3
336.06393	0.6
337.07071	14.0
338.07483	0.5
339.04733	0.9
341.06598	1.0
345.07495	1.1
347.09021	1.1
351.08600	16.5
353.06543	4.2
355.08176	1.6
359.09192	0.5
361.07004	8.6
363.08459	2.6
371.07758	2.4
373.18073	0.5
375.08594	2.4
379.08099	100.0
380.08530	2.4
381.09680	1.6
393.09525	3.0
397.09164	32.3
398.09552	0.7
411.10703	1.5
415.10287	1.7
417.09677	0.9
435.10828	1.6
453.12091	2.1
465.12045	2.8
465.28793	0.5
483.08871	8.9
501.09448	2.8
519.11255	8.6
519.23724	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.3238
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	0.2
56.05026	0.4
57.03419	0.2
58.06617	0.3
60.08155	7.0
67.05497	0.7
69.07044	0.2
70.38557	0.2
70.38893	0.6
71.07363	3.5
79.05494	0.3
81.07040	0.4
81.31130	0.1
83.08622	0.1
86.09694	33.6
87.10066	0.2
91.05468	0.4
93.07027	0.2
94.94334	0.1
95.08611	0.4
98.98453	3.2
104.10725	2.9
109.10159	0.2
124.99986	22.3
130.37263	0.1
143.01004	0.3
184.07320	100.0
185.07663	0.7
258.10992	0.2
301.67087	0.1
414.50079	0.1
484.38531	0.1
500.31042	0.7
518.32275	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.3239
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07398	0.3
53.03938	0.3
53.37276	0.3
55.05499	0.8
56.05032	1.5
57.03422	0.5
58.06573	1.4
60.08158	16.2
62.32625	0.3
67.05502	2.5
69.07045	0.4
69.85218	1.9
71.07367	7.5
79.05489	1.8
79.70803	0.3
81.07047	2.0
83.04967	0.3
86.09698	51.8
87.10020	0.5
91.05477	1.0
93.07034	2.0
94.56596	0.3
95.04939	0.3
95.08602	1.6
96.31469	0.3
98.20792	0.6
98.21400	0.7
98.66381	0.3
98.98454	4.9
104.10732	100.0
105.07016	0.7
107.08584	0.6
109.10171	0.3
119.08624	0.4
121.10125	0.5
124.99990	28.6
134.70618	0.3
163.01527	0.8
181.02646	0.4
184.07327	99.5
185.07672	0.5
213.78616	0.3
258.10999	1.1
299.06122	0.4
335.25653	0.9
441.24097	0.4
500.31277	7.7
518.32373	21.7
519.32819	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.2956
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	15.2
55.05501	60.4
57.03439	11.2
64.00811	9.9
64.11951	10.8
64.50168	11.2
67.05483	49.8
69.03410	11.0
69.07048	36.7
71.73499	17.6
79.05481	39.2
80.69687	10.0
81.03403	20.3
81.07041	63.4
83.08590	34.8
84.08160	12.8
85.02897	10.7
91.05457	36.1
93.07026	33.3
95.01253	14.5
95.04917	14.0
95.08585	26.6
105.07012	46.8
107.04958	11.9
107.08566	24.3
109.10137	23.0
111.08046	11.3
117.06963	28.3
119.08559	36.9
121.10153	22.0
123.04417	11.9
125.72474	11.0
129.07036	11.2
131.08542	23.7
133.10074	22.0
137.05879	14.5
147.11644	24.0
159.08093	11.3
165.12790	18.0
166.20256	11.0
179.10597	15.0
275.20279	15.8
284.12674	25.6
287.12781	15.9
289.10623	27.3
299.06067	26.3
319.35736	12.1
351.19360	12.9
371.22189	23.3
379.19211	13.4
387.21503	20.5
397.20029	39.1
405.22464	23.1
415.21017	42.8
421.29120	14.2
433.22147	100.0
451.23117	38.8
465.24655	15.6
518.36359	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	518.2156
Annotation	Unknow
Peak:m/z	Relative Intensity
54.48831	0.9
55.01851	1.4
55.05500	3.0
57.03156	1.7
57.03428	24.6
58.99562	1.5
59.02214	0.9
59.04982	4.4
60.98576	1.0
67.05497	8.5
68.88587	0.8
69.03414	3.0
69.07075	5.7
70.06592	7.7
70.32009	3.8
71.04977	2.7
72.08148	2.4
76.02216	11.6
77.81891	0.9
79.05482	6.8
81.03377	1.4
81.07050	8.5
82.07343	0.9
83.04948	2.2
83.08607	1.4
84.04488	4.8
84.08132	2.1
85.02882	2.5
85.06516	2.0
86.09698	3.6
87.04469	4.8
89.06023	8.1
90.35840	0.9
91.05445	6.8
93.07030	17.7
93.20737	0.9
95.04958	7.2
95.08591	10.8
96.08914	1.9
97.06531	9.8
97.10110	0.9
103.03926	9.9
105.07031	7.7
107.08575	8.8
109.06523	3.8
109.10155	12.7
111.08067	4.0
114.05560	1.0
116.01687	3.5
116.07073	1.2
119.08570	13.7
121.06467	1.3
121.10136	9.7
122.10400	1.2
123.08045	13.3
123.11677	3.1
123.50463	0.9
124.07581	2.1
125.05968	1.6
125.09624	17.6
130.04999	2.3
131.07010	1.5
132.54381	1.2
133.08620	5.3
133.10078	1.4
135.08083	1.9
137.06020	1.7
137.09607	8.7
137.13219	2.0
139.11171	8.1
143.07036	1.0
144.01114	2.9
145.10130	1.4
147.04326	1.1
147.08049	1.2
147.11665	11.3
149.09618	13.0
157.10112	1.3
162.02202	7.2
165.12746	4.4
167.10667	38.2
169.12228	5.6
175.11130	6.2
177.11192	2.3
179.04840	14.7
191.09158	1.3
193.12231	12.2
204.06613	1.8
211.13280	100.0
212.13577	1.6
213.18513	1.7
214.18710	1.5
233.05914	3.7
252.16850	1.2
284.20633	1.2
289.11847	1.5
299.05765	1.3
302.21860	1.3
308.09061	29.8
320.22937	1.5
349.14252	1.2
356.25006	1.1
371.16586	1.8
385.20465	1.4
456.21173	4.5
465.25552	1.2
474.21823	1.3
500.20337	1.5
518.10461	1.0
519.24225	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	518.125
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52005	0.2
58.87845	0.3
63.34892	0.2
63.64654	0.3
74.09850	0.3
97.67718	0.2
98.21076	1.6
107.67921	0.2
108.30203	0.2
112.89606	0.5
117.97613	0.3
120.96638	0.8
121.35212	0.3
150.97627	0.4
161.22145	0.2
174.89598	0.5
176.00830	100.0
177.01192	0.8
180.97398	0.5
185.04231	0.4
189.40324	0.2
197.21642	0.3
203.05272	0.5
212.01662	0.6
217.21773	0.2
234.98300	0.3
236.01697	22.0
237.01863	0.7
240.84688	0.2
245.05051	0.6
247.04765	0.3
248.01697	0.8
254.02782	5.6
266.02982	1.4
277.04520	0.4
278.03046	0.4
280.04172	0.3
283.00623	0.5
284.03796	0.3
290.02939	0.4
296.03946	2.0
308.03864	0.4
320.03809	0.4
338.04907	1.1
356.05963	0.4
365.10495	2.5
381.07837	1.9
403.06058	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3888
Annotation	Wilforic acid D
Peak:m/z	Relative Intensity
54.93186	1.5
55.05513	13.4
57.03445	2.8
57.07063	2.2
61.50888	1.2
67.05499	27.4
69.07064	13.8
69.63686	7.5
69.64115	3.5
79.05488	22.9
79.68419	1.2
81.07050	29.9
83.04954	2.3
83.08617	6.3
85.06558	2.2
91.05475	17.8
93.07045	26.8
93.07604	2.4
95.04971	2.2
95.08604	26.2
97.06535	2.9
97.10171	3.6
99.08107	1.5
101.85538	1.4
105.07024	22.0
107.08585	18.6
109.06564	1.3
109.10146	12.2
117.06991	8.8
119.08576	21.7
119.88575	1.2
121.10146	12.6
123.08091	1.7
123.11738	3.7
129.07045	4.7
131.08563	12.9
133.10130	17.4
135.11671	8.2
136.07573	1.7
143.08598	6.1
145.10097	13.6
147.11673	14.2
149.13274	4.9
155.08627	2.1
157.10114	7.3
159.11717	10.7
161.13277	8.8
163.11166	2.0
163.14848	2.1
169.10155	3.9
171.11702	4.0
173.13133	6.8
175.14865	2.9
183.11757	2.9
185.13300	4.5
187.14906	5.4
195.11847	1.5
197.13191	3.0
199.14896	3.8
201.16440	2.9
207.91423	1.5
208.39012	1.4
213.16524	1.9
259.20679	2.5
287.23990	1.6
299.23840	3.6
313.25455	3.2
315.23413	2.0
327.26950	2.8
345.27844	1.7
405.30026	1.9
407.28015	1.6
407.33154	4.6
419.31671	1.8
425.34225	13.1
443.35233	5.4
459.33942	2.0
481.36478	1.6
492.38794	1.4
499.37778	18.8
517.39050	100.0
518.39478	2.8
544.12927	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3885
Annotation	Wilforic acid D
Peak:m/z	Relative Intensity
53.03932	2.7
54.25837	1.4
55.01875	2.6
55.05509	16.0
57.03423	6.9
57.07058	2.0
61.78702	1.7
67.05499	36.1
69.07059	16.9
71.04974	2.5
71.08616	1.7
71.72692	1.8
79.05485	27.6
81.07050	44.5
83.04982	2.3
83.08603	10.0
83.12972	1.3
85.06523	2.6
85.10056	1.6
90.71607	1.6
91.05472	22.4
93.06441	1.7
93.07037	31.9
95.04961	3.6
95.08591	34.5
97.06515	4.9
97.10175	4.6
105.07021	28.5
107.08588	21.6
109.06522	2.7
109.10152	19.5
111.08096	2.4
117.07012	8.6
118.25510	1.7
119.08572	29.5
121.06568	1.4
121.10120	18.2
123.11665	4.9
125.70518	1.8
129.06981	3.4
131.08560	18.9
133.10126	23.1
135.11653	10.0
141.07011	2.6
143.08534	6.6
145.10126	19.2
147.11702	15.2
149.09700	1.9
149.13226	7.7
155.08539	2.7
157.10126	6.8
159.11656	13.9
161.13289	7.5
163.14847	4.7
169.10199	3.1
171.11685	5.7
173.13266	10.4
175.14850	5.4
177.16301	2.3
183.11772	2.6
185.13200	7.4
187.14822	7.0
197.13261	3.7
199.04002	1.5
199.14813	6.0
201.16446	2.5
211.14777	2.4
213.16429	2.3
241.17749	2.9
241.19870	1.8
245.19144	1.5
259.20587	3.5
268.67722	1.7
275.20200	1.5
285.22391	2.2
287.23767	2.8
299.23831	1.9
300.27164	1.7
313.25259	2.5
327.26804	2.0
333.24344	2.2
369.42459	1.6
391.28680	2.6
407.33301	6.3
425.34131	17.5
443.35236	7.9
499.37848	23.2
517.38916	100.0
518.39410	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	517.3887
Annotation	Wilforic acid D
Peak:m/z	Relative Intensity
53.03921	2.8
55.05508	16.5
57.03428	6.3
57.07080	3.2
65.82600	1.8
67.05503	33.9
69.07059	15.7
69.54430	12.8
71.04966	2.1
79.05489	22.4
81.07051	42.2
83.08605	10.1
91.05472	21.3
93.07040	32.6
95.04988	2.6
95.08604	30.4
97.06496	4.2
97.10167	5.1
98.20671	2.0
105.07027	27.5
107.08592	18.7
109.10147	12.8
117.07008	11.4
119.08569	29.3
121.10136	18.1
123.08128	2.1
123.11675	4.2
129.06985	4.3
131.08572	17.7
133.10135	21.8
133.80919	1.7
135.11688	12.4
143.08559	4.7
145.10126	20.0
147.11703	13.0
149.09586	3.6
149.13245	5.3
151.07584	1.9
155.08618	2.2
157.10124	7.2
159.11702	13.3
161.13280	7.9
163.14786	2.9
169.10280	3.0
171.11723	5.2
173.13240	10.0
175.14818	2.9
183.11713	3.4
185.13255	6.2
187.14861	6.9
189.16319	1.8
197.13286	3.1
199.14920	4.2
201.16431	3.2
231.25539	1.8
259.20648	5.6
313.25162	2.4
341.24658	2.0
391.28653	2.3
407.33057	3.0
425.34027	11.0
443.35324	7.3
499.37912	15.6
517.38879	100.0
518.39001	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	517.3884
Annotation	Wilforic acid D
Peak:m/z	Relative Intensity
51.59296	2.0
55.05511	17.3
55.49883	2.4
57.03436	3.4
57.07050	2.9
59.04997	3.2
60.39452	1.9
67.05495	29.1
69.07047	14.1
71.08607	2.6
71.74302	3.5
79.05489	24.9
81.07047	35.0
81.72839	2.2
83.08614	8.9
85.06551	3.3
89.05996	10.9
89.95844	2.2
91.05455	18.7
92.27921	1.9
93.07031	31.1
95.04973	2.8
95.08601	30.4
97.06513	2.0
97.10152	7.7
105.07014	24.2
107.08585	18.8
109.10134	14.0
117.07024	7.7
119.08565	21.0
121.10123	17.9
123.11707	3.4
129.07021	3.1
131.08554	14.1
133.08591	5.2
133.10135	15.2
135.11682	8.8
139.11163	2.7
143.08569	5.3
145.10106	13.2
147.11676	12.1
149.13258	4.2
157.10146	7.4
159.11667	12.8
161.13252	7.4
163.14786	4.1
164.58066	2.2
171.11681	3.7
173.13228	8.4
175.14848	6.0
177.16483	2.4
183.11688	4.5
185.13213	2.9
187.14894	6.2
197.13205	2.6
199.14790	3.9
203.17880	2.8
241.17767	2.3
259.20737	2.7
280.75406	2.2
301.25156	2.4
378.95203	2.0
400.40369	2.1
405.29742	2.5
407.32913	6.3
425.34265	11.2
443.35297	3.1
499.37692	14.1
500.38364	2.8
517.38831	100.0
535.90802	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	517.352
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	7.5
55.05494	23.5
57.03434	6.3
62.60860	5.6
62.67068	5.5
66.25290	5.6
67.05496	58.7
69.07066	16.5
71.74229	8.0
74.85056	6.2
79.05484	64.2
81.07050	100.0
82.39648	5.7
83.08561	9.0
87.10400	5.4
89.06042	8.3
91.05477	51.4
93.07048	59.1
95.04960	25.4
95.08599	31.9
97.06513	13.2
97.57625	5.6
103.82831	5.7
105.07018	53.5
107.04931	11.3
107.08586	22.0
109.06532	34.1
109.10177	13.7
111.08045	7.9
117.07017	11.8
119.08603	31.2
121.10098	13.3
123.08066	10.6
129.06984	21.7
131.08583	11.3
133.08556	9.8
133.10088	27.9
135.11687	8.3
137.09555	8.3
143.08601	9.6
145.10120	20.5
147.11665	35.8
151.11172	7.9
159.11624	10.6
161.13220	6.3
163.11061	10.4
171.11726	40.2
187.11153	7.8
189.12735	17.0
207.13815	23.0
239.17972	8.2
257.18945	9.2
275.20074	86.6
293.21072	17.7
307.14453	6.4
499.37277	6.3
517.35486	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	517.3368
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	30.7
57.03421	8.0
57.07059	15.8
57.54245	5.4
67.05499	93.9
69.07069	35.4
71.08623	9.8
71.37299	12.6
75.21147	5.3
79.05479	24.4
81.03414	6.4
81.07049	95.1
83.04987	7.9
83.08608	24.5
86.09695	12.0
90.57633	5.7
91.05467	21.5
93.07037	31.7
95.08607	100.0
97.06504	10.1
97.10151	14.5
99.08061	7.4
104.10736	47.8
105.07013	20.5
107.08573	15.7
109.10139	36.3
119.08558	18.3
121.10126	19.2
123.11687	17.5
131.08594	9.5
133.10124	19.3
135.08044	5.7
135.11665	19.4
137.13289	6.6
140.11034	5.9
147.11659	14.3
149.13268	13.3
151.11156	8.1
151.14803	8.5
161.13249	16.7
165.16454	10.8
175.14862	10.1
184.71863	6.0
229.11853	8.1
245.22577	33.3
263.23633	44.1
337.27292	58.0
351.60291	6.8
359.37552	7.0
371.74664	6.8
429.26520	6.1
459.24603	30.1
499.32837	7.3
518.32123	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	517.2582
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03402	0.9
56.96563	15.5
57.02670	0.9
61.63917	0.9
62.19584	0.8
70.06576	1.5
71.52543	1.1
71.52897	1.4
71.95245	2.1
89.93919	1.1
91.21066	0.8
91.22810	1.0
128.98598	1.0
137.06012	1.1
175.03021	0.8
178.07632	0.9
195.06952	1.3
213.07994	16.4
217.07420	1.9
221.72858	0.9
225.07904	4.6
231.09012	19.6
239.09595	4.4
243.08968	2.9
251.09496	16.8
251.12010	1.4
257.10541	2.4
269.10587	100.0
270.10907	1.8
287.11649	32.4
292.12170	15.3
310.13141	2.5
463.23627	56.5
464.23764	2.2
517.28046	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3004
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73877	3.1
53.03938	7.8
55.01866	14.5
55.05492	19.4
57.03422	9.1
57.06016	3.0
57.07055	6.6
58.37868	2.9
59.04982	8.2
61.02911	6.0
61.18915	3.0
65.03905	6.9
67.05498	33.0
69.03423	25.4
69.07055	38.9
70.06569	12.3
71.04985	10.0
71.73218	4.0
72.08132	4.8
78.05709	2.8
79.05477	37.0
81.03399	32.6
81.07046	100.0
83.04973	29.1
83.08598	3.8
84.08134	4.1
85.02893	10.1
85.06524	17.9
86.09698	9.6
88.29695	3.2
91.05457	27.0
93.07027	49.1
95.04951	17.0
95.08595	74.2
95.31913	3.5
97.02895	6.4
97.06515	59.9
97.10145	26.2
99.04435	11.6
99.08071	11.3
101.05985	8.4
105.07017	40.3
107.04945	14.1
107.08586	62.1
109.02859	36.8
109.06508	20.8
109.10138	57.5
111.04398	4.9
111.08096	16.0
113.06022	4.1
117.07008	6.9
119.04934	9.5
119.08562	35.0
121.02853	52.4
121.06518	10.0
121.10132	38.7
123.08059	22.8
123.11671	21.0
124.07507	3.2
124.72551	3.4
125.05987	25.0
125.09624	23.6
127.03880	7.8
127.07651	3.7
129.07056	3.9
131.08528	15.4
133.10121	30.1
135.04428	4.9
135.08038	18.3
135.11678	32.9
137.05960	7.7
137.09604	17.6
139.11162	39.6
141.09091	9.4
142.07779	3.4
143.07040	13.9
143.08542	8.5
143.10648	6.0
145.02840	4.3
145.04933	3.6
145.10107	15.9
147.08035	3.9
147.11665	25.4
149.05997	3.6
149.09618	10.1
149.13252	7.0
150.71808	3.0
151.07530	13.4
151.11166	18.2
153.12714	18.0
157.10100	13.0
159.04424	5.6
159.11690	24.4
161.09595	7.4
161.13255	9.8
163.03860	3.6
163.11186	9.6
165.09073	8.1
165.12769	12.7
167.10678	6.6
169.12186	4.4
171.11708	8.8
173.09764	3.0
173.13213	13.2
175.03889	5.6
175.11177	12.9
175.14786	4.9
177.09096	4.9
177.12646	7.2
179.10643	4.7
183.13818	8.2
185.13252	9.9
187.03893	5.7
187.14810	6.2
189.01790	7.7
189.05440	3.9
191.05415	3.9
191.14285	6.0
193.12273	11.5
195.02823	7.4
197.13303	3.5
198.94592	4.0
199.03960	3.7
199.14772	7.0
201.16357	3.3
203.03325	25.2
203.14310	10.8
205.05084	6.0
205.07025	14.5
207.02766	6.5
213.05325	3.2
215.03349	10.6
217.04936	5.7
217.15788	3.5
219.13785	6.7
221.04480	5.7
221.15437	3.5
229.04944	3.6
233.04428	5.0
233.15340	6.5
238.53850	3.3
245.04347	4.7
247.08040	3.4
255.21074	7.3
259.20703	3.8
273.22104	9.4
277.21796	3.6
279.06592	3.9
283.06012	4.3
283.20502	12.6
287.11191	50.7
289.21600	5.1
293.08109	6.1
294.05243	8.0
295.06003	66.1
295.22699	11.4
296.06485	7.9
297.07462	6.7
297.16614	3.1
301.21588	31.3
305.08206	4.7
305.12186	6.5
307.06000	45.6
308.03690	3.1
308.06750	19.5
309.04361	3.4
309.07413	18.3
315.14453	3.7
317.08105	9.3
319.06287	3.5
319.22650	25.9
320.06732	10.7
321.07498	65.2
321.11020	6.1
322.04907	4.0
322.08160	23.2
323.05536	5.4
323.09024	9.6
325.07053	44.3
333.07578	34.1
334.08121	9.0
335.08978	23.4
336.06110	6.7
337.06985	24.7
337.23505	7.4
339.08475	4.1
345.07568	20.8
346.07941	4.7
347.09109	10.8
349.06995	50.0
349.10733	6.5
350.07526	9.1
351.08630	32.1
352.09030	3.3
359.09143	8.1
361.07013	27.8
362.07236	4.9
363.08609	28.4
364.09250	3.7
367.08002	7.3
373.07111	16.0
374.06927	3.3
375.08636	18.5
379.08041	84.7
379.12558	6.7
380.08420	11.4
387.08585	12.8
388.08960	3.5
391.08032	50.8
392.08463	6.4
393.09259	4.0
397.09219	54.4
398.09564	5.6
399.08621	5.3
403.08057	13.9
405.09540	14.1
409.04205	5.7
409.09146	65.6
410.09244	8.2
415.08179	13.2
417.09518	10.7
421.09253	8.3
427.10226	43.7
433.09146	42.8
434.09985	5.4
445.09192	14.5
446.09308	3.7
451.10245	65.4
452.10385	8.9
463.10199	31.1
463.26382	9.0
464.10358	4.0
469.11288	85.8
469.27911	14.1
470.11368	9.9
481.11288	93.0
481.27930	29.0
482.11435	19.9
499.12354	64.9
499.28778	31.7
500.12643	10.5
517.13092	23.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.2277
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.3
55.01863	2.2
55.05499	11.5
57.03426	1.9
57.07061	2.9
67.05489	8.8
69.03412	7.5
69.07064	31.3
70.06571	3.3
71.04977	4.7
79.05485	8.6
81.03402	6.3
81.07054	17.4
82.32701	2.3
83.08582	4.2
83.12833	1.9
84.08138	2.2
85.02891	6.9
85.06519	4.1
87.00851	1.8
91.05469	9.3
93.07024	16.5
95.04955	4.8
95.08599	11.2
97.06516	4.1
97.10161	7.3
99.04445	3.1
105.07037	13.6
107.07301	3.1
107.08580	13.0
108.08103	2.0
109.02888	4.1
109.06459	3.4
109.10155	8.5
111.04426	3.6
111.08087	2.4
117.06980	4.0
119.08566	11.0
121.06476	2.5
121.10094	10.3
122.09658	2.2
122.28105	2.0
123.08039	4.5
123.11689	3.6
125.02344	17.0
125.06007	5.0
125.09616	4.5
127.03941	4.1
129.06902	2.5
131.08557	6.9
133.10123	18.8
135.08070	3.5
135.11673	8.8
137.05997	4.5
137.09596	4.3
140.04544	2.6
141.05449	12.5
142.07779	2.7
143.08514	2.7
143.10689	2.4
145.10124	6.4
147.07912	2.7
147.11668	6.3
149.09654	4.8
149.13231	2.7
150.09119	24.0
151.03908	2.2
153.05443	14.5
155.08492	2.3
157.10141	3.5
159.11696	7.3
161.09538	3.6
163.11208	4.2
165.09131	3.0
165.12750	2.2
167.07031	3.5
171.08119	2.3
172.03900	3.4
173.13223	6.5
175.11241	4.8
175.14830	3.7
177.12782	2.5
181.08592	2.1
185.13248	2.5
190.04926	4.1
199.14737	2.4
204.06541	4.9
205.15762	1.9
219.13751	2.3
221.15436	2.4
251.16415	75.3
269.17447	100.0
269.37375	2.2
283.20798	2.3
301.21573	7.3
319.22543	3.2
328.94052	2.1
355.04517	2.3
485.15359	3.5
517.17560	4.7
517.29773	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.0118
Annotation	Unknow
Peak:m/z	Relative Intensity
55.74328	1.0
71.38361	3.0
74.08081	0.9
94.93008	1.5
109.19651	0.9
127.53960	1.2
136.93985	1.2
145.03470	0.9
154.96089	1.1
156.88466	1.3
174.89584	100.0
202.89124	4.3
284.83667	1.5
344.85614	2.2
381.07843	7.6
400.68353	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.1335
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34469	6.8
55.01863	8.9
57.03428	33.4
61.02908	16.7
69.03429	44.2
70.06587	25.7
71.74333	10.9
73.02902	92.6
74.06068	9.7
81.03415	28.9
84.04510	20.4
84.08140	21.6
84.37083	6.7
85.02898	100.0
86.09696	9.1
97.02884	66.5
98.97558	8.2
99.04430	17.0
103.03967	8.7
105.15048	8.0
108.04507	11.1
109.02872	13.9
115.03898	49.3
116.07099	8.8
127.03893	44.0
129.10187	12.5
130.05057	8.0
131.17152	7.6
133.04953	8.3
138.93152	7.2
145.04977	46.6
150.05559	17.2
152.48628	8.5
163.05954	9.4
168.61192	7.9
180.08720	16.0
194.60762	7.5
223.03772	7.5
240.08611	41.0
245.87778	7.8
258.09760	17.3
270.09613	16.6
287.12390	13.5
288.10861	10.3
295.10220	16.5
305.13370	35.6
338.04965	9.1
420.15082	43.4
439.07422	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	517.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	4.5
55.01852	2.9
57.03411	8.9
60.04517	100.0
61.02909	8.0
65.42610	2.2
66.27965	2.0
66.61199	1.9
69.03419	26.4
69.65262	14.0
70.06582	12.5
71.04977	5.5
72.08144	9.5
73.02894	5.5
76.02202	2.0
79.05471	3.3
81.03391	18.2
83.04948	2.3
84.04488	4.1
84.08136	10.5
85.02897	93.0
85.38454	2.2
86.09700	13.4
87.04450	4.0
91.03938	4.7
91.05456	3.9
94.06550	2.9
95.04948	3.9
96.43487	2.0
97.02883	30.3
98.21442	2.5
99.04432	6.1
100.58771	2.1
103.05444	3.7
105.07021	4.4
107.04929	9.4
109.02854	11.4
110.07120	2.7
116.04922	12.7
120.08105	13.3
122.06001	2.2
123.04407	5.0
124.74527	2.2
127.03904	29.2
129.10257	2.6
130.06528	11.2
131.06029	4.7
132.04433	12.1
136.07538	3.5
137.05930	4.4
145.04947	24.2
145.06024	3.0
145.06401	2.1
148.07585	8.6
149.07040	4.1
157.07603	49.6
158.06001	5.3
163.05968	4.7
165.83511	2.1
175.08646	77.5
176.07117	3.3
176.09085	2.1
177.05464	2.7
193.09703	23.9
209.04352	5.0
278.40143	2.3
309.10971	3.0
337.13681	15.7
355.04321	7.4
355.14911	11.8
485.14282	2.6
517.19531	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	516.2954
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	0.4
55.01849	0.5
55.05503	1.5
56.96555	0.6
57.03427	0.6
60.34666	0.3
67.05499	4.9
69.03400	1.0
69.07069	1.9
70.18570	1.7
71.01335	0.4
71.04950	0.4
72.13567	0.3
74.58598	0.3
79.05489	4.3
80.05009	2.2
81.03419	0.3
81.07052	4.5
83.04974	0.5
83.08609	0.8
85.02896	0.4
91.05476	2.8
93.07030	4.9
95.04944	0.6
95.08589	3.7
96.04477	1.3
97.02881	2.3
97.06463	0.5
105.07037	2.3
107.08572	2.8
109.10159	2.1
117.06996	0.9
119.08549	2.1
121.10120	2.5
124.03941	100.0
125.04247	0.4
129.06992	0.4
131.08557	1.9
133.10115	1.6
135.11681	1.9
136.93161	0.5
143.08479	0.4
145.10120	1.3
147.11679	1.0
149.13263	0.5
154.94167	1.1
157.10098	0.4
158.39194	0.3
159.11650	0.9
161.13232	0.4
172.95238	3.3
173.13275	1.0
175.14854	0.4
190.96254	1.9
210.97681	3.7
240.17993	0.3
243.21114	0.6
259.20694	0.4
261.22147	1.0
306.27792	0.4
339.23422	0.3
350.23633	0.7
357.24353	0.4
362.23483	1.0
364.37332	0.3
387.80716	0.3
442.20270	0.4
460.21298	3.4
473.20206	0.6
516.24115	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	516.2439
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.5
55.01875	1.2
67.05497	1.5
69.07064	9.6
70.06580	11.7
71.04047	2.5
72.08150	4.2
76.02225	0.9
79.05476	2.8
81.03407	6.5
81.07031	1.1
83.04975	3.6
84.08135	4.4
85.02930	1.0
86.09698	100.0
88.03982	1.3
91.05463	8.6
93.07039	5.0
95.04955	2.1
99.04462	1.7
102.05621	1.0
103.05527	1.2
105.07015	3.2
107.04958	2.5
107.08579	2.7
109.02876	3.3
110.07179	1.7
117.07012	15.7
119.08582	4.8
120.08084	3.2
121.06516	1.3
123.04436	4.5
127.03934	1.4
128.10725	4.6
129.10217	2.5
131.04930	1.8
131.08577	6.2
132.10202	2.5
133.06493	3.0
133.10132	5.2
135.08038	19.3
137.05986	3.6
138.06363	1.1
143.08537	1.6
143.11720	1.1
145.06473	3.2
149.09630	2.8
156.10162	1.9
159.08017	9.6
159.09172	1.1
161.05974	2.0
161.09621	1.2
163.07544	10.6
177.09081	9.5
179.10600	1.7
181.08624	6.5
187.07532	5.9
201.12244	1.1
205.08582	35.7
205.10478	1.8
244.16959	2.2
246.18636	1.8
248.16420	2.8
262.17987	7.7
272.16397	1.1
290.17474	48.4
308.18546	40.1
325.09381	1.4
336.17999	14.1
404.77527	0.9
452.22711	1.7
480.22211	4.0
498.23303	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	515.3213
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	4.3
55.01851	3.2
55.05510	21.7
57.03426	9.3
57.07062	4.4
60.64033	2.8
61.02904	3.6
65.03959	2.5
67.05501	84.8
69.03419	11.4
69.07060	16.0
70.57093	7.4
70.57449	4.5
70.69187	2.5
71.04995	6.6
79.05486	60.8
81.03401	10.0
81.07049	100.0
83.04964	6.4
83.08607	10.3
85.02893	8.2
85.06526	2.7
87.73823	2.3
89.18338	2.3
91.05462	36.2
93.07040	74.2
95.04964	10.4
95.08599	73.5
97.02915	5.1
97.06528	6.1
97.10165	3.2
99.08073	3.7
105.07013	28.5
107.08582	41.2
109.10148	33.9
111.08083	3.0
117.07028	15.4
119.08571	24.0
121.06461	2.7
121.10142	40.0
123.07982	3.3
123.11697	13.8
124.03947	8.4
127.03902	3.4
129.06960	5.3
131.08577	21.2
133.10106	18.2
135.11679	28.5
137.09583	3.4
137.13264	6.2
143.08490	4.1
145.10112	24.6
147.08115	3.1
147.11682	16.3
149.13242	18.3
155.08620	3.6
157.10153	3.7
159.11705	19.9
161.09627	3.2
161.13252	12.4
163.14801	12.5
165.12761	3.2
171.11757	3.5
173.13268	15.7
175.11234	3.9
175.14839	3.1
177.16417	6.2
185.13182	4.2
187.14806	8.3
201.16344	3.7
243.21049	24.1
261.22150	69.8
261.24759	5.4
273.22113	3.3
279.23181	4.0
298.25772	2.8
301.21609	3.7
303.23105	4.5
335.25735	7.6
345.24161	3.8
353.26596	12.8
369.24298	5.4
387.25122	3.3
390.96466	3.8
405.26364	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	515.3209
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76148	3.8
53.03938	3.6
55.05512	18.5
57.03419	10.7
57.07079	3.9
59.05013	3.5
60.08133	3.5
61.02906	6.5
65.03924	5.2
67.05499	96.0
69.03414	10.6
69.07069	17.5
71.75639	6.2
79.05486	50.1
81.03391	6.1
81.07047	100.0
83.04964	5.0
83.08601	12.7
85.02875	12.1
91.03930	4.4
91.05477	37.1
93.07041	62.6
95.04961	8.8
95.08601	77.7
96.41171	3.6
97.02838	5.1
97.10149	5.5
99.08107	4.8
105.07036	29.2
107.08572	41.3
109.06485	6.9
109.10141	38.5
110.58052	3.7
117.06965	8.9
119.08546	19.9
121.10128	33.6
123.11718	16.8
129.06989	7.7
131.08565	20.0
133.10077	16.8
135.11719	20.1
143.08478	4.3
145.10052	17.1
147.11665	14.7
149.13208	19.7
159.11688	13.4
161.13211	13.3
163.14781	7.8
173.13274	20.6
175.14873	5.0
179.14339	4.3
187.14816	10.9
243.21138	26.7
261.19641	5.0
261.22141	55.3
335.25848	25.7
353.26660	14.0
419.27969	7.6
469.31500	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	515.321
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	10.0
55.05498	19.8
57.03422	12.5
57.07050	4.6
61.02926	7.8
67.05498	86.2
69.03088	3.2
69.03409	18.7
69.07061	19.9
69.95066	9.3
69.95496	11.2
71.04967	6.2
79.05482	70.7
81.03410	7.8
81.06603	6.7
81.07051	100.0
83.04954	6.6
83.08609	14.0
85.02892	13.5
85.06515	5.1
91.05473	44.5
93.07038	80.5
95.04973	7.7
95.08593	74.2
97.01561	3.4
97.02877	9.1
97.10151	8.7
99.04469	4.7
99.08101	8.5
105.07015	34.5
107.04961	4.1
107.08585	53.0
109.06494	14.5
109.10149	34.0
113.09647	5.3
117.07009	15.9
119.08559	32.2
121.10125	38.2
123.11665	13.6
127.03902	3.6
129.06984	12.3
131.08575	36.5
133.06474	5.1
133.10132	21.7
135.08038	7.6
135.11681	25.2
137.09618	5.8
137.13165	4.2
143.08554	8.6
145.10092	26.8
146.43448	3.5
147.11679	19.7
149.09633	4.9
149.13214	19.7
155.08595	4.2
159.11694	23.2
161.13228	11.2
163.11163	4.4
163.14824	15.1
169.10051	3.4
171.11681	8.2
173.13283	18.7
177.12650	4.9
177.16298	5.0
185.13301	6.4
187.14798	14.0
191.14371	4.0
243.21040	21.9
261.22119	62.5
278.49414	3.3
279.23212	3.6
290.59479	4.2
301.21588	6.8
303.23111	9.7
335.25790	10.4
345.24274	3.7
353.26913	25.2
358.16815	3.7
358.66705	6.2
369.24213	11.4
387.25168	6.6
419.27802	3.9
443.27866	6.1
461.29193	4.4
497.30981	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	515.3192
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	1.3
67.05487	2.3
68.06812	1.4
69.07038	2.7
69.46987	15.7
69.94073	1.5
79.05498	2.3
81.07046	3.3
85.02898	1.8
86.09658	1.8
94.68682	1.5
95.08601	2.0
97.02901	1.5
131.03368	1.5
133.28909	1.6
254.99190	1.4
259.38242	1.6
314.17065	1.5
339.29120	2.9
515.31860	100.0
516.32117	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	515.3212
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.6
54.40579	3.0
55.01859	4.6
55.05509	21.6
57.03425	12.9
57.07066	4.7
61.02914	5.7
65.55625	3.8
67.05496	91.5
69.03422	13.0
69.07066	25.6
71.04983	6.9
71.75478	6.3
73.02903	5.6
77.78483	3.4
79.05481	55.8
79.50917	2.9
81.03414	11.9
81.07048	100.0
83.04987	5.9
83.08602	14.9
85.02898	13.6
85.06548	4.5
91.03942	3.4
91.05468	45.8
93.07037	75.0
93.07590	6.3
95.04951	11.7
95.08600	77.8
97.02892	14.1
97.06520	4.6
97.10161	8.1
99.08100	6.8
105.07011	34.3
107.04893	4.2
107.07896	4.3
107.08591	40.5
109.06522	12.8
109.10150	47.2
111.08120	4.2
113.09677	3.6
117.06989	16.7
119.08568	29.1
121.10136	37.4
123.08007	7.2
123.11719	17.2
129.07034	4.5
131.08569	31.8
133.10097	23.3
135.08054	6.0
135.11702	24.5
137.09595	5.4
137.13234	4.6
143.08516	5.3
145.10129	20.6
147.11693	14.9
149.01178	3.8
149.09616	4.3
149.13245	13.4
157.10170	7.5
159.11682	17.1
161.09702	4.8
161.13190	16.0
163.11244	4.0
163.14809	10.4
170.22523	3.3
171.11659	6.3
173.13173	17.4
175.11240	5.3
175.14848	4.3
177.16306	5.1
180.88457	3.0
183.11771	4.1
185.13139	5.6
187.14848	9.2
201.16338	4.3
243.21106	14.6
261.22098	50.2
279.23196	6.5
287.96649	3.5
301.21707	6.9
303.23206	5.7
335.25784	21.5
345.24219	6.3
353.26688	19.2
358.16504	9.4
358.66434	8.3
359.66626	9.4
360.66400	4.2
369.24121	10.6
377.27258	3.6
387.25269	6.6
389.48398	3.5
405.26553	4.0
419.27963	6.0
461.28506	4.2
497.30978	9.0
515.26227	43.0
516.26941	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	515.2847
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.0
55.01869	2.3
55.05490	3.9
57.03431	1.2
57.07076	1.5
59.04978	1.9
61.02924	2.6
67.05489	9.2
69.03421	63.2
69.07072	5.7
70.06583	2.1
71.04977	3.4
72.08164	0.9
79.05482	5.4
81.03410	4.2
81.07043	14.6
83.04966	4.5
83.08599	2.7
84.08095	1.1
85.01108	1.1
85.02914	2.4
85.06549	3.8
86.09717	1.6
86.81509	1.0
89.06023	3.9
91.05465	5.8
93.07033	11.2
95.04949	4.0
95.08585	9.7
97.06515	1.7
98.21534	2.3
99.08085	2.7
101.05971	1.0
102.13113	1.1
102.31401	0.9
105.07007	7.5
107.08585	9.4
109.02869	2.7
109.06526	4.1
109.10139	12.2
111.04444	2.0
111.08070	11.1
113.04202	1.1
117.07018	1.4
119.08587	6.3
121.06528	2.3
121.10159	5.5
123.08074	1.5
123.11655	1.2
125.09616	100.0
131.08568	4.3
133.06392	1.0
133.08585	2.6
133.10117	5.6
135.08058	4.8
135.11641	3.5
137.02344	1.7
137.05928	1.9
137.09560	6.1
137.13335	1.1
139.11198	2.2
143.08551	1.6
145.10130	2.2
147.08047	1.9
147.11673	2.8
149.09616	3.9
149.13249	1.4
151.07481	2.0
151.11124	3.2
153.09071	1.6
153.12737	1.5
156.08325	1.4
157.10133	3.5
159.07990	1.3
159.11678	4.8
161.09587	1.8
161.13231	1.1
163.07465	1.6
163.11148	1.4
165.09131	7.3
167.07144	1.2
167.10635	2.5
169.12247	2.1
171.11649	1.2
173.09569	1.3
173.13295	3.7
175.11133	1.2
175.14879	5.8
177.09126	1.4
177.12750	1.9
179.10582	1.1
191.14336	1.3
195.10094	2.3
195.13788	1.9
199.14825	1.8
201.12790	1.5
211.09650	3.7
217.15843	3.1
219.13739	7.1
237.14812	2.0
239.09058	5.6
257.10211	2.8
259.11166	9.3
271.20508	1.1
282.11469	1.1
299.19849	4.7
317.21143	4.8
333.15497	1.1
335.21976	1.7
381.18976	2.9
399.20215	4.2
479.26166	4.0
497.27328	7.3
515.21320	1.7
515.28870	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	515.2847
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	0.2
55.05501	1.6
57.07048	0.2
59.04984	0.3
61.76793	0.2
65.03924	0.5
67.05497	5.9
69.03423	5.0
69.07069	1.6
69.78360	0.7
69.78770	0.4
70.06582	0.5
71.04984	0.5
72.08138	0.3
77.62592	0.2
79.05489	1.0
81.03411	1.2
81.06602	0.3
81.07044	3.9
83.04970	1.2
83.08606	0.5
84.04498	0.3
84.08125	0.3
85.02885	0.8
91.05492	1.6
93.07030	1.9
95.04952	1.2
95.08595	3.2
97.06522	0.7
97.10157	1.4
98.21531	0.2
99.04434	0.6
105.06995	1.1
106.20097	0.2
107.04946	0.2
107.08577	1.4
109.02860	0.7
109.06510	1.1
109.10144	2.7
111.04394	0.2
111.08098	0.4
111.11666	0.3
112.11288	0.2
113.05981	0.2
119.08556	1.7
120.08105	0.3
121.06498	0.4
121.10152	1.1
123.08054	0.4
123.11687	1.0
125.05904	0.2
125.09600	0.3
127.03893	0.5
127.07567	0.2
130.05034	0.3
131.08533	0.5
133.10147	1.0
133.11011	0.2
135.08049	0.3
135.11681	0.4
137.09596	100.0
138.09969	1.0
139.11130	1.2
143.08551	0.3
145.10094	0.5
147.11676	0.3
149.09599	0.6
149.13220	0.2
151.07587	0.3
151.11188	1.0
155.08516	0.2
157.10118	0.4
157.12244	0.5
159.08003	0.3
159.11696	0.4
161.09608	0.5
161.13223	0.5
163.11147	0.4
165.09122	0.2
167.07080	0.2
167.10687	0.2
171.11684	0.3
173.09596	0.4
221.15387	0.8
231.33447	0.2
236.78429	0.2
239.16423	0.4
249.14876	0.3
271.20493	0.3
289.21439	0.2
299.05615	0.3
299.19992	0.7
310.04694	0.3
317.21118	1.1
317.24359	0.2
323.05417	0.3
329.15985	0.3
335.22177	0.5
335.25970	0.3
338.04233	0.6
353.06537	2.1
382.04010	0.3
386.26797	0.3
454.05621	0.3
479.26309	1.3
485.27393	0.7
497.27579	1.7
515.31323	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1508
Annotation	Unknow
Peak:m/z	Relative Intensity
59.06111	4.3
59.11848	1.5
62.70348	1.3
69.03412	7.1
70.06573	5.3
71.09871	1.8
71.10194	3.1
73.02879	1.9
74.02422	7.5
79.05470	5.1
81.03400	7.1
84.08130	2.1
85.02895	8.0
87.00822	4.5
88.03988	16.6
97.02882	4.4
99.00836	3.2
105.01850	1.7
106.06540	17.8
107.04959	14.4
109.02863	4.6
110.07156	1.6
116.03443	10.4
117.01819	2.1
127.03905	6.8
129.10213	2.2
130.06496	2.0
132.06813	12.7
132.07925	2.8
133.07605	43.9
134.04469	8.6
134.06035	3.4
143.06024	4.1
144.02896	2.1
150.05513	2.0
151.08638	4.5
159.02885	2.7
159.09171	6.5
161.07106	3.3
162.05463	1.8
185.07124	9.8
189.06761	1.7
203.08177	3.0
231.07648	4.1
249.08813	7.8
267.09729	100.0
402.19153	1.5
429.15048	5.5
432.74847	1.8
471.16074	19.4
497.14084	2.7
513.80090	1.9
515.07947	2.8
515.15118	37.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.3006
Annotation	Unknow
Peak:m/z	Relative Intensity
54.70964	1.4
55.01868	2.6
55.05512	6.4
57.07074	1.4
59.04980	1.7
59.70795	1.3
62.06083	100.0
66.29804	1.1
67.05487	10.7
69.03425	2.5
69.07055	6.5
69.50772	4.0
69.51189	8.4
70.06584	1.8
71.04974	2.3
71.08641	1.3
72.08147	2.6
78.05264	1.2
79.05490	11.2
81.03401	3.8
81.07052	14.9
83.04966	2.6
83.08609	5.1
85.02891	2.3
85.06593	1.6
89.02399	1.4
89.06074	2.2
91.05463	12.3
93.07046	8.0
95.04945	4.9
95.08607	9.4
97.06545	1.8
97.10159	2.7
98.06047	3.7
99.04435	1.8
99.27554	1.1
105.07014	8.8
107.04932	3.5
107.08585	4.7
109.02843	1.6
109.06495	1.7
109.10148	3.4
111.08005	1.5
115.05401	1.4
117.07022	4.4
119.04930	2.0
119.08528	6.1
121.06493	3.1
121.10127	4.1
123.08063	2.5
129.06987	5.2
131.08540	6.7
133.06493	2.1
133.10114	5.4
135.04437	1.4
135.08116	1.6
135.11684	1.5
137.09689	2.1
141.06937	1.9
143.08534	2.8
145.06487	2.7
145.10139	4.7
147.04375	2.4
147.08061	2.7
147.11665	3.6
149.06035	1.6
149.09624	2.0
155.08522	2.3
157.10127	3.1
159.08069	1.7
159.11696	1.7
161.09610	2.2
185.13133	1.7
187.11243	1.8
191.10614	1.6
193.10226	1.2
193.12312	2.3
195.11708	1.9
196.13359	1.8
201.12735	1.4
214.14330	2.7
217.12244	2.7
233.11813	3.5
257.11752	1.3
259.13156	1.4
275.20233	1.5
295.20737	1.6
322.27448	1.8
337.21695	2.3
343.22574	2.0
353.20993	2.4
371.22238	2.5
374.26508	1.7
380.25964	2.3
381.20395	2.5
389.23187	2.4
390.26355	1.9
396.25336	7.2
398.26764	8.9
398.36694	1.3
399.21756	1.3
400.24762	4.0
402.26425	2.5
406.23517	1.6
412.24655	3.1
414.26355	20.3
416.27750	4.0
418.25848	7.5
423.12207	1.4
424.24698	6.3
430.25797	4.0
432.27582	7.2
442.25635	10.0
450.27930	1.6
460.26822	11.0
461.25696	1.5
478.27979	10.6
487.23248	2.4
496.29001	42.2
497.27890	1.7
498.13950	1.5
514.30157	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	514.3006
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	10.8
55.05506	14.8
57.03440	2.5
57.07063	3.4
62.06085	100.0
67.05497	20.1
69.03421	11.1
69.07066	10.5
69.62791	16.2
70.06574	2.8
71.08585	2.3
72.08115	2.5
79.05476	16.8
81.03404	4.1
81.07047	30.0
83.04977	6.2
83.08635	9.9
83.49789	2.2
84.08158	4.5
85.02882	5.4
85.05271	6.6
85.06541	3.4
85.10173	6.8
90.23685	2.3
91.05473	18.4
93.07021	18.4
95.01324	12.6
95.04945	6.3
95.08599	18.9
97.02917	2.3
97.06527	3.4
97.10178	3.5
98.06049	18.3
98.20653	2.5
99.08068	2.6
105.07007	15.2
107.04968	2.5
107.08607	10.3
109.06507	6.0
109.10164	6.2
111.08063	8.5
111.11838	2.0
112.07597	59.5
113.09639	5.9
117.06995	2.9
119.08595	12.2
121.10147	9.3
123.11710	4.8
131.08543	5.9
133.10147	8.5
135.11716	3.0
137.09570	2.5
139.11237	2.1
141.01822	3.5
145.06473	2.9
145.10107	4.7
147.11713	11.4
149.02313	8.5
149.09605	3.5
149.13274	2.4
151.11163	4.7
154.12274	3.7
157.10112	4.1
161.13254	2.8
165.12726	8.7
177.05429	5.3
193.04965	9.0
194.15378	7.1
208.16890	13.8
212.16446	2.3
226.18016	8.4
236.16426	2.9
237.07394	2.0
254.17644	2.5
259.20499	3.7
264.19443	10.6
277.21567	15.7
295.22665	2.5
320.22031	3.1
320.25830	65.4
321.26846	3.2
322.27399	10.7
338.26889	29.3
424.24670	2.5
428.49783	2.2
430.25931	4.3
435.23615	7.2
442.25897	2.4
452.13110	4.2
460.26962	5.5
478.27975	14.9
496.16071	8.1
496.29010	62.7
499.17426	2.7
514.30249	19.5
514.36890	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.3003
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01850	2.4
55.05494	7.2
56.44067	2.2
57.07059	7.8
62.06083	97.3
67.05499	13.2
69.03416	3.2
69.07050	7.0
69.64743	5.6
69.65153	13.0
70.06578	3.0
76.65331	2.0
79.05491	11.2
81.03404	4.7
81.07055	14.1
83.08600	2.2
85.02879	5.2
85.05293	2.6
85.10190	12.6
87.04469	2.0
91.05479	12.7
93.07016	13.2
94.07335	2.0
95.01316	5.9
95.04935	2.8
95.08581	12.5
97.02869	2.7
97.06534	2.3
98.06018	4.9
100.04724	2.0
105.03335	3.4
105.07004	7.3
107.04939	4.1
107.08568	7.7
109.10139	6.1
113.09625	7.3
117.07009	4.1
119.04926	2.4
119.08561	9.4
121.10122	9.4
123.04425	3.2
123.08025	3.2
129.07018	3.7
131.08560	6.7
133.08585	2.1
133.10120	4.9
135.08093	2.0
135.11711	4.2
136.59547	2.0
139.03946	2.2
143.08521	3.3
145.10141	4.1
147.11719	5.2
149.06024	2.3
159.11656	4.5
165.44930	2.0
171.11464	2.1
177.01840	2.6
199.11140	2.4
243.10115	5.5
260.20862	3.7
261.11285	3.0
277.21658	3.0
278.30884	2.3
297.71298	2.3
307.11682	3.1
320.25818	4.4
322.27435	5.6
325.12778	17.4
338.26633	3.1
339.13101	2.7
339.27744	3.2
340.28433	2.2
352.25565	8.2
366.08078	2.5
442.26044	4.5
460.26981	3.8
460.34845	3.1
478.27734	9.4
496.28995	100.0
497.27356	12.1
514.30096	55.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.28
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21213	1.8
54.80879	2.0
57.07053	5.1
58.06572	2.9
65.37905	1.6
70.06590	19.3
71.08608	4.4
71.75494	2.4
74.39509	1.7
88.07626	23.6
91.55941	1.9
101.22166	1.5
102.09168	13.9
105.03387	19.0
129.10213	1.6
149.02338	11.3
149.05962	77.4
193.04962	13.9
200.20074	65.8
224.21883	1.7
297.07571	13.8
341.10153	71.5
341.14255	3.6
479.25369	2.2
514.27985	100.0
515.28186	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	514.2858
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	2.4
55.05503	4.4
57.03413	4.5
57.39576	2.1
61.02907	2.5
67.05489	11.3
69.03409	4.7
69.07059	5.0
70.06579	7.2
70.48979	2.0
70.98669	4.1
71.04971	4.6
72.08111	2.8
79.05473	10.0
81.03406	99.1
81.07043	9.0
83.04951	4.0
83.08607	23.2
84.08105	4.5
84.11218	2.1
85.02885	6.2
86.09700	5.4
91.05473	13.0
93.07040	11.4
95.04958	30.2
95.08571	6.3
97.02878	4.3
97.06515	2.5
97.10140	2.9
105.07008	12.8
107.04937	7.3
107.08575	5.8
109.06493	2.7
109.10120	4.8
111.04401	3.0
111.08087	12.1
112.11295	2.4
117.31877	2.1
118.18203	2.2
119.08565	13.4
120.08064	2.2
121.10114	6.7
121.51066	2.0
123.04423	3.2
123.08006	2.4
125.01999	2.2
129.06979	6.8
131.08549	7.5
133.06508	2.6
133.10085	5.0
135.08054	2.6
135.11650	2.2
137.09592	4.2
147.08023	5.0
147.11665	9.1
149.09581	5.4
157.10152	11.8
161.09494	2.1
165.12654	2.6
175.11174	17.3
190.06956	2.0
193.12218	85.8
211.13147	7.0
223.84253	2.2
225.10208	2.6
235.13304	4.5
267.11447	3.9
267.15884	42.9
281.44446	2.1
285.16925	100.0
286.17224	2.9
301.14212	2.5
309.16925	11.5
313.11810	9.2
337.67468	1.9
363.17743	3.9
373.13889	26.3
373.18152	3.1
436.18759	2.2
450.82361	2.4
479.65674	2.3
514.30359	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.4
53.04141	1.0
53.76350	1.0
55.01867	6.3
57.03428	5.7
61.02921	6.5
68.99772	2.4
69.03422	36.0
69.07066	8.4
69.83232	1.7
69.83652	6.1
70.06578	15.2
71.01351	1.1
71.04977	4.4
72.08153	4.9
73.02917	8.1
78.77756	1.0
81.03410	26.5
82.59977	0.9
84.04488	2.6
84.08128	7.1
85.02894	100.0
86.09676	6.1
87.00818	49.9
97.02882	53.3
99.04451	14.6
99.05523	1.1
103.03925	1.7
105.01854	88.1
109.02869	35.0
110.07140	3.2
111.04479	1.0
115.03919	1.5
116.07040	1.3
117.01837	2.7
120.08091	1.5
127.03898	95.4
129.01823	3.2
129.10217	3.9
135.04369	1.2
145.04936	41.6
147.02841	2.4
156.07663	1.7
159.02864	12.3
169.80281	1.1
189.03972	1.9
213.03896	8.6
231.04961	35.4
236.89966	1.0
249.06013	15.0
253.07051	3.3
271.08047	3.1
303.83060	1.1
336.73532	0.9
357.08124	2.1
375.09378	1.9
393.10129	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	4.9
55.01867	5.2
57.03421	3.8
58.76669	0.8
60.04517	0.9
60.10311	0.8
61.02919	8.4
68.99774	2.7
69.03424	36.5
69.07064	18.6
70.06585	11.2
70.53060	4.3
71.01354	1.0
71.04979	4.1
72.08141	4.2
73.02901	6.7
74.06062	1.2
81.03407	21.3
83.06115	1.0
84.04456	2.0
84.08126	2.8
85.02896	100.0
86.09677	6.4
87.00819	45.6
91.03951	1.6
91.05431	1.5
97.02882	50.1
99.04437	12.2
101.02338	1.2
103.03864	1.0
105.01855	98.4
109.02869	32.7
109.03622	1.7
110.07144	4.1
115.03873	1.8
117.01834	1.7
120.08096	1.7
127.03902	81.0
128.04309	0.9
129.01814	2.8
129.10184	1.7
134.63040	0.9
145.04944	38.1
147.02820	2.0
150.94502	0.9
152.05676	3.4
155.08231	1.0
156.07642	2.5
159.02855	10.2
163.03891	6.2
163.06079	1.3
189.03920	3.3
213.03964	7.3
220.11867	3.0
231.04971	36.3
249.06044	22.0
253.07076	1.9
271.08133	2.1
379.60818	1.0
393.10242	2.0
474.33405	0.9
486.35599	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.7
55.01864	0.6
55.05509	0.4
57.03428	0.5
59.45755	0.2
61.02917	0.9
65.03934	1.7
67.05495	0.7
68.99783	0.3
69.03419	2.4
70.06590	1.2
70.68530	0.6
71.04982	0.6
73.02915	0.7
79.05477	0.6
80.47723	0.2
81.03416	2.5
81.07056	0.5
84.04488	0.3
84.08104	0.4
85.02902	5.8
86.09712	0.4
87.00825	2.1
87.04494	0.3
91.05476	100.0
92.05824	1.1
93.07056	0.5
95.04967	1.1
95.08625	0.4
97.02886	3.1
99.04422	1.2
103.03895	0.2
105.01853	2.4
105.03387	0.7
105.07036	0.9
107.04959	0.4
107.08598	0.5
108.08117	0.4
109.02869	2.7
111.04472	0.3
113.06024	0.3
116.07088	0.6
117.01922	0.3
117.07015	0.4
119.08563	0.3
121.10216	0.3
123.04440	0.6
127.03909	4.3
127.04839	0.2
129.01837	0.5
129.06990	1.2
133.06516	0.7
135.08223	0.2
137.09590	0.2
139.03949	0.2
141.05449	0.4
141.06966	0.7
143.08589	0.4
145.04967	1.3
145.06458	0.5
147.02917	0.4
149.17801	0.2
153.04111	0.3
153.05496	0.2
157.05048	0.3
157.06422	0.4
157.10094	0.5
159.02869	1.1
159.08104	0.4
161.09618	0.2
167.08527	2.1
169.10115	0.5
171.08107	0.5
175.07539	0.6
177.56517	0.2
179.00151	0.3
181.06528	0.2
185.09642	3.3
189.03883	0.5
195.08058	0.5
195.12643	0.3
199.07600	0.7
203.10808	0.3
213.03938	0.3
213.09059	3.2
217.08568	0.4
228.05696	0.2
231.04997	0.7
231.10146	2.7
249.11180	1.2
295.47333	0.2
309.03879	0.3
311.12662	0.4
313.11746	0.3
321.10153	0.2
325.07578	0.2
363.04532	0.3
383.15640	0.3
393.06018	0.2
409.10086	0.2
428.19489	0.2
470.20868	0.5
482.19745	0.4
496.19952	0.4
496.28720	0.2
514.19495	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3571
Annotation	11-OXOURSOLIC ACID ACETATE
Peak:m/z	Relative Intensity
55.05512	15.2
57.07065	8.7
61.69825	2.5
67.05496	27.7
69.03421	3.2
69.07065	21.8
70.06581	4.5
71.08615	3.9
79.05490	23.2
81.07049	58.1
83.08618	13.1
88.07617	6.0
91.05454	36.9
93.07035	60.1
95.04968	3.3
95.08594	97.4
97.06509	5.8
97.10139	5.2
102.09187	2.7
105.07014	60.6
107.08583	100.0
109.06491	8.1
109.10142	51.6
111.08064	9.8
111.11664	2.8
111.19829	2.8
115.05334	2.5
116.06259	2.6
117.07014	9.3
119.08566	69.3
121.06448	4.4
121.10131	45.6
123.08044	7.4
123.11687	9.6
125.08804	2.3
125.09573	13.4
129.06998	7.9
130.07698	2.9
131.08540	35.4
132.43994	2.5
133.06555	3.0
133.10120	70.8
133.11134	3.8
135.08052	4.8
135.11673	32.1
137.09584	6.8
142.07758	6.6
143.08542	27.0
143.43631	2.3
144.09314	5.4
145.10112	55.1
147.08037	4.9
147.11667	53.9
149.09613	5.3
149.13271	8.6
151.11220	6.1
155.08533	10.0
156.09406	5.9
157.10098	34.7
158.10930	2.9
159.07936	3.0
159.11681	37.9
159.76672	2.3
161.09575	11.2
161.13234	27.9
163.11157	4.3
163.14827	7.6
165.09216	3.7
169.10109	14.5
170.10863	4.8
171.11685	22.3
173.13229	27.0
175.11176	9.8
175.14758	14.4
177.09116	3.1
177.12811	7.5
177.16393	8.0
178.21100	2.5
179.10587	12.7
183.11711	10.9
185.13234	32.0
187.11177	4.1
187.14795	33.7
189.12737	3.7
189.16359	34.1
191.14256	4.6
191.17928	6.8
193.12192	3.1
195.11742	4.0
197.13220	13.2
199.14799	69.2
201.12778	2.9
201.16353	26.1
203.14299	18.8
203.17955	23.7
205.15843	17.2
209.13235	6.9
211.14861	13.8
213.16324	15.1
215.14281	5.8
215.17931	4.5
217.15874	29.7
221.72845	2.5
223.14792	8.6
225.16336	12.8
227.17949	8.4
229.15866	9.9
229.82858	2.9
231.17320	14.1
233.15308	4.3
237.16321	8.8
239.18059	5.6
247.17001	3.3
251.17999	5.1
253.19551	4.1
255.17346	3.4
256.26401	7.0
257.26620	7.2
269.19019	4.8
269.22644	4.4
283.26300	8.1
284.26682	8.8
293.22586	30.7
299.23657	3.0
309.22031	5.4
311.23630	59.6
321.25952	2.8
351.26813	3.0
371.25821	4.7
371.37476	2.8
389.31842	4.0
395.34491	2.6
407.33005	16.5
409.34674	2.7
411.28812	3.0
417.31204	6.9
435.32587	37.7
453.33707	16.5
471.34650	3.7
495.34601	3.0
512.50323	6.1
513.50751	29.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3055
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58257	2.0
53.03937	4.6
55.01855	3.0
55.05510	10.2
57.03419	9.4
57.07056	3.1
57.57273	2.3
61.02924	17.5
62.06062	7.8
67.05501	36.3
69.03403	5.6
69.07075	10.6
69.59481	5.2
69.59898	13.0
70.06576	2.4
71.01351	3.4
71.04991	2.4
72.08137	4.4
72.99737	1.9
73.02884	5.1
79.05484	37.7
81.03403	6.2
81.07047	41.8
83.04957	3.1
83.08595	6.6
84.08132	2.6
85.02893	13.9
91.03934	8.5
91.05466	30.4
92.91532	1.9
93.06439	2.6
93.07022	44.5
95.04935	6.4
95.08591	29.3
97.02887	10.8
97.06504	4.9
97.10178	4.4
99.08097	3.4
103.03894	2.3
105.07022	34.9
107.04928	3.1
107.08587	33.0
109.02852	2.9
109.06492	3.8
109.10143	14.4
117.07004	11.2
119.08569	37.3
121.06489	3.9
121.10136	27.2
123.08064	3.9
123.11678	5.8
127.03881	2.7
129.05460	2.5
129.06964	6.6
131.08571	14.9
133.10123	30.7
135.08032	2.6
135.11687	23.9
137.09610	3.1
141.06927	2.4
143.08553	6.9
145.06465	2.2
145.10123	19.7
147.08031	3.7
147.11671	31.7
149.09622	3.2
149.13245	19.0
151.14606	2.1
157.10085	8.7
159.11656	14.4
161.09703	2.5
161.13228	24.1
163.11227	2.9
163.14786	5.9
171.11668	13.4
173.13271	9.6
175.11154	2.9
175.14784	11.1
183.11613	2.7
185.13225	9.3
187.14839	2.6
189.12711	2.2
195.13876	2.5
199.14792	6.2
213.16415	4.9
215.17906	2.6
217.19406	2.1
231.17482	3.4
231.21214	3.0
241.19499	22.0
257.19156	2.5
259.20532	52.0
273.21893	2.6
277.21518	11.2
302.36279	2.5
333.24182	10.0
349.23721	5.2
351.25256	100.0
352.25638	2.8
363.25269	2.6
367.22577	3.6
375.25220	3.1
387.18826	4.5
417.26285	2.6
437.73468	2.1
441.26111	6.5
459.27191	3.4
495.29214	11.9
496.28860	5.5
513.29639	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3056
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.5
55.01873	3.2
55.05511	14.0
57.03424	6.6
57.07068	3.1
59.04984	2.6
61.02929	18.5
67.05495	32.2
69.03416	7.1
69.07058	11.9
70.06558	2.6
70.34639	4.7
70.35037	6.4
71.04971	2.5
73.02893	7.9
75.04464	2.3
79.05489	36.3
81.03410	10.1
81.07048	35.9
83.04951	4.0
83.08601	7.8
85.02896	19.7
85.06537	5.2
91.03923	7.6
91.05469	33.4
93.06513	3.1
93.07040	42.9
95.04939	5.2
95.08589	27.1
97.02876	12.6
97.06481	2.4
97.10137	3.5
99.04440	4.0
99.08079	2.6
105.07020	38.2
105.87230	2.2
107.04993	2.5
107.08575	26.6
109.02869	3.4
109.06535	3.9
109.10143	12.9
112.08643	2.0
117.06994	14.1
119.08564	39.2
121.10135	21.4
123.08061	3.3
123.11719	4.1
127.03878	4.1
129.07002	11.4
131.08557	18.3
132.52682	2.0
133.06461	2.7
133.10115	31.7
135.08090	3.4
135.11691	18.7
137.09621	3.5
141.07011	2.6
143.08575	10.6
145.10095	20.8
147.07997	3.3
147.11668	23.1
149.09546	3.0
149.13231	14.2
155.08588	3.2
157.10112	9.9
159.11678	15.7
161.09569	4.0
161.13249	20.5
163.11160	3.2
163.14780	3.9
167.08508	2.7
169.10120	3.4
171.07964	2.2
171.11668	9.4
173.13223	12.6
175.14798	12.0
177.12701	3.6
183.11702	4.6
185.13249	9.9
187.14769	2.8
189.12755	2.7
195.11885	2.3
196.42197	2.0
197.13174	2.6
197.44908	2.3
199.14818	5.6
203.14412	2.7
213.16405	2.6
228.43558	2.1
231.17308	2.9
231.21109	3.8
241.19489	21.0
253.83389	2.1
259.20569	51.3
277.21454	2.7
349.23813	4.3
351.25290	100.0
363.25085	6.0
367.22620	3.6
375.25009	5.7
385.23975	2.8
387.35129	2.3
403.24643	2.8
417.26251	3.7
421.25900	2.8
437.02820	2.5
441.26178	8.5
449.04800	2.6
459.27313	6.6
477.28284	7.5
495.29449	9.9
513.29993	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	513.3053
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	5.5
55.01851	7.8
55.05499	27.5
57.03425	13.0
60.47912	4.2
61.02911	11.9
61.08461	5.1
61.58815	4.3
67.05493	78.9
69.03409	19.5
69.07065	26.7
69.77111	30.6
71.04977	8.2
73.02895	9.8
79.05484	87.9
79.30460	4.6
81.03404	23.7
81.07047	89.5
82.44655	5.2
83.04991	12.0
83.08598	15.4
85.02890	22.6
91.05468	100.0
91.06403	5.0
91.49056	4.5
91.60918	5.3
93.07038	93.0
95.04950	11.4
95.08585	62.0
97.02876	21.7
97.06504	7.5
97.10143	8.1
99.04465	8.1
105.07016	99.4
107.08575	55.7
109.02848	5.7
109.06484	7.6
109.10125	19.1
111.04411	12.3
111.08048	7.7
117.06997	39.8
119.08563	90.7
121.10138	53.5
127.03893	10.4
128.06198	5.9
129.05478	9.1
129.06953	26.3
131.08560	67.3
133.10115	84.4
133.98373	5.5
135.11671	54.1
141.06937	6.5
143.08531	22.6
145.10092	68.7
147.08041	8.0
147.11668	78.9
149.13326	26.8
155.08484	12.2
157.10101	26.5
159.11670	63.5
161.09567	5.4
161.13223	43.0
163.14844	6.3
167.08472	7.1
169.10147	13.8
171.11639	32.0
173.13268	40.2
175.14857	23.2
177.12891	5.4
181.10095	7.0
183.11685	8.1
185.13297	27.1
187.14717	12.5
197.13239	13.2
199.14825	14.6
201.16209	6.0
209.13153	6.4
213.16370	7.4
231.17451	7.7
231.21230	6.7
241.19472	27.2
253.19521	9.7
257.19067	27.2
259.20502	90.7
261.22113	8.5
269.18924	6.4
271.20557	17.3
275.19992	20.2
277.21594	9.8
286.35284	6.5
287.20184	6.6
289.21799	8.5
301.21576	19.9
313.21567	11.4
319.22446	6.3
325.21570	5.7
349.23352	5.0
351.25241	71.8
367.22577	41.1
375.24997	7.0
377.23618	4.9
385.23816	58.2
403.24704	54.5
421.25818	95.5
495.29190	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	513.3054
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	14.7
57.03430	6.5
61.02918	15.2
61.05555	3.4
67.05501	33.2
69.03412	9.3
69.07054	13.5
71.04986	9.8
73.02929	5.3
76.18715	2.9
79.05489	37.8
81.03407	4.8
81.07046	39.3
83.08630	5.7
85.02896	16.1
86.09679	3.4
91.03925	5.7
91.05476	31.1
93.07040	44.8
95.08595	23.9
97.02877	7.9
99.08061	4.9
105.07030	39.1
107.08587	35.3
109.10153	12.7
117.06998	5.2
119.08582	33.0
121.10137	23.7
123.11720	4.0
125.09611	4.5
129.06982	6.7
131.08577	19.7
133.10126	28.6
135.11652	21.7
143.08572	9.2
145.10095	16.0
147.11673	24.1
149.13228	19.2
157.10168	8.9
159.11688	16.1
161.13242	20.4
163.14804	3.7
171.11703	10.0
173.13171	3.8
175.14838	10.0
185.13245	6.8
199.14821	5.7
213.16330	5.2
229.79686	4.8
241.19441	19.6
259.20569	46.2
273.22382	3.6
277.21680	9.1
304.28506	4.1
333.24243	5.0
351.25250	100.0
403.24780	5.4
495.29327	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	513.1
Annotation	Unknow
Peak:m/z	Relative Intensity
54.27545	5.3
55.19548	5.5
62.98249	69.7
70.06596	5.4
71.71195	13.0
72.43167	5.5
112.89587	20.7
119.01907	18.0
124.95919	6.0
131.13599	5.5
143.01915	10.0
145.03491	12.0
157.03461	7.6
161.02936	15.9
170.96413	44.8
173.02945	13.7
185.02910	18.0
186.02983	8.9
187.04515	9.8
189.02475	8.3
230.04832	7.8
231.03500	18.0
231.06653	13.9
245.04993	40.3
246.05150	13.2
247.04718	8.7
263.06033	7.1
277.09009	12.8
350.65198	9.0
365.09686	8.1
381.07880	27.2
439.14197	41.5
455.11795	7.3
477.08701	8.5
513.09717	100.0
514.13177	38.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.5037
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	1.4
57.06802	0.6
57.07072	11.2
58.06582	1.1
60.04510	1.1
67.05504	1.8
69.07046	2.1
70.06214	0.7
70.06584	9.2
70.99417	0.9
71.08252	0.4
71.08630	6.4
72.04498	1.0
72.19698	0.3
73.02901	1.0
78.13889	0.4
79.05485	0.4
81.07053	2.2
83.08593	1.3
85.10168	2.6
88.02206	1.3
88.07623	11.5
89.06017	0.7
93.07022	0.6
95.08607	2.6
97.10152	1.1
101.37737	0.3
102.09177	9.8
106.08661	0.4
109.10160	0.5
111.08042	0.3
133.08583	0.7
138.09134	0.5
143.97874	0.3
176.89903	0.3
219.06003	0.4
228.23238	2.4
256.26343	32.4
274.27362	2.2
283.26300	31.8
284.26688	0.5
311.29419	2.3
327.20068	0.4
344.16748	0.6
512.50348	100.0
513.50702	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	512.5035
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	1.6
55.29081	0.4
57.07070	15.1
58.06581	1.2
62.48050	0.4
65.89388	0.4
66.86614	0.4
67.05495	2.5
67.20660	0.4
69.07062	2.4
70.06586	12.5
71.08624	8.2
71.62952	0.9
73.02900	1.3
78.39749	0.4
78.92628	0.4
78.96957	0.4
81.07050	2.4
82.55827	0.4
83.08604	1.8
85.10178	3.3
88.07623	18.8
89.06010	1.1
95.08585	2.9
97.10161	1.6
102.08498	0.8
102.09172	13.6
106.08663	0.5
109.10164	1.2
114.94541	0.4
133.08536	0.4
146.24574	0.5
212.23715	1.0
228.23219	5.1
246.24120	0.5
256.26340	49.3
257.26620	0.8
274.27399	4.3
283.26303	51.2
284.26779	0.6
311.29443	5.2
512.50366	100.0
513.50604	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.3347
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	1.0
56.05023	1.0
57.03434	1.6
57.07064	0.8
58.06587	0.9
59.07377	0.3
60.08157	15.0
65.20081	0.2
67.05481	0.5
69.07040	1.2
70.06561	0.5
70.80910	0.8
71.07364	5.9
71.08617	0.5
72.08128	0.6
75.04472	0.8
81.07033	0.4
83.08603	1.1
85.10121	0.3
86.09695	40.3
93.07040	0.3
97.10116	0.6
98.21394	0.3
98.98454	3.8
100.26617	0.3
104.10730	100.0
105.11042	0.3
106.85658	0.3
109.10126	0.2
124.99987	23.7
143.01035	0.5
165.03154	0.4
184.07326	61.1
185.51561	0.3
256.26428	0.5
258.10999	1.3
283.26260	0.5
329.26804	0.5
435.24789	0.5
472.02786	0.3
494.32382	6.1
512.33441	30.8
513.33569	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.2851
Annotation	Unknow
Peak:m/z	Relative Intensity
58.80342	0.8
67.05497	1.5
67.18529	0.8
69.07066	1.9
70.06578	5.2
70.28252	3.5
72.08151	1.0
79.05490	1.9
81.07053	5.1
84.08125	1.6
85.02903	2.6
85.06541	1.1
86.09709	1.8
91.05486	4.2
93.07028	3.5
95.08599	3.0
98.21358	1.0
103.05469	1.5
105.07014	7.2
107.08585	3.1
109.10160	1.8
117.06998	2.1
118.25105	0.8
119.08562	4.7
120.08110	1.6
121.10141	1.8
129.07019	2.3
131.08556	2.7
133.10127	1.1
133.39073	0.9
135.11743	1.0
137.06009	2.3
141.06944	1.4
143.08539	3.4
145.06425	1.1
145.10143	4.2
147.08070	5.5
147.11691	3.1
151.03905	2.3
155.08533	2.0
157.10101	3.8
159.11694	3.9
161.13229	1.1
169.10114	4.2
171.11684	3.3
173.09576	1.7
173.13182	1.4
175.11211	1.3
177.12767	1.8
181.10129	3.3
182.10883	1.0
183.11687	2.5
185.13264	5.6
187.11192	3.3
189.12712	1.5
195.11665	13.7
197.13242	2.3
199.11160	2.6
199.14795	4.6
201.12744	1.4
203.14439	1.0
209.13251	4.4
210.14053	5.3
213.12714	3.0
213.16405	2.5
225.16423	1.1
227.14354	1.5
227.17970	5.7
240.59294	0.9
241.16022	1.5
241.19411	6.8
251.17973	10.1
269.18970	100.0
270.19391	1.8
278.71951	1.0
315.19492	14.2
333.20526	12.8
333.62848	0.9
457.79010	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.3025
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28378	0.9
53.03963	1.0
55.05267	1.4
55.05506	12.8
57.03430	6.3
57.07067	6.7
67.05499	12.2
69.07062	17.3
69.54714	1.0
71.08617	2.4
71.26455	1.0
71.41160	1.6
71.41493	1.2
72.46990	1.1
79.05479	3.7
81.07047	9.6
83.08609	14.0
93.07038	6.8
95.08592	12.9
97.06504	1.8
97.10142	7.8
98.98462	27.2
104.10750	4.4
107.08585	3.7
109.10159	5.5
110.46387	1.1
111.08078	1.5
111.11690	1.2
121.10121	5.5
135.11682	4.7
149.13269	1.8
155.01038	14.8
158.04277	1.0
173.02086	2.9
180.58153	1.1
247.05833	1.3
264.34970	1.1
265.25256	3.5
297.49741	1.1
339.28918	100.0
340.29230	2.6
475.28247	5.9
511.33029	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2896
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	15.8
55.01864	15.2
55.05507	33.3
56.96553	5.3
57.03438	21.8
59.80387	3.2
61.02920	9.3
67.05498	64.4
69.03416	38.2
69.07056	33.3
70.06583	7.4
71.04976	13.1
71.08619	4.8
71.74337	5.1
71.74696	3.7
72.08144	5.7
73.02911	12.1
79.05487	59.5
81.03410	69.6
81.07046	100.0
83.04964	18.9
83.08634	18.1
85.02888	27.9
85.06516	5.9
87.04475	3.4
91.03957	7.3
91.05466	61.8
93.07034	65.2
95.04976	20.4
95.08601	51.7
97.02891	32.0
97.06523	17.3
97.10166	7.2
99.04465	9.4
101.02345	4.3
105.07008	63.7
107.04956	16.1
107.08574	37.5
109.02869	14.1
109.06516	18.6
109.10155	27.5
111.04403	8.4
111.08067	9.3
113.05965	4.0
115.05410	4.5
117.07000	21.1
119.08574	40.1
121.06494	9.5
121.10132	29.6
123.08068	16.8
123.11703	6.9
125.05973	5.0
125.09607	7.9
127.03916	20.2
128.06169	4.6
129.06979	12.5
131.08571	25.2
133.06496	6.4
133.10097	33.6
135.08041	13.2
135.11664	17.0
137.06030	4.7
137.09605	13.5
137.13245	5.4
139.07471	5.1
141.06989	4.2
142.07776	5.3
143.08566	10.6
145.04938	3.5
145.10101	26.0
147.08083	5.6
147.11684	22.8
149.09601	17.2
149.13245	12.4
151.07552	4.5
151.11281	6.1
155.08539	5.3
157.10059	6.1
159.08057	4.1
159.11639	20.1
161.09608	10.1
161.13275	8.6
163.11217	10.2
165.12724	4.4
169.10132	8.0
171.11653	10.1
173.04440	10.0
173.09645	5.9
173.13187	17.8
175.11118	8.3
177.12733	8.3
177.16469	3.6
183.11734	7.2
185.13303	4.2
187.11092	3.8
187.14705	3.4
191.10701	3.7
191.14369	4.1
193.12366	4.0
197.13208	7.6
201.12772	3.5
201.16367	3.7
205.03856	3.5
210.65892	3.5
229.19461	4.1
239.17949	8.2
247.20561	12.0
257.10577	12.0
257.19049	14.7
267.15753	5.5
269.10684	17.3
269.17294	4.4
275.11646	8.6
275.20050	63.0
283.06259	6.5
283.12195	3.6
287.11679	11.6
293.21066	11.7
301.13217	16.0
335.22153	7.2
349.23715	54.8
367.24536	6.3
373.23654	5.5
383.22119	6.1
413.21906	4.6
419.23856	5.4
439.54889	3.5
475.27051	6.6
479.22974	16.0
493.27948	9.0
511.29181	27.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2327
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71917	0.6
63.37028	0.5
65.03937	0.8
69.98513	3.1
70.06537	0.6
79.05480	1.5
81.07027	0.7
91.05473	7.8
94.04177	5.1
95.04946	1.8
103.05476	4.1
105.07016	1.7
107.04919	1.5
109.06483	1.1
115.05437	1.2
117.06998	0.8
119.04956	3.6
121.06483	2.2
122.03632	11.1
123.04439	0.9
128.06216	1.8
129.06987	2.3
131.04918	5.6
131.08525	1.1
133.06465	1.8
135.08067	1.3
136.05206	1.2
137.05969	100.0
138.06256	1.3
143.08548	2.4
145.06458	1.4
146.03683	0.6
147.04318	1.0
149.05998	2.8
151.07532	25.2
152.06232	0.8
153.07002	0.8
157.06473	1.4
160.05165	0.6
161.06003	4.3
163.07530	11.3
165.07001	4.5
165.09096	1.2
166.07840	0.8
167.07175	0.7
167.08522	3.1
169.06456	0.7
171.08078	2.0
174.06761	1.6
175.07553	3.4
177.09079	1.3
179.08571	1.3
179.30585	0.7
181.06465	1.2
182.07259	1.3
183.07976	0.6
187.07571	1.9
188.08356	1.7
189.09077	4.6
193.06535	2.1
195.08014	6.6
196.08861	0.6
197.06050	0.8
197.09621	0.9
201.09103	0.9
203.10612	5.4
207.08235	0.6
209.06084	0.6
210.06819	2.3
211.07613	1.1
212.08359	0.9
213.09116	0.8
219.08073	0.9
221.05968	4.0
222.06604	0.7
223.07536	1.9
224.08339	3.1
225.09093	4.2
227.06982	1.3
227.10652	4.5
235.07513	1.1
237.09009	0.8
238.06169	1.3
239.10635	0.7
251.10652	0.8
252.07825	1.2
253.08632	3.7
255.06412	1.0
255.10158	5.1
267.10150	3.5
279.10022	0.7
285.11203	11.1
286.11783	0.8
287.12766	10.8
291.13824	0.8
305.11856	1.2
307.13293	1.1
313.14349	2.5
319.13174	0.8
325.14304	1.2
337.14230	0.8
348.44592	0.6
351.15854	4.1
410.26749	0.7
411.15814	0.6
415.19049	1.8
443.18094	1.2
475.20819	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2896
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	9.7
55.01871	18.4
55.05502	32.2
56.52076	2.8
57.03423	20.4
57.07056	11.0
59.04989	5.1
61.02908	8.7
65.03928	5.9
67.05495	66.5
69.03424	34.7
69.07063	42.2
70.06595	5.7
70.37241	10.3
71.04990	14.2
71.08612	6.7
79.05486	52.4
81.03413	58.3
81.07047	100.0
83.04960	14.1
83.08620	32.0
85.02909	18.9
85.06525	4.8
89.06025	7.3
91.03935	4.1
91.05471	51.4
92.05814	3.2
93.07032	52.1
95.04956	27.7
95.08594	48.1
97.02891	24.2
97.06512	22.8
97.10185	13.0
98.20798	3.5
98.98439	8.9
99.04433	7.3
99.08118	5.5
103.03959	4.3
103.05446	5.4
105.07016	45.9
107.04936	14.2
107.08577	30.9
109.02885	15.0
109.06494	26.0
109.10137	21.3
111.04433	9.2
111.08046	8.3
112.34396	2.5
115.03880	2.8
115.05430	2.4
116.63012	2.3
117.07029	19.5
119.04913	3.0
119.08572	35.1
121.06516	11.8
121.10143	23.5
123.04424	5.5
123.08056	10.6
123.11682	14.2
125.09618	5.1
127.03909	18.7
128.06204	5.3
129.07011	7.7
130.07736	2.4
131.08527	22.7
133.06439	5.2
133.10138	26.1
135.08035	11.7
135.11674	15.2
137.05959	2.8
137.09589	6.6
141.06949	5.6
143.08548	7.6
145.06459	6.7
145.10127	22.2
147.04506	2.9
147.08012	6.7
147.11674	17.8
149.05896	2.6
149.09602	14.4
149.13275	15.2
149.14310	2.6
151.07582	2.7
151.11148	6.3
155.08546	3.5
157.10083	8.8
159.08028	7.6
159.11676	18.3
161.09596	8.3
161.13229	8.9
163.11153	14.8
163.14828	2.8
165.09113	3.8
165.12740	9.1
167.08606	2.9
169.10136	5.7
171.07997	2.4
171.11665	6.7
173.09595	4.6
173.13252	7.2
175.11191	6.0
175.14812	4.1
177.12767	5.9
181.10159	3.2
183.06485	4.0
185.09694	3.6
187.11200	3.2
187.14825	3.3
189.12773	5.1
191.14294	2.5
193.12294	5.8
197.13289	4.5
201.12671	3.4
203.02084	2.2
207.13857	3.1
209.11668	3.7
219.11563	2.5
219.13635	2.9
229.19432	4.5
238.18051	3.0
239.14969	2.7
239.18112	9.4
247.20514	9.6
249.45998	3.0
257.19000	9.6
267.15942	5.7
273.18338	3.8
275.20041	62.3
276.20438	4.0
287.20282	2.5
293.21262	12.5
299.80753	2.8
301.54193	2.9
317.21133	3.4
320.25830	4.5
321.26114	21.1
339.27200	32.0
349.23734	38.9
367.24545	5.7
391.24677	7.0
401.23279	3.9
419.24115	7.5
457.25980	4.1
493.27896	5.9
511.28967	29.6
512.28589	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	511.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
57.84788	0.6
59.18916	0.5
61.51168	0.5
69.03405	1.5
69.84605	3.3
70.06577	2.4
84.03006	0.7
85.02878	2.3
94.93017	0.9
95.15639	0.6
98.21423	1.2
98.97566	0.8
100.02434	0.9
101.00865	2.7
102.04045	2.8
104.01919	1.1
109.02905	0.7
112.89572	1.4
114.89356	1.0
116.98582	0.6
118.03513	6.0
119.01886	5.4
120.05090	1.1
125.05606	0.6
127.03895	0.9
130.03455	0.8
131.01875	2.2
133.03337	0.6
136.04564	4.1
141.05087	8.9
142.03484	0.9
143.01865	5.7
143.06660	6.1
144.05070	1.3
145.03433	2.4
149.02943	0.6
155.01880	3.2
157.03438	1.8
159.06136	10.6
160.04581	1.3
161.02925	7.5
161.07707	10.5
161.97081	0.6
166.03372	0.8
167.01901	2.2
169.04533	2.5
171.04909	0.8
173.02956	5.7
175.02811	0.7
178.03459	1.0
178.04811	3.6
178.55064	0.6
179.01859	1.2
182.07600	0.7
184.04517	2.7
185.01402	0.5
185.02943	11.6
187.05641	40.0
188.05777	1.4
190.00400	0.7
191.03943	0.9
193.03793	0.7
196.04550	4.7
197.02937	4.5
200.04526	0.7
203.03932	3.1
205.06688	30.4
206.06897	0.9
210.07185	2.3
211.05603	6.5
212.04021	1.2
214.05658	0.7
215.00404	0.8
215.04070	3.2
222.98840	1.2
227.03973	2.2
229.01636	2.2
229.06676	100.0
230.01114	2.0
230.05051	5.9
230.06963	2.4
238.05524	0.8
241.06686	20.7
241.09157	1.3
242.01064	1.2
242.04962	1.5
245.05054	22.3
247.07816	0.9
248.06131	1.0
250.07001	2.3
252.94992	0.8
253.06665	5.1
254.84506	0.8
257.05121	1.3
259.07697	10.7
263.06210	3.0
265.06699	2.0
271.07712	2.4
272.06299	0.6
275.06091	3.0
276.00369	0.9
277.00061	1.2
281.07187	1.2
283.07712	2.5
289.05545	1.0
289.08765	19.8
293.07227	0.9
295.07697	1.2
305.07202	1.7
313.08786	1.8
331.05502	1.1
331.09848	18.7
332.08331	0.7
337.08011	0.8
340.10065	1.4
349.06573	1.4
349.10852	13.5
365.09518	1.6
371.06573	0.7
404.73743	0.6
421.12656	1.2
511.16412	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	511.1608
Annotation	Unknow
Peak:m/z	Relative Intensity
56.82983	0.9
56.92631	0.8
56.96550	1.6
57.03418	1.5
61.02906	1.7
61.56401	0.8
63.50259	0.8
69.03416	5.0
69.51465	8.9
70.06582	7.4
73.02904	2.3
78.37526	0.9
81.03379	1.0
84.02991	1.3
85.02897	7.7
97.02312	1.1
97.02869	5.3
98.97581	5.1
100.02460	1.5
101.00858	2.8
102.04008	3.5
105.00392	0.8
112.89536	1.0
116.98553	1.8
118.02772	1.1
118.03534	6.0
119.01896	7.6
120.05070	1.5
120.14621	0.8
127.03876	3.5
131.01883	1.4
131.96120	3.2
136.04518	4.4
139.03293	1.1
141.05055	9.7
142.03456	2.4
143.01854	4.3
143.06651	5.6
144.05043	1.2
145.03413	4.5
145.04942	2.2
149.02826	1.6
155.01859	4.1
157.03476	2.1
158.99629	1.6
159.06140	13.7
160.04689	2.1
161.02925	6.6
161.07709	10.1
161.97139	0.9
167.01862	1.8
169.04430	8.2
173.02913	6.8
173.97131	1.7
174.96846	1.1
176.03999	1.1
177.00645	1.1
178.04883	19.8
178.55156	1.3
179.01920	1.4
182.03149	1.3
183.00932	1.5
183.55020	1.0
184.04553	3.3
185.02963	12.7
185.97195	2.2
186.96809	1.3
187.05649	42.2
188.05789	1.9
189.00720	1.1
189.55592	1.9
191.03926	1.7
193.03873	1.9
196.04546	5.6
197.02982	5.7
197.97174	3.6
198.96913	1.8
200.04408	1.4
203.03952	2.9
205.06686	31.6
206.06932	1.1
208.04576	1.5
210.07272	1.4
211.05675	8.8
212.04109	2.1
212.07491	1.2
214.05595	1.5
215.00432	1.8
215.03961	1.8
215.98149	1.9
219.01721	2.2
222.98914	1.6
227.03961	2.4
229.01521	13.3
229.06683	100.0
230.01060	4.1
230.05029	7.5
230.06973	3.4
233.99411	1.5
241.01439	1.2
241.06696	22.2
242.01006	2.1
242.04944	2.1
245.02457	1.3
245.05057	26.1
246.05183	1.9
248.06216	1.5
250.07088	8.6
250.57266	1.3
253.06696	3.6
257.05014	2.5
259.07642	21.4
259.57828	2.5
261.02792	1.3
263.06134	3.8
265.06717	2.6
271.07773	2.4
275.06171	1.7
276.00272	6.6
277.00058	3.9
281.06946	3.4
283.07611	1.7
289.08786	19.8
290.90417	0.9
295.07666	1.5
305.07193	3.1
306.01260	1.3
313.08649	2.7
331.09818	19.7
331.13419	1.8
336.06989	1.0
337.08075	3.0
340.10059	3.5
349.06607	2.0
349.10913	11.6
350.10938	1.7
365.09348	2.0
421.13159	1.3
511.16626	10.7
512.13574	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.4364
Annotation	Unknow
Peak:m/z	Relative Intensity
55.90746	1.5
57.03419	2.9
57.07067	100.0
59.04993	45.2
69.07056	1.4
71.08620	88.7
71.41209	2.7
71.61246	1.6
83.08616	2.2
85.10170	71.2
85.10686	3.6
89.06018	12.9
97.10168	4.2
97.91254	1.4
99.11720	14.1
101.05963	1.5
101.09662	3.4
102.21797	1.3
107.72152	1.4
111.11699	1.5
113.13267	5.7
117.09113	19.5
135.23520	1.4
147.10162	5.4
155.17931	8.6
184.07269	1.4
205.14331	2.7
213.22107	19.0
218.58284	1.6
223.15446	2.1
235.11795	1.4
243.99039	1.5
254.24704	2.0
271.26276	22.8
281.19409	1.7
338.98383	1.6
493.41055	1.9
510.42603	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.3546
Annotation	1-heptadecanoyl-sn-glycero-3-phosphocholine
Peak:m/z	Relative Intensity
51.12631	0.3
51.22948	0.3
55.05506	0.5
56.05015	1.4
57.03424	0.5
57.07064	3.8
58.06598	1.2
60.08154	16.0
67.05484	0.4
69.07054	0.7
70.11565	1.1
70.11979	0.7
71.07362	6.3
71.08624	2.3
79.63570	0.3
81.07030	1.1
83.08614	1.0
85.10164	1.1
86.09694	54.0
87.10021	0.4
95.08588	1.5
97.10165	0.6
98.20739	0.4
98.98454	4.0
100.11255	0.8
104.10727	98.5
105.11031	0.5
109.10149	0.6
123.11729	0.4
124.99987	29.1
143.01102	0.4
163.01535	0.8
184.07320	100.0
185.07703	0.5
211.36525	0.4
239.23540	0.5
250.72081	0.3
258.10791	0.7
313.27295	1.5
327.28885	1.3
372.84821	0.4
433.26886	0.6
446.30246	0.4
492.34470	8.9
510.35501	28.4
511.35852	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.3634
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05485	17.0
57.03431	4.9
57.07067	100.0
67.05495	34.1
69.03419	14.9
69.07059	22.6
71.08620	81.4
71.76003	5.3
72.80536	4.5
77.47137	4.7
80.02206	4.8
81.03412	21.5
81.07053	51.2
83.08609	31.1
85.02888	33.3
85.10171	39.6
95.08596	66.8
97.02876	29.1
97.10162	17.4
104.10751	11.6
109.02887	15.8
109.10160	26.7
111.00587	5.0
123.11708	13.3
127.03893	36.4
137.13277	7.8
145.04950	21.8
146.31241	5.5
184.78336	5.1
231.56554	5.0
237.96683	4.9
239.23682	96.0
313.27338	21.7
383.27798	57.0
401.29022	95.8
450.03687	5.4
484.15350	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	510.3423
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07073	3.2
58.06560	0.8
65.03909	2.3
70.06226	0.9
70.06583	13.0
70.78946	1.8
71.08609	0.7
72.08125	1.5
83.55624	0.6
84.08117	1.7
86.09664	2.3
88.07594	2.3
98.21278	0.7
100.63130	0.5
102.09149	1.0
114.92532	0.6
121.02804	0.8
132.10172	5.8
139.03883	1.2
146.11755	6.3
148.50082	0.6
149.02327	52.7
149.03403	2.7
155.48508	0.7
176.60606	0.6
193.04941	54.7
194.05148	0.9
212.23715	1.3
215.84096	0.6
237.07552	70.3
238.07892	0.9
238.25195	0.9
256.26346	2.0
281.10251	1.0
300.28931	29.2
328.85004	0.5
344.31454	0.5
354.20496	0.8
448.30585	3.1
510.34204	100.0
511.34641	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	510.3187
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05491	0.6
56.05024	1.2
57.03426	1.1
57.07055	0.3
58.06585	1.4
60.08157	14.7
64.05412	0.3
67.05499	1.6
67.16119	0.3
69.07057	0.8
71.07367	5.8
71.49035	0.7
75.04492	0.4
76.10002	0.3
79.05482	0.6
81.07056	1.5
83.08594	0.6
84.08108	0.3
86.09697	41.4
87.10010	0.3
91.05516	0.3
93.07025	0.5
95.08603	1.3
97.06532	0.3
98.98466	3.3
104.10731	100.0
105.07063	0.3
105.11037	0.6
109.10154	0.4
124.99989	23.8
133.10121	0.4
138.25192	0.3
143.01019	0.4
165.03073	0.4
168.71181	0.3
175.14899	0.3
181.02615	0.8
184.07327	57.7
197.12094	0.3
214.11014	0.3
258.11005	1.6
492.30838	5.7
510.31894	23.4
511.32468	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.2822
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	1.5
55.05508	6.1
57.07058	1.5
62.06071	1.6
63.35889	0.5
67.05498	5.7
69.03431	0.6
69.07053	3.7
70.00880	2.1
71.04977	0.6
71.08624	3.9
79.05481	4.1
81.03419	0.7
81.07057	6.3
83.04961	0.8
83.08605	4.4
84.08160	0.5
85.05276	3.8
85.10163	1.6
86.06039	0.6
91.05459	2.7
93.07051	3.1
95.08589	2.9
96.08108	0.6
97.06519	1.8
97.10147	0.9
98.06046	16.9
98.20701	1.0
99.08098	2.7
105.07011	2.1
107.08574	2.0
108.08101	0.9
109.10151	1.5
110.09664	0.7
111.08064	1.4
112.07590	3.0
113.09637	2.3
119.08579	1.7
120.08109	0.6
121.06573	0.5
121.10088	0.8
124.11237	0.8
127.47421	0.5
129.32649	0.5
129.61453	0.5
131.08565	1.0
133.10114	1.0
140.10707	1.0
145.10109	0.7
154.12245	1.1
162.12708	0.8
165.12733	0.7
166.12154	0.5
168.13870	0.7
177.34821	0.5
192.13835	0.9
200.24138	0.6
208.16945	6.3
210.18492	2.8
222.18477	3.2
236.16576	1.1
258.22177	0.6
276.23138	3.5
320.25806	47.2
321.26190	0.9
325.38824	0.6
338.26852	100.0
339.27176	1.5
351.25311	0.8
492.27621	0.8
496.80774	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.2826
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34249	0.6
53.03917	0.6
55.01859	1.5
55.05513	4.5
57.03424	1.1
57.07067	2.9
57.49665	0.5
59.04981	0.7
62.06078	1.8
67.05502	7.5
69.03421	0.5
69.07060	3.6
69.54232	4.5
70.06563	1.0
71.04993	0.7
71.08627	2.8
79.05482	7.4
81.03390	1.1
81.07049	7.4
82.06567	1.5
83.04971	1.8
83.08622	3.0
85.05258	2.8
85.10175	5.7
86.06023	0.8
91.04020	0.7
91.05473	3.4
93.07035	4.2
94.07344	0.5
95.04963	0.7
95.08611	4.6
96.08089	1.2
97.06522	1.1
97.10154	0.7
98.06044	10.4
99.08082	1.3
105.07040	3.1
107.08579	3.5
109.10152	2.1
110.09666	1.6
111.08041	1.2
111.24203	0.6
112.07585	2.1
113.09628	3.6
117.06963	0.5
117.96909	0.7
119.08578	2.1
120.08085	1.1
121.10123	1.8
124.07566	0.7
124.11214	4.7
129.06990	0.8
131.08557	1.7
133.10115	1.2
140.10663	0.6
143.08603	0.7
145.10094	1.1
147.11658	1.0
154.12280	0.7
157.10109	0.6
162.12727	0.9
164.14400	0.6
165.12729	0.5
166.12283	0.7
170.11787	1.2
174.12837	0.6
179.14139	0.6
192.13788	1.1
208.16922	8.3
210.18414	1.2
222.18532	1.4
238.12132	0.5
247.08873	0.6
269.17447	1.0
276.23108	3.8
292.26376	0.8
320.25815	60.1
321.26175	1.3
333.24008	0.6
338.26862	100.0
339.27145	2.4
404.26712	0.6
474.26221	0.8
492.27115	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.2465
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.1
55.01867	4.0
55.05508	5.1
57.03427	2.4
61.02886	1.0
62.06087	0.9
67.05508	7.1
69.03426	2.0
69.07065	5.5
69.54775	0.7
70.06578	3.2
71.04527	1.9
71.04966	1.3
72.08147	1.6
79.05489	6.8
80.05003	1.0
81.03397	2.6
81.07053	23.4
83.04967	2.7
83.08602	2.9
85.02897	1.2
91.05475	5.1
93.07029	5.4
95.04967	2.0
95.08596	7.5
96.08091	0.6
97.06488	1.6
97.10152	0.9
105.07012	3.9
106.85543	0.5
107.08572	5.4
108.08151	0.7
109.02871	0.8
109.06515	9.2
109.10163	4.7
110.09703	0.9
111.03681	0.9
111.04434	17.3
111.08060	1.8
117.07027	1.5
119.08572	4.6
120.08910	0.6
121.06506	1.2
121.10132	5.6
123.08059	2.4
123.11700	2.4
125.05994	5.7
125.09622	1.1
127.03879	1.2
131.08540	2.9
133.10124	6.0
134.09729	0.8
135.08052	2.5
135.11708	4.6
136.07570	0.7
137.05969	100.0
137.13248	2.0
138.06319	1.0
139.07510	1.4
143.08549	1.5
145.10114	2.6
146.06012	1.2
147.08037	1.4
147.11678	6.4
149.09618	5.0
149.13249	1.2
151.07535	4.6
151.11131	0.9
155.08505	0.7
156.04657	0.7
157.10104	2.3
159.11731	0.9
161.09605	7.2
161.13268	2.6
163.11182	4.3
163.14830	1.1
165.09142	2.6
165.12764	0.8
167.10732	0.8
171.11650	1.9
175.11198	5.6
175.14867	1.4
177.09154	1.2
177.12697	1.2
179.10669	2.2
185.13248	1.1
188.01385	0.7
189.12769	1.4
193.12250	2.6
203.17921	6.3
205.19649	0.9
213.16409	3.3
213.18288	0.6
216.06410	1.2
221.18999	1.5
223.14905	0.9
228.09946	0.8
231.17458	8.7
241.15843	1.2
249.18481	7.8
277.17981	45.9
278.18317	1.4
280.19147	1.2
295.19049	17.1
320.22241	3.6
324.21603	1.1
344.91037	0.7
351.21652	61.8
352.21994	1.2
369.22711	24.3
370.22702	0.8
419.12106	0.7
431.18277	1.7
492.23999	1.0
492.32373	0.7
510.26440	1.9
511.28146	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.1606
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	3.6
53.81937	1.6
55.01861	4.2
55.05515	2.6
63.80095	1.8
65.03934	3.4
69.03410	7.6
69.05814	3.3
70.06578	7.8
71.04984	2.1
71.28461	3.7
71.47597	1.7
72.08164	2.2
73.02906	2.7
75.47617	1.9
81.03426	8.8
84.04478	2.9
85.02898	18.9
86.09658	3.6
87.00809	6.7
87.69982	1.6
91.05479	100.0
97.02892	17.7
99.04443	2.9
100.11257	9.2
100.95386	1.7
105.01868	4.1
109.02863	6.4
109.53392	1.8
120.08118	3.1
127.03899	11.2
137.06003	4.9
145.04953	3.6
159.02873	6.8
161.06006	2.3
167.03368	5.3
175.03860	2.2
175.07555	2.8
179.03317	2.3
182.15250	2.7
203.03279	2.0
204.10104	2.8
210.14850	3.5
218.81209	2.1
219.18828	2.1
233.04527	3.4
245.04443	4.8
251.06985	2.2
269.08038	11.8
293.08090	6.3
307.61459	2.3
311.09039	5.7
318.09543	8.6
332.28201	2.1
335.09106	12.5
353.10114	3.3
363.19110	6.0
439.10043	3.7
448.13736	2.4
448.59195	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	1.0
55.05494	2.3
57.03422	3.6
66.88967	1.0
67.05491	1.0
68.75399	0.9
69.03418	11.3
70.06576	4.3
70.35106	0.8
70.41246	1.7
70.41628	1.8
71.04611	1.8
71.04985	29.1
72.08165	2.0
73.02902	1.7
75.04455	1.7
79.05464	1.9
81.03407	2.0
81.07058	1.5
83.04957	7.3
84.04505	1.7
84.08125	1.9
85.02897	38.5
86.09698	4.6
87.04456	1.8
91.05448	1.5
94.06546	1.2
95.01327	1.0
95.04963	1.8
97.02876	2.1
99.04433	1.8
100.23636	1.0
102.51247	0.9
109.02894	1.4
110.03645	4.5
110.07159	3.0
111.04447	3.7
116.07113	1.3
120.08125	2.0
123.04420	1.6
125.05981	16.9
127.03935	1.9
129.05464	16.4
129.10199	1.1
139.03912	3.3
147.04448	1.3
147.06511	5.6
153.05447	40.7
154.06238	12.7
155.03352	1.6
164.09200	1.3
167.07005	1.8
170.05733	8.4
180.07970	1.1
182.05721	1.5
185.08072	100.0
186.08421	1.2
194.05746	2.7
197.08150	5.8
209.08115	5.9
209.15410	1.4
220.07364	1.7
227.09077	4.3
237.07623	1.3
251.09071	4.7
277.10721	11.4
285.12146	1.9
286.12570	2.8
293.10129	1.2
295.05978	2.8
295.11661	4.9
311.11166	1.5
313.12851	2.1
333.14386	1.8
334.14789	4.0
349.07059	1.3
427.09839	1.7
466.26321	1.8
492.17230	1.4
510.17868	4.4
515.83392	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.3471
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.1
54.99031	2.5
55.01857	4.2
55.05497	12.2
57.03417	3.6
57.07063	2.6
63.74328	2.5
67.05489	22.8
67.91487	2.6
69.03425	9.2
69.07062	21.7
70.06586	6.8
70.20538	3.2
70.20829	13.1
71.01286	2.6
71.04984	7.0
72.57441	2.4
79.05484	19.0
81.03405	10.4
81.07045	35.5
83.04963	8.5
83.08613	12.2
84.08138	4.6
85.02874	8.3
85.06528	6.7
89.06004	7.2
91.05442	15.4
93.07029	26.0
95.04957	9.3
95.08595	27.2
95.73388	2.5
97.02906	3.2
97.06495	7.6
97.10129	5.4
105.07018	18.7
107.04907	3.0
107.08584	19.1
109.02884	4.9
109.06501	9.5
109.10143	23.7
111.08082	6.8
115.05347	3.1
117.07027	9.8
119.08563	21.8
121.06466	6.7
121.10107	14.9
122.61040	2.4
123.08084	4.2
123.11712	13.5
125.05983	4.8
125.09641	4.9
126.18168	2.5
127.03883	5.3
127.07576	2.8
128.06180	3.7
129.06960	4.6
131.08543	8.9
133.08600	5.1
133.10103	12.9
135.08035	6.8
135.11665	7.0
137.05968	6.6
137.09587	10.9
137.13170	3.0
139.07509	4.3
139.11174	3.0
143.08562	2.7
145.04811	2.7
145.10080	9.1
147.11658	8.6
149.09604	8.3
149.13235	4.5
151.07510	6.8
151.11168	4.0
152.07047	3.6
153.05447	3.8
155.08537	3.9
157.10077	4.8
159.11658	7.1
161.09587	5.7
161.13213	5.2
163.07506	3.5
163.11157	3.5
165.09105	100.0
166.09425	8.7
167.06976	3.5
173.08081	5.7
173.09566	4.7
173.13229	3.3
175.11130	6.3
179.10603	2.8
181.10168	2.7
183.06667	2.7
189.09166	3.0
203.10587	2.7
203.17731	2.8
205.12254	4.4
207.13722	3.5
209.11737	4.8
253.09531	2.6
289.05243	5.3
320.69189	2.7
359.12173	3.1
455.31766	3.2
478.15689	2.9
491.33545	4.7
509.27936	4.3
509.34927	6.6
510.18719	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	509.347
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	0.7
55.05509	3.1
57.03419	0.9
57.07058	1.1
67.05493	7.7
69.03405	2.3
69.07053	3.2
70.06585	3.1
71.04976	1.8
71.75127	0.6
71.75478	0.7
72.08134	0.8
77.47831	0.6
79.05477	3.9
81.03407	1.7
81.07049	10.4
83.04960	1.9
83.08611	1.6
84.08112	1.2
85.02891	1.6
85.06531	1.6
86.09679	1.8
91.05457	4.2
93.07030	6.0
93.30536	0.7
95.04936	2.2
95.08604	7.8
96.74916	0.7
97.02876	1.0
97.06504	1.5
97.10160	1.4
99.04395	0.7
99.08066	0.9
101.05987	1.1
105.07013	4.7
107.04938	1.1
107.08572	5.4
109.02852	1.3
109.06508	1.8
109.10143	11.5
110.07179	0.8
111.04376	0.7
111.08081	0.8
113.09719	0.7
117.07001	1.2
119.08561	5.3
121.06483	1.5
121.10103	3.6
122.07278	2.4
123.08026	1.3
123.11687	3.1
125.09579	1.3
127.07506	0.7
127.11118	0.8
128.05307	0.7
129.10208	0.7
131.08545	2.3
133.10106	2.7
135.08049	1.5
135.11690	2.3
137.05954	1.8
137.08586	1.1
137.09601	13.7
137.13269	1.6
139.11115	1.0
143.08543	1.5
145.10104	2.5
147.08003	1.2
147.11667	1.3
149.05928	0.8
149.09616	2.7
149.13226	1.9
153.09157	0.9
155.10605	1.0
157.10005	1.1
159.07977	0.8
159.11626	1.3
161.09679	1.4
161.13235	1.0
163.07530	1.2
163.11147	1.4
165.09097	100.0
166.09453	1.2
167.06927	1.6
169.08649	1.1
169.10039	0.9
171.10045	0.7
171.11539	0.8
173.08084	1.7
173.09605	0.7
173.13170	1.2
177.09085	0.9
179.10698	1.5
187.11185	0.9
187.14821	1.2
189.12726	0.7
191.14331	1.0
193.12192	0.9
201.16440	1.2
202.81522	0.8
203.10678	1.4
205.12151	3.1
225.04907	0.7
229.09950	0.7
263.20181	0.7
293.24509	0.9
321.24191	1.4
339.25269	1.0
363.19119	0.7
408.00720	0.6
427.32224	1.3
443.35135	0.9
445.33121	1.3
455.31647	1.2
473.32355	1.5
509.27679	1.0
509.34839	0.8
510.18784	1.0
518.05212	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2872
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31282	2.3
55.05505	16.0
57.03414	6.8
61.89820	2.4
63.59526	2.2
67.05497	32.9
69.07063	17.3
71.76027	3.4
72.08141	4.9
79.05482	5.7
81.07047	29.3
81.32195	2.2
82.71494	2.2
83.08617	5.3
89.22398	2.2
91.05459	5.3
93.07011	7.3
95.08605	21.7
97.10163	4.8
98.98446	44.5
105.07010	4.6
107.08640	2.4
109.10127	10.4
111.72614	2.3
119.08585	3.5
121.10090	3.4
133.10117	3.1
135.11691	3.7
147.11705	3.6
155.01009	6.0
173.02066	7.4
199.14828	2.8
245.22836	3.2
263.23578	5.3
337.27322	100.0
473.26834	5.0
491.91733	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	509.2748
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	24.6
55.05493	35.8
67.05495	48.8
69.07060	23.2
69.73378	35.4
69.73812	36.3
71.08627	8.4
71.16463	8.7
72.08144	100.0
78.67998	8.3
79.05484	29.8
81.07048	60.1
81.46867	9.6
83.01341	13.8
85.67619	9.8
91.05487	57.0
93.07038	52.8
95.04957	16.1
95.08582	24.5
97.66580	9.2
98.21528	11.4
105.07005	45.3
107.04951	14.3
107.08580	16.2
109.06509	11.6
109.10136	13.6
113.02352	11.6
117.06979	24.8
119.08569	29.8
120.08102	80.4
121.10130	21.9
125.02333	13.5
127.03867	10.6
129.07005	9.3
131.04976	11.7
131.08585	28.8
133.06404	12.2
133.10034	15.1
135.04396	13.2
135.08145	9.7
136.07579	89.4
137.05952	8.7
139.18060	9.6
143.08530	12.0
145.06471	32.1
145.10127	23.4
147.11684	18.8
149.09578	12.0
157.10072	15.0
159.07976	12.0
159.11584	10.5
161.05954	11.5
161.09647	19.2
163.03938	22.0
163.11191	13.6
165.58789	10.2
171.14926	20.2
173.05951	10.5
181.04910	13.6
187.07486	13.2
187.10977	9.7
189.05502	20.2
219.14977	17.6
227.10606	10.9
245.11693	21.9
247.14433	37.0
247.40123	10.0
263.13806	15.8
283.14264	9.5
311.13931	17.4
343.18997	10.1
351.18445	11.8
353.20502	23.2
355.22488	10.1
369.20578	66.5
371.22012	15.7
372.47406	9.7
375.21689	17.3
381.20483	25.7
389.23083	18.2
399.21515	63.2
410.20737	12.8
417.22559	71.2
431.24152	24.3
435.23889	28.6
443.24512	23.4
449.25336	11.5
503.03268	9.9
509.27133	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	508.2388
Annotation	Unknow
Peak:m/z	Relative Intensity
54.90331	0.4
57.05919	0.4
69.07085	0.5
69.82905	0.4
70.06593	1.0
71.74782	0.9
72.08150	0.6
84.08121	1.0
85.02923	0.5
86.09698	100.0
87.10069	0.7
91.05488	0.6
110.07179	0.4
116.07089	0.4
119.04930	2.1
129.10190	0.5
132.10191	75.1
133.10577	0.5
136.06197	1.5
137.05949	8.8
147.04405	4.2
157.03426	0.7
179.07019	4.4
197.08118	1.3
221.05037	1.2
239.06073	2.4
301.07587	0.9
303.21265	0.5
319.01642	0.8
401.05701	1.7
481.08081	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2738
Annotation	(+)-N(6)-Hydroxyaphelandrine
Peak:m/z	Relative Intensity
53.03929	7.4
55.01863	21.1
55.05492	21.7
57.03413	14.4
67.05492	57.1
69.03412	8.0
69.07039	11.1
71.64148	10.8
79.05491	44.1
81.03420	11.9
81.07040	58.7
83.01331	10.6
83.08622	13.8
85.63742	7.5
91.05479	67.3
93.07024	37.2
94.38409	7.3
95.04945	20.3
95.08598	34.4
105.07025	50.6
107.04919	19.1
107.08581	17.8
109.06473	12.9
109.10103	10.8
115.05450	12.9
117.06979	35.9
119.04924	13.5
119.08564	31.4
121.06484	14.5
121.10133	17.9
125.02350	17.2
128.06262	7.7
129.07008	21.4
131.04936	11.7
131.08557	27.9
133.06493	14.6
133.10127	17.5
135.04443	10.9
135.08092	8.7
135.11682	9.7
135.94937	8.9
139.03893	11.8
143.08554	14.6
145.06476	16.1
145.10104	14.1
147.08017	8.2
147.11673	18.3
149.06001	13.9
149.09610	27.0
149.13260	8.3
151.11180	10.9
155.03398	10.1
155.08534	15.1
157.10120	8.4
158.47641	8.7
159.04358	9.4
159.08069	12.5
159.11693	10.8
161.05948	17.3
161.09595	10.9
163.03882	16.8
163.11234	14.7
165.05487	8.0
165.12796	8.7
169.10138	11.6
171.08043	11.4
171.11787	10.6
173.05966	14.0
173.09644	12.7
175.11159	9.5
177.05412	17.2
179.10532	11.2
181.04872	10.8
185.05905	9.6
185.09503	9.7
189.05380	9.4
195.11639	10.3
195.38148	7.7
205.08505	10.9
219.10141	9.9
245.11748	15.6
255.13791	11.7
257.36194	8.9
259.13388	9.6
297.14798	8.1
298.53998	8.4
300.14594	8.4
329.21039	8.4
343.18961	19.1
343.22620	8.8
353.21033	10.3
369.20584	52.7
371.22186	24.1
375.21652	10.6
381.20508	28.3
389.23157	18.2
399.21561	80.2
417.22641	100.0
431.24020	11.9
435.23853	35.0
443.24142	18.1
482.65680	8.6
491.26495	16.8
509.27548	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	508.202
Annotation	Unknow
Peak:m/z	Relative Intensity
56.51664	0.7
60.04504	2.8
70.06580	5.0
71.74318	1.2
72.98608	0.8
79.05457	0.8
84.04470	1.0
84.08141	4.6
85.02879	0.9
86.06074	1.7
103.05464	5.5
107.04929	1.2
109.53805	0.8
110.07164	2.8
120.08088	100.0
121.08447	0.8
129.10210	2.9
131.04861	2.4
136.06180	6.1
149.05986	1.8
150.00139	0.7
166.08615	52.2
196.38266	0.8
230.08438	0.9
452.88293	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.145
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00778	11.0
64.25895	9.7
69.03439	11.6
69.97296	17.5
69.97694	37.2
70.06557	28.5
79.05502	15.3
81.07049	15.3
84.08157	12.8
85.02889	24.5
86.09689	10.3
91.05462	28.9
94.06581	10.8
95.08576	12.9
97.02885	19.9
102.05462	9.2
103.03864	12.1
103.13557	9.1
105.07011	16.4
109.02799	11.3
123.04349	12.6
127.14265	9.2
135.04340	15.6
137.02333	100.0
154.78397	9.6
161.02443	16.2
162.05457	13.2
164.07066	12.8
165.01802	20.8
166.08669	11.0
175.03925	10.0
176.07027	15.6
183.03046	11.9
191.63397	14.1
192.06522	19.5
194.08179	13.8
195.02791	10.8
205.04984	20.6
215.03644	13.7
219.02992	17.0
243.06425	14.9
251.07265	10.0
255.06548	11.6
271.06058	15.5
276.78378	10.1
284.45462	10.6
285.07547	18.6
287.05463	13.4
295.05969	22.1
297.07471	45.3
299.05380	35.3
299.08478	11.5
300.08688	13.7
301.06927	16.7
311.05450	34.8
313.06979	16.0
315.04898	15.0
323.05582	16.2
325.07077	36.3
327.08640	12.5
328.08209	51.5
328.21164	11.1
329.06555	40.6
339.05038	14.2
340.08072	38.8
341.06458	36.4
342.56631	11.4
345.06042	35.4
346.22354	63.8
349.07220	15.5
353.06329	19.4
358.09412	12.6
370.09128	27.5
371.07587	32.9
388.10098	41.1
395.07452	24.5
454.11560	16.5
472.12555	22.1
473.10687	29.4
490.13525	86.8
491.12161	25.9
508.13937	30.3
508.27628	13.2
526.15900	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	507.3681
Annotation	R1-Barrigenol
Peak:m/z	Relative Intensity
53.03952	2.9
55.01862	2.0
55.05505	25.3
56.14443	2.2
57.03429	7.3
57.07074	9.1
59.04997	3.4
65.03936	2.8
67.05501	100.0
67.63825	2.2
69.03402	2.1
69.07063	16.6
71.04991	3.2
71.08640	6.5
71.72846	3.5
74.13531	2.1
79.05494	32.1
81.07051	64.1
83.04985	4.3
83.08617	16.0
85.06526	3.8
85.10187	4.2
87.04446	2.8
91.05470	22.4
93.07042	29.7
95.04959	4.4
95.08600	49.2
97.06523	2.5
97.10178	17.5
99.08065	2.9
105.07015	21.5
107.08598	26.2
109.10150	60.1
111.08079	4.7
117.07012	5.4
118.15099	2.2
119.08588	21.1
121.10127	20.4
123.11716	8.6
125.09618	10.6
129.07043	2.5
131.08559	14.2
133.10110	15.5
135.11662	10.6
137.09639	3.7
137.13239	2.7
139.11171	3.1
143.08565	3.5
145.10101	13.5
147.11685	11.7
149.09579	2.8
149.13252	9.8
151.11211	3.4
153.09186	2.4
155.08572	2.7
157.10187	4.2
159.11688	7.7
161.13239	10.2
163.14833	4.2
167.34012	2.0
171.11691	3.0
173.11734	14.9
173.13249	6.3
175.14825	4.1
187.14810	5.2
189.11209	10.3
189.16377	2.6
195.00346	6.0
201.16246	2.3
227.12695	13.2
229.14333	32.4
259.20703	2.7
261.22113	20.9
275.20013	3.7
293.20993	2.3
335.25824	22.0
379.29962	5.6
397.30981	7.9
415.31967	9.3
433.33310	6.7
471.34662	6.4
489.35757	42.7
507.36435	27.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.3679
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.0
55.01865	2.9
55.05507	28.5
57.03426	7.9
57.07069	14.9
59.04994	2.3
63.80548	1.5
63.91845	1.5
65.03928	2.4
65.24863	1.6
67.05500	100.0
69.03419	1.9
69.07060	21.8
71.04985	5.6
71.08622	6.9
79.05486	35.1
81.03385	3.1
81.07053	75.3
83.04967	4.4
83.08611	19.7
84.42838	1.6
85.06546	4.3
85.10162	5.2
88.29542	1.5
91.05478	21.0
93.07035	39.8
95.04946	6.8
95.08597	46.8
97.06509	4.7
97.10153	14.9
105.07032	17.5
107.08577	30.2
109.06490	1.8
109.09407	3.2
109.10146	51.2
111.08054	4.9
111.11714	1.5
112.44317	1.5
113.09618	2.6
117.07007	8.2
118.08224	1.9
119.08562	18.7
119.76387	1.6
121.10137	20.7
123.11703	11.7
125.09624	11.4
125.76595	1.6
129.06923	2.3
131.08557	13.5
133.10136	13.5
135.08038	2.7
135.11676	14.2
137.09583	3.5
137.13266	2.9
137.90334	1.6
139.11201	3.5
143.08548	3.1
145.10097	6.5
147.11656	9.8
149.13231	13.3
153.09003	2.2
155.10675	2.8
157.10066	2.2
159.11691	11.7
161.13242	7.0
163.14812	3.5
171.11740	3.1
173.11723	12.9
173.13239	7.8
177.12782	2.9
184.15907	1.6
185.13261	3.3
187.14790	3.2
189.11226	8.2
195.13805	3.2
227.12782	9.5
229.14313	23.8
239.23608	3.4
240.65712	1.7
243.21025	2.6
259.20703	2.1
261.22147	22.9
263.23727	2.8
279.23199	2.0
335.25766	18.4
379.29755	3.8
397.31055	5.9
415.32037	7.2
433.32874	7.0
471.34460	2.3
489.35788	33.7
507.28226	3.3
507.36429	17.6
507.40161	16.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.3677
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78584	1.7
52.80928	1.4
53.03946	2.7
54.13486	1.8
55.01876	2.2
55.05504	25.6
57.03431	7.9
57.07066	11.2
59.04998	2.4
61.91027	1.4
62.71719	1.6
64.97333	1.6
67.05499	100.0
67.21467	1.5
69.03391	1.9
69.07063	16.1
70.98262	4.5
71.04979	3.5
71.08607	7.8
79.05491	30.1
81.07048	62.2
83.04955	3.9
83.08614	18.3
83.36829	1.4
85.06546	4.4
85.10189	2.3
91.05474	19.2
93.07041	40.4
95.04964	4.2
95.08597	48.7
97.06504	4.0
97.10175	14.6
99.08067	2.2
99.94019	1.5
105.04535	2.0
105.06994	14.4
107.08580	25.1
108.28790	1.7
109.06504	2.0
109.10149	67.3
111.08070	4.8
117.06986	7.5
119.08558	17.0
120.71104	1.8
121.10138	18.1
122.17703	1.7
123.08057	2.2
123.11710	8.2
125.09602	12.1
129.07031	2.4
131.08563	13.8
133.10121	14.2
135.08038	1.7
135.11664	11.4
136.06180	2.1
137.09595	3.1
137.13184	2.5
139.11066	1.5
143.08588	2.0
145.10123	11.8
145.24017	1.8
147.11697	7.3
149.13235	11.0
153.12718	1.9
155.10735	2.0
159.11647	8.9
161.13278	6.9
163.14774	2.7
171.11601	2.3
173.11729	16.8
173.13271	6.3
175.14900	1.7
177.12750	2.5
185.13190	3.6
187.14798	3.9
189.11221	8.5
195.13799	3.2
199.14868	2.0
227.12753	12.1
229.14310	31.8
243.20993	5.7
259.20554	2.4
261.22098	25.5
277.21692	1.7
317.24695	4.1
335.25800	20.1
379.29822	2.3
397.31006	7.5
415.32120	10.2
431.32025	2.2
433.33081	9.2
471.34253	3.4
489.35681	34.4
490.36520	2.1
507.36661	17.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.3678
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	13.7
55.05509	41.8
57.03413	7.3
57.07064	13.5
62.17072	4.1
63.17965	4.8
67.05498	90.0
69.03419	7.1
69.07063	34.5
69.44186	49.3
71.04984	8.9
71.08638	27.0
79.05492	55.5
81.07056	100.0
83.04961	9.9
83.08612	30.1
85.06534	7.2
90.39827	4.7
91.05466	50.4
93.07039	49.9
95.04939	14.9
95.08605	59.9
97.06525	12.0
97.10187	22.4
98.20725	8.4
99.08087	19.4
103.05506	6.0
105.07015	47.8
107.04931	9.1
107.08589	43.8
109.10176	28.9
111.08064	11.1
117.06998	16.4
119.08547	33.3
121.06550	9.8
121.10100	24.2
123.11699	9.3
125.09647	11.4
129.06967	12.8
131.08543	28.9
133.10110	30.2
135.08006	8.7
135.11665	17.0
135.40842	4.6
137.09572	5.9
141.06979	5.1
143.08530	11.2
145.10120	21.6
147.11658	12.9
149.13255	22.0
151.11137	10.5
157.10110	15.6
159.11711	17.2
161.13242	9.9
165.12729	8.1
171.11653	10.8
177.12779	10.1
187.14890	7.0
189.11191	12.5
195.11867	6.6
195.13785	11.6
199.14763	7.1
259.20920	4.6
277.21631	34.5
295.22641	19.9
303.23062	7.3
317.24893	5.2
352.46759	5.2
355.26227	9.2
357.24033	5.1
375.25125	14.6
389.26617	5.6
453.33762	8.5
471.34656	22.8
489.35638	31.7
533.55603	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	507.2716
Annotation	Amoritin
Peak:m/z	Relative Intensity
50.12867	1.6
53.03912	2.0
55.05504	13.3
57.03432	8.6
57.07064	12.9
58.04391	1.8
59.04971	2.4
67.05499	47.9
69.03409	1.5
69.07053	14.4
70.23570	5.0
71.08626	8.9
72.08111	1.7
72.30962	1.6
73.02894	2.0
73.80287	1.6
79.05486	25.0
81.07043	44.5
83.08624	9.0
85.10168	7.7
87.04440	3.5
89.06023	16.3
89.77988	1.7
91.05476	18.0
93.07037	34.9
95.04954	3.3
95.08603	35.4
97.06497	2.0
97.10165	2.1
98.98456	51.8
102.61296	1.8
105.07013	10.2
107.08585	19.7
109.06496	2.4
109.10117	12.1
111.08034	2.0
117.07030	4.1
119.08540	11.8
121.10131	15.4
123.08070	3.2
123.11696	7.1
130.08601	2.1
131.08551	9.8
133.08563	8.0
133.10088	9.0
135.11674	8.8
137.13254	2.2
145.10075	7.2
147.11687	7.4
149.13237	6.9
155.01041	18.7
159.11658	5.7
161.13216	3.5
163.11063	1.7
163.14862	3.4
173.02126	7.9
173.13251	3.6
175.14832	3.0
177.12567	1.8
187.14726	2.6
204.97423	1.7
229.04810	3.0
243.21107	7.1
247.05696	2.5
261.22128	15.4
275.20044	4.4
299.23581	2.3
317.24768	12.2
335.25775	100.0
336.26157	3.3
380.77679	1.7
391.05548	1.7
415.22302	1.9
456.88748	2.0
471.25012	3.0
471.84283	1.7
519.90106	1.9
527.75696	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2586
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	7.0
55.01864	27.0
55.05508	38.9
57.03434	13.9
57.07074	3.1
65.03938	6.4
67.05501	52.6
69.03423	14.1
69.07061	19.5
69.52548	23.4
69.52957	6.9
70.06592	3.6
71.01324	2.9
71.04980	8.2
72.08153	4.0
73.02916	2.8
73.20908	2.9
79.05486	48.3
80.88931	3.3
81.03411	10.0
81.07050	65.4
83.01327	6.2
83.04980	5.5
83.08606	9.8
85.02893	5.4
85.06532	5.7
91.05473	70.2
93.03374	5.7
93.07039	41.0
95.04967	18.8
95.08610	35.7
97.02881	5.9
97.06521	6.8
97.10123	6.5
101.02408	2.7
103.05480	8.9
105.07030	47.6
107.04935	11.7
107.08593	27.1
109.02857	6.4
109.06503	9.0
109.10159	16.3
111.08059	3.9
113.02385	4.3
115.05428	14.8
116.06187	6.8
117.07017	29.1
119.04915	5.4
119.08573	32.8
121.06485	12.6
121.10110	18.1
123.04444	6.4
123.08035	8.0
123.11691	11.2
125.02351	6.3
125.09632	5.1
127.03883	3.8
128.06226	13.3
129.05457	3.6
129.06996	31.9
130.07718	4.3
131.04947	9.5
131.08577	31.8
133.06496	17.4
133.10138	16.3
135.04384	5.9
135.08032	11.6
135.11670	6.3
137.02394	3.7
137.05991	3.1
139.03868	6.6
141.06985	14.8
142.07764	9.9
143.04900	4.6
143.08562	26.0
144.05766	4.9
145.06493	21.4
145.10121	24.9
147.04419	10.1
147.08069	14.6
147.11696	20.4
149.02357	6.1
149.05968	6.7
149.07100	2.8
149.09627	7.3
151.03874	5.0
151.11179	4.0
153.05414	4.3
153.06958	6.6
154.07805	3.8
155.03325	6.3
155.08533	13.4
155.79277	3.9
156.09265	3.2
157.06500	16.8
157.10127	21.5
158.07111	3.6
159.04414	7.3
159.08049	25.8
159.11693	13.2
161.05991	10.1
161.09593	13.2
163.03854	8.2
163.07532	2.7
163.11232	6.2
165.01788	3.5
165.05589	4.0
165.07004	6.3
165.12701	7.0
166.07799	5.2
167.03433	2.9
167.08530	7.0
168.09346	3.0
169.06451	5.9
169.10124	15.5
171.04308	4.2
171.08058	11.2
171.11674	11.0
173.05959	8.9
173.09602	17.5
173.13229	5.0
175.03972	6.6
175.07576	13.5
175.11145	9.0
177.05516	4.6
177.09079	8.3
178.07872	3.4
179.06975	4.1
179.08430	7.3
181.10136	6.7
183.08023	6.3
183.11655	11.1
184.41930	2.8
185.05997	11.9
185.09543	16.1
187.03928	4.3
187.07501	18.6
187.11162	5.7
189.05455	9.4
189.09105	8.2
189.12785	5.8
191.07028	8.3
193.04976	3.8
193.10141	4.5
195.08023	6.9
195.11829	5.3
197.06076	3.0
197.09608	10.3
199.03935	12.1
199.07536	11.8
199.11209	9.8
201.05482	6.9
201.09116	13.2
203.06989	10.8
203.10550	3.9
205.08560	5.7
209.09584	7.6
209.13206	4.5
211.07619	5.5
211.11168	10.4
213.05487	10.3
213.09081	16.4
213.12750	3.3
215.07048	9.4
215.10654	10.1
217.05055	6.0
217.08546	14.1
225.09137	7.2
225.12817	6.3
227.06935	6.9
227.10666	7.8
229.08669	8.4
229.12166	5.1
231.06462	7.1
231.10088	7.3
233.08057	4.3
233.11665	3.5
235.05830	7.2
237.09134	5.8
239.06993	5.9
239.10721	6.1
241.08636	20.5
241.12418	3.9
243.10217	9.6
245.11678	3.7
247.05943	3.7
253.12163	4.2
255.10114	7.1
257.08212	4.0
257.11612	3.6
267.10153	6.5
271.09705	4.2
273.18521	9.8
281.11737	3.8
283.13266	4.0
285.11209	4.7
297.18430	4.9
299.12668	5.1
300.16287	3.2
311.12564	3.6
313.17880	4.9
315.19519	5.7
317.13901	5.6
323.19937	4.7
325.17856	5.1
327.19470	7.6
329.13577	3.7
333.18298	5.7
337.17969	5.7
341.17447	10.2
341.21158	6.2
345.13376	12.0
347.15082	3.9
349.18076	6.5
351.19629	19.8
353.21149	8.1
355.18994	10.7
359.18539	7.2
361.18173	3.5
367.19000	26.4
369.20313	16.0
371.21991	4.2
373.20123	6.1
379.19061	30.2
385.19934	5.3
387.21671	12.8
397.20114	58.8
398.20627	3.0
415.21118	100.0
416.21350	4.2
433.22266	22.2
441.22714	5.7
471.23965	7.0
489.24545	13.4
489.31158	3.5
507.25848	75.2
508.25955	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.5
55.01853	1.1
55.05496	2.7
57.03412	2.3
65.03930	1.0
66.02720	0.7
67.05139	1.4
67.05499	27.7
69.03420	3.5
69.07052	1.2
69.50734	2.3
69.51163	4.9
70.06583	1.6
71.04984	4.9
79.05469	2.5
81.03409	38.7
81.06561	0.9
81.07043	16.8
85.02887	2.2
91.05453	3.1
93.07038	4.5
94.04513	0.7
95.04954	4.2
95.08595	9.0
97.06610	0.8
99.04446	12.5
99.08058	1.4
105.06999	1.1
107.08562	2.4
109.02869	36.5
109.06490	2.5
109.10149	63.9
110.10487	1.1
117.07018	0.8
119.08556	4.0
121.10158	1.2
123.04391	1.0
125.05971	2.5
127.03889	6.6
137.02316	0.8
137.09602	100.0
138.09927	1.5
145.05008	1.1
147.04362	1.8
147.08067	1.1
155.10645	10.4
164.06938	1.0
165.09106	82.0
165.91655	0.7
166.09491	1.0
183.10149	8.3
201.11180	16.8
242.31508	0.8
245.06248	0.8
296.08957	0.9
304.07980	0.9
309.13235	6.1
314.10373	0.9
327.14401	21.3
328.14645	1.8
345.15405	4.4
349.52344	0.7
385.33533	0.8
489.19556	2.4
507.21518	7.6
524.88025	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.4
55.01856	1.6
55.05497	2.7
57.03418	2.4
60.04510	1.1
65.03902	0.7
67.05495	24.9
69.03420	4.0
69.07039	1.5
70.06583	6.7
71.04990	5.8
71.30819	0.9
71.31153	1.2
72.08149	3.9
79.05486	2.9
81.03408	36.5
81.07048	14.5
84.04504	1.1
84.08147	1.8
85.02888	3.6
86.09671	2.1
91.05467	2.6
93.07027	4.3
93.25864	0.7
93.86427	0.7
95.04952	4.9
95.08595	8.8
97.02904	0.9
99.04436	13.6
99.08065	0.7
99.82792	0.7
103.05482	0.8
107.08542	3.2
109.02869	34.7
109.06501	2.0
109.10143	61.6
110.10451	1.6
111.08046	0.7
113.05970	1.2
119.04972	1.0
119.08572	4.2
121.10133	1.5
125.05959	3.6
127.03905	6.0
127.04823	0.9
127.07535	0.8
127.08712	0.7
130.04955	0.9
131.04849	0.9
137.02299	0.7
137.09599	100.0
138.09933	1.4
145.04904	2.4
147.04387	2.9
148.04762	1.0
155.10638	14.3
165.09100	70.2
166.09509	0.8
183.10136	8.3
201.11186	17.6
233.39049	0.7
309.13333	4.4
327.14365	24.9
328.08737	0.7
328.14725	1.2
331.38770	0.8
345.15463	5.5
358.06177	0.7
489.19528	2.0
507.20541	5.7
507.29459	7.3
507.79742	2.3
534.41742	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2014
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71616	2.0
55.01846	2.2
60.04493	2.2
65.03924	3.5
67.05479	2.2
69.60650	15.9
70.06596	4.9
78.99263	2.0
79.05491	3.1
91.05472	46.7
94.04177	4.8
95.04945	6.8
96.75616	2.1
98.20718	5.1
107.04956	2.6
115.05400	2.1
119.04934	31.5
122.03633	10.5
129.07016	4.3
131.04956	2.5
135.04395	2.5
136.05214	4.7
137.05965	100.0
138.06287	4.1
149.05960	20.1
151.07527	92.4
157.06479	3.4
160.36821	2.4
163.07570	3.4
175.07535	11.6
181.06438	5.2
184.05156	3.4
187.07549	7.2
199.07518	61.2
201.09061	2.8
203.08612	5.4
211.07567	5.3
213.09039	3.2
220.08693	2.8
231.08087	7.1
232.08931	3.2
234.06715	2.9
235.07274	3.5
241.08803	2.4
248.08340	9.3
249.09074	4.3
253.08623	4.3
255.10002	2.2
259.09674	11.6
260.08118	3.2
261.08932	3.4
262.10031	3.2
263.07248	2.3
263.10678	8.3
265.08594	2.7
271.56241	2.3
275.10394	4.1
276.07813	5.4
277.08551	7.1
278.09308	3.3
285.11560	2.8
289.08429	4.7
291.10092	21.8
292.10635	2.8
294.08801	3.4
295.09711	3.2
303.10092	6.0
305.08203	3.2
305.11737	5.1
306.08759	3.7
307.09641	5.9
308.10355	6.3
309.11124	4.0
315.09952	5.2
317.11493	2.9
320.10468	4.6
321.11185	20.7
323.12729	29.2
333.11154	4.4
335.12808	27.8
347.12753	4.9
351.12271	7.4
353.13937	3.6
365.13733	3.3
380.82474	2.5
403.11447	2.7
418.13992	14.0
431.14801	3.6
435.05676	2.5
439.15012	3.2
459.18137	15.4
471.17731	8.4
489.18848	10.6
507.20621	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2014
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16465	0.3
53.03941	0.6
55.01867	0.6
56.05012	0.4
59.17616	0.3
63.26711	0.3
65.03929	1.0
66.04719	0.7
69.03410	0.3
70.06583	3.4
71.15826	0.6
72.08150	0.8
79.05472	1.5
81.07051	0.6
84.04486	0.6
84.08118	1.0
86.09690	2.1
91.05460	3.3
93.07011	0.5
94.04173	3.2
94.40125	0.3
95.04959	1.3
103.05453	19.0
105.07014	3.9
107.04941	1.5
109.06479	0.6
110.07162	0.5
111.04375	0.8
115.05470	1.7
117.06979	0.8
119.04920	1.6
120.08080	1.2
120.84869	0.3
121.06468	0.7
122.03636	9.3
123.04419	0.5
129.07018	0.8
131.04913	34.5
132.05183	0.3
133.02834	1.3
133.06471	3.8
135.04378	0.9
137.05960	100.0
138.06300	1.2
141.06958	0.5
143.05037	0.4
144.05640	0.5
145.06436	1.8
146.03624	1.0
146.07317	0.4
147.04413	1.3
147.07983	0.5
149.05978	2.0
151.03871	1.2
151.07553	1.6
153.05453	0.6
157.06410	0.5
159.04475	0.4
159.08038	0.9
161.05965	9.2
163.07524	19.6
165.05545	0.4
165.06973	0.6
172.05180	0.9
175.07576	1.8
176.04634	0.4
177.05412	0.5
177.09102	1.5
178.07845	0.8
179.06978	0.6
181.06546	0.4
185.05901	0.4
187.07526	4.4
189.06993	0.6
189.09064	0.4
190.07750	0.6
191.07034	3.1
191.08594	0.8
194.07228	0.5
195.08054	0.6
199.07538	1.5
201.09090	1.0
203.06947	0.5
205.06589	0.7
205.08601	0.9
206.07243	0.4
207.08025	0.4
209.05939	0.4
211.07465	0.9
215.07050	1.6
218.07112	0.5
219.07999	1.6
220.08739	0.4
221.09601	0.8
222.06630	0.3
225.09108	0.6
227.07045	0.3
229.08665	0.9
234.06752	1.1
235.07492	0.7
235.09721	0.4
236.08438	0.4
237.09129	0.8
241.08467	0.4
247.07553	0.8
249.09175	1.8
251.10666	1.3
253.08623	0.6
261.09091	0.5
265.08566	1.6
266.09265	0.6
267.10083	0.6
271.09729	0.4
277.08517	1.7
279.10104	2.0
281.11646	0.4
283.09787	0.7
285.11279	1.1
287.12936	0.4
291.10245	0.7
295.09772	0.6
297.11243	1.4
309.11188	3.5
310.12021	0.5
311.12756	4.2
315.12253	0.6
321.11124	1.0
327.12222	4.2
328.12976	0.6
335.12842	1.0
346.29590	0.4
353.13766	1.1
365.13910	0.6
459.17981	0.4
477.19025	0.5
489.19031	0.8
507.19803	0.4
508.21262	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2012
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01845	0.5
57.08625	0.3
65.03918	0.5
66.04705	0.9
70.06589	2.6
71.15934	0.5
71.16277	0.3
72.08135	1.0
79.05483	1.4
81.07027	0.5
84.04472	0.4
84.08118	0.9
85.02887	0.4
86.09682	2.1
89.07139	0.3
91.05471	3.3
93.07069	0.4
94.04173	3.4
95.04948	1.2
103.05455	17.4
105.07030	3.4
107.04926	0.9
111.04387	0.6
115.05454	0.8
115.08682	0.3
117.07059	0.6
118.23512	0.3
119.04946	1.7
120.08099	1.0
121.06460	0.7
122.02780	0.5
122.03637	7.4
122.04507	0.4
123.04416	0.5
125.05939	0.6
128.06186	0.6
129.06943	0.8
130.89293	0.3
131.04913	33.6
132.05412	0.4
133.02834	1.1
133.06461	2.7
135.04414	0.8
136.07628	0.4
137.05960	100.0
138.06270	1.8
144.05690	0.8
145.06465	1.7
146.03651	0.6
147.04408	1.7
148.05086	0.3
149.05998	1.2
151.03925	0.8
151.07556	2.3
153.05467	1.0
157.06442	0.7
159.08046	0.7
160.05156	0.7
161.05978	7.4
161.07330	0.5
163.07523	15.5
165.05496	0.4
169.06462	0.6
172.05196	0.7
173.05968	0.4
174.06734	0.4
175.07549	2.2
177.05449	0.6
177.09102	2.1
178.07706	0.4
179.07077	0.6
179.08498	0.5
185.05972	0.7
186.06676	0.4
187.07538	3.9
189.05458	0.4
189.07085	0.5
189.09013	0.4
191.07011	2.5
191.08508	0.6
194.07169	0.5
199.07510	1.2
201.09091	1.0
203.06972	0.6
203.08688	0.6
205.06863	0.3
205.08545	1.5
206.07173	0.4
210.06677	0.4
211.07506	0.7
215.05121	0.4
215.07040	1.2
219.08035	1.5
221.09575	0.5
222.06819	0.4
223.07455	0.5
225.08958	0.5
229.08667	0.9
231.08095	0.4
234.06754	0.9
235.07494	0.4
237.08978	0.5
246.06706	0.3
247.07562	0.6
248.08292	0.4
249.09097	1.4
251.10698	0.9
253.08553	0.5
261.09219	0.4
263.07224	0.4
265.08557	2.1
267.10272	0.3
277.08627	2.2
279.06931	0.5
279.10101	1.5
281.11630	0.7
283.09723	0.4
284.10431	0.4
285.11169	1.5
287.12793	0.6
289.08368	0.6
291.10242	0.7
293.11600	0.4
295.09570	0.4
296.10074	0.3
297.11249	1.5
307.09738	0.5
309.11115	2.1
310.12119	0.9
311.12787	2.2
315.12451	0.5
321.11188	0.7
327.12265	2.8
328.12839	0.4
335.12848	0.9
339.12344	0.4
353.13824	0.8
365.13885	0.9
369.13284	0.4
459.18124	0.6
477.19174	0.5
489.18817	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1991
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06402	1.5
55.05493	3.2
56.96555	16.1
57.03443	1.8
67.05486	3.2
67.24435	1.8
68.87244	1.5
69.07044	3.2
69.86396	10.6
79.05473	2.9
81.07045	3.9
85.32104	1.4
91.05453	2.5
93.07043	3.4
95.08585	2.8
98.21461	2.3
98.97540	2.5
105.07001	2.8
107.08560	2.0
107.67439	1.7
109.10116	2.5
128.12488	1.6
128.98552	2.3
146.99687	2.5
147.04396	3.0
163.03976	1.5
164.87448	1.7
175.02663	1.9
185.04874	2.7
199.06319	2.2
201.08034	2.6
203.06017	2.4
213.07928	4.5
227.05788	1.6
231.08992	6.7
239.09500	2.8
241.11099	4.6
259.12137	6.9
281.10532	3.7
331.15839	4.6
333.17322	53.6
349.16901	11.2
351.18390	100.0
352.18729	4.9
369.19485	2.5
372.18750	2.5
374.19989	20.0
429.15704	3.1
447.16898	16.4
465.17877	8.4
488.19351	2.8
507.19879	36.2
508.21729	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1133
Annotation	3,3',4-tri-O-Methylellagic acid 4'-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
55.01870	1.4
55.05501	0.9
56.05038	0.9
57.03424	1.7
61.02921	1.1
67.05497	1.2
69.03429	2.0
70.06597	4.4
71.73185	1.3
72.08155	3.1
74.66312	0.9
79.05492	1.6
81.03420	2.6
81.07072	1.1
84.04456	1.0
84.08125	1.1
85.02908	4.4
86.09702	2.7
91.05466	1.0
93.03412	1.3
93.07056	1.7
95.04967	1.0
95.08646	1.0
97.02889	2.4
105.03367	1.0
105.06992	1.4
107.04944	3.2
109.02866	3.5
111.04437	1.6
119.08594	1.0
120.08080	1.0
121.02866	1.7
121.06500	1.8
127.03932	1.0
129.10211	0.9
131.04892	2.6
135.04407	6.7
137.02348	9.6
137.05969	5.4
137.09628	1.4
145.10123	0.8
147.04379	1.2
151.03856	1.2
159.04463	1.7
161.02293	2.2
161.05988	1.6
163.07504	1.7
165.01817	1.0
167.07167	1.0
171.04523	1.2
175.03917	1.7
177.01900	3.1
177.05519	0.9
179.03378	4.4
189.01770	6.0
195.02872	12.9
197.04556	1.1
199.03899	1.4
201.01794	1.4
203.03430	10.7
205.08435	1.1
207.02896	10.5
215.03435	1.5
217.04997	5.0
221.04396	4.3
225.03923	1.7
227.03342	2.4
243.02832	2.1
245.04495	1.2
255.02995	6.5
261.03885	1.2
273.04099	1.9
283.05978	2.9
284.06741	4.0
295.06082	5.6
295.09576	1.4
298.04709	1.0
299.05484	5.9
310.04584	4.5
311.05472	100.0
312.06073	5.7
313.07037	5.2
323.05490	16.9
324.06158	2.1
325.03412	1.7
325.07043	4.5
327.05038	1.9
333.07431	1.5
336.06500	1.1
337.07056	25.3
338.07559	1.2
339.04831	5.3
341.06546	52.7
345.05963	4.4
349.07019	2.5
351.04791	1.3
351.08667	17.6
357.06042	41.6
358.06445	2.0
361.07065	3.2
363.04761	1.5
365.06528	16.5
366.07059	1.2
366.22672	2.2
369.06021	36.6
370.06509	1.8
375.08759	1.4
377.06534	19.2
379.08102	6.1
383.07883	2.0
387.07104	31.1
389.06390	8.7
390.06851	1.3
393.06030	3.2
395.07605	2.4
397.09515	1.4
407.07550	12.6
411.07086	40.4
412.07407	1.8
423.06998	6.0
425.08716	2.8
435.07153	10.5
436.07089	1.1
441.08130	20.9
452.97055	0.9
453.08145	22.2
454.08569	1.2
471.09216	24.1
489.10449	13.8
507.12158	3.7
507.18625	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.0728
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56957	1.4
55.59601	1.6
63.15004	1.5
68.19031	1.6
69.54510	14.8
70.06589	1.9
78.95630	75.7
94.93004	3.5
96.95749	2.2
105.47684	1.7
116.07063	5.6
120.96631	20.6
138.96596	9.2
156.97519	8.4
164.93460	2.5
164.95612	63.6
177.00832	1.8
180.97540	6.6
185.04225	10.0
198.98534	3.6
203.05232	25.5
210.98685	1.8
222.20537	1.4
224.96466	45.2
236.96468	2.8
238.31453	1.9
240.99815	3.4
242.97543	29.6
254.97484	7.7
265.99164	2.2
284.98608	18.4
326.99878	3.6
365.10519	100.0
366.10773	3.6
381.07895	36.5
507.09616	2.6
507.19034	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	506.3262
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	5.4
53.93951	2.5
55.01875	4.7
55.05494	12.9
57.03438	2.9
57.07080	4.6
61.82226	2.4
65.03934	5.2
67.05499	26.5
68.05017	13.2
69.03430	7.6
69.07067	18.6
69.69594	4.7
69.70000	16.8
70.06585	100.0
71.04958	3.6
72.08147	8.0
79.05481	32.9
80.05003	6.4
81.03413	3.3
81.07048	35.6
82.06573	9.1
83.04962	11.8
83.08617	10.1
84.08129	13.1
85.02892	4.2
85.06549	7.2
86.09703	4.7
89.06020	3.9
91.05478	47.1
92.06274	3.7
93.07041	43.5
94.06575	6.1
95.04963	21.1
95.08585	23.4
96.08112	17.4
97.06531	5.6
98.06046	7.3
100.07610	46.5
103.05471	4.4
105.07019	93.7
106.06564	9.9
107.04911	3.2
107.08587	38.0
108.08145	12.7
109.06502	6.6
109.10154	14.1
110.09716	3.3
114.05510	25.5
115.05453	5.7
116.06359	3.1
116.07092	15.9
117.07004	19.4
118.06545	3.6
119.04942	3.4
119.08562	46.3
120.08104	21.3
121.06523	11.8
121.10136	30.6
122.09628	4.9
122.74029	2.8
125.09625	5.8
126.09157	2.4
128.06206	13.0
128.07063	75.7
129.06999	24.7
129.10274	2.6
130.07788	6.4
131.08568	32.8
132.08099	4.6
133.06458	3.6
133.09198	2.7
133.10114	20.3
134.09618	15.8
135.08037	5.4
135.10555	2.5
135.11690	5.1
136.07562	7.3
136.11221	8.7
137.09581	2.7
141.06966	13.2
142.07764	23.5
142.08682	7.3
143.08551	46.7
144.08189	2.5
144.09335	8.6
145.10104	56.5
146.05975	3.4
146.09561	4.9
147.08055	7.2
147.10568	3.3
147.11694	11.3
148.11201	21.8
149.09596	18.1
152.07147	3.7
153.06985	4.6
154.07588	2.7
154.08640	41.1
155.08563	14.6
156.09314	17.7
157.10117	49.0
158.09688	5.3
158.10927	5.3
159.08047	11.3
159.11679	19.0
160.11180	23.5
161.09697	5.0
161.13283	4.0
162.12767	10.0
163.11179	3.9
164.07060	4.4
165.07059	6.2
166.07736	4.2
167.08572	11.0
167.10692	5.9
168.09128	4.2
168.10269	8.1
169.10124	30.2
170.10883	4.7
171.11670	23.4
172.11240	8.1
173.11861	3.5
173.13254	9.5
174.12791	11.7
175.11191	4.5
175.14720	3.7
178.08650	7.9
179.08578	10.6
180.09238	3.8
181.10036	17.6
182.10872	7.3
183.11679	27.9
184.11240	3.9
185.09775	2.9
185.13222	8.6
187.14835	4.6
189.12776	5.8
191.08517	2.6
192.09404	8.2
193.10109	18.0
194.11853	34.3
195.11732	23.3
196.12796	3.1
196.13132	3.2
197.13295	22.3
199.11166	4.9
199.14841	5.3
199.39996	2.4
205.10086	6.5
206.10759	4.6
207.11678	22.6
208.12444	5.8
209.13254	21.2
211.14827	12.1
212.14285	4.1
216.10133	4.0
218.11757	5.2
219.11803	8.1
220.13191	10.8
221.13260	18.3
223.14832	11.6
224.14311	3.1
225.12714	3.9
225.16432	4.3
226.15903	4.9
230.10980	3.2
231.11697	3.5
232.12926	4.0
233.13252	13.6
233.15387	43.7
234.13980	6.2
235.14827	10.5
237.16415	5.5
242.10938	2.8
243.11716	5.1
245.13171	8.0
247.14880	11.3
248.15587	5.3
249.16325	7.9
251.17995	3.3
257.13373	4.3
258.14551	5.6
259.14822	9.0
260.15680	5.2
261.16534	5.3
263.17889	12.9
263.29715	2.8
265.19461	4.1
269.19138	5.8
271.15277	3.4
272.16376	8.6
273.16483	9.4
275.18002	5.3
277.19254	3.8
281.18924	6.8
283.20508	4.6
284.16077	5.1
287.17786	5.8
289.19382	3.6
295.20609	4.8
299.17758	3.5
301.19305	4.2
307.20593	5.1
317.19064	3.3
347.23672	5.6
352.26242	6.0
355.24399	3.2
357.25668	5.0
365.23264	3.1
373.25229	5.5
375.27017	6.4
384.54825	2.8
396.25424	17.8
414.26343	14.1
426.31491	6.9
444.32471	11.7
460.32312	4.0
470.30542	9.0
488.31616	76.9
489.31824	4.1
506.32639	45.4
507.32666	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	506.3263
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60342	1.7
53.03941	3.2
55.05496	7.9
57.07080	8.9
59.04991	4.0
67.05496	17.0
68.05025	9.4
69.03415	9.6
69.07048	4.2
70.06220	2.6
70.06585	48.5
71.73631	2.3
72.08157	2.5
79.05486	20.9
80.05023	3.6
80.26754	1.7
81.03384	3.4
81.07049	27.4
82.06579	5.0
83.04961	3.4
84.08137	17.8
85.06524	3.3
91.05466	27.2
93.07034	37.3
94.06565	3.2
95.05000	8.7
95.08603	19.0
96.08118	20.9
97.06522	3.4
100.07602	32.1
103.05479	3.3
105.07018	76.1
105.07725	4.0
106.06536	4.6
107.08590	20.0
108.08101	13.5
109.06510	5.7
109.10163	9.3
110.09673	8.7
111.08105	3.1
114.05501	13.0
115.05408	3.1
116.07064	4.0
117.07008	13.1
119.08574	38.3
120.08116	14.5
121.06490	6.7
121.10127	14.6
122.03400	1.8
122.09653	3.5
123.08059	14.8
124.11335	1.9
125.05952	3.0
126.09151	2.2
128.06212	6.5
128.07062	41.7
129.06985	14.2
130.07768	4.0
131.08562	19.4
132.08063	3.4
133.06467	2.2
133.10118	17.1
134.09581	10.7
135.08058	16.4
135.11673	4.1
136.11194	7.7
137.09612	17.6
141.06978	6.0
142.07751	21.9
142.08710	2.4
143.08554	26.1
144.09212	4.3
145.10101	24.9
146.09642	4.4
147.08028	25.9
147.10522	3.2
147.11697	6.4
148.11189	20.0
149.09579	2.9
151.07510	8.9
154.07466	2.4
154.08626	46.9
155.08530	13.2
156.09323	9.1
157.10110	38.0
158.09572	1.9
159.07944	2.2
159.11673	13.9
160.11169	9.2
161.09621	7.5
161.11943	3.0
161.13249	4.8
162.12779	9.0
163.11214	10.5
164.07059	2.5
165.09100	62.9
167.08578	4.1
168.09215	2.2
169.10089	11.7
170.09618	2.6
170.10941	7.7
171.11652	14.7
172.11208	5.9
173.09552	3.4
173.13257	3.3
174.12762	10.0
175.11151	3.1
175.14853	2.2
178.08627	8.1
181.10059	3.8
181.12254	7.3
182.10928	3.2
183.11642	16.7
184.11215	2.5
185.11807	2.1
185.13283	22.4
186.12714	4.4
187.11209	2.3
187.14732	2.1
188.14308	4.1
189.12802	4.8
192.10136	3.4
193.10307	1.7
194.11760	32.5
195.11678	3.3
196.12492	2.5
197.09772	1.9
197.13264	5.7
199.14807	2.9
200.14381	3.0
203.14296	22.6
206.11812	3.1
207.11841	2.8
207.13737	6.5
209.13324	4.4
211.14816	8.0
212.14189	2.2
213.16510	3.9
216.10234	2.4
218.11673	5.0
220.13310	15.7
221.15344	100.0
223.14740	2.2
226.15981	3.8
228.17488	11.6
230.11763	2.6
232.13350	7.4
234.14867	6.0
247.17078	3.0
252.17351	2.0
254.19005	16.3
272.16415	11.6
281.18988	2.0
282.22180	3.3
287.20050	15.7
298.18085	12.9
299.20062	7.5
320.18665	2.4
326.21069	9.2
333.17383	5.7
351.18478	10.4
365.24628	9.3
370.27429	2.4
382.27502	2.6
391.26315	3.3
393.27814	9.9
406.27582	2.5
414.26526	2.8
426.26419	10.1
444.32846	4.2
462.33643	35.4
488.31244	3.9
506.32593	84.0
507.32986	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	506.3263
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	5.3
55.05499	12.7
57.07067	6.4
59.04981	3.6
65.03908	3.0
67.05493	29.4
68.05015	10.5
69.03409	7.2
69.07053	6.4
70.06216	4.9
70.06587	100.0
70.53227	9.5
70.75047	2.4
71.04959	5.3
79.05477	27.6
79.17288	2.2
80.05006	4.8
81.07050	38.3
82.06560	7.8
83.04976	8.5
83.08613	7.1
84.08138	16.9
85.06525	5.7
91.05467	32.8
93.07040	42.3
94.06582	3.7
95.04954	10.7
95.08597	23.3
96.08132	16.6
96.83270	2.8
97.06532	9.2
97.10092	2.3
98.06059	7.3
98.63028	2.2
100.07607	37.1
103.05459	4.4
105.07021	95.4
106.06535	4.9
107.08585	32.8
108.08100	8.3
109.06497	11.2
109.10140	17.4
111.08064	4.9
114.05523	15.6
115.05461	4.3
116.07063	7.5
117.07030	13.5
119.08568	47.5
120.08119	14.5
121.06504	3.1
121.10131	24.2
122.09621	4.3
123.08047	9.3
123.11749	6.1
125.05971	4.0
125.09589	3.3
128.06221	9.1
128.07062	81.8
129.07004	14.4
130.07759	7.3
131.08560	25.4
132.08105	3.5
133.09106	3.9
133.10091	26.0
134.09639	9.6
135.04425	2.9
135.08078	6.0
135.11667	7.9
136.11215	7.0
137.09592	8.3
141.06990	7.8
142.07745	21.8
143.08540	44.9
144.09331	5.3
145.10095	46.6
146.09607	5.1
147.08023	6.9
147.11671	10.5
148.11148	17.9
149.09616	4.9
151.07507	3.1
153.07104	3.0
154.08679	26.2
155.08543	15.9
156.09328	10.6
157.10120	50.0
158.10870	4.3
159.08060	3.7
159.11644	18.5
160.11183	28.1
161.09560	6.0
161.13258	6.6
162.12766	6.2
163.03908	8.4
163.11136	9.4
164.04269	4.0
165.06976	5.1
165.09081	18.4
167.08521	7.8
168.10188	8.7
169.10126	24.2
170.09517	2.5
170.10881	4.5
171.11667	24.0
172.11165	7.8
173.13223	7.9
174.12849	7.0
175.11073	4.0
175.14795	6.4
178.08641	3.9
179.08537	5.9
181.04912	2.8
181.10121	9.4
181.12213	8.6
182.10913	5.2
183.11659	24.0
184.11195	5.1
185.13240	14.9
186.12785	4.7
187.14874	4.3
192.10231	3.7
193.10149	9.1
194.11816	45.0
195.11678	10.2
195.91080	2.8
197.13229	9.1
197.29898	2.6
198.12746	3.0
199.14806	5.5
203.14301	5.4
206.11356	2.9
207.11685	11.1
207.13637	2.9
208.12689	3.0
209.13220	10.2
211.14772	9.3
212.14284	3.5
213.16365	3.2
218.11726	5.5
220.13396	14.8
221.13365	4.6
221.15327	29.9
223.14774	6.4
225.16339	2.9
226.15935	6.3
228.17262	4.9
232.13255	3.2
233.13358	3.5
235.14853	4.0
237.16354	6.7
238.16031	4.3
246.29054	2.9
247.14810	4.6
254.19003	9.6
258.14908	4.5
272.16400	7.8
284.16455	2.9
287.20181	3.8
298.17975	6.0
365.24561	4.4
370.27374	7.2
414.26318	22.0
444.32620	5.6
462.27591	4.0
462.33673	44.6
506.32639	48.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.3262
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	8.8
55.01855	2.4
55.05499	19.6
57.07066	4.1
60.74231	2.3
65.03925	6.1
67.05500	22.9
68.05019	18.5
69.03411	11.8
69.07069	16.4
70.06582	86.8
70.26971	13.7
72.08144	2.6
77.48998	2.5
79.05485	32.6
80.05010	8.7
81.07046	36.8
82.06564	8.8
83.04970	15.1
83.08611	10.2
84.08146	7.1
85.02843	2.7
85.06524	6.8
91.05466	42.0
93.07032	40.8
94.06548	5.2
95.04945	18.0
95.08601	19.9
96.08097	17.5
97.06537	4.5
97.10153	3.1
100.07610	55.7
103.05459	4.2
105.07017	88.4
106.06542	7.1
107.04937	4.1
107.08579	39.2
108.08112	11.7
109.06517	12.0
109.10159	14.5
114.05517	25.0
115.05434	5.4
116.06264	4.4
116.07054	20.2
117.06995	18.1
119.08566	53.8
120.08128	18.1
120.08916	3.9
121.06499	14.2
121.10146	30.2
122.09637	5.3
123.08041	3.8
123.11707	4.7
125.09591	6.5
126.09116	3.0
128.06207	13.2
128.07056	81.1
129.06975	27.3
130.07779	10.3
131.08543	42.1
132.08051	4.8
133.06456	5.6
133.10118	29.3
134.09627	13.3
135.08081	9.3
135.11691	5.6
136.11212	11.4
137.05952	2.5
137.09627	4.3
141.07011	9.5
142.07729	24.1
142.08617	4.4
143.08548	50.3
143.09630	3.4
144.09348	10.8
145.06502	4.8
145.10110	47.8
146.09615	4.5
147.08038	4.6
147.10519	5.3
147.11679	11.8
148.11174	26.6
149.09622	21.8
153.06935	4.9
154.07692	4.1
154.08662	36.5
155.08551	16.9
156.09334	17.7
157.10101	56.8
158.09634	3.6
158.10866	6.1
159.08043	23.2
159.11719	15.6
160.11241	15.6
161.09654	4.3
161.13197	2.5
162.12733	7.1
164.07182	4.8
165.07021	5.9
166.07643	3.0
167.08572	11.5
167.10632	13.2
168.09216	5.9
168.10399	3.9
169.08810	5.1
169.10104	36.4
170.10876	5.7
171.11676	24.5
172.11243	7.3
173.09666	3.5
173.13287	8.3
174.12708	13.6
175.11171	3.7
178.08618	10.0
179.08507	12.3
180.09297	6.0
181.10005	13.8
182.10910	7.9
183.08067	4.1
183.11676	32.0
185.09636	6.0
185.13239	8.4
186.12718	5.3
187.11270	3.4
189.12732	7.1
191.14308	4.8
192.09241	5.1
193.10078	20.0
194.11847	31.4
195.11684	21.8
196.12453	3.6
197.13277	18.0
198.12752	3.3
199.11212	4.1
199.14851	6.0
204.10109	2.4
205.10176	5.5
206.11046	8.6
207.11610	13.5
208.12451	6.4
209.13264	22.7
211.14874	5.9
214.15904	3.5
215.14326	4.4
218.11612	8.6
219.12187	4.1
220.13199	8.7
221.13298	15.0
222.13976	3.6
223.14835	12.0
225.12770	3.1
225.16383	4.9
226.15907	6.3
229.10249	2.7
231.11736	4.9
233.13257	12.8
233.15341	56.0
235.14806	15.6
237.16483	4.3
239.18019	3.5
243.11914	4.6
244.13339	4.2
245.13269	4.3
247.14862	9.0
248.15648	6.0
249.16382	4.6
251.17984	3.7
255.17557	3.3
256.13376	3.5
258.14706	3.9
259.15036	8.2
260.15872	3.4
261.16379	6.6
263.18005	9.6
265.19482	7.1
270.14603	3.5
271.15494	4.9
272.16321	6.3
273.16428	8.0
281.18881	3.7
283.20587	6.6
284.16409	8.0
287.17862	4.0
307.20554	4.9
330.20605	4.9
347.23856	4.5
352.26273	8.0
356.22339	2.8
373.25143	6.3
375.27011	4.7
378.24075	3.7
391.26910	3.1
396.25281	28.4
414.26346	34.9
415.21347	3.5
448.28488	4.4
458.60104	3.1
460.32321	3.1
462.33643	3.3
470.30548	12.9
488.31622	86.8
506.32629	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.3262
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	4.9
55.01863	3.1
55.05497	10.6
56.96512	3.0
57.03423	2.9
57.07060	8.6
59.04982	2.7
63.91913	2.3
65.80189	3.1
67.05226	2.0
67.05504	20.2
68.05018	8.9
69.03413	8.3
69.07057	7.9
70.06580	45.5
71.14880	6.3
72.08151	4.0
75.57990	2.2
79.05482	25.9
80.05009	4.1
81.07050	35.3
82.06573	5.8
83.04970	5.5
83.08604	3.5
84.08131	22.2
85.06528	6.3
85.10176	3.0
91.05471	31.2
92.59563	2.4
93.07041	41.2
94.06528	4.8
94.55894	2.2
95.04971	10.1
95.08596	22.8
96.08109	22.5
97.06551	3.0
97.97902	2.4
100.07611	25.7
105.04508	2.5
105.07020	74.4
106.06552	5.5
106.07241	2.6
107.07372	2.4
107.08590	19.6
108.08091	9.4
108.08833	2.8
109.06512	7.6
109.10135	7.8
110.09708	5.8
113.09652	3.0
114.05510	9.7
116.07124	3.3
117.07022	14.0
119.08567	40.8
120.08111	12.4
121.06503	7.5
121.10126	17.8
122.09676	5.7
123.08057	14.9
125.05981	4.1
128.06221	7.1
128.07063	49.9
129.06982	13.4
129.95956	2.5
130.07788	5.1
131.08557	20.9
132.08162	3.8
133.09081	3.9
133.10118	16.6
134.09656	10.2
135.08044	14.1
135.11665	5.3
136.11201	10.4
137.06039	2.9
137.09599	17.1
141.07019	3.3
142.07747	17.1
142.08690	2.6
143.08559	29.4
144.09334	4.2
145.10104	28.3
146.09541	5.6
147.08032	29.4
147.11688	6.5
148.11197	24.8
149.09563	3.2
150.12762	2.5
151.07547	6.0
154.08641	45.7
154.93004	2.5
155.08578	11.0
156.09361	10.1
157.10127	37.1
158.09625	2.9
158.10927	2.6
159.08051	4.9
159.11633	16.5
160.11224	10.0
161.09587	8.0
161.13266	6.6
162.12816	13.1
163.11197	9.6
165.07021	3.4
165.09097	60.3
167.08548	3.1
168.09273	3.3
169.10152	10.8
170.10872	7.2
171.11716	15.8
172.11206	5.9
173.13264	5.8
174.12750	11.8
175.14871	3.4
178.08702	11.6
181.10065	4.9
181.12273	10.4
183.11713	13.3
185.13226	24.5
186.12694	4.9
187.11195	4.0
188.14311	6.3
189.12756	5.2
194.11783	33.4
195.11734	5.3
197.13351	3.1
198.12732	3.5
199.11275	4.1
203.14299	23.7
206.11801	3.0
207.11673	3.9
207.13718	4.7
209.13252	4.3
211.14865	8.8
212.14571	2.7
213.16441	3.6
216.10135	4.6
218.11652	6.0
220.10710	2.7
220.13278	14.5
221.15337	100.0
228.17464	11.5
232.13365	5.6
234.14703	5.3
247.16927	2.7
254.18996	16.8
272.16434	10.1
278.22055	3.4
282.22046	4.3
284.16312	2.5
287.20135	13.3
298.18088	14.4
299.20157	8.7
326.21176	8.1
365.24762	12.4
370.27612	5.1
391.25879	4.9
393.27859	6.7
399.21985	4.7
406.27609	3.5
414.26245	5.0
417.22617	11.7
426.26352	9.4
435.23654	7.3
444.32632	4.9
462.33765	39.2
506.21121	3.8
506.32602	90.9
507.19257	3.4
507.32718	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	506.2804
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05017	0.8
57.03431	1.0
61.02907	0.8
61.73421	0.7
62.36173	0.6
65.61079	0.6
67.05470	0.9
69.03415	2.1
69.32193	0.8
69.52093	0.7
70.06582	7.5
70.37116	0.7
71.14700	1.8
72.08158	0.9
72.69783	0.7
73.06517	1.0
79.05493	1.2
81.03418	1.4
82.06527	0.7
84.04494	1.1
84.08157	1.5
85.02901	6.1
86.09676	1.0
87.04454	2.9
87.69832	0.6
89.06022	100.0
91.05470	1.2
95.06091	0.9
97.02869	1.9
98.97598	1.0
105.07030	1.2
107.07072	3.3
107.08565	0.7
107.58514	0.6
108.85871	0.6
109.10182	1.2
110.07114	0.8
116.07069	6.8
116.98621	0.9
119.05009	0.7
125.02345	2.5
127.03868	1.0
129.17137	0.7
130.08644	1.5
131.07158	0.7
133.08592	59.5
135.08075	1.3
137.02362	0.8
137.06018	1.1
137.09602	1.0
137.55540	0.7
141.05473	0.8
145.02866	1.4
145.05008	0.8
147.04437	0.6
163.07565	1.0
166.31172	0.7
167.07037	0.7
177.05484	1.6
177.11206	20.9
193.08615	1.5
194.13283	0.7
195.12343	1.1
202.46512	0.6
211.09642	0.8
221.13702	3.7
229.10661	4.1
239.14954	3.8
283.17480	3.7
327.20114	65.5
328.20416	1.4
357.06363	0.8
387.06845	0.8
489.15247	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.2397
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57061	0.6
55.05508	8.6
56.36265	0.6
57.05799	1.1
67.05477	0.8
69.07055	0.9
70.06588	2.0
70.91357	0.8
70.91694	1.0
72.08150	100.0
73.08492	0.7
79.05467	0.8
81.07049	1.0
82.06572	1.2
83.04973	1.0
84.08153	0.7
85.02900	0.9
86.09693	1.5
91.05467	1.2
93.07040	1.0
94.06554	0.8
95.04993	0.7
95.08633	0.8
96.08102	1.0
97.08900	0.6
98.09673	1.8
107.08604	0.9
111.09190	0.6
116.07050	0.6
117.10273	0.7
118.06550	1.8
119.08623	0.8
120.08112	1.2
127.08707	0.8
130.06520	35.6
131.06949	0.7
132.04440	15.4
132.08067	4.2
137.05968	0.8
142.06525	1.2
143.11836	1.8
144.08061	1.4
145.07599	2.0
146.06003	7.3
152.28915	0.6
154.08687	0.7
157.07607	33.9
158.06015	19.9
158.08168	0.8
159.09157	12.2
166.08650	1.6
166.26601	0.6
170.06030	1.1
173.07161	1.3
174.05557	0.8
175.08664	21.9
185.07097	8.5
188.07053	9.9
203.08185	0.9
205.09767	4.5
225.10306	1.7
229.13448	2.7
239.11787	0.8
256.14389	0.6
257.12833	1.2
258.16034	0.8
267.11386	3.7
267.13934	0.7
274.15485	12.2
284.14102	2.2
285.12305	24.4
302.14987	20.6
302.18320	1.2
303.14954	0.7
341.11505	0.7
357.15634	0.9
389.16074	19.6
407.17056	6.8
470.87546	0.6
471.20361	1.5
488.23422	1.0
501.24249	0.7
506.24283	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	506.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	0.9
54.98822	0.7
56.05024	0.8
57.03422	3.2
62.16969	0.6
67.05454	1.1
69.03414	0.9
69.50993	2.4
69.51419	4.2
70.06583	9.5
71.04982	23.9
71.58219	0.6
72.08141	1.7
73.02896	0.8
74.06073	1.0
75.04445	1.1
79.05425	0.8
81.03403	2.4
81.07053	0.7
83.04943	1.4
84.04493	2.7
84.08125	2.4
85.02895	29.9
86.06067	0.9
86.09701	4.8
89.03894	1.1
91.05463	2.1
95.04921	0.9
97.02880	1.5
99.04445	1.0
103.05450	31.5
103.40318	0.7
104.05305	0.8
104.21169	0.7
109.02869	2.3
109.10121	2.9
110.07140	1.3
111.04337	1.0
112.07590	1.3
112.08733	1.0
116.07088	0.8
117.03353	3.2
119.04924	2.1
120.08087	1.7
127.03897	1.7
129.05450	8.6
129.10211	2.6
131.04910	100.0
132.05223	1.0
133.02815	0.9
136.07530	1.8
137.05902	3.6
137.09581	5.5
145.02809	5.3
146.79510	0.8
147.04457	0.7
147.06491	3.3
149.05992	1.0
151.07571	1.0
163.07521	59.2
164.09172	2.7
165.09091	3.4
177.05466	10.9
182.76450	0.7
195.01031	1.2
201.89830	0.7
352.69769	0.7
371.17444	0.7
380.61429	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.223
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	0.6
51.66056	0.5
53.02127	0.4
53.03934	1.1
53.53912	0.5
56.05014	0.7
57.03416	0.8
66.21125	0.5
69.42508	1.3
69.42911	4.4
70.06577	5.4
71.04978	5.7
72.08133	1.7
84.04498	5.0
84.08125	1.9
85.02898	5.9
86.09694	2.7
89.03902	1.9
91.05461	4.5
92.05788	1.0
95.04949	1.1
98.21428	1.3
101.07090	0.8
102.05557	0.5
103.05452	40.5
105.03374	0.9
105.06991	1.2
107.04959	0.8
109.06483	1.1
110.07141	0.9
116.07074	0.6
117.03361	6.8
118.53877	0.6
119.04923	5.8
120.05280	1.3
120.08096	1.2
129.05463	2.2
130.04988	5.7
131.04907	100.0
132.05241	1.7
133.02858	1.1
133.06531	0.8
134.03578	0.8
135.04311	0.6
137.05960	8.9
138.06267	1.4
145.02834	15.4
145.06407	0.6
147.04411	3.1
147.06516	1.0
147.07607	7.4
148.08005	0.6
149.05986	2.9
151.07506	3.0
152.07823	0.7
157.06461	0.6
161.05934	1.7
162.06578	1.1
163.07521	36.4
164.07875	0.7
164.09192	0.6
175.03941	0.6
175.07535	2.4
176.07916	1.8
177.05446	26.6
179.07034	3.7
180.07350	1.4
199.95979	0.5
201.05342	2.5
205.08543	0.9
250.09236	0.6
325.10580	1.6
490.45502	0.6
511.65714	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	0.6
57.74504	0.5
59.23373	0.5
59.42176	0.5
61.02904	1.8
65.03929	0.7
66.89320	0.5
69.03415	2.3
70.06580	1.3
71.05003	0.8
71.74097	1.0
72.08169	0.7
73.02902	0.9
74.95071	0.5
80.79395	0.5
81.03403	1.7
85.02901	11.3
91.03926	0.7
91.05460	5.5
92.54859	0.6
97.02876	3.9
99.04450	0.6
99.97723	0.5
109.02847	1.8
109.10149	1.5
116.07062	0.6
119.04935	17.5
123.04435	0.9
127.03897	2.0
137.09596	1.6
145.04961	3.6
147.04399	100.0
148.04759	1.3
165.05472	48.3
165.09132	1.3
177.05450	0.6
180.08676	1.4
215.84946	0.5
231.06798	0.5
244.15247	0.6
327.14285	0.8
344.13492	0.8
440.85205	0.6
507.15704	0.7
532.60883	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.2168
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	3.4
55.05504	2.3
56.05029	2.3
58.17402	1.1
58.99580	9.1
59.06119	1.4
59.27840	1.2
61.01144	4.3
67.05502	8.7
69.07059	3.2
70.02943	5.8
70.06589	9.2
71.04971	2.4
71.73214	2.1
72.08150	2.1
74.00654	14.3
76.02221	24.6
76.03996	9.3
79.05488	8.9
80.05022	2.4
81.07063	7.1
82.06568	1.3
83.04978	3.3
83.06094	4.3
83.08600	3.4
84.04494	17.0
84.08140	2.0
85.01101	3.0
85.02915	1.9
85.04022	16.0
86.00655	1.5
86.09702	2.4
86.99019	1.8
87.02643	1.2
87.45061	1.2
88.02204	5.9
91.05454	9.0
92.01698	6.2
93.07030	9.6
94.06574	1.9
95.04975	2.4
95.08595	5.1
96.04498	1.8
96.08096	1.4
97.01117	8.6
97.02893	1.9
97.06519	2.3
97.10162	2.1
99.02683	2.5
99.05588	2.4
100.02196	9.5
102.03756	2.5
102.05526	1.5
105.07021	4.5
107.08582	7.1
109.06519	1.7
109.10144	5.6
111.02658	3.6
112.02196	1.4
112.03938	5.8
113.03477	4.2
114.03732	1.5
114.05460	1.3
116.01676	9.9
116.07067	3.2
119.08578	5.2
121.10139	5.7
125.09622	2.6
129.06581	4.9
130.04996	27.7
131.04504	13.4
131.08549	1.7
133.10135	2.6
135.08032	1.3
135.11668	8.7
137.06021	2.3
142.03204	2.5
144.01111	3.8
145.06059	22.3
145.07108	2.0
145.10127	3.7
149.03847	2.6
151.11078	1.5
153.06555	2.0
153.12711	2.7
155.08266	1.7
160.00641	3.4
161.09599	2.4
162.02176	13.3
163.11163	11.3
166.08585	1.8
167.08694	1.4
177.03281	100.0
179.04865	18.8
179.10657	1.6
181.06128	3.7
181.12222	10.2
185.03804	6.0
189.11247	2.5
195.08400	2.3
198.14888	2.1
199.13260	9.2
203.04927	2.5
210.13100	1.9
213.09421	13.7
231.04344	7.8
231.10490	12.1
233.05865	2.3
238.12567	6.3
239.11037	5.6
254.90741	1.3
256.13589	18.4
256.15659	1.5
274.14667	15.3
277.84851	1.2
284.13190	2.3
288.06497	7.8
302.14191	3.7
306.07559	12.9
312.05801	1.2
314.07367	2.1
341.15323	2.2
342.13727	3.2
359.16330	42.7
377.17523	3.2
380.08728	1.3
385.17850	1.7
413.17505	2.9
431.18301	6.7
488.20239	2.6
493.49051	1.8
506.20679	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	506.1654
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	0.7
60.16637	0.7
62.88559	0.7
62.93816	0.5
65.03941	0.6
69.65253	4.8
70.06578	6.6
71.04955	1.8
72.08134	1.9
79.05468	1.0
81.03404	0.9
84.04482	2.3
84.08138	3.1
85.02875	2.5
86.09699	3.7
86.10113	0.6
87.05595	0.6
89.03899	12.4
91.05461	6.2
93.07024	0.7
95.04972	1.1
103.04823	1.0
103.05457	13.7
105.03394	1.0
105.06986	1.3
105.08131	0.6
109.06527	0.8
110.07154	1.2
117.03363	31.8
117.55497	0.6
119.04932	7.7
120.05248	1.0
120.08076	2.2
122.03602	0.7
124.05173	0.8
129.06921	0.8
130.04962	1.2
131.04909	26.6
132.05254	1.1
133.02864	5.3
134.03616	2.7
135.04404	3.1
137.05957	15.1
138.06299	2.8
145.02831	66.4
147.04393	5.0
147.07663	2.7
149.05954	12.8
150.06789	0.9
151.07541	4.5
160.05171	0.6
161.05893	2.2
162.06671	2.3
163.03880	1.3
163.07535	13.4
164.07899	1.4
165.05536	0.7
173.06018	0.9
175.03922	4.9
175.07503	7.2
176.07877	4.1
177.05450	100.0
178.05829	1.2
179.06992	5.4
186.05490	1.8
187.07253	1.0
192.06487	3.4
201.05424	8.4
213.05301	0.7
231.06445	0.8
265.08630	0.8
266.08289	0.6
266.12689	0.7
277.08627	0.7
290.06403	0.7
293.08240	1.0
305.08109	1.8
325.10794	4.8
326.14545	1.3
337.10590	2.8
341.10138	0.7
355.11749	2.1
381.48297	0.5
420.13525	0.7
493.95139	0.6
506.13657	0.6
506.21173	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	0.4
55.01880	0.4
56.05018	0.6
58.63774	0.4
63.02382	0.7
70.06588	4.0
71.04988	1.1
71.75468	0.6
72.08144	1.2
84.04496	1.4
84.08121	1.2
85.02902	1.6
86.09689	2.1
89.03910	9.7
91.05457	5.0
92.05780	0.6
95.04964	0.7
96.34525	0.4
102.04645	0.4
103.05460	8.0
105.03390	1.1
105.07015	0.6
106.04165	0.5
107.04932	0.5
110.07150	0.4
117.03369	26.9
119.04934	6.2
120.05251	0.5
120.08084	1.0
121.06474	1.1
122.03616	1.1
122.78407	0.4
124.05232	0.6
129.10234	1.3
130.05032	0.9
131.04918	19.8
133.02840	3.6
133.06410	0.6
134.03618	1.6
135.04402	2.2
136.07567	0.8
137.05969	11.1
138.06294	2.2
145.02835	59.1
146.03175	0.9
147.04411	5.4
147.07686	1.7
149.04832	0.9
149.05969	10.5
150.06744	0.9
151.07547	2.7
158.05956	0.6
161.06020	2.1
162.03116	0.6
162.06740	2.3
163.03883	1.1
163.07526	9.3
164.07874	0.6
165.04071	0.5
165.05473	1.0
165.06865	0.4
168.32719	0.4
173.06006	0.8
173.54900	0.4
175.03914	4.0
175.07555	4.8
176.07899	3.1
177.05455	100.0
178.05801	1.6
179.07030	6.2
180.07677	0.7
184.56097	0.3
186.05472	2.2
187.07440	0.4
192.06544	3.0
201.05453	8.1
205.06470	0.6
231.06522	0.5
233.05946	1.0
234.06689	0.8
244.06110	0.7
250.09093	0.4
262.06607	0.7
265.08636	0.6
277.08633	0.6
290.06213	0.7
305.08023	1.9
307.09729	0.6
309.11447	0.5
325.10641	3.8
337.10669	1.5
341.10147	0.4
344.15329	0.5
355.11627	1.7
373.12778	1.0
411.27118	0.4
469.14633	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.352
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21873	1.4
53.03931	2.7
55.01863	2.7
55.05501	14.4
56.81730	1.3
57.03418	7.8
57.07053	2.6
58.38026	1.1
59.04990	4.2
65.03931	3.5
67.05500	100.0
69.07059	8.3
71.04974	3.7
79.05489	21.6
81.07050	33.9
83.04961	1.9
83.08620	10.3
85.06531	3.8
91.05467	35.2
93.07039	30.2
95.04948	3.8
95.08591	21.3
97.06506	3.3
97.10139	3.6
97.25677	1.5
99.08096	2.1
105.07019	30.6
107.08585	18.7
109.06506	2.5
109.10148	70.1
111.08049	3.5
117.07017	7.9
119.08560	29.9
120.00201	1.7
121.10117	10.4
125.09599	3.3
129.06996	5.8
131.08569	11.9
133.10118	25.0
135.08046	1.3
135.11685	10.4
137.09602	3.5
138.06847	1.3
143.08507	4.4
145.10103	10.7
146.89058	1.4
147.11673	23.1
149.13245	6.3
155.10628	4.5
157.10117	5.1
159.11682	10.5
161.13269	19.6
171.11694	8.8
173.11720	23.4
173.13254	8.5
175.14780	9.7
185.13210	6.9
187.14830	2.8
189.11217	3.2
189.12746	1.8
189.16408	2.2
199.14848	3.1
227.12759	6.1
229.14331	47.1
231.21078	4.4
241.19507	20.5
243.21014	1.7
253.89227	1.4
259.20551	44.3
261.21951	3.4
275.20044	1.6
277.21579	1.7
301.50937	1.7
315.23404	2.9
333.24191	25.6
351.25320	1.8
395.29584	1.9
406.73727	1.3
412.27063	1.4
487.34363	8.1
505.35379	9.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3517
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26356	3.0
53.03936	7.4
55.01862	8.4
55.05508	45.2
57.03432	7.0
57.07075	3.9
59.15786	3.2
65.03952	3.6
67.05498	84.9
69.03424	6.6
69.07064	44.2
70.72523	3.1
71.04981	8.6
71.73106	4.6
79.05485	72.7
81.03427	9.2
81.07046	100.0
83.04981	10.0
83.08619	24.5
85.06538	9.1
91.05466	67.9
93.07042	85.5
93.68365	3.6
95.04966	15.9
95.08598	66.6
97.06532	19.7
97.10176	11.1
98.98444	4.1
99.08071	9.0
103.58798	3.8
105.07017	69.4
107.04949	10.5
107.08582	54.0
109.06507	11.4
109.10133	30.9
111.04456	4.4
111.08062	6.7
117.07010	25.2
119.08570	54.8
121.06491	7.6
121.10140	35.1
123.08066	13.8
123.11696	13.3
125.09641	10.1
128.06209	4.0
129.07018	20.3
131.08548	40.7
133.06503	4.6
133.10118	52.2
135.08029	12.2
135.11685	16.7
137.09599	10.3
137.77631	3.5
141.06972	6.5
143.08530	16.9
145.06503	3.9
145.10092	38.5
147.08054	6.8
147.11674	30.3
149.09647	9.2
149.13234	8.0
151.11159	6.5
153.41754	3.2
155.08546	13.3
157.10110	18.9
159.11665	26.3
161.09578	7.3
161.13271	11.1
163.11156	4.6
165.09084	3.5
165.12744	12.5
167.08521	4.7
169.10062	16.4
171.11671	15.5
173.11899	5.1
173.13290	13.5
175.14801	3.7
177.12769	4.1
179.14345	5.8
181.10121	5.2
183.11716	13.6
185.13213	12.0
189.11229	6.8
195.13802	9.6
197.13213	10.6
199.14763	7.1
200.19620	3.6
221.13327	4.7
233.15387	5.2
235.16998	11.6
239.17982	3.3
257.19016	6.5
263.16287	4.8
275.20035	73.8
277.21667	11.9
293.21017	10.9
301.21960	5.2
339.23178	5.1
351.25266	5.4
415.29550	6.3
423.32211	5.0
433.30783	15.9
451.31882	25.5
459.35248	6.3
469.33017	45.2
487.34082	33.1
505.35455	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	505.3521
Annotation	Clethric acid
Peak:m/z	Relative Intensity
53.03936	6.1
55.01865	9.5
55.05502	35.9
57.03412	8.7
63.94696	4.3
65.03936	5.7
67.05496	80.2
69.07068	32.2
71.04961	9.7
79.05485	63.4
80.26286	4.7
81.03409	8.9
81.07048	100.0
83.04964	8.8
83.08607	21.9
85.06516	5.6
90.85831	4.7
91.05461	72.9
93.07039	72.0
95.04948	19.4
95.08603	69.9
97.06516	17.1
97.10151	9.6
105.07031	56.8
107.04939	13.3
107.08584	42.4
109.06518	13.2
109.10161	39.4
109.52771	5.0
111.04455	5.1
111.08073	9.6
117.07014	35.0
118.99487	4.5
119.08560	61.7
121.06512	5.3
121.10136	34.9
121.53090	4.4
123.08092	11.2
123.11693	11.9
125.09600	9.7
126.32578	4.3
127.07581	4.5
128.06213	8.3
129.06964	23.2
131.08565	41.7
133.06477	6.2
133.10146	38.4
135.08018	8.6
135.11665	20.3
137.09619	10.8
141.06932	11.8
141.33154	5.2
143.08566	28.8
145.06465	4.7
145.10106	34.6
147.04424	5.0
147.07936	5.8
147.11661	24.0
149.09647	9.3
149.13211	13.4
155.08522	12.3
157.10109	29.3
159.11685	26.9
161.09506	6.0
165.12697	8.1
169.10127	20.1
171.11659	21.7
173.09706	5.3
173.13245	12.9
181.10088	12.7
183.11639	16.9
185.13234	13.5
195.13811	5.5
197.13232	15.4
199.11121	4.9
199.14760	6.3
209.13199	8.6
211.14890	6.0
233.15332	4.9
235.16904	10.1
239.17986	6.4
263.16306	10.2
263.20117	11.1
275.20081	44.9
277.21808	8.7
293.21082	7.9
299.19815	4.6
301.21732	10.3
355.03442	4.5
368.73416	4.7
415.28708	7.6
423.32764	5.0
433.30838	30.2
443.31448	6.5
451.31900	35.0
459.34589	8.6
469.33023	84.8
487.34256	52.6
505.34985	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	505.3369
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19632	3.7
55.01862	5.1
55.05504	26.5
57.03423	7.5
57.07068	6.0
59.04963	4.1
61.15586	4.3
63.82489	5.0
67.05505	34.8
69.03419	8.9
69.07066	33.1
70.06573	9.1
70.20490	23.7
71.04986	5.8
72.08142	9.0
79.05482	17.9
81.03420	13.7
81.07052	100.0
83.08607	16.2
85.02878	4.5
86.09698	10.2
91.05468	11.5
92.99108	4.1
93.07046	36.3
95.04958	9.3
95.08598	94.2
97.06522	6.8
97.10143	12.3
99.04440	5.9
105.07014	19.0
107.08567	41.8
109.02878	10.0
109.06470	6.0
109.10155	59.1
111.08075	6.5
111.11730	5.9
117.06984	3.8
119.08579	19.8
121.06530	4.7
121.10138	34.5
123.08041	10.4
123.11694	24.6
125.09649	14.9
127.03873	6.6
133.10152	8.7
135.08020	7.6
135.11673	15.1
137.06003	15.2
137.09599	6.4
137.13281	10.2
139.11208	8.3
139.45657	4.4
147.11621	7.4
149.09700	5.8
149.13214	22.9
151.14787	15.1
157.10016	5.4
163.14804	8.0
165.09152	23.5
167.07033	10.4
173.13281	5.1
174.01595	4.3
179.14320	7.4
180.18810	4.8
191.17949	10.9
211.65701	4.6
215.17950	9.7
219.17221	4.6
233.19154	6.1
245.15884	9.5
259.24225	5.6
271.23978	10.6
277.25229	16.0
289.25244	30.0
307.26462	8.9
319.18576	5.6
341.11423	4.4
377.56946	4.3
469.31656	7.2
487.23676	7.4
505.25385	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	505.3369
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88073	2.1
53.03927	5.8
54.62125	2.4
55.01858	5.4
55.05510	23.3
57.03439	3.7
57.07053	6.5
59.04973	2.4
61.02916	2.4
67.05497	41.2
67.75494	2.2
69.03405	9.2
69.07064	29.5
69.48055	22.9
70.06574	11.5
71.04975	5.4
71.08625	3.0
72.08150	7.1
79.05493	21.7
81.03413	14.1
81.07048	100.0
82.07323	2.5
83.04947	8.2
83.08605	17.3
84.04478	6.9
84.08118	4.5
85.02908	15.6
85.06526	6.1
86.09705	4.7
91.05452	19.9
93.07031	40.1
95.04945	8.0
95.08596	97.5
95.09206	5.4
96.08938	2.4
97.02868	3.1
97.06530	6.6
97.10165	13.5
99.04450	4.6
99.08056	4.6
105.07018	24.3
107.04973	4.8
107.08582	42.5
109.02843	7.2
109.06489	8.0
109.10139	57.0
111.08068	8.1
111.11684	4.6
113.09611	3.7
114.10305	3.7
116.07039	2.8
117.06986	2.7
119.04936	3.6
119.08567	23.4
120.08084	3.6
121.06528	4.4
121.10131	30.7
123.08041	7.5
123.11688	28.2
125.09612	7.5
127.03921	6.7
129.07024	2.6
130.05019	17.5
131.05037	3.9
131.08521	9.5
132.19751	2.3
133.10103	16.6
135.08026	7.5
135.11676	18.8
136.07616	3.0
137.02357	2.8
137.05963	19.4
137.09557	7.8
137.13225	10.3
139.11134	8.2
143.08548	3.3
145.02812	2.8
145.06476	3.6
145.10086	8.8
147.11685	15.0
149.09592	4.4
149.13240	19.1
151.11134	6.7
151.14813	8.7
153.12726	3.9
155.01042	2.3
157.10094	6.5
159.11658	7.9
161.05949	4.9
161.13219	8.7
163.07507	4.1
163.11168	3.1
163.14851	13.4
165.09103	20.9
165.12791	4.1
167.07010	8.2
169.10059	2.9
171.11774	2.9
173.09612	2.8
173.13272	3.7
175.07516	5.0
175.11066	2.7
175.14717	5.8
177.16373	5.8
179.14307	4.0
181.04913	7.3
181.12180	2.4
189.16420	3.4
191.17915	7.4
193.12244	3.3
193.15858	3.6
199.14795	3.4
205.12115	6.2
207.17474	3.7
215.17944	5.5
233.18904	3.5
243.02899	2.6
253.40820	2.4
259.24060	4.5
267.06598	3.4
268.06940	2.9
269.06754	2.2
271.24146	8.5
276.09512	2.3
277.22122	2.6
277.25211	15.8
283.09686	3.5
285.06653	3.3
289.25272	28.2
296.06381	3.1
297.06711	2.9
307.26318	10.3
315.07843	4.2
325.27808	2.5
351.25363	3.1
386.19922	2.5
401.07550	3.6
469.31274	8.6
487.17725	3.9
487.32159	3.7
505.18359	5.0
505.25058	16.5
505.31427	3.7
506.18631	4.2
513.68616	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	505.2065
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02361	0.8
53.03927	1.0
53.05629	0.9
55.01857	0.8
57.03414	1.0
61.02915	0.9
65.03934	1.0
69.03414	1.6
69.07087	0.9
70.06577	7.4
71.04997	2.3
71.75585	0.8
72.08134	1.6
79.05486	2.1
81.03426	1.7
81.07042	2.0
83.04960	0.9
84.04505	1.9
84.08126	4.2
85.02888	6.3
85.64194	0.8
86.09684	6.3
91.05457	7.4
93.07001	0.9
94.04168	2.2
97.02877	2.2
101.94724	0.9
103.05460	10.3
104.06275	1.4
105.07047	1.5
107.04939	2.0
109.02861	1.5
110.07137	1.5
115.05436	6.1
117.07002	3.7
119.08531	7.3
120.08099	1.9
121.06499	1.3
122.03665	4.6
127.03916	1.3
128.06227	1.7
129.05482	0.8
129.06985	4.1
129.10153	1.3
131.04910	17.0
131.08565	1.0
132.05713	5.8
133.06491	1.5
136.07533	1.0
137.05957	94.8
139.11168	1.3
141.07005	3.2
145.06438	2.4
147.08022	10.8
147.21538	0.8
151.07596	1.6
158.07253	0.9
159.08012	1.4
160.05174	6.1
161.05978	3.8
163.07512	31.6
169.06506	2.6
175.07523	100.0
176.07964	1.3
177.09093	1.2
186.06770	2.7
187.07515	4.9
188.08246	2.4
189.09030	1.8
191.07019	0.8
201.09093	3.7
203.81723	1.0
205.10075	1.4
217.08577	3.4
233.09627	0.9
235.07465	1.1
261.09055	2.2
281.08060	1.2
289.17627	0.9
293.11691	1.4
319.11649	1.0
325.14288	15.6
343.15250	8.5
506.10730	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1855
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	5.4
65.03912	1.3
70.06599	1.6
70.08580	5.7
70.08987	3.2
78.79870	1.4
79.05496	2.5
84.08116	2.0
90.86218	1.5
91.05463	8.1
94.04189	3.1
97.33083	1.7
98.21431	2.1
103.05454	4.7
105.07002	4.0
107.04955	2.9
107.23206	1.7
109.06484	3.1
115.05431	6.3
119.04922	2.6
120.05692	2.4
121.06451	2.1
122.03635	11.1
128.06160	2.3
131.04915	8.8
132.05658	2.6
137.05968	100.0
143.04912	2.0
144.05733	2.2
145.06494	2.5
146.03596	3.0
147.08022	3.1
149.05939	5.8
151.03867	6.3
151.07512	5.3
155.04883	5.4
157.06429	2.1
160.05162	5.5
161.05963	9.9
163.07529	4.2
165.07019	5.0
167.08478	2.5
171.04355	2.0
172.05229	2.4
173.05969	2.9
175.07567	8.1
177.05486	4.9
178.07724	2.7
179.08575	3.4
181.06458	5.2
182.07222	2.5
183.04448	2.1
185.05943	5.0
187.07559	4.5
188.04741	2.4
189.06970	3.9
191.07060	8.9
191.08586	2.4
193.06479	3.5
194.07301	2.2
195.08107	3.5
197.05986	2.5
199.07468	2.3
200.04665	2.6
202.07692	1.8
203.06940	14.3
205.06491	4.1
207.08014	3.5
209.05893	1.8
210.06778	5.2
211.07462	2.2
215.06874	8.6
217.06519	2.3
218.07227	4.5
219.08029	4.2
221.05937	6.6
222.06709	2.9
223.07529	2.0
224.08246	3.9
225.09032	5.4
227.07004	2.4
231.08017	5.6
233.05847	3.0
234.06694	8.7
235.07524	6.1
237.09045	3.5
238.06212	4.9
239.06989	1.6
240.07747	1.8
243.07996	3.5
245.05948	2.1
247.07481	3.0
248.08195	1.6
249.09042	6.9
251.07014	4.9
253.08530	9.0
258.06830	2.1
259.07455	5.9
260.08255	3.3
261.09048	3.3
262.06290	4.3
263.07010	3.3
264.07721	1.9
265.08652	3.6
266.09647	1.8
267.10132	3.8
268.07483	2.1
269.08328	1.6
270.06543	2.3
270.09134	1.8
271.07468	4.4
273.05969	2.0
273.08768	1.8
275.06973	3.4
277.08411	18.3
278.09253	4.3
279.10141	3.5
281.08057	4.0
283.09674	6.1
284.10278	2.9
285.11276	17.9
286.06140	2.7
287.07016	4.1
288.07889	2.1
289.08429	2.2
291.10092	3.7
292.07397	1.8
294.08728	3.7
295.11203	1.6
296.10718	1.8
297.11307	3.0
301.08493	7.9
302.09534	2.5
303.10077	3.7
305.07864	8.3
306.10156	2.1
307.09344	7.0
309.11349	10.9
310.12009	4.5
313.08420	4.6
317.09052	2.0
319.09677	6.2
322.09528	1.7
323.10690	4.8
331.09509	5.3
332.10455	3.3
333.11572	8.1
334.09811	4.9
335.10544	2.0
335.12296	1.6
337.10760	17.8
345.11176	4.6
351.09488	2.2
351.12573	2.6
352.10898	3.3
361.08600	2.7
362.09320	3.1
363.12048	5.2
365.11731	2.4
367.13245	3.4
368.10300	2.3
369.11185	3.2
377.11667	6.4
378.08713	3.1
379.09744	7.2
380.10202	3.7
383.12701	1.7
390.09286	1.9
391.08987	2.2
393.11142	7.2
394.11929	4.7
395.12909	3.5
405.11365	4.3
408.09732	2.7
409.14084	5.8
410.11288	2.8
411.12195	6.3
412.12878	3.7
422.11252	4.1
423.12311	5.1
425.13910	8.6
427.15448	22.6
431.14563	3.0
437.13840	19.9
439.11780	2.7
440.12296	2.0
442.13681	1.8
443.14838	2.8
454.13928	4.1
455.14835	42.8
456.15253	1.7
457.16403	17.2
469.16400	32.2
472.15265	2.3
475.17410	4.3
487.17468	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	505.1864
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30602	0.7
53.03963	1.0
55.01866	24.2
57.03407	1.0
57.44536	0.6
62.10563	0.7
69.03423	2.0
70.06596	1.9
71.00153	2.1
71.37828	0.9
79.05477	2.7
81.03401	2.7
85.02888	5.6
87.00818	1.9
89.03974	0.7
91.05470	10.7
93.07026	0.8
94.04179	2.2
95.04956	2.6
97.02897	3.8
99.04480	0.8
103.05448	12.0
104.10249	0.7
105.07023	2.7
107.04942	2.5
109.02871	2.7
109.06493	1.4
115.05446	7.5
116.06194	1.1
117.07015	3.5
119.04930	2.2
119.08573	1.8
120.05717	1.8
121.06490	2.8
122.03600	5.9
123.04427	2.0
127.03921	5.3
127.32937	0.9
128.06215	1.5
129.06976	2.2
131.04910	34.3
132.05687	3.1
133.02850	1.2
133.06476	1.3
135.04364	1.4
135.08020	1.8
135.82832	0.7
137.05965	55.8
143.04897	3.3
144.05684	3.4
145.02850	1.2
145.04935	4.1
145.06477	5.9
146.03618	1.1
147.04407	3.3
147.07997	7.3
148.05176	1.2
149.05939	4.6
151.03911	4.1
151.07536	3.3
152.06256	1.2
153.06961	2.1
155.04868	6.0
155.05936	0.7
156.05716	0.7
159.04381	1.9
159.08054	1.4
160.05167	10.8
161.05951	9.7
163.07506	4.4
165.07007	2.7
167.07043	1.3
169.06454	1.4
170.03531	2.0
171.04402	4.0
172.05156	13.9
173.05966	7.5
174.06776	1.5
175.03864	2.4
175.07526	15.6
177.05505	4.6
179.06990	0.9
179.08546	1.0
181.06454	2.7
182.07315	1.3
183.04430	3.3
184.05170	0.9
185.05939	24.0
186.06502	0.9
187.03886	1.2
187.07518	4.9
188.04691	9.6
189.05482	1.2
189.07062	1.5
191.07039	5.5
191.08553	1.4
193.06468	2.5
194.07393	1.4
195.08029	2.5
197.06027	1.5
199.07542	1.2
200.04686	3.2
201.05467	1.3
202.07813	1.8
203.07005	100.0
205.06497	2.8
205.08565	0.9
207.08122	2.2
209.06091	1.1
210.06792	2.9
211.07512	2.2
213.03790	1.0
213.09090	1.1
215.06979	17.6
218.07202	1.9
219.08031	2.4
221.05951	4.4
222.06711	1.3
223.07632	1.2
224.08307	2.4
225.09058	2.4
227.07112	1.6
231.04884	4.5
231.07994	1.3
233.06020	1.6
233.08107	3.7
234.06790	3.6
235.07504	4.5
237.09052	2.4
238.06244	2.0
239.06973	1.2
239.10603	1.0
241.08516	1.8
245.05827	0.9
245.09662	0.9
247.07486	3.5
248.08392	1.2
249.05988	6.8
249.09094	3.3
251.06998	3.1
252.07681	1.7
253.08531	4.2
255.06422	1.3
258.06705	1.8
259.07538	1.8
260.08359	1.3
261.09122	1.8
262.06198	1.3
263.07010	2.2
264.07654	1.0
265.08411	3.6
267.06583	1.1
267.10159	3.4
268.07056	1.2
269.07962	2.6
271.07339	1.6
272.10535	1.5
273.08780	0.9
273.11383	1.0
275.06900	1.4
276.07864	1.1
277.08420	6.2
278.09177	1.5
279.06534	3.8
279.10187	2.2
280.06970	2.7
281.07175	3.8
283.09628	7.3
284.10449	2.2
285.08783	1.0
285.11316	7.0
286.06229	2.1
287.07010	1.8
291.10120	2.2
293.09201	0.9
294.08627	1.9
295.09573	3.5
297.07620	2.0
297.11087	1.8
299.08334	1.1
301.08539	5.8
303.10172	1.8
304.07333	1.1
305.08133	1.1
307.09512	5.2
308.10446	2.9
309.11252	4.4
310.11963	3.4
318.08923	1.0
319.09616	2.7
320.10699	1.1
321.11407	1.3
323.10501	1.0
327.12396	1.4
328.13101	2.5
331.09567	0.9
333.11389	6.4
334.09943	1.5
337.10651	2.1
338.09314	0.8
345.11459	1.5
350.09229	1.3
351.12222	1.3
361.08609	1.4
362.09351	1.6
365.11731	2.3
366.12524	1.1
367.09631	1.2
368.10278	1.1
369.11029	1.0
377.11978	1.0
378.08984	1.1
379.09711	1.4
382.11877	1.5
393.11121	2.9
394.12302	1.2
395.12988	1.1
397.14594	1.0
405.11066	1.9
409.14615	1.4
410.11365	1.7
411.11819	2.3
423.12311	0.9
425.13943	5.8
427.15326	3.3
431.15271	1.2
437.13870	6.1
443.14792	1.4
454.14236	1.2
455.14862	3.0
457.16449	22.5
458.17471	1.0
461.15823	1.3
469.16446	20.3
475.17700	3.6
487.17343	6.0
505.19086	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	504.3375
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	2.3
57.03417	2.3
59.04995	24.9
61.02924	1.8
67.05494	2.3
69.03405	1.2
69.07067	0.8
70.06591	6.0
71.04973	1.0
71.48669	1.4
72.08140	2.1
73.06543	1.5
74.06023	0.7
79.05476	1.4
80.05014	1.2
81.07049	2.4
82.06544	0.8
83.05010	0.8
84.04488	2.2
84.08147	1.9
85.01083	0.9
85.02904	3.0
86.00658	1.8
86.09689	3.9
87.04456	6.6
89.06022	100.0
91.03960	1.0
91.05470	2.3
93.07041	1.8
94.06595	1.1
95.08605	2.2
97.02868	0.9
97.06548	0.8
100.02194	1.2
101.05994	0.8
103.07552	3.9
105.07016	2.3
106.06561	1.2
107.07071	3.4
107.08609	1.7
109.06499	0.8
109.10156	2.2
110.07136	0.9
111.02586	0.9
112.02179	7.9
114.03774	1.1
115.18424	0.7
116.01661	1.2
116.07084	2.3
116.61867	0.8
117.09129	2.6
119.08577	2.2
120.08095	1.8
120.08916	0.8
121.10110	1.4
123.08030	0.9
126.03728	1.2
127.03976	0.9
129.10205	0.8
130.08636	1.8
131.07033	1.8
133.08594	62.0
135.08093	1.4
137.02434	0.8
137.06030	2.0
138.03706	1.5
142.03221	1.4
145.10139	1.3
147.10214	1.0
161.11703	1.2
169.04289	1.2
170.93553	0.7
174.06421	0.8
177.11211	21.3
195.12256	0.9
219.53220	0.7
221.13826	3.4
236.11029	7.6
239.14925	2.0
254.12086	8.5
272.13190	2.3
282.11777	1.0
283.17575	3.0
285.70013	0.8
299.05643	1.7
311.05600	1.0
311.14279	2.9
313.07050	0.9
327.20135	3.6
329.06577	1.1
337.06857	0.8
339.13654	1.2
357.14749	26.2
358.15216	1.7
371.22742	21.1
372.22922	0.9
429.26971	5.4
487.21118	0.9
487.31006	1.9
504.20825	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.3573
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	3.2
55.01863	3.8
55.05499	10.0
57.03435	22.4
57.07071	50.5
59.04968	1.5
60.36742	1.4
61.02921	54.7
67.05501	20.2
69.03423	22.7
69.07053	13.3
70.43005	3.6
70.43401	3.1
71.01350	1.8
71.04980	4.5
71.08249	2.6
71.08623	39.6
73.02910	25.2
75.04426	2.2
79.05487	5.8
79.19884	1.4
81.03407	18.2
81.07050	34.3
83.01306	1.6
83.04980	2.5
83.08610	17.2
85.02382	2.7
85.02897	54.5
85.10169	20.2
87.04465	1.8
89.06012	2.9
91.03948	34.1
91.05453	2.7
93.07020	5.2
95.04945	3.4
95.08603	32.1
97.02882	50.2
97.10151	17.0
98.20786	1.8
99.04465	9.8
99.11739	1.6
101.02372	12.1
103.03933	7.0
105.07002	3.1
107.08604	1.6
109.02866	10.8
109.06446	1.6
109.10146	17.8
111.04456	1.8
111.11701	5.8
115.03924	2.9
117.05395	2.0
119.08546	4.0
121.10136	2.7
123.11682	9.3
125.13224	2.3
127.03896	26.1
129.05464	5.6
131.08464	1.8
133.10109	3.2
135.11691	1.6
137.13246	3.5
145.04933	9.1
149.09541	1.6
152.66219	1.3
155.06935	1.7
159.06509	1.9
183.06494	6.1
187.14754	1.7
201.07547	4.9
204.06250	1.5
249.25774	2.9
267.26810	22.0
268.26968	2.0
285.27805	4.9
299.06140	2.2
341.30472	100.0
342.30829	3.1
369.29855	4.0
383.31598	2.4
485.34619	6.7
503.36099	22.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.321
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.5
53.27591	0.5
55.01883	0.7
55.05499	8.0
56.61362	0.5
57.03441	0.7
57.07059	2.3
59.04980	0.7
60.33128	0.6
67.05492	8.3
69.03412	2.2
69.07060	13.2
70.06575	1.7
70.30886	1.1
70.31285	1.9
70.37880	0.6
71.04974	0.9
79.05476	5.3
81.03414	4.2
81.07046	35.5
81.94801	0.6
81.98225	0.6
83.04967	1.6
83.08614	3.4
84.04495	1.4
85.02879	1.8
85.06535	3.5
86.09689	1.1
91.05436	3.4
93.07035	10.1
95.04964	1.2
95.08597	19.0
97.02904	1.1
97.06521	2.0
97.10161	10.1
98.20769	0.7
99.04408	1.0
99.08073	1.4
105.07015	4.9
107.08582	12.8
109.02868	4.9
109.06502	1.6
109.10142	12.0
111.08082	1.7
111.11724	2.6
114.10313	0.8
116.01644	0.7
116.85477	0.7
117.07008	0.9
119.08588	5.1
121.06476	1.5
121.10126	9.6
123.08035	1.3
123.11691	29.3
125.09605	1.7
127.03893	0.9
130.04990	1.1
131.08565	1.3
133.10124	4.0
135.08066	0.9
135.11671	4.3
137.05962	2.4
137.09576	1.0
137.13237	6.5
139.11174	5.4
145.04980	0.7
145.10121	1.7
147.11661	3.2
149.09607	0.9
149.13243	8.5
151.11201	1.0
153.12724	1.0
157.12241	4.1
159.11726	1.9
160.11983	0.7
161.06009	0.8
161.09608	0.8
161.13225	2.4
163.14835	3.3
164.07152	0.6
165.09091	1.6
165.12685	0.7
167.05527	0.6
170.00748	0.8
173.13293	0.8
175.07529	1.7
175.11182	0.6
175.14832	1.1
177.12729	3.8
177.16380	1.5
178.13071	4.0
189.16373	1.5
203.12781	1.9
203.18007	1.9
205.15794	1.2
213.16478	0.8
221.18987	1.5
223.16898	1.0
231.17444	0.7
235.16881	1.2
237.18517	1.1
267.06616	1.9
275.23743	1.0
283.05865	0.7
285.07782	1.3
287.23706	2.5
293.24585	4.4
299.06213	0.7
305.24731	11.2
311.14890	0.7
323.12964	1.0
323.25729	3.0
325.18420	0.7
329.15936	4.8
339.05048	1.0
341.05643	1.7
341.10446	0.8
341.18924	0.7
374.17963	0.7
455.29819	1.4
459.21848	0.9
467.30014	1.3
471.21518	1.5
485.23462	1.1
485.30536	1.2
503.24564	100.0
504.24741	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.3215
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.2
55.01858	3.0
55.05508	22.1
56.96570	2.2
57.03427	2.6
57.07053	8.7
57.96075	1.8
59.04985	2.6
61.02916	3.2
67.05502	22.1
69.03407	7.8
69.07063	38.2
70.06575	5.1
71.02863	5.1
71.04974	3.0
72.08131	4.9
72.89812	1.5
73.02904	2.3
79.05486	16.3
81.03412	10.3
81.07048	100.0
83.04974	4.7
83.08604	7.4
84.04521	2.0
85.02888	5.3
85.06541	10.0
89.06022	3.7
89.41212	1.7
91.05481	7.4
93.07043	27.4
95.04955	5.1
95.08015	3.1
95.08603	50.4
97.06522	7.5
97.10159	30.6
99.04426	3.7
99.08096	3.7
100.11320	1.9
100.91534	1.6
105.07024	14.5
107.08581	39.9
109.02871	12.9
109.06500	4.3
109.10145	32.1
111.08054	6.1
111.11699	7.1
116.07084	5.1
119.08555	12.5
121.02859	1.8
121.06440	1.8
121.10131	22.4
123.08070	3.3
123.11696	87.4
123.47392	1.9
124.11914	2.1
125.05965	1.7
125.09635	2.4
127.03914	2.0
131.08551	2.4
133.10124	9.1
135.03033	1.7
135.08104	2.8
135.11662	10.1
137.05971	8.3
137.09595	5.3
137.13246	20.6
139.11157	18.0
145.06154	1.8
145.10110	2.5
147.11679	8.7
149.09619	2.8
149.13254	25.3
151.11134	2.7
153.12794	2.1
157.10188	2.8
157.12210	15.7
159.11717	2.9
161.05969	2.5
161.13251	5.5
163.03955	2.0
163.14819	6.0
164.07043	2.2
165.09087	15.7
165.12819	3.0
167.07080	4.1
167.10619	2.1
173.13219	2.3
175.07538	2.9
175.14795	5.1
177.16368	2.4
191.14363	1.9
201.05461	2.2
201.16313	1.7
203.12764	6.4
203.17981	5.4
205.12253	3.2
221.18973	3.7
224.60287	1.8
235.16878	1.9
237.18475	3.5
245.19295	1.9
249.18451	3.2
259.11316	1.8
259.24393	2.0
267.06482	7.4
269.22696	1.8
283.05988	6.7
284.06503	2.0
287.23682	5.1
293.24792	12.2
295.06110	15.6
299.06122	2.9
305.24722	30.6
313.07022	7.0
323.12952	2.8
323.25818	6.5
329.16010	12.0
337.07040	1.8
363.08630	5.1
363.37332	1.8
381.09384	4.3
399.06998	3.1
455.29767	3.0
467.30038	4.9
485.31061	4.0
503.17310	8.7
503.25082	38.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2764
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	6.0
57.03423	4.2
57.07061	3.7
67.05487	13.4
68.57988	1.7
69.07060	11.3
70.18928	8.3
71.04977	1.9
71.08633	6.4
75.04455	4.0
79.05482	6.8
81.07046	16.3
83.08611	3.7
85.06540	3.0
91.05453	6.1
93.07030	14.3
95.08602	16.3
97.06536	5.3
97.10195	1.8
98.97800	3.5
98.98457	69.8
105.07053	9.9
107.08569	11.5
109.06509	14.6
109.10133	4.8
116.99519	3.1
119.08545	10.5
121.10138	7.5
123.08057	33.4
125.09662	2.6
130.49274	2.0
131.08575	3.9
133.10118	7.4
135.08044	20.7
135.11693	2.7
137.05983	2.9
137.09636	2.6
145.10107	4.9
147.11676	7.7
149.09520	2.9
149.13237	3.0
157.10146	2.8
159.11731	2.5
161.09517	2.4
167.05530	3.3
173.02092	11.8
175.11195	2.0
175.14847	5.5
177.12730	7.9
179.14290	42.8
191.14307	2.4
193.12248	1.9
193.15993	1.9
205.15891	7.4
233.18936	3.9
247.20645	2.9
263.20151	2.3
275.20178	3.0
289.21521	6.1
293.21350	2.4
299.06256	2.7
303.26917	8.7
331.26291	100.0
332.26556	4.2
349.27463	14.3
357.27780	2.1
375.28842	3.5
387.28748	6.4
405.29965	55.4
406.30334	2.3
423.31024	4.3
485.26526	4.6
503.27628	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	503.2765
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	2.7
55.05496	6.5
64.62077	2.1
65.60680	2.5
67.05501	13.8
69.07050	9.5
69.56551	22.3
71.08638	3.6
79.05478	7.3
81.07060	14.1
83.08602	2.9
91.05404	2.8
91.05851	3.5
93.07028	13.0
95.08595	16.4
98.98460	69.5
99.08082	3.5
105.07013	10.3
107.08611	12.2
109.06496	14.9
109.10120	3.7
116.99499	2.8
119.08524	11.5
121.10143	9.2
122.75520	2.6
123.08053	31.9
133.10103	8.5
135.08049	17.3
135.11679	2.8
137.05919	3.8
145.10165	4.1
147.11650	6.6
149.13260	3.3
161.09622	4.7
165.12720	2.6
167.05524	5.6
167.14281	3.4
173.02112	12.0
175.14821	5.6
177.12688	7.7
179.14301	45.3
191.14354	3.8
193.12173	3.0
193.15865	2.8
205.15814	7.2
216.17215	2.4
263.20026	2.8
268.37720	2.3
274.99374	2.5
275.19986	4.6
289.21603	4.9
293.21024	4.2
299.06076	8.5
303.26825	6.9
331.26285	100.0
349.27457	13.4
369.27850	3.0
375.29269	2.6
387.28876	5.2
405.24759	4.5
405.29950	57.7
423.30850	3.0
473.00293	2.4
485.26611	3.4
503.27640	26.8
503.34174	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1907
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90727	1.9
61.02917	2.5
65.33245	1.9
66.06948	2.0
66.79481	1.7
67.05478	2.2
69.03427	6.8
69.82269	11.8
74.94003	1.7
81.03410	2.6
81.07020	3.6
82.68730	1.8
85.02903	17.4
89.06062	2.0
94.04150	3.1
97.02897	8.2
98.21090	6.7
101.28349	1.8
103.05498	1.7
105.07007	2.4
109.06501	3.4
115.05486	2.9
122.03646	8.0
127.03915	2.4
129.07047	2.2
131.04953	3.8
132.05673	2.0
133.06467	2.5
137.05965	100.0
161.05957	10.3
161.09499	1.9
163.07570	8.6
167.05605	3.3
171.08025	1.9
175.07536	35.7
187.07581	6.5
191.08488	4.1
199.07494	14.4
202.07745	4.1
203.08586	9.1
219.08099	9.2
220.08885	3.1
231.08008	8.9
247.07469	4.2
248.08337	8.0
251.10722	6.8
259.07544	8.3
260.08322	3.8
261.48383	1.9
263.10623	6.0
276.07867	3.5
277.08643	3.0
279.10153	5.9
284.59900	1.9
291.10147	13.2
292.11017	5.3
295.13391	2.5
299.06195	2.8
308.10541	2.1
311.12778	17.5
323.12756	25.7
452.54129	2.3
465.56036	1.9
503.33582	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	503.2461
Annotation	Gln Asn Leu Glu
Peak:m/z	Relative Intensity
50.98075	0.3
53.03934	0.7
55.01868	0.5
55.05502	4.2
57.03429	0.6
57.07063	1.3
59.04981	0.6
61.02905	0.4
67.05492	3.9
68.05023	0.5
69.03426	1.9
69.07059	5.2
69.88115	2.4
70.06594	1.8
71.04979	1.2
71.08614	0.4
72.08124	0.9
79.05481	2.8
81.03428	1.8
81.07050	13.8
83.04961	0.9
83.08604	1.7
84.04511	0.9
84.08157	0.8
85.02899	1.3
85.06512	0.9
85.47911	0.3
86.09698	1.4
89.06022	0.9
90.94805	0.5
91.05457	2.4
93.06168	0.4
93.07042	6.0
95.04958	1.1
95.08600	8.9
95.86807	0.3
97.02905	0.6
97.06517	1.4
97.10150	4.2
99.04460	0.6
99.08079	0.5
105.07013	3.2
107.04936	0.5
107.08582	5.4
109.02869	1.8
109.06490	1.1
109.10143	4.5
111.08077	1.0
111.11647	0.8
113.09698	0.4
114.10250	0.7
116.01622	0.5
116.07109	0.6
117.06984	0.5
119.08574	3.4
121.06481	0.7
121.10139	4.4
123.08033	0.5
123.10789	0.4
123.11684	8.2
125.09587	1.3
127.03855	0.6
130.04984	0.9
131.08559	0.8
133.10121	2.1
135.08075	0.6
135.11707	2.2
137.05927	2.4
137.09613	1.1
137.13239	2.5
139.11176	2.1
143.08508	0.5
143.10690	0.5
145.05023	0.4
145.10091	1.2
147.11688	1.2
149.09554	0.4
149.13228	3.9
150.09091	0.4
151.07513	0.5
151.11159	0.6
153.12764	0.4
157.10146	0.5
157.12263	1.0
159.11687	1.1
160.07520	0.4
161.09636	0.6
161.13269	1.7
163.14824	1.1
165.09117	1.4
165.12854	0.5
167.05562	0.7
167.07040	0.6
171.11612	0.5
173.13239	0.6
175.07498	0.7
175.14853	0.6
177.12729	2.6
177.16309	0.5
178.13127	1.2
181.15907	0.4
185.04266	0.5
185.13197	0.4
187.07573	0.5
187.14957	0.5
189.16556	0.4
201.16464	0.8
203.18022	0.4
205.12282	0.4
214.17921	0.4
221.19167	0.7
223.16870	0.5
229.05388	0.5
237.18623	0.6
249.18391	0.5
259.07620	0.6
259.24152	0.5
267.06628	1.8
279.06558	0.5
283.06036	0.8
285.07825	1.7
287.23639	1.1
293.24728	1.4
295.06088	0.9
299.06061	1.1
305.24744	4.7
308.09619	0.4
313.06992	0.7
323.12750	0.8
323.25775	1.7
329.15756	0.7
340.05328	0.4
341.05762	0.5
341.10327	0.4
341.19324	1.4
363.08630	0.5
459.22180	1.0
467.22198	0.5
467.29315	0.5
470.06653	0.4
471.22232	1.2
485.23099	0.8
485.30374	0.4
503.24588	100.0
504.24893	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1908
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.8
55.01862	2.1
55.86245	1.1
56.05027	1.1
57.03431	2.6
61.02909	4.9
69.03423	13.4
70.06582	16.2
70.14452	3.3
70.14861	2.6
71.04987	1.6
72.08146	6.9
73.02927	2.8
73.04762	1.5
79.05461	2.8
81.03400	3.9
84.04488	4.7
84.08131	8.2
84.48154	1.1
85.02901	31.2
86.09691	15.3
87.04422	1.9
91.05406	2.9
94.04179	3.4
95.04955	1.4
97.02883	12.2
99.04453	2.4
102.05560	2.4
103.05455	46.1
105.07027	7.9
107.04926	1.4
109.02883	2.7
109.06526	1.7
110.07159	6.2
112.00784	1.2
115.05452	3.4
116.07046	2.3
119.08588	3.1
120.08085	2.5
122.03624	7.3
127.03884	6.3
129.06972	2.8
129.10219	4.3
131.04912	78.3
132.05608	1.5
133.06432	6.5
136.07556	2.1
137.05957	100.0
143.04942	1.3
144.06586	2.1
145.04948	4.1
147.04408	2.6
147.08025	4.8
151.03879	1.2
159.08029	3.2
160.05261	2.4
161.05962	23.7
163.07520	93.9
165.06888	1.3
167.05441	2.5
172.05188	2.7
173.09209	1.5
173.54042	1.2
175.07536	35.8
177.05507	1.9
180.95816	1.1
187.07506	18.6
189.09099	2.4
191.08563	6.0
199.07474	7.8
201.09145	2.1
201.12271	1.3
202.07747	3.3
203.08531	6.1
207.08139	1.7
217.06708	1.3
217.08624	4.3
219.08061	8.4
220.08862	1.6
231.08051	7.4
232.08740	1.4
235.07416	1.8
237.09006	1.9
247.07530	4.2
248.08405	3.7
249.09123	1.6
251.10744	8.8
253.54626	1.3
259.07486	4.8
260.08267	2.5
261.09064	1.8
263.10709	4.1
264.07745	1.9
265.08411	2.3
276.07837	2.6
277.08591	2.4
279.10202	7.7
291.10107	14.2
292.11032	2.3
299.06168	3.4
308.10535	2.0
311.12769	21.1
323.12741	23.4
341.14005	6.9
350.70966	1.2
503.19275	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1906
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01848	1.7
57.03426	2.2
61.02919	1.7
69.03422	6.5
70.01070	4.2
70.01478	2.3
70.06581	1.3
71.04985	1.4
79.05470	2.9
81.03418	3.3
81.07024	1.4
85.02899	15.1
91.05443	5.2
94.04187	3.7
97.02882	4.2
98.20750	1.1
103.05454	5.5
105.03437	1.4
105.07000	4.8
107.04955	2.0
109.02889	1.1
109.06509	2.8
115.05417	4.8
117.07012	1.8
119.04932	1.5
119.08585	3.0
121.06511	1.1
122.03632	7.4
122.04379	1.1
127.03943	2.9
128.06218	2.8
129.07011	2.5
131.04886	5.9
132.05681	2.4
133.02859	2.2
133.06476	3.1
137.05966	100.0
138.06342	1.0
141.06999	1.4
143.04898	1.8
145.04936	1.9
145.06505	1.8
147.08020	3.9
149.05977	1.5
151.07520	2.6
156.05661	1.3
158.07272	1.0
159.08015	2.3
160.05188	2.1
161.05977	12.8
161.07201	1.7
163.07492	7.4
167.05675	1.0
167.07028	15.6
167.08348	1.8
169.06590	1.5
173.05956	2.6
175.07530	39.9
177.09032	1.7
179.07074	1.4
186.03140	3.0
187.07471	7.7
189.05470	1.2
190.07758	1.5
191.06995	1.7
191.08580	2.9
199.07513	14.8
201.05452	17.7
201.09117	1.3
202.07689	5.4
203.08539	7.9
205.06485	1.3
219.08018	6.0
220.08769	3.0
231.08128	10.0
232.08897	1.7
235.07669	1.3
237.09142	1.3
247.07600	3.0
248.08321	4.4
249.09131	1.5
251.10706	8.8
253.08350	1.1
259.07547	6.1
260.08356	1.9
261.09158	1.4
263.10703	4.0
264.07770	1.0
265.08487	1.3
275.06839	1.2
276.07770	2.8
277.08633	3.8
279.10205	5.5
291.10104	11.6
292.10922	3.4
295.13321	3.1
308.10382	1.5
311.12717	15.8
312.33804	1.2
323.12747	24.0
325.14374	1.7
465.49078	1.2
503.20560	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	503.1906
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42780	0.8
53.03949	1.1
55.01856	1.1
55.98695	0.7
57.03421	1.5
61.02908	2.6
66.04716	1.4
69.03429	10.3
70.11820	2.7
70.12214	1.5
79.05489	2.4
81.03387	2.8
81.07042	1.1
82.35270	0.8
83.59169	0.9
85.02895	18.1
91.05458	4.1
94.04156	3.4
97.02890	7.6
98.20697	1.0
103.05447	2.7
105.07040	4.4
107.04948	1.2
109.02879	2.1
109.06490	3.0
115.05434	4.2
117.06990	1.6
118.04180	1.1
119.08583	2.1
122.03640	10.4
127.03884	3.5
128.06198	3.3
129.06984	1.3
131.04932	5.0
132.05688	3.4
133.06479	2.7
137.05966	100.0
138.06351	0.9
141.06908	2.0
143.04877	1.2
145.04967	1.5
146.03603	1.1
147.08032	4.0
149.05971	1.5
157.06453	1.0
159.08029	2.2
160.05188	1.8
161.05962	10.8
163.07523	6.9
171.07991	1.6
175.07536	35.0
184.05212	2.2
187.07463	4.8
190.07785	2.6
191.08572	6.0
196.63814	1.0
199.07518	13.9
201.09108	1.2
202.07750	6.4
203.08591	11.7
208.08736	1.0
218.07228	1.6
219.08046	7.8
220.08710	2.3
231.08011	12.8
232.08742	2.3
236.08307	1.9
237.09113	1.8
247.07639	4.1
248.08246	5.3
249.08896	1.7
251.10661	6.5
259.07559	5.9
260.08307	1.6
261.09039	1.8
263.10645	5.7
265.08441	1.9
275.07001	1.9
275.10693	0.9
276.07794	3.1
277.08603	3.4
279.10129	7.9
281.46124	0.9
291.10132	12.3
292.10880	4.3
293.08023	1.7
295.13281	1.9
296.10397	1.3
297.92258	0.9
308.10336	0.9
311.12695	17.5
323.12753	22.1
325.14072	1.4
500.98740	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1905
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	0.6
57.03421	1.0
61.02903	1.8
66.04712	1.0
69.03426	4.0
69.07039	0.8
70.06572	1.9
71.05000	1.0
79.05457	2.7
81.03423	1.6
81.07049	2.1
84.04497	1.0
84.08138	0.9
85.02907	8.0
85.06538	0.8
86.09695	3.0
91.05422	3.1
93.07034	1.0
94.04182	3.1
95.05022	0.7
97.02885	2.0
98.21464	1.4
98.74481	0.6
99.05579	0.7
99.92654	0.6
103.05461	2.5
104.06174	0.8
105.07020	5.9
107.04927	1.6
107.08607	0.7
109.02854	1.2
109.06505	1.7
115.05441	4.5
117.07005	2.1
119.04921	1.0
119.08560	2.6
120.08115	1.0
121.06493	0.8
122.03617	6.5
122.07133	0.6
125.05962	0.8
127.03906	1.6
128.06180	1.3
129.06975	1.6
129.10237	0.6
131.04903	1.5
131.08572	0.8
132.05714	2.1
133.06454	3.9
137.05963	100.0
137.51134	0.6
138.06306	1.0
139.11058	0.7
141.06941	0.9
143.04939	0.9
145.04935	0.8
145.06493	2.0
147.04404	1.1
147.08052	2.3
149.05959	1.8
151.07542	1.0
153.04088	2.1
155.04944	0.8
156.05701	1.1
159.08029	2.4
160.05220	1.6
161.05956	13.3
163.07533	2.7
167.07025	0.7
171.07986	0.9
172.05136	1.0
175.07535	33.1
179.07085	0.7
184.05145	0.8
187.07535	6.3
190.07774	2.6
191.08542	6.4
199.07512	10.6
201.05450	0.9
202.07719	3.8
203.08505	5.8
217.08521	1.2
218.07132	1.6
219.08022	9.1
220.08725	1.8
231.08037	7.8
232.08829	1.6
235.11247	0.9
236.08192	1.6
247.07445	4.0
248.08295	3.8
249.09163	1.0
251.10687	11.3
259.07660	3.7
260.08316	1.8
261.09033	1.0
262.10034	1.0
263.10651	5.0
263.58954	0.7
264.07666	1.1
265.08633	1.4
276.07846	2.9
277.08517	2.5
279.10172	9.5
280.10883	0.8
291.10114	10.2
292.10803	3.8
293.08191	1.6
295.09717	0.8
295.13211	1.5
296.10446	1.1
299.06226	0.9
308.10437	1.9
311.12762	21.5
323.12787	16.5
323.16595	1.2
341.13785	1.4
371.14563	1.2
381.85907	0.8
503.22598	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1907
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	0.7
54.47578	0.6
54.53486	0.7
55.01849	1.0
57.03427	0.8
61.02917	1.0
67.05468	0.9
69.03426	3.5
69.45592	6.8
70.06593	7.0
71.04970	0.8
72.08134	2.8
73.04758	0.7
79.05475	2.0
81.03400	1.9
81.07047	1.1
83.06091	0.8
84.08127	2.6
85.02903	9.4
85.07666	0.9
86.09695	5.9
89.03957	0.7
91.05405	4.4
94.04179	2.7
95.04950	0.9
97.02878	3.8
103.05463	3.2
105.07038	5.3
107.04933	1.6
109.02874	1.0
109.06492	2.5
110.07159	1.3
112.71252	0.7
115.05428	4.4
117.06991	2.1
119.08575	1.7
120.08070	1.3
121.06512	1.0
122.03641	6.5
127.03929	2.1
128.06200	2.7
129.07011	1.7
129.10220	1.2
131.04889	4.5
132.05690	2.4
133.06474	3.3
136.07603	1.2
137.05963	100.0
138.06360	1.1
141.06979	1.2
144.05670	0.9
145.04964	0.8
145.06467	1.6
146.03644	1.2
147.04402	1.6
147.08041	2.6
149.05957	2.5
151.07527	1.2
159.08028	1.9
160.05205	1.8
161.05957	14.6
163.07494	5.7
165.06969	1.0
167.05508	2.4
167.06987	1.5
169.06474	1.1
171.07968	0.9
172.05199	0.8
175.07529	32.6
179.07021	1.2
184.05209	1.9
187.07547	9.2
189.09081	0.9
190.07759	2.0
191.08522	5.4
199.07532	12.1
201.05417	4.7
201.09224	0.7
202.05971	2.9
202.07819	3.5
203.08533	6.0
205.06517	1.1
205.09967	0.7
218.07277	1.6
219.08005	10.7
220.08804	2.8
221.09557	0.9
231.07982	6.9
232.08850	2.0
235.07414	1.1
235.11089	0.8
236.08290	2.0
237.09088	0.8
247.07515	3.9
248.08272	4.0
249.09073	1.0
251.10669	9.6
253.08633	0.9
258.06625	0.7
259.07526	3.8
260.08304	2.4
260.11493	0.6
261.09079	2.6
263.10645	3.6
264.07910	1.6
264.10919	0.7
265.08591	2.3
275.07178	0.9
276.07761	3.2
277.08563	3.0
279.10117	9.3
280.10870	1.4
291.10135	11.4
292.10953	2.6
293.08170	1.7
295.09982	1.3
295.13223	1.3
296.10266	1.2
299.06100	2.4
307.09607	0.8
308.10461	2.0
309.10992	0.9
311.12756	18.1
323.12766	18.0
326.65915	0.7
503.12915	1.2
503.19931	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1905
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	1.1
57.03432	1.0
62.05315	0.6
69.03409	1.6
69.61684	0.8
69.76299	4.8
70.06576	2.7
72.08123	1.9
79.05489	1.8
79.88832	0.5
81.03400	1.2
84.08121	2.0
85.02908	7.4
86.09676	3.3
86.41031	0.7
91.05431	4.2
94.04176	2.9
97.02882	2.0
99.04443	1.2
103.05458	3.0
105.07014	6.0
107.04944	1.6
109.02887	0.6
109.06513	1.7
110.07198	0.7
115.05462	3.3
117.07039	0.8
119.04979	1.3
119.08578	2.1
120.08118	0.9
122.03643	7.3
127.03899	1.4
128.06235	1.6
129.06999	2.1
129.10248	1.2
131.04889	2.4
132.05730	1.9
133.06468	4.8
137.05962	100.0
138.06322	0.8
144.05653	1.3
145.06439	1.5
146.03635	0.8
147.04385	1.7
147.08029	3.0
149.06001	1.4
155.04816	1.0
156.05751	0.9
159.08014	2.5
160.05196	1.1
161.05966	14.6
163.07541	1.9
172.05206	1.4
175.07527	31.3
179.07082	0.9
184.05251	1.2
185.12929	0.6
187.07518	12.2
189.07066	1.0
189.09131	1.0
190.07755	2.1
191.08549	7.0
199.07520	9.7
202.07828	2.3
203.08530	5.4
206.42941	0.7
208.08833	0.9
215.27965	0.7
217.08640	1.4
218.07315	2.2
219.08031	11.4
220.08771	2.1
221.09531	0.9
231.07996	6.4
232.08817	1.7
235.07552	0.8
236.08272	2.2
237.08836	0.8
247.07573	3.0
248.08345	3.1
249.09129	0.8
251.10635	14.3
259.05002	0.7
259.07483	4.0
260.08279	1.4
261.09131	0.9
263.07318	0.6
263.10721	4.0
264.07843	1.1
276.07800	1.4
277.08536	2.1
279.10126	10.9
280.10818	1.1
281.08160	0.7
291.10104	9.5
292.10968	2.3
295.13077	0.9
296.10388	1.2
299.06082	0.9
307.09988	0.7
311.12753	25.6
323.12759	15.6
443.00699	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1907
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	0.7
54.47578	0.6
54.53486	0.7
55.01849	1.0
57.03427	0.8
61.02917	1.0
67.05468	0.9
69.03426	3.5
69.45592	6.8
70.06593	7.0
71.04970	0.8
72.08134	2.8
73.04758	0.7
79.05475	2.0
81.03400	1.9
81.07047	1.1
83.06091	0.8
84.08127	2.6
85.02903	9.4
85.07666	0.9
86.09695	5.9
89.03957	0.7
91.05405	4.4
94.04179	2.7
95.04950	0.9
97.02878	3.8
103.05463	3.2
105.07038	5.3
107.04933	1.6
109.02874	1.0
109.06492	2.5
110.07159	1.3
112.71252	0.7
115.05428	4.4
117.06991	2.1
119.08575	1.7
120.08070	1.3
121.06512	1.0
122.03641	6.5
127.03929	2.1
128.06200	2.7
129.07011	1.7
129.10220	1.2
131.04889	4.5
132.05690	2.4
133.06474	3.3
136.07603	1.2
137.05963	100.0
138.06360	1.1
141.06979	1.2
144.05670	0.9
145.04964	0.8
145.06467	1.6
146.03644	1.2
147.04402	1.6
147.08041	2.6
149.05957	2.5
151.07527	1.2
159.08028	1.9
160.05205	1.8
161.05957	14.6
163.07494	5.7
165.06969	1.0
167.05508	2.4
167.06987	1.5
169.06474	1.1
171.07968	0.9
172.05199	0.8
175.07529	32.6
179.07021	1.2
184.05209	1.9
187.07547	9.2
189.09081	0.9
190.07759	2.0
191.08522	5.4
199.07532	12.1
201.05417	4.7
201.09224	0.7
202.05971	2.9
202.07819	3.5
203.08533	6.0
205.06517	1.1
205.09967	0.7
218.07277	1.6
219.08005	10.7
220.08804	2.8
221.09557	0.9
231.07982	6.9
232.08850	2.0
235.07414	1.1
235.11089	0.8
236.08290	2.0
237.09088	0.8
247.07515	3.9
248.08272	4.0
249.09073	1.0
251.10669	9.6
253.08633	0.9
258.06625	0.7
259.07526	3.8
260.08304	2.4
260.11493	0.6
261.09079	2.6
263.10645	3.6
264.07910	1.6
264.10919	0.7
265.08591	2.3
275.07178	0.9
276.07761	3.2
277.08563	3.0
279.10117	9.3
280.10870	1.4
291.10135	11.4
292.10953	2.6
293.08170	1.7
295.09982	1.3
295.13223	1.3
296.10266	1.2
299.06100	2.4
307.09607	0.8
308.10461	2.0
309.10992	0.9
311.12756	18.1
323.12766	18.0
326.65915	0.7
503.12915	1.2
503.19931	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.187
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.6
55.01847	2.4
56.04988	0.5
57.03442	3.0
59.43443	0.4
60.25724	0.5
61.02928	3.2
69.03423	17.8
70.06568	1.5
71.04989	5.3
71.49739	0.6
71.50052	0.7
72.08136	0.9
73.02886	2.2
81.03408	20.6
81.03878	1.2
84.08104	0.8
85.02897	17.5
86.09657	0.7
87.04453	1.1
91.03940	0.9
97.02884	6.1
99.04447	6.6
109.02859	1.8
117.05463	1.6
127.03896	3.3
133.07620	3.2
134.05920	0.6
135.09149	0.6
137.05997	1.1
145.04935	1.7
149.09560	0.9
149.10699	0.6
150.09097	0.5
160.07593	0.6
161.05849	0.9
161.07066	7.1
163.08656	4.6
167.05582	0.7
178.07272	0.7
179.08182	1.5
189.06577	5.9
191.08134	6.6
206.06998	0.6
207.07628	100.0
208.07866	1.2
219.07660	0.7
225.63683	0.5
249.08711	1.6
287.10251	1.3
299.05997	0.8
305.11218	2.2
323.12350	36.8
341.13409	84.9
342.13754	1.5
343.13080	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1749
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.9
55.01866	2.1
56.05022	1.3
56.25261	0.9
57.03425	6.1
60.04523	1.1
61.02924	1.8
69.03420	6.4
70.06586	8.9
71.04970	1.0
71.06874	0.9
71.75687	1.2
72.08147	3.1
75.04470	2.8
77.03899	0.9
79.05476	1.4
81.03385	4.8
84.04499	1.5
84.08150	5.1
84.08577	0.8
85.02894	12.0
86.09696	13.5
87.00816	1.1
91.05480	2.9
95.04954	1.5
97.02863	5.2
99.04480	1.1
101.07132	1.1
101.20636	1.1
102.04671	5.3
102.05502	1.1
103.05454	40.1
104.05769	1.3
105.01805	0.9
105.07028	7.6
107.04921	1.3
109.02861	3.1
110.07149	2.5
111.04405	0.9
115.05440	2.2
119.04942	2.8
120.08067	1.5
122.03626	1.7
124.05209	1.4
124.17254	0.8
127.03904	5.2
128.04050	0.7
128.06192	1.0
129.06883	1.0
129.10243	2.9
130.04118	9.6
131.04913	100.0
132.05266	1.7
133.06502	9.6
135.04437	1.0
136.07620	1.0
137.05960	31.6
143.06001	1.1
145.02805	0.9
145.04929	1.4
145.06471	2.3
147.04410	3.2
148.05171	57.4
149.05885	1.4
150.06329	1.6
151.07579	2.4
157.06461	1.7
159.07999	1.6
160.05185	2.4
161.05965	17.3
162.06737	5.3
163.03845	1.9
163.07530	69.8
164.08185	4.6
165.09079	4.3
167.05484	2.5
172.05190	1.3
173.06020	1.0
175.07524	8.1
177.08958	1.1
178.06383	0.9
179.06990	3.4
180.07451	1.6
187.07555	5.7
191.08563	1.9
199.07448	2.1
201.09074	1.9
203.08533	2.2
215.13934	1.5
217.08531	2.1
218.82376	1.0
219.08031	3.5
219.10216	2.4
231.08076	3.9
235.07576	1.0
237.11215	13.8
243.13419	1.6
247.07497	1.7
248.08321	2.2
251.10649	3.4
259.07495	2.0
261.14493	1.9
274.10944	0.9
276.07782	2.0
279.10159	5.5
291.10153	4.7
299.06155	2.2
308.10373	1.3
311.12787	14.6
323.12732	7.4
341.13812	3.6
353.13547	1.0
503.19553	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1456
Annotation	Unknow
Peak:m/z	Relative Intensity
54.41132	1.0
55.05509	1.3
56.05031	1.8
56.71742	1.0
57.03437	1.1
57.07065	1.5
60.04516	1.6
61.01146	3.7
66.36301	0.9
70.02939	1.8
70.06583	7.7
71.75141	1.6
72.04510	13.0
72.08140	4.3
73.02893	2.2
78.03799	1.7
81.03411	1.8
83.04967	2.0
84.04485	3.9
84.08146	4.9
85.02908	7.0
85.06540	4.5
86.09702	7.0
87.99416	1.0
88.02206	15.5
91.05811	2.7
95.04967	2.3
97.02873	1.0
98.98466	1.9
99.04468	2.5
99.05566	13.6
101.07111	1.9
102.03775	2.4
102.05527	2.0
103.02171	1.4
103.03927	6.5
104.01693	1.2
108.96838	1.0
109.02862	5.0
110.07171	2.0
112.07666	1.1
113.05991	3.6
113.15894	1.2
114.03713	6.6
115.05066	1.6
124.07583	4.6
125.07143	1.5
127.03896	3.3
129.10237	3.1
130.08691	2.2
131.04906	1.8
132.04791	14.8
137.05952	10.2
141.06615	1.7
142.08627	16.4
145.02927	1.1
146.03621	1.4
149.07430	2.2
157.27200	1.1
158.02690	1.3
159.05876	10.7
161.05952	4.8
163.07668	1.3
166.08641	1.4
167.05510	3.4
175.05362	4.8
175.07440	2.5
181.11703	1.1
183.04230	1.7
184.09639	10.0
187.04007	1.0
188.01288	1.3
222.07907	1.7
232.57843	1.0
243.11653	2.3
261.12646	20.8
266.99966	1.2
279.10080	1.3
291.10132	2.2
291.26373	1.1
299.06149	4.3
303.10294	1.2
303.13538	1.8
311.12799	2.8
323.13019	2.0
343.16919	5.7
344.97650	1.3
359.10400	4.5
378.49762	1.1
387.15903	3.5
405.16873	100.0
406.17038	3.5
503.14294	2.5
503.33188	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1181
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03910	1.0
55.01844	1.0
55.05463	2.4
57.03400	1.2
58.67753	0.6
61.02884	1.7
67.05450	1.9
68.99747	3.1
69.03429	3.5
69.07012	2.9
69.78884	1.4
69.79303	4.0
70.06586	4.8
72.08092	0.8
72.30126	0.6
73.02874	1.1
79.05460	1.5
81.03354	2.8
81.07055	4.4
83.04958	0.8
83.08566	1.4
85.02903	7.6
85.06496	1.1
87.00819	3.1
91.05432	2.0
93.06982	3.1
95.04926	1.7
95.06047	0.7
95.08604	5.0
97.02827	1.4
97.06489	1.0
97.10126	1.2
98.06146	0.7
99.04376	0.8
99.99702	0.6
102.59713	0.7
103.03883	1.4
103.05430	1.0
105.03384	5.3
105.06956	2.7
107.04893	0.9
107.08588	3.7
108.14600	0.6
108.90689	0.6
109.02815	2.2
109.10142	3.4
111.04422	0.9
115.05367	1.0
116.07018	3.0
119.04868	1.9
119.08521	1.2
121.02845	4.0
121.10088	2.2
123.11642	2.1
127.03772	0.9
129.01770	1.4
129.03294	2.7
131.04895	1.5
133.10101	2.7
135.04297	0.9
135.11671	1.4
137.05930	3.1
141.01781	1.7
143.04822	0.7
145.02765	1.5
145.10063	1.5
147.04341	2.2
147.11627	1.3
149.01187	0.8
149.02278	2.8
149.13168	0.8
149.24205	0.7
151.11032	0.7
159.04272	0.9
159.11681	1.5
161.13292	0.8
163.03851	2.3
165.01820	9.9
165.09000	1.3
167.03415	4.9
175.07527	1.2
177.01843	1.7
181.04930	1.5
183.02878	7.5
187.03847	2.4
195.02908	1.8
205.05003	1.7
213.05450	2.0
215.03400	0.9
215.08575	0.8
223.07457	2.1
226.06241	1.1
239.06979	0.9
241.11092	0.8
243.02724	0.9
251.07008	16.2
251.75891	0.8
254.05658	4.1
255.06473	4.7
261.03961	0.8
261.09058	1.1
263.06982	2.5
265.08578	11.6
267.06500	67.2
268.07239	11.1
270.05219	0.9
271.06018	2.4
279.03442	1.2
279.06488	23.4
279.10037	5.7
281.04843	0.8
281.08011	3.8
283.02798	1.4
283.05957	27.5
289.08533	8.1
291.06512	4.1
292.07257	6.6
293.04538	2.2
293.08020	31.8
295.06018	4.1
297.07544	100.0
298.07864	1.4
299.05728	1.9
303.06335	0.9
305.08066	1.3
305.24631	1.6
307.06149	1.1
307.09579	22.5
308.09982	1.1
309.07629	2.0
311.05527	1.9
311.09247	0.7
313.07037	1.9
317.08072	13.2
319.09549	0.9
320.06689	0.8
321.07547	42.4
322.07742	1.2
323.05487	1.0
323.25711	1.1
333.07538	1.9
335.09158	9.1
337.06931	1.5
339.08755	1.0
341.19064	0.9
345.07584	14.4
351.08664	1.2
363.08600	82.3
364.08975	1.7
381.09647	13.4
383.07571	0.8
399.11035	3.3
405.09592	2.0
423.10693	1.8
449.08612	2.6
459.21783	1.3
467.09726	23.8
467.16391	1.4
485.10782	7.2
502.35657	1.2
503.11914	4.3
503.18488	3.8
503.24655	50.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1181
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03910	1.0
55.01844	1.0
55.05463	2.4
57.03400	1.2
58.67753	0.6
61.02884	1.7
67.05450	1.9
68.99747	3.1
69.03429	3.5
69.07012	2.9
69.78884	1.4
69.79303	4.0
70.06586	4.8
72.08092	0.8
72.30126	0.6
73.02874	1.1
79.05460	1.5
81.03354	2.8
81.07055	4.4
83.04958	0.8
83.08566	1.4
85.02903	7.6
85.06496	1.1
87.00819	3.1
91.05432	2.0
93.06982	3.1
95.04926	1.7
95.06047	0.7
95.08604	5.0
97.02827	1.4
97.06489	1.0
97.10126	1.2
98.06146	0.7
99.04376	0.8
99.99702	0.6
102.59713	0.7
103.03883	1.4
103.05430	1.0
105.03384	5.3
105.06956	2.7
107.04893	0.9
107.08588	3.7
108.14600	0.6
108.90689	0.6
109.02815	2.2
109.10142	3.4
111.04422	0.9
115.05367	1.0
116.07018	3.0
119.04868	1.9
119.08521	1.2
121.02845	4.0
121.10088	2.2
123.11642	2.1
127.03772	0.9
129.01770	1.4
129.03294	2.7
131.04895	1.5
133.10101	2.7
135.04297	0.9
135.11671	1.4
137.05930	3.1
141.01781	1.7
143.04822	0.7
145.02765	1.5
145.10063	1.5
147.04341	2.2
147.11627	1.3
149.01187	0.8
149.02278	2.8
149.13168	0.8
149.24205	0.7
151.11032	0.7
159.04272	0.9
159.11681	1.5
161.13292	0.8
163.03851	2.3
165.01820	9.9
165.09000	1.3
167.03415	4.9
175.07527	1.2
177.01843	1.7
181.04930	1.5
183.02878	7.5
187.03847	2.4
195.02908	1.8
205.05003	1.7
213.05450	2.0
215.03400	0.9
215.08575	0.8
223.07457	2.1
226.06241	1.1
239.06979	0.9
241.11092	0.8
243.02724	0.9
251.07008	16.2
251.75891	0.8
254.05658	4.1
255.06473	4.7
261.03961	0.8
261.09058	1.1
263.06982	2.5
265.08578	11.6
267.06500	67.2
268.07239	11.1
270.05219	0.9
271.06018	2.4
279.03442	1.2
279.06488	23.4
279.10037	5.7
281.04843	0.8
281.08011	3.8
283.02798	1.4
283.05957	27.5
289.08533	8.1
291.06512	4.1
292.07257	6.6
293.04538	2.2
293.08020	31.8
295.06018	4.1
297.07544	100.0
298.07864	1.4
299.05728	1.9
303.06335	0.9
305.08066	1.3
305.24631	1.6
307.06149	1.1
307.09579	22.5
308.09982	1.1
309.07629	2.0
311.05527	1.9
311.09247	0.7
313.07037	1.9
317.08072	13.2
319.09549	0.9
320.06689	0.8
321.07547	42.4
322.07742	1.2
323.05487	1.0
323.25711	1.1
333.07538	1.9
335.09158	9.1
337.06931	1.5
339.08755	1.0
341.19064	0.9
345.07584	14.4
351.08664	1.2
363.08600	82.3
364.08975	1.7
381.09647	13.4
383.07571	0.8
399.11035	3.3
405.09592	2.0
423.10693	1.8
449.08612	2.6
459.21783	1.3
467.09726	23.8
467.16391	1.4
485.10782	7.2
502.35657	1.2
503.11914	4.3
503.18488	3.8
503.24655	50.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1182
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	0.7
55.05529	0.5
61.02909	0.6
65.03931	0.8
67.05474	0.5
68.99763	0.6
69.62986	2.0
69.63415	2.5
70.06576	1.2
71.05002	0.5
72.72681	0.6
78.16766	0.5
81.03401	1.8
83.04970	1.5
84.08121	0.7
85.02898	7.6
86.09684	1.1
87.00820	3.0
87.14178	0.5
91.05446	1.7
93.03385	1.6
95.04971	0.8
95.08580	0.6
95.09682	0.5
99.70184	0.5
103.05455	1.2
105.07015	1.2
107.04922	0.5
111.04475	1.2
115.05458	0.7
119.04951	4.3
119.08562	0.8
121.02850	8.3
122.03638	1.6
127.03951	0.6
129.05510	0.9
131.04941	1.8
133.02853	0.7
137.04913	1.2
137.05957	14.6
145.02867	3.1
147.08037	1.0
149.02336	4.9
149.05910	0.7
151.03844	0.7
151.81627	0.6
156.05661	0.7
161.05939	2.3
163.03905	1.7
163.07503	1.4
165.01839	2.4
165.06993	0.8
167.03398	9.3
167.05518	0.6
167.06984	1.2
175.07552	4.0
177.01836	4.4
183.02884	1.7
185.05971	0.7
187.07468	1.4
189.01395	0.6
191.08508	0.6
195.02861	5.9
199.07516	1.6
200.07825	1.0
201.05461	2.1
203.08467	0.9
211.07500	1.4
215.05489	2.5
219.08054	1.2
221.09441	0.6
233.06464	1.1
239.07011	3.5
248.08167	0.9
256.06631	0.6
265.08102	0.6
266.05624	1.0
267.06509	39.5
268.07095	0.8
270.05182	2.7
271.05960	7.3
277.08780	0.6
279.06659	0.7
279.10126	1.0
281.07983	1.5
283.02875	1.3
283.05975	24.2
284.06729	10.2
291.10098	1.3
295.05994	100.0
296.06314	2.2
297.04257	0.9
297.07593	2.4
297.10791	0.6
299.06006	1.6
307.05984	0.7
309.07544	4.3
309.10922	1.0
311.05341	0.7
311.09058	0.8
311.12677	1.6
313.07043	63.1
314.07343	1.1
321.07446	1.6
323.12762	2.5
325.07016	2.3
335.09079	2.4
335.12708	0.8
337.07043	6.9
349.14151	0.9
355.08063	0.8
363.08609	6.7
381.05450	0.6
381.09769	7.3
399.06909	36.2
400.07117	0.9
417.11914	1.7
485.10577	2.6
485.17197	0.6
503.11813	12.3
503.19995	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1181
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03924	0.5
68.99762	0.3
69.03397	1.2
70.06547	0.3
70.10581	1.3
72.69533	0.3
81.03391	1.2
85.02899	3.7
86.09692	0.3
87.00816	2.9
93.03324	0.5
95.04939	0.5
95.58366	0.3
97.02856	0.4
98.21465	0.3
103.03909	0.6
103.05437	0.9
105.01798	0.3
105.03374	2.3
108.24844	0.2
109.02853	0.3
121.02813	1.7
127.03906	2.4
129.03343	1.6
133.02837	0.4
137.05959	1.3
143.38654	0.3
145.04924	0.8
147.04364	0.5
149.02322	3.6
153.01811	0.3
165.01840	1.1
167.03392	8.9
167.08488	0.6
175.07561	1.3
177.01775	2.4
179.08266	0.3
183.02858	0.8
195.02838	1.8
195.08026	0.7
201.05402	0.3
211.07680	0.4
213.05432	0.8
223.07523	4.8
239.06842	0.3
240.07776	0.3
249.06068	0.5
250.06201	0.6
251.07010	36.7
252.07358	0.5
254.05745	1.7
255.06503	4.5
263.07166	0.3
265.08511	0.9
267.06491	17.0
268.07251	7.7
268.10153	0.4
269.08063	0.8
279.06491	100.0
280.06912	2.0
281.04456	0.6
281.08038	0.6
283.05984	0.5
291.06323	0.8
292.07343	0.6
293.08069	2.9
295.05774	0.6
297.07550	56.9
298.07861	1.1
299.06052	0.3
305.08224	0.5
307.05893	0.3
307.09610	0.4
309.07434	0.5
317.08243	0.7
319.05804	0.3
321.07535	4.6
333.07541	1.1
339.08569	0.4
345.07498	0.6
351.08649	1.4
363.08679	2.5
365.07065	0.3
381.09592	1.9
383.07571	33.3
384.07883	0.7
389.79715	0.3
399.10706	2.7
417.11688	1.0
456.30948	0.3
485.10590	1.3
503.11789	8.0
503.35681	0.9
521.10431	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.3885
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	8.3
56.05021	2.6
66.68301	1.6
67.05495	4.5
69.07069	1.8
70.02935	2.2
70.06587	2.4
71.04990	19.4
71.08631	13.5
71.73139	2.9
79.05468	3.7
81.07069	2.1
86.06076	1.8
91.05435	2.0
93.07031	4.4
94.06541	1.8
95.08595	1.8
96.08133	5.2
98.06098	1.6
98.09689	14.5
99.08102	12.9
108.08103	10.8
109.15470	1.6
122.06033	18.6
126.12799	1.8
136.07565	85.5
140.07056	19.2
165.09113	3.5
178.15919	12.5
183.45879	1.3
196.16943	15.0
206.15395	21.2
224.16434	100.0
225.16722	2.6
242.17575	4.7
298.11334	1.7
484.37863	64.6
485.38214	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	502.388
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39254	0.8
53.59712	0.8
55.01868	16.4
55.05489	1.8
64.59523	0.8
67.05496	5.9
68.05021	2.9
69.03429	1.0
69.07061	5.5
70.02939	3.9
70.06587	6.4
71.04984	18.6
71.05372	0.9
71.73740	1.6
79.05490	3.4
80.04993	1.2
81.07041	7.1
86.06068	1.8
91.05483	1.2
93.07037	2.6
94.06540	2.4
95.08604	2.3
96.08100	4.5
97.06522	16.7
98.09689	9.1
105.07017	1.1
106.06558	2.9
107.08564	1.8
108.08108	4.7
109.10135	2.4
112.07617	0.9
120.08102	3.1
122.06026	15.2
124.07584	30.4
135.08076	1.8
136.07564	59.2
140.07042	22.9
148.07568	3.2
148.11163	1.7
149.08353	1.0
150.12750	0.9
152.07114	1.4
153.07878	1.9
167.05342	0.8
168.22340	1.0
173.74422	0.9
176.14313	4.8
191.02274	0.9
194.15405	3.8
204.13844	14.7
222.14867	100.0
240.15948	3.9
263.23911	1.1
274.55734	0.9
370.30685	0.9
397.79459	0.9
437.65009	1.0
484.37833	57.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.2642
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53392	8.5
53.03942	9.9
55.01857	21.8
55.05501	37.7
56.22539	9.8
57.03429	8.8
59.05000	7.5
61.02908	11.4
67.05487	52.9
69.03413	15.2
69.07066	28.6
70.06590	10.4
70.33109	29.6
72.08156	10.2
77.75443	8.3
79.05479	58.8
81.03399	52.5
81.07055	79.7
83.04991	18.3
83.08622	27.7
85.02897	20.0
90.55186	7.3
91.05453	62.3
93.07039	62.5
95.01314	16.1
95.04960	43.8
95.08598	39.8
97.02882	14.1
97.06541	10.4
97.10203	13.2
101.30414	7.5
102.66535	7.7
105.07024	47.2
107.04938	28.8
107.08610	36.4
109.02851	10.0
109.06493	29.3
109.10117	10.0
111.08116	12.6
116.06286	8.1
116.07074	14.2
116.64878	9.4
117.07009	26.7
118.97656	7.7
119.08568	40.4
121.06467	19.9
121.10101	22.1
123.08050	22.5
129.06989	19.0
131.08568	43.1
133.06468	15.7
133.10152	30.7
135.08032	49.7
135.11716	11.7
137.05914	10.3
142.52557	7.7
143.08591	14.2
145.06450	9.2
145.10092	28.3
147.07994	15.4
147.11681	13.1
149.09595	25.3
155.08589	9.9
157.10112	19.9
159.08031	11.6
159.11731	14.8
161.09576	10.7
163.07590	8.4
163.11162	29.1
169.09984	9.4
171.07988	9.6
187.11221	13.2
193.12248	31.6
199.11165	10.2
207.13747	7.9
247.13278	10.3
273.18533	32.1
275.12793	23.6
285.18646	10.0
291.19482	53.7
293.13879	37.2
311.14832	41.9
321.13358	11.4
339.14423	19.5
369.20453	14.2
403.21457	11.6
431.20480	17.8
449.21594	100.0
467.22772	74.0
502.31705	11.4
509.03320	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	502.2639
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	4.3
55.01867	4.2
55.05503	17.8
57.07063	4.4
67.05500	34.5
69.07049	16.0
70.06576	7.1
79.05485	28.7
81.03405	5.7
81.06609	5.7
81.07050	76.7
83.04980	9.8
83.08597	8.9
85.02887	3.8
91.05468	25.3
93.07045	28.5
95.04961	16.6
95.08592	25.8
105.07013	31.8
107.04960	6.5
107.08598	18.3
109.06512	23.8
109.10135	7.3
111.08091	6.4
117.07015	5.8
119.08540	24.6
121.10127	17.9
129.01794	5.1
129.06981	4.5
131.08540	11.9
133.10136	18.4
135.11703	6.9
136.40184	3.4
137.09613	3.4
139.37575	3.4
143.08601	4.1
145.10133	13.3
147.11652	24.0
149.09618	10.2
149.13205	7.8
151.11110	4.8
157.10124	6.2
159.11713	5.7
163.11177	9.3
165.12740	7.2
171.96391	3.6
173.13338	6.1
257.18964	8.0
258.55371	3.7
260.01041	3.5
275.20035	100.0
290.13693	4.6
293.21075	54.4
403.21198	3.6
421.22244	4.9
449.21445	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	502.1509
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02914	1.4
69.03410	5.6
70.06574	5.4
70.32384	6.6
70.32681	1.5
72.08148	1.8
84.08146	2.0
85.02893	13.6
87.04443	3.8
94.92997	4.7
96.92191	2.4
97.02871	6.4
104.07095	2.5
104.99272	3.5
109.02803	1.5
112.89585	3.0
116.04681	1.7
116.07028	3.4
116.98609	1.8
119.01918	2.5
120.13792	1.4
123.99781	1.6
127.03884	5.7
131.01819	1.6
143.01839	2.6
145.04932	3.4
149.97084	1.4
155.01816	1.8
160.03450	100.0
161.02849	2.6
161.05513	3.1
170.06052	3.1
173.02866	2.2
183.04997	3.0
185.02896	3.4
185.04332	1.9
197.03075	1.9
203.05251	6.3
220.04283	36.8
221.04739	2.4
232.04292	3.4
235.23347	1.4
237.02432	2.2
238.05333	50.8
242.08128	5.0
245.05034	7.4
250.05247	3.4
251.08647	6.1
261.06998	2.9
266.23523	1.3
267.03302	3.6
268.06064	2.2
273.08084	4.3
277.00046	3.1
278.00650	1.8
279.03384	1.6
280.06427	6.9
321.10327	7.6
322.07224	2.8
322.10577	2.2
339.00415	1.5
365.10492	26.9
502.15128	12.9
503.11581	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	501.3781
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20440	2.9
52.55177	2.9
53.03918	3.7
55.01850	4.8
55.05507	54.0
57.03433	28.7
57.07068	58.1
59.04980	3.5
64.45937	3.1
67.05497	70.4
69.07059	89.3
71.08623	39.9
71.75897	4.4
75.04469	10.8
79.05485	25.9
81.06602	6.2
81.07047	92.7
83.04958	5.4
83.08611	72.1
85.06528	3.5
85.10176	15.1
91.05464	8.2
93.07037	39.5
95.08598	96.7
97.06522	19.9
97.10155	41.5
105.07016	3.6
107.08601	30.9
109.02857	4.6
109.10139	38.2
111.08084	13.2
111.11714	14.3
113.05993	6.0
115.07508	3.4
121.10126	45.9
123.11700	22.3
125.09606	9.7
129.09079	5.3
131.07016	6.6
135.11688	31.9
137.13220	6.2
139.11200	11.5
140.71574	3.2
147.11649	4.6
147.49196	2.9
149.13255	14.6
153.12733	7.7
163.14827	10.5
167.14297	4.5
171.13889	3.5
177.16377	7.0
181.15865	6.8
191.17903	5.3
195.17419	7.9
205.19499	4.1
209.19044	8.4
213.18437	3.9
233.22665	4.7
289.28986	14.3
307.30002	19.3
317.28613	15.0
333.28110	3.5
335.29373	37.1
371.31512	100.0
372.31958	4.3
405.44693	3.4
409.33017	59.4
427.34140	84.5
428.34262	3.5
482.67941	3.7
483.36984	27.3
484.17557	4.9
501.31552	4.3
501.37903	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	501.3056
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	4.2
55.01860	2.2
55.05504	17.8
55.80958	1.4
57.03423	2.2
57.07062	2.9
59.04992	3.3
65.03932	2.8
67.05141	2.6
67.05499	41.0
69.03420	17.6
69.07066	31.5
70.06583	4.4
71.04981	3.7
71.73215	2.0
79.05479	14.4
81.03409	22.1
81.07050	40.3
83.04969	5.3
83.08611	5.5
85.02898	3.7
85.06525	6.5
87.04500	2.1
89.06042	1.5
89.06953	1.4
91.05481	13.1
93.07037	46.3
95.04949	17.1
95.08603	57.0
97.02870	3.3
97.06516	11.7
97.10155	21.6
99.04463	3.1
99.08081	3.1
105.07004	16.6
107.08580	15.5
109.02866	23.1
109.06509	3.5
109.10150	64.7
110.10493	1.5
111.08078	3.8
111.11689	9.0
113.06003	9.8
117.06974	1.6
119.08568	19.0
121.06494	1.6
121.10137	100.0
123.08088	6.5
123.11713	7.6
125.05987	1.8
125.09646	4.1
127.03951	3.5
131.08568	5.8
133.10130	8.6
135.08041	2.8
135.11684	8.5
137.06036	2.3
137.09605	68.3
137.13266	4.4
139.11172	21.0
143.08578	1.9
143.10706	1.7
145.04965	1.5
145.10095	6.4
147.11674	16.5
149.09610	2.7
149.13263	3.5
151.11151	3.5
155.14250	2.9
157.10153	3.4
157.12233	18.2
159.11650	13.5
161.13243	7.3
163.11147	3.4
163.14806	2.9
165.12764	2.6
167.08681	1.8
171.11700	2.4
173.09599	1.8
173.13225	3.3
174.37180	1.6
175.07544	2.9
175.14804	5.2
181.15849	2.8
185.11678	1.7
187.14822	3.4
189.16385	5.3
191.14320	3.1
193.15891	3.1
199.14856	2.8
203.12737	9.0
207.17361	2.7
217.15881	5.7
229.15799	1.5
235.16969	12.0
253.17978	5.3
285.22147	4.2
289.08511	1.9
289.18552	1.6
291.23260	11.8
303.23172	22.1
321.24271	6.1
329.15936	22.2
339.05017	1.9
347.16867	3.0
350.56583	1.7
363.67697	1.6
397.22382	1.6
453.27682	2.1
465.28281	3.8
471.29642	1.9
483.29245	8.5
501.30576	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.3057
Annotation	Tricalysioside T
Peak:m/z	Relative Intensity
53.03941	6.8
55.01851	3.3
55.05507	59.6
57.03424	5.3
57.07079	10.7
59.04988	5.9
65.03931	2.6
67.05502	31.4
69.03421	15.5
69.07066	41.0
69.60641	14.3
70.06592	3.7
71.04990	7.5
72.08177	1.5
79.05487	17.9
81.03408	49.8
81.07052	79.2
83.04980	6.8
83.08625	8.8
84.04423	1.7
84.08141	1.5
85.02904	5.7
85.06542	11.8
86.09681	2.4
87.04489	2.0
89.06017	4.4
91.05479	14.8
93.07040	41.0
95.04961	24.5
95.08601	72.0
97.02879	3.3
97.06526	9.6
97.10162	100.0
98.20710	3.3
99.04466	11.4
99.08106	3.4
101.06014	2.5
103.05451	1.6
105.07027	32.1
107.08006	1.3
107.08585	37.8
109.02869	42.0
109.06512	6.8
109.10147	47.3
111.08057	3.4
111.11649	7.2
113.09641	3.2
117.07007	3.9
119.08575	27.2
121.06496	4.3
121.10146	36.5
123.08047	6.8
123.11704	29.5
125.09615	22.0
127.03894	8.7
127.07536	1.7
127.11181	2.4
131.08548	8.1
133.02838	3.0
133.10121	15.6
135.08044	6.6
135.11688	19.6
137.05963	4.1
137.09575	12.0
137.13188	8.3
139.11180	21.2
141.09085	5.1
143.08592	2.8
143.10670	33.1
145.04993	2.8
145.10141	15.0
147.08075	2.9
147.11667	20.3
149.09633	1.8
149.13226	11.6
151.07570	5.0
151.11113	3.4
151.14835	3.0
153.09053	1.9
153.12688	2.8
155.10475	1.8
155.16362	1.9
157.10156	3.5
157.12218	9.8
159.11674	13.8
161.09590	7.1
161.13252	15.6
163.11179	4.5
163.14850	3.9
165.09105	6.2
165.12749	12.1
167.10753	3.3
167.14287	1.9
169.08582	1.9
169.10034	2.3
171.10156	6.0
171.11552	3.5
173.11913	2.0
173.13268	7.0
175.07426	1.5
175.11200	5.6
175.14799	7.7
177.12729	7.3
177.16269	1.8
179.10692	2.2
179.14311	3.9
181.12289	1.6
187.14870	9.8
189.11214	10.8
189.12718	2.6
189.16364	3.0
191.14314	2.0
191.17827	1.7
192.22998	1.6
193.12187	3.4
193.15871	2.4
195.13824	1.9
199.14958	2.4
201.16412	4.5
203.12720	3.0
203.14357	2.2
203.18051	2.4
205.15872	4.7
215.17741	2.0
217.15857	2.8
219.08023	1.7
219.17404	3.8
221.19028	1.8
229.15884	3.7
229.19444	1.9
233.19098	1.7
237.18564	1.7
243.21043	3.8
247.16815	1.7
257.22690	4.1
261.22113	3.0
267.21066	5.0
275.23636	7.6
285.22025	9.3
291.23145	3.4
293.24847	4.7
298.72128	1.7
303.23157	32.0
311.05548	2.0
313.12946	1.9
315.14368	18.4
321.24228	30.9
329.15808	4.8
337.07205	2.2
339.04984	10.2
339.25082	2.1
351.12350	4.2
413.71890	1.7
465.28534	8.3
473.51691	2.0
483.29477	38.1
488.10742	1.6
495.38614	1.6
501.18466	6.8
501.30463	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	501.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	12.5
55.01863	9.7
61.02938	21.4
69.03438	49.9
69.07057	9.1
70.06581	100.0
70.40796	18.6
70.41203	19.3
72.08142	73.4
73.02903	12.8
81.03418	20.7
84.04496	24.0
84.08138	49.7
85.02895	89.1
86.06036	9.5
86.09697	52.6
87.04456	11.8
91.03955	17.6
91.05442	13.3
92.68111	10.1
93.07108	12.2
93.25048	9.4
95.08547	10.9
97.02296	9.3
97.02869	46.0
99.04386	11.0
105.07010	11.1
107.77677	9.9
108.08109	9.6
109.02854	12.3
121.06483	10.5
127.03902	16.8
129.10216	31.7
130.04977	12.6
145.04944	35.6
146.06064	10.6
147.07938	11.3
150.89621	9.0
153.04103	49.7
153.05232	9.5
159.09160	11.7
179.56319	8.8
193.05098	15.3
193.06847	12.2
206.10243	31.3
239.04108	12.7
267.11243	31.9
272.11392	13.1
276.12335	14.1
285.12259	30.8
303.13367	64.2
304.11639	18.8
319.10477	21.6
321.14389	37.7
322.13565	12.1
337.98572	9.7
339.15332	33.0
369.14038	25.4
465.17160	15.0
500.77560	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	501.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68386	4.6
64.81698	4.3
65.34175	4.6
67.05475	5.0
69.03431	7.6
69.07046	5.7
70.06563	24.0
71.73943	7.3
72.08151	9.1
74.03253	4.6
79.05482	5.9
81.07050	6.4
84.04483	5.0
84.08105	12.4
85.02881	14.8
86.06080	5.1
86.09686	16.9
86.51804	4.1
91.05466	4.7
93.07050	5.2
95.04942	5.6
97.02811	6.2
99.04445	5.0
108.95985	4.3
110.06031	11.4
112.11231	5.7
119.04905	6.7
122.06020	24.2
124.07571	16.7
134.06000	27.0
136.07567	73.7
137.05968	10.4
138.06323	6.6
140.07083	11.6
145.10114	4.7
147.04414	14.7
152.07053	96.3
164.07039	100.0
170.08159	14.2
172.07515	5.1
176.72241	4.2
182.08112	21.4
188.06950	5.7
208.02513	4.8
240.13785	4.9
242.11678	5.6
260.12744	12.6
265.07755	4.7
279.09750	10.2
285.12238	7.5
303.13327	78.6
307.09390	5.2
321.14389	45.7
339.11752	29.7
339.15433	16.6
498.25101	4.8
501.17157	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	501.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76505	10.0
53.39203	9.9
55.58836	9.8
57.03420	13.5
61.02925	18.3
69.03432	26.7
70.06582	100.0
71.72900	12.0
72.08152	62.1
81.03426	17.1
84.04492	30.5
84.08130	41.6
85.02901	85.5
86.09686	68.6
91.05492	13.6
95.04991	13.1
97.02884	31.3
98.05977	11.9
101.07130	14.4
105.07018	32.6
109.02152	10.5
109.02862	18.4
110.06048	12.3
116.04996	15.8
119.87360	11.4
120.08100	13.0
122.06030	13.4
125.94027	12.9
127.03918	38.3
129.10249	13.1
145.04933	40.1
153.04095	72.8
154.08463	11.0
159.09175	15.9
161.98671	11.3
163.06094	13.4
168.68269	11.4
175.08725	12.9
188.09332	14.4
192.06555	40.6
193.06960	20.7
206.10255	39.7
211.96985	11.0
244.09729	16.6
257.12082	11.1
303.13263	26.0
319.10333	18.5
321.14539	13.4
337.11288	17.6
369.13937	43.6
500.78363	13.3
501.19315	19.6
501.33649	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	501.1907
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	2.8
56.05051	2.4
56.96563	2.1
58.57016	1.8
65.64361	2.1
67.05486	2.3
69.03410	2.3
69.07063	2.4
70.06583	21.0
71.76134	3.4
72.08155	12.3
79.05488	6.4
81.07066	2.2
84.04523	4.1
84.08133	10.1
85.02908	2.5
86.09704	19.9
87.82374	2.1
88.03973	3.6
91.05477	15.7
94.04147	4.9
95.04963	4.6
103.05445	16.9
105.07020	28.1
107.04942	4.9
109.02826	2.6
109.06500	2.5
110.07165	5.8
115.05416	15.3
116.06255	2.0
117.07014	5.1
119.04935	5.7
119.08568	3.7
120.08080	4.5
121.06491	2.6
122.03610	10.3
128.06213	6.0
129.06979	4.5
129.10240	3.9
131.04921	30.9
131.08582	2.3
132.05692	3.9
133.06499	21.3
133.10127	6.2
135.04449	3.7
137.05963	100.0
141.06995	4.8
144.05692	4.2
145.06483	8.7
146.03635	3.2
146.07256	15.2
147.04419	6.8
149.05984	10.9
151.07510	5.1
155.04901	3.7
155.06023	3.3
156.05719	3.5
157.06505	3.0
159.08044	10.2
160.05220	5.9
161.05962	55.5
162.06558	3.3
163.07558	13.0
165.06992	6.0
166.07765	3.9
168.05687	3.7
169.06480	2.9
171.04471	4.2
172.05211	5.0
173.06013	7.5
174.03987	8.2
174.06752	4.7
175.07535	19.2
177.05499	10.8
177.06877	2.7
178.07565	2.1
179.07008	2.6
179.08540	3.0
183.08206	2.3
184.05208	6.0
185.05939	10.8
186.06758	5.0
187.07515	23.3
189.07123	3.3
189.09035	2.8
190.07806	3.3
191.07005	5.4
191.08615	4.3
193.06499	5.6
194.07263	13.5
199.07518	31.5
201.05377	4.3
201.09091	4.4
202.07857	4.3
203.06943	3.6
203.08643	3.8
205.06512	8.1
206.07329	2.4
210.06763	2.4
211.07524	4.6
215.06987	5.1
217.06615	2.8
217.08562	4.4
218.07263	5.3
219.08017	5.1
221.05991	6.6
221.09515	2.6
222.06708	9.3
223.07404	4.7
224.08456	3.0
225.09152	4.6
231.06319	4.3
233.05951	2.3
233.09615	3.4
234.06735	5.7
235.07571	8.5
236.08403	3.0
237.09163	10.0
239.07011	2.9
243.08119	2.4
244.08717	2.1
246.06654	3.2
247.07576	3.8
248.08139	2.9
249.09158	5.6
250.06207	3.1
250.09779	2.2
251.07002	4.2
252.07837	3.1
253.08530	5.4
259.07492	4.3
260.08542	2.7
261.09137	9.8
262.09775	2.7
263.07187	4.1
263.10416	2.2
264.07831	4.9
265.08554	30.4
267.10269	3.8
275.07202	3.1
275.10754	2.9
277.08536	11.7
278.09344	6.2
279.03238	3.2
279.06503	2.5
279.09970	4.2
282.08789	5.7
283.09839	4.3
285.11392	12.1
286.13705	2.4
287.07117	2.8
287.10410	3.1
288.07919	2.9
289.08475	12.0
290.09277	2.6
291.06732	2.4
291.10135	6.7
293.11777	5.8
295.09570	6.0
297.04208	5.1
297.11166	37.1
301.08850	3.2
306.08987	3.2
307.09653	5.4
309.11166	6.5
315.12500	29.3
319.13272	2.4
321.11127	29.2
322.12006	6.5
323.12985	2.9
324.05811	3.5
331.09595	3.2
335.12653	13.5
339.12247	6.1
340.13062	4.1
346.11914	4.2
347.12766	10.8
351.12231	5.0
359.12781	2.3
377.13840	9.0
379.13333	3.1
384.08267	2.5
393.10931	2.5
439.15112	6.9
451.15359	4.5
452.15991	2.3
469.15952	4.4
471.18140	8.6
483.10999	5.4
483.17987	10.5
501.18900	40.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1026
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03902	0.2
55.01836	0.1
55.05465	0.5
57.03395	0.2
57.07035	0.2
61.02908	0.2
63.02356	0.1
63.92366	0.1
67.05492	0.8
68.37634	0.1
69.03418	1.0
69.07055	0.9
69.48670	1.2
70.06565	0.2
71.03182	0.1
71.04945	0.4
73.02859	0.2
79.05424	0.5
81.03402	1.1
81.07047	1.3
83.04929	0.3
83.08575	0.3
84.08091	0.2
85.02888	1.0
85.06487	0.3
86.09647	0.5
87.04437	0.2
89.03876	0.2
91.05400	0.4
93.07034	1.2
95.04918	0.5
95.08594	1.2
97.02832	0.5
97.06471	0.3
97.10102	0.5
99.04409	0.2
99.08085	0.1
101.08271	0.1
105.07027	1.1
107.04885	0.2
107.08587	0.8
108.55193	0.2
109.02866	0.7
109.06463	0.4
109.10155	0.9
111.08051	0.3
111.11712	0.2
116.95815	0.1
117.06984	0.1
119.08561	0.9
120.08033	0.2
121.02838	0.2
121.06454	0.1
121.10138	0.9
123.08011	0.3
123.11651	0.5
125.09582	0.3
127.03886	0.7
131.08525	0.3
133.06369	0.1
133.10150	0.6
135.04405	2.3
135.07961	0.2
135.11696	0.8
137.02295	0.7
137.05972	0.2
137.09518	0.5
139.11116	0.4
143.08444	0.2
145.10052	0.5
147.11601	0.4
149.02309	0.6
149.09581	0.3
149.13217	0.2
151.07568	0.1
151.11073	0.2
153.12662	0.2
157.12306	0.2
159.11665	0.3
161.02286	0.5
161.09544	0.3
161.13210	0.3
163.11200	0.2
165.09035	0.2
167.03398	0.7
167.61780	0.1
171.11613	0.1
175.11220	0.1
175.14772	0.3
177.00386	0.2
177.01822	3.1
179.10556	0.2
181.01270	0.2
181.06458	0.3
181.12151	0.2
189.16447	0.2
195.02832	0.5
195.11772	0.1
203.14261	0.1
205.01302	5.3
217.15955	0.3
223.02307	0.6
231.07816	0.1
235.16850	0.5
237.05446	0.3
253.17961	0.3
265.04861	0.3
283.05908	0.9
285.22107	0.3
293.04361	0.5
303.23138	0.9
311.05457	18.0
312.05710	0.5
321.24170	0.6
338.03992	0.1
339.04950	100.0
340.05307	2.8
483.29266	0.2
501.10239	12.3
502.10431	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.3732
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17346	1.4
53.03920	2.2
55.01870	41.3
55.05481	2.8
57.32507	1.4
60.33193	1.6
67.05513	13.8
68.05010	5.0
69.07065	12.8
69.89245	7.0
69.89657	3.8
70.02933	7.3
70.06592	15.4
70.81473	1.5
71.04623	2.7
71.04989	42.1
74.48996	1.7
79.05485	15.4
80.05002	2.0
81.07043	13.8
82.32596	1.7
84.08144	2.4
86.06046	3.2
91.05472	7.3
93.07043	10.9
94.06562	7.2
95.04935	2.1
95.08597	3.0
96.08128	9.4
97.05885	1.7
97.06522	32.2
98.09695	20.3
105.07000	4.2
106.06551	6.6
107.08578	6.0
108.08122	9.4
109.10140	3.7
112.07616	2.8
119.08597	2.5
120.08116	2.9
121.10151	2.7
122.06020	26.6
124.07585	66.3
124.11207	1.9
134.05988	2.1
135.07999	3.6
136.07568	100.0
140.07050	36.2
148.07573	5.7
148.11276	3.3
149.08266	1.6
150.12741	3.1
152.07072	3.0
152.10719	1.7
153.07835	6.6
163.83427	1.7
176.14389	7.7
186.12856	2.3
194.15388	7.5
204.13849	17.9
209.04187	1.6
222.14879	95.0
240.15933	3.7
265.47012	1.6
347.87381	1.7
482.36316	46.6
504.17783	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.1397
Annotation	Unknow
Peak:m/z	Relative Intensity
54.26184	0.3
55.01851	0.3
57.03428	5.8
59.04984	0.3
61.02918	1.7
67.08607	0.3
69.03417	6.3
70.06594	1.5
70.54704	1.2
71.01340	0.8
71.04977	0.3
73.02905	11.3
77.93117	0.3
81.03403	1.0
84.08128	0.3
85.02898	9.0
87.04460	0.6
91.03925	0.3
91.05421	0.3
97.02876	7.1
99.04428	0.4
103.03931	0.4
109.02868	0.7
111.04382	0.4
115.03917	5.6
116.07048	0.7
127.03887	2.7
132.04440	6.6
133.04942	0.9
139.03871	0.4
145.04926	1.8
147.04388	0.8
160.03938	0.4
163.03958	0.4
175.97974	0.3
178.04968	57.9
179.05348	0.7
186.02785	0.3
206.04457	100.0
207.04811	1.1
288.84967	0.4
365.10553	0.4
366.10867	0.4
368.09433	1.4
500.14328	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
61.47778	0.2
69.03393	0.3
69.99181	1.4
70.06592	1.8
70.19615	0.2
72.08143	0.7
81.03396	0.3
84.08121	0.9
85.02873	0.4
86.09670	1.1
99.96875	0.3
105.07021	0.3
109.02876	0.4
115.05425	1.4
120.08070	0.8
128.06206	4.7
129.07016	0.4
129.10207	0.4
131.04897	0.4
137.05943	0.4
141.06990	2.6
145.06487	0.5
156.05698	3.1
159.02858	0.3
161.06000	0.3
168.05699	0.5
169.06450	0.3
171.08070	1.2
174.06709	0.7
175.07552	0.3
184.05182	14.3
185.05594	0.5
187.07446	0.5
188.08327	0.3
189.09010	0.4
199.07521	100.0
200.07867	2.2
217.08566	6.7
217.10559	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33688	0.6
53.03913	0.9
57.03410	1.4
61.02874	2.0
69.03431	6.0
70.06590	3.8
70.68713	2.1
71.04948	1.0
71.06891	0.8
72.08120	1.6
73.02886	1.5
76.03954	2.7
79.05445	2.4
80.28468	0.6
81.03364	2.6
82.35815	0.6
83.01346	0.6
84.04452	0.9
84.08130	1.5
85.02892	6.5
86.09711	3.4
87.04420	1.3
90.82360	0.7
91.05472	5.0
97.02888	4.4
99.04385	1.2
106.05900	1.0
106.06544	16.0
107.04928	4.2
109.02834	2.2
115.05392	2.3
116.04950	0.8
117.05702	1.8
117.06964	1.6
118.06528	19.7
121.96001	0.6
127.03875	1.7
130.06512	14.1
132.06796	2.6
132.08040	3.9
133.07602	50.4
134.06023	3.8
142.06480	3.9
143.07230	1.4
144.08073	10.2
145.07576	6.5
146.05992	43.5
151.08653	77.0
152.09009	0.8
157.07596	1.1
159.09137	4.2
160.07570	1.2
161.07121	3.2
169.07613	10.8
170.04541	1.3
170.05995	22.8
173.07048	2.2
175.85124	0.8
188.07053	46.8
189.07356	0.8
191.08191	3.5
203.08179	0.7
205.09560	1.0
209.09201	7.7
215.08128	4.7
230.09636	1.0
231.09248	1.1
257.10657	2.9
259.12289	1.0
303.11115	0.9
313.13922	3.3
320.13916	1.2
321.12262	1.9
338.14957	99.6
339.15320	1.8
377.13309	1.0
500.20239	100.0
501.20532	2.5
506.38779	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.3416
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72116	2.9
55.05503	8.0
57.03421	7.2
57.07065	3.0
67.05505	28.3
69.07057	10.8
70.66557	4.4
79.05478	10.2
81.07043	31.9
83.08598	8.3
90.62941	2.6
91.05485	9.8
93.07027	16.5
95.08587	24.7
97.10135	4.2
103.05489	3.1
105.07008	11.0
107.05985	2.6
107.08570	7.9
109.10143	10.8
119.08545	7.6
121.10114	9.3
122.03699	3.3
123.11698	5.7
129.06995	4.9
131.04933	13.4
131.08578	4.1
133.10120	5.3
135.11668	5.4
137.05959	100.0
143.08577	4.5
144.93056	3.0
147.11707	3.9
149.13257	4.0
151.07561	5.7
157.06480	8.2
158.07240	3.9
161.06026	4.4
161.13290	3.1
163.07510	7.6
169.06516	3.3
174.06691	3.6
175.07526	23.8
175.14862	3.4
177.09140	7.0
187.07527	13.1
189.09120	12.1
193.08617	3.3
197.09711	3.0
201.09114	16.8
203.10651	8.7
215.10724	4.1
215.17786	3.7
227.10693	3.7
241.12067	3.7
263.23541	3.7
285.18469	5.6
335.25818	11.3
337.27310	16.0
407.07733	3.3
417.28003	3.1
425.30423	29.7
463.32214	3.6
481.33362	4.7
499.34131	54.0
502.67810	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	499.3414
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	2.5
57.07063	10.1
67.05490	2.3
69.07071	8.5
70.33443	6.9
79.05468	3.0
81.07052	7.0
82.06696	1.4
84.23071	1.6
93.07060	3.6
95.08582	2.6
105.07024	3.6
107.08555	4.9
109.10135	2.6
119.08543	1.6
121.10132	2.9
123.11706	20.8
133.10155	3.0
135.04398	7.7
135.08044	4.5
135.11705	5.5
143.08597	1.8
145.10085	2.0
149.09619	3.6
151.03899	6.7
161.09642	4.0
163.02634	2.8
163.03880	25.1
171.08084	2.3
175.03978	1.7
175.07538	9.0
177.05455	3.0
181.04956	18.6
189.09035	9.1
191.07108	2.7
199.07539	2.5
205.08580	3.6
207.10208	2.7
217.08595	85.0
219.10150	100.0
223.09744	3.0
229.08534	1.9
235.09631	47.8
267.13812	3.2
271.13239	1.8
273.14844	6.4
275.16415	41.0
285.14798	17.9
289.14249	2.9
291.15878	43.0
319.40686	1.6
327.99194	1.3
339.19577	2.9
341.16995	2.9
341.21118	48.8
357.20572	70.0
359.22214	14.8
360.23041	1.7
375.21573	6.7
413.26675	4.0
418.43457	1.6
425.26712	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	499.326
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62606	4.8
53.03938	6.1
55.01855	5.9
55.05513	22.1
57.03431	28.7
57.07054	6.9
61.02924	64.4
64.14014	4.1
64.91865	4.4
67.05499	85.2
67.88869	4.2
69.03428	44.1
69.07066	26.6
71.01337	4.8
71.04967	8.7
71.08627	5.7
71.75928	7.8
73.02901	29.3
79.05485	28.4
81.03412	38.1
81.07042	76.3
81.44728	4.4
83.04994	4.8
83.08623	15.5
85.02896	68.3
85.06517	4.5
87.04478	6.0
91.03942	42.0
91.05469	17.9
91.77413	4.5
93.07028	26.6
95.08596	65.2
96.83222	4.8
97.02871	47.5
97.06533	7.9
97.10160	14.1
97.86224	4.9
98.21382	4.0
99.04443	16.3
101.02389	9.2
103.03931	15.7
105.07022	13.9
107.08584	14.3
109.02879	20.2
109.10139	29.0
110.22726	4.2
114.68095	4.5
115.03925	5.2
119.08575	11.8
121.10133	18.4
123.11705	16.5
127.03902	34.9
129.05447	6.3
133.10117	11.9
135.11700	10.6
145.04933	10.0
147.11673	8.1
147.53632	5.4
149.13235	6.2
156.20915	4.4
161.13232	10.3
167.57809	4.1
175.14786	5.5
183.06546	11.8
183.67343	4.2
196.89981	4.2
198.54832	4.1
201.07512	5.4
212.58209	4.5
245.22659	14.9
263.23718	20.5
299.78271	5.0
314.27567	6.4
337.27341	100.0
338.27200	5.5
407.27737	6.8
463.30173	4.6
499.32465	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	499.326
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	7.9
53.58989	2.0
55.01862	8.0
55.05504	28.7
57.03433	24.3
57.07064	8.6
61.02919	55.3
65.03951	3.5
67.05494	87.6
69.03420	46.7
69.07059	33.5
71.01345	8.6
71.04984	7.2
71.08606	2.6
73.02912	28.8
73.07191	1.8
79.05486	30.9
81.03410	26.2
81.07048	100.0
83.04972	6.4
83.08607	23.0
85.02895	64.0
85.06544	3.7
87.04478	3.2
91.03944	35.4
91.04478	2.8
91.05462	21.3
93.07027	32.8
93.58033	2.5
95.04973	7.4
95.08593	83.2
97.02881	54.5
97.03471	4.3
97.06534	6.1
97.10157	12.3
99.04456	8.5
99.08096	4.6
101.02377	11.2
103.03925	10.8
105.07022	21.9
107.08595	23.6
109.02843	12.6
109.10148	30.0
111.04427	3.6
111.08049	3.8
111.11674	4.5
115.03922	5.9
117.05495	3.4
117.07035	3.3
119.08576	17.2
121.06494	2.4
121.10129	17.8
123.08107	2.5
123.11696	18.0
125.09650	3.1
127.03893	26.0
127.93890	1.9
129.05475	6.4
129.06943	3.3
131.08586	6.5
133.10114	17.6
135.11684	13.0
137.09592	3.2
137.13242	5.7
142.44179	2.1
143.08647	2.8
145.04935	7.9
145.10107	4.0
147.11697	10.9
149.13228	10.2
151.11197	2.8
151.14832	5.9
159.06561	3.7
159.11641	3.8
161.13229	10.3
163.14793	7.6
171.06635	3.0
171.11717	3.0
175.14833	7.3
177.12651	2.4
177.16444	2.7
181.15868	2.5
183.06587	4.9
189.16383	3.7
201.07562	4.6
201.16594	2.7
224.46878	2.1
245.22617	13.3
261.22034	3.1
263.23721	22.1
278.47635	2.3
303.23047	2.8
305.24918	3.1
317.24573	3.2
319.26453	2.5
329.24677	3.0
337.27332	84.0
338.28018	2.7
347.25784	2.7
365.26831	3.1
371.25757	6.7
389.27054	3.3
391.28384	2.2
445.29468	4.6
463.30322	4.7
481.31473	5.9
499.32727	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	499.3261
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	9.7
55.01863	7.1
55.05508	32.8
56.34659	3.2
57.03427	34.5
57.07065	15.9
60.08160	20.2
60.71442	2.9
61.02917	74.9
61.08498	6.2
65.03944	4.3
67.05501	99.9
69.03421	43.5
69.07065	40.3
71.01339	6.1
71.04974	7.3
71.07374	6.4
71.08619	11.7
71.73750	4.8
73.02907	42.3
79.05492	38.1
81.03410	24.2
81.07048	100.0
83.04990	8.1
83.08602	29.6
85.02899	75.4
85.06532	4.4
86.09696	43.3
87.04502	4.1
87.10017	18.8
88.03997	8.1
88.10367	4.7
89.06038	4.7
91.03954	44.9
91.05471	30.1
93.07034	33.5
95.04964	4.5
95.08597	83.3
97.02887	66.7
97.06511	6.5
97.10159	14.8
98.98482	6.1
99.04439	15.9
101.02384	17.7
103.03918	9.8
104.10730	84.1
105.07017	21.5
105.10477	5.5
105.11062	32.3
106.11225	11.4
107.08593	18.6
107.11485	4.3
109.02871	11.9
109.10145	31.4
111.08028	3.9
115.03951	5.0
117.06964	3.6
119.08572	15.4
121.10132	15.1
123.11686	18.0
124.99979	20.1
125.09642	3.7
126.00398	3.8
127.00418	14.1
127.03899	28.3
129.05458	6.4
133.08582	4.4
133.10124	13.9
135.11665	11.8
137.13258	12.5
145.04927	9.2
147.11682	13.7
148.68994	3.3
149.13258	11.6
151.14763	5.3
152.31807	4.2
161.13300	8.1
163.14861	5.5
175.14799	11.2
183.06454	5.0
184.07332	66.3
185.07709	30.2
186.07741	41.8
187.08186	6.9
219.21074	3.9
237.16829	3.7
245.22636	10.8
263.23709	27.7
263.67892	3.8
302.17542	3.3
314.27521	5.5
337.23532	6.7
337.27335	95.2
365.26813	3.9
371.25815	4.4
481.33655	16.1
499.34271	38.3
528.80975	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	499.1209
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23988	0.8
65.59576	1.0
69.95541	1.0
70.06577	2.6
71.75240	1.5
84.08119	1.3
86.09707	1.2
91.05474	5.2
117.29131	0.8
137.05980	2.1
185.04239	1.6
196.17584	1.0
227.05318	3.4
251.06767	6.7
271.04202	10.0
319.09689	1.4
413.12082	7.0
455.13092	50.1
456.13223	1.5
476.68582	1.1
499.12057	100.0
500.12247	3.7
504.58661	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	1.5
55.01854	0.7
55.05277	0.4
55.05505	5.1
56.05012	1.1
57.03403	1.9
57.05804	0.6
59.04973	1.2
60.04467	0.5
61.02900	0.9
63.46362	0.5
68.99769	0.5
69.03423	8.2
70.06588	10.0
71.01343	0.6
71.04980	0.7
71.07364	0.6
71.75510	0.6
72.08147	45.7
73.02876	1.3
73.06496	0.5
73.08474	0.7
74.06048	0.7
79.05489	4.6
79.95656	0.4
81.03020	0.7
81.03413	6.9
82.06541	0.6
83.04951	0.8
84.04475	1.4
84.08138	3.0
85.02454	0.5
85.02901	6.6
86.09692	2.3
87.00803	2.6
87.05567	0.6
89.26791	0.4
91.05447	1.3
97.02886	2.8
99.04425	2.0
99.09185	1.6
100.07589	1.2
101.06009	2.7
103.05431	0.7
105.01842	0.8
106.05875	0.8
106.06546	11.4
107.04941	9.9
108.04428	0.7
109.02872	3.9
110.07128	0.8
116.04962	0.7
116.07079	0.6
117.05740	1.8
118.06525	5.0
118.07919	0.7
118.08643	7.0
120.08071	0.9
126.05482	0.6
127.03895	5.8
127.08697	0.5
129.01784	0.5
129.10239	2.3
130.06485	1.1
131.06046	4.3
132.06825	13.6
133.07610	4.7
134.05949	0.9
136.07527	1.1
144.07973	0.5
145.04915	1.4
145.07576	1.1
146.06012	0.9
146.09637	0.9
147.04303	0.4
159.02846	0.9
160.11206	6.0
170.09644	1.5
173.07031	0.5
187.06020	0.9
187.12296	35.6
188.10678	0.7
194.43712	0.5
203.03400	0.5
204.08681	0.5
205.13361	10.0
206.11734	2.0
214.89330	0.4
215.11809	0.6
229.15527	0.6
233.12859	7.8
251.13889	100.0
252.14262	2.2
259.64618	0.5
349.06985	0.7
379.08179	0.5
413.19116	5.0
455.20203	32.1
481.11346	1.3
481.18063	1.0
499.19177	49.2
500.19537	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.2308
Annotation	His Asn Ile Asp
Peak:m/z	Relative Intensity
50.72037	0.4
51.11383	0.4
58.42165	0.4
58.96541	0.4
60.59062	0.5
67.05477	0.6
67.69830	0.4
70.06581	1.6
71.13681	1.1
79.05508	0.6
81.07044	1.3
84.08144	0.8
86.09710	0.8
91.05463	0.8
99.23598	0.4
103.05421	0.5
105.07044	0.6
109.02856	0.7
110.11669	0.5
127.03927	0.9
133.39192	0.5
137.05978	1.3
149.13263	0.5
150.80086	0.5
187.13240	0.6
313.16534	3.1
317.84073	0.5
371.20270	0.5
408.82217	0.5
443.22641	0.8
471.21979	5.8
498.23093	100.0
499.23407	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	498.2906
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	5.4
57.03429	4.8
57.07064	0.9
61.02928	1.2
67.05497	27.6
67.34321	0.8
69.03421	1.1
69.07062	3.8
70.80786	1.4
71.04977	6.3
73.02908	0.9
79.05495	8.4
81.03410	2.9
81.07044	45.8
83.04963	1.3
83.08604	5.1
85.02892	3.8
85.06537	5.8
91.05465	7.3
93.07030	14.4
95.04946	1.4
95.08569	5.6
97.02918	1.4
97.06523	3.9
97.10173	1.0
99.08091	1.9
102.25933	0.9
103.03915	1.4
105.07015	2.7
107.08590	6.1
109.02870	2.0
109.10135	3.7
111.08085	1.4
117.07005	3.6
121.10140	3.7
123.11674	7.9
127.03923	1.6
131.08546	4.1
132.01212	0.9
133.10095	9.2
135.11688	2.6
149.13251	7.9
151.11177	4.2
159.11674	12.8
161.13248	3.0
169.12277	1.4
173.13203	1.1
177.12715	22.2
177.14168	1.7
178.13045	0.9
179.14273	11.9
187.13309	7.9
195.13750	2.6
210.71437	0.9
219.41516	0.9
233.15402	1.8
243.15900	46.2
251.16357	6.5
260.23123	1.0
260.25952	1.1
267.11420	1.0
269.17438	100.0
270.17953	1.7
273.73135	1.1
301.20059	10.8
313.11804	2.7
313.16397	7.1
336.59567	1.0
339.18085	1.1
371.20599	1.5
373.13931	13.0
393.88351	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.1584
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03420	1.1
70.06581	1.2
71.71863	1.3
74.57379	0.7
81.03411	0.9
84.08156	0.7
85.02895	1.4
96.55527	0.7
107.52585	0.7
110.59728	0.7
119.04958	1.0
147.04430	2.3
173.36302	0.9
174.05299	1.2
188.07130	1.0
193.37273	0.7
336.10413	8.4
347.09647	1.2
365.10779	1.4
498.15857	100.0
499.16086	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	497.3106
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58867	4.2
52.77673	5.2
53.03929	13.7
55.01859	11.2
55.05492	15.4
57.03440	38.9
57.07058	8.1
61.02917	45.4
67.05502	100.0
69.03424	46.6
69.07050	21.5
69.41761	4.6
71.01334	8.4
71.04986	8.6
71.15810	10.1
73.02906	23.8
79.05493	55.7
81.03419	45.8
81.07056	97.9
83.04996	8.0
83.08604	14.4
85.02900	60.1
85.06552	7.3
87.04485	6.0
91.03941	29.2
91.05467	34.3
93.07036	80.0
95.04935	14.8
95.08606	75.0
97.02882	54.2
97.06522	6.1
99.04434	21.5
101.02319	11.6
103.03914	23.9
105.07024	27.7
107.08575	35.5
109.02885	22.6
109.06506	7.2
109.10136	30.2
111.04431	5.2
115.03870	6.1
117.06991	7.1
119.08552	26.4
119.36482	5.3
121.10135	28.9
123.11655	17.1
125.02322	5.4
126.89175	5.0
127.03946	27.3
129.05508	5.1
131.08560	21.5
133.10109	11.9
135.11719	22.3
137.13281	4.5
145.04961	9.2
145.10068	11.9
147.11671	15.1
149.13232	10.4
157.10100	8.4
159.11684	15.5
161.13231	8.0
171.11636	5.8
173.13322	9.6
183.06537	5.2
201.07487	9.5
223.14629	5.8
243.21071	6.3
259.20581	6.3
261.22064	17.9
331.89612	5.1
335.25732	53.0
345.25012	6.4
351.23245	5.1
384.98071	5.3
405.26306	7.8
495.19714	5.2
497.30945	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	497.3104
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	8.1
55.01865	5.5
55.05505	25.2
57.03431	30.1
57.07053	3.7
61.02921	60.3
63.48926	1.9
65.03924	5.1
67.05500	100.0
69.03422	47.0
69.07061	25.2
70.84805	4.1
70.85176	4.0
71.01339	4.2
71.04984	8.2
73.02911	29.2
79.05023	2.3
79.05489	66.2
81.03416	24.1
81.07050	93.2
83.04971	8.8
83.08606	10.6
85.02901	64.6
87.04453	2.5
87.05344	1.9
89.42335	2.0
91.03948	33.4
91.05475	41.4
93.07040	57.5
95.04958	9.2
95.08598	67.9
97.02888	58.2
97.06530	4.7
97.10164	3.8
99.04465	11.4
99.88541	2.2
101.02357	11.5
103.03934	12.4
104.54194	1.9
105.04536	2.0
105.07025	28.9
107.04935	3.4
107.08586	39.3
109.02831	9.2
109.06531	5.3
109.10149	29.3
111.04432	4.6
111.08079	3.7
115.03949	4.5
115.05410	2.6
117.05522	4.6
117.07033	12.1
119.08575	26.7
121.06409	2.4
121.10129	31.7
123.08070	4.1
123.11693	15.4
125.09626	3.3
127.03897	22.4
129.05479	7.2
129.07002	5.3
131.08556	24.6
133.06502	3.6
133.10117	21.0
135.08148	2.7
135.11658	23.5
137.13246	5.6
139.11217	1.9
143.08588	4.7
145.04964	7.2
145.10130	17.3
147.11700	12.0
148.61789	1.9
149.09625	5.5
149.13246	12.1
157.10121	3.9
159.08066	2.0
159.11684	13.5
161.13225	9.8
163.14868	6.4
169.10112	2.7
171.11707	2.8
173.13245	9.9
175.11125	2.3
175.14767	3.9
177.12714	2.3
179.14351	2.9
183.06493	3.7
183.11644	3.3
185.13225	4.9
187.14839	6.2
201.07605	4.6
201.16264	3.1
206.80728	1.9
213.93826	2.1
243.21068	7.4
247.81421	2.0
261.22122	23.9
273.22101	2.5
277.21667	3.5
289.29730	1.9
291.23456	2.2
303.23120	2.8
321.23999	2.3
327.23370	2.7
333.24088	2.6
335.25769	64.8
351.23175	2.2
358.17554	1.8
363.25195	4.2
363.54205	2.5
369.24442	3.0
397.51483	2.2
443.27905	3.1
461.28650	4.1
479.30228	4.7
497.31262	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	497.2741
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	1.3
57.07057	2.4
67.05489	1.7
69.07046	2.0
69.07390	0.5
70.13141	2.5
70.13564	0.9
71.08614	2.1
79.05477	1.0
81.07032	2.2
83.08611	1.0
85.06512	1.9
91.05450	1.2
92.08430	0.5
93.07022	1.7
95.08600	4.7
95.14288	0.6
95.72031	0.6
96.08920	0.5
98.20759	0.6
99.08102	1.2
105.07011	1.2
107.08582	1.7
109.06506	12.4
109.10124	1.4
111.08066	1.1
111.11602	0.5
115.44936	0.6
115.51435	0.5
119.08569	1.6
121.10108	0.6
122.07288	0.9
123.08065	15.3
133.10101	0.7
135.08052	3.0
137.09529	0.9
145.10130	0.6
152.21037	0.5
161.13188	0.7
165.12740	0.6
167.14334	1.5
179.14291	78.5
180.14667	1.3
193.15875	2.0
205.15787	0.6
265.17886	0.6
303.23163	2.6
321.24216	100.0
322.24658	2.7
366.89267	0.6
429.59027	0.6
463.75632	0.5
479.26419	1.3
490.89609	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.1804
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58772	0.8
53.03917	1.1
54.98175	0.9
55.05493	1.1
56.05005	1.1
60.79740	0.8
69.07059	1.0
70.06575	4.1
71.18510	1.1
71.75134	1.1
72.08132	1.0
79.05467	3.3
81.07057	1.1
84.04519	1.0
84.08138	2.3
86.09675	2.9
91.05449	3.7
93.06964	0.9
94.04161	3.4
95.04933	1.3
100.11240	2.7
103.05434	2.1
107.04931	5.0
109.06497	2.5
111.04424	1.8
114.02155	0.9
114.09113	0.8
115.08618	0.9
117.03363	1.7
120.08117	1.3
121.06497	1.7
122.03630	8.5
129.10210	1.4
131.04924	2.6
133.02811	1.2
134.03625	1.9
135.04393	4.9
137.05954	100.0
146.03606	1.2
147.04382	1.6
149.05948	28.5
151.03885	6.5
151.07542	2.3
152.06200	3.2
153.05495	2.2
153.06972	1.7
157.06398	0.9
161.05952	6.9
163.03841	1.5
163.07544	1.4
165.05522	1.7
165.06911	3.6
167.07005	3.8
167.08339	0.9
168.05647	1.0
169.06473	3.0
175.07520	1.2
177.05446	43.3
180.05693	3.0
181.06425	1.7
182.07263	1.1
183.08044	1.3
187.07556	3.2
189.06975	1.5
191.05028	1.7
195.08073	2.3
196.05186	2.1
197.05928	5.1
199.07588	1.7
206.00215	1.1
208.05110	4.8
209.05904	1.8
210.06741	1.9
211.07503	7.3
212.08287	3.1
213.05423	1.2
217.06493	1.4
221.05981	1.0
222.06767	1.5
223.07581	2.7
225.05444	5.3
225.08928	1.2
227.06956	1.9
233.05894	1.1
234.06760	3.5
235.07315	0.9
236.04596	4.9
237.05438	1.2
237.09123	1.6
239.06981	3.1
240.07813	7.4
241.08379	1.3
249.09103	2.6
250.06310	1.0
251.06967	4.5
253.04935	3.1
253.08453	1.6
255.06471	1.5
257.08200	1.0
259.09668	1.9
262.06161	2.1
264.07742	1.2
265.08682	3.0
268.07205	5.1
271.09628	4.4
273.11237	1.1
277.08551	8.0
279.06473	2.8
283.09641	4.6
285.11249	2.7
295.09619	2.5
296.10434	1.3
297.11188	2.8
299.08997	6.5
309.11203	2.9
311.09070	21.9
313.10754	3.0
315.08472	7.9
325.10727	1.7
329.10159	8.0
337.10956	1.2
341.11557	2.1
357.11023	1.3
358.12091	1.4
369.10947	2.3
373.14438	1.1
401.13736	5.6
411.12137	1.6
421.16452	5.5
429.12909	2.1
431.14456	1.1
433.16446	33.5
449.15857	3.7
451.17392	2.4
461.16006	3.8
479.16742	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03913	0.7
56.04995	1.4
57.03386	0.7
58.42351	0.6
58.88646	0.7
60.04497	0.9
68.04996	1.2
69.03422	3.8
70.06584	67.5
70.07137	1.9
71.04967	0.7
71.06848	0.8
71.75189	1.1
72.08109	2.4
74.06045	0.9
79.05444	2.5
81.03403	3.9
84.04459	2.1
84.08150	4.1
85.02898	4.1
86.09703	4.7
87.00797	0.7
91.05457	1.4
97.02850	2.5
97.07637	6.3
97.11535	0.6
97.44241	0.6
99.04399	1.1
102.05560	0.8
107.04924	4.6
109.02827	2.3
110.07150	3.5
115.21731	0.8
116.04924	1.1
116.07083	23.0
116.80568	0.6
117.05708	1.7
118.06490	2.1
120.08070	1.4
124.53905	0.6
127.03894	2.6
129.10161	2.0
130.06448	1.9
131.04858	1.1
134.05917	0.6
136.07533	2.0
137.05901	1.5
143.08142	4.5
144.07993	0.7
156.07819	1.0
157.07632	3.1
163.07530	1.1
168.08063	1.9
170.09502	0.8
171.09146	0.8
185.10718	39.0
201.12282	0.7
204.10187	19.2
213.10237	0.8
213.12349	0.6
215.01570	0.7
228.03099	0.8
231.11237	9.6
249.12321	100.0
250.12663	1.5
411.17612	17.8
412.17709	0.7
415.47745	0.7
453.18637	33.4
479.16656	3.9
497.17673	56.9
498.18188	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.1133
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	10.7
55.01872	11.0
57.03441	8.5
67.05504	7.5
68.99784	9.4
69.03421	50.2
69.78429	8.4
69.78841	29.8
70.06581	30.8
71.04977	5.7
71.26728	3.9
72.08163	11.2
73.02908	5.8
81.03410	59.7
81.23162	3.9
83.04971	9.0
84.04485	5.3
84.08133	9.5
85.02898	100.0
86.09689	13.1
87.00814	31.4
91.05474	14.3
95.04948	9.5
97.02875	36.5
98.21446	6.2
99.04453	15.0
101.02372	6.0
103.03949	7.9
105.01834	27.3
109.02872	51.5
110.07163	11.4
111.04441	10.6
120.08133	9.3
123.04427	9.6
125.02358	7.2
127.03905	87.8
129.01839	4.9
129.10258	7.5
135.04381	5.8
136.07561	7.5
137.06015	8.0
145.04977	14.4
151.03894	16.1
159.02888	4.9
165.05569	5.7
169.04906	15.0
171.02907	6.4
187.06026	10.5
189.03966	21.1
193.04974	5.3
195.03041	5.9
213.03940	6.2
231.04973	18.3
255.04953	5.3
273.06000	37.5
274.06140	4.3
357.08447	6.0
443.07892	6.2
506.35593	5.2
520.23499	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.1058
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90582	4.0
56.96558	10.7
63.57929	3.3
65.64094	3.5
69.03427	4.5
69.07063	8.4
70.06583	44.3
71.75814	5.0
72.08149	13.9
74.06064	5.6
79.05493	4.3
81.03411	13.7
83.25623	2.9
84.04488	8.2
84.08119	16.7
84.96031	6.3
85.02882	9.0
86.09718	18.1
91.05444	4.4
94.86552	3.4
97.02869	4.3
98.97591	23.1
105.07030	16.4
110.07138	19.8
110.97590	6.7
116.07104	3.7
116.98606	17.4
120.08092	13.0
128.98595	12.8
129.10262	8.8
133.06480	19.4
134.99648	12.0
136.07550	5.0
137.05959	4.9
146.99649	15.3
156.07664	4.4
157.06082	4.5
158.99673	4.1
161.01227	6.0
161.05937	33.2
176.44650	3.3
177.00656	6.9
193.08606	16.8
219.01773	14.4
222.02036	5.6
228.03333	4.0
237.02744	28.0
238.05225	4.4
251.55542	3.5
252.03139	5.7
270.03983	8.2
309.06396	6.7
318.07666	4.5
327.07602	6.5
363.07321	8.1
400.72565	3.8
408.53131	3.8
411.09616	21.4
429.10651	24.9
453.11630	11.5
497.03281	5.8
497.10559	100.0
511.97366	4.8
518.87555	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	497.1059
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97998	1.6
56.96557	4.0
63.76141	1.6
69.03412	2.6
70.03052	10.3
70.06577	2.5
81.03415	2.0
82.91301	1.6
85.02905	9.1
88.85128	1.7
97.02890	2.7
98.97581	6.8
112.89603	6.6
116.98651	4.1
117.98777	1.8
119.01887	3.3
127.03905	3.9
128.98642	2.6
131.34842	1.6
145.04929	1.9
158.99675	2.7
161.01398	1.6
161.02869	3.7
170.99767	1.9
173.02895	2.9
177.00790	2.7
189.00877	2.1
201.00726	4.8
202.01024	2.7
203.05383	2.7
215.05090	5.5
219.01772	4.8
219.07191	2.9
220.02094	2.7
231.07161	1.7
232.04907	5.7
233.05278	3.1
237.02798	2.8
243.01874	3.7
245.05162	6.0
261.02795	5.3
262.03214	3.7
273.58203	2.5
277.08859	2.6
279.03851	4.3
280.04001	2.2
292.04233	1.9
305.07318	2.6
317.08398	3.3
321.04828	3.2
321.10373	14.3
322.05362	2.3
334.08136	1.8
335.08572	5.4
365.10419	10.3
369.86285	1.9
381.07901	3.8
421.03873	2.0
439.14212	12.4
470.20401	2.2
497.11557	100.0
498.10858	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	496.3394
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	0.2
56.05030	0.5
57.03409	0.2
57.07064	0.5
58.06622	0.5
60.08158	6.4
65.35146	0.1
67.05494	0.3
69.17783	0.2
70.06609	0.1
70.11523	0.5
71.07364	2.8
71.08621	0.3
81.07040	0.4
82.27119	0.1
85.10173	0.3
86.09697	30.5
87.10032	0.2
95.08603	0.3
98.21095	0.3
98.98454	2.8
104.10075	0.2
104.10732	3.1
109.10173	0.2
121.20106	0.1
124.99989	21.1
143.01033	0.4
166.02686	0.2
184.07323	100.0
185.07738	0.6
258.10950	0.3
290.94583	0.1
313.27213	0.3
478.32870	1.0
496.33997	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.3392
Annotation	PC(16:0/0:0)[U] / PC(16:0/0:0)[rac]
Peak:m/z	Relative Intensity
56.05025	1.2
56.55431	0.4
57.07075	3.0
58.06574	0.8
60.08160	16.0
67.05469	0.7
69.07078	0.7
69.76369	2.9
70.36158	0.4
71.07365	6.6
71.08618	1.8
81.05402	0.4
81.07019	0.5
81.50495	0.5
84.17937	0.5
85.10199	0.9
86.09698	47.3
87.10032	0.6
91.76334	0.4
95.08575	0.9
98.98447	2.9
104.10735	100.0
110.37384	0.4
124.99993	24.6
133.89034	0.4
163.01665	0.6
184.07332	99.9
251.02083	0.4
257.74832	0.5
258.10977	1.5
313.27417	2.1
333.57611	0.4
342.96124	0.4
372.74158	0.5
478.32977	9.2
496.33929	27.3
497.34378	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.2896
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	7.6
55.05500	13.0
57.03422	7.7
62.06083	100.0
67.05494	27.0
68.05852	5.2
69.03417	15.8
69.07049	14.7
70.06580	7.0
71.73203	6.4
72.08149	3.9
73.15433	3.4
77.16898	3.7
79.05481	27.3
80.95250	4.2
81.03403	12.3
81.07047	38.1
82.00111	3.9
82.07358	5.9
83.04989	7.1
83.08611	8.2
84.09523	3.7
85.02900	11.5
91.05468	37.9
93.07029	25.7
95.04973	11.6
95.08607	15.0
97.02927	4.8
97.06523	5.0
98.06051	9.7
105.07014	21.5
107.08577	18.3
109.02870	4.7
109.06507	4.2
109.10139	11.3
111.04469	4.5
115.05409	6.3
117.07009	17.2
119.04877	3.6
119.08575	16.3
121.06515	5.2
121.10136	10.7
123.08123	4.8
125.02327	7.1
128.07076	4.2
128.49275	3.6
129.06969	6.2
131.04883	4.9
131.08562	13.1
133.06496	8.8
133.10139	11.3
135.04361	5.4
135.08025	10.3
135.11691	4.8
139.03882	4.8
143.08513	9.0
145.06476	7.3
145.10110	8.6
147.11581	4.2
149.09737	3.8
149.13260	5.2
149.24214	3.9
151.03874	4.0
155.08556	10.0
157.10088	6.5
159.08043	7.3
159.11722	6.9
161.05945	7.4
161.09512	5.0
163.03912	19.7
163.11259	5.0
175.11050	4.9
177.05432	9.5
179.06960	5.0
181.04903	7.4
181.10019	4.2
183.11678	6.4
187.03935	4.6
189.05467	12.7
203.06931	6.1
212.39522	4.4
220.13364	4.5
227.07095	4.0
232.76280	4.1
235.13208	5.5
329.37451	4.3
363.19501	10.2
369.20584	17.4
381.20532	10.1
399.21887	4.5
406.23752	14.7
412.24738	56.0
424.24796	39.2
430.25818	42.1
442.25922	39.1
460.26825	24.0
478.28131	31.9
496.25552	8.3
496.29218	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	496.2751
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.4
55.01847	0.8
55.05508	1.3
57.03424	1.8
57.07061	1.5
58.10160	0.6
61.02921	2.5
65.03913	0.9
67.05497	3.2
69.03420	5.8
69.07059	2.3
70.06583	1.9
70.28391	0.6
71.04987	0.9
71.33605	1.2
72.08128	1.3
73.02924	1.4
78.61929	0.6
79.05479	7.4
81.03410	2.1
81.07048	100.0
83.08622	0.8
84.04501	0.7
84.08139	1.5
85.02897	41.8
86.09700	2.8
87.04461	0.9
91.03946	2.0
93.07054	0.8
95.04969	0.7
95.08600	17.3
97.02873	9.7
99.04454	1.0
100.11241	0.8
109.02880	2.5
127.03909	10.1
129.10269	1.0
131.05029	0.7
131.33408	0.6
137.05957	4.0
137.13245	23.9
145.04944	22.0
161.06006	0.7
163.05997	8.9
184.07314	1.7
210.14893	0.7
259.07462	1.0
286.26849	0.7
325.11392	1.8
412.75461	0.7
437.76059	0.7
453.37848	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1834
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	1.4
65.03918	0.5
66.57542	0.5
67.05488	1.6
67.29398	0.5
69.03406	1.4
69.07070	0.7
70.06583	4.2
71.04977	0.8
71.73020	0.5
72.08145	1.4
74.10066	0.5
77.18945	0.5
79.05473	1.1
81.03399	1.6
81.07034	2.9
83.04938	0.5
84.04500	0.5
84.08128	1.0
85.02895	1.8
86.09707	1.0
91.03931	0.5
91.05470	1.7
93.07040	1.7
95.04963	1.2
95.08586	2.0
97.02892	1.0
97.10163	0.6
105.07035	1.6
107.04986	0.8
107.08578	1.2
109.06509	0.9
109.10150	1.4
110.07091	0.7
113.05750	1.1
118.96984	0.5
119.08545	0.9
120.08096	1.0
121.10130	0.8
123.08034	0.6
123.11632	0.5
125.02353	1.2
125.09629	0.8
127.03915	0.7
130.05003	0.6
131.08530	0.5
133.10118	1.2
135.08017	0.8
135.11703	1.0
137.05925	0.7
137.09494	0.6
143.11737	0.6
145.10080	0.7
147.04480	0.7
147.11679	0.6
161.09514	0.7
165.09070	0.7
175.14781	0.6
257.09814	0.6
261.07333	5.1
275.11066	4.1
279.06326	0.9
315.11957	3.4
315.19366	0.6
333.12973	2.8
393.09613	0.8
423.12537	1.2
443.02948	0.5
495.18350	100.0
496.18481	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	495.2119
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05032	69.0
58.06599	7.7
61.58992	1.5
62.33480	1.6
66.60065	1.4
68.25957	1.7
68.61655	1.7
69.03433	2.1
70.02950	4.8
70.06583	6.9
70.09081	6.5
73.04026	1.9
74.06075	71.4
81.03419	1.7
82.02948	4.3
82.06570	5.8
84.04493	10.2
84.08138	4.4
85.02906	2.8
86.09699	20.2
88.03987	3.3
89.69502	1.5
91.05457	2.7
97.02851	2.0
97.04009	2.7
99.05564	4.8
100.03995	2.9
101.07140	6.4
102.05539	2.5
107.04895	1.7
108.04506	2.4
109.02891	1.9
110.06051	12.3
111.05573	6.6
116.07047	2.0
119.04938	2.7
120.08030	1.5
125.03481	3.2
125.07114	2.6
126.05479	3.1
127.08656	16.8
130.03229	3.4
130.04959	2.1
132.10185	9.1
136.03989	4.6
137.07030	2.6
138.05452	3.4
139.05017	6.5
143.04500	2.1
144.06552	4.7
147.04427	8.5
153.06586	20.6
154.04999	3.7
158.11723	2.3
167.07103	2.4
168.84729	1.8
169.13412	2.8
171.07648	5.8
175.11781	2.0
181.06068	28.0
183.07668	3.1
187.14394	2.1
188.97391	1.8
189.08702	2.4
191.08492	6.0
197.12836	3.7
198.08727	1.7
199.07149	36.5
211.07132	1.6
213.25778	1.7
215.13881	26.9
217.06421	15.7
217.08247	4.1
226.08307	2.6
227.06665	3.1
233.14931	14.5
233.28896	1.5
235.07465	1.8
238.08267	5.6
243.13399	3.1
245.05899	4.6
246.04254	2.2
254.87405	1.8
263.06955	100.0
264.09698	2.9
272.08810	2.5
282.10831	3.6
300.11972	10.4
302.08047	4.7
330.16760	2.5
340.15033	5.3
346.10583	11.2
358.16064	4.2
364.11737	33.6
365.12061	2.6
385.06549	1.9
413.20297	3.3
431.20889	6.1
443.37207	2.0
459.19104	4.2
475.65863	1.6
477.20377	11.8
495.15271	2.9
495.21170	7.7
517.48907	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1833
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44025	0.7
55.05509	1.6
57.03429	0.7
61.02917	1.0
65.49622	0.6
67.05508	3.0
68.24389	0.7
68.45147	0.7
69.03415	1.9
69.07069	1.0
70.06583	4.4
70.48388	0.7
71.04982	1.5
71.75471	0.9
72.08146	7.8
73.02905	0.8
74.46167	0.7
76.34953	0.6
76.54468	0.5
79.05482	2.0
80.05000	0.7
81.03413	1.8
81.07056	4.6
83.04990	0.6
84.08128	1.1
85.02901	2.3
85.06537	1.3
86.09698	1.2
91.05473	1.8
93.07027	2.5
95.04951	1.7
95.08601	3.7
97.02893	1.6
97.06479	0.6
98.09686	0.8
99.04414	1.4
105.07035	3.5
107.04959	1.7
107.08566	2.9
109.02863	1.5
109.06502	0.8
109.10133	2.0
109.64717	0.6
111.04429	0.6
113.05751	0.7
119.08553	2.2
120.08109	1.2
121.02764	0.6
121.10130	1.0
123.08063	1.1
127.03925	1.1
131.08562	1.0
133.10139	1.6
135.08078	0.7
135.11700	1.5
137.05933	1.3
141.12672	0.7
145.10095	1.3
149.13303	0.8
155.08583	0.7
157.10098	0.9
159.08099	0.7
165.09163	0.8
167.10579	0.6
171.07964	0.7
171.11734	0.8
172.74525	0.6
173.13251	0.8
177.09045	0.7
185.09613	1.0
215.14246	0.7
229.12128	1.1
247.13235	5.7
261.07318	2.3
275.10956	6.6
279.06348	0.6
315.19452	1.0
333.13040	1.3
346.08200	0.8
362.26794	1.3
380.27875	5.7
423.12662	2.0
424.30533	3.7
477.25491	1.0
478.12570	1.2
495.18347	100.0
495.37704	7.6
496.18579	3.5
511.71289	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1791
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.4
55.05505	0.6
57.03425	0.5
57.07023	0.3
57.51081	0.3
58.99570	1.1
60.04528	2.7
67.05495	1.8
69.03407	1.2
69.07049	1.3
70.06570	1.1
71.04979	0.5
71.52079	0.5
71.52422	0.4
72.08131	0.4
73.01135	0.6
79.05477	1.2
81.03393	0.7
81.07053	2.7
82.07374	0.5
83.04977	0.3
84.04467	0.4
85.01096	0.4
85.02896	2.3
86.99028	0.7
87.00852	0.3
87.02689	7.6
91.05469	1.3
93.07048	1.8
95.04980	0.7
95.08602	2.4
96.08920	0.4
97.02881	0.5
97.06531	0.6
99.04427	0.6
104.29309	0.3
105.01855	0.4
105.07023	1.3
106.81676	0.3
107.08568	1.5
109.02892	0.7
109.06512	0.7
109.10143	1.0
110.10435	0.6
111.04468	0.4
114.10275	0.3
116.01680	2.9
117.05743	0.7
119.08575	1.2
121.10136	1.0
123.08071	0.5
123.11695	0.9
127.03872	0.7
131.08588	0.5
132.08083	0.9
133.10121	1.6
134.09567	0.4
134.10489	0.7
135.11684	1.1
136.12013	0.6
137.09581	0.4
144.01147	0.7
145.10126	0.5
147.11658	0.5
149.09561	0.4
149.13257	1.0
151.07520	1.3
154.13060	0.3
158.06007	0.6
159.11673	0.5
160.07568	5.7
161.08330	3.3
162.09178	1.6
165.09119	0.5
172.07533	0.5
174.09183	1.1
175.14838	1.0
176.15192	1.1
185.08383	1.4
186.09123	1.0
188.07062	0.8
188.10687	0.6
189.07826	0.8
190.08641	0.5
191.10634	0.5
193.15889	1.3
194.16214	1.2
195.13797	0.5
200.10620	0.4
200.14345	0.9
202.08627	0.5
204.06554	3.5
205.07303	2.6
206.08124	1.3
211.16833	1.6
212.17245	2.7
214.12227	6.1
214.15691	0.4
216.06534	1.0
216.13823	18.4
218.08136	0.8
218.15530	0.7
228.10252	0.6
229.07396	0.7
230.08159	1.6
242.11711	1.5
242.15414	0.5
244.09683	0.4
244.13310	8.8
244.17094	0.5
248.11024	5.0
258.11295	2.8
258.14902	0.5
260.12802	25.7
261.13205	0.5
270.14932	1.0
272.16306	0.4
274.14539	0.6
276.10535	8.9
276.13818	0.8
286.14371	1.8
288.15912	0.9
292.10001	25.3
293.10434	0.5
302.12219	0.8
306.11618	1.1
316.15439	1.4
318.11588	1.4
320.13190	0.8
332.27924	1.7
333.28146	1.8
334.16458	1.2
348.12738	1.1
366.13751	1.2
375.13678	2.5
377.15305	1.0
401.15195	0.4
403.12943	0.5
405.14618	6.4
420.29678	0.3
421.14264	31.6
422.14478	0.6
431.16418	0.7
435.15747	2.4
447.16211	1.5
449.17053	0.7
477.17047	2.8
495.17932	100.0
496.18268	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	494.3474
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07079	6.1
58.06578	2.7
65.03931	2.9
69.90881	1.3
69.91287	3.3
70.06589	16.7
71.08617	2.6
85.10175	1.3
86.09675	0.9
88.07119	1.0
88.07626	18.2
98.20724	0.7
102.08573	1.0
102.09189	10.6
103.24580	0.7
111.47022	0.7
121.02802	0.8
131.16437	0.7
139.03889	2.0
140.75191	0.8
149.02339	50.3
149.03407	3.0
150.02661	1.2
163.03931	0.8
193.04955	54.0
220.95656	0.7
237.07564	55.0
238.07938	0.8
240.26854	1.0
284.29462	39.9
285.29855	1.8
328.32162	2.1
335.18695	0.7
494.34750	100.0
495.35071	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.179
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	1.4
58.99569	0.8
67.05491	1.8
68.05791	0.4
69.03429	1.0
69.07063	1.3
69.85733	0.7
69.86131	2.7
70.06575	1.0
72.08165	0.8
79.05492	1.7
81.03432	0.7
81.07037	2.4
83.08608	0.9
84.08136	0.9
85.02894	0.9
86.09711	0.6
87.02686	8.7
91.05480	1.5
93.07022	1.4
95.08599	2.4
97.02876	0.5
97.06522	0.8
98.06008	0.4
105.07030	1.6
107.08600	1.7
109.02884	1.3
109.06520	0.5
109.10129	1.3
111.04445	0.6
116.01680	1.5
116.29377	0.4
119.08599	1.5
120.08157	0.6
121.06471	0.4
121.10125	1.3
123.11713	0.5
127.03904	0.6
131.08568	0.5
132.08081	0.7
133.08716	0.5
133.10103	1.3
135.08069	0.8
135.11644	0.7
136.07486	0.5
137.06012	0.8
137.09628	0.7
145.10110	0.9
147.04330	0.5
147.11688	0.4
148.07523	0.4
149.09630	0.5
149.13251	1.0
151.07597	0.5
155.14301	0.5
159.11705	0.7
160.07570	5.0
161.08372	3.3
162.09128	1.9
165.09071	1.9
171.11705	0.5
171.35762	0.4
174.09119	1.6
175.14856	0.6
180.76918	0.4
185.08336	1.6
186.05530	0.5
186.09186	1.3
188.07072	0.6
188.10655	0.7
189.07858	0.6
194.16225	0.4
199.09895	0.4
200.14301	0.6
204.06587	3.4
205.07266	2.4
206.08151	1.7
214.08768	0.7
214.12245	6.1
216.06580	0.5
216.13818	15.2
218.08197	1.0
229.07347	0.8
230.08093	1.2
231.09013	0.6
232.11598	0.6
240.10564	0.4
242.11714	1.5
244.09705	0.7
244.13329	6.7
244.17068	0.5
248.11000	6.6
250.12463	0.6
256.09698	0.5
258.07581	0.8
258.11292	3.1
260.12805	16.9
270.14856	0.7
274.14563	0.7
276.10516	10.1
276.13666	0.6
278.12061	0.9
286.14487	1.2
292.10007	28.2
293.10550	0.6
302.11978	0.5
304.13586	0.5
306.11661	0.8
316.15317	0.7
318.11584	1.4
320.13162	1.4
330.11847	0.5
334.16461	0.8
348.12698	1.8
359.14056	0.5
366.13776	1.3
375.13629	2.3
377.15411	1.4
403.13358	0.8
405.14505	5.9
421.14246	30.4
422.14554	1.0
435.15839	2.6
439.95117	0.4
447.15875	1.2
449.17313	0.5
477.16901	2.2
495.17950	100.0
496.18378	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	494.324
Annotation	Vinylamycin
Peak:m/z	Relative Intensity
55.05501	3.9
56.05013	1.3
60.08158	15.8
67.05497	1.4
69.07063	3.4
69.42326	16.3
70.06567	1.5
71.07351	5.6
79.05478	1.2
81.07030	1.8
83.08601	3.0
84.89674	1.2
86.09698	50.1
93.07044	2.7
95.08615	1.3
97.10172	1.5
98.20659	2.6
98.98468	4.1
104.10735	100.0
105.07010	1.3
105.63496	1.4
124.99994	25.1
160.89912	1.3
184.07330	90.6
202.24681	1.3
226.23239	1.3
247.84021	1.3
311.25760	2.4
366.93329	1.3
476.31168	9.7
494.32352	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	494.3236
Annotation	Vinylamycin
Peak:m/z	Relative Intensity
55.05493	1.8
56.05032	0.9
57.03420	0.5
57.07052	0.8
58.06600	1.3
60.08155	18.7
65.03931	0.5
67.05511	2.1
67.64072	0.4
69.07053	2.5
70.06097	1.9
70.06529	1.0
71.07359	7.4
71.08633	0.5
75.19284	0.5
79.05475	0.7
81.07035	1.4
83.08597	1.4
86.09694	54.0
88.07595	0.6
89.65081	0.5
93.07030	1.0
95.08585	1.4
97.10173	0.6
98.21085	1.4
98.98440	4.3
102.12079	0.4
104.10728	100.0
105.11035	0.5
105.22454	0.4
112.63093	0.4
117.49859	0.5
124.99986	27.8
135.11607	0.5
143.01035	0.6
149.02289	1.3
163.01523	0.8
184.07320	98.4
185.07571	0.6
193.04924	0.8
237.07552	0.7
258.10950	1.6
284.29422	0.5
311.25803	1.9
331.32904	0.5
417.23743	1.0
448.50531	0.5
476.31342	8.0
494.32370	22.2
495.32346	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.3239
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54144	0.2
54.62124	0.2
55.05503	0.5
56.05017	0.6
57.03435	0.2
57.07059	0.3
58.06625	0.7
60.08157	7.0
67.05489	0.4
69.07063	0.5
70.06588	0.7
71.07362	3.2
71.15060	0.4
79.05505	0.2
81.07028	0.2
83.08603	0.3
86.09696	33.3
86.99527	0.2
87.10037	0.2
88.07626	0.7
95.08591	0.2
97.10142	0.3
98.98452	3.2
102.09177	0.7
104.10731	3.1
107.08620	0.2
121.10123	0.2
124.99988	22.5
126.00330	0.2
143.01036	0.3
149.02335	1.5
166.02609	0.3
184.07321	100.0
185.07628	0.5
191.95131	0.2
193.04955	1.7
230.17749	0.2
237.07547	1.9
284.29456	1.8
308.65533	0.2
311.25851	0.2
444.23386	0.2
476.31329	0.8
494.34549	3.9
509.07617	0.2
512.46216	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.3237
Annotation	Vinylamycin
Peak:m/z	Relative Intensity
53.55190	1.5
55.05492	2.6
56.05018	1.7
56.97593	1.2
60.08155	16.5
67.05490	3.2
69.07040	3.0
70.06578	3.0
71.07363	6.9
71.08590	1.4
71.75629	2.4
72.81579	1.5
79.05485	2.1
81.07033	4.7
84.73072	1.3
86.09695	47.0
88.07621	1.6
93.07030	2.4
95.08604	4.1
98.98465	2.5
102.09133	2.2
104.10727	100.0
124.99983	27.5
136.06168	1.7
137.63824	1.5
138.00928	1.5
149.02319	6.3
184.07315	99.5
193.04959	4.8
237.07564	5.9
252.15710	1.3
258.26581	1.3
284.29523	4.2
285.98129	2.1
353.26782	3.4
383.36691	1.4
449.81531	1.5
476.31113	8.1
494.32513	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	494.2594
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30637	1.4
53.03939	3.8
55.05499	6.4
56.05033	2.1
57.03424	3.4
57.07053	2.0
59.05001	1.8
60.04222	3.0
60.04520	48.8
61.02925	2.5
67.05499	14.9
69.03423	11.0
69.07057	14.1
70.06601	8.3
71.04978	6.9
71.34324	3.2
72.08141	3.5
73.02910	3.4
74.06033	2.3
79.05473	8.7
81.03390	7.8
81.07050	23.0
83.08609	6.7
84.04491	2.4
84.08139	5.4
85.02895	30.3
85.06544	4.4
86.09693	4.8
87.00832	6.9
87.02671	5.8
91.05477	6.7
93.07029	20.3
95.04960	5.1
95.08601	29.6
97.02878	14.5
97.06512	9.0
99.04432	9.1
105.01839	8.4
105.07014	10.5
107.08586	19.4
107.15234	1.5
109.02852	6.3
109.06516	7.8
109.10143	25.6
111.08072	2.3
111.11705	2.9
115.07564	4.6
116.01684	1.6
117.06963	1.6
117.14902	1.4
119.04919	1.7
119.08579	18.4
120.08092	3.8
121.06496	1.9
121.10109	12.7
123.08051	7.1
123.11684	13.4
127.03894	14.0
127.11190	3.8
131.08504	2.3
133.10120	35.2
135.11679	27.8
137.06024	1.7
137.09605	9.3
139.11145	1.8
145.04947	3.2
147.11644	2.6
149.13208	8.7
151.03883	2.2
151.07545	3.6
151.11111	1.5
153.12727	3.9
155.10609	2.2
159.02927	1.8
160.07547	4.0
161.05867	1.7
161.08371	2.4
161.09644	1.9
161.13187	1.9
164.68924	1.5
165.09152	7.9
165.12758	3.7
175.14818	55.2
177.16350	5.2
179.48302	1.6
183.29941	1.5
193.15863	66.6
204.06674	2.5
205.07353	2.7
206.08183	2.0
211.16913	100.0
214.12247	5.0
216.13805	13.1
231.05089	2.7
244.13286	7.8
248.11005	4.4
254.24788	6.3
260.12836	19.1
260.23663	1.8
272.20035	1.9
276.10489	6.0
278.24738	3.1
291.07169	1.7
292.10010	21.2
296.25851	4.6
304.26733	1.6
314.26959	9.0
318.11490	2.4
332.11374	2.0
332.27905	52.0
375.13840	2.5
402.22723	2.2
405.14813	5.3
421.14172	21.5
476.32495	3.0
494.18546	1.8
494.33444	22.2
495.17917	65.1
497.56393	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.1654
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03439	15.0
70.06577	8.8
71.75595	9.0
78.25771	5.3
81.03425	10.6
85.02880	22.1
86.17342	6.1
87.00823	10.8
91.05472	100.0
97.02873	36.4
99.04445	7.8
100.71292	5.7
105.01857	14.3
109.02891	9.6
114.77809	6.0
121.06492	22.3
127.03914	25.9
131.04895	5.9
137.06000	13.7
145.04941	15.8
145.07576	6.2
159.02843	9.8
165.09077	14.4
223.83575	6.1
382.94193	6.1
432.15497	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	494.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.6
54.92930	1.2
55.01862	2.2
56.05016	1.9
61.02910	2.2
62.10103	1.2
63.53514	1.2
69.03411	8.8
70.06600	7.1
70.91218	1.1
71.75271	1.5
72.08137	2.1
73.02897	1.8
81.03407	7.5
84.04485	1.9
84.08159	2.6
85.02888	17.5
86.09671	2.6
87.00825	7.5
91.05442	1.7
95.04980	1.4
97.02882	6.3
99.04436	2.8
103.05341	1.3
105.01831	6.3
105.07018	2.0
109.02857	5.8
116.07112	1.9
120.08057	2.9
121.06522	2.0
123.04459	1.9
127.03891	12.3
129.10210	2.4
136.07622	1.3
137.05952	3.9
141.06558	1.3
145.04941	5.5
145.06381	2.1
159.02855	4.8
161.05991	2.0
167.07022	100.0
168.07497	1.2
173.05902	1.7
179.06995	1.6
181.08601	5.2
193.08539	4.8
205.08597	2.3
207.10133	2.7
211.09624	21.4
221.08212	1.8
229.10667	14.0
231.04832	1.4
237.95241	1.3
239.09113	2.7
253.10683	3.9
259.09692	2.2
277.10718	1.9
286.99634	1.2
295.11676	3.5
301.10898	1.4
319.11722	5.0
337.12918	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	493.2922
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	1.2
54.63020	0.8
55.01855	0.8
55.05507	22.9
56.88750	0.8
57.03430	12.8
57.07069	7.3
67.05497	18.6
69.06689	1.6
69.07062	25.3
69.54613	7.9
71.04968	0.9
71.08628	4.4
79.05480	9.7
81.07048	20.5
83.08614	19.8
83.58515	0.8
85.06525	0.8
85.10168	2.0
91.05454	1.9
93.07030	8.9
95.04967	0.9
95.08599	22.1
95.09200	1.4
97.06510	2.7
97.10154	10.7
98.20692	2.0
98.98458	56.9
99.08084	1.4
105.07005	1.2
107.08582	7.8
109.10136	8.1
111.08095	2.2
111.11692	2.2
116.99490	1.0
121.10125	9.6
123.11671	3.3
125.09596	0.9
133.49231	0.9
135.11699	7.4
136.99974	3.9
137.13255	0.8
139.11198	1.1
140.01071	1.1
149.13200	4.1
155.01028	53.5
163.14856	1.2
169.39281	0.8
211.03639	3.2
229.04643	3.2
247.24174	4.1
265.25223	8.6
339.28928	100.0
340.29166	3.5
383.56763	0.9
475.28152	13.1
493.29672	1.7
493.38925	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.3367
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46478	1.8
55.05497	8.1
57.03420	5.5
57.07071	55.1
61.02903	2.5
67.05500	17.8
69.07066	13.1
69.82767	5.7
69.83195	8.1
71.08625	43.7
75.04446	5.9
79.05479	3.4
81.06696	1.8
81.07057	23.3
83.08618	16.8
85.10179	22.3
91.03995	2.0
93.07018	2.6
95.08600	37.0
97.02870	2.0
97.10159	7.9
103.07607	2.1
107.08566	2.0
109.10159	15.3
111.11699	3.3
118.71989	2.0
123.11691	7.1
137.13211	3.8
137.18944	2.0
141.27551	1.9
149.01169	2.6
163.14848	1.7
178.20609	1.8
221.22519	3.9
239.23686	43.3
257.24689	4.1
275.86383	2.2
313.27325	100.0
314.27612	2.1
321.29739	2.6
331.28510	3.8
347.17191	8.2
367.68478	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	493.2751
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	3.1
55.05503	7.1
57.03423	2.9
57.07057	1.8
61.02918	2.0
65.03907	1.3
66.83831	1.1
67.05497	33.1
69.03415	4.4
69.07061	9.8
70.02954	2.4
70.06567	3.1
71.04971	2.5
71.14162	1.5
71.14497	2.5
72.04496	5.2
73.02922	1.8
79.05482	24.1
81.03412	6.8
81.07046	50.2
82.06573	1.5
83.04989	3.1
83.08610	9.8
84.04502	1.4
84.08155	1.6
85.02888	7.6
85.06519	4.2
86.09681	3.1
88.83043	1.1
91.05466	16.6
93.07033	44.0
95.04955	4.8
95.08597	9.1
97.02876	4.4
97.06519	4.6
99.04401	1.8
99.08080	2.1
103.05430	2.7
105.07020	6.0
107.04921	2.2
107.08583	27.4
108.04434	2.7
109.02823	2.0
109.06536	2.9
109.10179	1.9
111.08059	3.8
113.27963	1.1
115.05412	1.2
117.06974	7.3
119.08572	1.6
120.04441	2.2
120.08083	1.9
121.06482	2.4
121.10118	12.0
122.03644	3.0
123.11681	12.4
127.03890	5.1
131.04865	1.9
131.08591	7.5
133.10127	13.6
135.11691	7.0
136.07430	1.4
137.05956	24.9
145.04887	1.4
145.10075	4.4
147.11577	1.8
148.07523	1.9
149.05919	1.6
149.13234	31.6
151.07507	9.0
154.61769	1.2
158.09625	2.4
159.11674	19.8
163.07535	3.2
163.11140	2.4
165.07002	1.2
166.01312	1.5
166.30185	1.1
167.06999	1.4
167.14261	1.6
169.10054	2.2
170.25967	1.2
175.07507	1.5
177.12723	9.2
186.12747	3.9
190.02457	1.2
195.07962	1.5
195.13779	35.4
200.42389	1.2
204.13824	6.6
213.14799	5.2
213.65660	1.2
218.15295	1.4
221.05713	1.3
222.14857	16.0
228.13737	1.6
240.15916	60.1
241.15982	1.4
246.14886	13.0
264.15912	6.7
269.17526	2.5
285.11081	1.6
287.12747	3.1
296.18515	35.8
306.17032	2.2
308.38989	1.5
314.19586	5.3
314.25610	1.5
330.16959	1.3
339.17996	3.6
348.18021	10.3
356.86710	1.2
366.19119	35.3
384.20123	100.0
385.20337	1.4
409.97702	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2406
Annotation	Unknow
Peak:m/z	Relative Intensity
63.93988	1.1
71.75130	1.4
86.14495	1.0
152.74603	1.0
189.12503	1.0
193.04912	1.1
205.12160	1.0
206.56697	0.9
212.98810	0.9
250.17807	1.2
269.12512	0.9
317.19537	1.4
319.22437	7.3
335.20569	1.9
337.22202	1.9
432.84402	1.0
433.21167	2.8
451.21378	1.1
475.22998	7.9
493.24048	100.0
494.24411	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2324
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	2.3
56.04758	3.1
56.05031	59.6
57.03429	2.4
58.06599	16.7
61.01146	40.9
62.37947	1.6
67.05486	4.3
69.03425	19.0
69.07060	1.8
69.40350	11.5
69.40759	4.5
70.02935	3.6
70.06576	5.4
72.08147	4.8
74.06075	64.3
79.05495	2.2
81.03398	1.6
81.07040	2.8
82.06578	3.3
84.04498	19.1
84.08125	1.9
85.02915	1.6
85.03995	1.6
86.09702	90.6
88.03983	12.7
88.76012	2.0
89.45374	1.9
91.05471	2.7
93.07022	3.7
95.04946	2.5
95.08587	2.2
95.82977	1.6
99.05518	1.9
100.07615	2.1
101.07093	2.5
102.16825	1.6
104.05321	75.7
105.07019	1.8
107.08546	1.7
108.04449	7.9
109.10138	1.8
110.06027	5.7
111.05488	1.9
112.11246	1.7
114.10300	2.9
116.07053	1.9
119.08616	2.0
121.06503	1.9
125.07088	5.0
126.05498	22.1
127.05009	2.7
127.08691	4.0
130.04985	2.6
130.06808	2.2
135.04419	2.6
136.03888	2.2
137.02333	8.8
141.13850	3.8
142.12183	1.8
143.11841	2.3
144.06549	12.9
144.10115	2.0
145.06091	2.2
146.11748	100.0
151.07541	1.6
153.06601	3.9
154.04944	2.3
154.08606	2.3
156.04803	6.7
161.02351	1.8
169.13342	9.1
171.07645	4.6
172.13339	4.1
174.05832	19.1
175.09027	1.8
187.14417	11.2
189.08662	7.0
197.12849	7.4
197.60214	1.5
199.07123	2.4
201.06927	24.5
201.30417	1.5
202.05388	5.9
203.03374	3.4
205.04898	2.2
215.03355	3.9
215.13908	3.9
217.08177	13.1
219.07996	18.1
229.15462	50.8
229.17757	2.8
247.07471	54.9
247.16525	74.3
284.16080	2.2
285.08801	2.1
286.08511	2.4
295.06177	3.7
298.17581	2.0
302.11621	3.2
304.09503	2.6
311.05405	6.1
313.07028	15.0
320.12766	2.6
322.08380	2.0
323.05484	4.0
324.06067	2.2
325.07004	5.7
330.11090	8.5
331.08456	13.4
333.07425	1.6
335.05371	2.8
337.07074	7.5
341.06458	3.5
344.18176	15.0
348.12207	24.1
349.07153	8.3
350.07858	2.8
351.08633	3.4
353.06439	1.9
362.19193	4.5
363.08298	2.0
365.06686	3.0
371.17426	2.1
372.17416	1.6
377.06467	7.8
379.07852	3.4
389.06281	2.7
391.08185	4.9
392.08609	1.8
407.07724	7.9
409.09061	7.4
415.19995	3.9
421.09222	8.2
429.09637	6.6
431.07806	2.0
433.09262	3.8
447.10486	5.0
457.09198	4.1
457.20703	4.2
475.10150	25.9
475.22241	4.7
476.10419	2.8
493.11115	37.4
494.11612	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	493.2222
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90586	0.5
51.02368	0.7
53.03926	0.7
53.95376	0.5
54.87442	0.5
55.01872	0.7
55.05483	0.6
55.44988	0.4
59.74196	0.5
63.62070	0.4
65.03915	1.0
66.04690	0.6
67.05463	0.9
67.89959	0.5
70.06573	1.6
71.75220	0.8
72.08160	0.9
79.05468	1.5
81.07047	1.1
84.08134	1.2
86.09687	1.8
91.05464	7.9
93.06997	0.5
94.04176	4.3
95.04948	2.1
103.05463	5.8
105.07033	2.9
107.04936	1.7
109.06520	1.8
111.04379	0.6
115.05428	1.5
117.07019	0.9
119.04927	4.4
119.08572	0.5
120.08106	0.7
121.06478	1.9
122.03644	9.9
123.04398	0.8
128.06200	0.7
129.06973	2.0
129.10281	0.7
131.04912	8.0
131.08553	0.7
133.06483	2.5
135.08041	2.2
136.05148	1.0
137.05960	100.0
138.06299	4.0
139.06380	0.8
141.06987	1.0
145.06465	1.6
146.03545	0.8
147.04419	0.6
149.05969	3.8
151.03954	0.6
151.07527	23.5
152.06146	1.0
152.07948	0.9
154.92165	0.5
157.06467	0.9
160.05237	0.9
161.05933	4.0
163.06200	1.0
163.07532	15.5
164.07977	1.0
165.06969	3.0
165.09109	2.1
166.07767	1.1
167.07135	0.9
167.08525	4.7
174.06723	1.8
175.07558	2.7
177.07133	0.7
177.09029	1.3
179.08498	0.7
181.06464	0.9
182.07234	0.9
187.07521	2.4
189.09108	4.3
190.07703	0.7
191.08670	0.6
193.06500	2.2
195.08032	5.9
201.09088	1.7
203.08490	0.8
203.10417	0.6
207.08076	0.6
209.09581	0.9
210.06737	1.8
211.07527	1.4
212.08316	0.5
213.09125	0.6
219.08046	1.4
220.08379	0.6
221.06017	3.9
221.09538	0.9
223.07413	3.1
224.08217	1.4
225.09036	1.9
227.07098	1.3
227.10669	6.2
233.09654	0.6
235.07562	0.7
237.09044	1.4
238.06126	0.8
240.07793	0.6
249.09091	0.8
251.10608	1.8
253.08577	2.5
255.10179	6.7
265.08392	0.6
267.10178	2.6
285.11209	5.8
287.09482	0.8
287.12726	14.8
288.13239	0.7
291.10120	0.6
291.13657	0.8
297.11285	0.6
303.53922	0.5
305.11743	1.0
307.09366	0.6
313.14377	2.8
319.12814	0.6
324.13275	1.1
325.13916	0.9
337.14169	0.7
351.16006	3.2
389.86319	0.6
415.18774	3.0
443.18481	1.6
458.31073	0.6
475.20947	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2221
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.7
55.01865	0.8
55.05495	0.4
57.03424	0.6
64.53801	0.4
65.03922	1.3
66.04704	0.9
67.05504	2.5
69.03385	0.5
69.07053	1.0
70.06574	1.5
71.40833	0.8
72.04502	0.4
72.89327	0.4
79.05486	2.7
81.03413	0.6
81.07048	4.2
83.08603	0.6
84.04492	0.4
84.08142	0.9
85.06516	0.4
86.09703	0.8
91.05474	9.3
93.07043	2.9
94.04178	4.2
95.04959	2.3
95.08587	1.0
97.06560	0.4
103.05463	5.6
105.07011	2.1
107.04929	1.4
107.08569	1.2
109.06514	1.3
111.04433	0.5
111.06342	0.4
115.05425	1.0
115.54261	0.4
117.07029	1.3
119.04929	3.6
121.06496	2.3
121.10113	0.8
122.03635	10.0
123.04424	0.9
123.08026	0.6
123.11693	0.9
128.06206	0.9
129.06976	1.5
131.04921	8.0
131.08572	1.0
133.06487	2.0
133.10129	0.5
135.04343	0.7
135.08018	2.4
135.11647	0.8
136.05182	1.3
137.05965	100.0
138.06285	1.0
139.07507	0.5
141.07008	0.8
145.06470	2.1
146.03613	0.6
147.04453	0.6
149.05971	3.5
149.13240	1.8
151.07529	24.3
152.06149	1.2
152.07854	0.7
153.06955	0.7
157.06464	1.7
159.08041	1.3
159.11674	1.0
161.05948	3.8
163.07524	15.9
165.06981	3.5
165.09079	1.7
166.07703	0.8
167.07184	0.8
167.08527	3.8
169.06448	0.9
174.06760	1.3
175.07565	4.0
177.06999	0.5
177.09116	1.1
177.12723	0.8
179.08516	0.6
181.06470	1.9
182.07220	1.3
183.07936	0.6
186.06979	0.5
187.07550	1.7
189.09088	4.2
190.07773	0.6
191.08609	0.8
191.10547	0.4
193.06419	1.7
194.07179	0.8
195.08029	6.3
195.13841	2.0
196.08728	0.6
197.05963	1.0
197.09590	0.6
199.07516	0.8
199.87906	0.5
201.09111	1.2
203.10686	0.5
204.13882	0.5
207.07913	0.5
209.06050	0.6
209.09619	1.4
210.06792	2.4
211.07462	0.7
212.08398	0.7
213.09077	1.1
219.08092	0.9
221.06010	2.7
221.09686	0.4
222.06593	0.5
222.14812	0.8
223.07564	2.4
224.08328	1.3
225.09042	2.2
227.07121	0.9
227.10637	7.1
233.09798	0.5
235.07503	0.9
237.09085	0.9
238.06274	1.4
239.07007	0.5
239.10500	0.6
240.07901	0.6
240.15953	3.9
247.07652	0.6
249.09081	0.7
251.10690	1.7
252.07840	1.3
253.08560	3.1
254.09201	0.5
255.10146	7.2
256.10773	0.5
263.10767	0.5
265.12244	0.4
267.10049	2.0
269.11649	0.5
269.17441	1.0
277.12143	0.7
279.10117	0.6
283.09656	0.5
285.11224	6.3
287.12778	14.7
288.13245	0.5
289.08698	0.6
291.13788	0.5
295.09644	0.5
296.18533	9.0
305.11740	1.2
307.12961	0.5
313.14294	2.2
314.19589	0.6
319.13309	0.8
325.14346	1.3
326.27295	0.4
337.14331	0.9
351.16016	3.2
369.17163	0.8
415.19177	2.6
443.18478	1.9
475.21140	1.0
475.27493	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2217
Annotation	Unknow
Peak:m/z	Relative Intensity
64.08154	0.5
65.03935	0.7
65.61791	0.5
69.90707	0.5
70.06560	0.6
70.88958	1.1
79.05482	1.3
81.07052	0.7
83.50961	0.5
86.09713	1.0
91.05473	7.6
94.04187	5.1
95.04961	2.5
103.05457	5.5
105.07001	2.5
107.04956	1.1
109.06482	1.5
115.05453	1.1
117.06944	0.7
119.04931	4.7
121.06474	2.2
122.03633	10.4
129.06995	1.2
131.04904	8.9
133.06461	2.3
135.08038	1.9
136.05185	0.7
137.05963	100.0
138.06299	1.9
141.06993	1.2
145.06470	1.6
149.05952	4.5
151.07526	23.1
152.06181	0.9
157.06467	1.5
158.07272	0.5
159.08015	0.7
161.05977	4.7
163.07521	12.6
164.08150	0.5
165.06952	3.4
165.09140	1.5
166.07874	0.9
167.07156	1.0
167.08533	4.3
169.06538	0.8
171.08051	0.7
174.06758	1.2
175.07545	3.8
177.06802	0.6
177.09160	0.9
181.06496	1.1
182.07269	1.3
186.06873	0.6
187.07516	1.8
189.09041	3.9
191.08531	0.6
193.06503	2.0
194.07239	0.8
195.08029	5.9
197.06047	0.6
201.09097	0.9
203.10654	0.9
207.08176	0.7
209.09550	0.7
209.63524	0.5
210.06700	1.7
212.08264	0.7
213.09076	0.7
221.05972	2.4
221.09686	0.9
223.07564	3.1
224.08310	1.6
225.09071	2.8
227.07031	0.6
227.10641	8.8
233.09595	0.6
235.07542	0.9
237.09267	0.9
238.06200	1.6
240.07852	0.8
249.08913	0.7
251.10616	1.0
252.07855	0.6
253.08537	2.7
255.10176	5.5
267.10074	3.4
269.11661	1.0
278.09360	0.5
279.10098	1.4
285.11176	6.1
287.12772	13.7
297.11246	0.8
305.11789	1.0
307.13272	0.6
313.14316	2.7
319.13312	0.6
325.14349	1.8
337.14508	1.0
351.15894	3.2
402.32141	0.6
415.18906	2.6
443.18472	2.4
475.21097	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1813
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	0.6
57.03416	0.8
59.76200	0.4
61.02887	1.5
67.05475	0.5
69.03439	2.6
69.11150	0.4
70.06592	2.7
70.31080	1.6
71.04968	0.7
72.08122	1.2
73.02886	0.5
79.05431	0.5
81.03379	1.2
81.07004	0.6
81.52529	0.4
84.04489	0.7
84.08107	0.8
85.02906	4.1
86.09708	2.0
87.04447	0.7
89.06007	0.6
90.94236	0.5
91.03908	0.9
91.05447	0.7
93.06998	0.4
95.08584	0.6
97.02850	1.7
98.21350	0.7
109.06484	0.6
111.28539	0.4
112.08667	0.4
119.08567	0.6
120.08020	1.6
120.79314	0.5
127.03886	1.5
130.10413	0.4
135.11693	0.6
137.02293	0.9
137.05907	0.6
145.04988	0.5
145.06406	0.4
147.04314	0.4
149.10709	0.9
195.02863	0.4
196.09933	1.0
197.10715	0.9
204.06506	0.4
210.11371	0.6
211.12286	1.5
224.09430	1.0
225.10240	2.2
226.10963	2.1
237.10231	0.6
238.11047	0.6
239.11777	35.3
240.12328	1.6
241.13420	0.8
243.11369	0.5
252.08852	0.5
253.09639	1.3
254.10530	1.4
266.10480	6.2
267.11264	48.7
268.11829	2.2
269.12704	0.7
271.10770	1.4
278.10367	0.4
285.12262	2.5
295.10754	39.3
296.11182	1.4
307.05978	0.5
313.11801	60.9
314.12512	2.0
331.12848	42.5
332.13171	1.3
373.07834	0.5
377.06638	0.6
379.08273	0.5
391.08084	0.8
409.09039	1.1
427.08444	0.6
457.09058	0.7
475.10406	2.0
475.16830	0.8
476.10449	0.5
493.18134	100.0
494.18536	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	492.3165
Annotation	Morusimic acid C
Peak:m/z	Relative Intensity
50.39668	2.2
53.03933	9.9
55.01855	9.0
55.05508	16.6
56.05035	12.2
57.03426	7.1
58.02947	3.6
58.06579	3.9
60.04518	5.0
61.01144	4.6
61.02921	6.6
62.24654	2.3
65.03930	4.2
67.05501	56.6
68.05019	5.4
69.03426	16.8
69.07053	19.5
70.06579	31.8
70.79411	8.4
71.04973	6.5
72.08139	7.2
74.06074	7.7
74.10988	2.3
79.05486	50.5
80.05016	7.3
81.03398	8.6
81.05777	3.8
81.06609	4.2
81.07050	57.8
82.06577	30.7
83.04974	7.4
83.08613	6.5
84.04522	4.4
84.08124	8.3
85.02889	34.1
85.06522	6.3
86.06043	7.3
86.09696	9.2
91.05464	43.0
93.05788	3.0
93.07041	43.7
94.06559	62.3
95.04946	11.8
95.07339	3.1
95.08591	41.9
96.08124	38.6
97.02870	14.6
97.06517	5.4
97.10182	3.9
97.19711	2.5
98.21365	2.5
99.08036	5.4
103.05440	4.2
104.05331	5.7
105.07021	29.5
106.06585	2.9
107.08591	28.7
108.08093	13.8
109.02849	6.8
109.06502	4.6
109.10147	22.2
111.08073	5.9
112.07643	5.9
117.07017	11.4
118.78175	2.6
119.08585	23.7
120.08102	9.7
121.02771	3.6
121.10131	27.6
122.09656	10.4
123.11684	3.9
124.07573	7.0
124.11234	5.7
125.09614	8.6
127.03904	8.3
129.06963	9.0
129.10222	2.8
131.08557	22.4
132.08054	3.6
133.10121	18.7
134.09641	10.3
135.08073	3.7
135.10707	2.3
135.11658	12.2
136.07527	5.1
136.11223	5.4
137.02298	4.3
137.05930	3.4
137.09573	5.3
138.12741	4.2
142.08617	12.2
143.08537	8.5
145.04890	3.1
145.10100	21.4
146.11746	8.8
147.11671	19.1
148.11191	8.4
149.09535	3.0
149.13234	6.3
151.11131	4.4
154.08609	25.4
155.08687	2.8
157.10075	4.3
159.11655	10.9
161.13223	8.3
162.12755	2.8
163.14810	2.8
165.09128	4.7
165.12650	4.1
171.11671	6.6
173.13240	5.7
175.14777	4.8
185.13246	5.5
187.14813	4.0
191.14331	6.8
201.16393	3.4
209.15378	10.6
227.16385	4.9
229.15498	5.4
241.19586	8.6
247.07549	4.4
247.16541	6.9
255.11427	3.1
258.22168	17.3
259.20419	4.6
264.23227	10.3
276.23215	93.4
277.21564	9.9
282.24203	3.8
290.63416	2.7
294.24274	100.0
295.05966	7.0
297.80286	3.0
307.06030	2.7
309.07404	2.3
312.05966	3.2
312.21722	4.5
312.25320	69.0
313.25702	3.0
328.05594	4.3
329.06503	5.4
330.06830	9.4
330.26428	19.9
337.07141	4.3
349.07288	3.6
354.06882	4.1
361.06982	5.4
372.07651	3.3
391.08209	5.0
409.08951	7.0
420.27689	5.6
436.98904	2.7
438.28531	12.2
456.29764	11.9
474.30594	39.1
475.10068	4.3
492.10681	2.8
492.17578	3.7
492.25241	4.4
492.31705	33.7
493.06900	4.2
493.11188	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	492.2716
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.6
55.01872	1.1
55.05513	2.8
57.03427	0.9
57.07087	0.8
59.95174	0.5
62.06079	0.7
65.61843	0.6
67.05499	7.5
67.34704	0.6
69.03422	0.6
69.07057	1.7
70.06567	1.1
71.08624	13.3
71.75112	0.9
74.22125	0.5
79.05486	4.5
81.03395	0.5
81.07052	6.6
83.04964	1.4
83.08609	1.4
85.05272	0.5
85.06514	0.8
86.06066	0.7
86.09702	0.6
91.05463	4.1
93.06591	0.6
93.07046	6.7
94.89363	0.5
95.04965	1.3
95.08595	4.0
97.06528	0.6
98.06042	5.6
99.08079	7.1
105.07030	2.9
107.04903	0.7
107.08562	2.7
108.08115	0.8
109.06470	0.6
109.10162	1.5
110.09569	0.5
117.07009	1.4
119.07330	0.5
119.08577	2.7
120.08099	1.0
121.10109	2.2
124.11214	0.8
129.06989	0.6
129.47308	0.5
131.08478	1.0
133.10149	1.2
135.11659	2.1
138.09138	0.8
143.08545	1.0
145.10106	0.8
147.11623	1.1
149.13211	1.2
151.11176	1.3
152.28223	0.6
161.13229	1.4
162.12685	0.7
166.12126	0.4
179.14284	5.5
190.26099	0.5
206.15398	0.9
216.34113	0.6
222.18503	13.4
277.21619	3.5
317.20938	0.9
318.21060	1.6
320.25812	100.0
321.26169	2.2
334.19269	0.9
336.20734	1.3
351.25262	8.9
418.23209	0.7
474.21808	3.5
491.46802	0.6
492.22610	14.9
492.33481	0.7
493.22928	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.3081
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00230	0.3
55.05491	0.5
56.05017	0.5
57.03437	0.4
58.06603	0.6
60.08158	7.2
67.05490	1.0
68.44872	0.3
69.07048	0.4
70.65047	0.7
70.65408	0.8
71.07368	2.7
79.05492	0.4
81.07044	0.8
86.09696	32.0
95.08589	0.5
98.98457	4.0
104.10742	3.0
109.10151	0.6
124.99989	21.9
137.46649	0.4
142.87962	0.3
177.82079	0.4
184.07326	100.0
185.07610	0.6
212.07216	0.3
474.29700	1.1
492.30710	1.2
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
53.03920	0.6
55.01854	1.3
55.05504	4.0
57.03428	0.8
61.02917	0.4
65.03905	0.6
65.28048	0.4
67.05492	3.4
68.81345	0.4
69.03429	3.3
69.07050	1.3
70.06572	1.7
71.04981	4.2
71.06255	0.4
71.73167	0.4
71.73605	0.8
72.08123	0.9
73.02917	1.0
79.05484	1.9
79.25980	0.4
81.03417	3.3
81.07046	5.6
82.07360	1.0
83.04990	2.9
83.08619	3.1
84.08145	1.1
85.02882	5.1
85.06519	1.9
86.09707	0.6
87.00814	2.1
87.04498	0.6
91.05472	1.9
93.07040	4.1
95.04958	100.0
95.08599	3.6
96.05266	0.8
96.08933	0.4
97.02892	2.6
97.06516	1.6
97.10148	0.7
99.03792	1.1
99.04443	21.3
99.08089	0.9
103.03934	0.7
105.01856	1.6
105.06997	3.0
107.04933	0.6
107.08585	4.7
109.02870	1.7
109.06499	2.0
109.10134	3.1
111.08035	2.0
115.05439	0.4
115.07539	0.9
117.07028	0.4
119.08569	1.3
120.08118	0.6
121.06482	0.8
121.10115	2.4
123.08051	1.1
123.11686	1.7
125.06026	0.6
125.09619	1.8
127.03928	2.9
129.01811	0.6
131.08531	1.2
133.10130	6.6
135.08064	1.4
135.11646	0.5
137.06000	0.8
137.09598	1.0
139.11182	1.7
145.04938	0.8
145.10120	0.7
145.82124	0.4
147.02829	0.8
147.06810	0.4
147.07979	0.6
147.11662	1.3
149.05977	1.1
149.09647	0.8
149.13229	1.3
151.11166	5.0
153.09090	26.3
154.09456	0.5
159.02878	1.6
161.09648	0.5
161.13246	0.8
161.37473	0.4
163.07561	0.6
163.14751	1.0
165.09155	1.5
165.12726	0.4
166.09534	0.7
167.07025	0.9
167.14326	3.7
169.12137	0.7
171.11667	0.5
173.13274	3.7
178.80827	0.4
179.14372	1.5
181.12276	2.1
189.03976	1.3
191.14294	3.6
195.10202	0.5
201.16536	0.5
209.15347	39.4
210.15662	0.9
233.15326	0.6
253.07246	0.4
258.31439	0.4
271.08115	0.5
294.24493	0.6
299.16830	0.5
317.17792	0.5
323.09494	0.8
421.18872	0.7
439.19592	0.5
457.20636	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	492.2435
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.8
55.01852	3.2
55.05493	4.3
56.05025	2.7
57.03423	4.6
60.04508	3.2
61.02910	3.2
66.99615	1.6
67.05495	13.7
69.03433	20.2
69.07055	5.8
70.06578	6.0
70.77570	3.7
70.77937	3.9
70.85439	1.4
71.04992	9.9
71.20015	1.4
72.08161	1.7
72.55712	1.7
73.02905	3.8
74.28313	1.6
74.44090	1.8
79.05475	11.6
80.05003	2.7
81.03409	18.6
81.07058	10.8
82.06563	6.1
83.04965	3.8
83.08620	4.0
84.04478	3.6
84.08125	1.8
85.02389	2.4
85.02901	48.4
85.06527	2.0
86.06049	4.0
87.00826	19.0
91.05460	11.8
93.05782	1.7
93.07050	11.8
94.06541	8.7
95.04961	3.4
95.08600	12.8
96.08114	5.3
97.02883	17.3
97.06486	2.9
97.10168	2.6
99.04446	8.4
99.08035	1.7
105.01860	25.3
105.07045	8.6
105.17225	1.6
107.04939	1.6
107.08574	17.3
108.08073	2.2
109.02868	18.1
109.06525	3.8
109.10146	10.5
111.08053	2.7
112.07569	2.6
117.07040	4.0
119.08594	9.2
121.10138	63.9
121.56891	1.6
123.08049	3.3
123.11689	5.3
125.09609	2.9
127.03907	31.5
129.06987	2.8
131.08556	10.5
133.10123	11.5
134.09666	2.5
135.08076	1.7
135.11638	4.9
137.02211	1.7
137.09622	8.5
139.11172	5.5
143.08527	4.0
145.04942	12.8
145.10110	4.1
147.11673	8.2
149.09584	4.3
149.13251	7.8
151.11153	12.1
153.09044	2.1
154.08588	1.9
157.10167	3.0
159.02882	6.8
159.11621	2.2
161.13313	2.1
163.14795	10.2
171.11633	2.7
173.13242	14.4
191.14316	38.0
209.15358	29.9
213.04016	4.0
227.16396	100.0
228.16844	2.0
229.72964	1.8
231.04919	8.5
241.19473	1.7
249.05986	2.9
258.22119	2.6
276.20438	2.9
276.23126	13.3
277.21716	1.9
294.24310	15.9
312.25330	11.0
456.29260	3.9
474.30865	8.5
492.31116	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	492.2437
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.0
55.01863	2.8
55.05503	19.9
56.05023	3.1
57.03442	3.8
61.02923	2.8
61.36005	1.4
67.05503	12.2
69.03421	7.8
69.07056	4.7
70.00752	10.2
70.06590	8.8
71.04976	3.6
72.08140	2.9
79.05488	9.5
81.03401	5.0
81.07050	13.5
82.06561	5.6
83.04974	18.2
83.08607	13.1
84.04475	2.3
84.08138	2.9
85.02895	18.1
85.06510	3.0
86.06068	1.7
87.00834	5.1
91.05498	9.2
91.18108	1.5
93.07034	12.7
94.06568	16.8
95.04939	6.2
95.08592	10.2
96.08115	6.8
97.02885	6.7
97.06547	3.9
97.10171	2.4
98.19801	1.8
99.04433	3.9
105.01851	6.3
105.07039	9.1
107.08592	15.1
108.08106	1.8
109.02869	4.0
109.06514	6.3
109.10146	13.4
111.08047	4.2
117.07001	3.4
119.08572	4.7
120.08076	2.2
121.10123	12.3
123.11686	4.5
125.09618	5.9
127.03924	6.4
131.08549	3.5
133.10135	13.4
135.08034	3.7
135.11685	2.7
136.07535	2.4
137.02362	1.9
137.06017	2.1
137.09644	2.1
145.04910	4.2
145.10124	5.9
147.11728	3.6
149.13278	6.3
151.11165	25.3
163.07368	1.6
163.13309	1.5
163.14803	1.8
167.14291	29.4
173.13229	6.3
191.14276	9.4
209.15350	100.0
210.15691	2.1
227.16402	14.7
276.23315	7.2
282.24368	1.9
294.24252	30.3
295.05692	1.6
311.05371	1.9
312.25381	13.5
325.07114	1.7
330.26276	3.8
383.39688	1.6
426.09247	2.5
456.09973	2.2
474.30594	6.8
492.31250	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	492.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.7
55.01862	2.2
57.03432	4.0
59.04991	2.0
60.04519	78.2
61.02915	8.9
67.05515	2.6
69.03423	35.5
69.62307	12.0
69.62733	5.2
70.06585	8.1
71.04973	3.3
72.08154	6.2
73.02911	3.6
76.67144	2.0
78.22686	1.7
79.05479	7.8
81.03416	9.2
81.07051	3.9
83.80656	1.9
84.08134	3.5
85.02895	74.8
86.09697	2.3
87.04465	3.7
91.03941	3.5
91.05470	49.8
93.07058	3.9
94.06526	2.2
95.04967	5.4
95.08602	4.1
97.02885	27.9
98.20731	4.3
99.04463	3.7
105.07027	13.2
106.06533	8.3
107.04940	67.1
107.08587	4.6
108.05273	2.5
109.02877	5.7
109.06497	6.4
116.07123	3.2
117.05724	5.0
120.08080	30.1
121.06484	3.3
121.10172	4.2
122.02719	8.5
122.09637	3.9
123.11710	2.4
125.09626	6.2
127.03918	16.2
130.06505	3.2
132.08084	76.1
133.06485	19.3
135.08044	2.0
135.11649	2.2
145.04955	22.4
149.05983	3.0
149.09615	3.2
150.09126	100.0
153.09100	3.0
168.10187	10.5
173.13231	7.8
174.09175	2.1
180.96143	2.0
191.14265	21.7
194.32971	2.0
195.54227	2.1
209.15370	31.6
221.17274	1.9
250.08723	2.4
292.41461	1.9
294.13245	2.6
312.14380	17.7
320.87726	2.0
330.06894	3.7
354.06989	2.9
386.54926	2.1
408.08316	2.5
458.14450	2.0
468.65460	1.9
492.20407	8.2
493.12851	13.5
494.90451	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	2.3
55.05497	2.3
57.03431	8.3
59.04986	2.5
61.02919	4.6
66.94798	1.3
67.29137	1.3
69.03417	4.5
70.06589	11.8
71.04984	63.6
71.72598	1.9
71.72964	1.6
72.08156	3.1
73.02908	3.5
75.04472	4.6
77.97229	1.0
79.05499	1.3
81.03423	1.4
81.07049	1.7
82.29582	1.0
83.04977	9.0
84.04499	3.0
84.08128	4.9
85.02895	100.0
86.06082	3.0
86.09698	4.1
87.04460	3.1
89.06004	3.1
91.03948	2.9
91.05472	1.9
93.06998	1.3
95.08589	1.4
97.02888	9.9
99.04430	2.7
103.03953	1.7
103.05461	3.9
107.04961	1.7
109.02814	2.5
111.04447	5.9
111.41656	1.1
114.05528	1.1
116.07090	5.9
120.08086	2.8
121.02852	3.8
121.06494	18.8
127.03912	7.7
129.05463	41.4
129.10265	1.7
130.04973	1.3
130.06546	1.4
131.04947	2.2
133.08540	1.6
137.02382	1.7
137.05893	1.4
138.09137	1.5
145.04944	10.7
147.06514	22.4
147.99950	0.9
149.10736	6.6
162.02136	1.4
163.06029	2.6
164.09186	3.0
167.07030	6.6
175.14711	1.3
185.08162	1.2
195.12318	1.5
196.12683	1.8
210.98621	1.2
216.12251	1.9
224.07863	1.3
231.10130	2.1
259.11166	2.2
267.05405	1.1
267.11017	1.0
277.71719	1.1
285.12973	1.3
295.06003	2.7
313.12146	1.3
313.21249	2.3
330.07150	1.3
331.13049	1.3
349.06958	1.5
354.06531	1.7
361.07098	4.5
372.07660	1.3
396.08176	1.3
409.09271	1.5
492.09714	1.4
492.18246	2.0
493.11234	1.8
507.55521	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.1721
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.1
55.01852	0.4
56.05021	0.7
57.03421	1.6
58.99566	0.6
61.02921	2.1
67.05470	0.4
69.03423	6.7
69.07043	0.6
70.06586	3.6
71.04971	1.5
71.74538	0.9
72.08142	1.4
73.02900	1.2
76.02226	2.1
79.05481	2.5
81.03415	3.4
81.07027	1.7
84.04471	1.7
84.08109	1.4
85.02896	10.9
86.06057	1.3
86.09682	2.2
86.68365	0.4
87.04456	1.2
91.03908	0.4
91.05467	0.9
93.07056	0.6
94.82191	0.4
95.01340	0.5
95.04951	1.9
95.08617	0.5
97.02885	4.6
98.09687	0.4
99.04431	1.0
104.86015	0.4
105.07008	1.1
107.01257	0.4
107.04941	25.9
108.05273	0.5
109.02865	1.5
111.04408	0.5
113.07173	0.4
116.01654	1.2
116.07092	0.6
120.08068	0.6
121.02837	1.1
121.06479	1.2
123.08036	1.4
127.03931	2.7
127.45225	0.4
129.05473	0.4
129.10211	0.5
130.04927	0.6
133.06471	0.6
136.06158	8.4
136.07370	0.5
136.07622	0.5
137.02271	0.7
137.05949	0.8
141.05496	0.4
144.01157	0.4
145.04955	1.0
145.06129	0.5
147.04356	0.5
148.06122	0.9
149.05959	1.0
149.07039	0.9
156.08405	1.8
162.02220	1.7
167.07042	3.4
169.04948	1.4
172.00623	0.7
172.03760	0.5
178.07217	24.4
179.04860	2.3
184.07274	1.7
185.08112	5.6
190.07323	0.6
198.11188	2.2
206.06712	0.6
216.12247	0.9
221.31992	0.5
224.07761	100.0
225.08025	2.4
233.05893	1.3
236.07805	1.9
242.08406	0.6
244.19167	0.5
266.08792	0.5
268.92566	0.4
270.08112	0.5
308.09021	0.8
325.03461	0.6
329.06619	0.9
330.07272	1.5
330.11929	50.3
331.12308	2.2
350.82254	0.5
354.06873	0.8
355.04175	0.6
363.12015	1.4
372.07782	0.6
378.17590	0.7
386.13171	1.0
399.12207	0.8
417.13019	0.9
434.07385	0.5
492.17175	10.8
492.28607	0.5
493.17480	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.3363
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74100	0.3
55.01871	0.4
55.05506	1.8
57.03422	0.6
57.07071	0.5
58.59155	0.3
65.03907	0.3
67.05199	0.4
67.05505	5.7
69.03410	0.7
69.07050	1.4
69.70265	2.4
70.06575	0.8
71.04980	0.8
72.08138	0.7
79.05466	1.4
81.03407	0.5
81.06611	0.4
81.07052	5.3
83.04981	0.9
83.08611	0.7
85.06522	0.3
87.04454	1.1
90.10497	0.3
91.05469	2.7
93.07039	2.1
95.04969	0.9
95.08604	4.0
97.10146	0.4
105.07040	1.7
107.04906	0.6
107.08588	1.5
107.65499	0.3
109.06510	1.0
109.10160	8.0
111.08051	0.3
117.06977	0.4
118.06526	0.7
119.08572	3.9
121.06495	0.6
121.10138	1.3
122.07279	1.6
123.04399	0.4
123.08067	0.9
123.11697	7.9
125.05973	0.4
129.06976	0.5
130.04919	0.3
130.06558	0.5
131.08597	0.8
133.10123	0.9
135.08018	0.4
137.05952	0.4
137.09605	13.7
139.07518	0.8
143.08582	0.5
145.06487	0.3
145.10063	0.5
146.06038	0.4
147.08034	0.6
147.11633	0.6
149.06046	0.3
149.09622	0.8
149.13246	0.7
151.07468	0.5
155.10625	0.8
157.10043	0.5
159.11674	0.4
161.13219	0.4
165.09103	100.0
166.09430	1.6
167.07077	0.4
169.10033	0.5
171.11565	0.4
173.11760	0.4
173.44072	0.3
175.11134	0.8
177.09158	0.6
181.09996	0.4
183.10149	0.6
185.13203	0.4
189.12811	0.5
201.11073	1.5
203.14430	0.6
203.28519	0.3
205.12273	0.4
253.69241	0.4
295.22644	0.5
318.24524	0.4
319.24417	0.4
339.25281	0.7
369.26059	1.1
387.27225	1.6
399.21136	0.4
405.28363	0.8
416.21524	0.4
417.22519	0.4
427.32071	0.3
445.32269	0.4
473.25504	0.4
473.32120	0.7
491.31982	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	491.2999
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.4
55.05502	2.4
56.96330	0.2
57.03421	0.9
57.07057	0.6
67.05492	2.5
69.07063	2.2
71.08611	0.5
71.76268	0.4
78.69942	0.3
79.05482	1.5
81.07045	2.9
83.08608	1.6
89.03909	4.8
91.05472	0.5
93.07049	0.9
93.16614	0.2
95.04966	0.3
95.08599	2.1
97.06490	0.3
97.10151	0.7
98.98454	2.0
107.04973	1.7
107.08588	0.7
109.10113	0.7
117.03365	5.7
121.10130	0.8
135.04404	13.4
135.11685	0.6
136.04787	0.3
143.82951	0.2
145.02832	9.6
147.18460	0.3
155.01024	2.2
163.03886	100.0
164.04207	1.3
181.04916	1.3
186.05591	0.5
219.06700	0.3
237.22217	0.3
263.23517	0.4
264.24310	0.3
297.88684	0.2
337.27368	2.3
339.29327	0.2
357.14847	0.2
436.87711	0.3
491.29950	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	491.3365
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	0.3
55.01852	0.3
55.05491	1.2
57.03423	0.4
57.07048	0.4
63.16674	0.2
67.05497	5.0
69.03409	0.8
69.07049	1.0
70.05413	0.5
70.05821	0.9
70.06573	0.7
71.04990	0.3
72.08156	0.3
72.57913	0.2
79.05484	1.8
81.03395	0.3
81.06603	0.5
81.07047	5.7
83.04962	0.8
83.08614	0.4
84.08112	0.8
85.02883	0.6
85.06539	0.5
86.09698	0.5
91.05477	1.5
93.07012	1.8
95.04962	0.7
95.08603	4.0
97.06523	0.5
97.10144	0.6
98.21417	0.3
100.97047	0.3
105.07017	0.8
107.04958	0.5
107.08585	1.5
109.06481	0.6
109.10143	7.2
111.08088	0.3
113.09605	0.3
117.07027	0.3
119.08562	3.6
120.08096	0.4
121.06504	0.6
121.10146	1.3
122.07272	2.1
123.08048	0.7
123.11697	7.4
124.07565	0.4
125.05929	0.3
125.09615	0.3
129.06985	0.3
129.10143	0.3
131.04912	0.4
131.08536	0.6
133.10107	0.7
135.08031	0.4
135.11682	0.5
137.05940	0.4
137.09602	12.7
137.13237	0.3
138.09955	0.3
139.07555	0.3
145.10103	0.5
147.07947	0.3
147.11658	0.5
149.09595	0.7
149.13216	1.1
149.89749	0.3
151.07524	0.8
151.11133	0.5
153.12753	0.3
155.10632	0.9
159.11671	0.4
161.09613	0.7
164.06992	0.2
165.09097	100.0
166.09453	1.8
167.06998	0.6
173.11748	0.6
173.13225	0.3
175.11147	0.4
176.14294	0.4
179.10767	0.2
183.10162	0.6
187.07411	0.3
188.03716	0.3
189.09149	0.4
189.12730	0.5
191.10652	0.9
201.11192	1.2
205.12227	0.7
227.14516	0.3
247.20557	0.4
265.21555	0.9
282.70660	0.2
293.24695	0.4
303.22781	0.2
304.24045	0.3
311.22354	0.2
339.25330	0.8
420.25040	0.4
455.24347	0.4
464.21866	0.5
464.27753	0.6
473.19806	0.3
473.25891	0.4
473.32315	0.4
491.20267	0.5
491.28299	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.3001
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	0.2
53.03945	0.5
55.01864	0.6
55.05507	8.2
57.03433	3.3
57.07075	1.1
59.04996	0.2
62.34304	0.2
65.03924	1.3
67.05500	10.7
68.05823	0.2
69.03445	0.3
69.07063	11.6
69.90215	0.1
69.99632	0.2
70.61652	0.2
71.00108	0.3
71.00465	0.3
71.04994	1.0
71.08630	0.5
72.23869	0.2
73.02903	0.2
73.06552	0.2
79.05486	4.0
81.07049	13.9
82.07374	0.3
83.04988	0.6
83.08616	6.8
83.79928	0.2
85.06538	0.8
85.10193	0.2
86.06063	0.2
91.05473	12.9
93.07034	5.5
95.04990	0.9
95.08600	12.9
96.08933	0.3
97.06532	1.6
97.10156	4.8
99.08077	0.7
101.06039	0.2
105.07024	2.6
107.04955	0.3
107.08591	3.3
109.06514	0.4
109.10151	5.1
111.08080	0.8
111.11716	2.0
113.09625	0.4
115.07552	0.2
119.04935	25.1
119.08572	2.6
120.05271	0.3
121.10136	4.5
123.04433	0.5
123.08064	0.5
123.11707	2.0
125.09599	0.8
125.13280	0.5
125.47240	0.2
129.05496	0.4
131.08603	0.3
133.10115	2.6
135.11679	4.3
137.09613	0.6
137.13274	0.9
139.11212	1.2
147.04398	100.0
147.11653	1.9
148.04729	1.9
149.13237	1.2
151.11176	0.8
151.14815	0.8
153.12732	0.6
161.13246	1.6
165.05469	9.5
165.12744	0.7
173.13290	0.2
175.14818	0.8
179.14282	0.7
185.06035	0.4
193.15913	0.2
193.19470	0.4
205.30122	0.2
217.19484	3.7
221.08101	0.6
235.20552	3.8
253.21576	1.6
291.22906	0.2
297.41531	0.2
309.24231	2.6
327.25275	15.7
328.25580	0.5
430.36087	0.2
473.28848	0.2
491.22488	0.7
491.29999	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2999
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.4
55.01863	0.5
55.05506	6.4
57.03201	0.2
57.03439	2.6
57.07071	1.1
65.03914	0.9
67.05139	0.4
67.05499	8.0
69.03417	0.2
69.07059	8.4
69.54510	1.0
69.54926	0.6
71.04980	0.8
71.08617	0.3
73.06577	0.2
79.05489	3.4
81.07045	9.2
81.32450	0.2
81.60139	0.2
83.04971	0.4
83.08609	4.8
85.06526	0.7
85.10152	0.2
91.05470	9.3
92.05803	0.3
93.07032	3.3
95.04964	0.6
95.08595	8.8
97.06521	1.3
97.10157	3.2
99.08066	0.5
105.07030	2.0
107.04879	0.2
107.08580	2.2
109.06490	0.4
109.10146	3.6
111.08050	0.7
111.11728	1.4
113.09646	0.2
119.04929	20.0
119.08575	1.8
120.05208	0.3
120.08134	0.2
121.10117	3.0
123.04411	0.2
123.08072	0.5
123.11671	1.5
125.09614	0.5
125.13258	0.4
129.05482	0.3
133.10126	1.8
135.11687	3.1
137.09534	0.4
137.13252	0.7
139.11168	0.8
141.09056	0.3
145.10115	0.3
147.04390	100.0
147.11639	1.4
148.04703	2.2
149.13243	0.7
151.11191	0.5
151.14780	0.4
153.12708	0.6
161.13275	1.2
163.50935	0.2
165.05463	14.1
165.12750	0.6
165.64345	0.2
175.14799	0.3
179.14220	0.4
189.16374	0.2
193.19554	0.3
215.14490	0.2
217.19492	2.4
221.08067	1.3
235.20541	3.1
253.21634	0.5
291.23190	0.2
309.24210	2.0
313.17706	0.2
327.25253	14.3
328.25757	0.6
399.26923	0.2
453.26636	0.2
473.28943	0.5
491.22501	0.5
491.30106	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2984
Annotation	Hemibrevetoxin B
Peak:m/z	Relative Intensity
70.98584	1.2
81.07059	0.6
102.93328	0.5
109.10181	0.6
134.55008	0.6
331.81503	0.5
448.26462	0.6
491.29913	100.0
492.30377	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	491.2988
Annotation	Hemibrevetoxin B
Peak:m/z	Relative Intensity
51.53894	1.4
55.05495	1.6
62.36451	1.5
67.05475	3.6
68.84261	1.6
69.54466	14.2
81.07045	2.4
105.37929	1.7
128.71400	1.8
250.28712	1.8
267.70444	1.8
284.33521	1.6
491.29929	100.0
492.30087	4.8
502.51993	2.1
511.87048	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2991
Annotation	Hemibrevetoxin B
Peak:m/z	Relative Intensity
67.05496	36.6
71.76102	9.9
81.07043	14.8
95.08582	11.9
109.10132	26.0
173.11691	11.2
343.27914	7.3
345.76135	7.1
491.29987	100.0
491.36630	12.7
492.29913	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	491.299
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	3.0
55.05492	11.9
57.03429	2.6
58.27427	3.2
65.03925	4.4
65.78907	2.6
67.05496	100.0
69.07051	14.0
71.04949	3.5
71.48869	6.8
79.05472	11.3
81.07045	43.9
83.08602	6.9
91.05460	12.8
93.07034	12.3
93.39491	3.1
95.08586	31.4
97.10162	4.0
105.07005	11.6
105.78774	3.2
107.08575	9.6
109.10140	57.0
111.08052	4.0
119.08553	8.0
121.10117	10.1
123.11694	5.4
133.10120	5.0
135.11687	5.8
137.09579	4.1
147.11748	3.4
149.13307	3.8
155.10576	2.6
157.53911	2.8
162.47253	3.1
173.11739	18.4
175.14915	2.7
182.51959	2.8
238.09949	2.9
245.22305	4.3
263.23715	7.0
350.04169	3.7
383.61856	3.4
432.86917	3.1
491.29822	33.1
491.37186	58.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2246
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96433	0.4
67.05490	0.6
70.11102	2.2
76.50809	0.5
79.05450	0.7
91.05468	0.5
105.03148	1.2
110.42411	0.4
181.32523	0.4
182.41187	0.5
190.00926	0.5
191.10388	1.2
315.18997	0.8
317.20877	10.8
333.19104	2.0
335.20624	1.4
356.20862	0.5
373.97183	0.4
399.21353	0.5
417.22751	0.4
429.22330	1.1
431.19769	1.4
446.18423	0.5
449.20251	0.6
471.81464	0.4
473.21375	9.7
491.22473	100.0
492.22696	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	491.2634
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.1
55.01868	8.0
55.05508	9.3
57.03435	6.0
57.07057	1.7
61.64009	1.0
67.05501	17.4
69.03397	4.8
69.07064	6.3
70.35020	2.0
70.35396	3.0
71.04950	3.0
79.05487	13.0
81.03404	2.5
81.06628	1.0
81.07053	17.2
83.01308	2.0
83.04957	2.4
83.08572	3.2
84.08105	1.2
85.02866	1.8
85.06466	1.2
91.05472	20.3
93.07035	12.9
95.04947	5.4
95.08589	7.7
97.02832	1.9
97.06486	2.1
97.10124	1.4
103.05433	2.6
105.03342	1.8
105.07020	16.6
107.04902	3.9
107.08601	9.0
109.06477	2.1
109.10105	4.1
115.05389	3.0
117.07001	12.2
119.04894	2.8
119.08582	8.5
121.06510	5.7
121.10081	4.8
123.04382	3.3
123.08025	2.2
123.11697	1.5
125.02287	3.7
125.76754	1.0
127.03848	1.9
128.06155	2.5
129.06987	8.8
131.04869	4.1
131.08556	9.7
133.06500	5.5
133.10120	6.2
133.59938	1.1
135.04349	4.1
135.07990	4.0
135.11650	2.0
137.05873	1.2
137.09587	2.0
139.03835	4.4
141.06921	3.5
142.07722	1.9
143.08566	5.2
145.06503	6.5
145.10110	7.4
147.04350	2.6
147.07986	4.2
147.11697	2.3
149.05937	3.8
149.09526	3.5
149.13280	1.3
151.03886	1.4
151.11137	2.0
153.06932	2.2
155.03386	1.7
155.08521	5.2
157.06444	3.3
157.10054	3.9
159.04372	1.9
159.08038	5.8
159.11615	3.3
161.05989	6.1
161.09538	3.8
163.03897	6.4
163.07553	1.7
163.11156	2.4
165.05476	1.9
165.06987	2.0
167.08499	3.1
169.06448	1.4
169.10051	4.0
171.04321	1.5
171.07980	3.9
171.11620	3.4
173.05962	5.1
173.09552	2.4
173.13141	1.5
175.03844	3.6
175.07564	1.4
175.11012	1.8
177.05472	6.2
177.12614	1.4
179.03375	1.3
179.06953	2.9
179.08447	2.1
181.04950	2.6
181.06357	1.8
181.10066	1.9
183.08041	1.5
183.11694	2.1
185.05872	2.5
185.09560	2.2
185.13223	1.8
187.03824	2.4
187.07495	2.2
187.11099	2.4
189.05499	6.0
189.09097	2.3
189.12660	2.0
191.10622	1.8
193.04939	1.9
193.10217	1.3
195.07950	1.5
195.11606	2.0
197.05864	1.3
197.09445	1.6
197.13190	1.5
199.03857	1.6
199.07477	1.9
199.11108	2.2
199.14668	1.4
201.05408	2.5
201.09016	1.7
201.12605	1.5
203.06912	3.4
203.10614	1.6
205.08432	1.4
205.12100	1.8
207.10023	2.1
211.11008	1.8
213.05367	2.2
213.08969	1.5
213.12671	1.5
215.07063	1.9
215.10542	1.2
217.08475	1.4
217.12042	1.8
219.10083	3.6
219.13554	1.2
227.10596	1.1
229.08434	2.2
229.12262	1.8
231.09988	3.8
231.13629	1.9
233.11610	3.2
237.12686	1.7
239.14265	1.3
241.12071	1.8
243.09998	2.3
245.11716	6.0
247.13283	2.5
249.11136	1.4
253.15540	1.2
255.10088	1.9
257.11591	1.5
259.13181	2.6
269.11581	2.0
271.13162	3.1
273.14679	1.2
275.12787	1.8
281.18784	1.4
283.13159	1.5
285.14828	1.4
297.14749	2.2
297.18094	1.6
311.20065	1.9
317.20496	1.3
327.19580	2.4
329.13699	1.4
329.20978	2.5
335.20047	2.5
339.19348	1.4
341.20889	2.4
343.18729	1.4
343.22501	1.6
347.14697	1.9
351.19244	3.8
353.20984	6.7
355.22299	1.6
357.20352	2.7
363.19299	4.0
369.16599	1.2
369.20633	19.1
371.22144	7.3
381.20468	19.4
387.21658	2.4
389.23029	2.9
399.21567	29.5
417.22729	26.9
443.23843	3.7
455.23740	4.2
473.25308	10.2
491.22089	100.0
492.16248	1.4
492.22437	5.8
509.21628	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2064
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	0.4
53.03931	0.5
55.01860	0.5
61.43122	0.3
65.03919	0.4
66.04717	0.8
70.06576	1.5
71.40569	0.3
71.40910	0.8
72.08150	0.3
79.05489	1.8
81.07056	1.1
84.04488	0.5
84.08178	0.5
86.09718	0.6
91.05466	4.4
94.04175	3.8
95.04943	1.2
103.05455	11.6
105.03377	0.5
105.07038	2.1
107.04937	1.1
109.06501	1.0
115.05405	1.7
116.06216	1.1
117.01769	0.4
117.07088	0.3
119.04916	1.1
119.08576	1.0
121.06490	1.3
122.03630	9.9
122.04514	0.5
128.06209	1.5
129.06990	2.6
131.04912	17.8
131.08533	0.8
132.05713	0.7
133.06456	2.2
135.04379	0.7
136.05186	0.4
137.05962	100.0
138.06296	1.4
143.04932	0.5
144.05656	2.1
145.06483	1.0
146.03600	0.6
147.08044	1.8
148.05145	0.4
149.05981	0.8
151.07527	4.0
153.05429	0.5
155.04903	1.3
156.05653	1.0
159.08047	5.4
160.05177	0.9
161.05965	5.6
163.07530	26.8
164.07776	0.3
165.05617	0.4
165.09155	0.8
167.07092	0.4
169.06525	0.4
174.06799	0.6
175.07535	7.8
177.05533	0.4
177.09065	2.0
178.07849	0.5
181.06474	0.6
186.06749	0.5
187.07523	22.1
188.08029	0.5
189.07307	0.4
189.09004	1.6
190.07834	0.6
191.07042	0.8
191.08607	1.2
192.09157	0.4
195.08031	0.6
202.07701	2.1
203.08551	3.0
205.06482	1.3
205.08441	0.7
205.10187	0.5
206.07219	0.6
207.08069	0.5
209.09494	0.4
211.07449	0.4
215.08549	0.6
217.06528	0.4
217.10138	0.7
218.07219	1.0
219.08034	2.5
220.08812	1.5
221.09488	0.5
222.06786	0.5
224.08331	0.3
227.08716	0.4
229.10106	1.0
231.08017	4.3
232.08833	1.1
233.06056	0.8
233.09586	1.3
234.06767	0.4
235.07594	1.2
235.11180	1.0
236.08231	0.7
237.09106	1.5
239.08737	0.4
243.08076	0.5
245.09587	1.7
246.10194	0.4
247.07483	1.9
248.08310	3.3
249.09134	1.1
251.06958	0.8
251.10657	1.3
257.09604	2.1
259.07544	4.6
260.08301	0.8
261.09076	1.4
262.09760	0.6
263.07150	0.7
263.10663	4.1
264.07840	0.6
265.08609	3.1
265.12289	1.2
266.09360	1.4
267.10336	0.6
273.09116	1.3
274.09854	1.2
275.07034	0.9
275.10245	0.5
276.07877	2.3
277.08557	1.3
277.11911	0.6
279.10178	3.3
280.10922	0.9
281.07996	0.5
282.08887	0.7
283.09705	0.8
285.08896	0.8
289.12228	2.7
291.10175	7.2
292.10788	0.6
293.08289	0.7
293.11490	0.7
294.08792	1.0
295.09680	0.8
295.12994	0.5
296.10507	0.7
297.11176	8.0
302.09375	1.4
303.10147	1.0
305.11731	1.1
308.10437	1.3
309.11090	1.2
311.12723	4.9
311.15967	0.4
313.70160	0.4
317.11679	7.4
319.09763	0.6
321.11395	0.6
321.14810	0.6
323.12769	13.3
323.16583	0.7
328.25104	0.4
334.11606	0.5
335.12488	0.8
337.14255	1.8
341.09985	0.4
341.13785	1.6
349.14346	9.1
350.14673	0.5
382.63092	0.4
407.48224	0.4
413.17450	0.7
441.16968	0.5
473.19656	3.9
491.20346	1.9
491.29346	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1653
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18468	0.5
51.25998	0.4
55.01844	0.9
55.05486	0.8
57.03408	0.6
61.01122	0.5
61.02882	0.5
67.05470	0.7
69.03385	1.3
69.07034	0.8
70.06596	2.8
70.20846	1.1
70.21247	1.2
71.04887	0.4
71.92333	0.5
71.99918	0.5
72.08111	1.5
81.03415	0.6
81.07020	0.5
84.04488	0.8
84.08105	1.8
85.02873	1.0
86.09659	1.5
91.05460	0.5
95.04958	0.7
97.02849	1.2
113.74177	0.5
120.08050	1.5
121.08865	0.9
123.04383	0.7
132.08034	2.1
133.02791	0.6
134.05960	0.8
137.02280	2.0
137.05917	0.6
140.07062	1.0
145.07478	0.6
146.05948	1.1
147.04271	0.6
148.07516	1.5
149.09534	0.6
160.07510	0.9
162.05431	0.7
163.07590	0.5
165.01810	0.5
168.06599	1.1
174.07881	3.7
174.09235	0.7
175.08603	1.2
176.06973	1.8
177.07487	0.5
185.10770	0.6
187.12329	0.5
188.09428	1.1
191.03296	0.7
197.06084	0.5
197.10696	0.6
198.09135	1.3
198.82655	0.5
199.08624	2.2
199.12230	0.7
200.09395	1.5
201.10188	4.7
202.04935	1.2
203.05272	1.3
204.06526	1.7
207.02902	0.7
209.10669	0.8
211.08638	1.1
211.12192	0.6
212.10730	0.6
213.10190	2.8
214.11000	1.0
215.11774	7.4
216.12502	1.0
223.12228	0.5
225.10168	1.6
226.08791	0.8
226.10930	1.5
227.08125	2.0
227.11778	4.4
228.08830	0.7
229.09723	4.6
229.13252	2.6
238.12314	0.9
239.11824	4.0
241.09650	1.5
241.13318	1.3
242.10431	1.9
243.11237	3.6
244.12053	1.9
251.11798	0.5
253.13432	2.5
255.11255	4.9
256.11823	1.4
257.12857	3.3
269.12878	3.9
270.13474	0.9
271.14499	1.1
273.12259	2.9
280.06863	0.6
281.12744	4.5
283.10797	1.3
284.06732	0.6
287.13904	7.0
288.14612	1.3
295.06091	0.8
296.06522	1.0
297.12289	2.7
298.13107	2.7
299.05438	2.0
299.13861	29.6
300.05869	1.4
300.14209	1.4
301.11749	1.0
309.07452	1.1
310.04773	0.7
311.05399	0.8
315.13373	20.2
316.14124	78.5
317.14645	3.6
323.05511	2.6
325.06952	1.5
326.07373	0.7
329.06546	1.8
337.06952	0.8
341.06750	2.0
342.09686	0.8
351.08813	0.7
353.06537	2.3
355.08765	0.7
371.08966	0.9
372.06625	0.6
395.08917	1.1
431.14505	2.1
455.10223	2.1
463.16519	0.5
473.11664	1.2
474.13553	0.7
491.16589	100.0
492.16953	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	491.1183
Annotation	Isoscutellarein 8,4'-dimethyl ether 7-glucuronide
Peak:m/z	Relative Intensity
50.41357	0.7
55.01835	1.3
55.05511	1.1
57.03431	1.1
59.04989	1.0
65.03906	1.1
67.05479	2.0
69.03410	0.9
69.07047	1.8
70.06577	4.0
70.20307	2.4
72.08144	1.3
79.05473	1.3
81.03400	1.6
81.07034	3.2
83.46431	0.7
84.04486	0.8
84.08122	1.0
84.24890	0.7
85.02888	4.4
85.06499	0.8
85.07658	0.7
86.09686	1.7
89.05994	0.8
91.05474	2.7
93.03389	1.5
93.07014	2.1
94.06573	0.9
95.04943	1.5
95.08591	1.2
97.02866	1.4
97.10178	1.1
103.05425	0.7
105.07014	1.8
107.04941	1.4
107.08578	2.4
109.02882	2.1
109.10107	2.0
111.04437	1.3
119.04926	6.2
119.08578	0.9
120.08083	1.1
121.02854	8.3
121.06498	1.3
121.10111	2.4
125.09561	1.0
127.03938	1.2
131.04886	1.0
133.10109	1.3
135.04416	1.8
136.07600	0.7
137.02354	1.6
137.05977	0.8
145.02818	0.9
147.11679	0.8
151.03900	1.2
154.08591	0.9
157.10124	1.2
159.04344	1.3
161.02370	1.4
175.03914	2.0
177.01871	2.6
177.05431	0.9
179.03386	3.8
189.01781	5.9
191.03368	1.0
195.02847	10.9
203.03394	12.7
207.02861	8.4
215.03300	1.0
217.04910	5.2
219.02779	0.8
221.04387	4.1
225.03790	0.8
227.03380	2.1
235.06015	1.0
243.02818	2.2
251.07101	0.9
255.02910	3.2
258.41956	0.8
267.06558	1.8
268.07242	3.1
271.52698	0.8
273.03925	2.4
279.06482	3.8
283.05920	5.1
293.07834	1.0
294.05176	2.6
295.05981	100.0
296.06659	6.0
297.07501	6.0
299.05463	1.7
307.05984	17.7
308.06693	2.8
309.04190	1.4
309.07523	4.8
310.04630	1.0
311.05640	2.0
317.08170	1.3
319.06073	1.0
320.06766	1.5
321.07559	22.2
322.08127	1.9
323.05502	8.3
325.07050	45.3
326.07410	1.2
329.06589	6.2
333.07498	2.1
335.05496	1.2
335.09088	15.1
337.06943	1.8
341.06531	39.9
342.06992	1.4
345.07498	2.3
349.07022	18.7
353.06509	33.2
354.07065	0.9
361.07071	15.6
363.08603	5.8
365.06409	1.3
367.07953	2.4
368.09674	2.9
371.07596	25.2
373.07007	9.4
377.06567	3.6
379.07846	2.0
381.09808	1.1
389.06403	1.4
391.08130	12.6
395.07571	38.3
396.08035	1.0
401.06580	1.4
407.07593	5.3
409.09155	3.1
419.07581	8.9
425.08636	15.7
437.08667	20.5
455.09674	18.7
455.14456	0.5
473.10748	9.7
481.08511	0.8
491.10602	2.5
491.23633	1.2
491.30392	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	490.331
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	5.4
55.05517	12.7
56.05036	2.4
57.07068	3.2
65.03929	2.7
67.05490	26.9
67.71753	1.8
68.05020	11.6
69.03422	3.4
69.07062	15.2
70.06586	44.8
71.48931	4.1
74.25513	1.9
79.05492	30.3
80.05016	7.5
81.03398	8.8
81.06679	2.0
81.07048	50.6
82.06584	9.1
83.04983	3.6
83.08591	4.6
84.08130	2.7
85.02905	2.7
85.06532	3.7
86.36769	1.8
91.05476	40.9
91.66574	1.8
93.07039	53.2
94.06558	3.9
95.04965	27.0
95.08593	25.7
96.08130	9.0
97.02876	2.3
97.06521	4.6
97.44846	1.8
98.06003	3.0
100.07609	42.8
103.05447	4.1
104.27697	1.9
105.07020	83.5
106.06558	6.4
107.08582	30.2
107.09248	3.2
107.59351	1.9
108.08112	7.6
109.02865	5.9
109.06500	4.7
109.10161	16.8
114.05524	21.5
115.05450	6.6
116.06322	3.4
116.07047	14.7
117.07013	18.9
119.08570	63.3
120.08121	12.3
121.06496	2.9
121.10141	40.3
122.09649	3.6
123.08096	3.3
123.11680	13.9
126.09204	2.1
127.03915	8.8
128.06213	7.4
128.07060	66.1
128.08022	3.5
129.07002	15.9
130.07762	7.5
131.07634	3.5
131.08556	34.6
132.08116	3.3
133.09015	3.4
133.10100	28.9
134.09639	7.1
135.08031	3.8
135.11684	12.9
136.11226	7.3
137.09613	4.2
141.06989	6.2
142.07759	13.3
142.08704	3.4
143.08545	30.5
144.08250	2.1
144.09325	6.7
145.10110	51.8
146.09570	3.4
147.04333	2.9
147.11673	38.1
148.11188	17.4
149.09625	2.0
149.13290	1.9
152.07089	4.0
153.06966	3.4
153.31764	2.2
154.08656	28.3
155.08534	13.9
156.09354	12.1
157.10136	40.2
158.10863	6.4
159.11679	13.0
160.11217	6.4
161.13278	4.8
162.12766	3.5
164.07225	2.6
165.06947	2.9
165.12730	17.6
167.08553	7.5
168.10364	15.9
169.10107	26.1
170.10918	3.4
171.11659	19.9
172.11198	8.4
173.13268	13.6
174.12781	7.4
175.11186	2.3
175.14857	6.0
178.08659	6.7
179.08556	7.5
180.09248	3.8
181.10118	11.4
182.10928	2.8
183.11697	19.7
183.13794	6.3
184.11147	3.5
185.13268	6.6
187.14850	3.7
192.10194	6.3
193.10165	6.7
193.12244	4.3
194.11832	27.9
195.11707	15.5
196.12418	2.9
197.13260	9.7
199.14828	5.7
201.16393	3.3
206.11642	6.3
207.11731	6.3
209.13284	14.1
211.14897	9.2
212.14343	4.0
214.15869	3.0
218.11761	7.4
219.12329	2.7
220.13248	5.9
221.13310	2.8
223.14871	4.4
225.16458	4.3
226.15906	6.6
229.14282	19.8
230.11690	2.9
232.13295	3.1
233.13705	3.1
235.14885	5.9
237.16371	5.2
238.15993	2.4
240.90723	1.8
244.13283	3.2
246.14830	2.3
249.16367	3.2
256.13269	4.7
258.14975	5.1
259.15399	2.3
260.16434	9.3
265.19586	4.7
270.14978	2.0
271.15585	7.4
272.16351	2.6
274.17874	3.4
284.16476	7.1
291.20709	2.4
297.17044	2.0
298.79108	2.0
314.21234	2.1
317.20605	2.2
331.24411	2.6
337.16443	10.9
355.17538	10.2
373.18549	3.5
380.25882	45.5
398.26889	98.4
399.26974	4.2
411.27783	3.7
428.32947	3.0
443.65924	2.2
446.34561	2.5
457.92465	2.1
472.32050	45.5
473.21539	4.4
473.31915	3.4
490.33139	100.0
491.22394	22.6
491.33173	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	490.3157
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78622	0.3
55.01854	0.6
55.05508	2.2
55.58892	0.4
67.05503	2.6
69.03417	0.5
69.07047	1.5
70.06586	1.1
71.04980	0.8
71.73259	0.4
72.08140	0.8
79.05472	1.6
81.03385	0.7
81.07050	4.0
82.07378	0.6
83.04971	0.6
83.08602	0.8
84.08147	0.6
87.04457	11.0
89.83134	0.3
91.05467	2.1
93.07047	1.8
95.04956	1.1
95.08614	2.0
97.06577	0.4
97.10149	0.6
98.06059	0.9
99.80752	0.3
105.07021	1.1
105.60138	0.3
106.06571	0.8
107.04925	0.7
107.07311	1.4
107.08573	1.0
109.06507	0.8
109.10137	1.7
117.05756	0.8
117.07017	0.6
118.06538	5.5
119.08568	1.2
120.08109	0.9
121.10136	0.5
123.08086	0.5
123.11697	0.7
130.06496	2.1
131.07292	1.6
131.08556	0.7
132.08078	4.3
133.06509	0.4
133.08777	0.6
133.10127	0.8
134.09644	0.6
135.08029	0.5
135.11620	0.4
137.05994	0.7
137.09610	1.2
144.08095	2.4
145.06134	0.5
145.08931	0.8
145.10071	0.6
146.09628	4.7
149.09523	0.5
151.07555	0.4
156.08069	0.6
158.09612	0.7
159.11726	0.5
160.11198	1.2
163.11237	0.9
165.09109	7.2
167.07059	0.7
172.11130	1.0
175.14905	0.4
181.04958	0.5
188.14307	0.5
202.15894	0.8
204.10231	0.5
218.11790	0.7
228.17569	1.3
232.13344	1.2
236.16499	0.4
256.16989	1.6
268.17004	0.4
274.18140	0.4
305.98032	0.5
318.24222	5.6
324.26877	1.8
340.26306	4.6
358.27414	1.1
368.25833	19.0
369.26224	0.9
386.26865	21.3
387.27246	0.8
404.27957	7.6
472.24518	0.4
472.30597	2.0
490.31610	100.0
491.25864	0.4
491.31915	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	490.3009
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.9
55.01855	5.3
55.05506	15.4
57.03419	3.6
59.43269	1.6
61.02918	3.9
67.05500	29.3
69.03407	6.9
69.07060	16.2
69.79910	10.6
70.06581	3.3
71.04972	4.1
72.08143	2.2
79.05494	26.0
81.03407	13.2
81.07050	64.5
81.69238	1.6
81.96494	1.5
82.15085	1.8
83.04957	5.1
83.08611	11.2
85.02896	12.3
85.06552	2.9
91.05469	21.0
93.04286	1.6
93.07037	22.8
95.04960	9.4
95.08593	21.1
95.99568	1.7
97.02869	8.5
97.06509	6.6
98.06050	2.1
99.04443	1.9
99.08091	2.4
105.07022	21.2
107.04926	7.1
107.08581	14.5
109.02876	5.4
109.06512	23.9
109.10144	9.5
111.04395	1.8
111.08086	4.3
117.06996	6.1
119.08578	18.0
121.06503	4.2
121.10110	7.9
123.08102	8.7
123.11674	5.6
125.09628	2.1
127.03925	8.4
127.07635	2.0
129.06969	2.9
131.08577	11.4
133.06444	1.9
133.10095	14.9
135.08040	3.0
135.11670	6.0
137.09570	5.7
141.07007	1.8
143.08553	4.3
145.04910	2.8
145.10129	10.5
147.11652	14.9
148.16071	1.8
149.09602	8.9
149.13269	5.3
151.11209	2.0
157.10175	5.1
159.11661	5.5
161.13219	4.0
163.11174	8.7
165.12712	4.2
169.10103	2.4
173.13205	3.7
175.11176	3.7
177.12686	2.9
183.11697	2.0
193.12204	2.6
195.13808	2.1
215.17836	1.8
239.18007	4.3
247.20499	4.3
257.19012	8.8
275.20044	100.0
293.21103	57.4
293.24457	2.5
301.76617	1.8
318.24252	21.5
437.16537	2.1
437.25055	3.7
458.14490	1.8
491.22186	16.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.2279
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	14.4
55.37678	1.5
61.02894	2.1
67.05495	2.2
69.03429	1.8
70.06578	5.5
70.93470	6.3
72.08141	1.8
73.06542	6.8
79.05502	2.1
84.08165	1.7
85.02887	5.8
86.09708	2.1
97.02927	1.6
99.05156	1.6
105.07021	1.6
107.08576	2.0
109.06520	2.3
112.11239	1.5
119.08563	1.6
121.02872	3.0
123.08042	4.5
129.07042	1.7
137.02347	1.9
137.06004	2.1
137.09695	2.0
149.02330	100.0
161.02428	1.8
161.05963	4.1
165.09076	1.8
175.07523	12.0
187.88510	1.5
189.12801	1.9
203.06989	12.2
203.41367	1.5
207.13844	3.2
221.08092	6.3
225.14847	2.4
275.12698	7.4
293.13834	42.7
411.56058	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.2273
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01970	2.3
55.01852	2.7
55.05493	9.4
55.05737	2.8
64.60156	2.1
65.99313	2.1
66.70538	2.3
67.05499	3.9
69.03403	4.2
69.07035	3.1
70.06566	6.3
70.70386	2.8
70.70730	6.8
72.08128	3.9
73.06516	7.0
79.05450	3.0
81.03360	2.6
81.07047	3.9
82.06596	2.9
84.88999	2.2
85.02880	7.6
86.09708	2.5
91.05447	3.8
93.07042	4.9
95.04945	2.5
95.08589	2.9
95.37869	2.4
97.02886	4.6
98.20762	2.5
105.07004	3.6
109.10168	5.8
110.09678	3.4
113.50204	2.4
117.05672	2.5
119.08556	3.4
120.08045	4.8
121.10132	2.7
137.66583	2.2
138.09097	4.1
139.39615	2.5
145.10077	2.8
149.02324	100.0
149.09615	3.9
165.09026	3.5
165.12669	3.1
166.08594	4.6
175.07520	4.3
203.06956	8.0
206.77095	2.7
207.13663	2.6
221.08174	12.2
248.13768	2.5
249.10156	6.3
250.10866	2.4
263.11768	9.5
279.11252	5.1
291.11325	11.5
293.13852	30.9
309.12357	5.1
319.10776	4.5
325.11661	5.3
337.11801	24.7
463.41803	2.3
490.19708	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	490.1554
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	6.1
55.01864	8.5
56.05028	3.7
57.03425	3.9
60.04519	3.2
61.02917	4.3
63.39137	1.2
68.09095	1.4
68.99778	2.5
69.03422	20.7
70.06590	18.3
71.04994	4.2
71.75233	2.1
72.08144	12.3
73.02898	6.6
78.50629	1.3
79.05544	1.2
80.21433	1.1
81.03408	22.2
83.06079	1.7
84.04517	6.6
84.08128	9.7
85.02897	56.7
86.06089	1.6
86.09695	15.7
87.00818	21.9
89.03897	2.1
91.03946	2.4
91.05473	15.9
95.04971	1.3
97.02305	2.7
97.02886	25.8
97.03472	2.6
99.04447	11.1
102.05553	1.8
103.05448	2.0
104.05298	1.6
105.01859	17.1
108.04445	8.3
109.02871	25.3
109.24059	1.6
110.07172	4.5
116.07095	2.2
117.01818	2.2
117.03397	2.6
119.04934	18.8
120.08102	3.9
126.05540	6.7
127.03902	41.9
129.01836	3.2
129.10243	5.2
130.05003	1.5
131.04938	1.8
135.04408	1.7
136.07561	2.4
137.05968	1.9
144.06577	1.4
145.02899	4.5
145.04948	18.4
146.99561	1.4
147.04393	18.6
149.05972	2.5
157.03868	1.9
159.02867	14.1
161.02452	1.6
175.03899	35.9
177.04089	1.4
177.05411	7.4
179.07152	1.9
192.04201	7.9
195.37451	1.3
201.12302	1.4
207.06511	100.0
208.06773	1.8
213.03934	2.6
225.05374	2.5
225.07559	41.9
229.11845	1.7
230.06630	2.9
231.05035	8.8
248.07712	4.0
312.42517	1.3
327.07623	2.6
329.06622	1.7
490.30185	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3573
Annotation	salvin B
Peak:m/z	Relative Intensity
53.03932	4.0
55.01851	6.7
55.05506	47.3
57.03424	3.3
57.07072	7.7
58.75256	3.0
65.03921	3.8
67.05499	70.5
69.03423	3.5
69.07061	52.5
70.04099	3.5
70.04421	18.2
70.59708	3.2
71.08618	11.4
77.00565	3.4
79.05490	41.7
81.03428	4.4
81.07050	83.1
83.04988	5.5
83.08611	29.4
85.06538	7.5
91.05475	48.1
93.07050	49.0
95.04959	17.4
95.08597	60.9
97.06513	5.0
97.10176	15.2
98.20783	4.5
99.08053	5.7
105.07021	45.0
107.04942	7.4
107.08584	34.7
109.06515	9.2
109.10138	26.7
111.08083	6.1
111.11687	6.3
115.05444	6.0
117.07001	18.5
119.08574	38.5
121.06525	10.1
121.10133	21.4
123.11710	10.5
125.09583	7.8
128.06198	5.3
129.07004	21.8
131.08545	31.2
133.06496	5.3
133.10130	24.2
135.08043	6.4
135.11690	13.0
137.09586	5.4
137.13251	4.1
139.11203	3.9
139.99371	3.2
141.07030	7.0
142.07816	3.7
143.08571	16.8
145.10126	22.8
147.08057	6.1
147.11655	16.4
147.74677	3.4
149.13217	8.7
151.11186	8.6
151.14793	3.3
153.12708	5.3
155.08583	9.7
157.10120	13.7
159.11726	10.9
161.13249	12.8
163.11182	5.8
165.12671	4.5
169.10104	9.3
171.11656	8.6
173.13268	10.2
177.12772	4.0
181.10086	5.0
183.11742	7.4
185.13258	10.1
187.14769	5.1
195.11743	4.4
197.13295	4.7
199.14795	5.9
201.16368	3.5
203.14232	4.2
217.19551	9.3
219.13953	3.8
235.20544	5.1
241.89679	3.1
262.40848	3.5
265.21722	6.4
277.21686	3.6
303.23605	4.1
315.23233	3.9
327.23196	3.6
329.24594	3.8
333.24258	3.4
355.26349	6.0
373.27386	4.1
398.26825	3.1
417.31436	5.0
425.34155	11.5
435.32538	15.0
443.34952	4.7
453.33545	43.0
471.34665	100.0
472.34976	3.7
489.35703	68.2
490.32187	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	489.3573
Annotation	Cimigenol
Peak:m/z	Relative Intensity
53.03935	2.8
55.05509	18.2
57.03422	4.0
57.07060	2.7
59.04994	2.8
65.03922	2.8
67.05500	79.0
69.03407	1.3
69.07063	14.8
69.42369	2.5
69.42781	8.0
71.04990	4.5
79.05492	29.5
81.07051	37.1
83.04974	1.9
83.08617	9.9
85.06547	2.3
91.05471	22.5
93.07040	35.5
95.04961	4.0
95.08597	30.5
97.06525	2.2
97.10156	3.7
98.20583	1.4
98.91557	1.0
99.08099	1.9
100.81830	1.3
105.07016	24.2
107.08588	20.5
109.06551	1.4
109.10151	42.6
111.08074	2.9
115.05450	2.2
117.07011	7.4
119.08576	27.9
121.10139	15.5
123.08087	1.6
123.11656	2.4
129.06985	3.9
131.08557	15.7
133.10123	16.6
135.08043	1.1
135.11668	10.8
137.09619	3.4
139.11247	2.1
141.07028	1.1
143.08563	5.9
145.10107	17.1
147.11679	11.6
149.13284	5.2
155.08545	3.7
155.10619	1.6
157.10117	6.4
159.11694	10.6
161.13257	7.5
163.14905	2.1
169.10100	4.1
171.11685	5.7
173.11754	9.6
173.13268	9.0
175.14850	3.2
183.09123	1.1
183.11699	3.3
185.13239	4.7
187.14799	3.9
195.11574	1.0
197.13226	3.0
199.14874	3.2
201.16411	2.0
209.13268	1.1
211.14786	1.8
213.16412	1.7
215.18002	1.4
229.14151	1.2
231.17436	1.0
241.19507	1.6
243.21141	1.6
259.20538	1.6
261.22147	4.3
285.22159	2.4
299.23758	2.0
313.25427	1.0
315.23294	1.3
317.24786	1.8
377.26895	1.2
379.29865	8.1
391.28571	1.4
397.30994	12.8
415.32034	4.4
433.33310	1.7
453.33755	1.3
471.34738	11.3
472.26016	1.1
489.35733	100.0
490.36118	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	489.3571
Annotation	Cimigenol
Peak:m/z	Relative Intensity
51.35354	1.4
53.03933	3.1
55.05507	19.5
57.03413	6.2
57.07053	4.2
67.05500	46.1
69.03417	1.5
69.07053	16.1
69.48874	7.4
69.49302	8.3
79.05487	29.3
81.07047	41.8
83.04958	2.9
83.08615	10.9
85.06543	2.4
91.05463	24.3
93.07037	30.7
95.04961	4.8
95.08597	30.1
97.06505	4.8
97.10133	5.5
105.07021	36.4
107.04913	2.4
107.08584	17.2
109.06489	4.1
109.10136	17.4
112.24635	1.6
115.05473	2.1
117.07018	9.9
119.08572	39.5
121.10131	17.2
123.08060	4.6
123.11672	3.8
125.09601	4.0
128.06213	2.4
129.07030	8.7
131.08574	18.6
133.10124	21.3
135.11674	7.8
139.11172	2.9
141.07014	3.2
142.07741	2.7
143.08562	10.2
145.10100	19.5
147.11655	13.4
149.09598	3.3
149.13226	5.4
155.08511	5.0
156.09451	2.0
157.10112	11.7
159.11664	14.9
161.13303	9.2
163.14737	1.7
169.10121	4.9
171.11659	9.2
173.11777	3.4
173.13113	9.9
175.14784	3.5
183.11722	5.1
185.13243	8.9
186.37279	1.6
187.14766	6.6
189.11139	2.1
197.13263	4.6
199.14780	4.4
201.16316	4.2
209.13298	3.0
211.14754	4.3
213.16431	3.4
215.18056	1.7
221.13287	2.1
221.15268	2.2
225.16277	2.1
227.17920	2.2
239.17816	2.8
241.19652	2.1
255.20917	2.0
259.20486	1.7
261.22073	3.0
275.20096	8.9
293.21188	3.2
299.23645	2.9
303.23352	1.8
317.24796	2.3
363.25177	2.2
377.26727	5.4
379.29962	13.9
391.28464	2.3
397.31052	24.2
398.31381	1.6
415.31891	5.1
433.33118	3.4
435.31781	2.3
453.33087	2.2
471.34647	19.1
489.36160	100.0
490.35779	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	489.2846
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	2.8
57.50535	1.4
67.05485	9.5
69.07061	4.6
70.06576	2.5
71.75460	1.9
74.09711	2.4
76.30743	1.6
77.91335	1.5
79.05482	6.0
81.07040	11.0
83.04910	1.5
83.08604	2.3
83.17801	1.8
89.99451	1.5
91.05461	8.0
92.05834	1.6
93.07040	4.1
95.08582	10.8
96.30399	1.5
97.06519	3.1
105.07028	3.1
107.08572	3.4
109.10107	4.0
119.04935	19.1
119.08653	2.8
121.10147	3.3
123.11619	1.6
123.84388	1.6
133.10129	3.2
135.11691	2.1
136.55247	1.6
147.04396	100.0
165.05475	16.6
213.86079	1.7
215.17920	2.8
233.19009	2.4
251.20140	3.4
273.98083	1.9
325.23782	13.3
382.68552	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2845
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02386	0.3
53.03930	0.7
55.01857	0.8
55.05504	5.3
57.03428	2.6
57.07071	0.7
62.94297	0.2
65.03931	2.2
66.09838	0.3
67.05496	19.1
69.07058	6.1
69.23417	0.3
70.05802	1.7
71.04968	0.7
71.08602	0.5
79.05483	9.7
81.03376	0.5
81.07044	19.6
83.03420	0.3
83.04967	1.0
83.08606	4.7
85.06512	0.8
91.05466	16.9
93.07034	11.0
95.04960	1.3
95.08597	18.4
97.06515	3.0
97.10166	2.1
98.21408	0.6
99.08057	0.7
105.07019	4.2
106.42712	0.3
107.04953	0.7
107.08583	6.6
109.06437	0.4
109.10142	7.5
111.08063	2.1
111.11730	0.6
113.09647	0.4
117.07011	1.2
119.04930	26.6
119.08565	3.7
121.06482	0.4
121.10135	7.0
123.04392	0.6
123.08055	0.5
123.11707	2.7
125.09635	0.6
126.21684	0.3
129.05460	0.4
129.06995	1.0
131.08554	3.3
133.06450	0.4
133.10121	5.2
135.11679	4.9
137.09598	1.3
137.13239	1.0
139.11209	0.6
143.08559	0.5
145.10086	1.8
147.04390	100.0
147.11661	1.8
148.04692	1.3
149.09601	0.4
149.13220	1.8
151.11163	2.7
153.12714	0.5
153.41261	0.3
157.10141	0.3
159.11636	1.5
161.09593	0.3
161.13258	0.7
163.11166	0.4
165.05463	11.4
165.12756	0.6
166.05864	0.5
169.10124	0.4
171.11639	0.5
173.13216	1.3
175.11131	0.4
177.12674	0.5
185.13216	0.4
187.14804	0.8
195.13832	0.6
205.19516	0.3
215.17935	4.0
217.19382	0.5
221.08086	0.8
231.17554	0.3
233.18993	4.4
235.20535	0.7
251.20024	5.2
289.21494	0.6
301.25153	0.4
307.22659	0.5
323.23331	0.3
325.23691	17.5
326.23999	0.3
394.67532	0.3
435.32352	0.7
443.35532	0.3
453.33597	2.0
461.36276	0.5
471.34601	3.9
489.28424	1.4
489.35614	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1963
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	1.0
55.05243	0.8
55.05502	14.2
61.02908	1.3
67.01846	2.2
67.05499	4.9
69.03425	4.6
69.07047	3.2
70.06583	2.9
71.04967	2.2
72.08120	3.1
73.02876	1.0
79.05498	4.5
81.03390	3.2
81.07044	9.4
83.04967	2.1
83.08611	6.8
84.08128	1.1
85.02889	3.8
85.06528	1.7
86.09686	9.8
87.00795	1.2
91.05456	3.8
93.07024	5.0
95.04957	1.8
95.08614	5.0
97.02862	3.0
97.06523	2.1
97.10151	4.2
99.04451	1.9
104.05331	1.0
105.07003	5.0
107.04967	1.0
107.08583	6.5
109.02828	2.3
109.06493	1.9
109.10168	5.0
111.04407	2.8
111.08080	1.6
113.05997	1.9
117.07006	2.5
119.04929	0.8
119.08552	4.9
121.06506	2.2
121.10127	5.4
123.08051	2.2
123.11697	2.0
125.02339	18.3
125.05984	5.9
125.09642	3.5
127.03890	2.8
131.08549	2.1
133.10101	1.8
135.08032	2.2
135.11630	1.9
137.05928	3.1
137.09621	5.3
139.03824	0.9
139.07539	0.8
140.04666	3.2
141.05444	11.5
143.08528	1.6
145.10141	4.5
147.08069	1.1
147.11650	2.9
149.09578	3.8
149.10742	2.0
151.07591	1.7
151.11159	1.1
153.05457	11.2
153.09021	1.2
155.10623	1.0
157.10147	1.2
159.11685	1.3
161.09653	1.7
163.07521	0.8
163.11140	2.4
164.07307	1.5
165.09097	19.4
167.06993	2.0
169.10089	0.9
173.13237	0.8
175.11250	0.8
177.12691	3.7
179.07060	0.8
179.14261	1.1
181.08559	0.8
181.12190	2.0
185.13164	0.7
185.16438	2.5
191.10626	1.8
203.10735	1.0
205.12189	2.0
213.15948	3.8
223.13258	65.3
224.13734	0.7
241.14322	100.0
242.14633	1.8
250.41798	0.8
277.15747	3.3
277.25058	0.8
317.22903	1.6
327.04919	2.2
327.13947	1.0
335.24103	6.2
471.30905	0.8
481.94867	0.8
489.21390	1.1
489.33374	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1907
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92393	0.3
53.03944	0.4
55.01864	0.9
65.03925	0.8
66.04691	0.5
66.97725	0.3
69.03430	0.8
70.06560	0.6
71.40553	0.8
75.45699	0.3
79.05474	1.3
81.07047	0.9
83.60464	0.3
86.09682	0.4
91.05466	8.4
94.04167	4.0
95.04963	1.1
101.56415	0.4
103.05455	3.3
104.06202	0.9
105.07018	4.3
107.04947	2.5
108.55727	0.4
109.06483	1.3
111.04408	0.4
115.05440	3.9
116.06223	0.8
117.07011	3.3
119.04955	1.4
119.08555	5.1
120.08047	0.4
121.06493	2.0
122.03631	8.9
123.04443	0.4
123.08081	0.6
128.06209	3.9
129.07005	5.6
131.04906	3.7
131.08556	1.0
132.05716	5.0
133.02814	0.4
133.06468	3.2
135.04407	1.2
136.05171	0.3
137.05963	100.0
138.06296	1.3
139.05292	0.3
141.06969	0.9
143.04900	0.8
144.05699	2.3
145.06453	2.4
146.03629	1.1
147.04399	2.0
147.08032	6.9
149.05983	1.8
149.09586	0.4
151.03888	1.6
151.07533	3.8
152.06175	0.6
153.06940	0.7
155.04869	1.5
155.06017	0.9
156.05678	1.0
157.06471	1.4
159.04424	0.5
159.08058	6.6
160.05167	3.9
161.05960	11.8
161.09607	0.5
163.07486	2.3
165.06973	3.8
165.09052	0.6
166.07668	0.7
166.22118	0.4
167.04874	0.6
167.07094	0.8
167.08501	0.9
169.06528	0.9
171.04417	0.6
171.08107	0.8
172.05161	3.5
173.05942	0.5
174.06822	0.7
175.07529	45.5
176.06259	0.4
176.07867	0.8
177.05476	0.7
177.06874	0.5
177.09082	2.4
178.07733	1.3
179.07057	1.3
179.08578	1.1
181.05054	0.5
181.06436	1.8
182.07291	1.5
184.05191	0.6
185.05962	1.3
187.07523	20.6
189.05453	0.6
189.06995	1.4
189.09070	1.7
190.07767	0.8
191.07004	1.2
191.08473	0.5
193.06506	3.5
194.07233	0.8
195.08046	1.6
196.08783	0.9
197.06015	0.4
197.09608	0.9
197.82373	0.3
199.07492	6.6
201.09058	0.7
202.07710	1.6
203.08563	1.7
205.06538	2.4
205.10132	0.5
206.07201	1.0
207.08032	1.2
209.05916	1.1
209.09587	0.4
210.06731	3.1
211.07533	1.0
215.08669	2.0
217.06439	1.2
217.08591	1.2
218.07277	0.8
219.08040	1.7
220.05182	0.7
220.08836	1.2
221.05951	6.5
221.09579	1.1
222.06715	1.1
223.07504	0.8
224.08267	2.4
225.09129	4.4
226.07733	0.4
227.06960	1.0
227.10641	0.6
231.08070	2.7
232.08746	1.0
233.05963	1.2
233.09602	1.1
234.06770	3.1
235.07535	2.8
235.11201	0.7
236.08253	0.6
237.05371	0.5
237.09135	3.4
238.06268	1.9
238.09787	0.4
239.07002	0.8
239.10722	0.8
240.07651	0.4
241.08522	0.8
243.08031	2.4
244.08841	0.9
245.05899	0.8
245.09505	0.5
247.07587	1.5
248.08363	2.5
249.05490	0.5
249.06415	0.5
249.09053	4.6
250.06268	1.2
251.07083	1.8
251.10738	0.7
252.07736	1.7
253.08568	5.0
254.09286	0.6
255.06284	0.9
258.06793	0.5
259.07513	2.1
260.08286	1.2
261.09100	1.7
262.06207	1.3
262.09042	0.4
263.07016	1.3
263.10721	1.6
264.07724	0.9
265.08502	5.4
265.11563	0.4
265.12466	0.4
266.09418	1.2
267.10110	5.2
268.07309	1.7
268.10532	0.4
269.08078	1.4
270.08936	0.8
271.07425	2.7
272.08240	0.9
273.08975	1.0
275.07239	0.4
275.10693	1.5
276.07913	0.9
277.08554	6.1
278.09219	0.7
279.06689	0.6
279.09885	0.7
281.08063	0.8
281.11877	0.9
283.06912	0.4
283.09677	5.7
283.12463	0.6
284.10300	1.1
285.11188	20.6
286.11285	0.4
287.06918	0.7
287.10541	0.5
288.07697	1.5
289.08685	1.2
291.10062	3.6
292.10382	0.5
293.08270	0.5
293.11734	0.7
294.08823	1.5
295.09512	2.5
296.10596	0.6
297.08017	0.6
297.11197	8.5
298.11740	0.7
299.12888	0.5
300.07794	0.4
301.08502	0.4
302.09360	0.5
303.10162	5.6
307.11072	1.1
309.11206	8.6
310.12100	1.8
311.12042	0.4
315.10046	1.5
319.09933	0.8
320.10580	1.0
321.11304	2.4
322.11905	0.6
323.12903	5.1
327.12476	0.9
332.10666	0.6
333.11292	1.2
334.12457	0.5
335.13327	3.1
336.11377	0.6
345.09045	0.4
347.13058	0.9
351.12595	0.6
352.10721	0.7
353.11856	0.8
363.10013	0.9
364.10928	1.0
365.14041	0.9
367.13214	0.9
369.11343	0.5
373.25171	0.4
375.10071	0.5
378.12585	0.4
379.13370	1.3
380.10422	0.5
383.12439	0.5
384.13467	0.8
392.10385	0.7
393.11102	0.5
395.12750	1.0
396.13766	0.6
399.15985	2.8
407.12909	1.4
411.16046	1.8
412.12836	0.8
421.14584	0.8
424.12878	0.6
425.13788	1.0
427.15402	3.1
428.16110	0.5
439.15213	4.5
440.16162	0.6
456.15564	0.5
457.16354	1.3
459.17914	6.1
471.18002	6.9
489.19092	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	489.1902
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.9
55.01860	1.6
61.90112	0.8
65.03919	1.0
66.04723	1.0
67.05484	1.2
70.06593	4.7
71.75771	1.2
72.08138	1.0
72.98720	0.7
77.03903	0.7
79.05482	3.8
81.07058	1.9
84.04504	1.7
84.08130	1.1
86.09705	2.0
89.03967	0.9
91.05474	11.0
94.04179	3.5
95.04964	1.9
103.05475	3.7
104.06272	1.1
105.07033	6.6
107.04957	5.5
109.06518	1.3
110.07173	0.9
115.05452	4.7
116.06216	1.9
117.03391	1.4
117.07010	3.3
119.04943	5.0
119.08598	4.9
120.08077	1.3
121.06503	4.3
122.03637	8.5
128.06213	3.5
129.06987	8.1
129.10233	0.9
131.04953	4.9
131.08522	1.4
132.05705	4.0
133.02844	6.3
133.06479	4.3
135.04439	2.6
137.05966	100.0
138.06299	1.7
144.05695	3.4
145.06483	3.7
146.03644	1.3
147.04420	5.2
147.05408	0.9
147.08038	4.8
149.05952	4.6
149.09752	0.8
151.03903	3.2
151.07518	4.7
155.04916	4.6
155.06052	1.1
156.05736	1.6
157.06438	1.1
159.08047	10.9
160.05182	3.2
161.05966	20.0
162.06738	1.4
163.07524	2.6
165.07039	3.2
167.07042	3.3
167.08337	0.8
169.06487	0.8
172.05217	4.0
174.06784	1.5
175.07529	34.6
177.09154	3.8
178.07716	1.8
179.07071	2.2
179.08519	1.0
181.06381	1.1
182.07170	1.1
185.05930	1.2
187.07527	30.6
189.07024	2.2
189.09126	3.5
190.07799	1.6
191.06996	1.4
191.08533	1.9
193.06494	2.4
194.07277	1.9
195.08060	1.3
197.06053	1.1
199.07535	2.4
201.09093	3.4
202.07820	3.2
203.08519	3.9
204.09268	1.3
205.06439	3.6
206.07268	3.5
207.08038	1.2
208.08908	0.9
210.06717	2.4
211.07516	2.6
215.08565	1.9
216.09268	1.1
217.06564	1.6
217.08435	1.1
218.07291	2.1
219.08037	4.5
220.08717	2.2
221.05960	3.2
221.09633	2.8
222.06802	1.7
223.07561	2.5
224.08272	1.3
225.09152	3.0
231.08047	3.6
232.08698	2.3
233.05933	1.5
233.09674	1.9
234.06747	4.8
235.07570	3.6
236.08241	1.6
237.09071	3.3
239.06914	1.3
240.07797	1.3
243.07997	4.3
244.08755	2.3
245.06070	1.6
245.09598	2.0
247.07523	3.4
247.11195	1.1
248.03989	0.8
248.08359	3.1
249.09093	7.8
250.06107	1.5
250.09883	1.9
251.07011	4.0
251.10716	1.5
252.07732	1.7
253.08511	4.3
257.54233	1.0
259.07443	4.1
260.08307	2.3
261.09033	2.2
262.06354	1.7
262.09814	1.4
263.07147	1.8
263.10669	2.9
264.07803	1.1
265.08591	8.6
266.09351	5.3
267.10107	3.6
268.07288	4.1
269.07785	1.1
270.08823	1.3
271.07510	2.8
272.08182	1.4
273.08731	1.1
275.07571	1.3
275.10675	5.6
276.07617	2.0
277.08487	7.9
278.09341	1.5
279.06589	1.7
279.10123	2.7
281.08179	2.8
281.11697	7.6
283.09677	13.4
285.08932	0.8
285.11252	9.5
287.10544	1.5
288.07782	2.5
289.08621	2.7
291.07300	0.8
291.09976	4.4
293.08163	1.3
293.11490	1.0
294.08844	3.0
295.09674	2.9
297.11157	10.6
303.10074	9.1
304.10944	1.9
305.07944	1.0
307.09790	1.1
309.11145	17.4
310.11636	1.9
311.12759	2.5
315.09805	1.5
319.09674	1.9
320.10458	2.2
321.11264	3.3
323.12796	6.4
327.12192	1.6
332.10297	1.6
333.11249	1.8
335.12878	19.5
347.13214	4.3
363.09973	1.6
364.10965	1.0
365.13934	2.0
367.13492	1.2
369.11386	0.9
379.13129	1.1
380.10413	1.7
381.11017	1.0
383.12854	1.0
399.15869	3.1
407.12701	1.9
411.16071	1.8
413.13831	1.3
427.15268	3.3
439.15381	5.3
440.16083	1.3
445.16531	1.4
456.15417	1.0
457.16495	1.4
459.18024	10.8
471.18088	8.0
489.18936	18.5
490.19409	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1902
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76622	0.7
53.03914	0.8
55.01866	2.1
55.05500	1.3
57.49615	0.8
69.88239	5.6
70.06570	3.0
71.49472	0.9
71.85970	0.8
72.08139	1.1
79.05470	2.8
81.07014	0.8
82.76400	0.8
84.04530	1.1
86.09685	2.4
91.05463	11.4
94.04173	3.7
95.04958	1.5
100.11217	2.2
101.03496	0.8
103.05439	3.9
104.06242	1.1
105.07009	6.8
107.04935	5.1
109.06490	1.6
111.04464	1.1
115.05432	4.7
116.06169	1.3
117.07014	2.7
119.04928	3.4
119.08588	4.2
121.06503	4.6
122.03635	9.5
128.06232	3.6
129.06987	7.1
131.04909	5.0
131.08533	2.3
132.05687	3.9
133.02826	5.4
133.06425	4.6
135.04384	2.1
137.05963	100.0
138.06277	1.0
141.06995	1.6
143.04904	0.9
144.05656	4.3
145.06458	3.2
146.03581	1.6
146.07239	1.0
147.04408	4.2
147.08022	6.0
148.05090	1.7
149.05972	3.9
151.03900	2.5
151.07539	4.9
155.04881	3.6
155.06000	0.9
156.05676	2.0
157.06465	2.1
159.08051	13.6
160.05177	3.8
161.05963	16.0
163.07529	3.5
165.05695	1.1
165.07008	3.5
167.07005	3.2
167.08414	1.6
168.05620	0.9
172.05167	9.4
174.06749	1.7
175.07524	38.5
177.09087	5.0
178.07729	1.7
181.06436	1.6
182.07309	1.4
185.05916	1.6
187.07524	43.1
189.07132	1.6
189.09106	4.7
190.07755	1.4
191.07024	2.0
191.08583	1.9
193.06465	3.4
194.07271	1.4
195.08080	1.6
199.07545	4.5
201.09155	2.7
202.07793	2.5
203.08586	3.9
205.06445	3.1
206.07269	2.1
207.07974	1.2
209.05759	1.5
210.06718	2.8
210.14940	1.5
211.07500	2.5
215.08472	2.1
217.06619	1.6
217.08627	3.8
218.07253	1.1
219.07953	4.1
220.05190	1.2
220.08836	1.1
221.05945	4.0
221.09607	3.2
222.06841	1.5
223.07561	1.1
223.13258	1.5
224.08296	1.8
225.09096	3.7
227.06917	1.9
231.08018	3.7
232.08859	1.3
233.05954	1.6
234.06670	3.9
235.07513	4.4
236.08417	1.2
237.09038	3.0
238.06209	1.0
238.09831	1.2
240.07745	1.7
242.07124	0.9
243.08043	3.7
244.08813	2.3
245.05833	1.4
245.09636	1.7
246.06894	1.2
247.07542	2.4
247.10986	0.9
248.08208	2.5
249.09059	7.6
250.06232	1.3
251.07022	2.6
253.08539	4.8
259.07547	3.4
260.08322	2.4
261.09088	2.8
262.06268	1.4
262.09879	1.0
263.06940	2.0
263.10614	2.0
264.07800	1.5
265.08490	5.7
266.05664	0.9
266.09360	3.2
267.06509	1.0
267.10190	3.4
268.07306	2.4
269.08075	1.7
270.08820	1.9
271.07471	3.1
272.08347	1.6
273.09070	1.6
275.07129	0.9
275.10635	5.1
277.08505	7.1
278.09219	1.1
279.06726	0.9
279.10159	2.6
280.07272	1.0
281.08029	2.7
281.11722	6.6
282.08862	0.9
283.09653	11.4
284.10480	1.1
285.11179	15.5
287.06897	1.2
287.10544	2.0
288.07794	2.4
289.08478	1.9
290.09290	1.0
291.10098	5.0
292.10791	0.9
293.11765	1.0
294.08823	1.5
294.12085	0.9
295.09622	2.4
297.11130	11.6
298.11798	1.0
303.10098	9.1
305.08148	1.3
305.11697	1.7
308.10742	0.9
309.11148	16.0
310.11969	1.9
311.12854	1.9
315.10126	3.0
320.10434	2.3
321.11249	4.8
323.13019	4.6
327.12241	2.5
333.11423	2.0
335.12842	16.0
339.12259	1.3
347.13120	5.4
351.09711	1.1
353.11658	1.2
359.10233	0.9
364.10678	1.2
365.13626	2.8
367.13092	1.3
379.13446	1.8
395.12582	1.3
396.13354	1.5
399.16000	2.5
407.12631	2.5
411.15771	2.6
418.14111	1.1
425.13254	1.1
427.15201	4.8
439.15216	4.6
440.15805	1.6
457.16040	1.6
459.18024	13.1
471.17963	11.9
489.19064	18.4
490.19107	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1025
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72953	0.5
52.59205	0.4
53.03938	0.7
55.01854	1.1
55.05489	1.2
55.95285	0.4
56.04155	0.5
57.03410	0.8
59.04999	0.6
62.03799	0.5
62.69661	0.4
65.03922	0.9
65.90866	0.4
67.05500	2.6
68.99794	0.7
69.03405	2.1
69.07050	1.1
69.54113	0.8
69.54453	4.4
70.06569	1.4
71.04990	0.7
72.08134	1.8
73.02878	0.5
79.05468	1.4
81.03410	4.0
81.07031	3.0
81.39725	0.4
84.04485	0.8
84.08132	1.1
85.02402	0.5
85.02891	6.7
85.06524	0.7
86.09700	1.3
87.00816	2.4
91.05463	2.4
93.03370	1.0
93.07041	2.6
95.04930	1.1
95.08588	3.5
97.02856	1.7
97.06473	0.4
97.10169	0.5
98.20756	1.1
105.07009	2.0
107.04965	0.8
107.08570	1.3
108.04462	0.4
109.02872	2.0
109.06478	0.6
109.10148	2.9
111.08103	0.7
115.03909	1.1
117.07049	0.6
119.04931	4.6
119.08560	1.7
120.08021	0.5
120.99046	0.5
121.02846	10.3
121.06468	0.5
121.10151	0.8
123.04428	0.6
123.08054	1.0
123.11699	1.0
125.09542	0.7
127.03920	1.0
131.04961	0.8
131.08565	0.9
133.02869	0.5
133.10098	0.7
135.11664	0.9
137.05966	2.2
137.09608	4.2
141.01706	0.7
141.09042	0.5
145.02777	2.9
145.06458	0.7
145.10072	0.7
145.90459	0.5
147.07994	0.6
147.11652	0.6
148.07628	0.5
149.02332	4.6
149.09604	0.8
153.01843	0.5
163.03822	1.3
165.01814	5.6
165.09087	11.4
167.03387	7.1
171.02831	0.8
175.07487	0.7
175.42175	0.4
177.01834	3.5
177.05310	0.5
180.04700	0.8
183.02866	2.9
187.03909	0.9
187.07556	0.7
195.02847	4.9
201.03867	0.6
203.03355	1.3
205.12286	0.8
207.02867	0.7
219.04861	1.0
221.04279	0.9
223.13268	1.4
229.04941	1.3
231.02869	0.7
231.07729	0.5
239.06990	2.8
253.04759	0.7
265.08734	0.7
267.06488	31.0
270.05206	3.0
271.05994	9.1
272.05893	0.6
281.08060	1.0
281.11642	0.5
283.05966	42.4
284.06720	9.2
293.08054	1.0
295.05969	100.0
296.06259	1.9
297.04166	0.8
297.07523	2.0
299.05478	0.8
305.08093	0.6
307.05972	1.6
308.06851	0.7
309.04013	0.9
309.07535	4.5
311.05453	1.0
313.07019	51.5
314.07355	1.0
321.07562	7.2
325.07120	1.2
337.06995	6.1
339.08649	0.5
349.07019	21.8
350.07294	0.6
355.07977	0.9
367.08081	13.3
368.59207	0.5
385.09119	8.0
399.07050	27.9
400.07312	0.6
400.17831	0.9
401.25098	0.5
403.10199	1.6
424.86142	0.5
445.20422	1.3
453.08066	3.7
471.09280	4.8
489.10196	13.7
489.22906	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	488.2852
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	9.7
57.07061	13.9
67.05484	11.9
68.86797	3.9
69.03403	3.9
69.07066	4.5
71.74915	6.3
75.24805	4.0
79.05486	8.8
81.07050	11.2
83.08611	5.2
85.02817	4.6
85.10183	22.3
91.05460	8.0
93.07024	9.5
95.01292	9.8
95.04996	4.7
95.08600	12.2
95.81992	3.8
103.94201	4.5
104.61973	4.2
105.07001	8.5
110.53434	4.1
113.08914	4.4
113.09623	15.3
119.08678	5.1
121.10114	8.3
129.06989	8.0
131.08588	5.5
155.08440	4.8
163.03876	4.9
165.12724	8.3
190.71460	4.6
203.10574	5.6
215.10606	4.4
217.68236	5.3
243.10400	5.8
261.11191	8.1
271.09659	4.9
289.10590	14.7
305.13919	5.1
307.11676	10.6
323.14783	9.1
325.12793	11.3
391.24496	7.9
399.21722	13.8
407.24173	12.0
417.22778	34.1
425.25266	10.2
435.23718	100.0
453.24857	78.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.285
Annotation	Unknow
Peak:m/z	Relative Intensity
54.55256	3.1
55.01863	5.7
55.05502	8.4
55.59625	3.7
57.07050	4.1
67.05492	11.5
69.03426	3.7
69.07047	9.1
70.75715	3.3
71.00040	10.7
77.79621	3.1
79.05467	10.1
81.03416	3.4
81.07055	16.4
83.08614	4.2
85.10174	10.3
88.32394	3.4
91.05481	11.8
92.37981	3.5
93.07043	13.8
95.01325	5.3
95.04928	6.6
95.08620	11.9
105.07030	7.7
107.08589	6.7
111.08619	3.5
113.09642	8.2
117.06995	8.1
119.08621	7.6
121.06473	4.0
121.10112	6.7
131.08548	5.0
133.10141	4.3
137.02344	3.9
145.10126	6.5
147.11655	4.4
161.05957	5.0
163.03946	5.4
165.12730	7.1
175.03973	4.2
177.01787	7.1
177.05542	4.2
187.11205	8.1
203.07031	7.7
204.88873	3.4
215.10641	7.2
233.11812	5.7
243.10115	10.9
259.09564	4.1
287.27200	3.4
295.22858	6.0
297.13293	4.1
307.11804	7.5
325.12802	100.0
353.20715	3.7
369.20557	11.2
369.78946	3.4
381.20596	3.9
387.21481	11.4
389.22873	5.2
399.21481	17.9
414.18176	3.8
417.22766	28.6
435.23752	31.1
453.24911	21.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3414
Annotation	CHEBI:67946
Peak:m/z	Relative Intensity
53.03939	5.6
55.01875	9.9
55.05505	44.8
57.03434	6.1
57.07065	4.2
65.03928	4.0
67.05495	71.7
69.03419	5.9
69.07057	35.4
69.55737	20.4
71.04984	6.7
79.05487	58.3
81.03407	7.9
81.07047	100.0
83.04971	10.9
83.08611	20.3
85.06524	4.6
91.05468	73.2
93.07034	59.3
95.04961	15.2
95.08594	49.9
97.06519	11.6
97.10127	9.7
99.08092	3.9
103.05475	3.9
105.04496	1.9
105.07018	91.7
107.04940	11.4
107.08575	36.4
109.06511	8.0
109.10133	23.0
111.08075	4.7
115.05426	5.2
116.06274	2.4
117.07010	29.4
119.04927	3.7
119.08564	73.1
121.06525	10.0
121.10120	27.2
123.08060	6.2
123.11693	14.7
125.09611	6.2
127.07518	2.3
128.06229	7.1
129.06995	20.9
131.08549	39.5
133.06483	7.6
133.10107	54.0
135.08047	9.6
135.11708	7.3
137.09602	4.0
141.07005	9.4
142.07794	5.8
143.08548	20.3
145.06490	7.5
145.10117	35.4
147.04416	3.9
147.08034	7.7
147.11664	44.8
149.09586	11.4
149.13242	5.2
151.11209	3.3
154.07710	4.0
155.08571	14.3
156.09354	2.7
157.10106	26.1
159.08032	5.0
159.11693	23.6
161.09621	6.9
161.13242	6.0
163.11148	2.9
165.12730	17.4
167.08536	4.3
169.10106	17.9
171.08073	2.3
171.11664	20.0
173.09587	4.1
173.13304	7.4
175.11142	3.6
175.14859	2.3
177.12769	2.9
181.06273	2.1
181.10130	8.3
183.11708	13.7
183.13770	2.9
185.13275	10.3
187.11133	4.0
195.11586	4.7
195.13780	2.4
197.13280	9.5
199.14864	7.0
209.13264	2.9
211.14816	3.2
213.12595	3.4
213.16348	3.8
215.14354	3.2
219.11659	2.1
221.13338	3.0
223.14902	3.8
233.15369	2.6
239.17966	3.6
257.19043	6.5
261.18411	2.8
273.18488	3.0
275.20023	63.3
285.18439	4.4
289.18027	2.1
289.21182	2.2
291.19547	4.1
299.19998	3.3
301.21603	4.6
313.21655	6.7
315.23267	4.2
327.23175	3.0
339.23343	2.5
341.24863	3.2
343.22473	3.2
353.24951	3.2
405.27606	2.5
415.30042	4.9
417.22507	2.5
423.32684	5.0
433.30927	17.4
441.34058	3.0
451.32047	32.4
459.34613	4.3
469.33112	70.8
470.33463	3.6
487.34183	96.2
488.34586	4.3
491.64041	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3416
Annotation	2-Hydroxyrubiarbonone E
Peak:m/z	Relative Intensity
52.72423	2.0
53.03935	3.7
55.01865	10.8
55.05508	34.6
55.18808	1.8
57.03421	3.8
65.03924	3.1
66.18086	2.1
67.05503	63.4
69.03423	3.4
69.07062	29.0
70.67943	7.6
71.04979	7.4
72.08142	3.9
76.28618	1.9
76.49638	2.3
76.90094	2.1
79.05490	46.8
81.03425	3.4
81.07051	100.0
83.04973	7.5
83.08606	16.9
85.02911	2.5
85.06539	5.4
91.05478	54.4
91.35722	2.0
93.07040	40.3
95.04978	6.6
95.08601	43.1
96.61549	2.1
97.06533	8.9
97.10168	7.4
99.04433	2.1
99.08061	2.4
103.05504	2.6
105.07029	60.7
105.07738	4.3
107.04940	11.0
107.08594	29.1
109.06504	8.3
109.10172	17.5
111.08071	4.6
115.05483	4.3
117.07011	27.1
119.08581	52.8
121.06505	8.1
121.10158	24.7
123.08028	5.3
123.11723	15.0
125.09662	5.5
128.06184	5.3
129.07027	27.7
131.08569	34.0
133.06511	6.0
133.10127	36.3
135.08049	5.7
135.11708	7.3
137.09665	3.3
141.06981	9.3
142.07791	6.9
143.08531	20.6
145.06509	4.8
145.10114	30.2
147.07997	4.0
147.11682	40.4
149.09656	7.0
151.11182	2.9
151.22516	2.2
153.07045	2.2
155.08565	14.2
156.09283	4.2
157.10135	23.9
159.08037	4.1
159.11687	20.6
161.09625	4.5
161.13228	6.9
165.07039	2.5
165.12727	20.2
167.08577	5.7
169.10170	15.5
170.10979	2.3
171.08063	3.3
171.11656	17.8
173.09602	3.8
173.13252	6.9
181.10170	6.4
183.11717	16.7
183.13805	3.1
185.13257	11.5
187.11230	4.1
189.12749	3.8
193.10164	2.7
195.11729	8.9
197.13330	8.4
199.14868	6.6
201.12732	3.8
205.10303	2.1
209.13248	4.5
211.14839	5.5
213.12888	2.9
221.13336	3.4
223.14835	3.4
239.18129	2.6
259.17020	2.3
261.18546	4.1
263.20026	4.9
267.73721	2.2
275.20163	18.3
275.22867	3.3
285.18536	2.8
289.21628	2.4
291.19525	5.0
299.20175	3.7
303.19513	3.9
311.20422	2.3
313.21637	5.8
315.23126	5.0
325.21661	3.2
327.23080	5.6
331.22733	2.8
335.23492	2.2
339.23172	3.7
353.24612	2.7
415.29904	2.7
433.31070	17.5
443.31754	2.9
451.32031	28.7
459.34915	5.0
469.33127	57.4
469.39420	4.4
470.33533	3.8
487.34229	77.8
488.34528	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3262
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	3.5
55.01858	1.9
55.05506	23.2
56.05818	1.2
57.03429	3.1
57.07059	5.0
58.99572	4.0
59.04971	1.4
65.03905	1.5
67.05499	33.6
68.05823	2.8
69.03410	5.2
69.07060	41.9
70.06575	3.8
70.07382	2.1
70.68542	2.5
70.68903	3.6
71.04976	3.6
71.08633	3.0
72.08129	2.1
76.02217	16.8
77.02548	1.5
78.01751	1.3
79.05481	17.2
81.03414	13.5
81.07049	93.1
82.07372	2.5
83.04971	3.9
83.08608	14.8
84.04490	5.0
84.08129	1.4
85.02883	4.2
85.06527	5.8
86.09682	2.9
91.05467	9.8
93.07036	30.0
94.07383	1.5
95.04955	6.1
95.08596	100.0
96.08919	5.3
97.02884	1.8
97.06537	6.1
97.10157	16.9
98.20799	1.6
99.04463	6.9
99.08061	5.1
101.68237	1.2
101.90810	1.2
105.07027	11.7
107.04923	1.5
107.08581	28.1
108.08919	1.7
109.02867	9.7
109.06478	4.7
109.10147	50.0
110.10492	2.8
111.04401	1.4
111.08067	7.7
111.11697	6.1
113.09566	1.6
116.01663	4.9
117.01895	1.4
117.07010	3.0
119.08571	13.5
120.08893	1.7
121.06477	2.5
121.10127	19.6
123.08070	6.0
123.11700	27.9
125.09598	5.8
125.13257	2.8
126.79414	1.1
127.03899	3.6
127.11137	2.4
129.06938	1.8
130.04945	2.3
131.08545	3.4
133.10112	10.9
135.08070	2.8
135.11690	14.8
137.05962	2.3
137.09560	6.7
137.13223	7.1
139.11169	10.0
143.08534	2.6
144.01112	2.5
145.04903	2.0
145.10091	5.2
147.08020	2.1
147.11671	7.4
149.09616	3.4
149.13246	15.9
151.07574	1.9
151.11162	5.0
151.14809	16.4
152.15135	2.9
153.09108	1.4
153.12720	3.1
157.10097	2.1
157.12245	3.5
159.11664	4.3
161.05882	1.5
161.09634	2.8
161.13243	9.0
162.02194	9.0
163.02492	2.8
163.07579	1.4
163.11203	2.6
163.14801	7.4
165.09114	20.1
165.12756	3.6
165.16396	2.0
173.13246	3.5
175.11256	1.5
175.14801	4.8
177.12804	1.8
177.16371	3.6
179.04837	21.0
179.14374	7.5
179.17931	1.8
180.05235	6.4
180.11026	1.3
180.14653	4.8
181.04427	1.8
181.15855	1.5
187.14868	2.6
189.16489	2.0
191.14294	1.5
191.17961	4.4
193.15892	3.2
195.13930	1.4
201.16321	3.3
203.10634	3.0
205.12245	3.2
215.17920	3.7
219.17549	3.0
233.05618	1.3
233.18968	1.7
234.06209	1.9
237.18495	4.4
259.24133	1.4
261.25641	1.4
271.24271	7.6
277.25180	2.8
279.26801	4.7
289.25214	18.2
307.23016	1.4
307.26324	20.5
308.09198	2.0
309.09189	2.0
329.15930	1.7
340.17764	2.8
394.18576	1.4
412.19733	2.2
433.28934	1.6
451.30197	2.3
469.22025	2.3
469.31836	6.3
487.23114	5.8
487.32138	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	487.2153
Annotation	3"-Deamino-3"-hydroxykanamycin X
Peak:m/z	Relative Intensity
53.03951	0.4
55.01873	0.5
55.02115	0.4
55.05516	2.4
55.21579	0.4
56.05009	0.6
57.03432	0.5
58.99567	1.2
61.02937	0.5
67.05505	4.1
68.05833	0.5
69.03409	1.4
69.07069	2.9
69.47186	0.6
69.47588	3.9
70.06583	2.1
71.04987	0.6
72.08138	1.1
76.02225	3.6
77.02557	0.7
79.05498	2.1
81.03417	1.0
81.07052	7.4
82.07362	0.7
83.04963	0.7
83.08600	1.2
84.04480	1.2
84.08109	0.5
85.02895	1.8
85.04816	0.5
85.06537	1.1
86.09691	1.2
89.05997	0.5
91.05473	1.7
93.07037	3.7
95.04960	1.9
95.08598	7.2
96.08944	1.3
97.02890	1.2
97.06508	0.8
97.10169	0.7
99.04436	0.8
105.07014	3.1
107.04927	0.6
107.08570	3.6
108.08936	0.5
109.02871	0.5
109.06534	1.2
109.10143	4.9
110.10442	0.5
111.08096	0.6
113.06010	0.7
116.01675	2.1
117.03638	0.4
117.07001	0.6
119.08588	3.6
121.06484	0.5
121.10151	2.8
123.08051	1.4
123.11726	1.6
125.09634	0.5
127.03960	0.7
129.07031	0.4
130.05002	0.8
131.08553	1.0
133.10109	1.5
135.08022	1.2
135.11676	0.8
137.05940	1.4
137.09645	1.1
137.13179	0.5
139.11191	0.6
141.09178	0.5
144.01193	0.5
145.10126	0.9
147.11681	1.2
149.09634	0.6
149.13232	0.8
151.07553	0.7
151.14845	1.2
155.08453	0.5
157.10136	0.7
159.11752	0.6
161.02959	0.5
161.13275	2.6
162.02194	1.8
162.13548	1.1
163.02563	0.5
163.11168	0.6
165.09103	2.1
177.16374	0.5
179.04831	3.0
179.14314	3.3
180.05203	0.8
180.14633	3.4
185.13399	0.5
189.16270	0.5
195.11780	0.5
215.11272	0.5
233.05861	0.5
234.06425	0.7
251.11179	2.1
259.07455	0.4
269.12442	3.4
271.24277	0.5
287.13538	1.3
289.25204	0.8
307.26163	0.7
308.09311	1.0
309.09631	0.6
325.11520	0.4
325.15778	2.8
412.19659	1.2
443.22668	4.1
469.20084	0.6
469.30670	0.4
487.21448	100.0
488.21777	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2146
Annotation	3"-Deamino-3"-hydroxykanamycin X
Peak:m/z	Relative Intensity
55.05504	0.6
66.22187	0.5
67.05503	1.2
69.03436	0.8
69.07067	0.9
70.06598	2.7
71.04966	0.6
71.06922	0.5
71.73228	0.6
72.08144	2.2
73.02923	0.6
79.05482	1.4
81.07055	2.8
84.04526	0.7
85.02882	1.8
86.06076	0.9
86.09695	6.4
91.05459	0.6
93.07024	0.8
95.04939	0.6
95.08587	1.6
99.08057	0.5
102.05519	1.2
105.07000	1.2
107.08574	1.4
109.02857	1.1
109.10157	1.0
110.07168	0.6
113.89269	0.5
114.10251	0.8
119.05006	0.5
119.08549	0.7
120.86797	0.5
121.10137	1.6
123.08055	0.6
123.11711	0.9
127.03864	0.9
133.10181	1.0
135.08086	0.9
137.05959	0.8
137.09605	0.7
145.04953	0.7
161.06248	0.5
161.09561	0.5
162.07547	0.6
163.11168	0.6
166.08525	0.6
199.18036	0.8
205.09883	3.4
229.15591	0.9
251.64291	0.5
274.49887	0.6
275.15970	1.1
280.12286	0.6
307.18991	0.7
311.05951	0.6
325.12512	0.6
325.15967	2.6
337.06741	0.9
367.07706	1.0
391.06985	0.7
393.05890	0.5
433.08658	0.5
487.21429	100.0
488.10114	0.8
488.21555	4.1
502.87659	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	9.0
57.03424	17.0
59.04990	2.2
60.04511	6.8
61.02918	8.4
65.21162	1.4
65.35722	1.6
69.03429	13.2
69.07037	2.0
70.06562	29.6
71.01352	2.0
71.04975	2.6
71.06907	1.8
71.39755	1.6
71.63917	1.5
72.08131	7.6
73.02915	14.8
73.04021	2.1
74.06068	1.7
81.03391	2.7
84.04482	5.7
84.08121	15.1
85.02897	39.4
86.09700	39.6
87.04443	3.5
87.05580	3.0
88.03977	2.2
91.03953	1.8
91.05468	4.8
97.02881	23.5
98.21456	2.4
102.05536	2.8
103.03941	2.4
103.05462	2.9
109.02892	3.8
109.32941	1.7
110.07131	4.3
112.08665	2.1
115.03917	20.0
120.08099	9.1
125.30676	1.7
127.03899	5.9
129.10222	7.2
130.06516	100.0
131.04880	2.3
133.04961	66.9
133.06021	4.1
135.14131	1.4
136.07559	2.4
137.05951	6.6
141.10246	2.2
143.07286	3.2
143.11790	2.1
144.08057	22.0
145.04945	8.6
151.03857	1.9
154.75801	1.6
157.07552	1.7
157.13358	2.5
160.07603	2.3
161.05891	3.2
168.08063	2.8
170.05925	2.5
172.07574	27.8
175.08730	3.2
176.07057	84.4
184.07607	2.6
185.12872	2.6
188.07010	13.5
193.09641	2.0
198.09084	3.0
200.13965	6.5
201.05515	1.7
208.07663	1.8
218.08131	39.6
226.08607	9.7
228.13499	4.6
244.09622	8.1
254.08133	4.5
262.10721	4.4
272.09161	10.5
290.10239	27.8
295.10333	1.9
299.17090	4.6
308.11331	9.9
309.11438	1.7
373.18402	1.6
487.21686	2.0
488.13474	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	9.0
57.03424	17.0
59.04990	2.2
60.04511	6.8
61.02918	8.4
65.21162	1.4
65.35722	1.6
69.03429	13.2
69.07037	2.0
70.06562	29.6
71.01352	2.0
71.04975	2.6
71.06907	1.8
71.39755	1.6
71.63917	1.5
72.08131	7.6
73.02915	14.8
73.04021	2.1
74.06068	1.7
81.03391	2.7
84.04482	5.7
84.08121	15.1
85.02897	39.4
86.09700	39.6
87.04443	3.5
87.05580	3.0
88.03977	2.2
91.03953	1.8
91.05468	4.8
97.02881	23.5
98.21456	2.4
102.05536	2.8
103.03941	2.4
103.05462	2.9
109.02892	3.8
109.32941	1.7
110.07131	4.3
112.08665	2.1
115.03917	20.0
120.08099	9.1
125.30676	1.7
127.03899	5.9
129.10222	7.2
130.06516	100.0
131.04880	2.3
133.04961	66.9
133.06021	4.1
135.14131	1.4
136.07559	2.4
137.05951	6.6
141.10246	2.2
143.07286	3.2
143.11790	2.1
144.08057	22.0
145.04945	8.6
151.03857	1.9
154.75801	1.6
157.07552	1.7
157.13358	2.5
160.07603	2.3
161.05891	3.2
168.08063	2.8
170.05925	2.5
172.07574	27.8
175.08730	3.2
176.07057	84.4
184.07607	2.6
185.12872	2.6
188.07010	13.5
193.09641	2.0
198.09084	3.0
200.13965	6.5
201.05515	1.7
208.07663	1.8
218.08131	39.6
226.08607	9.7
228.13499	4.6
244.09622	8.1
254.08133	4.5
262.10721	4.4
272.09161	10.5
290.10239	27.8
295.10333	1.9
299.17090	4.6
308.11331	9.9
309.11438	1.7
373.18402	1.6
487.21686	2.0
488.13474	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
60.21594	1.0
60.62340	1.1
66.62843	0.9
67.05853	1.0
68.99782	4.2
69.03416	1.4
69.07067	1.1
79.05487	12.6
81.07061	1.1
83.08653	1.2
86.09685	1.3
91.05476	1.8
95.04951	1.6
97.02881	2.4
98.21554	2.0
103.05452	6.4
107.04948	35.3
109.02818	1.8
112.10342	1.0
116.04980	2.7
120.08160	1.2
127.03909	2.5
131.04935	3.2
137.05956	3.2
147.04381	2.7
161.06013	1.0
175.03891	100.0
176.04211	1.6
187.07527	2.3
193.04944	12.5
251.07025	1.6
279.06516	4.6
297.07553	2.1
319.08191	1.6
337.09128	5.3
425.71793	1.2
487.17685	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.185
Annotation	Haplodimerine
Peak:m/z	Relative Intensity
55.01854	0.7
56.05015	0.4
57.03397	0.3
69.03423	1.1
69.48454	2.9
70.06573	1.1
70.85561	0.3
72.08130	1.0
74.00645	0.4
76.03987	1.4
76.33231	0.3
80.05000	0.4
81.03372	0.4
82.06602	0.3
83.06118	0.4
84.04494	5.4
84.08129	0.6
85.02901	0.4
85.04041	1.6
85.33147	0.3
86.06055	1.5
86.09687	1.2
87.04461	17.1
91.05499	0.5
92.01687	0.7
93.05766	3.0
94.06544	1.3
97.01122	0.4
99.02650	0.8
99.05544	0.9
104.10699	0.4
106.06538	1.0
107.07321	0.7
111.02644	0.3
112.04057	0.5
113.03461	0.5
114.87859	0.4
120.08107	1.1
123.08119	0.3
124.02202	0.5
126.03736	13.8
129.06586	0.5
130.04993	3.3
131.04488	0.9
131.08524	0.4
132.08075	3.1
133.08841	1.3
133.09784	0.3
134.09634	1.3
135.02591	1.2
137.02353	0.4
138.03711	1.0
140.05240	0.4
145.06099	0.6
148.07553	0.4
149.03789	0.5
150.09137	0.8
152.05261	2.9
153.04099	0.9
153.06512	0.3
160.07555	2.1
161.08342	2.7
162.09145	1.0
164.07062	0.6
165.15665	0.4
166.06851	10.6
168.04761	1.4
172.03941	0.5
176.05295	1.5
177.03290	4.7
179.06387	0.4
179.09430	2.0
180.04770	1.2
180.10196	5.4
181.06107	0.5
182.11768	1.1
184.07939	1.5
185.03812	2.2
194.06355	14.9
196.07874	0.9
199.07062	0.6
212.07385	100.0
213.07700	1.1
214.08955	1.1
220.07896	1.2
225.39351	0.3
231.04323	5.5
238.08928	5.5
248.07446	1.9
255.02713	0.6
255.11621	5.2
265.10132	2.2
266.08459	9.0
283.11090	3.5
287.13959	0.4
288.06497	0.6
288.14694	0.7
306.07428	0.5
311.05380	0.4
321.12659	1.7
325.06671	0.4
358.07224	0.3
358.14325	8.8
389.06418	0.4
391.08044	0.4
394.14285	0.7
412.15558	0.7
419.07550	0.4
487.10672	3.7
487.20499	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1445
Annotation	Unknow
Peak:m/z	Relative Intensity
55.22923	0.4
57.03412	1.0
69.03417	0.4
69.49684	1.0
69.50111	2.4
70.06576	2.0
70.69104	0.4
71.04679	0.4
71.04992	5.4
72.08131	0.9
79.05482	0.5
83.04973	0.9
84.04471	0.6
84.08121	0.8
85.02902	6.2
86.09671	0.8
91.05470	0.5
97.02899	0.5
98.21466	0.6
109.30058	0.4
111.04492	0.5
123.04426	5.4
127.03973	0.4
129.05487	1.3
133.02850	4.7
135.04387	1.3
137.05948	0.4
144.08098	0.5
147.04407	0.5
151.03899	2.3
153.04070	1.3
179.03381	100.0
180.03783	1.5
247.10495	0.4
291.77518	0.4
337.11450	0.8
341.08673	3.1
355.12457	1.3
487.08908	0.6
487.17535	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.2696
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01848	34.4
55.05499	49.5
61.86774	11.7
67.05489	63.0
69.03422	16.1
69.07063	51.5
71.04972	16.9
71.74601	31.2
72.08125	42.1
79.05489	35.1
81.07034	100.0
83.04966	23.8
85.02890	33.8
87.90642	15.6
88.26525	14.6
91.05471	66.8
93.07034	57.8
95.04945	23.0
95.08587	44.6
97.02895	24.2
105.07034	58.4
105.76003	15.6
107.04944	16.1
107.08588	51.1
109.06514	34.2
109.10163	24.6
117.07027	20.3
119.08559	54.0
121.10113	13.6
123.11751	19.0
127.03902	19.2
129.07051	13.6
131.08548	29.3
133.10086	24.3
147.11673	64.6
165.12764	33.1
179.10681	27.9
195.10141	25.1
195.48018	14.7
203.60649	13.5
240.11533	14.5
244.75041	14.2
303.00775	12.7
386.26715	13.5
397.20132	21.1
405.22653	20.0
406.41437	15.9
415.21252	32.4
433.22272	46.6
451.23184	25.1
484.27823	18.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.2694
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	28.9
55.05510	52.0
57.03435	19.5
67.05497	48.7
69.03397	10.5
69.07045	37.6
69.58638	74.7
75.95386	8.0
79.05493	53.4
81.03391	16.8
81.07067	65.2
83.08604	32.7
88.10513	10.3
91.05456	53.5
91.67549	10.5
93.07038	53.9
95.04958	15.2
95.08582	38.6
97.02864	8.9
97.10170	14.2
105.07026	51.4
107.04926	21.2
107.08556	32.2
109.06510	22.0
109.10114	14.2
111.08057	23.1
115.05368	12.7
117.06997	34.4
119.08566	31.2
120.94588	7.7
121.06459	20.7
121.10132	22.9
123.07999	13.8
125.09612	11.6
128.06210	12.5
129.06949	26.7
131.04953	11.1
131.08562	30.0
133.10112	22.1
135.08025	17.7
137.05968	11.2
137.09583	10.5
142.07777	8.0
143.08521	18.2
145.06425	22.3
145.10112	15.9
147.04422	20.2
147.11676	25.2
149.09659	14.8
155.08542	15.6
157.10109	10.6
159.07950	14.8
159.11691	10.6
161.05968	15.4
161.09576	11.5
163.03969	11.3
163.07623	12.5
171.08012	15.1
173.06081	10.9
173.13275	9.9
175.03831	15.1
175.11124	11.1
177.05467	8.9
177.09123	11.3
179.08595	12.1
181.06557	11.0
181.10091	15.6
183.07983	14.5
183.11584	9.7
185.05943	14.8
185.09628	16.9
187.07481	19.5
189.05461	13.7
195.11725	9.9
197.09456	14.9
197.13240	12.5
199.07619	10.4
199.11195	11.7
203.03334	14.7
207.11655	11.6
209.09660	12.2
211.11134	21.0
213.09007	14.9
213.12621	16.0
215.07027	11.6
219.10013	10.9
227.10739	16.2
229.05020	13.2
229.12294	8.9
231.10117	14.5
237.12730	9.8
241.08569	20.5
241.12302	11.7
243.10089	9.7
259.09427	11.6
295.13342	11.0
301.14603	10.1
313.14276	19.9
323.19901	10.0
329.13797	10.4
333.18338	15.6
341.20923	12.2
349.17947	13.3
351.19394	31.1
357.20425	29.1
367.18979	19.3
369.20560	71.0
375.21478	25.8
379.18961	34.9
385.19949	32.4
387.21649	100.0
397.20154	55.7
405.22809	52.9
415.21063	53.8
433.22064	41.0
504.88943	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	486.2694
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	7.3
55.05511	20.5
57.23864	4.3
58.64690	4.0
61.67617	4.8
67.05489	8.5
69.07067	5.1
70.06600	4.0
71.74632	4.1
78.42374	4.7
79.05497	8.0
80.86193	4.2
81.03434	6.3
81.07047	11.1
83.08599	12.3
91.05480	15.7
93.07066	8.7
95.01341	5.3
95.04970	8.1
95.08589	11.9
98.14906	4.1
105.03376	4.8
105.07027	12.4
107.04974	5.4
111.08053	4.2
117.06978	4.6
119.08575	8.3
121.10110	5.9
127.11150	8.0
129.06982	6.2
131.08528	8.2
135.04417	5.3
143.08607	7.5
146.38235	3.9
147.08044	4.6
151.04047	4.3
157.10175	5.3
169.10202	5.5
173.06026	7.0
173.09688	5.3
177.01834	5.0
183.40230	4.2
187.11127	7.2
203.07022	5.7
215.10724	7.1
243.10173	17.9
261.11227	11.2
289.10651	12.7
307.11676	15.1
325.12775	100.0
327.18851	5.9
345.13620	5.8
363.14297	4.9
387.21536	4.6
397.19955	10.2
405.22910	4.8
415.21112	17.7
433.22299	22.9
451.23154	36.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.2693
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	10.9
55.05503	26.0
56.39330	7.2
65.78851	10.3
67.05479	9.6
69.07056	19.0
71.14650	25.3
79.05489	12.2
81.07029	30.4
83.08595	11.7
84.40288	8.7
91.05467	11.4
93.07063	15.9
95.01329	8.0
95.04966	10.9
95.08582	16.4
101.06068	7.0
105.06992	10.3
107.08564	9.9
108.35023	7.9
109.06523	9.2
119.08561	13.2
121.10129	9.1
127.03988	8.9
129.68129	7.8
135.08023	8.3
137.09625	7.5
145.10049	13.2
148.88968	6.8
150.28612	7.2
150.66397	7.5
154.18330	8.1
159.08040	8.1
169.25897	8.0
172.53426	7.7
182.70721	8.5
243.09990	8.0
261.11148	9.1
289.10669	32.6
307.11847	19.3
315.19662	11.5
349.91980	8.4
387.21777	8.4
415.21204	18.5
433.22159	52.0
451.23260	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.2691
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87672	8.3
54.26349	8.2
55.01861	8.7
55.05494	26.9
67.05485	31.1
69.07053	14.7
69.63019	17.2
69.63428	52.4
79.05478	20.9
81.03424	7.9
81.07053	44.4
83.08606	10.1
90.28428	8.5
91.05466	31.6
93.07029	16.5
95.04951	9.4
95.08577	17.1
98.21444	10.9
105.07030	8.3
107.08590	9.1
117.07005	11.8
119.08558	8.4
121.10152	10.7
133.10103	11.4
147.11688	19.1
149.09599	10.3
165.12732	10.8
171.11754	9.4
186.84578	8.3
197.80815	7.3
205.08424	9.3
275.20123	11.8
351.19498	12.3
355.18964	14.9
363.14310	10.5
367.18860	16.4
373.19733	21.0
379.19278	11.9
387.21286	8.2
397.20071	34.1
415.21262	86.4
433.22141	100.0
513.76099	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	486.2266
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	0.7
55.01844	1.3
55.05503	9.4
56.05020	1.2
57.03420	1.9
57.07060	1.5
57.98805	0.7
58.99304	1.0
58.99578	14.0
61.01133	1.1
65.03909	1.0
67.05496	38.2
69.03421	3.4
69.07049	10.1
69.20080	0.6
69.63945	1.4
69.64342	4.6
70.06558	2.2
71.04982	1.5
72.08124	2.4
74.00627	1.0
76.02220	70.4
76.03974	2.9
79.05481	12.2
81.03389	2.5
81.07046	35.9
82.07404	0.8
83.04960	2.2
83.06093	3.3
83.08610	5.4
84.04491	24.7
84.08136	1.4
85.01101	1.6
85.02879	3.6
85.06530	1.5
86.09666	0.7
86.99026	4.7
87.00799	1.3
87.02670	1.5
88.02206	2.8
91.05467	10.4
93.07036	14.0
95.04954	5.3
95.08595	54.8
96.08935	1.3
97.01098	1.4
97.02881	1.6
97.06512	2.3
97.10138	1.8
98.00721	0.7
99.04413	1.2
99.05524	1.7
102.05499	1.2
105.01843	1.8
105.07020	12.6
107.08585	8.0
109.02868	2.7
109.06522	4.1
109.10147	33.4
110.10448	1.2
111.08052	1.5
112.03910	1.1
113.04193	2.6
114.03689	0.7
114.05558	0.7
116.01663	25.4
117.06997	4.7
119.08565	14.8
119.82359	0.7
121.10123	4.8
123.08057	4.1
123.11678	2.9
126.09066	1.0
127.03908	2.7
129.06526	4.0
130.04985	6.9
130.06816	3.2
130.08609	1.0
131.08536	1.8
133.10110	5.8
134.09627	3.4
135.11674	3.7
137.09586	3.0
138.09853	0.8
139.05734	2.2
139.11139	0.9
141.04726	1.0
141.07277	1.0
142.03212	5.6
143.08530	1.4
144.01144	13.4
145.04953	1.2
145.06053	1.9
145.10091	1.6
147.07945	1.0
147.40862	0.7
148.06023	0.9
148.11069	0.8
149.13222	1.6
151.14799	19.0
153.06522	0.8
156.08389	1.0
157.10074	1.4
159.11658	0.7
161.09610	1.6
161.13228	12.1
162.02185	49.0
165.09087	1.1
165.12756	0.9
167.05244	1.4
170.02687	3.0
175.14824	1.1
178.15872	0.9
179.04832	100.0
179.14284	32.4
185.13243	2.8
187.05356	4.2
193.10345	0.9
202.12233	0.8
203.07300	0.8
203.14291	3.4
209.13655	0.8
215.04741	1.2
216.03250	1.0
216.06897	1.5
233.05893	18.4
233.09581	2.3
236.14691	3.4
237.12988	4.5
245.05896	3.0
254.15613	1.7
283.78146	0.7
290.08124	0.9
290.17477	1.9
291.06461	3.4
306.25040	0.9
308.09113	13.9
339.17279	12.1
348.09726	0.8
357.18195	1.3
365.18710	1.1
393.18329	2.2
411.19501	12.1
412.19659	1.0
468.21790	6.5
486.22635	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	486.2267
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.0
55.01862	2.0
55.05503	9.0
57.03421	1.2
57.07073	1.2
58.99576	13.5
59.04973	0.9
60.76369	0.9
65.03928	1.1
67.05497	30.3
69.03394	1.9
69.07056	6.7
69.56987	1.9
69.57401	6.6
71.04984	1.6
72.08130	1.1
75.01423	0.8
76.02220	60.6
76.03989	2.5
79.05483	9.5
81.07047	26.1
81.07410	0.5
83.04970	1.0
83.06100	3.8
83.08595	3.3
84.04500	18.1
85.01134	1.6
86.99040	4.4
87.02675	1.4
88.02209	1.4
91.05491	6.7
93.07034	10.9
95.04955	4.3
95.08596	45.6
97.06512	1.6
98.20702	1.8
99.05569	1.8
105.07022	8.5
107.08578	5.0
109.06503	3.9
109.10143	26.5
113.04193	1.7
116.01664	20.1
117.07008	1.6
119.08556	12.0
121.10097	3.1
123.08073	4.1
123.11704	1.1
129.06554	4.4
130.04994	7.2
130.06808	2.5
130.08585	1.7
133.10112	5.1
134.09668	1.5
135.11670	3.3
137.09610	3.8
139.05760	1.2
141.04805	1.1
142.03244	5.6
144.01117	12.3
149.09697	1.2
151.14798	20.3
153.06563	1.1
161.13249	12.3
162.02182	40.5
170.02682	2.5
176.14316	0.9
178.03816	0.9
178.15880	1.2
179.04839	100.0
179.14297	41.7
179.15919	0.9
180.14833	0.9
184.09471	0.9
187.05396	4.3
215.04877	1.5
216.06847	1.5
219.12045	1.1
233.05890	17.5
233.09499	1.6
236.14680	3.4
237.13080	2.6
242.37286	0.9
245.05934	2.9
254.15816	1.3
254.73012	0.9
291.06326	2.0
306.34677	0.9
308.09067	15.6
317.85623	1.0
339.17319	12.4
357.18390	1.3
411.19504	17.9
437.82343	0.9
458.85135	1.0
468.21518	5.3
486.22729	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	486.2265
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	2.5
55.01875	3.4
55.05502	18.5
56.05039	2.7
57.03438	4.7
58.99391	1.8
58.99589	18.8
59.04996	8.9
65.03938	2.9
67.05502	57.9
68.05830	2.5
69.03428	7.3
69.07051	15.2
70.06593	9.6
70.39759	8.1
70.40156	4.7
71.04984	4.7
72.08167	4.5
76.02222	66.6
76.02648	4.6
79.05492	23.3
81.03419	8.7
81.07050	55.9
82.07404	3.5
83.04988	5.9
83.06113	4.3
83.08607	10.0
84.04498	28.9
84.08144	6.4
85.01125	3.7
85.02890	5.9
85.06548	4.5
86.99049	3.8
87.04472	5.5
88.02183	2.5
89.06029	5.8
91.05471	16.7
93.07029	28.3
94.06538	3.2
95.04964	11.1
95.08598	96.2
97.06535	4.4
97.10138	4.1
98.06075	2.5
105.07024	20.4
107.04991	3.4
107.08587	12.1
108.08870	2.5
109.06503	8.1
109.10146	67.2
111.08054	2.4
112.02194	4.2
113.04277	2.9
116.01687	24.2
117.07030	6.5
119.08551	29.0
120.08093	2.9
121.10140	9.4
123.08064	6.7
125.09698	2.9
126.03761	3.5
129.06683	2.7
130.04987	7.5
130.06784	3.2
131.04939	2.7
133.06625	2.9
133.10136	10.7
134.09663	5.0
135.08090	3.8
135.11691	7.3
137.09607	10.3
142.03212	4.6
144.01134	11.1
145.06129	3.4
145.10156	3.2
147.07990	2.4
147.11647	2.9
149.05762	2.5
149.09673	2.4
151.11182	3.7
151.14812	45.0
157.10196	4.3
161.13277	19.8
162.02180	43.3
175.14853	2.7
179.04848	100.0
179.14296	58.4
187.05342	3.0
211.13313	4.9
224.11098	2.5
227.76578	2.6
233.05899	13.9
236.14723	5.1
237.13083	3.6
238.05841	2.8
254.15727	6.1
308.09067	8.3
309.20154	2.8
339.17319	25.0
357.14651	6.3
357.18439	5.8
370.70895	2.2
393.18359	3.5
411.19467	15.8
468.21875	8.6
486.23270	7.3
487.24524	10.2
497.48520	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	486.2267
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.7
55.01857	2.4
55.05507	12.1
56.05034	1.6
57.03424	3.3
57.07057	2.1
58.99342	1.2
58.99579	13.7
59.04976	1.2
65.03923	1.1
67.05499	43.2
69.03422	3.1
69.07056	8.0
70.06577	3.3
70.18846	3.5
70.19273	2.0
71.04973	2.0
72.08130	1.8
72.33878	1.0
73.01104	1.2
73.64919	1.0
74.00633	1.5
76.02219	64.7
76.03992	3.4
76.86124	1.0
79.05489	11.6
79.06211	0.9
80.05006	1.5
81.03414	2.3
81.07046	26.6
82.06548	0.9
83.04967	1.6
83.06100	5.6
83.08615	5.3
84.04494	21.7
84.08127	2.0
85.01115	1.4
85.06501	2.4
86.09706	3.3
86.99045	4.7
87.02670	1.6
87.66129	1.0
91.05478	9.8
93.07040	14.3
94.06538	1.6
94.55850	1.1
95.04950	4.6
95.08599	49.0
96.08152	1.1
96.08861	1.4
97.02886	1.7
97.06503	3.2
97.10137	1.2
98.20725	1.3
99.05533	2.2
101.05988	2.0
103.33804	1.1
105.07033	13.1
107.08587	8.9
108.08119	1.6
109.06507	6.0
109.10149	36.7
111.08092	2.5
111.11630	1.2
113.04204	2.7
116.01669	24.8
117.07014	3.0
119.08560	13.7
121.10139	8.9
123.08033	6.5
127.03974	1.1
127.05698	1.4
129.06522	5.6
130.04956	6.1
130.06799	3.8
130.08618	1.1
131.08522	2.2
133.10115	5.7
134.09656	5.6
135.11636	1.8
137.09572	4.8
139.05775	1.7
141.07339	1.6
142.03186	5.8
144.01135	12.3
145.06058	2.4
145.10124	2.4
151.05621	1.0
151.14813	28.9
157.10068	2.5
161.09583	1.6
161.13239	11.1
162.02190	44.4
170.02672	3.5
173.13208	1.2
175.14824	2.1
176.14339	2.3
177.15111	1.7
178.15843	1.2
179.04842	100.0
179.14296	46.5
180.14633	1.2
187.05316	4.3
203.14313	2.3
216.06836	2.4
233.05904	19.6
233.09448	1.8
236.14648	2.6
237.13120	2.7
245.05827	2.7
254.15779	1.7
290.17529	1.1
291.06439	2.7
308.09091	9.1
321.07532	2.1
339.17380	23.0
340.15512	1.4
357.18372	3.1
365.18646	1.3
411.19473	24.4
468.21683	7.0
486.23041	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	486.2266
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	1.6
55.01866	1.9
55.05509	14.1
56.05012	2.2
57.03424	4.9
57.07058	2.3
58.99568	9.9
59.04991	2.1
65.03922	2.1
67.05498	29.8
68.05830	1.5
69.03416	4.1
69.07060	15.5
69.77225	5.6
69.77639	2.9
70.02953	1.6
70.06581	4.5
70.07390	1.2
71.04974	4.8
72.08144	3.3
72.48312	1.0
76.02223	52.5
76.04015	1.7
79.05479	17.9
81.03389	6.2
81.07049	36.5
82.07378	1.5
83.04984	6.3
83.06090	6.3
83.08616	5.3
84.04492	23.5
84.08119	1.8
85.02875	2.4
85.06532	2.8
86.09674	2.3
86.99040	4.7
87.02665	2.1
87.95569	1.2
88.02233	1.5
91.05479	13.9
93.07033	18.4
95.04963	7.7
95.08596	71.1
96.08902	2.7
97.06519	2.5
97.10160	1.9
99.04448	1.2
99.05573	2.3
101.21239	1.1
102.05540	2.6
105.07024	20.4
107.08580	22.1
108.08100	2.7
108.08902	2.3
109.02834	1.9
109.06500	13.1
109.10153	31.7
110.10451	1.8
111.08083	7.4
113.04235	1.9
116.01669	17.7
117.07001	2.6
119.04881	1.0
119.08572	22.8
121.06505	1.2
121.10134	14.4
123.08051	19.9
123.11704	4.8
125.09627	2.3
129.06522	7.3
130.04988	8.3
130.06853	4.2
130.08575	1.2
131.08578	3.0
133.10120	11.3
135.08043	1.6
135.11626	6.6
137.09610	11.1
137.13246	3.1
139.11201	1.3
142.03217	6.1
143.08472	1.3
144.01137	11.5
145.06104	7.0
145.10109	1.7
147.11650	4.3
148.06044	2.0
149.13252	7.3
150.13573	1.5
151.14815	16.6
157.10121	1.9
159.11665	2.1
161.13257	42.2
162.02196	34.3
162.13547	1.4
163.11275	1.3
165.09145	2.0
170.02716	1.9
177.12723	7.3
179.04839	63.4
179.14293	100.0
180.14601	1.5
187.05353	4.6
193.10519	1.3
211.11476	9.3
215.05023	1.4
219.11987	4.5
230.12450	1.2
233.05881	19.8
233.09589	2.7
236.14685	6.6
237.12915	2.3
245.05946	3.1
254.15721	3.9
267.06616	2.2
278.25525	1.9
290.17517	4.7
291.06503	1.9
294.08386	1.9
306.25174	5.6
308.09061	24.6
322.07797	3.9
328.18164	1.1
339.17337	8.1
357.18555	2.6
364.08841	2.4
407.19354	1.3
411.19446	24.2
468.10315	2.1
468.21631	5.8
468.29584	1.1
486.22781	3.2
486.30109	1.5
487.21484	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	485.3623
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	21.9
56.69694	4.6
57.07058	8.1
64.33601	3.9
67.05499	15.6
69.03427	4.2
69.07049	27.0
70.37143	16.5
79.05479	18.1
79.60347	4.3
81.07051	49.8
83.08593	10.5
87.42648	3.9
91.05450	36.1
93.07041	47.6
95.04977	5.3
95.08598	79.8
97.06501	6.2
101.73225	4.6
105.07021	64.9
107.08583	86.3
109.10152	38.6
117.07028	9.5
117.28161	3.9
119.08575	69.8
121.10135	41.5
123.08057	5.5
123.11689	11.8
125.09612	14.4
128.06221	7.8
129.06993	9.8
131.08553	26.3
133.10120	89.1
135.11688	20.3
141.06963	5.0
142.07782	10.8
143.08549	42.0
145.10109	80.0
147.11664	54.2
149.13239	11.3
155.08546	15.9
156.09288	6.1
157.10121	49.4
159.11681	44.6
161.09552	10.5
161.13202	25.0
163.14799	7.0
169.10133	11.0
170.10945	6.2
171.11731	25.5
173.13237	30.2
175.11172	6.7
175.14810	23.8
177.16411	7.6
183.11734	15.2
185.13257	100.0
185.14832	3.7
187.14832	47.0
189.16386	46.5
191.14296	6.1
197.13277	13.2
199.14809	60.8
201.16391	31.7
203.14328	8.1
203.17993	29.6
205.15836	9.7
211.14804	17.2
213.16367	16.0
215.17883	5.7
217.15869	34.0
217.19371	5.8
221.15280	5.7
221.25978	4.2
223.14899	6.0
225.16327	12.1
229.15785	9.0
231.17488	16.0
237.16319	9.6
239.18008	8.4
251.17969	7.5
253.19576	6.7
261.18512	6.1
281.22690	5.8
293.22653	23.0
311.23703	33.7
325.92236	3.9
329.24744	6.4
331.53839	4.3
389.32108	7.8
407.33057	13.5
409.79404	4.5
435.32739	10.9
449.34180	27.4
467.35156	6.3
485.36420	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	485.3259
Annotation	Sodwanone B
Peak:m/z	Relative Intensity
54.16108	1.3
55.01872	3.4
55.05490	1.3
57.07071	4.8
65.40934	1.1
67.05497	2.1
69.07068	10.2
77.26302	1.4
77.72226	1.5
79.05466	3.3
81.07059	10.2
88.07629	2.1
91.05471	4.0
93.07046	4.9
95.08613	2.2
105.07010	4.1
107.04951	1.7
107.08601	6.6
109.10164	4.5
117.07030	1.7
119.08582	3.1
121.06478	7.5
121.10160	2.4
123.08042	1.4
123.11700	27.1
133.06448	2.3
133.10129	3.2
135.04391	8.2
135.08017	8.8
135.11667	7.6
147.08064	7.8
150.99327	1.2
151.03903	5.5
157.06483	4.2
161.05960	15.1
163.03888	27.3
175.03934	1.4
175.07533	19.4
176.41124	1.4
177.05495	4.4
181.04951	20.3
185.05986	2.5
191.07068	3.0
200.20117	1.7
201.09134	1.7
201.20493	1.6
203.07016	100.0
207.10223	2.1
209.08139	3.9
217.08643	2.1
219.10155	82.8
220.10414	1.4
221.08078	68.1
259.13336	6.4
267.13803	3.7
273.14835	2.5
275.12924	3.9
275.16348	24.3
277.14349	49.4
283.26315	1.7
285.14819	14.1
307.16818	1.4
325.18152	3.0
341.21091	35.8
341.25082	2.5
343.19022	73.1
344.19540	1.7
345.20596	9.2
348.14969	1.5
350.36334	1.7
358.87607	1.4
359.22195	4.7
361.19989	8.0
399.25317	2.3
411.25192	5.0
416.62564	1.6
484.47144	2.3
485.47546	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	485.3108
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	4.1
55.01852	2.2
55.05505	19.5
55.80427	1.0
57.03414	1.6
57.07060	4.4
59.04980	1.4
62.14544	0.9
65.03918	1.8
65.48247	0.8
67.05501	20.7
68.99799	1.3
69.03417	6.7
69.07064	28.3
69.63953	7.8
70.06586	4.6
71.01347	1.1
71.04986	4.9
71.08642	1.1
72.08150	1.5
79.05487	14.9
80.24120	0.9
81.03410	21.4
81.07047	68.3
82.07385	1.3
83.04970	12.8
83.08612	7.9
84.08118	1.2
85.02901	4.9
85.06528	5.5
86.09688	1.1
91.05470	13.6
92.05779	1.6
92.99770	1.2
93.06435	1.3
93.07033	29.6
95.04977	9.5
95.08598	49.5
97.02877	3.9
97.06510	6.9
97.10164	15.4
98.21427	2.0
99.04469	5.3
99.08086	2.6
101.05984	0.9
103.05445	1.5
105.03392	6.1
105.07019	21.3
107.08583	37.7
109.02866	14.6
109.06506	7.1
109.10145	30.0
111.08065	7.0
111.11700	4.2
117.07003	2.4
119.04945	1.5
119.08562	20.4
120.08112	1.2
121.06479	2.6
121.10135	23.5
122.06027	1.1
123.08046	2.5
123.11688	36.8
125.05988	1.3
125.09624	5.9
127.03873	3.5
128.06128	1.3
129.03395	1.5
129.06973	1.4
131.04904	1.1
131.08563	4.5
133.10112	18.0
135.08046	1.1
135.11694	16.0
137.05940	2.1
137.09598	6.9
137.13266	5.7
139.11163	9.3
141.01778	3.1
143.08548	2.1
143.10565	1.4
145.10120	6.3
147.04391	2.4
147.08031	1.1
147.11679	14.5
149.09628	1.7
149.13239	23.9
151.07489	1.6
151.11166	4.2
151.14731	1.8
153.12743	3.3
157.10118	3.8
157.12187	5.2
159.08000	1.5
159.11676	8.1
161.13268	9.0
163.11171	3.0
163.14801	6.0
164.09286	1.0
165.01834	11.7
165.09091	4.1
165.12726	5.9
165.16441	1.3
171.11665	1.7
173.13188	3.6
175.07516	2.6
175.14783	4.8
176.96051	1.1
177.12794	2.7
177.16345	5.2
179.14278	2.2
181.12195	1.1
183.02908	8.5
183.13815	1.0
187.14807	2.4
189.16393	8.8
191.14339	1.6
191.17979	1.5
193.15878	1.5
195.13715	1.2
199.14769	1.7
201.16460	1.5
203.10631	1.0
203.12730	1.8
203.17941	3.0
205.15909	2.3
207.02937	1.1
213.16347	2.1
219.17511	1.7
229.19394	1.2
235.16812	1.4
237.18448	2.4
249.18507	1.1
251.06879	1.2
255.06461	2.7
257.04370	1.8
259.24222	5.6
261.04007	1.4
265.08621	2.2
267.06494	100.0
268.06873	10.5
269.22678	3.5
277.08618	2.3
277.25253	10.7
279.06381	3.4
281.08112	1.3
287.23569	7.8
289.08508	2.9
291.06580	1.5
292.07098	1.3
293.04385	2.7
293.08057	5.5
295.05994	1.5
305.08115	4.8
305.24731	30.7
306.25348	1.1
307.09622	3.7
317.08084	3.2
321.07495	5.5
323.25894	1.8
329.15823	4.9
333.07541	65.1
334.07861	7.6
345.07559	12.5
346.07901	2.3
351.08621	5.4
363.08575	8.6
381.09561	8.2
382.09964	1.4
432.63312	1.2
449.29056	1.6
455.29895	1.3
467.10062	1.6
467.21210	1.0
467.30164	5.7
485.10660	2.0
485.20578	1.0
485.30630	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	485.2379
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	6.3
55.01859	9.4
55.05502	22.1
56.05021	2.2
57.03428	9.0
57.07066	3.7
61.02908	3.8
61.11329	2.2
65.72501	2.3
67.05505	26.2
68.99758	5.3
69.03423	26.3
69.07053	27.9
69.64883	19.1
70.04076	4.0
70.06579	8.5
71.04977	34.5
71.08624	3.3
72.08137	4.0
73.02894	4.2
76.02210	3.0
78.86565	2.5
79.05482	20.4
81.03408	31.0
81.06608	4.1
81.07049	53.3
82.00010	2.5
83.04961	7.1
83.08607	11.9
83.18250	2.5
85.02895	38.3
85.06523	4.4
86.09692	2.3
87.00814	11.2
91.05470	27.9
93.07038	35.8
95.04954	10.2
95.08594	41.6
97.02878	13.6
97.06491	9.9
97.10153	7.8
99.04426	10.9
99.08076	7.7
99.42416	2.7
103.05500	2.5
105.01855	8.5
105.07013	47.9
107.04962	4.4
107.08578	34.7
109.02868	20.3
109.06490	20.7
109.10148	36.1
111.04417	3.3
111.08058	9.4
111.11709	4.9
115.03889	2.5
115.05447	2.4
115.84031	2.5
116.01654	5.7
117.06995	9.1
119.08557	37.1
121.06486	4.8
121.10126	22.3
123.04369	3.3
123.08042	11.6
123.11691	17.6
125.09603	13.7
127.03907	21.4
127.07525	2.9
127.11179	52.2
128.06200	3.4
129.01834	5.2
129.06985	3.8
131.08556	18.8
133.06468	3.0
133.10112	100.0
135.08028	3.8
135.11656	12.5
137.05919	3.9
137.09578	9.7
137.13199	4.0
139.11174	8.8
141.43274	2.2
142.07762	3.6
143.08571	5.3
143.10597	4.2
144.89581	2.6
145.04901	5.2
145.06477	3.4
145.10098	27.5
147.02809	3.8
147.08047	6.6
147.11711	14.9
149.09554	6.8
149.13206	14.6
151.11176	21.8
155.08524	3.5
155.10631	33.5
157.10097	5.2
157.12172	3.1
159.02873	8.5
159.08128	2.8
159.11687	15.2
161.09601	13.3
161.13222	6.0
163.11182	6.3
163.14703	4.6
165.09097	7.6
165.54594	2.7
167.10632	2.8
167.14293	2.8
169.10085	4.1
171.11671	4.5
173.09663	4.8
173.13225	4.4
175.07536	17.9
175.11194	9.3
175.14786	5.8
177.12732	6.0
179.10651	6.8
181.12299	3.2
183.11697	2.7
187.11107	3.1
189.03328	4.4
189.16380	3.3
191.14322	3.7
193.12297	3.7
197.13210	2.8
201.16394	18.1
209.18993	3.3
213.16406	3.9
215.18098	3.0
219.17378	7.3
237.18364	11.4
245.22612	4.2
249.18623	3.9
261.18390	6.0
263.16510	3.6
287.23648	7.3
289.17960	3.8
297.09598	3.0
305.24725	16.4
323.25745	6.3
326.00729	2.8
335.14651	2.4
449.21490	4.1
449.28275	3.4
456.30927	2.4
467.22260	7.5
467.29675	5.1
485.23038	24.7
485.30243	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	485.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96003	1.1
69.03398	1.9
70.06583	81.1
70.52268	4.6
77.14176	1.1
84.04487	2.2
84.08123	3.0
85.02867	1.3
98.20673	1.3
103.05444	2.0
105.75993	1.2
110.07158	4.6
110.19762	1.2
112.07592	71.2
116.07082	12.9
118.35468	1.2
120.08092	22.4
121.08427	2.2
140.07039	17.6
147.04402	2.0
158.08113	100.0
159.08389	2.0
166.08630	9.8
212.07458	2.8
302.12314	6.2
485.16953	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.238
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	9.0
55.01863	7.2
55.05505	24.2
57.03423	6.8
57.07068	6.1
59.04992	3.9
61.02920	3.7
64.90182	1.8
65.03957	1.9
67.05495	26.4
68.99793	4.1
69.03423	29.1
69.07053	32.4
69.53351	14.6
70.06581	5.3
71.04979	28.6
71.08607	2.5
72.08139	1.7
73.02911	4.7
73.06549	1.8
76.02222	2.8
79.05489	24.3
81.03407	37.2
81.07044	70.9
83.01295	2.0
83.04962	8.7
83.08605	12.0
84.04500	3.3
84.08138	3.1
85.02894	44.8
85.06530	5.1
86.09703	1.6
87.00809	15.0
91.05473	29.2
93.07037	33.5
95.04963	11.4
95.08594	52.6
97.02884	14.8
97.06541	8.1
97.10163	14.9
99.04428	12.9
99.08096	6.7
101.29224	1.6
103.05436	1.8
105.01867	11.0
105.07018	54.7
107.04962	3.4
107.08581	43.8
109.02867	30.2
109.03548	2.8
109.06487	17.9
109.10138	39.6
111.04460	2.0
111.08083	6.2
111.11678	2.5
115.05499	2.0
116.01677	2.9
117.01871	2.6
117.07025	6.7
119.08565	31.1
121.06452	3.1
121.10132	25.0
123.04424	2.4
123.08073	6.9
123.11695	41.2
125.06040	1.7
125.09586	7.8
125.99919	1.7
127.03907	30.6
127.07555	2.9
127.11180	38.1
129.01884	2.6
131.08571	18.8
133.06427	2.1
133.10114	100.0
134.10513	2.0
135.08064	5.9
135.11664	10.0
137.05928	3.2
137.09615	6.8
137.13272	6.2
137.95749	1.6
139.11165	13.3
143.08565	5.4
143.10677	6.3
145.04971	8.6
145.10110	25.7
147.08099	4.4
147.11661	16.2
149.09625	6.5
149.13255	14.9
151.11157	25.8
151.12282	2.4
151.14839	2.1
153.12660	3.2
155.08624	2.7
155.10674	20.4
157.10107	6.5
157.12236	4.4
159.02893	10.7
159.08083	2.0
159.11674	13.5
161.09630	6.5
161.13217	10.1
162.02145	2.3
163.11218	4.6
163.14833	6.1
165.09117	6.2
165.12788	3.3
165.16370	2.3
171.11665	3.4
173.09673	2.7
173.13239	5.9
175.07584	1.9
175.11279	4.9
175.14815	4.2
177.12854	2.3
177.16425	2.3
179.04828	2.5
189.16299	3.9
191.14322	3.6
191.18005	2.7
193.12238	2.2
193.15924	1.8
197.13289	2.4
201.16339	23.5
203.17950	2.2
205.15810	1.9
207.17575	2.1
217.15921	2.3
219.17403	9.9
231.05023	3.5
235.17029	3.6
237.18474	10.6
249.18506	2.4
259.24188	2.8
261.18335	3.3
277.25266	4.9
287.23706	4.2
305.24698	24.3
314.19626	1.6
323.25647	2.9
329.15930	6.2
339.17328	3.5
431.27615	1.8
449.27902	2.5
467.22293	2.3
467.30292	3.8
485.23135	10.8
485.30991	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	485.1399
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17208	0.9
53.03942	10.4
55.01871	1.5
57.03423	1.4
61.02908	1.5
65.61799	0.8
67.01859	3.0
68.99786	3.8
69.03043	1.2
69.03423	22.3
70.00858	1.9
70.01271	5.1
70.06577	1.8
71.04995	4.3
73.02907	2.2
73.86548	0.8
80.91526	1.0
81.03409	29.1
83.01315	1.1
85.02896	10.0
86.09690	1.8
87.00328	1.3
87.00826	17.6
97.02882	43.4
99.04434	8.8
105.01851	12.9
109.02865	47.6
114.43315	1.0
116.04964	10.6
117.01875	1.2
127.03904	100.0
128.04251	2.1
129.01877	0.9
137.05959	3.8
145.04948	4.8
153.01816	1.2
159.02861	6.6
188.50645	1.2
195.02881	1.4
197.77621	0.9
213.03935	14.2
231.04973	17.2
291.10294	1.1
299.03961	2.8
317.05060	8.3
321.12302	1.2
361.59369	0.9
485.19006	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.165
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.8
55.01854	2.0
57.03432	2.1
61.02909	1.5
68.99771	1.3
69.03419	11.9
69.07053	0.8
70.06575	3.8
70.12672	2.3
71.04977	1.6
72.08133	2.5
73.02909	2.1
75.04450	1.0
81.03410	11.3
83.06094	0.5
84.04489	0.7
84.08125	1.9
85.02895	18.8
86.09691	1.7
87.00816	8.0
91.05476	1.5
95.04979	1.2
97.02881	6.6
97.73393	0.4
99.04446	5.1
102.04685	0.9
103.05455	53.7
104.05754	0.7
105.01867	5.3
105.04503	0.5
105.07009	1.0
107.04909	0.5
109.02869	10.1
110.07127	0.7
114.05508	0.6
115.05517	0.5
117.01853	1.0
118.06535	1.0
120.08090	0.7
127.03004	0.9
127.03903	15.2
129.01854	1.5
129.03389	0.4
129.06902	0.4
129.10248	1.3
130.04134	0.8
131.04910	100.0
132.05237	1.7
133.06477	1.4
136.07535	1.2
137.02332	0.8
137.05945	1.7
145.04962	3.9
145.06493	1.2
146.06004	3.2
146.06963	0.6
147.02844	1.2
147.04402	0.8
148.05167	9.5
159.02847	4.6
160.05206	0.6
161.05927	4.2
162.06728	1.0
163.07524	52.7
164.07898	1.0
165.05591	0.5
173.05933	0.5
175.07536	2.4
181.91978	0.4
187.07491	1.0
189.03911	0.8
201.09125	2.1
204.07817	0.5
205.08551	1.4
213.03906	0.6
217.09758	1.2
219.10161	1.2
231.04887	2.1
237.11203	5.4
275.11743	0.4
333.09583	0.5
337.07104	0.9
342.93661	0.4
425.14685	0.7
449.08743	0.8
467.09689	0.8
485.14484	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	485.1075
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	1.9
55.05486	2.2
55.14222	0.6
56.96588	0.7
57.07053	0.8
61.02897	1.6
67.05477	2.9
69.03413	2.1
69.07063	1.9
70.06573	4.3
71.02598	0.8
71.02918	1.5
71.04960	0.8
72.08134	2.2
76.48122	0.7
79.05470	2.5
81.03397	3.0
81.07046	5.8
83.01355	0.9
83.04982	1.0
83.08603	1.1
84.08127	2.4
85.02897	4.4
85.06548	0.8
85.07652	2.5
86.09678	2.0
87.04448	1.1
91.05483	3.5
93.03353	1.2
93.07040	3.9
94.00175	0.9
95.04953	1.8
95.08597	5.6
97.02894	1.5
97.10141	1.6
103.03902	0.9
105.01821	0.8
105.03381	1.5
105.07014	3.7
107.04950	1.6
107.08580	3.5
109.02850	2.6
109.06547	0.8
109.10125	3.2
110.07145	1.0
110.60049	0.7
111.08068	0.8
119.04929	4.3
119.08559	2.0
120.08109	0.9
121.02845	10.8
121.10109	3.2
123.11704	1.4
125.09589	1.2
127.03898	1.6
131.04906	0.9
131.08537	1.2
133.06450	1.1
133.10089	2.1
135.06873	0.8
135.11691	1.2
136.07487	1.0
137.02382	0.9
137.05911	1.4
137.09569	0.9
137.13229	0.9
138.19435	0.6
145.02844	3.5
145.10089	1.5
147.04399	1.6
147.11691	0.9
149.09602	1.2
149.13240	1.9
151.11139	0.9
161.02347	2.3
161.13216	1.2
165.09090	0.9
173.02328	5.3
175.03864	1.4
187.03888	3.3
189.01808	3.7
189.05226	0.8
189.09000	0.8
191.03378	4.8
201.01804	3.8
201.05493	1.2
201.16406	1.0
205.04933	1.6
207.02904	4.0
211.03842	0.8
215.03387	3.9
217.01357	3.5
219.02841	8.9
229.01353	7.8
229.04945	1.3
231.02950	1.1
233.04456	1.5
235.02281	7.3
237.14702	0.8
239.03380	1.3
243.02873	14.2
247.02347	16.5
255.02963	0.8
257.04456	6.8
266.05722	0.8
267.02908	0.9
280.07172	1.1
287.23358	0.9
291.06390	1.1
294.05103	3.2
295.02426	2.3
305.21234	1.0
305.24542	1.7
307.05988	6.6
308.06717	4.5
312.45087	0.8
313.03488	1.9
319.05963	7.9
322.04672	1.6
333.07568	5.6
335.05435	44.6
336.06024	6.0
347.05438	12.3
349.07050	2.4
357.07501	2.3
360.06180	1.8
361.07001	23.4
362.07037	0.8
363.08896	0.9
365.06519	100.0
366.06833	5.5
373.07141	1.4
375.08588	14.6
376.08636	1.0
385.07019	1.8
389.06497	41.9
390.06754	1.6
401.06500	2.8
403.08041	2.6
413.06506	10.2
419.07626	7.2
431.07571	42.3
432.07880	1.6
449.08737	4.9
453.25647	0.9
467.09695	1.8
484.28680	1.2
485.10419	1.1
485.23270	4.8
485.29684	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	484.3842
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00301	0.8
55.05500	1.4
57.07071	52.0
59.04715	1.2
59.04996	15.7
60.97488	0.8
67.05476	1.2
69.07056	3.3
70.15260	4.0
71.08625	100.0
73.06544	2.1
74.06042	1.1
79.05451	1.0
83.08607	0.9
85.10174	53.6
87.04449	3.0
89.06023	76.8
91.05463	1.1
97.10192	1.1
101.87611	0.9
103.07606	4.2
105.07055	1.0
107.07045	2.7
117.09094	1.0
127.14817	6.4
130.08607	2.1
131.07033	1.8
133.08598	46.2
151.09648	1.0
161.96539	0.8
175.09697	1.3
177.11209	24.7
182.48782	1.0
185.19032	8.5
195.12236	2.0
221.13704	1.2
229.21576	3.9
239.14842	3.0
265.16403	1.3
283.17480	24.9
313.27423	1.3
323.20828	0.9
327.20090	2.4
341.21616	2.1
467.35712	5.0
484.37692	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.3844
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05493	3.2
57.06800	1.7
57.07072	31.2
59.04979	1.6
61.99968	0.9
69.07043	2.7
70.24534	2.0
70.24927	2.2
71.08624	35.2
73.06548	7.0
74.06064	1.5
81.57208	0.8
83.08594	4.6
85.09677	1.8
85.10173	30.4
87.04462	3.6
89.06025	100.0
91.05443	1.6
95.08591	1.0
97.10163	1.5
99.11719	3.4
106.00667	1.1
107.07066	5.0
107.08571	1.0
117.09115	4.1
127.14817	2.0
130.08633	2.9
133.08592	53.2
141.16341	5.7
165.80116	1.0
177.11220	19.6
185.18983	4.0
186.16034	0.9
195.12247	1.5
199.61884	1.0
221.13873	2.7
226.21664	2.4
229.21642	9.2
239.14882	1.6
240.92194	0.9
273.24289	5.1
283.17374	5.4
312.26233	1.8
327.20056	8.0
358.41891	1.0
379.30377	1.5
423.33084	1.1
467.35736	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	484.1811
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53266	0.2
53.03945	0.5
55.05503	0.6
56.05022	0.3
60.04517	0.4
65.03939	0.6
66.47456	0.2
69.03412	1.3
70.06583	3.0
71.04993	0.8
71.75757	0.4
71.76125	0.3
72.08150	18.6
73.02908	0.4
73.06535	0.4
79.05497	0.3
81.03413	1.6
83.06106	0.3
84.04489	0.8
84.08144	1.6
85.02895	2.5
86.09696	1.7
87.00819	0.6
88.03978	0.3
90.09188	4.6
91.05465	4.1
95.06122	0.3
97.02885	0.4
99.04472	0.4
100.92310	0.2
102.05553	0.4
109.02863	0.7
110.07164	0.8
116.04971	0.4
119.04935	14.5
120.08035	0.6
127.03899	0.8
129.10208	0.7
137.05959	0.5
145.04976	0.3
147.04395	100.0
148.04736	1.8
159.02866	0.4
176.08954	0.5
202.66537	0.3
204.08597	0.3
218.11815	0.6
236.12796	38.3
237.13126	0.7
275.63068	0.3
317.07321	0.3
338.14249	1.1
353.08972	0.3
454.27548	0.3
484.14481	0.6
484.20996	0.4
484.31357	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.1812
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96828	0.1
54.41752	0.1
60.04513	0.2
65.03918	0.9
69.03416	0.6
70.06577	1.2
71.50675	0.3
72.08145	6.3
72.08549	0.3
73.06567	0.2
74.13096	0.1
81.03416	0.6
81.79035	0.1
82.06599	0.3
84.04514	0.3
84.08147	0.3
85.02895	1.0
86.09717	0.6
87.00841	0.2
88.58662	0.1
90.09212	0.3
91.05470	7.2
92.07412	0.1
97.02882	0.5
99.04528	0.2
100.08997	0.2
100.11268	0.2
103.05453	0.4
105.01872	0.3
107.04994	0.2
109.02850	1.0
114.05461	0.2
119.04930	19.8
120.08082	0.2
121.06551	0.2
127.03889	1.1
128.07094	0.3
129.10214	0.2
131.04892	1.2
145.04948	0.5
146.06012	0.2
147.04391	100.0
148.04738	1.1
159.02849	0.3
163.07561	0.7
173.11792	0.2
187.07518	0.4
191.08110	0.2
203.07022	0.2
211.07268	0.2
213.03778	0.3
213.05544	0.3
218.29710	0.2
227.06909	0.2
231.06590	3.6
236.12866	0.7
249.06097	0.2
255.06541	0.5
273.07617	0.8
282.87772	0.1
322.17523	0.2
359.07077	0.2
377.08542	0.3
395.09753	1.1
413.10822	1.6
436.40881	0.2
484.17804	1.9
484.38049	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.3637
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07068	100.0
59.04998	32.8
66.88705	3.0
70.06593	3.9
71.08623	78.5
72.05776	4.9
74.05723	3.1
79.65620	3.3
85.10173	63.2
85.43854	4.5
87.04438	5.0
89.06016	9.8
90.01914	15.8
90.75256	3.7
97.10162	4.9
99.11720	15.3
113.13214	5.1
117.09104	10.4
133.08540	3.9
155.17976	8.6
213.22102	8.5
222.41333	3.5
232.66814	3.4
271.26184	6.8
483.36868	5.7
484.47079	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2952
Annotation	Fusicoccin H
Peak:m/z	Relative Intensity
53.03941	6.6
54.57394	1.2
55.01851	2.5
55.05507	41.9
56.05013	1.4
57.03413	4.7
57.07064	7.0
59.04977	1.4
60.23454	1.1
61.25403	1.2
65.03925	3.9
67.05499	44.6
67.27726	1.1
67.63316	1.3
69.03420	13.7
69.07060	29.6
70.06578	4.7
71.04980	8.2
71.07366	1.4
71.40343	3.0
72.08125	2.1
73.06539	1.4
77.03912	1.8
79.05481	16.6
81.02940	2.5
81.03410	48.4
81.07048	67.2
82.07376	1.4
83.04955	4.8
83.08614	6.3
84.04486	1.3
84.08114	2.4
85.02443	1.5
85.02895	7.8
85.03313	1.4
85.06532	7.1
86.09700	3.5
87.00807	1.3
87.04443	1.5
91.05473	17.8
92.18779	1.3
93.07037	37.9
93.12458	1.3
94.81843	1.3
95.04961	71.2
95.08598	100.0
96.08919	1.6
97.02872	3.4
97.06525	9.3
97.10161	53.0
99.04430	9.1
99.08059	3.1
104.10746	1.8
105.07024	36.2
107.04941	2.3
107.08590	34.9
109.02177	1.9
109.02876	35.6
109.03613	2.3
109.06507	16.6
109.10142	28.5
111.08082	3.3
111.11701	2.4
113.09591	2.0
117.06995	3.9
119.08575	32.1
121.06513	7.9
121.10129	29.3
123.08059	22.4
123.11687	27.7
124.99983	1.8
125.05937	1.5
125.09618	15.7
127.03876	9.1
127.11150	1.4
128.06248	1.5
129.07022	3.1
131.08565	8.6
133.10120	22.1
135.08043	10.3
135.11687	18.4
137.09595	10.4
137.13234	6.8
139.11191	12.1
141.09091	17.8
143.08575	3.1
143.10670	14.0
145.04942	2.6
145.10106	15.2
147.08022	1.9
147.11679	23.7
149.06049	1.6
149.09590	7.4
149.13219	9.6
151.07530	23.0
151.11166	4.6
153.09032	1.8
155.08583	1.5
155.10660	2.1
156.09103	1.5
157.10101	6.3
157.12250	3.2
159.11699	21.3
161.09607	3.1
161.13252	19.0
163.11143	11.7
163.14830	5.5
165.09105	5.8
165.12773	9.8
169.08611	3.5
169.10046	2.5
171.10164	3.3
171.11725	3.9
173.09570	1.6
173.13219	9.7
175.11179	5.5
175.13449	1.4
175.14745	6.9
177.12759	11.2
179.10735	1.5
179.14294	9.8
181.12196	1.5
184.07327	5.8
185.13271	2.7
187.09637	1.3
187.11215	1.8
187.13254	2.0
187.14822	16.6
189.11220	5.5
189.12738	2.3
189.16376	5.0
191.14319	2.6
193.15846	2.7
197.13423	1.3
199.14821	2.2
201.16376	5.6
203.12643	1.8
203.14345	2.9
203.17873	1.4
205.15855	11.5
207.13728	1.9
211.14847	2.9
215.17992	1.6
217.15826	3.5
219.17479	4.9
221.15514	1.5
225.16374	1.8
227.17920	1.5
229.15897	2.5
229.19582	2.4
233.15303	2.5
235.16948	3.8
243.21057	1.5
247.16901	1.3
257.22635	5.4
261.18878	1.2
267.21085	4.9
275.23703	13.4
285.13495	1.8
285.16791	1.8
285.22186	10.8
286.17236	2.4
303.23163	51.2
304.23260	1.9
313.12848	9.9
314.87891	1.2
315.14288	6.3
321.24203	5.5
329.15973	4.0
331.13773	2.3
465.28458	10.8
483.29495	92.7
484.29590	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2798
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53067	1.2
53.03933	1.7
55.05501	3.8
55.59859	1.2
56.05013	2.0
60.04517	1.8
61.01138	1.9
61.02902	2.8
67.05242	1.1
67.05503	11.5
69.03420	5.8
69.07063	2.4
69.80785	8.1
70.06594	14.2
71.04984	8.4
72.08142	5.6
74.06097	1.4
76.64135	1.2
79.05467	5.3
81.03394	3.4
81.07053	21.4
83.04989	3.1
83.08626	2.1
84.04497	3.0
84.08125	8.5
85.02884	10.3
85.06547	9.9
86.09682	9.7
87.04465	4.2
91.05479	6.1
91.91164	1.4
93.07021	7.5
95.04968	2.7
95.08592	14.8
97.02914	3.1
97.06535	3.0
98.06053	2.9
99.04430	1.9
99.08078	2.2
104.05315	2.7
105.07001	4.6
107.04925	1.3
107.08603	6.8
109.02846	2.3
109.06520	2.8
109.10164	8.5
110.07143	3.2
111.08061	1.6
119.08562	4.4
120.08086	3.5
121.06571	1.4
121.10148	7.9
123.08035	2.4
123.11707	2.2
127.03941	1.9
129.10257	1.4
129.13936	1.7
129.46353	1.5
131.08542	2.5
133.10118	2.6
134.09685	1.8
135.11682	4.3
136.07587	2.9
137.05945	3.0
137.09639	2.1
138.09085	1.4
144.08044	1.4
145.06151	1.3
145.10118	2.5
146.06178	1.5
147.07951	2.1
147.11656	2.2
149.13312	1.8
151.11084	1.9
152.07053	1.8
157.10060	1.7
159.08040	1.3
159.11678	1.3
161.13217	2.5
162.09233	1.4
163.11151	2.7
170.56924	1.6
175.03751	1.3
178.77611	1.3
179.09442	2.0
184.07373	2.5
185.04182	1.9
185.13188	1.4
192.32886	1.2
199.08760	1.4
203.17976	4.2
207.13707	1.4
221.18976	2.4
223.13307	1.8
230.27074	1.3
239.20064	3.7
243.11261	1.8
249.18501	1.4
257.12823	1.3
264.15787	1.9
267.19617	5.1
273.12415	2.3
283.10992	1.6
285.20673	20.2
287.13794	2.4
303.13361	5.5
303.19482	4.3
306.16885	8.1
315.13254	6.3
331.09973	8.8
339.05539	2.1
348.62045	1.5
351.13461	2.1
352.14056	1.7
381.14398	9.5
399.10205	1.7
399.20172	1.9
411.15399	4.6
429.16501	3.3
432.35187	1.3
447.17569	19.2
465.18256	6.3
483.14700	100.0
483.21857	7.7
484.14975	5.5
484.21719	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	483.2737
Annotation	Strychnofoline
Peak:m/z	Relative Intensity
50.10233	0.7
51.02349	0.8
51.92142	0.8
52.31265	0.8
53.03937	2.0
55.01845	1.6
55.05517	1.5
56.34393	0.7
56.88598	0.8
59.72922	0.7
67.05499	1.5
69.07064	4.5
77.16004	0.8
81.07043	3.7
83.01318	2.0
91.05489	2.0
93.07031	2.6
95.04963	4.0
95.08614	1.5
105.03382	42.0
107.08593	2.9
109.06509	1.1
123.04453	1.1
123.11702	10.8
128.72952	0.9
135.11679	3.9
137.02350	2.9
141.01859	2.6
145.10223	0.8
145.33366	1.0
151.03912	4.6
155.03409	2.4
165.05466	10.1
167.03383	0.9
169.04990	1.4
179.03383	56.2
190.97081	0.8
193.06689	0.8
195.02979	1.0
197.04439	46.4
205.88428	0.9
221.11713	3.4
229.81192	0.9
245.08046	1.9
257.08072	100.0
287.16324	4.6
305.17429	1.6
325.14365	13.4
379.19025	21.1
391.18909	4.7
397.20126	4.0
492.43643	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2715
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12874	2.4
55.05508	21.3
55.29631	2.2
55.63318	2.2
57.03424	6.8
57.07072	28.5
59.04974	3.3
62.96304	2.7
67.05484	6.8
69.07057	28.9
69.27464	2.4
70.45347	10.3
71.08625	19.7
72.08136	16.4
73.02910	3.7
73.06535	2.6
79.05466	3.9
81.07043	8.8
83.08605	20.0
85.10179	16.2
87.04449	5.8
89.06031	25.7
93.07047	3.3
95.08582	4.9
97.10175	14.7
98.98473	12.6
121.10084	3.0
125.09634	2.7
133.08591	10.3
149.13187	3.0
155.01051	6.6
198.99026	2.9
213.18462	4.2
214.18816	4.9
237.22304	2.8
311.25787	100.0
314.27820	3.5
379.70712	2.9
447.25128	6.6
483.15482	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	483.2587
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12118	11.4
55.01861	23.7
55.05510	55.1
59.04991	64.0
61.71539	10.2
67.05508	92.3
69.03409	14.3
69.07061	44.4
69.67491	11.0
70.06589	27.2
70.44576	10.9
70.44920	51.6
71.04993	25.0
72.08155	14.4
79.05499	73.4
81.03391	21.0
81.07048	100.0
83.08608	46.8
85.06505	13.9
91.05480	78.6
93.07030	53.3
95.04984	23.1
95.08603	75.8
97.06532	23.5
97.10156	16.6
105.07024	53.7
107.04964	19.4
107.08564	48.3
109.06499	27.8
109.10146	43.2
111.04523	10.8
117.06982	17.4
117.09110	20.0
119.08575	42.0
121.06504	16.9
121.10123	40.3
123.11716	14.1
125.09665	11.8
127.12805	11.0
127.97363	12.5
129.07014	39.0
131.08582	26.7
133.10110	36.5
141.07007	22.9
143.08554	32.2
145.06456	23.7
145.10121	39.0
147.08061	20.5
147.11635	19.3
149.09618	17.6
154.07712	16.7
155.08513	22.0
157.06483	18.4
157.10167	22.1
159.08113	21.0
161.09552	14.6
163.03957	14.9
168.00151	12.4
169.06427	14.8
169.10081	15.7
173.06039	12.2
173.09509	12.8
173.13304	16.2
179.08546	14.4
181.10106	15.8
185.09575	12.1
187.07492	15.5
189.09042	21.3
197.09561	18.2
199.07506	11.9
199.11273	22.7
201.05338	17.5
201.09007	15.0
222.33397	11.9
227.10686	19.1
238.50006	12.5
241.12358	15.4
243.10095	14.4
285.15433	24.6
309.18402	23.1
327.19504	18.2
351.19470	40.1
355.18857	40.8
361.18231	13.2
367.19055	29.4
369.20599	38.6
379.18964	37.3
387.21890	20.2
397.20227	57.1
405.22940	14.2
415.21225	23.6
429.23065	13.4
448.27667	12.1
483.35010	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	483.22
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15718	0.6
53.03936	1.2
55.05499	2.5
62.45158	0.5
67.05504	3.0
69.03411	2.2
69.07053	2.5
69.45329	1.1
69.45731	4.9
70.06582	0.8
71.04977	0.9
71.37043	0.6
72.08173	0.6
79.05483	2.0
79.79718	0.5
81.03410	3.3
81.07047	6.5
83.04943	0.8
83.08567	0.9
84.07272	0.6
85.02904	1.5
91.05465	1.9
93.07029	3.4
95.04966	3.1
95.08588	5.7
97.02893	0.8
97.06514	1.4
97.10165	2.6
97.95330	0.5
98.20649	1.1
105.07045	3.2
107.04910	1.2
107.08583	5.1
109.02895	1.6
109.06496	1.4
109.10127	3.2
110.07040	0.6
111.08069	0.9
116.04758	0.6
119.01928	1.5
119.08599	3.0
121.02879	1.9
121.06445	0.7
121.10142	5.6
121.40892	0.5
123.08051	1.0
123.11694	2.1
125.09708	0.8
131.04924	0.8
131.08556	1.4
133.10139	1.9
135.08080	2.2
135.11682	2.4
137.06096	0.7
137.09669	0.7
145.10120	2.3
147.11678	1.4
149.09618	0.7
149.13228	1.1
159.11693	1.4
161.02950	1.8
161.13234	1.0
163.11171	0.7
166.22513	0.6
170.90469	0.6
180.27258	0.5
185.13272	0.7
187.00888	0.6
193.12206	0.7
201.09546	0.6
203.03445	2.5
203.05125	0.7
212.81308	0.6
227.05249	1.1
232.08995	0.8
245.06349	5.1
279.06662	0.9
285.22128	0.7
286.17358	1.4
287.03711	1.9
289.05289	26.6
289.08517	1.3
293.08218	0.9
303.23050	4.3
305.08234	0.8
306.67847	0.6
307.05963	1.2
308.06787	2.5
321.07632	5.2
322.08264	1.8
323.08765	0.9
333.07706	1.8
335.09131	1.3
337.07556	0.7
338.97900	0.7
347.09033	0.8
349.06995	1.9
351.08698	3.4
361.07178	1.3
363.08588	2.0
373.10410	0.6
375.08676	1.3
379.08383	5.1
397.22192	0.8
419.11182	0.7
439.22971	8.7
447.10757	7.9
451.13904	2.7
465.11722	8.0
465.18558	0.7
465.20822	0.7
465.28046	1.2
483.22037	100.0
484.22461	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	483.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85979	0.9
52.38091	0.9
53.07014	1.1
56.96545	1.3
57.03416	1.3
59.26241	1.0
61.02905	1.4
67.05506	1.2
69.03417	3.6
70.06575	4.0
71.05033	1.2
71.72066	1.0
71.72482	1.0
72.08169	1.3
81.03406	1.7
84.08145	3.2
85.02895	11.1
87.04446	1.5
91.05483	2.5
94.06544	1.1
94.68574	1.1
96.08223	1.3
97.02894	4.3
110.07096	2.1
119.04961	4.8
127.03917	1.3
129.10062	1.1
136.07567	1.9
147.04408	21.9
165.05496	1.7
181.08937	1.5
182.09766	1.7
183.09218	1.1
184.11169	1.7
195.09116	1.5
196.09914	10.7
197.10786	2.9
198.07689	1.0
206.08388	20.2
209.07068	1.8
210.11580	2.3
211.08868	1.0
211.12372	9.5
213.10146	1.2
219.03055	1.3
220.09970	3.8
221.10730	7.4
223.08644	7.4
224.09398	6.3
225.10284	1.2
226.11180	1.5
227.08179	2.9
237.10257	4.3
238.10971	7.4
239.08130	2.0
239.11795	25.5
239.14076	1.8
241.09746	2.8
252.09038	1.6
254.10539	2.3
255.11156	1.2
257.12845	4.1
267.11279	60.2
268.11743	1.5
272.11435	5.7
285.12317	65.8
286.12766	1.7
303.13367	100.0
304.13791	2.4
321.10226	1.1
321.14584	4.8
339.11169	2.0
387.64682	1.3
399.14816	1.4
465.18115	3.2
483.18451	78.1
484.18878	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	483.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.0
57.03417	1.4
61.02906	2.0
69.03421	7.2
70.06570	1.2
71.04986	0.8
71.73446	1.2
72.08162	0.8
73.02878	0.9
80.15647	0.6
81.03407	2.8
84.08123	1.9
85.02899	10.1
86.09691	0.7
87.04457	1.2
91.03922	0.7
91.05481	0.7
94.06549	1.5
97.02875	5.1
108.08096	0.7
109.02837	1.0
110.07173	0.6
111.04423	0.7
115.03877	0.6
120.08086	1.0
122.06037	1.0
127.03897	2.4
130.06497	0.8
136.07550	1.5
137.02292	0.7
138.05440	0.7
144.08040	0.8
145.04904	0.8
147.04398	3.6
147.47710	0.6
154.06477	0.6
168.08067	0.8
170.09689	1.0
176.07024	1.1
181.08786	1.7
182.09683	1.0
183.09187	1.6
194.09634	2.2
195.05371	0.7
195.09164	1.8
196.09900	8.2
197.10680	3.8
199.08586	0.8
202.38673	0.6
206.08374	19.7
209.07098	2.1
210.07733	0.7
210.11549	1.0
211.08684	1.4
211.12283	12.2
212.09210	0.7
212.10957	0.9
213.10207	0.9
213.89948	0.7
219.03047	0.7
220.09900	3.2
221.10721	8.7
223.08618	6.1
224.09422	9.8
225.10051	1.2
226.10944	1.4
227.08105	3.1
227.11769	0.8
237.10193	3.7
238.11005	7.0
239.08043	1.4
239.11768	27.3
241.09698	2.9
252.08907	1.7
254.10509	1.7
257.09982	0.8
257.12854	6.8
267.11267	57.8
268.11740	0.9
271.10873	1.1
272.11469	5.5
275.13873	1.1
285.12317	67.3
286.12607	1.5
287.13812	2.4
303.13376	100.0
304.13791	2.0
321.10599	1.3
321.14392	7.5
388.27924	0.7
390.47095	0.6
465.18973	1.3
483.17648	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	483.1969
Annotation	Unknow
Peak:m/z	Relative Intensity
55.94066	1.0
57.03434	1.6
60.04501	1.1
61.02913	1.9
61.23717	0.8
67.05496	1.9
69.03407	6.3
70.96690	1.0
70.97048	1.9
73.02916	1.6
81.03420	2.2
82.06558	0.8
83.04963	1.2
85.02899	10.8
91.03919	0.8
93.07034	1.7
94.06570	4.3
96.08124	3.1
97.02874	3.8
97.06508	1.1
98.06045	1.8
108.08081	1.9
109.02859	1.2
110.06021	2.6
110.09676	5.4
111.04453	1.8
120.08115	3.8
122.06022	1.8
123.06799	1.6
124.07619	1.2
126.05504	1.5
127.03886	1.4
136.07555	1.4
138.05492	4.3
138.09135	24.9
139.03880	3.6
146.05978	1.4
148.07587	3.3
156.06552	18.1
166.08618	34.8
183.09242	1.2
188.07094	2.5
188.10764	2.8
194.09697	1.1
196.09955	3.1
197.10649	1.5
198.09254	0.9
202.08609	1.1
206.08388	11.8
211.12282	4.8
213.10168	1.7
214.08604	1.6
216.10181	3.0
220.10013	2.5
221.10750	5.5
223.08748	2.0
224.09489	3.7
225.10242	1.4
227.08119	2.7
227.11798	1.2
230.11760	2.1
232.09727	3.2
234.11198	5.5
237.10233	2.2
238.10954	4.6
239.08064	1.3
239.11824	11.0
240.10272	1.2
241.09804	3.5
243.11189	1.0
244.09596	1.5
254.10437	1.7
255.11215	1.0
257.12827	3.2
258.11258	3.6
262.10712	9.1
267.11258	26.4
271.10724	1.8
272.11597	9.5
276.12286	10.7
285.12305	28.1
290.12549	3.9
303.13388	25.3
304.11725	11.2
321.14423	100.0
322.14810	2.6
384.88138	1.0
473.73651	0.9
483.19788	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1834
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	1.2
56.96553	1.2
57.03426	1.5
60.59486	0.9
65.08517	0.9
69.03416	5.0
69.44492	0.7
69.73039	2.2
69.73464	4.5
70.06578	2.3
72.08161	1.4
73.53310	0.8
74.89087	0.8
75.30679	0.8
79.05469	0.7
81.03397	1.6
84.04496	0.8
84.08129	2.9
85.02886	8.3
87.04445	0.9
91.05464	2.9
94.06522	1.0
95.04916	1.3
97.02878	3.3
98.20683	1.2
109.02853	1.2
110.07198	1.7
119.04940	5.2
122.06069	0.8
127.03902	1.5
134.05952	0.8
136.07552	1.7
144.08159	0.9
147.04390	27.8
168.75380	1.0
181.08936	1.0
182.09628	1.3
183.09068	1.2
194.09570	1.5
195.09204	1.7
196.09911	4.7
197.10692	2.2
206.08383	13.6
209.07179	1.1
211.12325	7.4
220.10025	1.7
221.10677	8.5
223.08569	3.8
224.09453	6.8
227.08209	3.4
232.40285	0.8
237.10194	2.3
238.10916	7.0
239.08151	1.4
239.11761	17.6
239.14056	1.5
241.09674	2.1
246.90770	0.8
252.08908	1.0
254.10553	1.1
257.12735	4.2
267.11255	40.9
268.11664	1.6
271.10910	0.9
272.11569	3.4
285.12308	46.0
286.12607	1.8
291.41147	0.8
303.13367	62.3
304.13687	1.2
304.42249	0.8
321.10486	1.0
321.14386	1.6
323.26260	0.9
339.11081	1.7
465.18451	1.8
483.18356	100.0
484.18906	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	483.1494
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02379	0.3
53.03943	0.4
55.05506	0.3
56.05013	0.4
56.96556	0.4
58.06128	0.2
60.04530	0.3
65.03926	1.1
69.03416	1.3
70.02972	0.2
70.06591	2.7
70.89845	0.6
72.08131	0.8
73.02909	0.3
74.00626	0.4
76.26155	0.2
81.03410	0.7
83.04954	0.3
83.06089	0.6
84.04485	0.6
84.08141	2.2
85.02893	2.6
86.09696	0.6
86.36323	0.3
91.05473	9.0
95.04961	2.2
97.02863	0.8
98.97537	0.3
109.02853	0.7
110.07159	0.8
119.04933	22.7
120.05381	0.2
120.99563	1.4
121.02830	0.5
127.03869	1.3
127.12337	0.3
129.10201	0.8
136.07553	0.4
139.03882	0.5
147.04391	100.0
148.04745	0.8
165.05464	3.3
184.49043	0.3
200.03856	0.3
217.09644	0.4
228.03214	2.8
228.45876	0.3
277.42200	0.3
291.08820	0.3
303.08826	1.1
309.09659	0.4
321.10074	1.4
321.69165	0.3
339.11172	1.6
362.11807	0.4
363.11118	0.4
483.15457	2.0
483.22510	0.4
494.83313	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1464
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	1.2
55.05506	1.8
56.05019	1.8
57.03433	1.4
57.77050	0.7
61.32062	0.8
67.05497	9.1
69.03416	3.3
69.07053	1.6
70.06588	6.4
71.04980	5.2
71.72862	1.0
71.73288	1.1
72.08141	1.8
79.05486	3.7
81.03403	1.2
81.07045	12.6
83.04952	1.8
83.08614	1.3
84.04515	1.1
84.08140	4.6
85.02897	6.9
85.06526	7.4
86.09717	4.0
87.04446	3.5
91.05464	3.5
93.07039	4.5
95.04964	1.7
95.08604	10.1
97.02873	2.1
97.06507	1.3
99.04411	1.2
99.08057	1.6
101.05999	1.1
104.05345	1.8
105.07019	3.3
107.08563	3.5
109.06512	2.0
109.10155	4.3
110.07133	1.5
111.04381	1.1
111.08089	1.1
117.36921	0.8
119.08547	3.3
120.08090	2.3
121.06468	0.9
121.10131	6.5
123.11691	2.4
125.09595	1.5
127.03898	1.4
129.10181	1.7
130.05025	0.9
131.08519	1.0
133.10139	2.4
135.11665	3.0
136.07553	2.3
137.05945	1.8
137.09518	0.9
139.11183	1.7
143.08508	1.2
145.10138	1.7
147.04446	0.8
147.11667	1.5
149.09680	1.1
150.05675	1.0
151.11195	0.9
157.10085	1.3
159.08037	1.0
163.11186	2.1
166.08630	1.3
175.03645	1.5
175.11208	1.2
181.08711	0.9
203.17935	2.7
207.13805	2.0
213.10393	0.8
215.11789	0.8
219.10246	1.0
221.18945	1.4
223.13087	1.3
225.16422	0.9
227.11737	1.1
239.11801	1.0
239.20050	2.4
240.12231	0.9
243.11261	2.6
255.11066	1.3
259.14310	0.8
267.11346	1.3
267.19537	3.7
273.12396	2.2
285.20712	12.2
287.13791	2.1
303.13281	2.1
303.19101	2.0
303.22137	1.5
306.16837	1.9
311.05063	1.0
315.13254	3.9
322.20978	1.0
331.09973	8.1
337.08835	3.0
351.13638	1.2
374.60406	1.0
381.14444	7.1
411.15518	4.0
429.16556	3.2
447.17596	13.8
465.18533	6.0
483.14685	100.0
484.14841	3.1
484.21530	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	482.3476
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	26.7
56.24782	8.1
57.07070	43.1
61.89915	8.0
67.05492	37.2
69.07069	13.6
71.08640	20.7
71.73055	15.8
73.69445	9.5
79.05490	13.1
81.07059	38.1
83.08614	31.7
83.33080	8.7
83.70978	8.2
85.10153	19.0
86.09673	18.3
86.25019	8.0
89.06035	45.9
91.05463	24.2
91.08205	7.5
92.93582	9.2
93.07061	18.0
95.04961	30.5
95.08607	22.4
97.10168	14.3
101.00293	8.8
105.07027	31.9
106.51675	9.4
107.08569	26.9
109.10148	15.0
112.05084	8.8
117.05470	35.1
119.08617	21.8
131.08548	15.0
133.08595	33.7
133.10146	12.6
145.10103	21.9
147.11676	12.3
149.09593	15.3
163.11189	32.5
173.13162	11.0
177.11252	13.3
177.12700	11.7
183.11606	10.5
189.11296	11.2
215.13887	8.8
223.13226	22.5
228.81966	9.2
239.17940	9.8
257.18893	14.4
259.79669	9.5
275.20004	100.0
283.17514	19.9
293.21112	55.5
465.37869	11.8
483.36536	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	482.3622
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46953	1.4
53.06801	1.5
55.01628	1.9
55.01866	20.5
67.05500	6.9
68.05019	5.8
69.07050	7.4
70.06586	6.4
71.75963	2.5
79.05490	6.8
80.04974	1.4
81.07037	4.9
89.06020	6.9
91.05463	2.6
93.07035	3.6
95.04996	2.1
95.08580	1.4
96.08104	2.0
97.06518	26.3
98.09675	13.6
104.46428	1.2
105.07023	1.5
106.06545	5.1
108.08132	7.8
120.08084	1.9
122.06011	8.9
124.07583	40.1
133.08571	4.7
134.05891	1.5
136.07561	91.4
148.07538	1.8
148.11188	1.9
150.12709	1.3
152.07069	2.1
176.14346	6.5
177.11206	1.8
185.59041	1.3
194.15471	2.0
204.13837	8.9
222.14871	100.0
223.15204	1.9
257.07825	1.1
268.15869	1.4
283.17468	3.7
291.17221	1.2
292.05435	1.3
372.97311	1.3
482.36243	38.2
483.29449	1.5
483.36420	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	482.9994
Annotation	Unknow
Peak:m/z	Relative Intensity
53.60927	1.0
53.80484	1.1
56.96560	2.2
62.59111	1.2
69.81155	3.1
69.81581	5.7
74.30921	1.2
75.38454	1.0
95.96527	1.3
97.02917	2.0
98.21419	2.4
98.97575	8.1
116.98587	9.2
134.99666	6.8
153.00775	1.5
174.97650	3.3
177.00972	2.1
177.46121	1.3
192.98758	4.2
214.95528	1.3
216.98665	1.5
219.02135	1.9
232.96667	13.1
234.99849	7.6
250.97731	15.7
251.97920	1.4
253.00833	1.5
256.96631	15.1
258.99890	11.3
260.00275	1.8
260.99960	2.6
261.03076	5.6
263.02911	1.7
274.97720	61.8
275.97937	4.1
277.00970	13.2
280.96872	3.1
282.99963	19.3
284.00214	2.2
284.99960	1.7
292.98752	11.9
295.85458	1.2
297.99423	1.8
298.97720	48.5
299.97922	2.3
300.98007	1.2
301.01028	26.5
302.01184	4.5
303.00989	3.4
304.00562	1.4
316.98785	100.0
317.98926	4.8
318.98676	2.3
319.02222	2.7
324.02817	1.4
334.99927	2.1
340.00406	6.2
340.98618	1.9
358.99844	5.5
371.50858	1.1
374.97858	3.1
401.01172	4.1
402.01273	2.8
403.01215	2.0
416.98846	9.9
422.98074	2.9
425.01093	4.5
435.90314	1.6
440.98813	53.9
441.98956	4.2
443.02380	14.4
444.02481	2.9
445.02075	1.9
458.99924	82.6
460.00128	7.1
477.00903	1.6
482.01437	9.4
483.01746	9.3
484.02280	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.3476
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25980	4.0
55.05494	18.5
57.03440	5.6
57.07059	12.1
58.06591	8.1
59.04996	8.9
67.05142	6.7
67.05499	100.0
69.07067	18.7
69.97536	29.1
71.05010	6.1
71.08597	6.6
75.32307	4.6
79.05493	24.4
81.03405	8.4
81.07051	65.0
83.08608	11.4
85.06551	6.4
85.10189	9.2
87.84731	4.7
89.06015	11.8
91.05493	23.0
93.07040	24.3
95.04969	10.9
95.08611	17.6
97.06540	6.9
105.07025	30.0
107.04935	12.1
107.08577	6.2
109.06494	15.6
109.10143	75.2
111.08101	10.4
119.08579	25.3
121.10115	8.2
131.08498	10.6
133.10132	14.1
145.10121	13.6
147.08003	7.0
147.11679	15.1
149.09584	10.8
155.10652	6.9
159.11639	11.8
161.09613	6.5
163.11156	7.9
165.12733	8.3
173.11729	53.4
175.11188	5.0
185.13251	6.0
216.66599	5.3
229.19482	6.4
257.19080	9.3
275.20026	92.6
275.83514	4.9
290.99371	4.5
293.21036	46.0
301.78598	5.6
318.84259	6.2
325.21915	5.6
482.39688	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	482.324
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	0.9
56.05029	0.9
57.03430	0.7
57.05806	0.8
57.07071	3.7
59.04961	0.2
64.38714	0.2
67.05499	0.7
69.07068	1.0
70.06588	2.9
70.08021	0.6
70.08436	0.3
71.08624	3.0
72.08149	100.0
73.07857	0.2
73.08485	0.3
81.07046	1.1
83.08606	1.0
85.06529	0.2
85.10172	1.3
87.05405	0.2
89.06037	0.2
90.09190	3.7
95.08604	1.4
97.10169	0.6
98.20733	0.2
109.10162	0.8
123.11684	0.3
133.08549	0.2
157.05428	0.2
170.05763	4.9
174.09181	0.2
227.33833	0.2
244.09526	0.6
270.75351	0.2
308.29529	0.3
309.29840	0.3
310.30237	0.6
311.25897	0.7
311.80765	0.2
313.27344	21.4
314.27759	0.6
341.29700	0.5
412.99619	0.2
464.31454	2.9
482.32407	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	482.3239
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73608	0.3
55.05507	0.5
56.05038	0.7
57.03417	0.4
57.07069	3.0
58.06601	1.5
60.08159	15.9
67.05499	0.6
69.07058	0.9
70.06543	0.4
70.22683	0.6
70.23103	1.2
71.07367	5.9
71.08617	1.9
74.52524	0.3
81.07029	0.9
83.08619	0.5
85.10186	0.9
86.09698	46.9
95.08605	1.4
98.98453	3.4
104.10733	100.0
105.11068	0.6
109.10145	0.4
116.59625	0.4
124.99992	25.5
125.16910	0.3
148.62096	0.4
156.81941	0.3
163.01567	0.9
184.07329	95.4
185.07784	0.5
258.10928	0.8
299.25793	1.6
381.12015	0.4
393.37552	0.4
405.24170	0.6
464.31348	7.4
482.32410	25.5
483.32690	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.3238
Annotation	LPE(18:0/0:0)
Peak:m/z	Relative Intensity
55.05501	2.8
57.03429	2.9
57.07069	42.3
59.04985	2.1
62.06082	23.6
65.66088	0.8
67.05492	3.3
69.07060	5.7
70.13722	0.8
70.32583	1.9
70.32977	1.4
71.08623	34.0
81.07048	6.1
83.08598	4.2
85.10172	21.5
87.04472	0.9
87.80330	0.9
89.06018	18.2
95.08595	7.3
95.69730	0.8
97.10164	5.7
98.98447	7.1
99.11725	3.2
103.03929	5.7
103.07570	1.4
109.10159	3.7
111.11730	2.0
113.13272	1.8
123.11640	1.1
124.78748	0.8
125.13273	1.6
133.08575	10.6
142.02615	1.6
147.06505	1.2
155.01036	5.2
155.17943	1.8
177.11157	4.1
198.05359	1.0
207.12216	1.0
216.06367	3.1
231.49541	0.8
235.11839	1.9
250.76003	0.8
267.26865	1.7
282.59744	1.1
283.17480	5.1
310.31033	13.1
341.30460	100.0
342.30756	3.3
421.27200	6.1
464.31323	2.0
465.37762	4.7
482.39511	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.2592
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01850	1.6
55.05521	5.0
57.03437	4.8
60.27983	0.8
61.02908	3.5
67.05500	11.5
69.03398	1.1
69.07065	7.4
70.06561	1.2
70.90697	2.0
71.04997	1.6
73.02901	1.1
79.05493	7.4
81.03415	2.4
81.07049	35.7
83.04968	3.1
83.08607	3.0
85.02888	2.2
85.06524	2.8
91.05460	9.4
93.07044	6.7
95.04965	1.8
95.08582	9.7
97.06509	3.1
97.10157	1.3
99.08083	1.4
105.07014	15.3
107.08576	7.9
109.02880	0.9
109.06506	2.7
109.10138	2.3
111.04518	0.9
113.05997	1.3
119.08575	12.7
121.10136	12.3
123.08042	2.6
123.11701	14.1
127.03849	0.9
127.07505	1.6
129.06944	1.3
131.08521	1.8
133.10139	3.5
137.05942	1.4
137.13257	1.0
147.11667	35.4
157.10117	2.1
161.13327	1.2
165.12737	15.4
175.11140	2.0
183.13780	1.8
193.12193	1.9
211.13197	1.0
216.61774	0.9
229.14328	7.1
267.15891	44.0
268.16177	1.2
285.16937	100.0
286.17279	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.3734
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	4.9
57.07074	100.0
59.05003	16.2
67.05507	4.9
69.07052	5.8
69.47746	17.8
71.04966	2.0
71.08626	88.5
79.05462	2.5
80.60973	2.0
81.07024	3.3
83.08602	4.6
84.40635	1.6
85.10178	86.7
87.04455	4.1
87.96716	1.8
89.06026	93.4
93.07045	3.5
94.06485	1.9
95.08610	4.3
98.05984	2.3
98.21483	3.8
99.11722	8.8
103.07565	5.3
105.06989	2.1
107.07029	2.7
115.37353	1.7
130.08614	3.0
131.07043	2.1
133.08598	51.9
141.16374	5.1
169.10017	1.9
177.11208	16.3
191.59384	2.1
199.20528	2.8
239.14801	3.0
278.94925	1.9
283.17487	8.7
305.28830	2.3
308.29572	7.1
309.29785	46.0
310.30130	2.5
450.06058	1.8
481.39511	1.9
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
51.85685	1.1
53.03938	2.5
55.01871	2.8
55.05512	9.2
57.03432	6.0
61.02910	3.0
67.05497	11.0
69.03415	7.3
69.07051	4.0
70.06586	7.2
71.03645	3.0
71.03976	1.4
71.04978	2.1
72.08130	2.9
79.05173	1.0
79.05492	11.5
81.03413	38.4
81.07043	13.3
81.89925	1.3
83.04960	8.1
83.08606	11.6
84.08109	3.6
85.02893	14.6
85.06525	2.2
86.09713	6.1
87.05552	1.2
91.03965	1.4
91.05479	15.8
93.07033	9.8
94.07327	2.1
95.04966	16.5
95.08607	8.2
97.02869	2.9
97.06511	2.4
97.10140	2.2
99.04445	1.4
105.07017	11.6
107.04936	3.5
107.08587	7.7
109.02847	2.1
109.06516	2.4
109.10151	2.6
111.08067	5.7
112.07571	1.4
113.05991	1.9
115.05527	1.1
119.04946	1.4
119.08571	11.7
120.08086	3.4
121.10158	6.3
123.08057	6.6
123.11662	1.4
125.09669	1.5
129.06995	5.8
129.10178	2.4
131.08556	5.5
133.06552	1.9
133.10165	5.6
135.04382	1.6
135.08087	1.8
135.11693	1.6
136.07561	3.8
137.02335	4.1
137.06035	1.6
137.09575	1.9
142.07724	2.4
145.10126	3.0
147.07970	1.3
147.11699	8.5
148.07590	2.7
149.07964	1.3
149.09583	3.5
149.13249	1.2
150.09096	1.2
151.07529	1.5
151.11220	1.7
157.10129	7.0
159.11737	2.1
161.09651	1.5
163.11200	1.6
164.07077	3.0
165.12726	3.0
175.11203	9.9
176.11536	1.2
189.01865	1.8
191.03342	1.7
193.12222	28.5
202.29303	1.5
203.03270	1.8
211.13245	22.2
226.10661	1.2
250.03354	1.4
254.45724	1.2
257.12851	1.9
267.15921	12.4
273.12518	1.3
279.06503	3.7
284.14731	1.5
285.16937	100.0
286.17261	3.2
295.05881	1.6
299.48141	1.2
302.15790	2.9
302.21933	1.4
302.46237	1.2
303.13678	5.6
309.07391	2.4
310.04663	3.4
311.05460	4.0
313.06802	1.3
321.07529	2.0
321.15479	5.5
323.05502	6.9
324.06250	4.8
325.06937	1.5
335.05551	3.3
341.06711	2.7
350.07324	2.0
352.05585	1.8
353.06442	8.1
363.08273	2.7
381.09534	2.5
383.07553	8.6
392.08090	1.9
420.07349	1.5
425.43689	1.4
446.08557	5.5
455.09784	1.9
464.10062	8.0
465.11154	2.1
482.10974	29.7
482.18344	2.5
482.28110	3.1
483.10962	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	481.2037
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05013	3.8
60.05637	1.4
64.54307	1.3
66.02602	1.4
70.06573	3.6
71.74445	2.2
72.08147	1.8
81.03399	1.6
85.02871	1.5
98.07194	1.8
106.01112	1.6
110.07184	1.6
111.05550	3.4
113.07067	2.8
118.33011	1.5
120.04453	2.7
120.08123	3.3
123.47704	1.4
124.36012	1.3
132.04462	7.9
140.08122	1.8
150.05475	2.9
151.06117	3.6
161.99353	1.4
187.08588	3.4
202.09688	4.9
203.08168	2.1
206.87057	1.6
230.09294	1.8
231.07652	16.6
233.13937	6.3
248.51939	1.8
255.52950	1.5
257.10367	1.7
259.11865	19.6
260.10556	1.6
277.12943	81.2
284.11343	5.3
302.12427	44.0
319.15106	100.0
320.15402	3.4
364.25452	1.5
413.38962	1.5
478.55652	1.6
481.13882	2.7
481.20300	40.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1855
Annotation	Unknow
Peak:m/z	Relative Intensity
59.20701	0.4
66.04693	0.5
68.93802	0.4
69.94466	2.6
70.06565	0.8
79.05485	0.8
81.07036	0.6
86.09675	0.6
91.05479	1.1
92.00418	0.5
94.04173	2.7
94.56327	0.4
95.10515	0.4
103.05444	0.5
103.69091	0.4
105.07046	0.5
107.04920	1.2
115.05393	0.4
115.90734	0.4
122.03639	8.1
131.04907	0.8
135.04401	0.7
137.05965	100.0
138.06293	1.4
142.57208	0.4
147.04411	1.0
149.05931	0.7
151.03902	0.9
151.07576	1.1
161.05931	2.8
163.07509	0.6
165.06979	2.0
166.07825	0.6
167.06987	0.6
179.07072	0.5
179.08531	0.7
181.06459	1.0
187.07420	0.4
193.06474	1.2
194.07277	4.1
197.09598	0.7
199.07465	0.5
205.06517	1.6
206.07260	0.6
209.09599	0.6
210.06699	1.0
211.07629	0.4
219.08162	0.5
221.06010	2.5
222.06757	2.4
224.08295	0.6
225.09071	1.8
227.07141	0.6
233.05916	0.4
235.07635	0.6
237.09113	2.4
239.07042	0.8
239.31670	0.5
241.68231	0.4
249.09148	0.8
250.06334	0.8
251.06961	0.8
252.07889	0.6
253.08545	1.6
259.09717	1.1
261.06036	0.5
265.08572	7.1
266.09348	0.8
267.10129	1.2
269.08066	0.5
277.08542	1.6
282.08820	0.6
283.09567	0.8
285.08386	0.7
285.11221	7.5
297.11255	7.9
309.11261	1.2
315.12442	1.1
361.14236	0.5
401.13763	1.3
413.13501	0.7
421.16275	2.2
428.60739	0.5
433.16458	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	480.4257
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03423	5.3
57.06802	5.0
57.07071	100.0
59.04717	4.8
59.04996	61.3
69.07052	3.6
70.53143	3.5
71.08626	73.3
71.55286	6.7
85.10175	66.8
92.29005	3.0
93.49744	3.6
94.10641	3.6
97.10194	3.2
99.11740	8.7
100.90916	3.7
113.13300	5.2
117.09106	15.3
120.48469	3.2
155.17943	9.9
158.55278	3.3
175.13329	4.8
213.22083	10.3
264.50931	3.2
271.26324	7.9
356.86328	3.4
410.29605	4.4
428.22964	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1316
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05017	1.2
57.79345	0.5
60.04499	0.8
70.02920	0.4
70.06587	8.3
71.74812	0.8
72.08152	4.0
74.06066	1.0
84.04498	2.4
84.08139	4.5
85.02885	0.7
86.09702	6.2
87.09983	0.6
88.03982	0.6
91.05461	0.9
98.06064	0.5
102.05518	1.4
105.07014	1.7
110.07162	2.3
112.33776	0.4
115.08707	0.5
116.07031	0.6
119.04906	0.7
120.08119	2.8
127.00051	0.6
127.08704	0.5
129.10216	3.3
133.06458	1.3
136.07590	2.1
137.05937	1.3
144.06586	0.5
145.09790	0.4
147.04393	0.5
148.28514	0.4
149.05981	1.1
151.03964	0.9
161.05975	2.8
162.06549	0.5
167.03140	0.8
168.76610	0.5
177.05424	1.6
185.04242	0.9
187.07057	0.6
193.08554	0.9
198.05424	0.7
215.06784	2.3
217.04744	1.5
227.05194	3.2
232.07037	16.4
233.07814	8.9
271.04288	4.7
296.25952	0.5
364.11462	0.6
395.13098	5.8
409.24173	0.5
419.12979	0.8
437.14169	42.1
438.14450	1.5
446.45148	0.5
450.11331	0.5
481.13129	100.0
482.13440	2.6
509.23413	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.3086
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14822	0.6
55.05495	2.3
56.05029	1.1
57.03427	1.2
57.07067	1.1
58.06597	1.4
60.08158	15.7
67.05500	3.5
69.07048	1.7
70.06570	1.0
70.55838	1.3
70.56228	1.6
71.07356	8.6
72.08153	0.8
79.05479	2.9
81.03404	0.7
81.07057	3.8
83.08606	1.4
86.09701	48.3
91.05467	0.9
93.07030	2.4
95.08606	2.2
97.02852	0.8
97.06545	1.5
97.10175	0.9
97.48397	0.7
98.98474	4.1
104.10735	99.7
105.07040	1.0
107.08589	1.0
117.06975	0.8
121.10158	1.6
124.99995	27.7
133.70425	0.8
135.11694	0.8
143.01027	0.8
163.03841	0.8
184.07332	100.0
256.26178	0.9
258.10974	0.9
331.93213	0.8
379.51651	0.8
462.29672	8.5
480.30807	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	480.3083
Annotation	LysoPE(0:0/18:1(9Z))
Peak:m/z	Relative Intensity
55.05509	14.9
57.03428	6.3
57.07070	7.6
59.52869	0.6
62.06078	1.1
67.05495	10.5
69.06684	1.1
69.07059	18.0
70.06844	2.2
70.07259	1.2
71.04980	0.8
71.08635	3.9
72.14246	0.6
79.05491	4.0
81.07052	10.8
83.08612	11.5
85.05328	0.7
85.10165	1.2
86.09695	3.0
88.03993	1.2
93.07033	4.8
95.08595	9.2
97.06522	1.4
97.10160	6.6
97.74220	0.6
98.06039	3.4
98.98432	0.8
107.08566	4.2
109.10156	4.7
111.08051	1.0
111.11691	2.0
121.10123	5.9
123.11698	1.5
125.00001	0.9
125.09632	1.2
135.11659	4.0
143.07347	0.6
149.13266	1.8
191.90887	0.7
216.06131	1.2
225.14250	0.6
247.24356	0.7
265.25314	1.7
308.29449	47.6
339.28915	100.0
340.29172	1.2
370.03174	0.6
480.33408	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	480.3086
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	0.6
55.05499	2.3
56.05032	1.2
57.07064	0.6
58.06600	1.6
60.08161	16.5
62.91874	0.5
67.05497	2.2
69.07059	2.0
69.65613	1.0
69.66019	3.6
70.06577	1.3
71.07367	5.5
79.05486	2.0
81.07052	2.5
83.08601	1.5
86.09698	49.3
93.07025	2.2
95.08609	1.3
97.06509	1.2
98.98457	3.9
104.10732	100.0
105.06969	0.7
107.08592	1.1
109.10153	1.1
114.10321	0.7
121.10139	1.4
122.12301	0.6
124.99992	28.0
129.05493	0.7
146.07851	0.5
163.03925	2.8
181.02588	1.0
184.07326	96.8
190.45377	0.5
207.06429	3.0
223.59448	0.6
258.11023	1.5
297.24197	1.2
300.28995	0.9
418.29724	0.6
462.23840	0.7
462.29721	8.1
480.30771	21.8
480.39050	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.3079
Annotation	PE(18:1(9Z)/0:0)
Peak:m/z	Relative Intensity
54.27464	0.8
55.00654	0.9
55.05508	12.6
57.03428	3.8
57.07072	4.5
62.05750	1.3
62.06079	26.3
67.05239	0.9
67.05508	8.9
69.07063	17.8
70.26935	3.8
71.08624	1.6
79.05481	3.5
81.07034	9.5
83.08612	10.7
85.10174	1.5
93.07033	4.0
95.08596	8.5
97.06509	2.2
97.10174	6.1
98.06031	1.5
98.98456	5.4
107.08567	2.6
109.10129	4.1
111.08143	1.2
112.34683	0.9
120.74947	1.0
121.10120	4.6
124.01559	1.8
125.36821	0.9
135.11668	3.5
149.13095	1.2
155.01050	6.7
160.99078	1.0
198.05251	1.9
216.06319	2.4
222.11142	0.9
247.24249	1.2
265.25287	5.7
284.07312	1.0
292.86740	1.0
308.29440	16.2
339.28909	100.0
340.29306	1.6
419.25497	2.5
462.29541	2.7
480.30984	1.3
498.21167	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2802
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	1.4
54.94717	1.3
55.05498	1.6
55.22570	1.1
57.03436	2.5
57.07060	1.3
59.85333	1.2
64.60176	1.1
67.05493	4.9
69.03407	1.6
69.07050	4.3
69.39994	1.0
69.55271	3.3
69.55685	7.4
70.06584	2.4
71.04987	21.7
75.04485	2.6
79.05500	8.3
81.07050	100.0
82.07394	1.3
83.04970	3.3
84.86386	1.0
85.02898	32.8
86.09705	1.6
93.07040	1.9
95.08601	17.7
97.02911	1.8
98.20723	2.8
109.10105	1.5
111.04414	2.5
119.75500	1.0
122.03671	2.8
124.24906	1.2
127.03930	1.3
129.05449	14.8
131.96521	1.3
132.93762	1.2
137.05974	36.2
137.13248	21.6
145.04932	1.2
147.06490	7.5
164.09206	2.2
168.66121	1.2
194.07224	1.3
219.07616	1.2
223.61342	1.2
237.09268	1.2
255.08820	1.2
265.08624	2.7
285.11234	3.7
297.11249	3.5
372.43985	1.3
480.28241	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.28
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	6.2
53.69497	1.6
55.01857	6.1
55.05508	8.1
57.03428	5.5
57.07067	8.0
61.02904	5.1
67.05484	13.7
68.99773	1.6
69.03419	32.8
69.07059	6.9
70.06581	4.1
71.04978	4.5
71.76313	2.2
72.08121	2.5
73.02895	4.8
79.05468	2.8
81.03411	18.0
81.07045	33.6
83.04974	2.3
83.08615	11.4
85.02894	100.0
86.09708	2.9
87.00813	42.4
91.05466	1.6
93.07005	2.6
95.08601	43.1
97.02881	28.6
97.10162	16.0
99.04438	13.0
99.08048	2.7
105.01852	87.6
109.02865	28.4
109.10140	60.6
109.10871	3.8
115.03939	2.2
115.11166	2.4
121.10061	1.9
123.11694	70.1
127.03900	72.0
127.33849	1.6
129.01833	2.2
134.19199	1.5
137.05983	17.5
137.13222	21.7
139.14774	1.8
145.04941	31.1
147.02866	2.6
147.04436	1.7
159.02907	11.1
163.11238	2.1
179.17926	50.5
189.03969	3.3
197.18994	44.0
213.03978	5.5
218.51486	1.9
231.04959	25.8
249.05991	15.4
283.15366	2.9
495.95953	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.244
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14069	0.8
53.03945	1.2
53.47005	1.0
53.47267	0.8
55.01869	1.3
55.05498	5.5
57.03428	3.2
61.02910	3.4
62.24802	0.8
65.61388	0.8
67.05501	8.1
68.04989	0.8
69.03423	3.2
69.07052	4.1
69.07384	0.9
70.06595	4.3
71.02685	2.3
71.04976	2.1
72.08155	1.9
72.58101	0.8
73.02907	1.8
79.05484	9.7
81.03409	3.7
81.07052	12.1
83.04976	1.3
83.08607	5.9
84.08161	0.9
85.02898	11.3
86.09711	1.7
87.00822	2.5
91.03930	2.0
91.05474	4.2
93.07034	15.6
95.04954	3.7
95.08599	22.5
97.02894	5.4
97.06525	2.0
97.10155	1.6
99.04451	2.6
105.01859	4.8
105.07015	5.4
107.04950	5.6
107.08588	13.4
109.02870	1.6
109.06503	2.1
109.10120	6.3
110.07178	1.0
111.04462	1.2
114.10288	3.6
117.07041	4.6
119.04898	0.9
119.08595	6.1
121.06487	3.6
121.10126	8.1
121.22523	1.1
123.11702	4.6
125.05978	2.2
127.03876	5.0
129.06973	1.4
133.10104	2.1
135.08112	1.7
135.11684	28.4
137.05960	2.1
137.09595	1.1
137.13300	1.1
145.04962	2.8
145.10109	15.5
163.11172	40.7
179.17943	3.7
181.12202	7.0
197.19040	1.8
203.03328	1.1
227.12770	58.0
231.05038	1.9
283.15387	100.0
284.15390	1.0
301.16376	1.6
321.07578	2.0
337.62085	1.0
394.18906	1.4
427.19766	1.3
436.20200	3.2
445.20737	1.2
480.18674	19.0
480.29254	1.6
481.11456	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	480.2439
Annotation	Unknow
Peak:m/z	Relative Intensity
54.77559	1.6
55.01873	2.0
55.05503	6.1
57.03410	2.1
61.02909	3.8
61.75721	1.8
67.05495	8.0
68.70722	1.8
69.03422	3.6
69.07066	4.8
70.06587	9.0
71.04964	2.1
71.75499	1.7
72.08145	7.8
76.02242	1.9
79.05483	11.1
81.03396	5.1
81.07056	11.0
82.42983	1.8
83.08615	4.2
84.08115	2.2
85.02898	7.4
86.09663	4.5
89.65164	1.6
91.03917	1.8
91.05470	6.1
93.07033	15.0
95.04944	4.5
95.08601	17.8
97.02866	5.2
97.06498	2.7
99.04411	3.3
99.08091	2.0
105.07010	6.2
107.04934	5.5
107.08588	13.3
108.04423	2.6
109.02857	2.3
109.06493	4.0
109.10159	4.1
110.07135	3.9
111.04443	3.0
114.10273	5.9
117.06985	4.8
119.08574	8.5
120.08121	2.3
121.06509	3.9
121.10135	8.3
125.05976	2.7
127.03906	2.1
133.10136	6.1
134.05948	2.2
135.07967	2.4
135.11678	29.7
137.05928	5.8
138.09108	2.5
139.07518	2.0
145.10118	13.7
147.11725	2.9
163.11169	36.1
166.08620	3.9
181.12181	5.6
203.03409	3.0
220.76799	1.8
227.12784	47.4
283.15387	100.0
284.15799	2.1
301.11508	2.0
321.07462	5.0
349.07016	5.8
351.08435	2.1
364.74289	2.0
369.91180	2.1
370.06329	2.7
377.06671	3.3
463.10056	4.3
480.10410	2.5
480.29111	4.2
481.11166	6.3
481.21790	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	2.6
56.05029	1.0
56.96573	1.1
57.03429	9.5
60.04513	1.2
61.02908	1.9
65.03896	0.8
65.50201	0.9
69.03426	5.3
70.06255	1.2
70.06585	11.5
71.01344	0.9
71.04986	82.3
71.06918	1.2
71.32903	2.0
72.08146	3.0
73.02888	1.7
75.04471	5.4
77.08003	0.8
83.04970	8.1
84.04486	5.7
84.08125	7.0
85.02898	100.0
86.09698	5.5
87.04453	1.3
91.05490	4.4
95.04948	1.9
97.02864	3.1
99.04432	1.3
103.03903	1.7
109.02841	1.1
110.07168	1.7
111.04378	4.7
119.04916	1.3
120.08089	19.3
121.06513	1.2
123.04408	10.7
124.05196	3.0
127.03913	2.8
129.05467	45.6
129.10248	4.4
130.04997	1.1
136.07545	3.4
137.05963	13.8
140.04677	2.1
145.04942	2.2
146.08081	1.1
147.04428	1.1
147.06517	17.1
147.07581	1.4
151.07478	2.5
155.07022	39.7
156.07486	0.9
164.04755	1.6
164.09186	5.2
167.07043	11.3
177.10196	1.9
179.07033	8.4
190.06113	0.9
191.06987	3.2
193.08705	1.3
196.30153	0.8
201.08675	2.4
206.05705	1.6
220.02606	0.9
221.08066	6.6
237.02751	1.6
247.09631	4.4
259.70718	1.1
262.11783	1.2
265.10696	3.0
275.59543	0.9
281.10181	2.5
283.11691	3.3
318.09500	1.1
391.16534	1.0
437.13904	1.0
471.11929	1.5
480.14648	21.4
481.14185	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	480.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	1.3
55.05489	3.3
56.05012	0.8
57.03403	2.2
59.52846	0.8
61.02901	1.2
64.43159	0.7
67.47706	0.8
69.03426	5.0
70.06580	4.8
70.99001	1.5
71.04983	6.4
73.73299	0.8
79.05467	2.2
80.99973	0.8
81.03400	2.4
81.07040	9.5
83.08585	3.6
83.48228	0.7
84.04478	1.4
84.08102	3.3
85.02895	13.3
85.06517	1.7
86.09686	1.9
87.04434	1.1
91.05460	6.4
93.07022	1.3
97.02888	3.7
98.06045	1.5
98.09661	1.3
99.04453	0.9
99.08078	2.2
101.68522	0.7
105.07029	1.3
108.08125	3.8
109.02853	1.1
109.06508	10.4
110.05988	0.8
110.09620	1.2
116.07059	2.5
120.08079	1.6
121.02818	1.0
124.07377	0.8
125.02441	0.8
126.09131	39.8
127.03889	2.0
127.07551	11.0
129.05489	1.1
129.10236	1.8
133.10123	1.7
136.07559	2.3
137.05984	1.4
145.04927	1.1
147.04372	0.9
154.08604	100.0
155.06998	19.5
155.07993	0.5
155.08987	1.5
167.06995	1.5
172.09663	83.1
173.27402	0.8
227.11571	0.8
255.11121	0.8
300.14328	1.7
316.13889	7.6
334.14941	14.7
349.06635	1.0
373.14185	1.0
480.20123	1.0
481.11700	1.0
481.18011	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.1688
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	6.4
69.03420	4.3
69.96974	16.7
70.06584	39.8
72.08151	15.8
79.05475	5.1
79.18689	2.4
81.03392	3.9
81.07007	2.7
82.06590	4.4
84.04495	6.6
84.08127	19.6
85.02885	12.4
86.09701	23.7
87.00822	4.2
88.03963	2.6
91.05473	62.2
93.07060	4.3
95.04948	6.0
97.02883	4.8
98.21392	5.3
100.07603	3.1
103.05444	9.8
105.01872	7.4
105.03407	15.8
105.07009	9.9
105.20109	2.6
107.04921	4.2
109.02836	4.5
109.06490	13.8
110.07140	9.9
115.05437	2.8
117.06970	2.5
119.04935	80.6
120.08113	14.1
121.06467	8.4
122.03632	3.6
123.08092	5.0
127.03905	11.1
129.10225	8.8
130.49733	2.4
131.04913	6.6
133.06487	6.7
136.07581	2.7
137.05969	100.0
142.08618	36.2
143.08954	16.0
145.05014	4.8
145.06178	4.4
146.05991	8.7
147.04399	32.0
149.05981	8.6
151.07538	38.7
153.06583	3.7
159.02696	2.8
161.05981	34.6
162.03726	8.5
162.06754	11.6
165.05498	3.4
175.07518	25.7
177.12186	2.5
179.07021	38.4
187.07542	16.7
191.08611	4.0
193.03143	5.0
193.08591	7.2
199.07111	4.5
205.08527	16.4
219.08092	6.2
231.08032	3.1
270.65744	2.9
279.10150	5.5
280.70251	2.4
291.10239	3.4
309.11243	19.1
311.12842	5.3
334.08411	6.3
341.13837	9.0
365.10178	2.8
417.09750	3.1
480.20551	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	480.1557
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51976	0.4
58.34581	0.4
69.51411	3.3
70.06580	27.5
70.18385	0.3
71.16820	0.3
77.00888	0.4
81.03413	0.4
82.99863	1.9
89.11203	0.4
94.99834	0.7
97.02837	0.6
101.00861	6.0
109.02830	0.7
112.89603	3.4
113.00835	1.3
114.89264	0.4
119.01904	15.6
120.02051	0.7
127.02393	1.3
128.05548	0.4
131.01889	4.0
137.02928	1.5
139.02411	0.8
142.03476	0.7
143.01881	12.7
145.02365	0.5
145.03448	8.4
147.01358	1.1
149.02951	0.5
152.05527	2.2
154.03546	0.4
155.01883	8.8
156.05058	2.4
157.03441	5.0
161.02939	16.7
162.03046	0.8
163.04520	1.5
167.01884	6.6
168.05215	0.5
169.03470	2.4
170.06624	14.3
171.04994	2.6
171.06573	0.7
173.02945	14.7
173.04453	0.8
174.06125	1.2
175.04498	1.4
179.01860	2.8
180.05057	2.9
181.03445	0.5
182.06627	2.0
184.04538	1.1
185.02939	34.0
186.03120	1.2
187.04555	3.9
188.07654	1.0
190.05707	0.4
191.03967	0.6
192.07173	0.9
196.04520	0.9
196.08170	0.7
197.02946	13.3
198.06093	86.8
199.04527	0.7
199.06161	3.2
203.03979	8.2
208.04549	1.0
209.02960	1.0
210.04079	0.4
210.06093	8.9
210.07855	0.3
211.06305	0.6
212.07672	0.9
215.03983	8.7
216.07152	94.4
217.07339	3.4
221.04991	0.9
222.06096	0.8
224.07631	0.5
226.05531	0.5
227.03972	8.4
228.07147	15.1
229.07330	0.6
230.08708	0.8
234.08202	16.3
238.05534	0.4
239.04019	0.9
239.06400	0.7
239.08723	5.6
240.07088	4.4
240.09186	0.4
242.08704	1.3
245.05049	100.0
246.05241	3.7
246.08200	4.2
251.08800	0.4
252.07076	0.9
257.05029	4.2
258.08218	34.0
259.08359	1.2
260.09790	0.5
263.06116	11.6
263.08475	0.4
270.08337	1.8
275.06097	9.7
276.06607	0.5
276.09100	1.8
282.08148	0.7
286.07608	1.1
288.09265	10.0
293.07138	3.2
300.09283	4.6
301.09518	0.4
305.07153	9.9
306.07278	0.5
309.88461	0.4
317.07266	0.5
318.10312	6.5
319.10471	0.5
335.08173	2.5
347.08185	0.5
360.11398	0.8
365.09247	6.6
383.10391	0.5
480.15787	3.2
481.15048	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.1557
Annotation	Unknow
Peak:m/z	Relative Intensity
65.53777	0.8
70.06581	31.6
82.99847	1.7
85.02897	1.8
85.56969	0.8
101.00852	5.9
105.65315	1.0
108.12864	1.0
112.89581	3.6
114.89286	1.3
116.07058	1.4
119.01903	17.7
131.01895	4.8
137.02914	2.5
143.01880	13.3
145.03444	8.7
146.03693	0.9
147.01369	2.0
149.03000	1.3
152.05530	2.2
155.01868	9.9
156.05061	2.7
157.03464	5.1
159.98598	1.0
161.02942	18.8
167.01849	5.7
169.03487	1.6
170.06613	16.3
171.05038	2.2
173.02930	16.7
174.06104	2.1
175.04536	1.4
179.01901	2.1
180.05054	2.7
182.06618	3.5
184.04501	1.1
185.02934	34.1
186.03316	0.9
187.04509	3.7
188.07593	1.7
192.07103	1.2
196.04716	1.3
197.02924	13.9
198.06090	80.5
199.06274	2.1
203.03981	9.9
208.04541	1.1
209.02948	1.2
210.06126	7.7
215.03986	10.7
216.07150	100.0
217.07355	3.8
221.04951	1.3
227.03975	6.9
228.07187	13.8
230.08664	1.2
233.05278	0.8
234.08180	15.5
235.08322	1.5
238.05620	1.4
239.03964	1.1
239.08734	6.2
240.07164	3.2
242.08749	1.1
245.05040	98.7
246.05243	3.4
246.08200	2.9
252.07117	1.5
257.05063	5.2
257.53864	1.0
258.08215	34.4
259.08179	1.1
263.06116	11.0
270.08127	1.8
275.06134	11.5
286.07471	1.2
288.09326	8.1
293.07233	2.3
300.09399	4.1
305.07126	9.0
318.10321	7.3
335.08237	3.1
360.11292	1.6
364.30307	0.9
365.09396	6.3
480.15341	5.1
481.13141	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	479.3
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10363	2.2
53.03933	9.8
55.01878	14.0
55.05507	61.8
57.03436	15.4
57.07057	4.2
57.50910	2.3
59.04966	3.0
65.03931	5.7
67.05501	90.7
69.03416	10.6
69.07063	33.4
70.06584	4.9
71.04981	11.3
71.73277	2.9
73.02917	2.4
79.05493	83.5
81.03420	34.9
81.07053	100.0
83.04969	15.8
83.08614	35.2
85.02889	4.7
85.06528	9.0
91.05473	78.6
91.06040	5.0
92.05835	2.9
93.07042	78.0
95.04959	82.2
95.08598	55.8
97.06526	12.2
97.10154	35.0
99.08092	3.4
101.95364	2.8
102.57280	2.4
103.05456	4.9
105.07022	56.4
106.94277	2.6
107.04953	23.3
107.08591	46.1
109.02845	3.0
109.06524	18.4
109.10136	25.1
111.04450	5.6
111.08065	11.2
115.05420	5.3
117.07011	30.0
119.04931	6.9
119.08582	33.7
121.06504	34.3
121.10123	24.0
123.04428	5.4
123.08070	16.1
123.11671	5.0
125.06044	3.7
125.09630	28.9
127.03891	3.0
128.06213	6.8
129.06992	29.4
131.04881	4.2
131.08565	40.8
133.06470	15.9
133.10121	25.0
135.08073	18.7
135.11710	16.1
137.09589	4.2
139.11198	3.5
141.06964	9.7
142.07701	3.9
143.08557	20.6
145.06482	22.2
145.10100	24.7
146.07051	2.7
147.08055	16.1
147.11638	13.1
149.09598	12.9
149.13223	16.4
151.07521	4.9
151.11232	3.2
153.09106	4.7
155.08557	13.8
157.06491	4.3
157.10100	16.8
158.07095	3.1
159.08060	10.0
159.11713	23.6
161.05882	2.7
161.09583	11.8
161.13278	4.0
163.11186	20.1
165.09116	5.4
167.08548	5.2
169.10121	10.9
169.12320	2.9
171.08029	5.7
171.11681	11.2
173.09579	4.6
173.13292	7.1
175.11176	5.1
177.09026	3.1
177.12732	16.5
179.08444	4.0
181.10103	6.9
183.11678	6.7
185.09630	3.2
185.13274	4.0
187.11191	4.1
189.09599	3.9
189.11226	17.0
189.12701	3.4
191.14365	4.2
193.10225	3.0
193.12251	12.4
195.11768	4.8
195.13817	7.5
197.13254	6.3
199.14796	7.2
201.12608	4.0
203.14325	4.4
205.12215	8.4
207.11734	3.1
207.13695	3.6
211.11345	4.3
211.13091	4.1
211.14876	4.4
213.12788	5.0
217.15866	19.4
219.13824	5.9
223.13176	12.4
225.12756	2.7
227.12770	3.9
231.13832	5.7
237.10298	2.5
239.14194	4.2
241.15970	2.6
243.13768	3.9
249.14876	9.9
254.16344	2.6
257.15335	10.0
259.58246	2.5
261.14853	2.8
263.16345	3.6
267.15924	4.5
271.17056	5.3
275.16269	3.0
289.17789	3.3
301.17996	2.8
323.23862	3.1
333.22156	3.8
341.24780	5.7
351.23172	37.0
356.40045	2.7
359.25522	3.3
369.24271	74.5
387.25290	60.7
388.25665	3.0
405.26328	14.4
415.29114	2.6
420.15500	3.4
438.17050	2.6
443.28036	23.9
444.27734	3.0
452.18262	4.0
461.29007	44.6
472.90778	2.6
479.30032	55.4
480.17490	12.2
480.30307	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.3
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	11.2
55.01849	13.5
55.05505	84.7
57.03430	17.4
65.03923	7.6
67.05499	97.5
69.03415	8.6
69.07063	35.9
70.06583	5.3
71.04976	8.6
71.14407	10.1
72.08139	8.7
79.05487	65.4
81.03400	11.2
81.07047	100.0
83.04964	13.8
83.08616	57.3
84.08131	4.3
84.08923	3.5
85.02901	7.6
85.06525	7.7
87.04451	4.1
91.05476	80.2
93.07037	69.6
95.04951	24.4
95.08593	40.6
97.02905	3.5
97.06514	12.8
97.10161	68.9
99.08099	4.4
103.05429	4.1
105.07025	73.6
107.04932	13.0
107.07922	4.4
107.08585	58.8
109.06493	13.7
109.10149	22.5
109.31265	3.2
110.50263	3.1
111.08099	6.1
115.05409	7.2
117.07004	38.8
118.06559	3.6
119.04897	3.3
119.08556	43.0
120.31674	3.3
121.06493	14.7
121.10146	22.6
123.08029	9.9
123.11665	5.7
125.09618	54.2
128.06223	8.8
129.06982	31.4
130.07748	3.4
131.08556	49.7
133.06506	11.5
133.10115	26.4
135.08029	14.6
135.11673	12.6
137.09583	5.8
139.11133	4.0
141.06958	13.0
142.07761	7.2
143.08548	39.4
143.10669	5.3
144.08031	4.1
145.06465	10.9
145.10094	29.5
146.07222	3.2
147.08026	8.0
147.11687	15.6
149.09627	10.6
149.13240	7.1
151.11162	5.8
153.09117	9.3
155.08554	18.4
157.10117	25.7
159.08023	11.1
159.11665	14.9
161.09586	5.2
163.11179	5.8
167.08507	6.3
169.10098	13.1
171.07961	3.7
171.11674	12.8
173.09601	5.4
173.13280	7.2
175.11047	6.7
177.12787	6.5
181.10121	7.4
183.11708	13.2
185.09593	3.6
185.13206	8.6
187.11169	3.9
189.11188	42.5
189.12799	4.6
189.16447	3.6
189.31950	3.3
191.10596	4.2
195.11694	4.2
195.13799	5.0
197.13237	12.2
199.14861	16.5
201.12672	12.6
205.12302	3.8
209.13113	4.5
211.14845	4.1
217.15862	37.4
219.13718	4.8
221.13191	3.9
227.12752	24.3
235.14854	3.6
235.16959	4.9
239.14270	7.5
247.17010	4.3
257.15396	4.0
259.16864	4.2
267.16156	3.8
271.16974	4.8
273.18304	3.8
275.16315	6.0
284.70956	3.8
292.22772	6.4
293.13220	4.6
333.22107	9.1
341.24564	11.2
351.23190	33.1
369.24246	47.7
387.25302	30.5
405.26285	7.2
416.60757	4.1
439.44156	3.5
443.27979	25.8
461.23166	5.4
461.28983	67.9
479.29437	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	479.3
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	7.0
55.01859	9.4
55.05506	55.4
56.96553	3.5
57.03419	8.3
57.07059	2.8
65.03938	6.1
67.05137	5.2
67.05498	85.9
69.03410	7.4
69.07062	37.0
69.81894	17.8
70.06570	9.8
71.04983	8.6
72.08122	4.1
74.93945	2.7
77.03914	2.5
79.05485	68.0
81.03406	9.2
81.07049	100.0
83.04977	11.2
83.08614	31.5
85.02900	4.5
85.06528	8.2
87.07923	2.5
91.05467	88.2
93.07034	70.3
95.04961	24.6
95.08606	49.5
97.02824	2.8
97.06526	12.5
97.10141	18.6
98.21484	2.3
99.08076	3.1
103.05451	2.9
105.07021	69.1
107.04947	18.1
107.08582	32.6
109.06515	16.5
109.10142	13.7
111.04445	5.1
111.08056	6.8
111.51257	2.3
113.16685	2.7
115.05402	4.3
117.07019	42.8
119.08556	41.2
121.06494	14.5
121.10120	25.2
123.08058	8.2
123.11678	9.6
125.09641	16.7
128.06203	11.1
128.07086	10.2
129.06993	52.2
129.17085	2.9
131.04906	2.7
131.08551	69.0
133.06445	9.7
133.10121	25.8
135.08046	9.4
135.11679	8.9
137.09566	3.9
139.11153	6.4
141.01146	3.4
141.06979	14.7
142.07744	5.9
143.08548	37.8
145.06480	11.9
145.10107	26.6
147.04422	3.4
147.08044	11.2
147.11690	17.1
149.09586	9.0
149.13232	10.2
151.11133	6.8
153.09097	3.4
155.08563	28.4
157.06454	5.8
157.10141	23.0
159.08026	6.5
159.11639	19.8
161.09586	8.7
161.13248	3.4
163.11201	9.0
165.06981	4.6
165.12741	4.8
166.07797	3.4
167.08527	9.6
169.10115	18.5
171.07986	2.9
171.11635	13.3
173.09598	7.2
173.11813	3.6
173.13211	4.8
175.11180	8.0
177.12720	9.1
179.08560	5.6
181.10103	13.9
183.08032	2.6
183.11679	14.1
185.09543	4.8
185.13261	6.3
187.14792	5.0
189.11206	10.3
193.10138	4.3
193.12256	5.2
195.11696	15.3
195.13449	2.7
197.09639	3.7
197.13303	10.8
199.14778	7.0
203.14442	2.9
207.11723	6.3
209.13168	9.5
211.14804	5.8
213.12752	6.1
213.16432	3.5
215.14380	4.5
217.15825	8.0
219.13638	3.3
221.13268	8.4
223.14818	10.4
225.16362	3.7
227.12604	5.0
229.16025	3.9
231.13863	3.1
233.15366	4.0
235.14803	5.8
239.14297	9.9
241.16042	4.5
245.15373	3.3
253.15773	4.2
257.15326	7.8
259.16965	4.4
267.15839	3.8
271.16946	11.6
275.16144	3.8
275.20047	8.4
283.16821	4.0
285.18491	4.2
315.20987	3.1
323.23694	7.0
333.18631	3.4
333.22083	20.7
341.24698	8.9
351.23141	45.8
369.24243	50.7
387.25247	35.9
405.26169	4.2
435.23126	3.7
443.27945	22.6
452.30295	4.4
461.28964	40.6
479.30719	33.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2167
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05032	79.3
57.03440	2.6
58.06591	10.2
61.01145	52.3
65.20494	1.7
65.78144	1.6
70.02966	3.0
71.13258	1.7
71.13586	2.9
73.02918	3.2
73.45008	1.4
74.06075	100.0
82.06586	2.9
84.04513	11.1
86.06052	2.3
86.09698	37.5
88.03990	6.1
99.05571	2.7
100.07618	2.0
101.07114	3.4
104.05322	94.3
108.04483	10.1
110.06041	6.5
111.05564	2.2
112.11259	2.0
112.81834	1.8
125.07104	6.0
126.05515	25.2
126.24879	1.6
127.08656	3.2
129.06619	4.4
130.04987	3.3
130.06889	4.5
130.08629	2.0
132.10190	23.9
136.03931	3.0
138.05522	2.1
141.13849	3.9
143.04634	1.7
144.06541	19.8
145.06068	2.6
153.06587	3.7
156.04718	9.3
158.11754	4.4
169.13300	9.2
171.07663	6.4
173.07492	1.8
174.05821	21.6
187.14371	9.5
189.08694	13.4
197.12851	5.4
199.07188	3.2
201.06929	22.2
202.05312	5.5
205.70688	1.9
215.13904	39.5
217.08162	21.8
219.07976	18.7
233.14944	74.3
243.13467	5.3
247.07475	48.6
267.70709	1.7
284.15897	4.3
299.10425	1.7
302.11575	2.1
330.11169	5.8
330.16638	21.3
348.12259	24.4
348.17172	3.5
415.20142	2.6
443.19604	7.2
461.20627	14.8
479.21793	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	479.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	0.4
56.05030	0.4
59.44788	0.5
65.72739	0.5
66.07250	0.5
69.03420	1.0
69.71295	0.6
69.71693	3.0
70.06570	1.8
72.08146	1.0
76.91953	0.5
79.05460	0.6
80.04996	0.7
81.03419	1.0
81.55045	0.5
82.06590	0.7
84.08147	0.5
85.02892	2.5
86.09707	0.8
89.07127	0.7
91.05470	8.4
93.07033	1.2
94.06561	3.0
96.08138	2.9
97.02890	1.3
98.20713	0.5
104.13064	0.5
106.06565	0.7
108.08114	6.0
110.07158	0.5
110.09663	3.9
116.04964	8.0
117.05769	3.0
118.06554	3.5
120.08092	6.3
122.05994	3.2
124.07583	4.0
126.49557	0.4
132.08047	0.6
134.06020	1.3
136.07567	3.0
137.02283	0.6
138.09084	4.6
143.07268	0.6
144.08087	1.2
146.06033	2.8
148.07542	3.7
150.09200	0.5
154.08591	1.4
162.10469	0.5
164.07060	24.5
166.08644	8.4
172.07562	1.8
193.08839	1.0
195.09070	0.8
197.10730	0.8
198.94086	0.5
203.03546	0.6
208.11189	2.1
209.10658	2.4
210.11487	7.2
220.09972	1.4
221.08278	1.3
221.10616	1.1
223.12386	1.2
224.13033	2.8
225.10332	0.7
225.13858	11.5
226.14214	0.5
235.12294	2.5
236.10681	1.0
237.10237	0.9
238.10982	2.8
241.13394	0.8
252.12584	0.7
253.13348	28.0
254.13820	1.2
271.14371	8.7
273.16180	0.8
281.12830	18.0
299.13873	100.0
300.14221	3.5
317.14935	2.2
337.06927	1.1
351.08823	0.6
365.06412	1.0
395.07724	0.7
443.18127	0.7
461.09274	0.6
461.18951	0.9
479.09784	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	479.1736
Annotation	ZHD-0501
Peak:m/z	Relative Intensity
63.51522	1.3
70.06599	1.7
71.45083	1.2
71.49721	1.3
71.61488	1.4
71.74097	1.4
71.74536	1.7
84.04510	1.6
84.08131	2.6
85.02891	1.6
86.06054	3.1
106.06516	2.2
110.07201	2.7
120.08089	3.1
134.06027	3.0
134.78955	1.6
136.06206	1.7
145.03400	2.1
151.02246	1.4
152.06911	2.3
154.44867	1.3
161.02924	2.3
169.03468	5.3
172.95180	2.1
173.03008	1.4
176.04613	1.7
187.04543	7.8
187.05963	1.3
214.96237	2.0
229.05672	2.7
249.28329	1.4
289.07639	6.4
316.99493	1.6
324.99246	1.4
333.11395	2.5
417.17249	19.4
419.15173	3.3
442.10358	1.8
479.17340	100.0
480.17657	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	479.1775
Annotation	nonacene
Peak:m/z	Relative Intensity
53.03941	0.7
54.03466	2.8
55.01873	0.4
56.05018	0.7
59.06118	0.6
69.03432	2.1
70.06585	4.1
71.66308	0.7
72.08158	2.1
72.08503	0.4
73.02914	0.4
80.05017	1.1
81.03488	1.8
81.04533	35.7
82.05327	0.9
82.06542	0.4
84.04495	1.0
84.08135	1.1
84.09307	0.3
85.02901	2.8
86.09712	1.5
87.05602	0.8
91.05481	0.5
96.05637	0.4
97.02878	1.5
99.04487	0.5
107.04927	0.9
109.02876	1.7
109.05285	0.4
110.06034	7.7
110.07140	1.9
120.08120	0.4
122.07142	100.0
123.07934	14.0
127.03898	2.1
129.10248	0.4
129.63919	0.4
130.05022	1.1
133.06052	0.4
134.06044	1.1
135.08054	0.5
136.07591	1.2
137.02330	0.8
145.05013	0.5
148.07570	0.6
152.07021	0.9
162.29243	0.4
164.07063	0.6
173.07037	0.8
178.08658	0.4
179.06886	0.4
200.07040	0.9
214.09789	0.8
229.10861	1.1
230.11598	1.1
231.12392	28.4
263.16446	0.5
273.13342	0.9
299.05188	0.4
317.15277	0.4
332.14224	0.5
337.07053	0.5
340.10236	0.7
350.15790	0.5
358.11316	3.4
365.06458	1.0
369.69193	0.5
393.17694	2.2
435.18744	25.4
461.08820	0.7
461.15610	0.9
479.09927	1.7
479.17538	21.0
479.28751	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1028
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06160	2.5
53.03936	9.3
53.12420	2.5
55.01843	3.2
57.03427	5.1
61.02909	3.3
62.74978	2.7
68.99778	7.4
69.03423	42.3
70.06554	3.3
71.04987	6.9
71.75477	3.3
73.02882	3.2
74.09707	5.1
81.03416	60.7
81.07054	4.1
83.04973	7.9
85.02902	56.3
86.09690	3.9
87.00798	13.9
91.05452	3.3
95.04964	4.2
97.02893	13.1
99.04470	18.8
105.01866	7.7
109.02866	45.1
111.04391	6.7
127.03906	100.0
129.01848	4.6
137.05928	5.5
145.04955	4.2
151.07513	2.6
153.60899	2.4
169.04916	6.4
171.02859	3.7
176.73169	2.6
189.03926	5.4
213.03929	14.9
231.05006	8.7
298.01437	2.7
301.51321	2.4
302.15814	2.6
376.77859	2.8
443.08099	3.1
461.09412	16.4
492.57742	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	479.1028
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	8.2
55.01853	4.8
55.05492	2.8
57.03429	6.1
61.02908	4.3
65.03941	1.2
67.05496	3.0
68.99783	7.1
69.03423	45.0
69.66809	3.9
69.67234	5.2
70.06593	6.2
71.01335	3.1
71.04990	8.3
72.08136	1.4
73.02900	3.7
81.03410	52.1
82.06538	1.6
83.04964	10.4
84.08118	1.9
85.02896	59.3
86.09687	3.8
87.00815	19.8
91.05456	4.9
95.04955	3.3
97.02876	16.3
99.04453	17.6
103.03901	3.6
105.01842	6.2
109.02864	45.1
111.04431	7.8
113.02367	2.6
120.08066	1.3
123.04424	3.4
123.71191	1.2
125.02312	2.9
127.03901	100.0
128.04250	1.4
129.01810	2.1
129.05486	1.3
132.55423	1.1
137.05977	1.3
139.03928	1.8
141.05446	1.9
142.08603	7.1
145.04933	4.3
147.02876	1.3
151.03889	2.0
159.02766	1.3
169.04912	6.3
171.02922	3.3
173.04439	1.6
187.05983	5.9
189.03917	10.9
193.04980	1.9
213.03941	10.7
231.04948	9.7
235.06039	1.9
255.05000	3.0
273.05966	6.9
310.17792	1.4
326.20386	1.6
339.06979	3.0
353.75497	1.2
357.08044	1.7
443.08206	3.0
461.09186	12.7
479.20490	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	479.1025
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	11.0
55.01860	6.3
55.05497	4.2
57.03417	7.6
61.02907	5.0
67.05495	2.9
68.99786	8.7
69.03422	63.3
69.37370	1.7
69.66721	9.7
69.67146	4.0
70.06575	8.0
70.06932	2.0
71.01347	4.3
71.04982	10.4
71.06089	2.0
72.08145	2.9
73.02896	5.9
79.05504	2.9
81.03407	68.5
83.01320	2.0
83.04960	13.1
84.04478	2.1
84.08147	4.4
85.02376	4.1
85.02895	78.8
86.09692	6.3
87.00825	22.2
91.05441	2.3
92.71508	1.6
95.04946	6.6
97.02876	23.9
98.03207	1.9
98.06068	1.9
98.07159	5.3
99.04443	20.2
99.05495	2.3
103.03942	4.0
105.01852	8.8
105.07018	1.7
107.04940	1.9
109.02162	3.8
109.02869	53.6
111.04427	11.1
120.08094	4.1
121.02873	2.5
123.04405	5.2
125.02339	3.8
127.03899	100.0
129.01788	5.3
129.05518	2.6
137.02328	1.8
137.05978	3.1
139.03810	2.2
141.05481	2.3
145.04953	7.1
147.02846	2.2
147.04500	2.2
149.02328	2.1
151.03848	3.2
159.02917	1.9
161.05809	2.0
163.03935	2.0
169.04929	7.5
171.02888	7.1
187.06004	4.6
189.03937	11.6
189.05388	2.6
213.03915	12.5
229.06975	1.9
231.04913	6.4
231.98628	2.1
235.05917	1.8
235.79996	1.7
247.95923	2.0
255.04887	2.4
273.06009	10.9
321.05740	1.9
339.06989	2.6
443.07700	3.3
461.09033	8.5
473.87292	1.9
478.33499	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	478.2924
Annotation	LysoPE(0:0/18:2(9Z,12Z))
Peak:m/z	Relative Intensity
55.05503	4.9
57.03425	1.4
57.72131	1.0
58.37515	0.6
62.06084	9.0
67.05498	9.8
69.07066	7.1
70.20422	0.9
70.21031	3.3
79.05482	3.4
81.07054	9.7
83.08604	3.3
85.05264	1.1
86.06059	1.0
91.05501	1.4
93.07032	2.5
95.08597	6.4
98.06046	7.8
98.98447	3.4
109.10132	2.2
116.52194	0.8
119.08549	0.9
121.10098	1.4
123.11668	0.9
154.12378	1.0
155.01006	1.6
182.15558	1.1
204.64944	0.8
208.16919	1.0
263.23703	1.7
274.68945	0.8
306.27890	100.0
307.28189	2.4
337.27341	28.4
434.77243	0.8
475.03326	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2924
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.6
55.05507	15.5
57.03434	8.1
57.07062	2.2
62.06088	1.0
65.03920	0.8
67.05502	30.3
69.07066	20.0
69.97543	1.3
69.97957	1.6
71.04985	1.0
71.08614	1.0
79.05494	8.4
81.07053	27.4
83.04976	1.2
83.08620	7.8
85.05284	1.1
85.06536	0.8
91.05476	5.7
93.07044	6.8
95.08599	19.8
97.06521	1.7
97.10170	3.8
98.06048	6.6
98.98434	1.8
100.47150	0.7
100.50224	0.5
105.07034	4.0
107.08581	4.4
109.10151	7.7
111.08080	1.1
111.11690	0.7
112.07590	0.8
119.08598	3.0
121.10101	3.5
123.11725	3.1
133.10114	2.5
135.11678	1.5
137.13228	1.0
143.46779	0.6
147.11667	1.7
161.13255	1.0
167.78249	0.5
175.14813	1.3
176.74957	0.6
216.06387	1.1
222.18402	0.6
245.22647	0.8
262.77023	0.6
263.23636	1.6
303.05206	0.6
306.27887	59.3
307.28394	1.4
337.27344	100.0
338.27658	3.7
391.36429	0.6
403.32602	0.6
425.40875	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2646
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25224	1.2
53.03943	1.1
53.46093	1.0
55.05508	8.2
57.03431	1.1
57.07068	4.1
67.05512	5.0
69.03419	2.8
69.07063	12.8
70.86847	2.6
77.96565	0.8
79.05483	7.7
79.38647	0.9
81.03400	2.8
81.07057	14.0
83.08624	8.5
85.02896	7.7
87.00826	3.6
91.05491	6.0
93.07037	20.8
94.74500	0.8
95.04987	0.9
95.08003	2.1
95.08602	39.3
97.02878	2.7
97.10161	4.2
99.04487	1.3
105.01875	9.3
105.07045	7.0
107.08591	51.9
108.08915	1.4
109.02814	1.3
109.06532	1.3
109.10148	9.0
111.08081	1.2
119.08554	1.7
121.10137	86.1
122.10471	2.0
123.08089	1.3
123.11691	6.4
125.09651	2.5
127.03925	5.7
135.11684	15.5
136.55028	0.9
137.09767	1.1
137.13245	34.2
139.11174	2.6
145.04918	3.9
149.13274	6.6
177.16379	100.0
178.16757	2.6
194.27898	1.0
195.17447	18.4
231.04987	3.5
249.06094	2.9
256.05051	1.0
267.11368	1.5
285.12363	1.5
340.81757	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2644
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76124	1.0
53.03943	3.6
55.01872	7.8
55.05503	2.7
57.03430	4.2
60.04543	1.7
61.02922	5.7
67.05502	2.6
67.60030	1.1
68.99760	1.6
69.03421	30.3
69.07063	8.8
70.01313	6.1
70.06586	4.6
71.04984	4.8
72.08146	1.4
73.02912	4.1
75.89748	1.2
79.05481	4.5
81.03412	19.1
81.07049	13.5
83.08614	4.9
84.04490	1.1
84.08144	2.6
85.02897	88.0
86.09709	3.0
87.00824	34.7
87.01361	1.9
88.41044	1.0
91.03929	1.4
91.05480	4.1
93.07042	7.9
95.08596	24.1
97.02883	22.0
97.10166	2.6
98.20772	2.0
99.04446	12.4
99.08080	2.1
105.01859	82.1
105.07008	2.6
107.08581	21.3
109.02865	27.5
109.10143	6.4
120.08095	2.2
121.06493	1.6
121.10126	37.3
126.05424	1.3
127.03904	67.4
129.01814	2.7
135.11653	6.4
137.05939	5.7
137.13263	6.5
145.04935	29.2
149.05975	2.0
149.13261	3.9
159.02898	10.2
160.79155	1.1
161.05928	1.7
163.07584	1.7
171.02811	1.6
174.21651	1.1
175.14757	1.7
177.05460	1.5
177.16368	100.0
178.16754	3.2
189.03973	4.6
195.17424	42.8
196.17886	1.4
213.03957	5.1
213.14806	1.4
231.04970	28.2
232.05429	1.3
234.26953	1.2
245.54427	1.2
249.06023	11.9
256.13159	1.1
273.11298	1.9
479.18964	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2646
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	4.9
55.01857	5.2
55.05503	7.7
55.13865	1.1
57.03424	4.0
61.02914	4.7
64.62273	0.9
67.05493	7.9
68.99778	1.5
69.03424	20.6
69.07062	14.3
69.72205	8.4
70.06590	2.4
71.04984	3.1
72.08135	1.3
73.02901	4.8
79.05485	9.3
81.03405	16.2
81.07047	14.0
83.08611	10.6
85.02897	55.1
86.09708	1.1
87.00822	24.3
91.03951	1.9
91.05455	5.0
93.07033	21.4
93.07583	1.5
95.01297	1.2
95.04958	2.2
95.08594	41.8
95.09207	2.1
96.08923	1.3
97.02883	19.1
97.10164	4.8
98.20702	2.2
99.04442	9.1
103.05499	1.0
105.01859	32.3
105.07047	5.9
105.07626	1.1
107.08582	49.3
109.02860	17.2
109.06489	1.5
109.10147	10.9
114.10260	1.4
117.01833	2.1
118.11486	1.2
119.08591	2.1
121.10136	79.6
123.08039	1.1
123.11690	4.0
127.03899	32.5
129.01834	3.1
133.10143	1.3
134.09586	1.0
135.11690	15.7
137.13252	10.8
145.04939	16.2
149.13257	6.6
159.02884	8.7
177.16370	100.0
189.03946	1.9
195.17419	19.9
211.08383	1.2
212.09270	1.3
212.10977	1.1
213.04021	1.8
213.10211	1.6
225.10246	1.2
227.11794	2.4
229.13293	1.2
231.05026	8.1
239.11761	4.1
241.13345	3.7
242.14017	1.2
249.06128	3.4
255.11295	2.1
267.11230	11.0
271.10583	2.1
273.12256	1.8
285.12262	13.3
303.13391	4.1
322.72159	1.1
343.56396	1.2
417.16785	1.3
461.15732	2.6
479.16599	6.3
479.27753	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.1606
Annotation	(+)-duocarmycin SA
Peak:m/z	Relative Intensity
55.01852	2.4
55.05495	4.7
57.03428	2.2
61.74535	1.2
67.05492	6.8
69.03419	2.5
69.07054	4.3
70.06583	2.0
71.73394	1.8
72.08120	1.7
74.93031	1.1
79.05500	8.4
81.03406	3.8
81.07042	12.7
82.07363	1.8
83.04968	2.4
83.08605	2.5
84.04489	1.3
84.08128	3.1
85.06520	2.2
86.09705	1.3
89.05984	1.3
89.14207	1.2
91.05493	7.5
93.07040	8.8
94.07388	2.5
95.04958	4.2
95.08580	7.1
95.81098	1.3
99.08064	1.4
103.05464	4.9
105.07021	4.2
107.04938	3.2
107.08578	5.9
108.08900	2.0
109.10141	5.6
110.10551	1.4
117.06978	2.3
119.08562	5.0
120.08070	2.0
121.06522	1.5
121.10096	2.2
123.08083	3.1
127.03922	1.8
131.08578	2.2
133.10150	3.5
135.08069	2.1
135.11732	1.5
136.06180	7.6
138.13557	1.5
139.07536	1.6
140.04967	3.2
147.11662	3.7
151.07558	3.0
154.06464	1.6
155.06047	23.7
157.10179	2.3
161.09569	1.5
161.13152	1.4
165.09079	7.4
166.08029	1.4
167.06046	6.1
168.06804	3.9
169.07597	45.2
170.06013	3.3
171.11658	1.5
173.13205	1.7
177.21887	1.5
179.06012	13.6
180.06680	1.5
181.07652	3.1
182.05971	1.9
182.08372	1.8
183.05550	19.3
183.09186	3.2
184.07613	1.9
185.07098	10.6
191.10698	1.5
192.06715	1.7
193.07594	13.7
194.06000	2.0
195.05531	27.9
196.06296	17.1
197.07092	32.9
198.05508	9.0
201.06596	2.2
207.05504	9.6
207.13802	2.6
208.06339	2.2
209.07089	5.5
210.08020	1.3
211.05031	1.6
211.08636	8.0
212.07187	1.3
213.06593	26.7
221.07094	20.9
222.07448	1.5
223.05078	2.2
224.05705	2.0
225.06584	60.2
226.07181	2.4
229.06053	27.9
237.06516	7.3
238.07417	5.2
239.04524	4.6
239.08113	32.4
241.06073	5.7
243.07655	7.0
249.06596	11.4
253.06068	5.2
255.07651	1.6
257.05548	4.7
265.06134	3.0
267.07657	19.0
269.05606	4.5
271.07123	37.5
277.05975	13.4
281.17465	4.0
283.07016	1.9
285.08664	29.6
295.07126	36.0
300.90878	1.3
313.04492	2.6
313.08157	43.0
331.09311	10.7
345.61508	1.3
351.17886	2.0
368.23135	1.5
372.13470	4.5
386.24042	3.9
404.24875	1.5
414.14496	9.9
418.13925	60.2
419.14093	2.0
424.25699	1.6
432.15579	23.8
442.13974	2.5
442.25806	1.5
460.15002	61.4
460.27417	2.9
461.15485	3.1
478.16031	100.0
478.28513	6.1
479.16165	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.4089
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24932	7.6
55.05509	19.5
57.07072	11.2
67.05498	31.7
69.07076	31.9
71.04970	11.2
71.08614	9.8
71.75637	8.1
79.05483	20.8
81.07047	100.0
83.08595	13.3
91.05469	21.8
93.07037	75.7
95.08588	96.8
105.07018	55.6
107.08583	67.1
109.06517	9.5
109.10146	54.6
111.08083	17.4
119.08568	64.2
121.10137	52.6
123.11677	25.8
125.05968	10.1
131.08572	15.5
133.10120	22.4
135.11670	21.0
139.07474	17.6
145.10120	30.6
147.11679	24.3
149.13261	42.8
157.10143	13.5
159.11671	34.3
161.13206	33.0
163.14862	25.1
165.16357	8.3
171.11696	8.3
173.13274	21.3
175.14822	14.4
177.16434	8.6
187.14824	19.1
189.16463	17.0
194.67947	6.2
199.14839	11.7
201.16327	10.6
203.17982	23.3
215.17934	10.3
217.19519	14.5
229.19557	9.8
257.22641	12.7
283.24277	7.5
303.39413	7.1
325.28778	6.8
445.36407	15.6
477.34058	8.8
477.40808	57.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.3931
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	1.2
55.05499	11.2
57.06800	1.6
57.07066	25.2
67.05499	5.9
69.07056	20.3
71.04983	1.3
71.08244	1.5
71.08622	22.0
71.75207	0.9
79.05469	3.2
81.07040	14.7
83.08595	11.5
85.10165	10.9
91.05489	2.7
93.07027	4.9
95.04979	1.3
95.08599	13.3
97.02861	1.1
97.06518	3.4
97.10153	8.5
99.04427	3.9
99.11743	1.1
105.07018	6.0
107.04921	2.0
107.08581	5.9
109.06492	11.3
109.10133	4.5
109.42406	0.9
111.08047	2.0
111.11713	4.0
119.08542	4.2
121.10132	3.4
122.31490	1.1
123.08056	10.6
123.11703	3.4
124.07558	1.7
125.05983	12.7
125.09560	1.7
125.13277	1.8
127.06562	2.0
127.07533	39.3
131.08583	1.2
133.10139	1.9
135.08047	2.7
135.11728	1.2
136.07567	3.2
137.05913	2.4
137.07916	1.4
137.09592	2.9
137.13264	1.3
139.07518	100.0
140.06993	1.9
145.10094	1.3
147.00110	1.1
147.11656	2.4
148.74612	1.1
149.05994	4.5
149.09608	2.6
151.07533	4.9
151.11140	1.5
159.11728	1.5
163.07430	1.9
163.14757	1.3
165.09116	2.3
165.12817	1.1
167.07008	6.2
169.08620	1.2
175.11078	1.7
177.09085	10.8
177.16386	1.3
189.12730	1.2
191.10524	1.0
193.12233	1.2
205.12253	1.2
207.13771	1.6
222.14938	1.8
223.15248	2.7
244.70439	1.1
247.16946	1.2
249.14864	1.4
301.28922	3.8
312.06693	1.1
319.29932	11.3
347.33002	15.1
373.30847	5.7
375.36417	1.6
399.36182	2.0
403.35919	1.6
417.37222	15.8
427.35727	3.5
445.36703	33.1
446.37494	1.4
459.36957	6.3
477.39355	52.1
478.39691	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.3207
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.2
53.29269	0.4
55.01860	1.1
55.05508	6.2
57.03429	0.9
57.07057	0.7
65.03894	0.6
67.05499	12.9
69.03422	1.8
69.07069	3.7
70.06577	1.4
71.04975	1.7
71.48360	0.4
71.73423	0.7
72.08150	2.0
79.05492	7.0
81.03413	2.5
81.07051	12.6
82.07380	0.5
83.04958	2.8
83.08601	2.9
84.08151	0.4
85.02898	1.1
85.06535	1.3
86.09692	1.1
89.06006	0.5
91.05474	5.3
93.07039	7.1
94.07347	0.5
95.04969	3.2
95.08595	16.2
96.08957	0.8
97.02884	0.5
97.06490	1.3
97.10175	3.4
99.08083	0.9
104.10756	0.6
105.07024	6.8
107.04948	1.9
107.08580	4.9
108.05730	0.8
109.02898	0.4
109.06507	1.1
109.10147	12.0
110.10490	0.5
111.04464	0.9
111.08073	1.2
113.09614	0.7
115.05453	0.9
117.07021	2.6
119.04932	0.6
119.08572	4.3
121.06506	2.8
121.10140	3.5
123.04466	0.7
123.08062	10.7
123.11707	6.7
125.09615	1.9
129.06999	1.8
131.04903	0.6
131.08562	3.9
133.06500	0.9
133.10127	2.7
135.08040	2.2
135.11664	1.7
137.05960	0.6
137.09610	3.9
137.13228	1.0
139.07494	0.6
139.11325	0.6
141.06970	0.9
142.07744	0.5
143.08531	1.5
145.06483	1.2
145.10135	2.6
147.08025	1.4
147.11737	2.1
147.12936	0.3
149.09612	2.2
149.13254	1.3
151.07529	100.0
152.07909	1.3
153.09103	0.5
153.12764	0.6
155.08537	1.1
157.10115	1.1
159.08073	0.7
159.11699	1.3
161.09613	3.3
161.13239	0.6
163.07614	0.8
163.11171	1.6
163.14798	0.5
165.09091	12.1
165.10439	0.8
165.12738	0.8
166.09442	3.4
167.07088	0.5
167.09663	1.7
168.09358	0.5
169.10115	1.3
171.08035	0.7
171.11600	1.1
173.09576	1.2
173.11681	1.1
173.13060	0.6
175.11154	3.9
177.09042	2.0
177.12738	0.9
177.16467	0.5
181.10065	0.6
183.69231	0.4
187.11194	1.4
189.11113	1.1
189.12735	2.4
191.09036	0.9
191.10661	8.5
193.12274	0.9
195.11639	0.5
197.13133	0.4
199.11166	1.8
201.09064	0.4
201.11115	0.9
201.12782	0.7
203.10767	2.0
205.12224	4.8
209.09766	0.6
209.11681	0.7
213.12607	0.6
215.10640	0.4
215.14305	0.6
217.12157	1.0
219.13824	0.5
223.15163	0.4
227.12747	1.4
231.13771	0.6
233.15334	1.3
243.17505	1.0
267.15985	1.0
281.24863	0.5
285.18271	0.8
293.24756	0.5
303.19547	3.4
339.22998	0.8
349.21378	1.0
357.24323	0.5
367.22537	2.4
385.23627	3.5
395.29645	2.0
403.24878	1.1
413.30301	3.1
423.28638	0.5
431.31458	0.9
459.26602	3.0
477.22211	0.4
477.28336	6.3
477.34375	0.7
478.28412	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.3055
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	4.0
55.05505	26.8
57.03441	4.6
57.07065	6.7
61.02903	2.3
63.00017	2.1
65.03944	2.4
67.05502	53.8
69.03411	5.7
69.07057	31.8
70.04060	7.8
70.06575	10.8
71.04989	24.1
71.14693	5.7
72.08136	8.0
72.78775	1.9
77.43117	2.0
79.05477	30.8
81.03419	17.5
81.07048	100.0
83.04961	2.8
83.08612	19.0
84.08130	6.6
85.02880	7.9
85.06509	10.9
86.06024	2.1
89.07116	3.3
89.80410	2.1
91.05457	12.7
93.07029	49.5
93.07588	3.9
94.06597	3.7
95.04953	8.2
95.08592	94.7
97.02879	4.2
97.06518	5.8
97.10163	20.7
99.04452	10.4
105.07016	22.8
107.08579	45.7
108.08099	2.1
108.08831	2.0
109.02902	5.5
109.06492	7.0
109.10139	61.6
111.08054	9.9
111.11698	6.4
113.09650	2.5
117.06971	3.7
117.69901	2.1
119.08584	17.2
121.06485	6.1
121.10137	29.7
121.77376	2.1
123.08054	13.4
123.11691	50.2
125.05999	2.1
125.09630	12.1
126.87701	2.5
127.11189	2.5
129.09155	2.5
131.08551	7.9
133.10104	14.4
135.07986	3.1
135.11691	35.6
135.77237	2.2
137.05963	3.6
137.09616	4.7
137.13284	12.1
139.07562	3.2
139.11185	5.3
145.10109	7.8
147.08005	2.9
147.11649	13.6
148.07588	4.8
149.09552	3.4
149.13260	17.4
151.07524	77.7
151.11107	6.2
151.14786	5.9
154.08617	5.6
155.08525	3.3
157.10129	3.4
159.08067	3.6
159.11696	7.7
161.09612	4.2
161.13255	10.3
163.11195	5.2
163.14816	30.6
165.09091	11.6
165.12718	9.3
167.07082	3.6
169.12192	3.2
172.09711	2.6
173.13286	4.8
175.11180	2.2
177.16386	5.4
179.14302	4.4
181.15903	2.9
183.13699	2.8
187.07617	5.0
187.11302	2.6
187.14862	4.5
191.10669	9.9
191.17938	3.5
201.11176	2.4
205.12184	2.9
217.12477	2.7
233.22639	14.2
243.21063	15.3
261.22110	13.1
271.09723	2.8
279.23151	32.8
293.24786	2.8
297.24252	15.8
302.75406	2.7
367.22641	3.3
385.85962	2.2
405.28485	2.6
406.28891	3.2
408.37396	2.5
423.28961	3.6
441.30124	4.8
459.28787	7.4
477.36459	5.5
478.24402	3.2
488.17896	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2841
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	7.0
55.01868	15.9
55.05507	100.0
57.03435	13.2
57.07064	2.9
58.67676	2.1
59.04984	3.4
65.03940	5.2
67.05502	96.0
69.03432	14.4
69.03745	2.4
69.07059	29.3
70.06598	5.1
71.04978	5.8
71.73132	2.8
71.73520	2.7
72.08138	4.4
73.06557	3.4
77.03911	2.7
79.05489	93.8
79.55973	2.2
79.78717	2.3
81.03410	24.2
81.07050	95.4
82.07368	3.3
83.04963	18.4
83.08610	63.7
85.02887	5.3
85.06539	5.6
89.06045	2.5
91.05473	77.0
91.06044	3.8
93.07036	57.0
95.04949	22.5
95.08601	37.4
97.02885	6.1
97.06517	10.6
97.10159	80.2
103.05457	10.0
105.07020	63.6
107.04935	19.6
107.08585	52.8
109.06511	13.5
109.10161	22.3
111.04414	6.0
111.08095	7.8
115.05450	9.7
117.07008	54.4
119.04984	5.6
119.08576	33.6
121.06501	14.7
121.10121	21.5
123.04435	3.2
123.08067	8.5
123.11718	7.3
125.09613	66.3
127.07516	3.0
128.06209	10.3
129.06993	31.4
131.04916	6.3
131.08556	53.4
133.06519	11.5
133.10117	19.0
135.08055	16.7
135.11676	9.3
137.05858	2.6
137.09624	4.5
140.28809	2.6
141.06984	13.4
142.07755	2.6
143.08569	20.1
143.10626	2.7
145.06453	22.5
145.10106	29.0
147.08028	11.7
147.11639	14.6
149.09595	10.3
149.13283	7.8
153.09106	10.4
153.12776	4.1
155.08540	19.3
157.06503	8.0
157.10080	15.5
159.08037	10.2
159.11690	9.9
161.05930	4.3
161.09520	2.5
161.13231	3.0
163.11101	12.1
165.08978	3.3
165.12764	5.9
167.08528	6.7
169.10091	11.7
171.08072	8.9
171.10165	5.6
171.11658	10.3
173.09616	4.9
173.13283	6.1
175.11189	5.9
177.12704	4.6
181.10092	4.7
183.11659	4.8
185.09555	5.0
185.13304	6.1
187.07553	3.0
187.11163	4.5
187.14754	12.1
189.11212	56.2
189.12784	3.5
190.97011	2.7
191.10582	2.7
193.12230	7.0
195.11694	5.9
195.13594	3.0
197.09615	3.7
197.13261	16.1
199.11165	7.6
205.10188	3.4
207.11743	3.4
209.11719	7.3
213.12740	5.6
215.14299	40.4
216.14592	3.6
217.12172	4.2
227.12639	21.2
231.13773	6.9
233.15359	22.6
237.12781	5.5
245.13271	2.6
255.13724	4.3
257.15411	3.3
259.13541	2.9
259.84045	2.4
267.15863	5.1
271.17224	2.9
273.14813	6.8
287.16324	3.9
304.26410	3.8
305.26611	19.5
321.22098	3.7
331.20572	3.1
339.23135	16.5
349.21619	20.8
357.24255	6.8
367.22638	53.1
385.23718	54.5
403.24707	25.1
441.26175	11.9
456.31268	2.7
459.27448	74.9
460.27878	3.1
477.28531	76.1
477.34802	4.5
478.29108	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	477.2734
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.0
55.01870	2.9
55.05507	19.0
57.03428	2.8
65.03915	1.1
67.05502	22.6
69.03406	2.0
69.07063	8.3
70.06580	1.7
71.04952	1.3
71.29176	2.7
72.08139	1.3
73.78251	0.9
79.05482	17.9
81.03407	11.9
81.07048	26.4
83.04970	4.3
83.08614	11.8
85.02900	1.0
85.06569	1.8
87.04465	1.9
87.04958	1.0
91.05468	19.8
93.07028	13.9
95.04964	7.9
95.08606	9.3
97.06519	2.4
97.10162	14.3
99.08053	1.2
105.07014	21.1
106.06561	4.5
107.04961	3.1
107.08578	12.5
109.06509	3.0
109.10138	5.0
111.08078	3.2
113.06046	1.1
115.05414	4.4
115.18530	0.9
117.05733	2.0
117.07014	13.3
118.06531	42.2
119.04932	1.9
119.08554	9.1
120.08075	1.0
121.06487	4.1
121.10147	6.5
123.08052	2.8
123.11712	4.8
125.09624	11.1
128.06174	1.9
128.98602	1.0
129.06992	6.2
131.04959	1.2
131.07378	5.5
131.08551	11.5
132.08089	3.6
133.06488	3.1
133.08778	1.4
133.10127	3.5
134.09645	1.4
135.08070	3.8
135.11705	3.6
141.06972	1.4
142.06516	4.0
143.07330	3.5
143.08559	3.1
144.08073	20.2
145.06471	7.2
145.10146	5.2
146.05995	71.9
146.09621	5.1
147.06351	1.9
147.08084	2.2
147.11676	8.0
149.09619	2.0
149.13261	2.8
153.09094	1.5
155.08559	3.8
157.06456	1.5
157.10089	3.1
159.08072	2.0
159.11734	1.8
160.11201	7.4
161.09714	1.4
163.11221	3.5
165.09041	1.0
165.12740	3.7
167.08566	2.2
169.10156	2.6
170.06030	6.2
171.08064	2.2
171.10272	1.4
171.11638	2.1
173.09639	1.4
174.12743	1.1
175.11256	2.0
183.11664	1.2
185.13290	1.8
187.11226	1.0
187.14848	2.3
188.07062	35.8
189.11241	11.8
193.12238	4.2
195.11685	2.0
197.09666	1.1
197.13269	2.9
199.11316	1.2
202.15817	1.1
209.11641	1.6
209.13342	1.2
215.14319	2.8
225.12665	1.2
227.12674	5.1
227.14716	1.2
233.15347	7.0
244.20612	10.1
249.14732	1.2
255.13722	1.8
257.15323	1.6
258.50784	1.1
265.19907	1.2
267.15900	2.4
272.20065	82.7
272.99960	1.3
273.14810	3.0
273.20471	3.5
290.21115	100.0
291.21487	3.2
321.21866	1.1
330.20706	2.1
336.05685	1.0
339.23212	2.2
349.21579	6.9
357.24310	1.7
367.22632	9.7
385.23816	9.8
403.24792	6.8
459.27274	11.8
477.27695	89.8
478.27686	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2344
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.7
55.01862	6.4
55.05507	34.2
57.03428	7.8
57.07071	6.3
59.04999	3.9
61.02927	4.0
65.03934	6.5
67.05498	42.1
69.03425	24.1
69.07062	25.4
70.06579	8.6
70.40720	11.3
71.04984	12.9
72.08137	4.7
73.02886	3.1
79.05486	23.2
81.03420	17.7
81.07048	57.2
83.04963	28.9
83.06805	2.5
83.08614	23.1
84.04491	3.3
84.08135	8.2
85.02902	28.6
85.06541	14.4
86.09688	4.0
87.00827	8.6
87.04469	3.2
91.05481	27.2
93.07028	34.3
95.04948	14.3
95.08593	45.1
95.09188	2.9
97.02882	8.7
97.06525	11.7
97.10165	11.5
99.04441	6.2
99.08086	9.2
101.05997	3.7
105.01848	3.0
105.03381	2.8
105.07021	26.0
107.04939	5.2
107.08588	41.0
109.02872	9.5
109.06511	9.7
109.10140	72.1
111.08075	7.0
113.05974	4.3
113.09632	4.3
117.07014	5.5
119.08556	23.0
120.08096	5.2
120.08873	3.5
121.06490	8.9
121.10140	25.8
123.08057	13.2
123.11694	31.1
125.05967	3.9
125.09614	16.1
127.03913	15.1
127.11163	19.1
129.07001	8.7
131.08563	8.9
133.06491	6.3
133.10103	16.8
135.08061	11.4
135.11673	20.2
137.06001	8.1
137.09608	16.9
137.13271	4.2
139.07578	3.2
139.11160	4.1
143.08498	6.3
145.04918	4.5
145.06506	4.3
145.10135	9.8
146.06068	2.8
147.08047	2.8
147.11658	11.2
149.09622	11.6
149.13289	13.0
151.07532	41.2
151.11192	9.0
152.07867	6.0
153.05511	2.9
153.12720	5.5
153.37094	2.4
155.08543	3.7
155.10703	3.4
157.10121	4.7
159.08061	4.9
159.11697	8.5
161.09636	9.2
161.13245	3.7
163.07526	4.4
163.11143	2.7
165.09106	79.1
166.09445	24.5
167.07013	8.2
167.09682	9.2
167.14270	17.9
169.12212	34.0
173.09608	3.4
175.14792	7.6
176.92598	2.6
177.09079	5.6
177.12762	4.1
180.37273	2.9
181.04823	2.8
185.13249	3.3
185.15343	12.4
187.07544	6.8
191.10645	21.1
192.38321	3.0
193.15865	13.9
197.13235	5.1
203.10587	3.4
205.08569	2.9
205.12204	5.9
207.10223	3.2
211.11115	4.1
211.16905	82.4
229.17970	100.0
230.18344	3.4
249.42424	2.5
279.23151	4.7
297.11328	2.6
297.18427	3.9
301.15256	6.9
367.22717	6.1
385.23749	8.2
441.34229	2.7
459.27658	4.8
477.18365	4.4
477.28717	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	476.2768
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	4.9
62.06077	1.3
67.05497	13.8
69.07038	4.4
70.06945	1.8
70.07361	2.6
79.05489	5.1
81.07044	8.5
83.08612	0.9
85.05274	2.0
88.30652	0.7
89.79085	0.7
91.05464	1.5
93.07056	4.5
95.08608	6.5
98.06043	11.4
98.98456	3.0
107.08558	2.2
108.50089	0.8
109.10166	2.3
112.07594	1.7
121.10088	1.5
123.11694	1.1
124.07581	1.0
134.19035	0.7
140.10603	1.0
160.44548	0.8
173.82915	0.8
180.13931	0.8
208.16957	0.9
221.13272	0.8
271.85986	0.8
287.78177	0.7
304.26324	100.0
305.26657	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	476.2769
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86655	0.6
53.03933	1.3
55.01861	0.6
55.05244	0.6
55.05505	9.3
57.03198	0.7
57.03432	7.4
57.07048	1.1
65.03919	1.3
67.05497	36.4
69.07054	9.1
70.26437	2.8
71.04990	0.9
74.31609	0.5
79.05482	17.5
81.07047	31.1
83.04954	1.6
83.08603	2.8
85.05262	0.6
91.05465	9.2
93.07033	18.1
95.04937	2.3
95.08004	1.3
95.08595	24.2
97.06525	1.2
97.10126	1.3
98.06049	4.5
98.98471	1.3
99.08069	1.0
105.07005	4.6
107.08578	7.5
108.09556	0.6
109.10149	9.4
117.06989	1.7
119.08582	3.9
121.10133	6.8
123.08035	1.0
123.11674	1.8
127.30461	0.6
131.08539	2.6
133.10133	3.4
135.11656	3.3
137.13277	0.5
145.10117	1.6
147.11647	1.0
149.13206	1.6
159.11697	1.4
161.13229	0.9
163.14703	0.9
173.13242	1.0
203.72456	0.6
216.06410	1.0
261.22018	0.8
304.26321	32.8
305.26624	1.5
315.41055	0.6
335.25760	100.0
336.26065	4.0
477.28397	1.0
502.66699	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2488
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.8
55.01863	2.5
55.05499	7.4
57.03437	0.9
57.07072	1.3
59.05003	0.8
61.02908	1.3
67.05508	7.3
68.99776	1.3
69.03413	4.7
69.07062	12.4
70.06565	1.1
70.10364	3.6
70.10773	1.2
71.04972	1.0
73.02903	2.6
79.05477	7.6
81.03406	5.1
81.07047	13.9
83.08609	6.6
84.08135	1.0
85.02894	10.2
87.00823	4.3
91.05463	5.9
93.07034	13.8
94.07364	1.3
95.04968	1.6
95.08600	21.7
96.08916	0.8
97.02882	5.9
97.10161	1.8
98.20717	1.3
99.04464	1.6
105.01852	3.2
105.07016	11.4
107.08582	21.9
109.02859	3.7
109.06448	0.9
109.10149	10.2
111.08028	1.4
119.08582	7.9
121.10130	22.3
121.10979	1.5
123.11680	1.6
125.09599	1.0
127.03896	6.5
131.08514	1.3
133.10101	4.3
135.11685	7.7
137.09598	1.8
138.09918	0.8
145.04945	3.4
147.11659	1.1
149.13229	4.3
151.07500	1.9
157.10144	1.1
159.02872	2.1
165.09117	15.2
166.09430	5.2
175.11124	0.7
175.14807	27.8
176.15181	1.0
176.84935	0.7
177.16367	100.0
178.16736	1.6
193.15848	2.2
231.04967	1.1
237.65822	0.8
241.76894	0.8
315.05115	1.7
336.84186	0.8
341.85663	0.9
371.06067	0.8
445.28104	0.9
476.17868	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	10.2
61.02910	16.0
69.03404	26.7
70.06578	34.1
71.73613	10.6
71.74036	10.9
72.08155	21.6
73.02889	15.0
81.03389	20.7
84.04490	23.6
84.08115	17.6
85.02889	97.1
86.09690	25.7
89.06001	18.3
91.03941	9.2
91.05467	100.0
92.05820	12.6
92.98076	8.9
93.07045	10.7
97.02882	33.1
105.07007	19.8
107.04969	20.5
109.02855	13.0
110.07124	12.2
116.07069	13.0
117.07023	20.9
119.04936	18.8
121.02842	14.8
122.03146	10.6
123.04447	10.1
127.03889	19.7
131.38910	9.6
132.08118	9.5
133.06526	42.8
134.09628	20.7
145.04930	41.5
147.04379	76.6
150.09116	15.2
151.03795	10.3
152.10690	11.6
159.84692	10.1
161.05968	10.5
163.03914	11.6
163.05989	12.2
165.05423	15.8
189.01892	9.4
190.02249	9.3
193.08504	14.2
206.10233	22.4
207.03004	13.1
239.14951	15.5
294.05289	17.3
295.05594	24.8
295.65225	9.3
296.06348	14.7
297.19040	12.6
308.06409	45.3
309.07095	19.5
314.12344	20.8
314.15857	10.1
326.07248	22.5
327.04813	17.1
337.07205	14.8
338.07358	86.5
355.07983	10.0
356.08353	59.7
376.08591	8.2
380.08414	24.7
392.08295	24.9
422.09448	20.6
440.10596	17.3
458.11606	43.9
476.12399	11.8
477.08469	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	476.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55579	7.4
55.01857	7.6
57.03408	8.1
60.04506	16.2
61.02927	9.4
68.05006	32.0
69.03401	19.4
69.59456	60.0
70.06580	40.8
72.08132	36.3
73.02905	8.2
75.49439	6.8
81.03394	18.5
81.07059	7.7
84.04481	14.1
84.08118	20.5
85.02895	100.0
86.06039	11.3
86.09682	44.9
87.05575	7.8
89.06016	19.2
91.03930	9.0
91.05458	94.3
97.02879	35.1
98.20733	13.2
103.05444	13.9
105.07026	21.3
105.26573	6.3
106.06506	6.4
107.04948	9.0
109.02863	17.6
110.05949	7.8
110.07165	11.2
112.11258	8.3
114.05529	16.4
117.07000	15.5
119.04899	9.8
119.08670	7.7
120.08157	9.9
121.02835	17.3
123.04423	12.9
127.03899	32.6
129.10185	13.3
132.08051	13.5
133.06454	18.3
133.08577	12.8
133.47800	7.2
134.05928	13.3
134.09602	25.0
135.07945	8.3
136.07501	7.8
137.02350	11.6
137.09602	31.1
138.09099	10.0
145.04987	43.8
146.02069	8.1
147.04347	30.5
150.09157	13.3
161.05899	12.6
163.05975	16.1
165.05516	9.4
167.07054	8.7
193.08630	10.5
206.08441	7.4
206.10162	34.6
239.14873	16.5
243.06465	10.1
295.05658	16.3
308.06332	13.9
314.12274	12.1
315.13281	7.8
326.07388	14.8
337.06909	17.8
338.07162	43.2
356.08334	28.8
368.08090	7.5
380.08298	10.9
391.19415	7.6
392.08594	8.8
422.09073	11.0
440.10522	13.7
458.11908	18.9
476.21854	35.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.1759
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	14.9
57.03429	2.5
60.83146	1.9
61.02928	5.6
63.06699	2.0
63.07916	2.0
67.16056	2.0
69.03421	9.6
69.56193	18.0
70.06570	4.7
81.03405	4.0
85.02888	30.9
91.05461	3.8
95.01318	36.8
95.04967	5.3
96.32499	2.0
97.02297	1.6
97.02862	10.5
99.04406	1.9
103.05450	2.9
105.07017	4.8
107.04916	2.1
109.02831	2.5
110.78297	2.0
115.05444	2.1
116.07104	2.8
117.01825	5.4
117.07013	7.4
119.04919	7.8
121.02845	4.7
121.06522	3.3
123.04409	51.1
123.05257	3.1
127.03904	4.9
128.06190	2.6
131.04913	19.1
131.08482	2.4
133.06477	52.0
141.06947	3.7
145.06467	64.8
145.07578	3.4
147.04379	62.1
147.07996	3.5
148.04791	2.8
149.05971	8.0
155.06015	3.4
157.06445	20.6
159.04427	9.6
159.08006	9.2
161.05972	42.4
163.03903	3.7
165.05450	21.9
169.06456	12.6
171.04375	13.2
171.08038	8.0
173.05954	100.0
174.06311	3.5
175.03876	9.8
175.07509	9.6
177.05496	6.1
181.06516	4.4
185.05934	19.0
187.07520	14.6
189.05431	21.4
191.07047	12.3
197.05939	44.8
199.07533	20.5
201.05431	29.7
205.04947	2.0
207.06554	3.6
215.04944	3.5
215.07010	68.0
217.04997	3.0
217.08591	3.1
219.06494	84.8
225.05400	3.2
231.06514	11.0
233.08051	35.4
237.07547	7.6
243.06497	61.7
261.07544	84.8
279.08600	60.8
280.09134	2.4
297.09540	2.4
338.07443	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	476.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.7
55.01862	4.0
55.27147	0.5
57.03428	1.7
60.04527	0.4
61.02915	1.5
68.99789	1.1
69.03424	7.3
70.06590	3.0
71.04980	1.5
71.39557	0.9
71.50231	0.4
72.04509	0.5
72.08149	1.0
73.02903	1.9
79.05492	3.9
80.05031	0.5
81.03413	7.4
83.39024	0.4
84.04488	1.0
84.08127	1.7
85.02898	18.9
86.03215	0.6
86.09705	2.0
87.00818	6.2
90.04703	0.5
91.05476	2.6
95.04947	0.8
97.02879	7.5
97.03463	0.7
99.04460	3.2
101.02305	0.4
102.05534	0.7
103.05451	4.9
105.01871	4.6
105.07019	44.4
106.07343	0.6
108.04472	3.6
109.02863	6.3
110.07143	0.8
112.22408	0.5
115.05437	9.8
117.01837	0.8
118.04137	3.8
119.05015	0.5
120.08078	1.0
126.05496	2.0
127.03903	11.7
128.04301	0.6
129.10210	0.8
131.04915	1.6
132.05690	0.5
133.06477	49.3
134.06827	0.9
136.07538	0.5
137.06003	0.5
143.04907	1.3
143.06035	3.2
145.04944	4.7
146.05264	0.6
148.78984	0.5
149.05887	0.4
159.02887	4.7
161.05963	100.0
162.06305	1.7
163.05904	0.5
167.07030	0.7
190.40636	0.5
193.08586	87.9
194.08899	1.2
211.09639	0.5
213.03787	0.6
230.06458	0.9
231.04945	1.9
248.07681	2.4
312.51166	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.1219
Annotation	Unknow
Peak:m/z	Relative Intensity
54.47025	0.4
55.01860	0.4
56.05030	0.5
60.04506	0.5
61.02920	0.5
62.41718	0.4
64.98132	0.4
67.81995	0.4
69.03417	1.9
69.07045	0.4
70.06585	3.6
71.13972	1.0
71.14339	0.5
72.08151	3.0
73.02899	0.6
79.05468	0.7
79.28249	0.4
81.03399	1.1
84.04504	2.1
84.08121	1.4
85.02897	6.0
86.09700	2.4
87.10040	0.6
88.03984	3.7
97.02866	2.4
99.04443	0.8
99.29417	0.4
101.07153	0.4
105.07018	1.6
109.01099	0.6
109.02856	0.9
110.07130	0.5
115.11379	0.5
120.04435	0.5
121.01082	12.5
121.01972	0.7
122.06019	1.5
127.03935	1.1
129.10210	1.9
130.04958	0.8
133.06474	1.9
137.00539	0.9
145.04936	0.7
147.04337	0.6
147.07639	0.6
149.00552	25.7
152.07004	0.6
154.05005	0.7
161.05952	3.7
161.90564	0.5
165.00056	6.3
166.00795	1.3
179.07068	0.5
181.03178	1.2
192.99548	6.6
193.03192	0.7
193.08575	3.2
193.98621	0.9
194.00322	11.6
207.01141	0.8
207.04825	1.0
209.02658	100.0
210.03015	1.3
215.13852	0.5
225.02122	1.2
253.05231	1.5
254.04788	1.2
270.07889	0.7
296.05896	2.5
297.04245	4.2
310.84882	0.5
314.06866	5.5
378.27267	0.5
392.08069	0.9
422.08655	0.6
450.30338	0.5
476.26816	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.1609
Annotation	Unknow
Peak:m/z	Relative Intensity
64.09640	1.2
69.03405	4.0
71.63158	0.9
71.74371	1.8
72.08144	1.3
74.02431	49.6
85.02898	7.9
88.03982	49.8
97.02870	3.1
99.04424	1.2
102.05539	1.1
109.02885	1.2
116.03438	22.3
127.03897	7.8
133.06071	1.9
134.04471	100.0
136.76100	1.5
145.04936	4.7
147.04404	1.3
153.84004	1.1
193.71356	1.2
213.00114	1.3
227.98245	1.1
302.92111	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.3417
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.4
55.01864	0.5
55.05497	1.7
57.03427	0.3
57.07058	0.5
60.47342	0.2
61.02917	0.3
65.03910	0.4
67.05499	4.8
68.25149	0.2
69.03416	0.8
69.07063	1.6
70.06573	0.5
71.04983	0.4
71.44962	0.5
72.08147	0.4
76.16386	0.2
79.05489	1.3
81.03415	0.3
81.07050	6.9
83.04974	1.3
83.08604	0.9
83.83993	0.2
85.02883	0.6
85.06486	0.4
91.05462	1.3
93.07046	1.3
95.04935	0.6
95.08598	5.9
97.06503	0.4
97.10146	0.5
99.04438	0.5
101.05959	0.3
103.05424	0.3
105.07040	0.7
107.04932	0.7
107.08572	1.9
109.02885	0.3
109.06502	0.4
109.10149	6.7
111.04443	0.4
111.08120	0.4
113.09599	0.5
114.31169	0.3
117.07005	0.4
119.08565	3.9
121.10159	1.4
122.07298	2.0
123.08050	0.6
123.11694	1.1
129.06995	0.3
131.08543	0.3
133.10101	0.9
135.04449	0.3
135.08054	0.5
135.11687	0.9
137.02313	0.5
137.05983	0.5
137.09599	11.7
137.10661	0.6
137.13226	0.6
143.08566	0.3
147.11676	0.5
149.09589	2.0
149.13264	0.7
151.07503	1.0
151.11244	0.4
151.14792	0.8
153.09027	0.3
157.10199	0.3
159.11676	0.7
161.02310	0.3
161.06012	0.3
163.14775	0.4
165.09100	100.0
166.09438	1.0
167.07050	0.4
173.13199	0.3
175.07481	0.5
175.14806	0.8
177.09059	1.5
177.12711	0.3
179.03375	1.3
179.10652	0.7
189.09097	0.4
190.09801	0.5
191.10500	0.5
203.10701	0.6
203.14195	0.2
205.12209	6.8
259.24240	0.3
279.06528	1.6
295.06073	0.4
299.13809	0.3
300.11191	0.4
301.88040	0.2
305.07837	0.4
307.05963	0.3
309.07620	1.1
313.07037	10.8
314.07336	0.8
319.09756	0.3
323.25772	1.0
324.21866	0.3
325.06967	0.8
329.06464	0.6
337.06989	0.8
345.07431	0.3
355.08353	0.4
375.08609	0.4
377.13312	0.3
379.08051	0.9
409.09033	0.7
429.33603	0.9
439.10190	0.8
457.11230	0.4
475.27423	0.4
475.34183	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.3413
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.4
55.05486	1.5
56.96541	0.4
57.07063	0.6
62.06513	0.3
65.18365	0.4
67.05180	0.4
67.05498	4.7
69.03426	0.3
69.07043	1.6
70.06569	1.2
70.25228	1.3
70.25645	0.7
72.08120	1.1
79.05476	1.1
81.07053	5.1
81.20531	0.3
83.04954	0.5
83.08599	0.8
84.04516	0.4
84.08121	0.7
86.09689	0.5
91.05441	1.7
93.07021	1.2
95.04932	0.5
95.08595	4.9
98.21355	0.5
105.07034	0.6
107.04957	0.9
107.08538	0.9
109.06545	0.5
109.10146	5.4
111.31445	0.4
113.09649	0.5
114.09139	0.6
118.20476	0.3
119.08556	2.8
120.08029	0.5
121.10120	1.4
122.07250	1.8
123.11691	1.1
126.40918	0.3
127.11141	0.5
129.09128	0.3
133.06436	0.4
135.06708	0.4
135.07991	0.5
135.11580	0.4
136.07491	0.7
137.05940	1.4
137.06996	0.3
137.09584	10.4
149.09604	2.3
149.13245	1.0
150.05481	2.9
151.07562	0.7
151.14766	0.7
163.07478	0.5
163.14816	0.4
165.09094	100.0
166.09413	1.1
177.09106	1.2
179.10591	0.6
187.11249	0.8
187.20187	0.4
191.10558	0.5
203.10657	1.2
205.12204	6.8
207.17308	0.4
220.05980	1.4
244.07684	0.3
323.25806	1.0
325.50900	0.4
331.39645	0.4
345.52542	0.5
409.65845	0.5
411.32565	0.4
417.65335	0.9
418.15479	0.6
426.16653	1.6
426.66971	1.3
429.33627	1.3
440.16586	2.6
440.66895	1.7
454.16339	0.8
454.66779	0.8
475.17313	1.0
475.34036	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.3252
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11211	1.1
53.17001	1.1
57.07073	1.1
59.72739	1.0
69.69310	2.5
69.69719	6.0
91.56191	0.9
102.75574	1.2
199.37622	1.0
251.04791	2.1
335.02481	1.1
363.17651	2.0
475.32544	100.0
476.32916	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	475.3262
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33036	1.3
53.03939	5.7
55.01859	3.4
55.05507	8.2
57.03434	26.2
57.06800	2.3
57.07071	48.2
61.02922	56.8
67.05499	17.8
69.03422	29.8
69.07072	10.5
69.52383	10.6
71.01334	3.6
71.04983	4.5
71.08252	2.9
71.08626	40.6
73.02907	22.3
75.04468	1.6
79.05485	1.1
81.03407	17.5
81.07053	22.3
83.04948	2.6
83.08617	15.6
83.16689	1.3
85.02896	54.4
85.06522	1.5
85.10177	23.0
85.41814	1.3
87.04456	4.7
87.81633	1.2
89.06022	2.2
90.01525	1.3
91.03947	40.8
93.07060	2.1
95.05006	1.4
95.08603	32.6
97.02884	48.4
97.10155	9.4
99.04450	8.8
101.02373	11.3
103.03925	7.2
105.05515	1.3
109.02863	10.8
109.10140	13.7
111.11719	2.4
115.03915	5.0
117.05456	3.1
123.11686	8.3
125.13271	2.5
127.03910	24.9
129.05467	3.7
137.13275	3.0
141.05634	1.5
145.04939	7.7
159.06445	3.0
183.06520	4.8
201.07611	4.8
219.08852	1.6
221.22717	1.8
239.23669	29.3
257.24762	5.3
313.27338	100.0
314.27548	1.9
341.26816	3.7
383.27466	1.6
418.61288	1.5
457.31592	5.9
462.75595	1.5
475.32581	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	475.2812
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03917	1.3
55.05239	0.8
55.05504	23.1
57.03428	50.0
57.07072	8.1
65.03922	1.2
67.05492	23.2
68.00888	0.7
69.07058	27.4
69.53751	6.7
69.54162	1.6
71.04990	1.6
71.08617	3.3
72.04527	0.9
79.05478	11.4
81.07041	26.9
83.04931	0.7
83.08604	19.0
85.06554	1.0
85.10172	1.8
91.05476	2.6
93.07029	13.4
95.04928	0.8
95.08594	23.7
97.06538	2.8
97.10151	11.8
98.98451	91.3
103.76522	0.7
105.06982	1.4
107.08571	8.1
109.10146	10.4
111.08073	1.8
111.11737	2.9
111.96859	1.0
112.75596	0.7
114.87092	0.7
116.99506	3.5
119.08556	0.9
121.10127	12.6
123.11678	3.2
124.99978	1.0
125.09544	0.9
135.11690	8.0
136.06184	1.0
136.99965	72.3
139.11171	1.1
140.01062	1.9
149.13255	3.3
155.01015	100.0
165.09103	3.9
165.16353	1.0
178.02634	2.6
181.02510	1.1
193.02579	18.5
196.03708	1.0
206.60596	0.8
211.03642	22.3
211.05565	1.5
224.39835	0.7
227.44191	0.8
247.24251	3.5
265.25192	5.7
321.27762	1.9
339.28888	62.0
340.29257	2.7
475.27377	67.5
475.33063	12.3
476.28357	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	475.2173
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	5.2
53.69428	1.0
55.01858	4.6
55.05500	4.0
56.05019	1.8
57.03421	3.4
59.04978	1.5
61.02908	4.2
65.03940	1.4
67.05503	8.6
68.99793	2.8
69.03423	28.2
69.07061	5.4
70.06577	5.8
70.68456	3.0
70.68786	1.4
71.04984	31.4
71.06909	1.3
72.08145	7.7
73.02905	4.2
79.05459	7.5
81.03410	15.3
81.07043	8.4
82.06564	1.5
83.04978	2.6
83.08600	6.0
84.08122	3.1
85.02898	27.8
85.06521	10.3
86.09695	28.0
87.00818	8.4
87.04437	1.5
89.06010	2.5
91.05484	6.1
93.07030	7.1
94.06559	1.6
95.04949	5.2
95.08601	8.2
97.02894	11.0
97.06519	3.4
97.10196	1.2
99.04444	100.0
99.08083	1.3
100.04775	1.9
101.05987	1.7
103.05466	1.4
105.01878	5.9
105.07033	7.9
107.04961	2.1
107.08589	18.6
109.02866	13.3
109.06508	5.4
109.10160	10.8
111.04385	1.5
111.08051	1.6
113.09628	3.9
115.04002	1.2
117.05494	2.0
117.06974	2.3
119.08554	5.9
120.08118	1.3
121.02837	2.0
121.06464	1.5
121.10126	13.2
123.08054	14.9
123.11697	11.3
125.05972	1.7
125.09628	5.7
127.03909	18.7
129.01816	1.7
129.10196	1.7
131.04980	1.5
131.08562	4.2
133.06392	1.4
133.08578	1.4
133.10107	15.1
135.04399	3.9
135.08029	4.2
135.11681	3.0
137.02335	14.9
137.05969	2.4
137.09628	1.8
138.05443	1.4
139.00775	1.6
139.11179	4.8
145.04935	5.5
145.10120	3.9
147.11671	5.1
149.09605	4.0
149.13243	8.4
151.11220	7.2
151.12312	1.1
153.09073	1.9
159.02878	4.8
161.02332	3.7
163.03903	2.6
163.11180	1.4
165.09070	2.4
165.12746	4.6
166.08676	1.2
167.10663	4.3
169.12207	7.4
173.02307	1.5
173.13208	6.7
175.07462	1.2
175.11417	1.1
176.01065	2.0
177.08986	1.3
179.03329	2.5
181.04910	1.9
183.13780	37.6
185.16495	3.9
189.01807	3.9
190.02592	1.9
191.03348	8.1
191.14307	7.6
195.02727	1.3
207.02928	4.7
209.15367	23.0
211.66440	1.3
212.09175	1.3
213.16005	5.1
219.02869	5.2
225.10245	2.3
227.16388	85.0
228.16605	1.5
231.04951	3.3
251.16440	2.0
263.14224	4.4
269.07974	1.2
283.05826	1.4
294.05249	1.8
295.05978	3.0
296.06909	1.5
297.07584	6.2
299.13824	2.8
300.14691	3.4
307.05997	3.4
309.03726	1.3
310.04651	25.0
311.05347	4.7
313.07056	8.6
314.07706	1.7
323.05450	23.4
324.06375	6.0
324.21295	1.4
325.06967	11.7
329.06470	2.1
335.05533	6.6
336.05975	2.2
337.07150	6.0
341.06616	7.5
349.07181	3.3
351.08771	1.5
353.06512	52.3
354.06985	4.3
367.08194	2.9
371.07623	31.8
372.08017	1.8
377.06213	2.8
379.08005	3.2
381.06039	2.6
383.07535	3.6
393.09442	1.5
395.07645	12.6
403.08304	2.4
407.07202	1.8
421.09189	19.8
422.09488	1.7
439.10278	15.8
457.11328	21.8
475.09512	9.9
475.16656	11.4
475.22040	1.5
475.32544	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	475.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.7
55.01857	2.8
57.03444	5.4
59.05001	0.8
61.02917	9.2
68.14857	0.6
69.03422	16.1
69.68159	5.6
70.06573	1.1
71.04980	2.0
73.02898	4.1
79.05466	0.8
81.03403	6.9
83.01353	0.7
85.02894	100.0
87.04462	2.3
89.66201	0.6
91.03941	8.1
91.38522	0.8
95.04964	1.0
95.78548	0.6
95.90633	0.7
97.02880	24.6
98.20732	1.4
99.04434	3.5
103.03914	1.6
103.19724	0.7
107.04926	3.1
109.02866	8.5
110.07159	0.9
115.03970	0.8
115.47116	0.7
116.04932	1.0
121.02901	2.0
127.03901	27.0
137.02367	1.6
145.04939	54.9
158.05975	1.0
162.07465	0.9
163.06000	17.8
180.08656	1.5
189.01875	1.1
191.03423	1.4
193.72517	0.8
202.08832	0.9
207.02895	1.2
219.02802	0.8
260.08832	0.9
261.04141	0.9
281.07968	1.2
294.05212	2.7
295.05737	1.6
296.11365	2.1
297.07382	0.8
307.05896	1.6
308.06741	1.0
309.07413	0.8
311.05124	1.2
312.05695	0.8
313.06369	1.4
324.06049	1.2
325.06659	3.7
325.11005	1.5
325.53357	0.8
326.06754	1.4
337.06998	7.8
341.06421	2.3
342.06778	2.7
343.07101	7.5
351.08340	0.9
353.06287	1.5
354.06604	0.8
355.07675	5.7
359.02286	0.8
367.07962	1.3
368.08270	0.9
369.08594	1.9
379.08038	2.4
383.10278	1.2
391.07965	0.9
395.07623	0.8
397.08154	5.9
409.08380	1.8
421.08536	2.4
427.09491	1.6
439.09601	3.1
457.10614	4.9
475.11362	5.4
475.28448	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14804	1.0
53.03942	1.8
55.01863	2.6
56.05029	1.2
57.03433	4.3
60.04527	1.1
61.02922	10.6
69.03426	16.9
70.06587	4.5
71.04984	2.2
71.69621	1.7
72.08139	5.3
72.28982	0.9
73.02905	4.1
79.05492	1.2
81.03409	6.6
84.04491	4.1
84.08141	2.0
85.02901	100.0
86.09698	16.1
87.04449	2.1
87.05584	1.3
87.10019	1.0
91.03957	6.0
97.02884	22.9
99.04453	3.9
102.05512	1.6
103.03951	1.3
105.06985	1.6
107.04932	2.7
109.02880	8.4
110.07175	1.7
115.03936	1.3
119.04987	1.7
120.08105	1.9
121.02886	3.0
127.03909	25.5
129.10194	1.8
133.06462	2.8
137.05994	1.5
145.04953	53.0
155.08109	1.2
163.06015	15.1
176.00972	1.0
180.08723	2.3
187.14427	1.0
189.01839	1.5
199.07219	1.1
209.11453	1.5
219.02853	1.5
227.12558	1.0
245.07800	2.0
261.14407	1.5
269.10876	1.0
274.02731	1.1
281.08112	1.2
294.05307	6.0
295.05786	1.2
296.11240	1.7
307.05936	6.8
308.06754	3.1
309.07404	2.0
319.06290	1.2
325.07095	4.7
325.10519	1.2
337.07086	12.9
351.08542	1.3
355.08041	10.2
379.08087	4.6
389.18021	2.1
391.08105	2.1
421.09250	2.9
431.18906	4.6
439.10358	3.4
457.11258	4.2
475.12091	1.4
475.17987	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	475.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	1.3
55.01854	2.9
57.03432	5.1
61.02920	11.3
69.03423	16.4
70.06594	9.3
70.70699	1.1
70.71030	2.8
71.05013	4.8
72.08140	2.7
73.02894	4.7
81.03407	5.7
84.04501	1.1
84.08130	3.4
85.02895	100.0
86.09700	5.5
87.04449	2.2
91.03938	6.6
91.05462	2.3
97.02882	22.6
99.04469	3.7
103.03978	1.1
107.04945	3.3
109.02880	9.4
110.07136	1.3
115.03897	1.0
120.08077	1.3
121.02877	3.3
127.03905	25.9
129.05469	1.5
129.10156	1.8
135.26112	1.0
136.07492	1.2
145.04947	54.4
158.05930	1.6
163.05992	18.9
166.08614	2.0
183.35660	1.0
249.65523	1.1
294.05148	1.9
295.06058	1.3
296.11145	1.5
307.05865	2.4
309.07465	1.5
325.07004	2.5
325.10794	1.3
337.07050	4.6
355.08286	3.7
379.07892	2.0
391.07538	1.7
403.07941	1.6
421.09714	1.1
439.10562	1.7
457.10898	2.1
475.10010	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1235
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.7
55.01860	0.8
55.05508	3.1
55.56956	0.4
57.03421	0.6
57.07056	0.9
59.68899	0.4
61.02913	0.6
65.03930	4.0
67.05496	7.9
68.99792	0.7
69.03408	1.3
69.07069	3.3
69.69040	0.8
69.69444	2.8
70.06556	0.8
71.04966	1.5
72.08138	0.9
79.05491	2.2
81.03396	1.3
81.06607	0.7
81.07047	9.4
83.04970	1.7
83.08604	1.3
84.04477	0.6
84.08112	0.7
85.02894	1.3
85.06530	2.4
85.07646	0.9
86.09689	0.5
91.05469	53.9
92.05795	0.9
93.03380	1.7
93.07030	5.6
95.04954	1.4
95.08595	15.3
97.02867	1.5
97.06506	1.3
97.10147	1.3
99.04439	1.1
99.08064	0.8
101.05959	0.6
101.59947	0.4
103.05450	0.5
105.07016	4.5
107.04935	1.0
107.08572	4.1
109.02863	0.6
109.06492	1.2
109.10143	10.8
111.08082	1.1
111.11726	0.6
113.05980	1.7
113.09587	1.1
115.05437	0.4
117.07008	0.6
119.04943	0.8
119.08573	6.1
121.06490	1.0
121.10120	3.7
122.07273	1.5
123.08049	4.1
123.11670	2.0
125.05898	0.5
125.09621	0.7
127.03958	0.5
127.11253	0.5
129.01849	0.5
129.06992	0.9
131.04901	0.7
131.08504	1.0
133.06448	1.1
133.10120	1.6
135.08029	1.6
135.11656	1.6
137.05963	1.2
137.09595	12.6
137.13208	1.2
139.07545	0.9
139.11160	1.0
141.06947	0.4
141.09081	3.3
143.08545	0.6
145.10092	1.6
147.04376	0.6
147.07986	0.9
147.11676	1.7
148.05988	1.7
149.09644	2.3
149.13240	1.5
151.07523	18.2
151.14758	0.8
155.08580	0.6
157.10051	0.9
159.04424	0.6
159.08032	0.7
159.11691	1.0
160.81480	0.4
161.05974	0.6
161.09587	1.6
161.13307	0.8
163.11166	0.7
163.14719	0.7
165.09097	100.0
166.09464	1.0
167.03368	1.6
167.07050	1.1
169.08600	0.7
173.02510	0.4
173.09616	0.5
173.13171	0.7
175.03955	0.6
175.07552	0.9
175.11156	1.4
175.14767	0.6
176.08290	0.4
177.09152	3.3
179.03380	1.4
179.10660	0.9
181.08511	0.4
185.09682	0.6
187.07355	0.5
187.09602	1.7
187.11172	1.0
189.09067	0.9
189.12718	0.7
190.07921	0.5
191.03383	3.5
191.10655	5.4
197.04439	1.3
203.03413	1.8
203.10713	0.8
205.04953	0.6
205.12260	4.4
215.03375	0.9
217.04881	0.8
217.15846	0.5
221.09560	0.9
225.10811	0.4
233.04402	4.0
239.07001	1.2
243.11232	0.9
245.04501	1.2
247.07588	0.5
251.07039	1.1
257.04520	1.4
257.08014	2.8
265.08615	0.7
269.08081	1.2
271.10654	1.0
275.05338	0.8
279.10107	1.1
293.08066	8.1
299.10239	0.9
301.11807	0.6
303.19336	0.7
305.08359	0.6
307.09644	0.9
309.07495	0.4
311.09225	4.0
313.07339	0.5
317.07977	0.6
317.11285	1.6
323.09357	2.2
323.25772	1.0
335.09094	9.8
345.10577	0.8
353.10205	3.5
361.16916	0.5
377.13504	2.3
404.28070	0.6
409.09210	0.6
421.09189	0.9
429.33661	0.7
439.10214	3.5
439.32364	0.7
443.18182	1.2
448.21570	0.6
452.68173	0.4
457.11304	1.3
457.33282	0.6
475.20834	3.2
475.34686	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1229
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.2
55.01868	0.7
57.03431	1.6
61.02923	2.7
65.03928	1.3
67.01852	0.2
67.05490	1.6
68.10860	0.2
68.99782	0.5
69.03422	1.0
69.07022	0.2
69.90297	0.5
69.90728	0.6
70.06578	0.7
71.04971	0.3
72.08139	0.4
73.02908	1.3
77.03928	0.2
79.05476	0.6
81.03408	1.4
83.01339	0.3
83.06116	0.2
84.04494	0.3
84.08128	0.4
85.02894	5.4
85.07658	0.2
86.03286	0.2
86.09697	1.2
89.03935	0.3
91.05481	1.5
93.03400	1.7
94.32709	0.2
95.04948	1.5
97.02888	1.0
98.20751	0.3
99.04408	0.3
103.03935	2.8
103.05420	0.2
105.03382	1.3
105.07008	0.5
106.04124	0.2
107.01307	0.3
107.04933	1.4
109.02880	1.2
110.07151	0.5
111.04419	1.0
116.07092	0.4
117.03390	0.3
118.04183	0.3
119.04929	5.3
120.05743	0.2
121.02853	25.7
122.03206	0.3
122.22459	0.2
123.04427	0.9
127.03900	0.2
129.03349	0.3
131.04900	0.9
133.02803	0.9
133.06432	0.6
134.03665	0.2
135.04413	1.6
137.02310	0.4
139.03882	0.7
141.01797	0.3
141.06946	0.2
143.04892	0.3
145.02829	4.7
145.03853	0.2
145.04933	0.3
147.04376	1.8
148.01581	0.3
149.02316	0.8
151.03882	0.7
152.27682	0.2
153.01790	0.3
157.06537	0.2
159.04501	0.9
161.02286	1.0
161.06000	0.4
162.03075	0.4
163.03903	2.8
165.01834	0.4
167.03391	0.5
167.29912	0.2
169.04880	0.3
171.04440	0.5
173.02333	2.2
173.05931	0.4
175.00275	0.2
175.03851	0.9
176.01036	3.5
176.02405	0.2
177.01816	1.8
177.05443	0.3
179.03381	3.1
180.04004	0.4
181.04936	3.2
181.06445	0.3
183.04393	0.2
183.07909	0.2
185.05940	0.4
187.03868	1.6
189.01794	8.7
189.05435	0.8
190.02588	1.8
191.03378	12.2
193.01312	0.3
193.05032	0.5
194.02089	2.9
195.02867	1.2
197.04390	2.1
197.05995	0.3
198.04803	0.7
199.03917	0.4
201.01791	1.6
201.05519	0.6
202.02600	0.2
203.03377	1.8
203.83238	0.2
204.04138	0.4
205.04926	1.3
207.02867	9.6
207.08084	0.3
208.03639	1.4
209.04417	2.1
210.06731	0.4
211.03838	0.3
211.07487	0.2
213.01981	0.3
213.05522	0.6
215.03459	1.1
216.04190	0.2
217.04967	0.7
218.02159	0.4
219.02867	12.4
219.06488	0.6
220.03296	0.2
221.04373	0.9
223.07518	0.2
225.03877	0.5
225.05707	0.3
225.09076	0.3
227.03427	0.2
227.06950	0.4
227.12476	0.2
229.04936	1.1
231.02840	0.8
231.06377	0.3
233.04335	1.4
234.06734	0.2
235.07631	0.4
237.03751	1.1
238.06377	0.2
239.03368	0.4
239.07127	0.8
241.04895	0.4
243.02846	0.6
245.04433	0.6
247.02261	0.5
247.06021	0.7
249.03807	0.3
251.07016	0.6
252.07726	0.2
253.08636	0.5
254.05775	0.2
255.02925	0.3
255.06480	0.7
256.07269	0.3
257.04398	0.7
259.06070	0.3
261.03860	0.4
262.06146	0.3
263.07025	1.3
265.05020	0.2
265.08411	0.3
266.05688	0.6
267.06427	2.6
268.07217	2.8
269.08005	0.8
270.05231	0.6
270.08698	0.2
273.03949	0.5
279.06482	4.1
279.09390	0.3
280.07254	3.3
281.08047	10.0
282.08575	0.5
283.05954	4.3
284.06711	2.9
285.04013	0.9
285.06799	0.2
290.05460	0.2
291.06491	3.0
292.07098	0.5
293.04626	0.3
293.08087	1.6
294.05185	40.6
295.05957	12.4
295.09155	0.4
296.06714	2.7
297.04169	0.4
297.07535	7.4
298.08292	1.4
304.07306	0.6
305.08102	1.1
306.08923	0.2
307.05972	46.6
308.06723	13.9
309.07532	14.6
310.07990	0.6
313.07065	5.3
317.08231	0.4
318.08749	0.3
319.05978	11.5
319.09143	0.5
320.06662	1.8
321.04062	0.3
321.07532	5.3
322.04678	0.3
322.08224	2.6
323.05472	0.6
323.09109	0.9
325.07022	35.1
326.07272	1.2
329.08090	0.2
331.05960	0.3
332.06683	0.3
333.07529	2.4
334.08191	0.5
335.05396	0.8
335.09271	0.5
336.06155	2.7
336.09732	0.2
337.07016	100.0
338.07364	2.7
339.04782	0.4
339.08542	1.3
341.06604	0.2
345.07498	0.7
346.08578	0.2
347.05566	0.3
347.09140	1.5
348.06168	0.5
349.07016	3.1
350.07935	0.9
351.04990	0.4
351.08582	6.7
353.06384	1.0
355.08075	61.0
356.08334	1.8
357.07550	0.4
359.09598	0.3
361.07031	3.2
362.07675	0.3
363.00519	0.2
363.08575	1.1
365.06323	0.7
365.10217	2.4
367.08087	7.8
368.08475	0.3
373.07050	0.8
374.07382	0.2
375.08606	2.4
377.06534	0.5
379.08084	24.7
380.08423	0.9
385.09064	0.5
391.08078	14.6
392.08453	0.6
393.09549	1.5
397.08893	0.4
401.10071	0.5
403.08069	5.2
404.08276	0.3
409.09113	4.1
421.09137	14.8
422.09402	0.6
429.09348	0.2
431.18884	0.4
439.10199	17.0
440.10513	0.7
445.09259	0.2
457.11255	31.2
458.11609	1.3
459.29092	0.2
475.11908	6.6
475.18134	0.8
475.28259	0.7
476.12177	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.0943
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	1.2
55.02968	0.4
56.96556	0.6
57.03417	1.1
59.79760	0.3
60.04494	0.4
60.29745	0.3
63.88536	0.3
68.49239	0.3
69.03426	0.7
69.83914	1.4
69.84330	1.1
70.06570	1.1
72.08144	1.3
73.02895	1.0
81.03418	0.5
83.00874	0.4
83.01324	1.7
84.04489	1.0
84.08119	2.2
85.02894	1.2
86.09677	1.1
97.02872	1.2
98.97578	0.9
100.69463	0.3
101.02375	2.1
101.07143	0.4
107.17669	0.3
110.03511	10.8
115.03941	0.8
116.98600	0.6
119.04871	0.4
120.05640	0.3
124.05053	0.6
128.04573	2.5
129.01817	3.6
129.10236	1.9
130.04948	0.4
133.04967	1.1
134.99654	0.5
135.37152	0.4
136.01399	1.0
136.06038	0.4
146.99579	0.4
148.05051	0.7
150.06650	0.7
150.07704	0.7
152.04503	0.6
153.04057	100.0
154.02455	16.8
154.04395	0.8
165.04041	0.9
166.04810	0.4
166.06139	0.6
167.35156	0.4
172.00046	0.3
176.04474	0.4
177.00792	0.5
183.05107	4.8
191.05695	0.6
192.04019	1.0
193.03490	2.6
193.07167	3.3
195.05190	0.7
219.01689	0.4
219.05107	0.8
220.03459	0.5
235.04602	3.6
237.02715	0.8
237.06210	1.3
239.04089	20.2
246.01329	0.6
248.35638	0.4
253.05710	0.4
263.04156	2.1
279.03525	0.8
281.05136	16.5
287.68469	0.4
299.06186	29.9
300.06424	0.5
307.03119	1.2
343.05170	38.8
344.05432	0.8
415.08951	0.7
433.11023	0.5
475.09589	0.6
475.29099	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.233
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.7
55.05500	9.6
57.03429	4.3
57.07045	3.2
61.02888	3.6
67.05515	12.8
68.98949	3.0
69.03420	46.4
69.07056	7.7
70.04067	20.7
70.06570	8.6
71.04975	5.7
71.22491	5.8
72.08122	3.7
79.05477	7.3
81.03416	10.8
81.07049	27.4
83.04966	9.1
83.08589	3.2
84.04491	7.6
84.08131	6.4
85.02895	21.5
85.06551	4.1
86.09693	5.5
87.00818	7.9
87.04455	3.2
91.05482	14.0
93.07011	15.5
95.04916	3.9
95.08576	17.5
97.02882	9.1
97.06524	5.3
99.08086	6.0
105.01836	7.9
105.07014	10.0
107.08588	21.7
109.02860	8.2
109.06509	4.6
109.10136	14.3
110.10495	3.0
111.08092	4.4
119.08543	8.4
121.06503	4.8
121.09386	2.7
121.10135	18.7
123.08065	4.6
123.11695	7.4
125.09628	19.6
127.03901	12.1
127.75013	2.6
130.04985	5.9
131.04906	2.8
131.08546	8.8
133.10167	9.7
135.08035	13.0
135.11665	8.9
137.05890	3.3
137.09608	8.5
137.13223	5.0
138.06387	2.9
138.09944	3.8
140.42542	2.7
145.04927	4.2
145.10123	5.1
148.06004	6.1
149.09634	12.7
149.13193	6.4
151.07535	8.1
152.07959	3.0
153.09076	7.2
157.10114	3.4
158.10840	3.0
163.14836	3.7
165.09096	49.0
166.09450	16.7
167.07104	4.5
173.13211	18.1
176.81131	2.9
177.09029	4.9
191.14290	77.9
200.39413	2.7
209.15334	100.0
210.15634	4.1
260.82825	2.6
299.05466	8.6
300.06290	3.5
313.07159	3.6
325.03534	3.3
329.06409	19.8
333.76205	2.6
439.09973	3.3
457.05914	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	474.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36003	0.8
53.57511	0.7
68.19322	0.8
69.74846	1.8
69.75266	4.2
70.06583	2.4
72.08133	1.7
84.04465	0.8
84.08131	1.7
84.61619	0.7
85.02895	2.4
86.09698	100.0
97.02879	1.4
102.05573	0.9
110.03568	0.7
127.03912	2.3
129.10258	1.2
132.04494	0.8
132.10190	70.3
145.04944	1.5
153.04065	8.2
154.02489	0.9
239.04002	1.5
281.05194	1.2
290.67606	0.8
299.06125	2.2
343.05148	3.5
345.13150	2.3
474.28192	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.233
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.7
55.05500	9.6
57.03429	4.3
57.07045	3.2
61.02888	3.6
67.05515	12.8
68.98949	3.0
69.03420	46.4
69.07056	7.7
70.04067	20.7
70.06570	8.6
71.04975	5.7
71.22491	5.8
72.08122	3.7
79.05477	7.3
81.03416	10.8
81.07049	27.4
83.04966	9.1
83.08589	3.2
84.04491	7.6
84.08131	6.4
85.02895	21.5
85.06551	4.1
86.09693	5.5
87.00818	7.9
87.04455	3.2
91.05482	14.0
93.07011	15.5
95.04916	3.9
95.08576	17.5
97.02882	9.1
97.06524	5.3
99.08086	6.0
105.01836	7.9
105.07014	10.0
107.08588	21.7
109.02860	8.2
109.06509	4.6
109.10136	14.3
110.10495	3.0
111.08092	4.4
119.08543	8.4
121.06503	4.8
121.09386	2.7
121.10135	18.7
123.08065	4.6
123.11695	7.4
125.09628	19.6
127.03901	12.1
127.75013	2.6
130.04985	5.9
131.04906	2.8
131.08546	8.8
133.10167	9.7
135.08035	13.0
135.11665	8.9
137.05890	3.3
137.09608	8.5
137.13223	5.0
138.06387	2.9
138.09944	3.8
140.42542	2.7
145.04927	4.2
145.10123	5.1
148.06004	6.1
149.09634	12.7
149.13193	6.4
151.07535	8.1
152.07959	3.0
153.09076	7.2
157.10114	3.4
158.10840	3.0
163.14836	3.7
165.09096	49.0
166.09450	16.7
167.07104	4.5
173.13211	18.1
176.81131	2.9
177.09029	4.9
191.14290	77.9
200.39413	2.7
209.15334	100.0
210.15634	4.1
260.82825	2.6
299.05466	8.6
300.06290	3.5
313.07159	3.6
325.03534	3.3
329.06409	19.8
333.76205	2.6
439.09973	3.3
457.05914	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	474.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	1.0
56.05026	0.7
57.03440	0.4
60.04512	0.4
64.23200	0.3
66.38422	0.3
67.05495	0.5
69.03426	0.5
69.04546	0.5
69.07058	30.8
70.06575	3.4
71.75122	0.3
72.08147	9.4
72.08547	0.5
83.06073	0.4
84.04491	4.0
84.08140	2.0
85.02902	1.4
86.09699	8.1
87.05545	0.3
87.10038	0.3
88.03954	0.3
91.05479	0.4
92.88955	0.3
95.02425	2.1
97.02884	0.5
102.05527	3.9
110.07185	0.5
112.05075	100.0
113.05424	0.8
120.08044	0.5
124.05064	14.9
127.03960	0.3
129.06631	0.3
129.10286	2.1
130.05032	0.5
141.06534	0.4
147.07616	0.5
148.06042	0.3
157.09700	2.9
159.07681	0.7
180.11298	94.0
181.11693	1.0
187.07120	1.2
189.12370	0.9
197.12883	1.0
199.27876	0.3
214.11829	0.3
225.12390	0.8
243.13387	0.4
286.13907	3.2
300.15518	0.9
312.15466	4.9
371.22659	0.6
399.22086	0.8
415.85672	0.4
437.82150	0.4
474.26361	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.183
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	0.2
55.02989	0.3
61.02893	0.2
69.03418	0.4
70.06584	0.6
70.12597	0.4
70.13000	0.6
71.06113	0.5
72.08160	0.4
73.02888	0.2
81.03414	0.2
84.08140	0.4
85.02909	1.2
86.09705	0.2
89.11030	0.2
90.08479	0.1
97.02868	0.5
110.03519	5.0
128.04526	0.8
129.10226	0.3
135.02989	0.7
137.08211	1.9
147.04404	0.5
153.04079	2.5
162.07733	1.0
165.06444	0.4
180.08784	100.0
181.09177	1.0
224.02682	0.2
259.06039	0.2
276.14786	0.2
377.00723	0.2
449.30276	0.2
474.17456	0.2
474.26627	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.1969
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	2.8
55.01858	2.8
55.90723	1.5
61.68190	1.7
65.32910	1.6
65.66793	1.6
67.05498	1.8
67.72753	1.7
69.03413	5.7
69.93001	9.7
70.06580	5.6
81.03391	6.5
84.08122	2.7
85.02909	14.9
86.09692	3.3
87.00803	6.7
91.05473	20.3
97.02866	7.2
99.04456	3.7
101.52262	1.5
103.05451	4.5
105.01845	5.6
109.02853	5.6
115.05431	2.9
117.07007	100.0
119.04879	2.8
120.08097	2.3
122.06859	1.8
127.03909	9.6
128.62379	1.5
129.06943	2.2
131.04897	5.2
131.08522	12.0
137.05969	24.0
138.06285	3.8
145.04892	3.3
151.07533	12.5
159.02943	1.9
159.08057	28.1
161.06000	2.1
163.07550	8.8
167.06903	1.7
175.07521	3.8
176.07954	2.6
177.09059	4.3
187.07513	3.7
191.10655	43.9
209.11690	28.1
312.12958	2.2
339.12198	2.2
351.15857	2.7
447.21426	3.1
474.24890	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	474.1728
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41616	0.4
51.36349	0.4
54.85909	0.4
59.70549	0.4
64.69882	0.4
69.07051	0.4
70.06567	1.3
70.48217	1.8
71.61666	0.4
72.08141	0.6
84.08127	0.8
86.09687	1.8
94.80344	0.4
96.04475	0.6
104.04959	1.1
105.03332	0.5
111.05538	2.4
112.08656	0.5
120.04457	2.3
123.05564	0.7
125.05856	0.7
126.06645	2.2
132.04434	21.7
132.05455	1.0
134.05984	4.8
137.04688	1.7
145.00839	0.4
146.02292	0.4
151.06140	8.3
157.52385	0.4
158.05936	0.5
186.37726	0.4
194.06720	5.3
195.07487	1.0
199.18021	0.5
202.09796	2.1
216.11325	0.7
230.09219	1.7
235.96109	0.5
241.71777	0.4
242.09222	4.7
255.08806	0.6
257.10300	4.4
258.08661	0.8
259.11853	11.6
284.11343	3.1
302.12445	17.5
303.13092	0.5
327.11969	3.8
345.13019	100.0
346.13220	2.7
383.90170	0.5
456.16159	1.1
474.17303	10.3
474.28763	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.1635
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.6
55.01863	0.8
55.05499	2.0
57.03433	2.5
61.02911	1.1
67.05486	3.7
68.05827	0.6
69.03419	2.0
69.07053	3.3
70.04066	100.0
70.06584	1.8
70.07388	0.6
71.04982	0.6
71.45329	1.2
72.08136	1.3
75.04472	0.7
79.05476	1.8
81.03399	0.9
81.07040	6.9
82.07392	1.2
83.04964	0.7
83.08600	1.0
84.04494	1.3
84.08142	1.2
85.02895	7.7
85.06512	0.6
85.80138	0.5
86.09676	1.3
90.01862	0.5
91.05444	2.5
93.07027	3.5
94.07353	0.5
95.04987	0.9
95.08577	4.3
96.08150	0.5
96.08868	0.7
97.02887	2.4
97.06516	4.7
105.07016	1.8
106.07375	0.8
107.04916	0.9
107.08582	2.7
109.06513	0.9
109.10141	3.8
110.10464	0.7
111.08064	0.5
115.07558	8.4
119.04951	0.7
119.08572	2.6
121.06529	0.6
121.10151	2.0
122.06850	0.5
122.10500	0.9
123.08099	1.1
123.11694	1.5
127.03913	1.8
130.05038	1.5
131.08585	0.6
133.10158	1.0
135.11713	1.3
137.05994	0.9
137.09637	1.5
137.13248	0.9
138.09929	0.9
145.04939	3.6
145.10162	0.9
147.11652	0.9
148.06059	1.9
149.09531	1.0
149.13298	1.2
151.07594	1.4
157.10098	0.9
159.11731	0.6
165.09090	9.9
166.09464	4.7
173.13310	0.7
177.09116	0.6
184.10870	0.7
189.12778	1.2
191.10765	0.5
191.14352	0.6
199.14993	0.6
203.14461	0.7
205.12320	1.2
217.12183	0.6
222.18468	0.6
354.17496	0.6
430.26001	1.2
438.31668	0.7
447.21814	0.9
474.10281	0.7
474.28046	1.0
485.10251	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.1599
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30814	0.4
53.03920	0.9
55.01868	1.5
57.03444	2.9
61.02917	4.6
62.18179	0.4
65.03913	0.4
67.01855	1.0
67.05489	1.4
67.65427	0.5
68.05002	0.5
69.03429	5.7
69.07034	0.5
69.85455	0.4
70.06587	9.2
70.10470	0.4
70.59820	0.5
70.99104	0.6
70.99433	1.1
71.04978	1.4
72.08138	2.1
72.08511	0.4
73.02904	1.7
74.06080	0.5
79.05466	0.5
81.03414	3.4
81.07039	1.0
83.01331	1.7
83.04986	0.4
83.06071	1.6
84.04501	1.0
84.08145	2.6
85.02896	24.0
86.09697	5.2
87.04453	1.4
91.03934	1.6
91.05481	1.2
93.03385	1.1
93.04512	0.8
95.01295	0.5
95.04942	2.1
95.06084	1.8
97.02880	8.4
99.04427	1.7
103.03941	0.6
105.03364	0.7
105.07021	0.5
107.04960	0.8
109.02879	2.9
110.07153	9.1
115.05428	0.6
116.07076	15.3
116.07893	0.8
119.04900	2.3
121.02863	10.7
121.03773	0.8
123.04418	3.7
127.03903	6.3
129.10184	0.7
131.04944	0.7
133.02805	1.1
137.02272	0.9
144.10187	0.5
145.02850	2.4
145.04930	7.9
147.04436	0.8
149.10709	1.9
151.03896	5.9
153.01732	0.6
156.07672	1.4
161.02325	1.3
161.12805	0.6
163.03870	1.4
169.04948	9.0
170.05447	0.6
173.02400	0.9
176.01030	1.5
177.01901	0.6
179.03381	14.9
181.04985	1.3
187.03882	0.7
189.01820	4.1
190.02469	0.8
191.03365	5.1
194.02074	1.6
195.02837	0.6
197.04437	100.0
198.04796	1.7
201.01723	0.5
203.03392	0.7
207.02841	4.8
207.13701	0.5
209.04468	0.8
214.05627	0.4
215.03342	0.7
216.23735	0.5
219.02872	5.5
224.49989	0.4
227.12454	0.5
229.04779	0.7
259.18045	0.9
266.05569	0.6
267.06494	1.1
268.07150	1.3
277.09045	0.5
279.06448	1.7
280.07364	1.4
281.08020	4.2
283.05939	1.8
284.06656	1.5
291.06485	1.4
293.07880	0.6
294.05197	18.6
295.05951	5.2
296.06812	1.3
297.07547	3.6
303.10779	0.5
305.07709	0.5
307.05981	23.4
308.06702	4.9
309.07529	7.1
311.05319	0.7
313.06995	2.5
319.05966	5.8
321.07504	1.9
322.08270	0.6
323.05515	0.6
324.05759	0.5
325.03278	1.0
325.07040	16.3
333.07529	1.0
336.06158	1.8
337.07059	41.4
338.07568	0.6
339.08746	1.0
342.06909	2.0
347.09119	1.3
349.07040	1.6
351.08627	3.7
351.22723	1.7
354.06766	1.3
355.08081	27.2
359.09714	11.5
361.06937	1.5
363.08627	0.7
365.06339	0.7
365.10410	1.0
367.08099	3.6
370.06223	0.6
375.08633	0.9
379.08105	11.6
385.21503	0.8
391.08096	7.6
396.07947	1.2
396.24933	0.6
403.08075	2.5
409.09021	2.3
421.09106	6.9
431.18680	1.1
439.10251	9.4
442.25543	1.3
456.09979	0.9
457.11234	15.2
474.11157	1.1
474.28363	11.2
475.11646	3.5
475.17871	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2677
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.2
55.01869	2.4
55.05505	16.8
57.03428	2.6
57.07065	4.5
57.98793	1.3
58.99578	11.0
59.04993	4.8
64.95169	1.4
65.03940	2.1
67.05502	30.0
69.03418	5.7
69.07070	18.8
70.06583	4.8
71.04994	4.0
71.75314	1.5
72.08143	2.8
76.02231	11.2
76.04004	2.2
79.05485	31.6
81.03420	3.0
81.07048	50.4
82.06591	2.1
83.04978	8.5
83.08618	10.5
84.04498	2.6
84.08143	4.0
85.02908	4.3
85.06528	3.3
86.00677	1.2
86.09702	2.0
86.99033	5.1
87.04469	3.1
88.02233	3.5
89.06019	2.4
91.05463	28.2
93.07039	49.3
95.04959	7.7
95.08601	34.4
97.01115	1.5
97.06525	5.4
97.10165	5.1
99.04436	1.9
99.08081	2.0
100.11250	5.0
105.07022	23.6
107.04970	2.8
107.08585	42.7
109.02883	2.1
109.06528	7.6
109.10151	26.2
111.04451	1.5
111.08086	3.8
111.11629	1.3
113.09581	1.5
116.01663	26.6
117.07022	8.2
119.08578	23.1
121.06506	3.7
121.10126	26.7
123.08076	6.7
123.11707	12.2
125.05975	2.8
125.09639	6.2
127.03967	1.8
127.11180	2.3
129.07005	3.9
130.04938	1.9
131.08530	10.9
133.06422	1.5
133.10118	15.3
135.08073	5.9
135.11684	23.2
137.05980	4.1
137.09601	17.0
137.13240	2.9
139.07539	4.7
139.11201	2.5
141.07095	1.4
143.08574	3.7
144.01117	13.0
145.10117	11.3
147.04404	1.8
147.08043	2.9
147.11678	12.9
149.02353	2.8
149.05984	2.1
149.09612	6.9
149.13240	15.7
151.07497	9.1
151.11165	4.3
151.14812	1.5
153.12865	2.1
155.08589	3.2
157.10112	6.0
159.08037	1.6
159.11722	8.0
159.12837	1.4
161.09612	4.5
161.13268	11.2
162.02185	46.8
163.07562	3.0
163.11191	4.1
163.14813	4.0
165.09109	66.6
165.12793	2.5
166.09534	2.0
167.07013	3.5
167.08398	1.4
168.13802	1.7
169.10109	2.2
171.11665	4.3
173.09583	1.7
173.13226	7.0
175.07613	2.6
175.11150	5.0
175.14818	4.5
177.09158	8.4
177.12729	1.9
177.16286	2.0
179.04816	10.7
179.10664	3.5
182.15387	1.8
185.13255	3.7
187.11186	2.0
187.14786	3.6
189.09116	1.9
189.12746	4.2
189.16403	2.4
191.10672	4.9
191.14346	1.8
195.13884	2.9
199.14803	3.0
201.09056	1.6
201.16327	1.4
203.10677	6.8
203.14299	3.6
205.12300	9.8
207.13739	3.2
213.12781	2.5
213.16452	3.1
221.15436	2.9
229.12108	1.9
231.13812	3.4
235.16968	2.9
241.19421	3.3
243.13982	1.5
259.20612	8.4
275.20032	5.4
277.21600	100.0
278.21994	4.1
291.17804	1.9
293.21100	3.6
305.21930	1.5
309.18677	4.2
317.20651	1.6
352.22922	2.9
409.59729	1.3
420.21964	2.5
427.32059	2.5
435.09802	1.5
438.23090	3.0
447.21774	8.0
455.25613	10.9
455.31424	4.3
456.23508	1.5
473.27048	6.7
473.32712	8.0
494.29669	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2018
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	4.6
53.40047	1.4
55.01861	3.9
55.05506	14.0
57.03423	7.7
57.07066	3.0
61.02925	8.6
67.05502	11.5
69.03429	20.0
69.07056	8.9
69.43704	18.3
70.04074	4.3
70.06587	10.9
71.04984	4.8
71.08588	2.0
72.08157	10.0
73.02911	5.6
73.06535	6.8
79.05483	6.7
81.03414	15.5
81.07053	22.2
83.04950	3.7
83.08614	2.7
84.08148	4.3
85.02897	31.1
85.06549	2.4
86.06048	1.7
86.09679	5.7
87.00824	12.6
87.04398	2.0
88.03988	2.8
91.03949	6.9
91.05467	15.4
93.07043	16.4
95.04967	5.7
95.08600	17.0
97.02876	13.6
97.06528	3.9
97.10149	5.5
98.09683	1.7
99.04440	6.8
103.05473	2.9
105.01857	6.0
105.07017	39.3
107.08598	13.3
108.03229	1.6
108.08125	2.6
109.02868	17.8
109.06507	6.9
109.10159	11.5
109.10841	2.4
110.09702	2.2
111.08052	3.4
114.10287	3.5
117.01904	1.7
117.06989	4.2
119.08578	31.8
121.02837	5.1
121.06489	5.7
121.10147	13.6
123.08066	21.6
123.11696	4.8
125.09607	2.3
127.03916	19.9
127.11201	4.1
128.04230	1.7
128.11514	1.7
129.01906	1.9
129.06841	1.9
130.05040	2.3
131.08574	5.4
133.06458	2.4
133.10115	7.8
135.08044	10.2
135.11711	3.2
137.05974	4.4
137.09610	5.1
145.04973	10.0
145.10091	5.0
147.02919	2.1
147.08031	3.5
147.11679	57.1
147.12869	2.7
148.11960	2.5
149.02330	100.0
149.09590	10.5
149.13234	3.0
151.07521	34.1
151.11188	4.4
157.10057	1.9
159.02899	8.9
159.11667	2.6
161.05954	2.7
161.09590	2.7
161.13231	4.2
163.11195	9.3
165.09106	12.9
165.12747	48.0
165.43846	1.7
173.13159	1.5
175.07549	7.6
177.12669	3.3
181.12206	4.3
183.11838	1.7
189.12735	7.6
191.10608	2.3
203.07066	12.8
205.12132	2.9
207.13776	63.2
221.08058	7.5
225.14786	12.1
231.04979	4.5
267.06494	2.7
283.13913	2.1
293.13748	18.6
309.07358	1.8
311.08978	5.9
337.21893	2.1
341.06369	2.5
343.01071	7.2
352.99741	2.6
361.02185	6.3
371.00400	2.2
413.01669	1.8
429.26758	3.0
455.28043	5.0
473.20175	16.9
473.29239	8.2
480.03174	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	473.1957
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	1.6
56.99548	1.0
59.55907	1.0
69.03424	1.4
70.06580	3.4
71.14728	1.0
72.08143	2.2
78.80973	1.0
81.07043	1.9
84.04511	1.0
84.08084	2.3
85.02903	1.4
86.09699	4.9
91.05476	11.6
93.07062	1.3
95.05009	1.3
98.20646	1.7
103.05479	4.6
103.06101	0.9
104.06258	1.9
105.07008	2.9
107.04916	2.0
115.05428	6.7
117.07009	14.5
119.08555	9.8
120.08112	1.5
121.06486	3.0
122.03657	2.2
128.06229	3.7
129.07004	4.9
129.10251	1.2
131.04919	7.1
131.08551	1.7
132.05673	6.5
133.06488	2.5
137.05968	25.4
141.06978	10.0
143.04921	1.1
145.06474	3.7
147.08029	18.6
151.03856	1.1
151.07483	5.1
153.06900	1.4
157.06441	1.4
159.08044	4.0
160.05191	6.2
161.06006	5.5
163.07507	6.6
165.07018	3.2
165.09128	2.1
169.06490	13.1
173.09712	1.2
174.06747	1.2
175.07529	100.0
176.07901	2.2
177.09074	8.8
182.07213	1.8
187.07523	4.0
189.09120	2.5
190.07703	2.1
191.08557	2.3
191.10696	2.9
193.06487	2.5
199.07561	3.0
201.09137	5.9
207.08014	1.4
209.11766	2.3
210.06729	2.2
210.54478	1.0
211.07439	1.3
218.07262	1.2
219.08040	3.6
221.05934	4.7
224.08226	1.8
225.09073	2.6
227.06941	1.2
235.07445	1.8
236.08351	1.6
237.05426	1.4
237.09171	1.3
247.07458	3.0
251.10623	3.3
252.07843	2.6
253.08591	2.3
261.09262	1.1
265.08484	4.0
267.10175	6.1
271.09631	1.1
279.10083	7.8
283.09512	1.4
285.11237	14.4
287.12830	1.8
291.10248	1.1
297.11252	4.6
298.11990	1.2
299.12726	2.2
309.11224	4.5
311.12750	17.3
317.11697	1.4
321.11349	1.4
323.12787	3.9
340.24960	1.0
349.14233	4.4
473.19769	29.1
473.26544	2.8
474.20480	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1957
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01850	1.2
55.05497	0.7
62.41495	0.6
62.52622	0.7
67.05484	0.7
69.03426	0.9
69.41275	0.7
70.04048	0.8
70.06572	2.5
70.13600	3.5
70.89857	0.6
71.15163	0.7
72.08159	1.2
79.05482	1.3
81.07031	1.9
86.09677	1.9
91.05475	12.8
93.07046	1.0
93.96402	0.7
94.04218	0.8
94.48241	0.6
95.04930	1.1
95.08582	1.6
98.21359	1.2
103.05449	3.2
104.06246	1.2
105.03393	0.8
105.07018	3.7
107.04951	3.0
107.08544	1.2
109.06486	1.0
115.05427	6.9
117.06984	6.8
119.04939	1.3
119.08564	10.2
121.06464	2.1
122.03619	2.0
128.06235	4.5
129.07001	5.3
131.04893	4.9
131.08560	0.9
132.05708	8.5
133.06456	1.4
137.05969	24.2
141.06982	10.8
143.04950	1.2
144.05731	1.2
145.06479	2.8
147.08031	17.2
149.06012	0.9
151.03891	0.9
151.07501	7.0
157.06464	1.6
158.07220	0.9
159.08014	2.4
160.05197	7.1
161.05981	6.3
163.07570	6.1
165.06984	3.6
165.09079	2.8
169.06485	11.8
173.09615	1.6
174.06767	1.1
174.12418	0.7
175.07535	100.0
176.07896	1.1
177.06929	0.8
177.09128	7.8
179.08560	1.4
181.06360	1.0
182.07237	1.0
186.06735	1.3
187.07547	7.3
189.07140	1.0
189.09119	3.8
191.08559	2.3
193.06433	3.4
195.08099	0.9
199.07500	2.7
201.09096	6.5
203.08603	1.0
205.06512	0.9
207.08095	1.6
209.05998	0.9
210.06758	2.4
219.08054	4.8
221.06006	4.5
223.07628	1.3
224.08273	1.9
225.09102	4.4
227.10730	1.0
231.08017	0.8
235.07475	2.5
236.08295	0.9
237.09129	1.0
238.06212	0.9
239.10640	0.8
247.07437	1.2
248.08176	0.9
249.09042	2.0
249.18561	0.9
251.10654	4.0
252.07823	2.0
253.08513	4.8
255.06389	0.9
255.10072	1.6
264.07794	0.8
265.08640	3.4
267.10092	4.3
277.08560	1.9
279.10193	7.0
281.08078	0.9
281.11639	1.3
283.09595	1.3
285.08432	1.0
285.11243	15.1
287.13013	1.9
291.10043	1.6
295.09711	1.6
296.10327	1.6
297.11081	3.9
299.12878	1.8
309.11203	5.3
311.12762	16.1
312.13052	1.1
312.79108	0.7
317.11792	1.3
321.11490	0.8
323.12811	3.4
335.12744	1.7
349.14307	5.2
441.16705	1.2
455.46240	0.9
473.19754	22.3
473.26633	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.3128
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.9
55.05517	4.4
56.05025	2.6
57.03429	2.6
60.04520	0.9
67.05490	2.8
68.04996	0.9
69.03412	3.2
69.07053	2.4
70.03163	4.9
70.06585	18.1
70.67713	0.8
71.04990	1.6
72.08149	40.9
73.02910	1.9
73.08477	0.9
75.04469	1.1
79.05488	1.7
81.03406	3.4
81.07051	1.6
83.04978	1.2
84.04498	18.6
84.08131	6.2
85.02905	5.4
86.06033	1.6
86.09698	100.0
87.10027	1.1
88.03980	1.1
91.05466	3.5
93.03381	1.8
93.05799	0.9
93.07037	1.5
95.04961	3.4
95.08617	0.9
96.04525	1.1
97.02885	1.8
99.04460	1.3
100.11272	4.3
101.07129	3.7
101.11552	1.3
102.05563	1.0
105.07019	5.0
107.04923	1.8
107.08593	1.8
108.08113	2.5
109.02864	2.5
110.07175	2.0
111.04413	1.5
111.72408	0.8
116.07063	1.9
117.07049	0.9
118.06508	1.1
119.07243	1.2
119.08587	2.7
120.08101	3.0
121.02882	2.1
121.06469	1.2
121.10203	0.9
123.11661	1.0
125.02959	1.8
126.03777	0.8
127.03878	2.0
127.08639	1.5
128.07051	1.4
129.05493	0.8
129.10274	4.8
130.04987	39.0
131.11807	2.2
133.06506	0.9
133.10104	3.2
134.09645	0.9
135.04430	4.0
135.08015	1.0
136.07559	5.6
137.02332	11.4
137.05913	1.3
138.09134	1.2
142.08592	0.8
143.08440	1.1
145.10046	1.3
146.06158	0.8
147.07631	53.9
147.11696	1.0
149.09624	0.9
149.10757	2.7
151.03874	0.9
151.11217	0.9
152.05284	6.9
152.07054	1.0
155.08235	1.3
161.02301	2.0
161.09587	2.7
162.05502	2.7
163.03938	1.2
163.11128	1.1
164.07076	1.0
166.08653	2.1
167.03448	1.6
170.06339	1.9
172.03984	1.8
173.02274	1.1
173.09523	1.2
175.12262	0.8
176.01053	1.1
177.01810	2.3
177.03293	1.6
177.09117	3.7
179.03429	2.4
181.04820	1.0
184.07390	1.2
185.16484	24.3
189.01794	2.8
191.03380	4.9
191.11714	0.8
194.02069	2.0
195.02844	3.1
198.05832	21.6
201.01883	1.2
201.05502	0.9
203.03397	2.5
204.06512	2.0
205.01334	1.7
205.12299	1.3
207.02818	4.5
207.13745	5.4
209.04370	1.2
209.16557	1.0
210.14859	1.6
211.15234	1.6
213.12614	1.6
213.15971	28.9
219.02951	4.9
219.14891	1.3
220.09705	1.2
223.02301	5.5
224.07498	1.6
225.14781	1.2
229.04988	1.2
231.02687	1.5
235.02545	1.0
242.14958	1.6
243.13321	4.3
245.00876	0.9
247.02409	1.4
252.06941	2.2
255.06564	1.6
260.16034	60.0
265.11719	1.1
281.22208	1.3
283.06036	3.8
284.06723	2.0
293.13159	1.0
295.05994	2.8
296.06766	1.7
297.07581	3.8
299.05606	2.2
300.06317	2.3
307.06055	1.4
309.07584	2.3
310.04694	16.5
311.05475	13.8
311.13870	3.2
312.06253	2.5
313.07019	4.8
323.05441	15.6
323.08875	1.1
324.06097	7.0
325.07025	5.7
326.04214	3.0
326.24377	6.2
328.05893	1.0
329.06516	5.9
335.05396	6.8
336.06326	1.6
337.03549	1.0
337.07129	5.5
338.07861	1.0
339.04980	3.2
341.06561	19.6
344.12723	2.9
347.12085	1.0
349.06699	1.2
351.04874	2.2
352.05591	1.7
353.06522	43.9
355.04218	1.9
355.08002	2.3
357.06021	30.9
359.22958	1.1
365.06494	6.0
367.08307	4.0
368.05096	1.3
368.20804	0.9
369.06042	13.0
371.07648	8.2
381.05960	9.9
381.09875	2.2
383.07620	3.6
391.08212	1.3
393.05994	7.1
395.07672	5.9
398.13889	1.2
399.07355	1.1
407.07669	1.7
409.09366	5.4
411.07028	19.8
413.18170	4.1
419.07489	2.1
422.17099	2.4
427.10095	1.0
429.08026	2.4
437.08810	6.2
454.19611	3.6
454.25403	2.8
455.09637	16.3
455.19778	1.0
472.09790	1.3
472.24960	5.1
472.36349	7.6
473.10684	31.8
473.16299	1.4
473.23651	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	472.2222
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60529	0.5
54.02176	0.6
55.01870	0.7
56.05035	0.5
58.20810	0.4
60.04499	0.5
61.02921	0.6
63.47845	0.5
67.87787	0.5
69.03426	1.0
69.07052	0.5
70.02932	0.6
70.06581	4.0
70.10075	2.9
72.08147	16.8
72.08550	0.8
74.00661	0.5
76.03988	2.0
79.05492	0.7
81.03427	0.6
83.06103	1.1
84.04503	7.1
84.08142	1.3
85.02903	1.6
85.04002	1.6
86.09688	1.4
91.05476	1.2
92.01698	0.6
96.08125	1.0
99.05572	1.5
107.04948	1.3
107.06083	0.7
112.03984	0.7
113.01730	0.6
113.03462	0.6
116.07071	0.6
119.04926	0.5
120.08079	1.1
121.02838	0.8
123.02345	0.5
126.03716	1.9
128.05290	0.7
129.06606	0.8
130.05009	3.6
131.04474	1.1
135.04431	0.6
136.09848	0.5
137.02328	1.6
139.03227	1.1
145.06035	1.1
148.11198	22.8
149.10728	47.8
150.11069	0.6
150.12755	1.8
152.05263	3.3
153.06540	0.7
155.08223	0.6
159.02258	1.7
160.00626	0.8
163.03911	4.1
163.12238	1.5
164.04254	2.9
164.13081	100.0
165.13892	5.5
167.15425	5.9
177.03267	5.8
180.04851	3.3
180.08394	6.4
181.06087	1.9
182.09990	1.4
185.03780	14.7
189.01817	0.6
197.11063	72.4
198.05843	0.6
198.11334	1.1
199.12663	3.1
207.03023	0.7
223.12674	4.1
231.04333	32.5
251.12308	0.8
255.07974	7.6
272.17545	0.6
288.06473	14.1
297.07446	0.6
310.04581	0.6
311.05450	2.4
313.07245	0.8
323.05560	3.1
324.06110	1.5
325.17007	0.6
337.06985	1.1
338.07959	0.7
341.06497	8.1
341.16748	0.5
343.17963	40.5
353.06516	3.8
365.05984	0.6
367.07974	2.0
381.09500	1.0
391.07913	0.6
395.07639	4.2
397.18683	1.7
407.07318	1.1
419.07663	1.3
422.25034	0.6
425.08566	1.6
425.88245	0.6
437.08676	1.4
449.11548	0.6
454.21149	7.7
455.09351	1.6
472.13226	1.0
472.22202	8.9
473.11050	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	471.3467
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	21.7
56.96529	5.5
57.07071	4.8
67.05496	24.9
69.03400	6.1
69.07075	21.4
69.48830	3.9
69.67142	4.1
69.76640	5.7
69.77048	24.6
70.76662	4.5
79.05487	23.2
81.07044	57.1
82.25488	3.8
83.08578	7.1
88.82414	3.7
90.43841	3.9
91.05474	32.8
93.07039	58.1
95.04964	6.0
95.08592	69.1
97.06512	9.7
105.07022	68.8
107.08586	73.1
109.06504	5.1
109.10139	33.1
110.91874	3.8
111.08079	9.8
115.92145	4.0
117.06999	15.5
118.24570	3.9
119.08574	75.2
121.10113	40.1
121.94865	4.2
123.11668	12.7
125.09616	11.3
128.06238	8.5
129.06989	11.0
131.08557	35.0
133.10115	70.5
135.11678	19.0
137.13237	5.8
142.07739	10.2
143.08528	40.4
145.10124	65.3
147.11685	52.8
149.13225	14.1
151.11096	4.4
154.94102	5.4
155.08536	13.4
156.09247	11.9
157.10114	35.5
159.11678	41.9
161.09636	7.0
161.13232	26.4
163.14897	4.4
169.10127	11.7
170.10873	10.5
171.11693	19.1
172.95213	16.6
173.13205	23.9
175.11134	8.3
175.14792	18.3
177.16370	12.9
179.10568	9.2
183.11667	15.3
183.35486	4.5
185.13243	100.0
187.14830	41.3
189.16431	30.5
190.96225	11.0
191.14319	7.7
191.17905	7.2
193.10115	4.5
193.12149	6.3
195.11720	4.7
197.13287	8.2
199.14807	53.2
201.16409	19.4
203.14279	7.8
203.17915	14.5
205.15735	4.8
211.14746	6.6
213.16422	11.6
215.17924	5.2
217.15904	37.0
223.14836	7.0
225.16280	7.9
227.17847	8.4
228.97716	5.7
229.15706	8.5
231.17366	10.1
235.16759	8.2
237.16313	8.5
239.17946	7.4
251.17900	4.8
253.19479	9.9
267.20932	5.9
271.20206	4.8
293.22699	24.8
309.22226	5.6
311.23676	20.0
317.17831	9.9
329.24908	10.0
335.18701	5.6
370.31030	4.3
379.26407	7.5
389.74075	4.5
395.29388	5.2
407.33157	7.6
413.97330	4.5
417.31412	7.0
423.32352	9.4
435.32700	36.8
453.17020	9.0
453.33578	13.0
471.18060	13.7
471.34485	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	471.3465
Annotation	Ganoderone C
Peak:m/z	Relative Intensity
55.05501	16.5
57.07061	5.7
57.91976	3.0
63.51089	4.6
64.04687	3.1
64.41386	3.4
65.03947	3.6
67.05496	29.5
69.07061	23.6
70.58443	4.2
70.58784	14.7
79.05482	25.5
81.07052	56.0
83.08602	13.8
86.41743	3.6
91.05463	25.9
93.07037	37.4
95.04943	7.0
95.08597	84.8
97.06522	6.8
105.07010	60.5
107.08573	67.4
109.06506	4.1
109.10154	37.6
111.08080	4.5
117.07001	8.2
117.17039	3.8
119.08562	71.6
121.10133	42.6
123.08118	5.6
123.11662	11.8
125.09617	18.5
128.06200	5.4
129.06943	12.2
131.08539	37.3
133.10110	54.3
135.11691	23.6
137.09637	6.5
137.13199	4.8
141.06958	6.5
142.07764	10.1
143.08553	35.1
145.10107	57.2
147.11673	48.4
149.13226	11.2
153.09230	4.3
155.08549	11.2
156.09312	8.2
157.10098	31.8
159.11655	37.3
161.09654	6.9
161.13254	20.7
163.14792	5.3
169.10091	16.4
170.10875	6.6
171.11694	26.5
173.13269	23.8
175.11183	8.2
175.14822	14.7
177.12708	4.1
177.16391	10.6
179.10657	5.4
183.11720	17.2
185.13252	100.0
187.14778	38.1
189.16412	22.2
191.10602	4.4
191.18027	4.0
193.12262	8.3
195.11745	7.7
197.13251	13.4
199.14812	51.4
201.16385	23.5
203.14267	7.3
203.17970	16.9
205.15866	10.1
209.13222	4.9
211.14847	12.2
213.16380	13.4
215.14397	5.4
217.15863	27.0
221.15497	6.1
223.14859	5.6
225.16377	9.1
227.17950	10.0
229.15865	11.0
231.17491	4.9
233.15373	7.2
237.16412	8.5
239.18025	9.1
241.86501	4.1
251.17998	5.4
253.19450	5.4
291.21097	4.3
293.22516	21.2
299.23795	5.1
309.21826	4.1
310.72397	3.6
311.23645	20.5
329.24924	6.9
379.26401	6.8
381.27649	3.8
389.31937	4.5
407.33069	5.8
417.31235	4.4
423.32397	7.3
425.34204	5.6
435.32516	38.4
453.33249	7.7
471.34058	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	471.259
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	15.8
55.05496	32.7
57.03436	10.7
57.07062	11.5
61.02928	17.0
63.86986	11.7
67.05492	66.8
69.03384	12.1
69.07055	28.2
70.45976	10.1
70.55350	21.1
70.55750	20.9
71.08627	12.1
79.05476	53.9
81.03400	15.3
81.07048	100.0
83.04980	12.3
83.08592	20.8
85.02885	12.5
85.10167	40.7
85.20687	10.8
86.09747	10.4
91.05464	66.0
93.07018	49.2
93.29274	9.7
95.04967	19.1
95.08590	43.3
97.02894	12.6
97.06495	13.4
105.07013	46.3
106.06583	11.6
107.04952	18.1
107.08567	43.0
109.06506	14.3
109.10142	25.6
111.08035	18.8
113.09686	22.5
117.06967	17.5
119.04985	9.9
119.08617	50.9
121.10146	36.3
123.11688	20.5
128.01776	11.9
129.06969	16.4
131.08536	23.9
133.10144	60.1
135.08101	11.4
139.03870	15.8
143.08571	16.4
145.10132	32.7
147.04402	32.6
147.11685	38.2
149.09540	17.7
151.11191	19.8
157.10112	13.8
159.11629	16.9
163.11240	12.6
163.14774	11.9
165.12755	23.9
167.75134	9.9
171.11673	10.9
175.11183	17.2
187.11179	14.9
188.01527	12.4
193.12318	15.3
211.82220	10.3
241.12425	12.4
277.14383	17.4
277.21552	22.6
287.12515	12.8
295.64749	11.0
305.21252	14.4
307.15204	10.7
308.71716	14.8
343.19128	23.5
371.21408	13.0
372.02670	12.5
381.20154	12.0
389.23517	17.0
399.21805	54.1
407.24179	16.2
417.22607	43.2
425.25500	15.1
435.23920	69.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2586
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16162	2.3
55.05499	9.2
57.07058	9.2
65.03957	2.9
67.05497	59.9
69.07056	7.7
71.08607	5.2
79.05497	33.9
80.83183	2.3
81.07047	64.7
81.36295	2.4
83.08604	4.4
87.04450	4.1
89.06023	14.8
91.05460	20.2
93.07032	44.8
95.04971	3.2
95.08593	53.4
101.66625	2.5
105.07027	12.0
107.08583	24.7
109.10145	26.5
116.67788	2.2
117.07003	5.5
119.08559	8.9
121.10134	25.3
123.11680	16.4
131.08525	19.7
133.08585	8.6
133.10126	7.6
135.11682	17.8
137.09657	2.9
137.13234	6.3
145.10086	9.6
147.11652	7.3
149.13194	13.7
151.14766	4.0
159.11726	13.8
161.13232	6.9
163.14760	7.8
173.13269	11.8
175.14810	3.7
177.11179	3.1
177.16351	5.2
187.14757	9.4
227.20016	26.9
228.20380	12.1
233.22621	3.5
243.21088	19.9
261.22113	100.0
262.22443	3.2
351.96585	2.7
447.44864	2.6
453.24832	3.7
471.25818	22.6
481.31296	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	471.2585
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	39.0
55.05493	24.4
55.16199	13.3
67.05485	64.3
69.07047	26.0
71.75313	26.5
79.05496	29.8
81.07053	92.2
83.04945	18.8
83.08578	19.0
85.10165	18.5
91.05472	34.6
93.07030	44.3
95.01306	30.0
95.08575	50.4
105.07018	36.9
107.08566	39.6
109.10149	15.2
111.08083	53.6
113.09661	30.8
114.89612	14.0
119.08575	16.8
119.32932	17.2
121.10123	25.0
131.08525	21.4
141.01816	35.6
147.11697	24.6
149.13162	17.9
165.12741	47.7
185.13155	16.9
231.20930	16.4
259.20486	17.6
277.21622	100.0
295.22751	21.8
435.23743	86.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2587
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	21.2
55.05504	29.1
55.13088	3.7
57.03431	7.1
57.07075	9.0
67.05502	32.5
69.03435	3.9
69.07048	12.1
69.86039	19.2
79.05498	29.7
81.03419	4.8
81.07050	49.5
83.04959	8.3
83.08596	15.7
85.02882	3.9
85.10191	24.7
91.05464	26.7
93.07032	33.4
93.28658	3.2
95.01326	12.6
95.04948	12.3
95.08586	25.8
97.06506	8.8
98.20673	4.5
99.08069	5.7
105.07023	22.5
107.04900	7.7
107.08591	11.4
109.06520	8.0
109.10141	11.6
111.08075	23.7
113.09626	26.3
113.64181	3.7
117.07015	5.0
119.08585	21.9
121.10130	17.2
123.08054	5.9
123.11697	6.9
125.09572	4.3
129.01790	4.2
129.06990	8.4
131.08487	6.6
133.10135	16.7
135.11699	8.0
141.01808	9.5
145.10133	4.5
147.11714	16.4
147.30934	3.3
149.09607	12.1
149.13229	4.7
157.10088	4.3
161.13219	7.8
163.11194	6.5
165.12762	39.3
169.09840	3.3
175.11192	4.1
175.14742	3.7
177.03983	3.5
179.14264	3.6
249.22105	8.6
259.20517	11.4
271.11813	7.6
277.21625	100.0
295.22626	17.0
359.40100	3.7
435.23798	34.7
453.24869	8.6
467.80716	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	471.2521
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.6
55.01870	3.8
55.05508	13.9
57.03434	2.2
57.07074	2.6
57.98796	1.5
58.99578	21.2
59.04998	1.5
60.19446	1.5
61.36333	1.2
65.03944	2.4
65.64919	1.3
67.05497	40.5
69.03411	3.0
69.07059	15.2
69.16859	1.3
70.06574	7.1
71.04979	4.6
71.75232	1.6
72.08144	5.1
76.02219	80.3
76.03989	5.2
77.35419	1.4
79.05487	25.9
81.03410	6.1
81.07044	39.4
82.97024	1.4
83.04974	5.5
83.08601	6.1
84.04511	1.8
84.08134	1.9
85.02905	5.3
85.06530	3.6
86.06057	4.5
86.09692	2.9
86.99039	8.2
87.04468	1.4
88.02190	2.1
91.05470	36.1
93.07035	25.3
94.67933	1.5
95.04958	7.9
95.08589	23.8
97.06531	4.2
97.10140	3.2
99.08118	1.8
103.05495	1.9
105.07016	41.2
107.04945	4.7
107.08582	19.1
109.02837	2.0
109.06503	7.2
109.10151	15.3
111.08065	2.9
113.04217	1.5
116.01671	32.0
117.07015	12.3
119.08572	31.9
120.08060	2.2
121.06512	6.0
121.10148	15.6
123.08058	5.0
123.11694	5.9
125.09615	2.4
125.57582	1.6
129.06987	5.1
130.06842	3.1
131.08557	16.8
133.06514	1.7
133.10118	28.1
133.11131	1.7
135.08066	3.9
135.11688	6.3
137.09596	10.2
138.92621	1.6
141.07002	2.2
143.08554	6.0
144.01120	16.1
145.06479	2.1
145.10121	12.0
147.08052	2.1
147.11670	21.1
149.09563	8.7
149.13234	1.8
151.07555	1.9
151.11180	3.3
155.08598	2.6
157.10106	5.6
159.08069	2.1
159.11650	9.3
161.09593	2.2
161.13231	6.8
162.02182	58.7
163.11134	3.4
164.38072	1.3
165.09116	11.2
165.12814	1.6
169.10120	2.7
171.11742	5.2
173.13258	7.2
175.11139	3.3
175.14848	2.2
179.04829	100.0
181.06499	1.5
183.11671	2.6
185.13242	2.7
187.11148	2.5
187.14824	1.8
189.12773	2.3
193.10175	1.6
197.09700	1.6
197.13232	4.4
199.14842	1.7
205.12160	2.7
211.14828	1.9
213.16379	2.3
219.13760	1.5
229.19469	2.3
247.20505	4.9
248.16042	1.7
255.17249	1.5
257.19000	4.8
265.21655	1.5
275.20029	83.9
276.20468	3.3
292.22699	2.4
293.21109	8.7
311.05423	1.9
339.04956	9.5
379.18835	2.6
397.20279	2.1
435.33191	1.7
453.24228	18.9
471.24448	5.3
471.30878	4.6
471.35791	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	471.2522
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	2.9
55.01863	7.0
55.05506	29.7
57.03416	4.2
57.07073	5.0
58.99577	28.9
59.04989	2.8
63.05308	2.3
65.03911	2.1
67.05497	52.5
69.03410	7.2
69.07062	35.8
69.84996	2.1
69.94204	6.0
69.94614	9.3
70.06577	9.9
71.04980	9.5
72.08128	3.8
76.02219	94.6
79.05479	35.3
81.03390	4.6
81.07042	63.5
83.04964	11.1
83.08608	16.9
84.08095	2.7
85.02872	7.9
85.06519	7.7
85.91889	2.2
86.09695	2.4
86.99034	9.5
87.04501	2.8
88.02205	3.9
89.06004	9.0
91.05475	40.1
93.07040	35.5
95.04961	15.1
95.08593	46.2
97.06499	8.9
97.10154	16.9
98.20695	3.9
99.08092	4.5
105.07016	41.2
105.07700	3.1
107.04925	4.3
107.08588	28.9
109.02916	2.9
109.06503	8.8
109.10143	35.2
110.09657	2.5
111.08051	4.0
113.04218	4.3
115.05407	2.2
116.01662	38.1
117.07015	12.4
119.08556	44.0
121.06487	7.1
121.10130	17.8
123.08045	7.8
123.11698	11.4
125.09574	13.1
127.11151	2.3
129.06995	6.3
130.04878	2.5
130.06873	3.0
131.08548	19.1
133.08598	4.5
133.10100	26.2
135.08015	5.0
135.11671	10.3
137.05945	6.0
137.09610	15.3
139.11174	3.4
141.06926	2.5
143.08527	5.8
144.01129	16.8
145.10083	16.9
147.08008	5.8
147.11674	23.9
149.09586	13.7
149.13235	6.0
151.07536	2.9
151.11148	4.1
155.08511	3.2
155.10599	2.7
157.10147	10.8
159.11674	17.8
161.09563	5.4
161.13313	10.7
162.02199	65.1
163.11165	7.9
163.14857	2.6
165.09096	42.2
165.12730	6.4
169.10030	4.7
171.11679	5.4
173.09622	4.4
173.13239	8.8
175.11188	3.8
175.14790	3.4
177.09076	2.5
177.11195	2.8
177.12691	3.1
179.04831	100.0
179.14246	4.1
183.11679	3.6
185.13245	5.4
187.11160	5.5
187.14841	4.4
189.03362	2.7
189.09225	2.7
189.11176	7.1
197.13217	5.6
200.07388	2.8
201.16232	2.8
203.10509	5.0
205.12234	6.9
205.19737	2.9
213.16330	2.9
239.17993	5.0
243.14075	2.6
257.19037	7.4
275.20041	77.2
276.20245	3.1
293.20990	18.1
347.10144	5.1
348.34860	2.4
350.21359	2.8
368.22641	3.1
394.12592	2.5
407.16306	3.5
425.16901	3.1
435.32135	2.7
453.24210	23.5
471.25211	22.8
471.30984	6.1
471.35184	3.3
472.14572	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	471.2198
Annotation	Leu Ser His Asp
Peak:m/z	Relative Intensity
51.80695	0.3
53.03932	0.5
55.01842	0.4
55.05489	1.3
57.03423	0.6
57.07062	0.6
59.04983	0.4
67.05499	3.3
69.03434	1.3
69.07061	2.3
69.98577	0.3
69.98924	1.9
70.06581	0.9
71.04971	0.9
79.05485	1.6
81.03406	0.8
81.07052	3.9
82.07399	0.3
83.04970	1.2
83.08595	0.6
84.04497	0.3
84.08148	0.6
85.02879	1.3
85.06515	0.5
86.09673	0.7
91.05465	2.0
93.07032	2.9
95.04958	0.8
95.08592	4.3
97.02900	0.5
97.06517	1.0
97.10147	0.3
98.63634	0.3
99.04411	0.4
99.08105	0.4
105.07014	2.3
107.04968	0.5
107.08585	2.8
109.02863	0.8
109.06492	1.0
109.10143	3.9
111.08069	0.7
117.06958	0.6
119.08560	2.4
120.08060	0.4
121.06477	0.6
121.10122	1.6
122.05894	0.4
123.08034	0.8
123.11678	1.4
125.09625	1.1
127.03866	0.4
129.06979	0.4
131.08571	1.0
133.10112	1.8
135.08029	0.8
135.11720	1.5
136.07547	0.5
137.05949	0.6
137.09615	1.8
137.13229	0.4
138.09108	0.4
139.11266	0.3
143.08531	0.8
145.10092	1.3
146.89038	0.3
147.04385	0.3
147.08037	0.5
147.11688	1.0
149.09607	1.1
149.13261	0.7
151.07561	0.6
151.11205	0.6
153.05475	0.3
155.08481	0.4
157.10089	0.8
159.11691	1.1
161.05867	0.3
161.09598	0.7
161.13255	0.7
163.11179	0.5
163.14819	0.5
165.09102	7.5
166.08536	0.5
169.10135	0.5
171.11687	0.6
173.09657	0.4
173.13153	0.7
175.07678	0.5
175.11140	0.5
175.14835	0.5
177.09123	0.5
177.16486	0.3
179.07060	0.3
185.04277	0.5
185.13287	0.5
187.11150	0.6
187.14790	0.5
188.03525	0.5
189.09012	0.4
189.12785	0.4
191.14320	0.4
197.09486	0.3
197.13246	0.5
199.11053	0.4
203.10732	0.8
205.12242	0.9
205.15802	0.3
206.04387	0.3
211.14734	0.3
214.08611	0.3
215.11049	0.4
223.16882	0.4
231.13850	0.3
242.07872	0.3
253.12865	0.5
260.09177	0.4
271.14011	0.4
273.18539	0.3
274.10678	0.7
309.16705	1.9
341.11359	1.2
381.90637	0.3
392.03391	0.3
428.24289	0.5
453.29651	0.5
471.21985	100.0
472.22125	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	471.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15566	2.1
54.81635	2.2
55.01858	5.7
55.05498	8.3
57.03424	2.5
67.05504	10.9
69.03426	2.9
69.07053	6.4
70.06147	2.0
70.06562	4.3
70.48943	2.0
79.05484	9.3
81.03402	5.2
81.07063	14.2
83.08616	3.6
84.08138	4.9
85.90871	2.3
90.86967	2.1
91.05482	14.1
92.05009	5.4
93.07027	10.7
94.06567	5.6
95.04973	7.6
95.08594	11.9
96.08136	10.7
97.06522	6.0
99.08106	2.4
103.86418	2.3
105.07050	6.2
107.08590	7.7
108.08125	14.8
108.08786	2.9
109.06514	10.5
109.10174	7.6
110.09663	19.2
117.07013	2.5
119.08571	8.5
120.04498	8.4
120.08109	17.3
121.06495	3.4
121.10158	7.3
122.06049	6.8
123.11685	2.6
131.08531	4.7
133.10132	7.2
135.11685	3.1
136.07579	26.0
137.05969	3.6
138.05510	7.5
138.09120	28.6
143.08559	4.2
145.10091	3.8
146.06064	2.5
148.07584	10.9
149.09610	2.9
149.13205	3.1
154.08632	19.7
159.11739	4.0
165.09055	4.0
166.03766	2.5
166.05026	10.2
166.08626	55.8
166.10036	2.9
168.08047	3.3
172.29593	2.4
183.06538	10.3
186.09131	3.3
188.03418	38.8
196.07549	9.6
206.04472	38.8
214.04852	3.0
214.08632	9.7
227.11784	3.4
231.17400	3.0
242.08113	9.5
243.05185	4.4
255.11317	6.6
258.07498	3.8
259.11185	3.7
260.09152	21.3
273.12335	6.0
274.10623	25.8
275.11310	4.2
286.10815	10.1
304.11801	5.7
318.13345	14.3
323.10318	6.4
331.12448	2.5
341.11301	100.0
395.16010	14.6
409.17548	6.8
413.17050	13.1
427.18408	12.7
453.24130	10.8
471.24747	6.8
471.32352	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	471.1495
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01382	0.6
53.03921	0.5
55.05513	0.8
56.96551	0.9
57.03415	1.2
69.03405	1.3
69.41114	5.0
69.41527	1.1
70.06573	2.4
71.04985	5.9
72.08127	0.8
79.05460	0.6
81.03388	1.6
83.04968	2.4
84.08124	0.8
85.02888	7.2
86.09700	0.9
91.05456	5.8
95.04930	0.5
97.02862	1.4
98.21464	1.1
98.97546	1.8
107.04937	5.2
109.02866	1.4
109.10113	0.7
111.04461	1.3
114.15590	0.6
116.98590	0.7
119.04910	5.0
127.03899	0.9
128.98547	0.8
129.05461	1.6
136.77835	0.5
139.18840	0.6
146.99670	0.6
147.04381	0.8
155.05798	0.5
161.01213	0.5
163.03883	100.0
164.04192	1.9
201.00743	0.7
216.21419	0.6
219.01730	1.1
235.08423	0.6
237.02751	2.5
296.85806	0.7
299.90161	0.6
309.06403	0.7
325.09164	2.8
327.07452	1.6
471.12473	17.1
472.12836	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1264
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96546	2.8
57.03440	2.2
69.57629	6.3
69.58056	3.3
70.06583	3.3
71.04995	4.2
75.61639	1.0
77.09970	1.3
78.18375	1.3
81.03452	1.3
83.04965	2.0
84.08167	2.5
85.02908	9.1
86.09708	2.1
91.05482	8.2
93.22511	1.0
97.02898	1.3
98.97591	4.9
107.04948	5.2
107.73685	1.1
110.97617	1.1
111.04446	1.7
116.98566	2.9
119.04949	5.3
128.18410	1.3
128.98573	2.8
129.05466	1.5
143.00137	1.2
147.04445	1.2
153.01804	1.4
158.99651	1.5
163.03891	100.0
164.04214	2.3
170.99792	1.4
175.21526	1.1
177.00656	2.6
207.03235	2.0
219.01810	2.4
223.13280	1.3
237.02887	4.9
306.88583	1.2
309.06500	1.9
325.09250	3.9
327.07788	6.1
339.04950	2.9
357.06143	4.9
397.09363	1.8
408.92575	1.4
423.07004	2.1
453.08313	2.8
471.12723	57.6
472.12955	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	470.1587
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	0.4
52.18224	0.3
53.03968	0.4
55.45223	0.3
56.05040	0.4
58.99583	2.8
70.06583	4.3
71.04969	0.3
71.09184	0.3
71.09506	0.5
72.08145	1.3
76.02220	20.3
76.03988	0.8
77.03920	0.4
79.18946	0.3
84.04494	5.7
84.08122	2.0
85.02910	0.7
85.94761	0.3
86.09710	3.0
86.99046	1.0
88.04834	0.3
91.05466	1.0
95.04942	0.8
103.05457	40.1
104.05796	0.4
109.02869	0.4
110.07163	0.8
116.01664	4.3
117.03345	0.5
119.04890	0.5
120.08110	0.8
121.02908	0.3
124.40166	0.3
127.03913	0.5
129.10208	1.0
130.04997	2.7
131.04915	100.0
132.05249	1.2
134.14902	0.3
136.07542	0.4
136.64072	0.3
137.05923	0.4
142.03220	2.2
144.01140	3.6
145.02786	2.0
149.05954	0.3
150.17021	0.3
151.07561	0.6
161.05922	0.6
162.02197	9.4
163.07527	27.3
164.07872	0.5
166.69366	0.3
170.02699	0.5
175.43089	0.3
177.05449	4.5
179.04837	19.4
186.05498	0.3
187.05330	0.4
187.13271	0.4
204.10197	0.7
215.04745	0.4
222.11224	4.1
231.04749	0.3
233.05907	5.0
245.05925	0.8
255.14146	0.3
290.07864	0.6
291.06296	0.5
308.09076	22.2
311.05560	0.4
426.17456	0.3
442.23245	0.3
470.17282	0.6
489.49603	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.3675
Annotation	Unknow
Peak:m/z	Relative Intensity
54.88240	10.6
54.88611	9.1
55.05506	58.8
57.07072	73.7
58.67025	9.2
67.05484	34.6
69.07062	96.1
69.49904	85.8
69.50328	23.5
71.08630	54.5
79.05457	11.3
79.78899	9.7
81.07050	66.9
83.08598	58.1
85.10164	20.7
85.62589	9.9
86.91394	9.6
88.48550	9.2
89.06035	11.0
91.05444	13.4
93.26715	10.2
95.08613	73.5
97.10154	34.3
107.08565	11.1
109.10145	36.5
111.11697	28.9
117.07003	42.8
118.96902	10.4
123.11682	17.5
125.13258	12.5
129.07021	12.9
131.04965	11.7
137.13142	9.9
143.08583	15.5
145.06454	88.6
147.04402	30.1
153.06877	12.1
155.08546	13.6
157.06470	42.5
159.04370	11.6
161.05952	24.5
165.07042	16.2
166.07780	14.7
167.08527	11.7
171.08064	44.4
173.05969	100.0
179.08534	16.9
180.09422	11.6
181.10077	28.7
183.08054	24.9
185.09648	19.6
187.07536	98.6
195.08107	11.1
195.11644	12.2
197.09610	25.8
199.07561	24.8
199.11208	10.1
209.09595	25.4
211.11192	16.6
213.09067	12.5
223.11069	12.4
225.12729	16.3
227.10580	15.4
237.12756	17.2
251.14322	20.0
314.11118	11.5
384.70578	11.1
433.34412	25.6
451.35648	49.1
469.36914	24.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.3482
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07069	100.0
59.04990	18.2
63.03115	3.5
71.01232	8.4
71.01604	7.9
71.08630	79.5
71.37609	4.1
73.06541	4.8
85.10178	71.3
87.04459	6.1
89.06025	6.9
90.01925	21.6
99.11742	10.4
113.13290	6.5
117.09164	6.1
117.94207	3.9
141.16405	5.0
155.17950	10.7
183.17490	4.1
240.10788	5.2
429.88580	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	469.3158
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02358	1.0
53.03923	3.5
55.01867	1.4
55.05503	18.9
57.03420	2.9
57.07072	5.4
59.04971	1.5
61.02909	1.4
62.05185	0.7
65.03923	3.7
67.05498	30.8
67.34763	0.8
68.99789	1.3
69.03422	10.0
69.06690	1.2
69.07064	22.4
70.06567	1.3
71.04992	4.5
71.08616	2.1
71.73655	1.0
72.08109	2.0
73.06541	2.5
74.05968	0.7
79.05485	16.1
81.02943	1.1
81.03409	19.0
81.07047	91.6
82.07351	1.9
83.04986	1.5
83.08611	9.9
84.08147	1.3
85.02897	9.9
85.06517	3.4
86.09693	4.8
87.00807	1.7
91.05468	35.6
93.07034	32.5
95.04954	4.6
95.08596	100.0
96.08935	1.3
97.02881	5.6
97.06506	3.2
97.10154	9.5
99.04446	4.1
99.08067	2.1
99.79829	0.9
103.05435	2.7
104.10738	1.1
105.07019	37.8
105.07722	2.1
107.04920	1.3
107.08582	33.8
109.02863	16.5
109.06482	3.1
109.10142	50.5
111.04439	1.1
111.08099	4.1
111.11681	3.8
113.09662	1.4
115.05410	2.1
117.07015	2.7
119.08567	14.3
121.02852	3.0
121.06469	1.9
121.10130	25.7
123.08041	3.3
123.11685	18.4
124.99988	1.6
125.09614	5.4
127.03924	9.0
127.11170	1.2
128.06149	0.9
129.06950	2.5
129.10220	0.9
131.04918	2.0
131.08553	4.5
133.06448	2.9
133.10118	9.9
135.08005	2.6
135.11676	15.7
137.05954	1.1
137.09598	2.9
137.13235	9.6
139.11151	7.0
141.06953	1.4
141.12697	0.9
143.08549	2.3
143.10661	1.7
145.04927	2.0
145.06451	0.9
145.10104	10.3
147.07999	1.2
147.11649	7.8
149.02330	26.7
149.09589	2.5
149.13228	18.6
150.02620	1.2
151.07536	1.2
151.11172	4.0
151.14810	18.3
153.12714	1.8
157.06456	2.2
157.10126	1.9
157.12224	2.3
159.04431	1.6
159.07967	1.3
159.11676	11.8
161.13258	8.4
163.11176	2.3
163.14783	11.4
165.07057	0.8
165.09042	2.4
165.12711	2.5
165.16370	2.3
169.10193	1.2
169.12209	3.0
171.11673	1.0
173.09526	1.4
173.13260	6.4
175.07542	2.0
175.11133	1.1
175.14777	4.7
175.60277	0.9
177.05501	1.3
177.12740	1.3
177.16350	6.6
179.14285	3.2
179.17857	1.3
181.08559	1.7
184.07335	7.1
185.05873	1.6
185.13197	1.7
187.14818	3.3
189.05479	1.0
189.16420	4.3
191.14349	1.7
191.17938	8.4
193.15892	1.9
195.17433	1.1
199.14842	1.1
201.05374	1.4
201.16368	5.8
203.06992	1.4
203.10631	1.4
203.17891	1.9
205.04869	2.5
205.15869	2.0
207.17476	1.1
209.09537	1.0
209.15657	1.1
213.05473	1.4
215.03345	1.9
215.17984	6.2
217.19350	1.0
219.17445	5.3
221.08035	1.7
221.15340	0.9
227.17818	0.9
229.19418	1.7
231.21046	2.6
233.18962	2.3
237.18396	1.1
261.25848	1.2
271.24194	13.8
289.25229	41.8
290.25537	2.0
307.26266	5.2
317.11569	0.9
335.05692	1.1
337.10629	8.3
349.10629	3.1
361.10532	1.1
373.10611	1.3
391.11722	16.0
392.11865	2.6
399.23648	1.0
403.11859	7.9
404.11984	1.0
415.11896	5.0
427.84271	1.0
433.12759	2.7
451.13834	1.8
451.30563	1.4
469.24368	1.6
469.31525	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	469.2429
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	31.6
67.05496	29.9
67.23685	8.1
68.17399	9.3
69.07053	8.4
71.74517	13.5
79.05490	28.0
81.03415	34.4
81.07066	23.9
83.08608	26.5
91.05485	23.4
93.07037	36.1
95.01325	21.2
95.04966	25.8
95.08587	13.1
105.07018	20.8
109.06477	10.4
112.66612	9.4
117.07028	16.6
121.10139	13.0
127.11123	10.5
131.08597	14.5
155.08521	12.2
165.12755	26.0
171.08066	11.3
189.57115	10.7
197.34229	10.1
215.10681	13.2
225.09099	13.3
232.34299	10.8
243.10191	42.9
261.11313	23.0
271.62173	10.7
275.19955	16.4
289.10712	40.6
294.21921	37.7
307.11761	39.1
325.12796	100.0
349.38113	10.5
415.21194	10.2
433.22458	17.0
451.23151	16.6
460.74838	10.9
469.23843	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	469.2427
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	32.2
67.05488	36.4
69.07035	19.6
71.58841	12.7
71.74825	18.6
79.05475	46.8
81.07048	100.0
83.08588	22.6
91.05460	45.2
93.07027	37.9
95.01322	23.0
95.04960	24.4
95.08593	37.4
105.07001	46.7
107.04964	19.1
107.08571	30.1
109.06477	39.6
115.38653	14.7
119.08511	26.0
121.10085	12.5
131.08556	19.7
135.08072	15.7
141.01753	16.4
145.10031	21.1
147.11673	28.1
161.13249	15.1
165.12714	24.2
269.10922	12.3
275.20068	75.2
299.16867	12.6
316.27377	12.6
348.77484	14.8
433.21970	20.1
451.22284	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	469.2426
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	31.8
63.37513	16.4
67.05493	63.6
71.74676	18.6
71.75369	17.8
73.65512	16.9
79.05478	44.2
81.07056	100.0
83.08619	38.5
84.69160	20.0
91.05475	62.0
93.07024	42.1
95.01350	19.9
95.08608	43.2
105.07018	55.9
107.08579	22.3
109.06518	39.4
117.06965	18.2
119.08552	44.5
121.10129	20.7
130.55844	17.5
131.08578	28.7
133.10062	19.9
145.10120	28.9
147.11693	34.0
165.12746	21.5
190.52576	20.4
235.64833	17.7
249.70755	17.2
257.19000	30.7
275.20035	64.5
310.44992	21.3
433.22360	41.7
451.23373	22.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.2434
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46348	2.4
53.03935	4.3
55.01865	19.1
55.05506	24.9
57.03424	6.1
58.42807	2.5
58.45132	2.7
58.99586	4.1
65.03918	2.4
65.13068	2.7
67.05496	60.3
69.03410	7.9
69.07063	36.3
70.06610	4.7
71.04980	6.5
71.08611	2.9
71.72780	3.9
72.08157	2.7
79.05489	57.5
81.03412	7.4
81.07049	100.0
83.04969	10.6
83.08619	17.7
85.02874	5.8
85.06542	6.3
86.00636	3.4
91.05469	64.4
93.07037	50.1
94.06572	2.6
95.01348	3.4
95.04965	13.3
95.08595	38.5
97.02863	4.6
97.06552	14.4
97.10138	4.1
99.08086	4.9
103.05460	4.4
105.07021	60.5
107.04928	6.7
107.08595	34.9
109.06498	18.2
109.10149	14.9
111.00787	3.3
111.04440	3.9
111.08083	10.7
116.01691	8.4
117.07018	13.3
119.04915	4.2
119.08566	48.3
121.06493	4.7
121.10127	37.4
122.09644	2.9
123.04430	5.2
123.08049	11.8
123.11691	22.4
125.09676	3.9
128.06226	3.0
129.06984	9.8
131.08565	21.4
133.10138	31.0
135.07993	4.7
135.11681	13.0
137.05974	6.8
137.09605	6.8
138.03685	5.1
139.07539	5.0
143.08582	5.9
145.06360	3.9
145.10071	13.5
147.04373	3.3
147.08054	5.4
147.11679	73.9
149.06046	4.7
149.09618	12.6
149.13261	9.4
150.03687	2.9
150.09203	3.0
150.12753	2.8
151.03848	3.6
152.05312	3.5
157.08693	5.7
157.10133	12.7
159.08041	3.0
159.10469	3.1
159.11693	11.6
161.09644	5.1
161.13243	11.8
163.07539	3.4
163.11212	4.2
165.12735	23.4
166.06874	7.1
171.11653	5.6
173.09610	4.6
173.13258	7.0
175.11206	11.0
175.14743	3.5
177.09109	8.9
179.10645	9.2
183.13847	7.0
185.09540	3.0
185.13210	4.6
187.11055	2.7
189.09114	3.1
193.12234	6.5
195.10095	14.2
201.12854	2.6
205.08540	3.9
207.06534	7.1
211.13174	2.8
229.12154	2.8
229.14302	3.4
231.21107	3.7
241.19495	10.8
253.06290	4.1
259.20547	30.3
268.08679	6.6
273.18381	5.4
275.19992	6.8
277.21674	14.3
280.13651	4.4
303.19379	4.8
308.22275	3.8
341.17407	5.8
348.19730	13.5
351.19495	3.0
361.16943	2.7
363.18121	3.5
366.20978	10.4
369.20596	3.9
371.22211	3.6
379.18332	2.7
382.15607	11.4
387.21561	5.2
397.19940	13.3
405.22504	8.4
415.21344	14.0
423.23834	5.4
433.21976	21.4
451.22705	47.0
469.23785	41.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.3082
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	0.5
56.05027	2.6
57.03444	0.8
57.07073	4.5
58.06593	100.0
59.05015	0.3
59.06930	0.6
67.05506	1.0
69.07066	0.8
71.08614	3.6
76.07636	5.0
81.07057	1.3
83.08619	0.8
85.10171	1.7
85.18733	0.3
89.06049	0.4
95.08610	1.5
96.31001	0.3
97.10189	0.5
107.07771	0.3
109.10188	0.8
113.79704	0.3
123.11707	0.3
156.04173	0.6
194.32733	0.3
203.80765	0.2
230.08031	1.0
239.23721	0.3
296.29773	0.4
300.96225	0.3
313.27332	24.7
314.27881	0.6
450.30151	0.8
468.17114	0.3
468.31033	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.3891
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	2.1
57.03421	3.4
57.07068	100.0
58.07392	2.5
59.04715	2.0
59.04994	30.1
62.60262	1.1
67.05482	1.9
69.07053	4.1
69.58010	2.2
69.58421	9.9
71.08622	91.8
72.08955	2.4
81.07045	2.7
83.08600	4.6
85.10170	86.9
86.10507	1.3
87.36516	1.1
89.06020	39.9
95.08585	4.2
97.10150	2.5
98.98456	14.9
99.11723	11.0
101.09636	3.3
103.07504	1.4
107.07029	1.7
109.10168	1.7
110.10498	1.5
117.09119	5.1
125.13277	1.2
130.08698	1.4
133.08595	18.7
141.16376	9.4
147.10179	3.1
155.01018	12.2
156.01277	1.9
167.33656	1.1
177.11220	11.2
195.12289	12.7
199.20544	19.5
225.63042	1.2
235.15454	2.2
253.16483	6.0
257.24731	7.3
278.18198	1.2
283.17474	4.0
313.27347	3.6
314.27682	22.9
450.26816	2.3
451.36237	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	469.168
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.9
55.01839	1.1
55.05503	1.9
56.05018	1.1
57.03409	1.2
61.02930	4.4
67.05501	1.4
69.03420	2.0
70.06584	9.1
71.04961	3.9
71.72505	1.3
72.07829	0.9
72.08155	10.5
79.05465	1.8
81.03407	1.8
81.07037	3.8
82.06565	1.0
83.01078	1.4
84.04485	2.5
84.08143	7.8
85.02901	5.8
85.06531	2.2
86.09682	2.5
91.03937	2.6
91.05453	2.8
93.07034	2.2
95.01057	2.4
95.04949	1.1
95.08582	1.1
97.02860	2.7
98.09694	1.3
98.12444	0.8
103.90871	0.8
105.07004	2.0
107.04928	0.9
107.08598	2.1
108.08077	0.9
109.06551	1.0
109.10168	1.1
110.07151	3.8
110.09750	1.1
111.08057	0.8
112.11213	3.3
113.02110	2.9
114.10286	2.3
115.55289	0.9
116.07037	1.2
117.06928	0.9
119.08556	2.2
120.08083	1.4
121.02855	3.6
121.10115	1.8
124.07601	1.3
127.03872	1.3
129.13899	2.0
130.04982	2.3
131.08519	1.1
133.10075	1.7
136.07527	1.4
137.02292	1.0
137.09601	1.1
139.93294	0.8
145.63480	0.8
147.11647	1.2
148.07654	1.3
153.04048	3.3
157.04677	1.1
157.10092	1.0
159.11720	0.9
164.94644	0.9
166.08673	1.1
185.04225	5.4
189.01840	1.5
201.03696	1.4
203.03336	2.0
213.16351	1.0
217.04710	2.2
231.17365	1.4
232.04889	0.9
232.07072	15.3
239.04117	1.4
243.14795	1.0
244.16910	1.1
255.02873	1.6
259.07898	2.0
262.18042	1.5
267.19409	1.3
271.14163	0.9
275.08945	2.0
289.15601	1.3
294.74274	0.9
295.05997	1.8
298.20120	1.1
307.05954	2.4
307.20517	1.4
308.06723	1.6
309.07547	1.7
321.07471	3.9
335.08960	1.1
337.07269	1.9
337.11346	4.5
349.07056	3.7
354.22803	1.6
355.07599	1.1
359.09048	1.4
363.08401	1.1
373.06985	1.3
375.08792	1.6
379.08011	2.3
397.22253	1.0
398.25223	1.8
403.07980	1.8
405.09549	1.2
409.08795	1.7
421.08536	2.0
433.08920	4.3
438.14859	1.6
439.15500	1.8
451.10550	5.9
469.10550	10.5
469.16660	100.0
469.32620	5.8
470.16827	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	468.308
Annotation	1-heptadecanoyl-glycero-3-phosphoethanolamine
Peak:m/z	Relative Intensity
55.05500	2.7
57.03426	3.5
57.06834	2.6
57.07071	31.7
62.06081	24.1
67.05490	6.3
69.07050	6.6
69.51273	20.4
71.08629	18.7
71.76652	1.9
78.24173	2.1
81.07040	8.1
83.08604	5.3
84.04484	3.8
85.10168	12.0
89.06022	12.3
93.07008	2.0
95.08592	9.2
98.98442	8.2
109.10108	5.1
109.70355	1.8
126.55795	2.1
133.08577	9.5
155.01031	6.9
157.86055	2.3
166.57732	2.1
176.42133	2.2
177.11259	3.5
194.87872	2.1
213.47885	2.8
216.06281	5.4
283.17422	5.3
296.29352	13.4
314.27667	5.2
325.73959	2.2
327.28888	100.0
407.25452	2.7
432.34290	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.3083
Annotation	2-tetradecanoyl-sn-glycero-3-phosphocholine
Peak:m/z	Relative Intensity
51.25830	0.6
55.05487	0.7
56.05023	1.3
57.03418	0.8
57.07084	3.0
58.06577	0.9
58.74403	0.6
60.08158	15.8
67.05464	0.8
70.18376	0.6
71.07372	5.3
71.08600	1.7
71.75387	0.9
81.07048	1.1
84.10114	0.5
85.10165	1.1
86.09697	49.3
89.05998	0.6
95.08560	0.7
97.94577	0.6
98.98461	3.1
104.10732	100.0
105.11032	0.8
124.99995	24.0
141.55641	0.6
163.01561	0.9
184.07326	97.9
190.36305	0.5
195.23427	0.6
236.05756	0.6
258.10953	1.0
283.00845	0.6
285.24249	2.6
391.21640	0.7
450.29691	7.7
468.30884	21.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.2585
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.3
54.38895	2.7
55.01862	7.9
55.05515	13.2
56.67901	2.6
57.03416	4.2
57.05816	13.8
57.07067	2.7
57.88261	2.5
58.06567	2.5
58.44015	2.9
63.39962	2.5
67.05496	18.3
69.07067	24.5
70.06573	7.6
71.73028	5.8
72.08150	3.8
79.05488	23.9
80.05033	4.7
81.03398	6.3
81.07050	37.2
82.06571	15.0
82.07359	3.7
83.04964	6.5
83.08603	10.2
84.08115	3.2
85.02866	2.9
86.44466	3.0
91.05474	28.5
93.07026	19.3
94.06558	10.5
95.04964	7.3
95.07314	3.0
95.08598	13.3
96.08131	29.1
97.10131	3.5
101.05945	3.6
105.07034	23.3
106.06589	2.5
106.61820	2.9
107.04978	5.5
107.08580	11.3
108.08099	9.5
109.06526	7.7
109.10119	6.1
110.09669	5.6
115.05379	2.7
119.08594	15.6
120.08933	3.0
121.06509	4.4
121.10152	8.9
122.09627	6.1
123.08045	4.3
123.11670	4.8
129.06981	5.3
131.08572	12.5
133.06516	4.4
133.10062	5.9
135.08035	3.3
135.11719	3.4
136.11240	5.0
137.09616	2.5
141.07059	3.6
145.06390	3.9
145.10109	7.3
147.04414	3.6
147.11678	12.0
149.09583	4.5
150.12729	4.8
155.08531	3.6
157.10100	4.8
159.08060	4.6
159.11707	4.1
163.03867	3.2
164.07216	2.9
164.14319	7.9
165.12691	7.2
166.16010	2.7
173.09731	3.0
175.11168	3.7
177.09109	4.4
203.07086	3.8
205.08557	3.3
205.52222	3.5
216.13950	3.9
223.09621	7.5
229.14276	3.4
241.08611	3.8
272.12909	5.0
275.20050	6.7
276.20508	5.2
292.22656	12.8
294.21799	4.2
302.17642	3.7
351.19531	5.1
355.18948	5.6
361.17709	4.0
363.14307	3.2
367.19107	6.3
369.20670	3.8
373.20395	3.2
379.18875	8.8
385.20117	4.2
387.21973	5.2
397.20078	21.4
414.22504	3.5
415.21063	30.1
432.23679	4.8
433.22229	88.6
450.24860	12.2
451.23209	4.9
468.25949	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.201
Annotation	Unknow
Peak:m/z	Relative Intensity
54.79705	2.2
65.46097	2.8
68.66183	2.3
69.07038	3.0
70.06574	9.1
71.73987	4.5
72.08144	2.4
81.03413	2.4
84.04518	3.6
84.08132	9.9
86.09698	100.0
110.07146	7.3
113.06990	2.5
114.05522	3.2
125.44109	2.4
129.10243	4.7
131.03796	2.3
132.10193	90.6
136.07524	4.4
163.94244	2.7
166.06792	2.9
252.52528	3.1
282.21826	2.8
304.81772	2.8
468.16107	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	468.2156
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01847	4.7
55.05495	5.7
58.99574	17.8
59.61224	1.4
61.02918	1.4
61.98201	1.4
64.14970	1.7
67.05472	4.3
68.05013	2.1
69.03412	2.2
69.07040	4.5
70.06569	6.3
71.05006	1.7
71.21428	3.3
73.01115	2.3
74.06068	2.0
76.02229	2.5
76.03963	3.3
79.05483	8.4
80.04994	6.3
81.07053	8.1
83.06097	1.8
84.04488	16.6
84.08106	4.8
85.01124	3.2
85.02872	5.4
86.00648	2.3
86.06060	39.9
86.09673	6.8
86.99017	5.8
87.02657	3.7
88.02192	4.6
91.05463	10.0
93.05770	4.0
93.07014	6.5
94.06551	3.9
95.04933	2.3
95.06057	1.5
95.08570	5.9
96.04481	2.1
96.08087	2.2
97.01073	1.5
98.00611	2.1
98.06036	4.9
98.09668	4.4
101.04192	2.4
102.05506	2.7
105.07018	18.6
107.08591	9.1
108.08106	69.6
109.10130	3.3
110.05995	4.5
110.07172	11.0
110.09656	6.9
112.03960	9.6
113.04210	5.6
114.05474	2.3
115.07512	1.6
116.01665	43.3
119.08568	17.2
120.08066	6.2
121.10063	2.8
122.09662	3.9
124.07573	2.7
126.03728	18.6
130.04971	18.4
130.06750	2.0
130.08641	1.9
131.08519	2.1
133.10104	12.1
134.09613	6.9
136.07536	1.9
136.11223	4.3
141.33717	1.5
142.03197	24.8
142.04932	2.9
144.01140	13.7
144.04785	17.9
144.06488	2.8
146.09639	3.5
148.07529	2.0
148.11154	5.1
152.10655	2.4
155.06039	2.2
156.08391	2.2
161.13234	36.7
162.02214	16.0
163.14783	2.6
169.07545	4.7
170.02727	1.9
174.09183	1.5
176.10715	2.0
176.14293	7.5
177.05463	1.8
178.15891	12.1
180.17552	1.7
183.05669	5.1
184.07330	3.4
188.03717	4.1
190.12354	1.7
195.05539	2.0
195.11967	2.4
197.07147	2.7
199.05363	4.1
201.06895	1.8
210.13148	3.8
213.08549	3.2
216.06793	3.2
220.09657	6.1
225.06546	4.1
229.06201	5.9
236.14497	7.0
244.16919	2.9
245.05847	17.9
246.18452	4.6
247.07445	30.1
259.11063	6.7
264.13428	2.1
267.07648	2.5
271.07034	5.2
273.05289	2.8
290.17490	10.1
291.06412	21.6
292.13089	2.1
295.06998	6.2
309.15518	7.2
313.08145	2.5
315.13660	1.9
321.19949	6.8
331.09213	2.4
339.17438	4.6
349.06955	1.9
349.19400	8.6
354.14667	2.9
362.12387	1.9
375.17374	5.8
386.12482	2.7
393.18289	6.4
398.13831	9.0
408.12820	4.4
422.14844	7.3
424.16843	4.3
424.22592	84.0
425.22797	3.1
432.12613	3.3
451.10229	3.6
468.15094	11.8
468.21558	100.0
469.21573	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	468.1604
Annotation	Unknow
Peak:m/z	Relative Intensity
53.38821	1.5
55.01849	1.8
55.05490	7.3
56.05027	1.9
58.06570	1.8
68.05002	3.4
69.03410	6.5
69.05787	6.1
69.07037	3.3
70.06580	19.0
71.75893	2.2
72.08136	3.1
73.02890	2.2
74.94186	1.6
80.41768	1.5
81.03391	5.7
81.41394	1.6
82.06559	3.2
83.08587	5.2
84.08130	5.7
84.08908	2.0
85.02897	16.2
85.06522	1.9
85.07660	11.7
86.06044	3.2
86.07990	3.0
86.09688	10.4
87.00803	6.9
87.05578	100.0
87.09204	7.0
88.07604	3.5
91.05502	1.6
96.08129	11.7
97.02872	13.5
97.06530	8.0
98.09673	5.0
99.04414	3.5
100.07580	6.2
100.11240	20.8
101.11603	3.2
102.56665	1.5
103.05412	2.9
105.01842	6.3
107.23235	1.4
108.61882	1.7
109.02869	8.6
110.06019	4.5
110.07143	3.1
111.04415	2.9
111.87605	1.5
112.07588	2.2
114.09138	5.7
118.06515	2.0
120.08089	30.9
124.32545	1.8
125.81655	1.5
127.03912	16.9
128.07043	4.1
129.01701	2.1
129.10208	3.1
130.06496	1.7
136.07613	1.9
137.07317	1.4
145.04953	10.5
152.05649	2.9
158.05960	2.5
159.02856	4.2
161.05975	4.6
163.19621	1.5
174.09143	4.9
180.13736	1.5
182.15367	7.3
183.15712	4.7
203.07033	7.7
204.69839	1.9
205.13405	2.7
209.16527	2.0
210.14876	15.8
210.16663	2.5
211.15166	5.9
220.09644	5.1
220.11749	2.1
223.14258	2.6
224.12798	2.3
225.16028	2.1
227.17555	3.3
231.04881	2.9
232.09595	4.1
249.12340	4.0
255.14154	2.1
277.59738	1.6
338.21585	2.7
354.23862	4.6
355.23923	3.9
362.20624	3.6
408.21307	13.5
409.21323	2.0
432.30362	4.3
449.31183	9.6
449.36478	1.6
450.31540	30.5
467.32077	5.9
468.32434	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	467.3729
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	13.3
57.03441	1.6
57.06804	1.8
57.07073	36.2
59.04979	4.8
65.03923	2.7
67.05498	100.0
68.05815	1.8
69.07069	10.3
71.04985	2.9
71.08250	2.2
71.08624	26.4
71.40978	1.4
71.73145	2.6
79.05473	4.0
81.07056	28.6
83.08605	17.3
83.24791	1.5
85.06524	4.1
85.10168	16.9
91.05499	10.4
93.07032	3.4
95.08596	29.5
97.10164	7.1
107.08611	3.8
109.10143	86.5
111.08094	2.8
119.08549	5.2
120.78183	1.5
123.11700	3.6
125.13208	2.3
133.10103	3.4
137.09601	4.0
137.13304	2.9
142.02197	1.5
155.10672	5.9
155.12027	1.4
167.84497	1.7
173.11725	33.6
173.13269	1.6
223.83484	1.6
239.23708	7.2
311.00043	1.6
467.22781	2.9
467.37296	81.3
468.37796	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.3729
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	13.2
57.07072	35.6
59.04984	4.4
65.03895	2.4
67.05497	100.0
69.07069	10.2
71.04975	3.3
71.08625	23.8
71.76609	2.1
75.80759	1.4
76.65963	1.5
79.05506	4.1
81.07049	29.3
83.08608	16.3
85.06542	2.0
85.10175	13.3
91.05453	8.4
93.07053	4.9
95.08600	30.0
97.10146	4.4
105.07002	3.2
107.08600	4.5
109.10146	81.9
111.08105	2.5
111.11782	1.7
114.60268	1.3
115.96441	1.6
119.08546	9.3
121.10112	2.1
123.11674	3.2
125.45380	1.8
137.09663	3.7
137.13255	2.5
147.11670	1.7
155.10701	2.2
157.10037	1.9
163.14857	2.0
173.11757	28.8
173.13248	4.4
180.88187	1.6
183.11707	1.9
185.13454	2.0
187.82622	1.4
210.53999	1.4
214.54474	1.7
228.72202	1.7
239.23645	8.5
311.23636	10.5
467.37335	77.1
468.38065	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	467.3515
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23187	5.1
54.77096	4.7
55.05497	9.3
57.07059	9.6
67.05500	43.1
69.07065	10.5
69.91254	18.4
69.91661	9.4
71.08601	7.5
72.91880	4.2
79.05478	11.3
81.07053	22.5
83.04974	7.8
83.08633	6.6
91.05478	18.3
93.07029	29.0
95.08596	86.3
98.20741	8.8
105.07013	29.1
107.08582	32.8
109.10133	49.0
117.07002	10.4
119.08562	33.9
121.10139	33.3
123.08081	9.8
123.11694	6.2
131.08482	10.9
133.10124	24.7
135.08017	5.1
135.11697	9.2
140.04877	4.4
143.08537	7.4
145.10071	26.9
147.11632	31.9
149.09554	8.3
151.07533	23.5
153.37125	4.4
157.10095	15.5
159.11700	12.7
161.09566	5.7
161.13242	18.5
163.11136	5.8
173.09637	4.9
173.11809	6.1
173.13269	12.9
175.11198	6.0
175.14864	10.3
185.13318	6.2
187.11217	4.8
187.14758	10.1
189.12758	5.3
189.16437	11.0
191.10648	16.0
199.14799	13.2
201.16318	7.1
203.14340	12.2
203.17961	24.5
205.12282	15.8
213.16377	6.0
217.15863	20.7
219.17337	5.7
231.17400	8.4
247.16946	12.9
261.18378	6.0
269.18811	4.3
293.22675	5.7
311.23645	100.0
311.27014	8.2
313.25317	5.0
330.58728	5.2
353.25281	4.6
405.58127	4.7
407.33057	15.6
423.97412	4.8
424.03177	4.9
435.32495	14.8
467.36612	20.4
468.35614	4.8
486.61777	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	467.3518
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86187	2.0
55.05499	8.2
57.07059	8.0
59.04987	2.8
63.91677	2.1
67.05499	34.2
69.07060	16.4
69.16357	2.2
69.73888	5.0
69.74297	13.0
70.74333	2.2
71.04977	2.4
71.08620	6.3
73.10202	2.0
79.05500	11.8
81.07046	16.6
83.05009	2.6
83.08611	3.4
83.44679	2.3
85.10163	5.5
91.05448	11.9
92.12376	1.9
93.07047	23.7
95.08600	49.1
97.10149	3.5
105.07016	17.0
107.08579	45.5
109.10138	18.6
114.46696	2.3
115.22173	2.2
117.07010	6.4
119.08572	26.6
121.10135	27.0
123.08036	8.0
123.11678	6.2
125.09621	4.8
131.08577	9.7
133.10120	21.4
135.08110	2.7
135.11700	10.9
137.09572	3.2
143.08542	8.2
145.10094	14.1
147.11674	15.0
149.09657	3.1
149.13240	5.9
151.11104	2.2
153.22263	2.5
155.10757	2.4
157.10138	8.5
159.11717	22.7
161.13254	7.9
163.14815	23.3
167.10590	4.0
169.10150	4.3
171.11641	12.0
173.11809	3.3
173.13222	27.4
175.11169	2.6
175.14780	6.7
177.12666	2.4
183.11670	8.8
185.13258	7.6
187.14818	8.6
189.12660	4.7
189.16461	3.3
195.11659	3.2
197.13193	4.1
199.14828	4.8
201.16278	2.7
203.18074	3.1
209.13194	2.7
211.14896	3.1
213.16379	5.9
215.14236	3.4
217.15924	3.3
225.16400	4.0
227.17850	4.9
229.15894	4.4
229.62770	2.3
231.17383	5.1
237.16222	3.3
243.17461	8.9
245.18974	6.4
257.19009	9.2
271.20520	5.1
290.04105	2.5
293.22714	3.1
309.22189	3.5
311.23660	100.0
313.25125	3.2
407.33069	11.7
417.31644	6.0
429.20578	2.3
435.32617	17.8
436.32556	2.7
467.35901	19.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.3479
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	9.3
57.03426	3.2
57.05792	1.7
57.07071	9.7
64.15485	0.9
67.05489	4.8
69.07053	2.3
69.69968	2.1
69.70374	5.7
71.08624	7.0
72.08145	100.0
74.09675	1.1
81.07059	5.7
83.08593	2.8
85.10160	2.7
89.06021	3.2
93.07016	1.0
95.08594	6.9
98.98457	13.5
105.91187	1.0
106.05001	1.4
109.10148	3.2
120.36243	1.0
123.11731	1.2
133.08609	2.2
136.99998	1.1
151.64531	1.0
155.01012	15.0
187.10809	0.9
203.78802	0.9
283.17374	1.4
313.27328	29.3
314.27798	1.1
334.30972	9.9
351.20862	0.9
362.30453	2.7
449.26447	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.3002
Annotation	Virescenoside Q
Peak:m/z	Relative Intensity
50.83463	1.1
52.06708	1.1
53.03938	7.3
55.01851	2.2
55.05505	30.1
57.03426	5.3
57.07068	6.4
59.04982	1.8
59.65969	1.2
60.05636	5.0
64.52616	1.4
65.03922	2.5
67.05498	33.7
69.03425	10.8
69.07061	48.5
70.06582	23.4
71.04986	8.8
71.08634	2.0
71.75254	1.5
71.75628	1.5
72.08147	3.9
79.05485	28.2
81.03408	53.2
81.07049	100.0
82.07378	2.3
83.04977	3.5
83.08611	20.4
84.08150	2.0
85.02914	8.8
85.06534	5.2
86.09711	2.4
91.05470	24.6
92.05803	2.0
93.07034	65.0
95.04951	7.8
95.08596	74.3
96.08891	1.7
97.02871	2.9
97.06517	12.7
97.10159	15.7
99.04456	9.8
99.08069	3.4
103.05484	1.9
105.07023	56.6
105.59245	1.3
107.08582	72.3
109.02306	0.8
109.02864	37.4
109.06519	4.2
109.10147	45.6
110.07146	1.7
111.08076	5.7
111.11707	4.0
112.08707	2.7
113.09655	1.5
114.10271	1.3
115.05486	1.4
116.07072	2.7
117.07018	4.3
119.08569	59.9
121.06513	2.2
121.09259	2.7
121.10130	47.2
123.04396	1.3
123.08051	4.9
123.11692	29.8
125.05955	1.5
125.09605	8.6
127.03899	10.1
127.11133	1.8
128.38356	1.1
129.06984	2.8
130.04980	1.8
131.08594	9.6
133.10109	38.3
135.08022	2.3
135.11681	26.3
137.05975	2.0
137.09666	2.1
137.13225	7.9
139.11154	9.1
139.67867	1.2
142.07806	1.3
143.08551	6.2
143.10661	1.6
145.04945	2.6
145.10101	15.0
147.08015	1.2
147.11667	41.9
148.12012	2.6
149.09683	2.4
149.13243	92.3
150.13548	2.3
151.11166	5.0
151.14838	2.8
153.12672	2.6
154.87325	1.2
157.10115	5.6
158.09290	1.9
159.11667	17.2
161.09708	1.4
161.13246	21.3
163.11186	4.4
163.14815	18.2
165.12723	4.2
166.13051	1.4
171.11673	4.7
173.04431	5.3
173.13248	10.3
175.11862	2.2
175.14818	11.3
177.12761	5.0
177.16383	7.5
179.14284	2.6
185.13150	2.7
187.14777	6.0
189.12761	2.6
189.16379	18.5
191.05443	1.4
191.14328	4.4
191.17958	1.5
193.15895	2.0
195.15016	2.3
195.17303	2.3
196.81374	1.3
199.14735	4.4
201.16356	3.3
203.17937	5.1
205.15889	2.1
213.16356	6.4
215.18042	1.4
217.15712	2.5
224.80643	1.2
227.17979	2.2
229.19418	2.2
231.17484	3.0
231.21060	2.0
243.21117	1.2
245.19130	1.3
259.20801	1.3
259.24182	9.1
269.22647	15.3
270.17664	1.5
277.25208	10.7
279.06516	1.5
287.20447	2.6
287.23666	40.7
288.24139	1.9
291.06598	2.9
305.24710	15.9
309.07736	2.1
319.17978	1.3
321.07706	1.6
400.95831	1.2
449.28952	7.7
450.11765	4.0
467.30185	42.4
468.30563	1.7
480.63641	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.2767
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74443	1.8
55.05502	4.8
57.03436	9.4
57.06841	2.7
57.07076	32.4
67.05509	12.1
67.24241	2.2
69.07044	6.0
69.61987	16.9
71.08624	27.7
81.07049	10.5
83.08597	7.5
85.10181	12.9
89.06027	3.5
95.08601	14.6
97.10178	3.6
98.21464	3.3
98.98457	42.1
109.10143	6.1
116.99527	1.9
123.11724	4.1
136.99991	4.2
155.01016	51.2
168.59886	2.2
177.79910	2.0
196.48848	2.3
211.03615	1.9
218.87329	2.0
229.04793	3.3
239.23550	5.3
313.27356	100.0
449.26636	11.6
467.37332	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	467.1888
Annotation	Unknow
Peak:m/z	Relative Intensity
60.04524	2.4
61.91153	1.9
69.54695	16.2
70.06594	14.2
72.08137	7.0
84.04475	6.6
84.08129	8.5
84.93445	2.0
86.09701	6.6
97.09526	2.4
102.05543	3.5
110.07159	4.3
120.08086	13.2
123.71650	2.3
129.10275	5.4
136.07520	3.7
137.02278	2.3
137.05988	2.2
287.12527	7.9
295.12961	3.4
305.13544	54.0
323.13324	2.2
325.10931	2.1
467.18878	100.0
468.19162	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.2097
Annotation	CARAPIN-8 (9)-ENE
Peak:m/z	Relative Intensity
56.05013	0.5
69.03423	0.7
69.60895	0.7
69.61306	2.4
70.06582	1.0
72.08143	1.0
74.29813	0.3
81.03398	0.4
84.04540	0.4
84.08130	1.1
85.02891	1.4
86.09698	0.8
91.05473	0.6
95.01327	0.3
97.02883	0.4
109.02851	0.5
112.11266	0.5
112.48942	0.4
119.04988	0.4
120.08112	0.5
124.07600	0.4
127.03974	0.4
129.93623	0.3
136.07568	0.8
137.02330	4.6
137.06023	0.5
138.02666	0.3
143.78261	0.3
144.08060	0.6
147.04462	0.7
148.07663	0.4
179.03331	0.4
241.35869	0.3
269.12894	0.4
279.14487	0.4
285.12347	0.4
287.13870	0.9
303.13428	0.5
305.06396	1.2
305.12119	0.5
305.15677	12.8
306.16129	0.5
321.11191	0.4
323.13605	0.5
347.06482	0.4
365.14618	0.6
404.13455	0.4
449.14822	0.4
467.20999	100.0
468.21573	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	466.4101
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23898	3.6
57.06806	5.5
57.07072	100.0
58.29708	3.3
59.04995	53.0
67.05482	5.9
71.08627	68.0
71.30564	3.3
79.48519	3.6
85.10173	62.0
88.89474	3.7
98.20689	11.5
99.11729	18.4
103.07596	8.9
113.13320	6.4
117.09127	21.8
144.00006	3.5
147.91074	4.5
154.06728	3.6
155.17860	7.5
156.67145	3.7
161.11732	4.3
184.50917	4.0
199.99123	4.3
213.22127	13.9
271.26367	16.9
449.38229	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	466.4099
Annotation	Unknow
Peak:m/z	Relative Intensity
53.99775	3.5
57.07076	84.4
59.04998	76.6
61.92087	3.1
69.07047	6.4
69.89175	11.8
69.89577	6.7
71.08250	7.1
71.08627	100.0
82.67612	3.6
85.09679	6.4
85.10177	90.7
90.22306	4.0
97.10161	4.2
99.08126	4.9
99.11704	15.7
101.09644	4.2
105.86539	3.5
110.18158	3.8
117.09123	31.9
120.87637	4.2
123.06907	4.3
141.16368	9.0
175.13327	4.1
189.41075	4.4
199.20502	22.4
213.22142	4.7
257.24701	21.4
287.60568	3.9
298.79568	4.1
449.38553	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	466.3161
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07072	6.1
58.06568	2.0
64.80149	0.4
65.03912	2.3
69.07027	0.5
69.40881	1.5
69.41295	3.4
70.06586	16.2
71.08617	3.2
74.27148	0.5
85.10157	0.6
88.07619	18.3
98.21222	2.3
99.74253	0.4
102.08498	0.7
102.09165	13.0
115.77051	0.5
121.02848	0.8
139.03842	1.4
149.02332	51.7
149.03412	2.9
162.97824	0.5
193.04953	52.6
194.05304	0.8
212.23708	0.7
218.26390	0.4
237.07562	61.9
238.07811	0.5
256.26340	48.0
257.26685	1.1
263.95068	0.5
300.29053	2.4
466.31625	100.0
467.31830	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	466.2815
Annotation	Dehydrodelsoline
Peak:m/z	Relative Intensity
55.05499	0.9
59.04956	0.5
63.23945	0.4
65.03936	2.8
65.78255	0.4
67.05492	1.7
69.07061	0.9
70.06590	0.7
71.72397	0.5
71.72775	0.7
72.08122	0.6
76.55338	0.5
79.05492	1.4
81.07050	2.5
83.08607	0.9
85.18387	0.5
91.05473	100.0
92.05805	0.9
93.07030	1.5
94.81179	0.5
95.08601	2.3
105.07051	0.6
107.08599	1.1
109.10123	0.8
119.08607	0.5
136.06186	0.6
148.06171	1.8
149.13313	0.5
169.15855	0.9
187.17096	0.5
226.10863	32.5
420.23950	1.0
462.10587	0.5
466.28104	55.2
467.28809	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	466.2647
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.1
55.01864	1.9
55.05501	2.1
57.03431	3.9
57.07067	1.9
61.02919	2.3
66.60062	0.7
67.05518	4.4
67.98755	0.7
69.03419	7.7
69.07080	3.8
69.55498	6.0
70.06589	2.4
71.01337	1.0
73.02912	12.2
79.05479	7.8
81.03436	1.2
81.07050	100.0
82.07362	0.9
84.08143	1.6
85.02895	19.9
85.03393	1.5
86.09696	1.6
91.05472	0.7
93.07039	1.4
95.08597	15.4
97.02886	13.0
100.11287	1.1
100.16755	0.8
103.03848	0.7
109.02882	2.4
114.14008	0.8
115.03917	6.2
127.03923	6.9
129.10124	1.1
133.04971	9.0
137.13242	17.0
145.04953	8.1
163.06058	2.0
168.13876	1.0
182.15405	1.0
196.13504	0.7
211.15234	0.8
223.06004	1.7
241.07069	2.7
259.08139	3.3
269.79962	0.9
287.73071	0.7
295.10132	1.5
314.73303	0.9
423.30331	1.1
439.20917	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.2644
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52291	2.0
55.01869	2.1
55.05497	8.2
57.03423	10.0
58.82486	1.6
61.02906	4.1
61.25694	2.0
67.05495	29.1
69.03413	5.9
69.07058	16.0
69.74477	9.4
69.74887	4.4
70.06575	10.3
71.04963	3.9
72.08137	6.1
73.02912	1.8
77.07955	1.6
79.05489	17.9
81.03402	8.5
81.07047	51.3
82.07372	2.1
83.04973	3.8
83.08598	5.9
84.08118	2.2
85.02876	6.6
85.06538	5.0
86.09683	2.5
91.05462	15.6
93.07036	28.0
95.04975	3.3
95.08591	19.9
97.02869	3.1
97.06527	4.7
97.10159	4.4
98.21398	3.9
99.08087	2.5
105.07006	13.6
107.08585	23.0
109.02854	5.8
109.06486	4.4
109.10138	8.4
110.07146	5.1
111.08076	4.0
117.06970	5.0
119.08560	11.7
120.08054	2.6
121.10160	15.0
123.11728	6.0
125.09638	3.5
127.03898	4.0
131.08595	5.8
133.10117	10.9
135.08044	4.3
135.11676	7.1
137.05951	3.2
139.11191	2.2
145.10106	4.5
147.11668	7.3
149.13231	21.1
151.07527	3.1
157.10036	2.4
159.11737	12.7
161.13245	2.5
163.11124	2.4
173.13206	2.4
177.12723	10.8
179.14319	3.8
189.16380	2.2
195.13858	6.0
213.16504	2.2
269.17453	100.0
287.23636	5.8
385.49814	2.2
466.23822	2.5
466.30386	4.5
467.30942	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	466.2647
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79585	0.6
55.05505	5.4
57.03434	4.6
57.07061	1.0
61.02906	2.1
65.03934	1.1
67.05500	20.9
69.03429	1.4
69.07063	8.3
70.02299	3.9
70.06590	3.3
71.04968	2.8
72.08129	1.9
73.02915	1.5
79.05482	11.6
81.03390	1.5
81.07051	26.9
83.04965	2.8
83.08620	5.6
84.04501	0.7
85.02878	2.7
85.06524	1.7
86.06112	0.7
89.06059	0.7
91.03923	0.7
91.05470	7.3
93.07038	21.5
95.04957	2.2
95.08606	8.0
97.02894	1.8
97.06522	4.4
97.10159	1.2
99.04482	1.0
99.08086	1.3
105.07021	4.6
107.04948	0.7
107.08585	12.4
109.02877	1.1
109.06560	0.8
109.10136	2.2
110.07153	1.0
111.08052	3.3
117.07015	3.6
119.08566	1.4
121.06488	1.0
121.10136	8.2
123.11688	1.7
127.03899	1.4
130.05023	0.8
130.89465	0.6
131.08571	3.3
133.10138	4.1
135.08078	0.7
135.11659	4.0
135.86566	0.6
137.05974	0.8
139.11118	1.3
145.10089	1.2
147.11655	1.1
149.13245	16.2
157.10104	0.8
159.11696	9.0
161.13248	0.9
163.14912	0.8
177.12718	6.0
179.14314	0.9
185.57445	0.7
190.72716	0.6
195.13794	8.4
197.15054	0.8
213.14809	1.3
228.09967	0.6
269.17465	100.0
270.17776	1.3
430.26105	0.7
466.22781	0.8
466.28412	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	466.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.7
55.01682	0.3
55.01866	3.9
55.05501	9.0
57.03423	4.1
57.07070	0.9
58.74955	0.4
59.04985	0.8
61.02914	3.5
62.06063	0.6
65.03941	0.4
67.05498	12.7
68.99781	2.0
69.03422	20.8
69.07058	6.0
70.06578	2.0
71.01344	0.5
71.04981	6.8
71.75389	0.7
72.08129	0.8
73.02900	3.2
77.69507	0.4
79.05484	6.6
81.02937	0.8
81.03409	12.7
81.07046	47.9
82.07375	0.5
83.04984	2.0
83.06083	0.8
83.08607	9.0
84.04468	0.7
84.08111	0.6
85.02895	45.4
85.06535	2.3
87.00818	20.5
87.04437	0.6
91.03965	1.4
91.05468	6.9
93.07027	7.0
93.94910	0.5
94.06657	0.5
95.04954	1.8
95.06057	0.4
95.08593	11.4
97.02879	14.1
97.06503	1.4
97.10155	0.4
98.06021	0.6
98.35061	0.4
99.04443	6.3
99.08071	0.9
101.02401	0.4
105.01853	25.1
105.07015	17.2
107.08578	8.7
108.04456	1.3
109.02864	17.0
109.03629	0.7
109.06503	2.7
109.10136	1.9
110.07171	4.6
111.08080	0.9
113.05992	1.5
117.01836	1.6
117.06982	0.5
119.08572	10.5
120.08109	0.7
121.06491	0.4
121.10130	16.7
122.08304	0.5
122.10415	0.5
123.08127	2.3
123.11691	100.0
124.12022	2.2
125.09625	0.4
127.03900	30.3
127.07545	1.5
129.01845	1.6
129.06999	0.4
131.08553	1.0
133.10126	0.4
137.05974	0.6
137.09595	0.8
137.13242	5.7
141.12756	1.7
145.04936	8.7
145.10097	0.9
146.10396	0.4
147.02858	0.7
147.11668	47.6
147.95006	0.4
148.12015	1.1
155.08546	1.6
156.07657	0.9
157.10161	1.0
159.02841	5.2
161.09479	0.6
165.12737	53.8
166.13152	0.8
171.02861	0.5
171.28815	0.5
183.13785	23.0
189.03943	1.2
201.14832	6.6
213.03883	2.8
225.10196	0.6
231.04967	6.7
232.05482	0.5
249.06073	2.4
269.17242	0.4
304.15506	2.0
449.17322	0.6
466.20731	4.2
466.28571	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	466.2279
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.6
53.50491	0.9
53.77700	1.0
55.01863	3.8
55.05500	8.2
57.03429	3.7
61.02917	3.7
67.05499	10.7
68.99781	1.3
69.03423	17.5
69.07064	5.5
70.06568	2.8
71.00580	1.4
71.00942	2.4
71.04990	5.7
73.02907	3.7
79.05477	5.2
81.03407	13.4
81.07045	44.0
83.04955	1.8
83.08617	8.5
84.08129	3.1
85.02379	2.1
85.02897	41.7
85.06531	2.1
86.09708	1.5
87.00819	20.3
91.05460	6.6
93.07053	5.8
95.08605	7.6
97.02872	15.2
97.06559	1.9
99.04458	6.6
103.05478	1.4
105.01852	22.6
105.07021	15.3
107.08591	7.0
108.04479	1.0
109.02867	16.3
109.06530	2.1
113.05985	1.0
117.01839	1.6
119.08570	8.7
120.08070	1.2
121.10132	17.4
121.49356	0.9
123.08092	1.8
123.11691	100.0
124.12022	2.2
127.03906	26.5
127.07484	1.1
129.01840	1.8
137.05972	2.5
137.13231	6.5
145.04930	10.4
147.02934	1.5
147.11670	46.2
159.02946	4.6
159.09209	1.0
163.21748	0.9
165.12741	52.2
166.13179	1.2
174.19727	0.9
183.13789	23.5
189.03944	1.0
199.07730	0.9
201.14769	5.0
212.24738	0.8
213.03909	1.4
218.43178	0.9
231.04967	6.2
249.06065	1.6
252.14629	1.0
273.07590	1.5
466.21527	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2821
Annotation	Unknow
Peak:m/z	Relative Intensity
56.55428	0.7
70.84109	1.0
70.84444	1.3
91.05454	0.9
91.26066	1.0
93.16286	1.0
162.08482	0.8
174.24446	0.8
177.03790	0.8
247.10155	0.8
264.82028	0.8
310.20502	0.8
465.28223	100.0
466.28915	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	466.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	12.5
59.87365	1.8
69.03419	3.0
70.06566	4.6
71.01357	1.8
71.04984	81.1
71.67961	2.7
73.02898	4.8
75.04444	5.1
81.03391	2.2
82.29011	1.6
83.04971	6.0
84.04456	1.8
84.08113	5.5
85.02895	100.0
97.02888	3.0
109.02867	8.8
111.04432	3.1
120.08076	2.2
127.03911	2.3
129.05460	50.0
129.10236	3.4
137.99393	1.5
141.05444	11.5
145.04930	2.0
147.06508	21.3
153.05464	2.6
164.09183	5.0
177.05431	2.0
207.06470	5.5
213.74739	1.7
263.07397	1.9
269.10168	2.2
292.04724	2.9
368.04044	2.3
376.98523	1.8
466.06393	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.197
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.8
67.05500	1.6
69.03404	0.5
69.07052	1.0
70.06575	1.3
70.70834	0.9
70.71232	0.9
72.08154	0.5
78.38084	0.4
79.05484	1.3
81.07057	2.6
83.08604	0.5
84.08145	0.6
91.05482	1.7
92.05835	0.5
93.07031	1.3
95.08586	1.3
96.08909	0.5
98.98436	1.1
105.07047	1.0
107.08582	0.5
108.04482	0.7
109.06529	0.6
109.10160	0.9
119.08544	0.6
120.08949	0.5
121.10102	0.6
122.06037	0.7
132.08946	0.5
134.06012	0.9
135.09155	1.0
136.07556	0.6
138.05479	0.9
144.08015	1.0
147.11725	0.6
148.07538	0.8
157.10094	0.6
161.07127	1.4
163.08644	9.0
164.07082	1.0
172.07559	1.6
179.08105	0.8
182.08226	1.5
183.09189	1.2
185.10788	0.9
187.08754	0.8
189.10175	4.5
190.10872	0.6
197.07059	0.5
197.10730	2.1
198.09286	0.7
198.11423	0.8
199.08516	2.1
200.09302	1.2
204.10245	0.8
209.10774	0.8
210.07628	0.6
211.08640	3.3
212.09355	3.8
213.10164	3.5
215.11888	0.7
216.10225	2.2
222.09264	0.6
223.08609	0.7
224.09312	0.8
225.10233	6.8
226.10905	3.4
227.11826	3.4
230.11720	2.4
237.10252	1.7
238.11021	2.0
239.11774	5.1
240.12576	0.8
241.09801	0.6
241.13326	0.9
242.10406	1.0
245.10406	1.4
246.11153	0.7
251.11725	0.7
253.09659	1.2
253.13327	0.6
255.11415	0.9
258.11215	1.5
259.10840	1.7
267.11234	1.2
269.09119	0.6
270.10013	1.8
271.10687	3.9
272.11453	1.1
273.12323	0.6
276.12259	0.7
276.20480	0.9
279.11200	0.8
283.10867	1.3
284.11536	1.8
285.12308	9.8
286.10446	0.5
287.11777	0.8
288.12329	0.7
289.12964	0.6
290.13019	1.2
297.12283	5.5
301.13202	0.8
302.13403	0.8
303.14185	1.0
304.11676	12.0
305.12012	0.5
315.11200	1.2
315.14859	1.2
316.11584	0.9
316.14935	0.6
317.11786	1.7
318.12390	3.4
318.16101	1.5
319.13004	6.7
319.16519	0.7
320.13602	1.4
329.12744	1.3
330.13345	1.9
331.12903	2.5
332.13885	7.3
332.17496	0.9
333.14752	2.9
334.15497	1.0
343.12808	4.4
344.13550	1.0
345.14911	0.5
346.15515	3.6
347.16287	1.2
348.13879	0.6
360.17276	0.7
361.15222	1.6
362.15070	0.9
364.16394	1.3
371.13812	0.9
374.12259	0.5
375.13181	0.5
376.12808	0.7
378.14426	2.2
378.18604	0.7
388.16577	1.9
389.14880	4.7
390.14703	2.5
391.15204	6.0
392.15820	2.7
393.16739	2.0
403.16425	1.1
404.15433	1.4
404.19977	0.7
406.17566	13.7
406.22971	0.8
407.18076	0.8
421.17560	0.7
431.15991	0.7
448.18701	2.9
449.16592	2.5
451.17401	3.2
466.19687	100.0
467.19934	3.6
473.01276	0.5
487.50168	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2634
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.4
54.12218	1.6
54.27596	1.7
56.22982	1.6
57.07072	10.7
59.04985	5.1
62.98898	1.6
67.05484	4.3
69.07066	10.7
70.91055	1.8
70.91385	4.4
71.08628	9.9
71.12113	1.7
79.08092	1.7
81.07036	6.5
81.54021	1.8
83.01327	3.2
85.10165	5.4
89.06021	16.8
91.05461	1.8
93.07027	3.2
95.04951	4.4
99.11734	1.8
105.03387	52.0
107.08608	4.4
109.10107	2.6
119.08599	1.6
123.11702	19.6
133.08574	7.0
135.11681	6.6
137.02356	2.7
151.03874	5.7
165.05476	13.5
167.03424	2.8
177.11217	4.1
179.03372	71.6
195.02882	2.2
197.04430	49.3
221.11707	4.8
245.08018	4.2
257.08075	100.0
287.16315	3.8
295.09515	2.1
325.14355	7.0
379.18933	21.2
391.19101	6.8
429.08868	2.1
449.75500	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2634
Annotation	schweinfurthin G
Peak:m/z	Relative Intensity
53.03933	1.5
55.01874	1.4
55.05498	1.1
57.07048	2.2
66.69453	0.6
67.05486	3.1
69.07056	8.6
71.08630	1.7
79.05473	1.1
81.07041	1.5
83.01321	3.9
83.08545	0.9
84.40646	0.7
85.10161	1.4
89.06004	2.7
93.07034	3.6
95.04958	4.6
95.08569	1.7
97.10178	0.8
98.21448	2.4
105.03382	48.5
107.08569	3.5
109.02908	0.7
109.10146	0.9
123.04481	1.0
123.11681	5.2
133.08591	1.7
135.11693	7.0
137.02319	2.6
141.01791	4.2
151.03876	4.1
155.03357	1.8
165.05443	8.8
169.04991	1.0
179.03378	70.7
180.03745	1.2
197.04437	49.4
197.74388	0.9
198.04730	0.8
217.04778	0.9
219.10150	1.0
221.11711	1.5
245.08057	3.0
257.08066	100.0
258.08432	3.3
287.16342	3.8
295.09464	1.0
303.04880	1.0
319.04358	0.9
325.14322	11.0
360.46011	0.9
379.19019	18.8
380.19296	1.1
391.19043	4.0
397.20029	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2613
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.6
53.49013	1.0
55.01870	11.6
55.05239	1.4
55.05505	25.0
57.03430	12.9
57.06803	1.4
57.07069	17.6
66.86796	1.0
66.88090	1.1
67.05495	12.6
69.03398	1.2
69.07061	28.0
70.28212	5.3
71.08309	1.1
71.08627	12.8
73.02906	8.5
79.05473	6.9
80.38174	1.0
81.03408	1.4
81.07048	16.9
83.04974	1.3
83.08611	26.5
85.02883	1.7
85.10167	4.5
88.49005	1.1
91.05484	1.6
93.07027	9.9
95.08592	12.8
97.06494	3.9
97.10161	16.1
98.21403	1.5
98.98460	50.1
99.04443	1.2
101.10321	1.0
107.08572	4.7
109.02859	2.3
109.10155	8.1
110.03628	3.5
111.08086	2.0
111.11720	5.0
116.99499	1.7
121.10120	6.5
123.11712	2.2
127.03853	1.8
129.05449	4.0
131.04668	1.0
135.11699	5.5
136.99991	3.7
137.13234	1.5
140.01022	1.8
149.13278	1.8
155.01022	47.6
159.11617	1.1
191.00058	3.8
211.03630	1.5
219.21034	2.9
221.22484	1.2
227.19960	3.6
229.04674	2.3
237.22079	8.2
239.23796	2.8
241.74141	1.2
255.23082	1.2
275.20096	1.3
311.25760	100.0
312.26245	2.8
447.24902	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	465.2611
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03962	1.1
55.01870	9.7
55.05508	22.8
57.03432	10.5
57.07076	11.2
67.05499	10.9
69.07065	22.4
70.98125	3.5
71.08621	5.1
73.02905	6.5
74.30098	1.0
79.05489	5.4
81.07055	8.1
83.04974	2.0
83.08611	22.7
84.01508	1.0
85.10166	1.7
91.05457	1.4
93.07037	4.0
94.85396	1.1
95.08598	6.9
97.06522	2.3
97.10168	12.7
98.40606	1.1
98.98461	44.2
107.08565	3.1
109.10140	1.9
111.08098	2.2
111.11712	2.9
116.99552	1.1
121.10155	6.7
129.05402	2.3
135.11690	3.7
137.00008	2.5
149.13243	1.9
151.63033	1.1
155.01025	42.4
155.02307	2.1
162.59267	1.1
201.23705	1.0
211.03621	2.7
219.21136	1.7
229.04742	3.1
237.22108	8.1
311.25787	100.0
312.26175	2.3
324.83755	1.2
331.48398	1.0
391.22083	1.4
442.26886	1.1
447.25034	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	465.2609
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	10.2
55.05508	18.9
57.03430	8.7
57.07074	9.9
59.34285	1.4
61.14045	1.8
67.05502	12.9
69.07064	26.7
70.48959	6.6
71.08635	4.3
73.02911	5.4
79.05482	6.1
81.07070	9.6
83.08619	19.2
85.10162	2.1
89.51247	1.4
93.07032	5.6
95.08605	6.7
97.06507	3.3
97.10175	12.0
98.98454	46.1
107.08578	5.3
109.10126	2.6
111.11713	3.2
121.10136	7.8
123.11683	2.1
129.05444	2.6
131.08563	2.8
135.11678	5.3
137.00024	2.5
137.46484	1.8
149.13264	2.5
155.01022	40.3
164.10362	1.6
193.02490	2.2
229.04625	2.6
237.22153	8.9
250.53133	1.8
311.25769	100.0
447.25043	12.4
470.31436	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2478
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	9.4
55.01861	14.1
55.05511	36.2
67.05502	48.8
68.17952	4.1
68.79906	4.6
69.03396	9.3
69.07056	22.9
70.28166	14.6
70.28578	5.7
71.04981	4.9
79.05489	43.5
80.23781	4.1
81.03408	5.3
81.07057	51.4
83.04955	5.5
83.08592	14.2
85.02902	3.9
91.05475	45.8
93.07040	34.5
95.04948	12.2
95.08594	30.7
97.06506	5.0
97.10146	5.5
105.07014	32.3
107.04939	10.4
107.08566	20.9
109.02934	4.9
109.06504	8.4
109.10131	12.3
115.05445	15.0
117.07009	24.9
119.04948	6.5
119.08575	17.1
121.06499	6.7
121.10105	10.9
123.04418	5.0
123.08103	4.3
125.09667	7.0
128.06221	20.1
129.07011	30.8
131.04933	6.8
131.08566	20.8
133.06471	10.0
133.10107	12.2
135.04308	4.2
135.08043	9.3
141.01868	4.5
141.06943	13.6
142.06810	3.9
142.07712	20.5
143.04904	6.6
143.08571	27.1
144.05743	4.9
145.06413	22.8
145.10114	15.9
147.04422	7.1
147.07976	11.0
147.11752	6.4
149.02281	4.5
149.09596	8.1
149.13257	5.1
154.07813	4.3
155.08572	10.0
157.06456	11.9
157.10112	17.5
159.04362	12.9
159.08139	20.4
159.09207	4.4
159.11681	8.8
161.05930	12.5
164.58731	4.5
164.60236	4.6
165.05455	4.0
167.08574	11.1
169.06479	6.0
169.10144	10.2
171.04439	11.9
171.08072	20.6
171.11575	9.0
173.05923	21.7
173.09642	12.9
173.96109	4.9
175.03880	6.1
175.07533	15.9
175.11160	5.8
177.05513	7.0
177.09148	7.8
181.06577	7.4
181.10060	8.5
183.07967	9.7
183.11659	5.6
185.05910	6.0
185.09610	15.5
185.13217	5.7
187.03824	5.4
187.07454	22.8
187.11092	6.8
189.05446	18.4
191.06972	5.1
193.08519	4.7
195.08020	5.8
197.05878	7.9
197.09607	9.4
198.06606	4.7
199.03783	4.6
199.07536	18.2
199.11176	15.6
201.05435	9.1
201.09091	19.5
203.07037	31.8
203.10643	6.9
205.08517	5.5
211.07518	9.1
211.11200	11.3
213.09113	13.9
215.07182	7.1
215.10603	11.3
217.08575	17.4
217.12108	4.5
219.10031	6.4
225.09073	11.9
225.12889	4.8
227.10757	6.7
227.14186	4.8
229.08646	11.0
231.10150	28.3
233.11644	5.4
235.05843	5.5
239.10680	7.7
239.14137	9.1
241.08589	4.9
241.12291	7.5
243.10188	7.8
244.10945	5.4
245.11726	24.0
253.08762	4.6
253.12109	6.2
263.12799	5.0
268.41928	4.3
269.11804	5.8
271.13223	7.8
275.19980	5.1
287.12827	5.7
297.18558	6.8
305.13757	8.8
309.18448	12.3
311.19971	4.9
319.16116	3.9
325.17831	6.9
327.19653	21.8
327.96869	4.6
337.18134	23.3
343.18936	8.3
355.19037	62.5
367.19031	17.9
369.20566	23.9
373.20007	9.2
375.21594	6.2
379.18884	16.1
387.21664	100.0
397.20050	23.6
405.22742	17.9
415.21063	38.4
433.22272	20.6
447.23795	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2479
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30774	3.1
53.03925	5.7
55.01859	11.6
55.05501	29.8
57.03425	3.6
59.47988	4.2
59.83759	3.9
59.84064	3.3
67.05499	29.6
68.99791	4.3
69.03432	6.4
69.07078	18.7
70.50513	3.2
70.93379	11.6
71.13508	3.4
79.05486	31.3
81.03437	5.5
81.07050	51.9
83.05001	3.3
83.08609	6.3
83.48379	3.6
91.05473	41.4
93.07033	28.8
95.04967	11.9
95.08611	22.7
97.06506	5.5
103.05472	4.1
105.07034	31.6
107.04967	9.7
107.08567	13.6
108.50603	3.7
109.02864	4.0
109.06504	7.3
109.10153	6.0
115.05450	10.0
117.07023	22.4
119.04925	4.5
119.08550	21.7
121.06475	8.6
121.10143	10.1
123.04391	4.2
127.03909	6.1
128.06223	15.0
129.06987	21.6
131.04930	10.2
131.08589	19.4
133.06482	11.1
133.10104	11.6
135.04387	9.0
135.08069	6.8
135.11676	4.5
137.09641	3.9
141.06953	10.4
142.07787	12.3
143.04887	4.7
143.08540	19.6
145.06482	14.7
145.10107	16.1
147.04422	5.6
147.08040	6.6
147.11681	15.6
149.05957	6.3
149.09648	6.0
149.13261	4.1
153.05511	4.3
153.06966	4.6
154.07811	3.9
155.08542	12.9
157.06499	9.7
157.10121	15.7
158.07222	4.4
159.04402	12.3
159.08028	11.3
159.11641	6.2
161.05956	6.6
161.09599	6.4
163.07512	4.1
165.06984	6.4
167.08565	8.0
169.06453	7.4
169.10149	9.7
171.02928	4.1
171.04349	7.7
171.08063	16.5
171.11682	5.0
172.08884	7.1
172.25308	3.4
173.06027	18.7
173.09598	12.5
175.07532	13.8
177.09099	8.1
181.10063	6.9
183.08014	9.1
183.11627	8.7
184.05118	4.1
185.05980	9.5
185.09657	17.4
187.03931	7.6
187.07541	13.8
187.11139	7.1
189.03336	3.4
189.05432	17.1
189.09096	4.7
191.06953	8.9
193.08589	4.2
195.11906	5.0
197.09589	8.4
197.13365	4.4
199.07541	9.3
199.11121	7.3
201.05318	7.2
201.09120	14.0
201.12769	4.2
202.06073	4.3
203.07030	23.6
205.08516	8.5
211.07614	3.8
213.05559	5.3
213.09161	15.0
215.07016	6.6
215.10687	8.3
217.08569	21.4
225.09189	6.4
227.07047	5.0
227.10707	9.6
229.04926	5.9
229.08562	9.9
231.10123	19.8
239.10793	5.6
241.08713	4.5
241.12192	8.8
243.10175	8.6
245.11559	17.2
263.12808	7.6
267.10214	4.8
287.13071	4.3
297.18494	4.8
299.19897	4.3
309.18451	10.2
311.20258	4.7
315.19598	5.6
325.17822	8.6
327.19400	19.8
337.17880	20.3
343.19083	8.2
351.19290	4.5
355.18970	34.4
367.18958	7.2
369.20462	11.8
373.19946	6.3
379.19046	16.6
387.21609	100.0
388.22025	5.3
397.20129	18.5
405.22540	15.5
415.21021	25.8
429.22574	7.4
433.22113	13.3
447.23581	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	465.2331
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	3.0
55.05508	9.0
57.03423	6.7
57.30901	1.5
58.75508	1.4
59.04988	1.6
59.70954	1.4
61.02901	4.5
64.25507	1.5
67.05495	19.6
69.03416	4.5
69.07065	12.0
70.00788	8.9
70.06571	6.2
71.04985	4.0
72.08138	3.9
73.02901	2.5
73.15034	1.5
79.05471	12.2
81.03391	4.6
81.07050	53.9
83.04970	4.4
83.08600	6.1
85.02898	7.2
85.06536	3.1
86.09697	1.6
86.71223	1.3
91.03933	3.4
91.05470	17.6
93.07034	10.8
95.04951	4.2
95.08592	16.0
97.02850	3.6
97.06518	5.2
97.10164	3.0
98.21343	2.1
99.04442	3.1
99.08095	3.9
105.07030	24.0
107.04898	1.9
107.07576	1.4
107.08567	12.7
109.02864	2.8
109.06480	4.1
109.10149	6.0
110.07143	1.9
113.06013	2.0
119.08567	24.0
121.10143	18.1
123.08023	5.2
123.11687	17.2
125.09580	1.8
127.03902	2.6
129.06949	2.2
131.08546	3.7
133.10112	6.1
137.05994	1.6
137.09598	1.9
137.13217	2.4
145.10123	4.0
147.11667	51.9
148.12129	1.9
157.10136	4.0
159.11693	3.6
161.13306	1.8
165.12738	21.0
175.11205	3.1
183.13791	3.1
187.07527	2.2
193.12297	2.5
199.14864	1.6
203.03265	1.7
229.14398	7.8
253.13287	3.1
265.53638	1.4
267.15906	31.5
285.16949	100.0
286.17279	4.8
305.08063	4.8
306.08667	1.5
333.07568	2.9
363.08447	2.0
421.14725	6.1
447.10562	2.8
447.22525	2.2
465.13354	11.6
465.21237	11.5
465.28683	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	465.2245
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	3.2
55.01863	5.6
55.05507	18.5
57.03424	6.2
57.07067	2.9
61.02908	2.3
65.03929	3.8
67.05498	35.5
68.04979	1.9
69.03415	6.3
69.07059	19.3
70.06582	13.7
71.04976	5.6
71.59837	1.6
71.73129	2.4
72.08144	4.3
79.05485	40.1
81.03423	8.1
81.07049	100.0
82.07378	2.3
83.04977	4.4
83.08617	8.7
84.04505	2.0
85.02898	4.3
85.06542	3.2
91.05467	36.0
92.05776	2.4
93.07034	28.5
95.04959	19.3
95.06055	2.7
95.08595	29.0
97.02863	1.7
97.06518	8.3
97.10160	6.7
98.98457	88.4
99.08051	3.3
103.05450	1.9
105.03415	2.0
105.07017	36.7
107.04926	13.1
107.08570	18.4
107.25932	1.9
109.06513	26.2
109.10146	13.1
111.08041	3.7
114.10323	1.8
116.99491	3.4
117.07002	7.7
119.08568	25.9
121.06484	7.8
121.10112	15.2
123.08038	8.6
123.11704	6.6
125.09623	4.0
129.06992	5.7
131.08563	15.1
132.07996	1.9
133.10117	21.5
135.08066	5.4
135.11700	8.4
137.05942	3.7
137.09613	3.9
142.36421	1.6
143.08524	4.0
145.06485	2.6
145.10098	16.6
146.07013	2.0
147.08057	3.5
147.11702	14.7
148.07570	2.1
149.09659	4.1
149.13248	6.8
151.07510	3.6
151.11172	3.4
155.08482	2.5
157.10094	6.5
159.08029	3.1
159.11673	7.7
161.09566	4.5
161.13246	3.5
163.11168	7.4
165.09114	4.2
165.12733	5.0
169.10097	2.3
171.07961	2.2
171.11597	4.6
173.02083	17.2
173.09590	3.9
173.13191	3.9
175.11165	4.3
177.09064	2.0
177.12666	1.9
187.07486	6.3
187.11151	3.2
190.12265	3.8
193.12221	4.8
197.13213	2.0
201.09048	1.8
201.16356	2.6
207.13710	1.7
212.09346	2.7
217.95990	2.0
224.09447	2.6
225.10216	4.5
229.19533	3.8
239.11754	3.0
239.17732	2.9
247.20543	5.6
254.13919	2.0
257.18906	6.6
271.10703	2.0
273.18054	2.4
275.20044	65.3
276.20337	3.0
285.12088	3.1
293.21097	15.3
304.11740	3.9
315.04974	2.4
318.12335	3.5
319.13000	3.6
331.13077	2.1
332.13852	6.0
333.14401	3.9
346.15152	4.2
349.23676	3.7
373.23410	2.2
378.14203	2.7
389.14917	4.0
391.15219	3.9
392.16089	2.6
405.15311	2.0
406.17392	3.2
419.20529	2.4
429.19305	1.8
433.19797	2.1
447.20160	3.1
447.27386	2.7
450.16251	2.2
465.18655	20.5
465.30566	21.9
466.19598	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	465.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05014	1.1
57.03422	1.1
59.89553	0.9
61.02930	1.2
69.03419	4.2
70.06581	1.4
70.27445	2.3
70.27838	2.0
72.93829	1.0
73.02933	1.0
81.03418	2.7
85.02915	8.4
97.02869	2.6
125.53262	1.0
137.02322	2.7
147.04364	2.2
152.10727	1.0
161.32280	1.0
163.03888	1.6
165.01886	1.8
181.08871	1.2
181.13336	1.4
183.09174	1.9
184.11180	1.7
194.09659	2.2
195.09181	2.9
196.09918	11.7
196.11475	1.6
197.10728	2.6
205.07660	1.4
206.08391	23.2
207.08704	1.6
209.07098	2.7
209.10767	1.5
210.11476	2.4
211.08931	1.3
211.12285	12.6
220.09914	3.7
221.10719	10.9
223.08626	7.1
224.09364	8.3
225.10228	1.7
226.10744	0.9
227.08224	4.6
234.99092	1.3
237.10231	4.7
238.10989	9.8
239.08139	2.0
239.09096	1.3
239.11774	29.5
241.09735	3.0
252.08963	2.3
254.10535	2.5
257.12845	3.1
267.11282	64.5
268.11615	3.1
271.10764	1.8
272.11575	6.3
285.12323	75.5
286.12656	3.0
291.15228	1.2
303.05176	8.4
303.13376	100.0
304.13684	3.7
315.04822	7.4
345.06039	5.4
364.19690	1.0
369.06055	3.3
399.06995	2.8
411.07001	1.6
429.08099	2.4
447.09131	2.1
447.17789	1.5
465.19028	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.7
55.01859	2.7
55.05492	2.3
57.03424	1.8
66.07082	1.2
67.05490	2.9
68.99780	2.1
69.03414	5.2
69.07054	1.6
69.71231	1.3
70.06572	5.2
70.68777	1.3
71.04980	5.6
71.74467	2.5
72.08136	3.1
79.05472	2.0
81.03402	7.2
81.07042	3.5
83.04990	1.5
84.08130	4.2
85.02902	13.2
86.09688	4.9
91.05447	2.7
93.07028	1.9
94.06516	1.8
95.04942	2.3
95.08598	2.0
97.02866	3.9
97.06504	1.6
103.03882	1.5
105.07006	1.7
107.08589	2.5
108.04482	1.3
109.02843	3.0
110.07213	1.6
118.06490	1.7
119.08559	2.7
120.08086	4.6
121.02892	1.6
121.06499	2.0
122.06047	1.7
123.04430	2.8
127.03970	2.2
132.08057	2.2
133.02855	6.2
133.10124	1.9
134.06024	4.2
135.04456	2.5
135.08003	1.5
136.07558	3.3
137.02351	13.0
138.03006	1.4
138.05408	1.3
140.06999	1.7
148.07558	8.0
150.03139	2.2
151.03931	10.3
152.07066	2.8
153.01802	11.7
156.08049	1.5
158.06122	1.4
160.07492	2.0
161.07162	1.5
163.03880	2.5
164.07019	1.6
165.01834	6.6
166.08612	1.6
167.03391	4.4
168.06596	3.0
169.01338	1.5
172.07510	2.5
174.07880	1.7
175.08633	2.3
176.07132	1.5
177.01852	3.9
177.05405	2.2
178.08652	1.5
179.03365	3.1
181.01367	2.7
181.08789	1.5
183.02899	4.7
184.09883	1.4
187.12180	1.5
188.06960	1.7
190.08615	1.4
191.03458	4.5
193.12212	2.0
194.08092	4.7
195.02867	9.4
199.02371	4.3
199.08687	3.2
200.03107	1.5
200.09380	2.6
201.10271	6.4
202.08696	1.8
203.03293	2.0
205.04973	4.1
207.02998	1.8
210.09045	1.7
211.02255	1.7
213.10201	6.1
214.08620	3.3
215.08070	2.3
215.11671	7.5
217.04959	1.7
219.02740	1.5
221.04462	1.9
225.10182	1.9
226.08609	2.6
226.10742	1.7
227.08170	1.6
227.11774	5.5
228.12538	2.7
229.04965	1.6
229.09717	3.7
229.13181	2.5
232.09572	1.8
239.11697	4.7
240.10283	2.0
241.09663	5.1
242.10406	1.9
243.08739	14.3
243.11281	5.7
244.09645	7.5
253.13261	3.1
255.11226	14.0
257.12857	4.3
259.06018	2.0
259.10751	1.7
261.03796	1.7
267.11227	3.2
267.19717	2.0
269.09531	2.3
269.12823	9.3
270.13504	1.9
271.10815	1.4
273.12317	5.2
275.13907	2.8
281.12808	3.9
283.10803	3.6
285.12311	5.6
287.10458	2.2
287.13849	6.8
289.15631	1.4
297.12384	8.2
297.15320	1.5
298.13028	2.5
299.05429	5.5
299.13855	16.7
301.11819	4.7
302.04150	5.7
302.12531	3.7
303.04932	28.1
303.13730	7.5
309.12433	2.5
311.13937	1.8
313.03452	3.0
313.06815	2.5
315.04956	74.1
315.13278	35.8
316.05719	17.5
316.14120	20.5
317.14835	5.1
325.11652	1.9
327.04959	7.9
329.06589	8.4
329.14893	2.0
339.04886	2.8
340.05792	1.9
341.06573	10.0
343.12808	3.6
345.05997	74.8
345.14407	3.2
346.06363	4.1
355.04544	1.6
355.08215	12.2
355.16516	3.5
357.05881	2.6
357.14462	2.9
365.06604	3.0
365.14856	3.9
369.05988	27.6
369.13574	1.4
370.06403	2.1
373.13727	2.8
375.06784	2.1
375.15533	15.0
378.15427	8.4
379.15933	2.5
381.06039	6.0
381.14261	2.6
383.07620	5.0
383.16089	3.8
387.15649	4.1
393.05841	6.1
393.14215	5.0
399.07187	17.0
399.15436	19.1
401.17206	2.1
411.06979	14.9
411.15308	11.7
419.17844	2.1
429.08087	21.0
429.16473	46.1
430.16779	2.0
447.09152	28.7
447.17523	91.1
448.18042	3.2
465.10266	36.9
465.18478	100.0
466.10110	2.1
466.19077	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	465.1023
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94450	0.5
53.03938	0.7
55.01871	1.0
57.96345	0.5
58.67761	0.5
66.31038	0.5
68.99790	1.0
69.45191	4.8
69.45602	0.9
73.02885	0.7
81.03396	1.2
84.83718	0.6
85.02896	2.9
97.02869	0.9
98.21541	0.6
105.03350	0.6
109.02837	1.7
121.02878	3.0
123.04408	1.3
125.02331	0.5
128.02577	0.5
133.02832	4.0
135.04416	1.0
137.02325	1.5
141.01811	1.9
147.04401	1.0
149.02341	1.1
150.03102	1.5
150.10782	0.5
151.03912	6.9
153.01810	9.1
159.04459	0.5
161.02394	0.6
163.03889	2.9
165.01826	17.6
167.03412	5.5
177.01830	6.6
177.05438	2.3
179.03384	1.4
181.01323	0.7
183.02884	8.2
184.03703	0.5
187.03856	1.8
189.01813	1.0
190.99675	0.8
191.03386	8.5
195.02866	7.3
203.03404	1.4
205.04950	4.3
215.03438	0.7
219.02838	0.7
231.02794	1.2
233.04413	1.0
243.02896	1.2
250.69168	0.5
261.03860	3.0
271.05988	0.7
299.05453	5.1
302.04129	3.4
303.04947	6.2
303.13159	0.6
311.05542	1.2
313.06973	4.1
315.04956	100.0
316.05533	9.7
317.05832	0.6
327.04916	6.2
327.08585	1.9
328.05402	0.8
329.03055	0.6
329.06470	2.6
337.06955	1.5
339.04898	1.9
340.05792	1.4
341.02972	1.2
341.06516	16.7
342.06989	0.7
343.04584	0.6
345.06009	67.0
346.06366	3.5
353.06635	2.8
355.08084	15.3
356.08563	1.2
357.05927	0.6
365.06433	3.2
369.06021	41.3
370.06537	1.9
381.05978	11.6
382.06262	0.6
383.07590	3.3
393.05939	7.7
399.07062	24.3
400.07428	1.0
411.07056	22.9
412.07367	1.5
429.08136	25.8
430.08502	1.5
447.09167	15.6
447.16428	0.6
447.18024	0.7
448.09299	1.2
465.10229	4.9
465.18890	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1025
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57352	1.3
55.01856	2.2
57.03415	1.9
60.67134	1.2
67.05499	1.5
68.99786	2.4
69.03429	2.8
69.43251	14.9
69.43581	2.1
70.06580	4.1
72.08133	1.6
72.10268	1.1
79.05488	1.7
81.03400	3.1
83.01331	4.0
84.08124	1.4
85.02885	3.9
91.05460	1.4
97.02872	1.5
107.04951	1.8
109.02871	3.1
120.08109	2.5
123.04450	2.4
133.02873	2.8
134.06036	1.9
135.04402	5.0
137.02338	25.8
139.21628	1.3
140.07074	1.4
148.07567	2.6
148.23955	1.4
150.03055	1.6
151.03891	9.1
153.01842	7.8
161.02332	3.1
163.03877	2.6
165.01836	5.8
167.03473	3.3
168.00571	1.7
169.01413	1.8
175.03920	1.7
176.07121	2.6
177.01805	3.1
179.03426	4.4
181.01309	8.0
182.02074	1.2
183.02901	6.6
184.34102	1.3
187.14439	1.2
191.03377	3.1
193.04996	1.4
193.12251	1.3
195.02902	6.2
198.09151	2.0
199.02380	9.3
199.36261	1.3
201.10199	2.6
203.03387	1.5
205.05023	2.5
211.02390	4.3
212.10703	1.6
213.10172	1.9
215.11794	1.9
219.02834	1.9
221.04378	1.6
225.10085	1.6
227.11819	3.7
231.02962	1.5
242.10466	1.4
243.11270	2.9
244.09831	1.3
255.11284	4.9
257.04459	2.0
261.03790	1.7
269.12802	2.4
271.05783	1.6
271.14221	1.3
285.03848	2.0
287.87033	1.3
297.12286	3.5
299.05518	7.4
299.13861	6.9
302.04181	12.3
302.12595	1.7
303.05026	7.9
303.12262	4.3
313.03342	5.3
313.06937	3.6
315.04974	93.2
315.13019	11.3
316.05640	13.3
316.14053	8.1
317.14636	2.3
323.13602	2.1
327.05011	10.8
329.06543	3.9
337.06833	1.5
340.05872	2.4
341.06503	14.9
343.04428	1.6
345.06027	100.0
346.06482	3.4
353.06665	1.5
355.08151	11.8
365.06445	2.7
369.06039	41.7
375.15381	5.4
381.06210	9.3
383.07574	4.3
393.06067	9.2
399.07089	25.3
399.15076	6.0
411.07065	20.8
411.15637	4.0
429.08173	27.1
429.16565	14.1
430.08374	2.7
447.09158	25.8
447.17554	29.1
465.10239	25.8
465.18347	43.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1026
Annotation	Isoaffinetin
Peak:m/z	Relative Intensity
54.53376	0.8
56.01886	0.8
57.03415	1.2
63.19508	0.7
64.80946	0.8
66.68737	0.9
68.33752	0.9
69.15511	0.7
71.18669	1.1
71.19002	1.5
81.03423	1.7
81.74810	0.7
85.02888	4.2
92.48114	0.8
95.61584	1.0
107.04956	0.9
109.02878	2.5
121.02860	3.2
123.04403	4.7
125.02335	0.9
133.02859	3.7
141.01846	2.1
145.02753	1.0
149.02347	1.9
150.03114	2.8
151.03903	10.8
153.01816	9.8
163.03885	4.5
165.01825	21.5
167.03397	4.6
177.01817	5.7
177.05444	1.7
179.03343	1.3
183.02878	7.8
187.04022	1.5
191.03357	9.3
195.01199	1.5
195.02876	11.9
203.03371	1.3
205.04912	5.5
207.02797	1.2
208.63403	0.9
215.03441	1.6
219.02821	1.2
231.02882	3.1
243.02832	2.1
261.03937	4.7
281.07834	1.0
299.05518	3.7
302.04251	2.3
303.04910	5.7
311.05673	1.1
313.07092	6.0
315.04965	100.0
316.05438	6.6
327.05020	6.6
327.08536	1.9
329.03033	1.0
329.06552	3.6
337.07092	1.6
339.05093	2.3
340.05881	1.7
341.02844	1.7
341.06522	16.6
343.04614	0.9
345.06030	68.0
346.06448	4.1
353.06812	2.0
355.08124	14.9
365.06436	2.9
369.06049	46.9
370.06274	1.7
381.06122	11.5
382.06543	1.1
383.07559	3.5
393.05981	8.4
399.07059	25.8
400.07187	1.2
411.07065	24.9
412.07648	0.9
429.08118	29.4
430.08401	1.7
447.09250	17.5
465.10321	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	465.1025
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27924	0.1
53.03929	0.5
55.01862	0.8
57.03426	1.0
61.02923	1.7
65.03931	0.4
67.01861	0.1
67.05503	0.3
68.99773	0.8
69.03043	0.2
69.03422	3.8
70.06573	0.6
70.83155	0.4
71.04969	0.6
72.08135	0.2
73.02895	0.5
77.62354	0.1
81.03410	2.3
81.07030	0.4
83.01341	0.2
84.04493	0.2
84.08115	0.4
85.02895	10.6
86.09707	0.7
87.04456	0.4
91.03926	0.6
91.05465	0.3
91.14454	0.1
93.03405	0.2
93.06988	0.2
95.04945	0.5
97.02882	3.7
99.04441	0.7
99.61683	0.1
101.10772	0.1
103.03922	0.1
105.07024	0.2
107.04931	0.3
107.08572	0.2
108.08107	0.1
109.02854	1.5
111.00780	1.1
115.05446	0.2
117.06964	0.2
119.08593	0.2
120.08084	0.9
121.02863	1.3
123.04391	0.4
127.03899	2.2
127.64605	0.2
129.06940	0.2
130.98666	0.1
131.04909	0.2
132.08058	0.2
133.06444	0.2
133.10126	0.2
135.04419	0.4
137.01285	0.3
137.02324	4.4
137.03345	0.2
137.05890	0.2
145.04933	1.5
145.06348	0.3
148.07550	1.4
149.02304	0.6
153.01810	5.5
155.04877	0.3
155.06038	0.1
161.05936	0.5
162.09123	0.2
163.03873	0.6
164.07030	0.2
165.01820	2.8
166.02553	0.4
173.05969	0.8
174.09219	0.1
174.13312	0.1
176.07022	0.5
177.01874	0.2
179.03426	0.2
181.08534	0.2
182.08922	0.1
183.02878	1.1
183.04390	0.3
187.03874	0.3
191.03380	0.3
191.06956	0.2
195.02898	0.4
201.05424	2.7
205.04895	0.3
207.02859	0.2
211.03815	0.2
211.08572	0.1
215.03378	0.2
219.06519	0.3
225.06447	0.2
227.08128	0.2
228.04257	0.4
229.04926	5.8
229.13274	0.8
230.05275	0.3
239.03438	0.2
243.11296	0.3
247.05992	0.8
253.13373	0.1
255.11304	0.2
257.04419	3.1
257.12814	2.1
274.04712	0.9
275.05426	0.3
278.10178	0.7
280.11703	1.1
285.03958	1.6
285.08667	0.9
285.12317	1.0
296.11191	0.5
298.12845	0.2
299.05811	0.2
303.04950	100.0
304.05283	3.0
315.04968	0.9
327.04922	0.2
341.06857	0.2
345.05960	0.7
369.06033	0.3
399.07254	0.2
411.06906	0.2
429.08029	0.4
447.09354	0.3
447.17719	0.4
465.10867	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1022
Annotation	Quercetin-3-O-beta-D-galactoside
Peak:m/z	Relative Intensity
51.04914	0.4
53.03948	0.6
53.87096	0.4
54.66033	0.4
55.01861	0.7
56.80592	0.4
57.03419	1.0
58.75138	0.4
61.02919	2.1
65.54356	0.4
67.05476	0.5
68.99799	0.6
69.03418	3.7
70.06588	2.1
70.91458	0.5
70.91799	0.8
71.04971	0.5
72.08134	0.7
73.02917	0.4
78.83237	0.4
79.05498	0.6
81.03410	2.5
81.03809	0.4
81.07050	0.5
82.33561	0.3
83.06116	0.6
84.04442	0.4
85.02903	9.4
85.06544	0.4
86.09682	1.3
91.03934	0.8
91.05451	0.8
93.07016	0.7
95.04945	0.7
97.02884	3.5
98.09713	0.7
99.04412	0.5
100.11240	0.6
107.08545	0.4
109.02863	2.0
111.00792	0.6
120.08098	1.1
121.02832	1.5
127.03900	2.3
136.07545	0.6
137.02362	3.7
145.04912	1.4
148.07643	0.4
149.02339	0.5
153.01797	4.2
163.03981	0.5
165.01813	2.5
166.02679	0.6
173.05969	0.7
178.08540	0.4
181.10706	0.4
182.15466	0.4
183.02872	1.0
187.03993	0.4
195.02876	0.5
201.05528	1.8
203.03389	0.5
210.14876	0.5
218.93011	0.4
219.06732	0.5
220.65196	0.5
229.04916	5.0
238.16055	1.3
238.66200	1.1
247.06142	0.8
257.04486	3.4
257.12833	0.8
267.19489	0.6
274.04755	1.1
285.03931	1.3
286.04517	0.4
298.12631	0.4
303.04968	100.0
304.05243	3.3
315.04816	1.8
321.07556	0.6
324.21606	0.9
333.07504	0.8
341.06754	0.6
345.06308	0.8
347.09039	0.5
349.07169	0.6
351.08606	0.6
369.05707	0.5
375.08734	0.8
411.06952	0.8
429.08203	1.1
447.10922	2.2
465.11441	2.6
465.17819	1.7
465.29126	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.102
Annotation	Isoaffinetin
Peak:m/z	Relative Intensity
55.01849	1.8
61.02891	1.7
67.05473	1.7
68.49605	1.2
69.03429	2.0
69.76810	9.6
70.06573	4.3
72.08159	3.5
79.05497	1.9
81.03414	3.9
83.01339	2.4
84.08158	1.9
84.71076	1.5
85.02890	4.3
86.09692	10.3
88.81244	1.2
89.87596	1.3
97.02879	2.2
103.03896	1.8
107.04932	2.1
109.02897	3.5
109.13491	1.5
118.90600	1.4
120.08090	21.2
121.02879	4.1
123.04418	1.9
128.07048	2.9
133.02876	1.8
135.04420	2.9
137.02325	26.1
137.03363	2.9
141.01741	2.1
147.04379	1.8
148.07571	6.1
149.02342	1.7
151.03911	2.6
153.01804	6.3
161.02318	2.2
163.03944	3.7
165.01831	8.9
167.03403	2.7
168.77805	1.4
169.01311	1.4
175.03883	2.3
176.07057	2.6
177.01862	1.6
179.03389	2.6
181.01323	5.6
183.02911	8.1
185.12846	2.2
189.01794	2.4
191.03328	3.1
195.02893	4.3
199.02370	5.5
203.03429	1.6
207.02939	1.6
211.02304	2.2
221.04469	1.7
233.04556	1.7
241.04922	2.3
243.06302	1.5
245.04398	1.6
247.06046	1.8
251.32861	1.4
253.05206	1.9
257.04388	2.7
261.03864	2.2
267.06461	2.7
269.04480	4.3
271.06009	6.1
277.03506	1.6
278.10376	2.2
281.04465	1.7
281.11304	5.0
285.04031	2.8
285.12439	2.3
287.05539	5.8
295.06000	2.9
297.04028	2.1
299.05441	13.7
301.07108	1.7
302.04169	5.3
303.04971	56.7
304.05408	2.2
311.05258	2.7
313.03448	4.2
313.07080	6.0
315.04950	100.0
316.05725	8.1
317.06549	8.4
323.05573	1.7
325.06882	1.9
327.05042	10.6
327.08365	1.9
329.06595	4.0
337.06961	2.8
339.05069	2.2
340.05704	2.3
341.06494	20.3
345.06003	93.4
346.06293	2.0
353.06458	3.2
355.08032	10.9
365.06485	3.9
369.06018	53.0
381.06052	13.2
383.07532	3.3
393.06033	12.5
399.07104	29.7
411.07065	27.7
429.08163	30.0
447.09073	13.1
465.10355	6.2
465.23679	8.4
467.92383	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.2389
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03946	0.4
55.05501	0.5
56.05029	7.7
57.03442	0.6
58.06589	5.6
60.04508	0.9
61.01146	2.9
66.87725	0.3
68.05016	0.8
69.03414	1.2
69.07053	1.3
69.82159	0.7
69.82567	2.1
70.06581	11.1
71.04984	0.5
72.08146	0.7
73.02927	0.5
73.31468	0.3
74.02432	0.8
74.06065	0.4
76.55583	0.4
77.47120	0.3
77.60017	0.4
82.06564	1.3
84.04498	0.8
84.08131	100.0
85.02881	1.9
85.08470	0.8
86.09693	14.0
87.05582	4.0
88.03978	0.5
95.04958	0.5
96.08122	1.4
96.37364	0.3
97.02882	0.5
98.02451	0.3
98.06079	0.6
100.07589	2.0
104.05315	16.3
104.06013	0.9
106.06539	1.2
106.51025	0.3
107.04986	0.4
109.02845	0.4
109.07632	1.5
110.06034	0.5
110.07140	1.0
110.09689	1.8
112.07565	0.4
116.04953	5.3
120.08078	0.8
122.09602	0.5
124.07577	0.8
127.03907	1.2
127.12299	15.5
128.07114	0.4
129.05521	0.4
129.10208	0.6
130.08635	0.8
133.06059	11.0
134.09633	0.6
135.04333	0.4
137.10689	2.7
138.09082	0.4
142.08574	2.3
143.08136	7.5
145.04979	0.6
147.04408	0.5
152.10730	1.1
159.09230	0.5
164.36110	0.4
168.08356	0.6
168.10233	1.2
169.13350	0.5
170.11751	3.5
173.12799	1.9
183.11349	1.0
187.14439	1.3
191.08488	2.5
198.27621	0.4
201.12311	2.6
212.07486	0.6
219.08011	1.6
226.02628	0.3
237.97989	0.4
247.07480	0.8
264.10123	6.6
271.12924	0.7
286.12589	0.4
294.58542	0.4
309.61487	1.7
310.11621	0.5
313.13998	0.8
314.15369	2.9
331.18436	0.9
341.17133	2.7
351.13281	1.9
359.24252	0.5
390.64343	0.6
407.18073	1.1
419.18237	1.1
447.21191	3.7
464.23886	70.3
465.24200	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	464.2172
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05031	40.1
57.03433	0.8
60.04528	5.5
61.01142	20.5
61.02917	0.8
69.03416	2.5
69.07068	8.1
70.02979	1.3
70.06588	5.5
71.72005	1.2
72.08162	2.1
74.02419	4.7
74.06068	1.8
74.93698	0.8
81.03379	1.3
82.06567	2.1
84.08129	15.5
85.02431	0.8
85.02895	4.1
86.06071	1.2
86.09698	84.4
87.05588	25.5
87.06068	0.7
87.09953	1.2
88.04025	2.3
91.05473	1.7
95.04949	1.2
97.02891	1.7
98.06056	3.5
98.79141	0.8
103.20720	1.0
104.05316	100.0
109.02885	1.2
113.07185	1.2
116.03429	2.9
116.04996	1.2
116.07093	2.3
119.04985	1.1
120.08035	1.4
121.02875	1.4
123.04429	1.1
126.05546	1.0
127.03914	1.9
127.12295	2.2
132.08098	0.8
133.06076	61.7
137.02373	4.1
143.08147	39.7
144.08344	1.4
147.04393	2.5
151.03893	1.6
153.01794	1.8
155.11818	1.3
163.03926	1.0
165.01805	2.2
173.07410	1.2
173.12836	8.5
177.01875	1.0
183.02866	1.2
183.11319	4.9
191.03612	1.1
191.08490	15.7
199.07169	1.3
201.06969	1.4
201.12328	15.0
216.09723	1.1
219.07990	13.0
239.11763	1.4
247.07515	4.6
257.04453	1.9
264.10110	46.8
267.11404	2.9
269.13168	1.5
285.04004	1.3
285.12323	2.3
287.14322	1.6
302.04141	2.4
302.10364	1.5
303.04956	15.2
303.13281	3.5
314.15295	13.4
315.04950	16.2
316.05872	1.4
316.09482	1.9
322.93454	1.0
327.04919	1.3
332.16428	2.1
341.06580	1.9
345.06012	11.8
346.23712	1.0
351.13376	9.7
355.08093	2.6
369.06024	5.5
381.06320	1.4
393.05994	1.2
399.06989	4.0
411.07159	2.9
429.08127	2.6
446.20529	1.3
447.09149	3.4
464.24060	12.2
465.10217	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.0
55.01862	2.2
55.05509	2.8
56.05024	3.1
56.27444	1.0
57.03437	9.3
58.06605	1.3
60.04513	1.4
61.02917	2.4
67.05492	1.2
69.03418	5.8
70.06586	23.2
70.45031	4.6
71.04985	63.0
72.08150	14.2
73.02907	3.5
74.06065	1.3
75.04462	3.9
79.05458	1.2
81.03420	4.2
83.04974	8.5
83.06080	2.1
84.04510	6.5
84.08132	42.6
85.02896	100.0
86.09700	7.8
87.00806	2.9
87.04449	2.6
87.05546	1.3
88.03981	1.5
91.05459	2.8
93.07030	2.5
95.04944	2.0
97.02861	7.3
98.20753	1.4
99.04446	2.2
100.07642	1.3
101.07115	1.5
103.05495	2.8
104.05308	2.5
106.06580	1.7
107.04929	2.8
109.02872	3.7
110.07149	8.6
111.04440	6.1
116.04948	2.8
120.08096	7.2
121.06499	10.7
124.07592	1.7
127.03933	7.0
127.12322	4.1
129.05470	42.8
129.10223	3.5
130.08626	1.8
131.04924	2.7
134.06041	1.4
135.07968	1.7
136.07585	1.6
143.11792	4.3
145.04944	6.1
145.06459	1.9
147.06512	16.5
148.05118	1.8
152.07040	5.2
159.02803	1.4
163.07568	2.6
164.09196	5.7
170.11731	2.2
181.08589	13.3
185.09227	1.5
187.07538	4.1
195.10286	1.1
199.09604	8.8
205.08601	4.9
217.87518	1.3
223.09586	2.7
247.09502	2.5
255.08688	1.5
261.11169	1.3
265.10779	1.9
267.12204	2.6
273.09726	2.1
303.13290	2.3
307.11755	2.1
309.11862	1.8
370.14120	1.2
447.21210	1.9
464.23877	23.1
464.29605	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62525	1.0
55.05506	1.2
57.03435	9.9
58.08529	0.8
60.04494	1.2
61.02913	1.1
69.03424	2.3
69.97327	5.0
70.06577	2.6
71.04984	75.6
73.02917	1.2
75.04464	4.9
79.05466	1.0
83.04974	9.9
84.08133	2.6
85.02898	100.0
86.06048	1.0
86.09711	1.9
87.04448	1.8
95.04946	2.4
95.90383	1.0
97.02892	3.4
98.20773	1.5
103.03896	0.9
110.07141	0.9
111.04445	4.5
121.02829	5.6
127.03906	3.3
129.05466	42.5
129.10194	1.2
139.03886	9.2
143.29962	1.1
145.04918	1.6
147.04440	1.4
147.06500	17.3
151.08583	1.7
164.09186	3.0
249.07480	2.2
255.08568	1.8
267.08780	1.6
273.09705	1.4
451.81262	1.0
464.24231	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.1656
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05029	20.7
59.89342	0.8
67.82535	0.7
69.03416	4.3
69.78553	2.1
69.78979	4.5
70.06570	3.4
72.08146	1.4
73.02901	1.2
81.03417	3.9
83.06095	100.0
84.04498	1.3
84.08122	2.6
85.02899	9.6
86.03261	0.9
86.09715	2.4
87.00821	3.2
97.02888	7.9
99.04452	2.0
101.07149	1.4
105.01847	6.2
109.02884	3.3
116.04969	1.7
120.08101	1.9
127.03907	10.2
140.93967	0.8
145.04930	6.4
158.06006	1.9
159.02878	1.8
176.07101	1.4
189.08719	0.9
200.04800	0.8
202.66792	0.8
213.03906	1.0
229.05016	2.1
231.04958	1.9
303.04977	17.1
389.24246	0.9
422.69339	0.9
438.90210	0.9
464.17331	1.3
464.23810	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.1661
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24502	0.9
55.01844	1.0
56.05031	18.3
57.03427	1.1
57.14400	0.8
59.06120	1.7
69.03426	4.7
70.06592	5.8
71.05001	1.3
71.19040	0.8
71.63688	0.9
71.75070	1.1
72.08127	1.1
73.02937	0.8
73.54862	0.9
79.05486	1.0
81.03409	2.9
83.06095	100.0
84.04485	1.4
84.06436	1.0
84.08147	6.2
84.09023	0.8
85.02907	9.5
86.09697	5.9
87.00820	2.8
97.02901	6.0
99.04443	1.8
101.07139	2.7
103.05437	0.9
105.01860	5.9
109.02890	3.0
110.07205	1.6
116.05013	1.7
118.96843	0.8
120.08095	4.7
123.16154	0.8
127.03909	8.0
129.10307	1.4
131.04967	1.9
132.26105	0.8
132.91965	0.9
134.05910	0.9
137.02353	1.6
145.04947	5.8
147.02927	0.9
148.94667	0.8
151.03795	1.2
158.06046	3.2
159.02904	1.9
231.05000	1.5
303.04974	4.3
310.04703	1.2
311.05594	1.0
313.07318	1.0
323.05499	2.5
324.06247	1.1
327.49643	0.9
446.08542	2.8
461.56528	1.0
464.09625	4.3
464.24200	1.9
465.10925	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.378
Annotation	Sarcophyton polyhydroxysterol
Peak:m/z	Relative Intensity
55.05511	16.5
57.07074	32.2
64.66514	1.6
67.05489	7.3
69.07066	24.2
70.65037	5.5
71.08304	2.1
71.08632	20.7
79.05495	4.9
81.07048	17.2
83.08611	12.9
85.10168	12.6
91.05461	4.9
93.07024	5.8
95.08598	14.9
97.06534	3.4
97.10133	8.9
99.04433	4.4
99.08093	1.9
105.07018	7.2
107.04962	2.0
107.08565	6.1
109.06511	12.0
109.10143	6.7
111.08047	2.8
111.11711	4.7
119.08586	5.1
121.06493	2.3
121.10148	5.0
123.08073	10.6
125.05979	13.5
125.09576	2.3
125.13224	2.3
127.07551	35.9
131.08563	3.0
133.10139	2.1
135.08031	3.0
135.11693	3.4
137.05984	3.6
137.09612	2.8
139.07533	100.0
147.11638	2.3
149.06001	3.7
149.13248	1.8
151.07516	6.6
151.91122	1.9
158.32106	1.8
161.09607	2.0
165.09096	2.8
167.07033	2.7
169.08562	2.0
177.09099	12.9
185.13300	1.7
191.10748	1.6
229.81505	1.8
249.14880	2.0
301.28790	4.9
319.29987	9.7
347.33115	15.0
361.30801	1.9
373.30991	3.7
399.36627	2.1
403.35556	3.0
417.37268	13.0
427.35760	3.4
445.36755	34.9
463.37799	26.3
464.38034	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3779
Annotation	MART-10
Peak:m/z	Relative Intensity
55.05495	1.4
57.07063	1.9
64.19193	1.3
67.05498	3.6
69.07079	1.9
69.40128	10.6
69.40537	2.8
80.58427	1.1
81.07040	4.6
93.07009	1.7
95.08591	2.2
102.89378	1.1
109.10170	6.1
119.08550	1.5
136.08795	1.7
137.09659	10.7
164.08308	4.3
165.09111	100.0
166.09401	10.7
205.12152	2.4
287.34787	1.2
330.71503	1.4
427.35303	5.2
445.36328	5.5
463.37320	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	463.3779
Annotation	Sarcophyton polyhydroxysterol
Peak:m/z	Relative Intensity
55.05496	13.8
56.74149	7.7
57.01731	7.6
57.07080	37.2
57.07310	7.8
65.87006	7.5
69.07059	38.9
71.08614	26.2
71.19243	15.8
81.07034	18.9
83.08640	15.8
85.10175	18.7
95.08562	15.0
97.10143	12.0
99.04528	8.1
99.09589	7.6
109.06503	13.5
121.10132	9.8
121.79539	6.7
123.08037	14.8
125.05977	17.1
127.07522	40.1
129.18039	7.0
133.10178	7.5
137.06039	8.1
139.07520	100.0
143.14040	8.3
177.09065	17.8
202.42517	7.8
314.16019	8.4
319.30118	11.0
347.33102	16.1
417.37366	21.7
445.36746	70.3
463.37527	42.0
476.05432	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	463.3052
Annotation	Verbacine
Peak:m/z	Relative Intensity
53.03934	2.1
55.01846	2.6
55.05503	11.3
57.03415	2.8
57.07067	11.4
59.04991	7.0
67.05495	25.7
68.05804	2.0
69.07061	32.4
69.74288	1.8
69.74634	16.5
71.04987	2.4
71.08620	15.1
76.75797	2.0
78.66402	2.0
79.05472	18.1
81.07049	27.2
83.08623	6.5
85.06528	4.3
85.10165	8.7
87.04457	2.0
89.06025	18.8
91.05469	26.1
93.07036	28.7
95.04981	5.1
95.08591	15.2
97.06455	2.6
105.04588	2.7
105.07027	20.6
107.04967	3.3
107.08591	16.9
109.06516	4.9
109.10155	8.5
117.06985	13.8
119.08578	11.2
121.06512	5.0
121.10136	8.3
123.11710	5.6
129.07005	7.3
131.08536	16.3
133.08577	9.3
133.10114	11.0
135.08087	2.2
135.11713	9.9
141.07014	3.0
143.05099	2.1
143.08545	6.5
145.10126	8.4
147.08047	3.2
147.11652	3.5
149.09618	3.7
149.13275	3.7
153.05453	8.3
155.08504	4.4
157.10120	4.7
159.11684	6.8
163.07480	2.6
163.11153	2.4
165.05464	19.9
169.10101	2.0
171.11722	5.2
177.05461	6.6
177.09079	5.0
177.11203	3.0
179.07001	20.8
185.13280	3.0
191.07037	7.0
191.10718	2.9
203.07043	6.1
205.08615	6.7
219.06622	4.3
219.10086	18.5
221.11707	4.5
225.11261	4.1
231.10114	11.1
233.11623	9.7
237.11200	28.4
242.09438	2.4
243.10060	2.7
247.13258	2.8
251.12766	21.2
257.11816	7.3
259.13193	3.1
259.77307	2.0
275.12756	16.5
275.16522	2.1
285.14810	2.2
287.16388	74.8
303.15845	9.7
305.17444	12.9
325.25278	2.4
335.23587	2.9
343.22610	8.2
343.26257	4.6
353.24695	8.9
359.22122	100.0
360.22360	4.4
371.21799	3.3
371.26010	11.7
377.23209	5.9
389.27155	10.6
401.23746	2.2
427.28555	5.8
445.29468	18.6
463.30600	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	463.3051
Annotation	Verbacine
Peak:m/z	Relative Intensity
55.05488	1.0
57.03433	3.5
57.07079	5.3
63.01886	0.8
67.05506	1.8
69.07067	15.8
70.91404	1.6
81.07058	4.6
83.01338	2.9
91.05501	1.6
93.07033	3.6
95.08588	1.9
105.07094	1.1
107.08588	2.6
109.02885	2.0
109.06512	1.9
109.10138	2.0
115.81955	0.8
116.23094	0.8
121.10123	1.2
122.15567	0.8
123.11693	19.9
127.03915	1.4
131.08565	1.2
135.08057	4.4
135.11685	7.9
137.06024	4.8
139.03906	1.1
145.10118	3.0
149.06012	1.4
149.09645	2.6
153.05501	5.4
159.08121	0.9
161.05945	1.3
162.06783	1.7
163.07529	5.0
163.11171	1.9
165.05469	90.2
166.05826	1.6
173.09599	3.3
176.08337	2.1
177.05464	1.1
177.09114	11.5
191.06970	1.0
191.10669	6.7
201.09117	3.8
204.07813	1.7
207.10208	1.2
217.08510	1.3
219.10149	69.9
220.10535	2.5
221.11722	67.9
222.12131	1.3
235.09604	1.2
237.11195	100.0
238.11572	2.1
275.16431	1.2
287.16400	35.5
288.16721	1.2
305.17450	25.4
323.18503	1.0
341.21127	1.9
343.22589	10.5
357.20712	2.2
359.22159	28.8
360.22168	1.3
371.22083	4.5
377.23203	10.6
427.28629	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	463.305
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.7
55.05494	3.9
57.03428	2.8
57.07068	10.6
65.39812	1.1
67.05503	9.7
69.03425	1.9
69.07059	30.8
70.27093	5.5
70.27461	2.1
71.08616	4.7
79.05502	5.5
81.07050	12.0
83.01350	3.5
83.08608	2.9
85.06531	2.6
85.10162	3.2
87.04449	1.6
89.06028	7.1
89.70544	1.1
91.05467	7.0
93.07037	16.1
95.04958	1.8
95.08592	4.5
97.06516	1.9
105.07029	5.7
107.08574	12.2
109.06498	2.4
109.10131	4.5
111.08144	1.3
117.07012	2.1
119.08573	3.0
121.06505	3.4
121.10126	2.7
123.11705	3.5
131.08548	4.2
133.08589	4.4
133.10097	2.8
135.08015	1.6
135.11679	10.7
137.05934	2.2
139.03900	1.4
141.05444	1.8
145.10112	3.5
147.07991	2.0
149.09583	1.4
149.13191	1.8
153.05438	9.3
157.10103	1.8
159.11650	1.9
161.05994	1.3
163.06113	1.2
163.07524	4.0
165.05472	21.7
167.07042	1.4
171.11671	1.8
173.09608	1.8
175.07512	2.3
175.11220	1.4
176.08344	1.7
177.09105	4.9
177.11246	1.5
177.12721	2.1
178.74730	1.3
179.07004	20.1
189.09016	1.3
191.07054	3.8
191.10693	4.5
193.08661	1.5
201.09216	1.8
203.07063	7.2
204.07774	2.5
205.08598	9.5
206.09222	1.9
207.10109	3.9
214.06535	1.2
215.10637	3.4
215.14217	1.3
217.08644	2.0
219.06599	2.8
219.10141	23.2
221.11678	1.8
225.11234	1.5
231.10170	13.5
233.11688	10.2
237.11189	19.8
242.09222	1.2
243.10057	1.7
245.11653	1.7
251.12776	12.4
257.11755	12.1
259.13275	3.5
273.97543	1.1
275.12778	14.1
275.16144	3.0
285.14841	4.9
287.16388	95.1
288.16760	2.9
303.15820	7.4
305.17435	14.6
341.21243	7.5
343.22604	6.4
353.24768	1.7
357.20023	1.3
359.22128	100.0
360.22375	3.8
371.21997	4.7
371.26111	2.8
377.23120	4.0
386.20386	1.2
389.27185	2.6
417.27249	1.3
427.28400	3.7
445.29550	5.3
463.30194	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3049
Annotation	Verbacine
Peak:m/z	Relative Intensity
50.72038	0.7
53.03939	5.8
55.01866	2.6
55.05506	18.4
57.03434	5.1
57.07061	3.2
59.04984	1.1
65.03923	3.1
67.05496	77.2
69.07057	26.5
71.01324	1.1
71.04662	0.7
71.04980	4.8
71.08607	1.2
71.73242	1.3
72.08121	0.8
73.02930	1.0
73.25348	0.6
74.33085	0.7
75.08315	0.7
79.05484	50.6
81.03410	3.4
81.07044	100.0
82.07385	1.4
83.04975	7.4
83.08604	18.7
85.06521	4.0
91.05466	33.6
93.07033	70.4
95.04951	11.2
95.08590	27.2
97.06526	13.5
97.10170	2.3
97.49149	0.7
99.08096	3.1
105.04499	1.5
105.07018	14.0
107.04962	2.3
107.08577	36.9
108.08923	1.3
109.06497	4.0
109.10130	4.6
111.08070	7.1
113.09603	1.0
115.05470	0.9
117.07008	13.1
119.08562	5.3
121.06483	2.7
121.10123	19.5
123.08050	1.6
123.11716	3.5
123.28015	0.8
125.09641	2.0
129.07001	2.4
131.08539	14.1
133.10118	14.5
135.08054	3.1
135.11671	10.7
136.30162	0.8
139.07597	1.1
139.11180	2.7
143.08563	2.3
145.10120	3.5
147.08003	1.1
147.11696	2.1
149.09612	2.1
149.13234	42.8
150.13637	0.9
151.11182	2.0
155.08505	1.0
157.10176	1.6
159.08022	1.4
159.11670	16.8
167.14339	1.0
171.11673	1.4
173.13232	1.0
177.12709	8.4
181.10130	0.8
183.11739	1.0
194.16060	0.9
195.11903	1.3
195.13789	19.2
213.14944	3.0
217.25603	0.8
251.16472	1.9
269.17188	0.9
270.32632	0.8
301.06927	1.0
335.23709	1.0
343.26401	1.1
353.24884	2.9
371.25809	3.7
389.26791	2.6
445.29468	3.7
446.29404	1.0
463.30560	57.7
464.30969	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.305
Annotation	Verbacine
Peak:m/z	Relative Intensity
50.71425	1.4
53.82178	1.4
55.05490	2.2
57.03416	3.7
57.07063	10.5
67.05496	5.2
69.07060	19.1
70.93948	3.2
79.05476	4.2
81.07037	8.9
83.01358	2.4
85.06524	2.0
91.05470	3.3
93.07024	10.4
95.04987	1.7
95.08588	4.6
105.07045	3.1
107.08564	10.1
109.02883	2.4
109.06505	3.4
109.10067	3.2
111.08096	2.0
119.08544	2.5
121.10155	3.3
123.11678	22.9
127.03852	2.6
131.08533	3.4
133.10161	1.6
135.08026	5.1
135.11658	17.6
137.05931	4.9
145.10074	3.6
149.09583	1.8
153.05443	9.5
163.07536	4.3
163.11168	2.3
165.05455	100.0
167.07021	1.9
173.09613	2.5
176.08350	1.9
177.09064	16.0
191.07109	3.1
191.10670	7.9
201.09065	4.4
217.08562	2.5
219.10141	75.4
220.10458	1.9
221.09547	3.2
221.11697	49.3
225.11238	4.0
237.11180	98.2
238.11633	2.5
247.13324	6.2
287.16412	52.0
288.16748	2.2
293.17413	3.8
305.17471	15.4
313.01755	1.5
319.95148	1.6
323.18802	1.8
341.20892	1.6
343.22562	13.7
357.20618	2.3
359.22134	44.1
360.22583	2.3
371.22034	7.6
427.28287	2.5
445.29828	1.7
463.30359	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	463.305
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02361	1.8
53.03946	6.4
55.01873	4.8
55.05507	26.3
57.03437	9.2
57.07071	3.8
62.08822	2.0
65.03936	5.6
67.05499	77.7
69.07064	27.1
69.88580	12.8
71.04975	5.6
78.61343	2.1
79.05488	65.4
81.03459	2.1
81.07052	77.9
83.04964	4.5
83.08614	15.1
85.06549	4.2
91.05474	92.6
91.06044	4.4
92.05826	2.5
93.07040	65.9
95.04958	13.3
95.08600	49.3
97.06535	8.2
97.10163	6.6
99.08060	2.3
103.05480	3.7
105.07025	80.9
107.04940	6.8
107.08591	34.4
107.09252	3.5
109.06513	8.1
109.10151	13.9
111.08054	3.2
115.05465	5.3
116.06219	2.7
117.07011	46.1
119.08572	52.1
121.06516	11.9
121.10143	23.5
123.08054	5.6
123.11703	2.2
123.34710	2.2
125.09629	3.5
128.06207	7.2
129.07005	25.7
130.07742	2.6
131.08554	60.9
133.06462	4.7
133.10114	29.3
135.08032	6.2
135.11650	10.1
137.09625	4.7
141.06960	12.5
142.07742	2.8
143.08536	23.1
145.06413	4.3
145.10114	39.5
147.07997	9.3
147.11716	11.2
149.09651	6.3
149.13268	5.2
154.07809	2.1
155.08542	17.4
157.10136	18.8
159.08041	3.3
159.11679	16.6
161.09650	3.0
161.13257	4.2
167.08560	3.8
169.10130	10.6
171.11697	13.9
173.09631	2.3
173.13286	8.5
175.14857	2.2
181.10114	8.9
183.11711	8.5
185.09615	3.7
185.13220	7.1
187.14757	3.7
189.12775	3.5
195.11708	7.4
195.13577	3.3
197.13306	8.0
199.11203	2.0
199.14745	2.8
209.13264	6.6
211.14822	7.6
213.12698	3.4
213.16234	2.4
215.14384	2.8
219.17307	2.6
223.14876	6.1
225.16417	2.8
227.14337	3.9
233.15483	2.4
237.16466	3.0
241.16136	2.4
247.17004	5.2
255.17384	3.6
257.19043	2.4
259.16827	2.5
261.18503	3.4
273.18546	5.2
307.24286	2.2
307.42255	1.9
325.25284	7.7
326.25754	2.1
335.23770	12.7
343.26273	18.5
353.24725	43.8
371.25800	58.4
372.26025	4.7
389.21780	2.6
389.26840	49.9
393.92676	2.0
417.30096	2.6
427.28278	6.2
445.29480	100.0
446.29877	7.2
463.30563	32.5
464.30560	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	463.3051
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23509	1.6
51.28719	1.4
53.03946	7.2
55.01867	6.4
55.05502	32.2
57.03194	1.3
57.03436	11.2
57.07064	2.8
65.03928	4.3
67.05495	88.4
68.05814	2.6
69.03432	1.8
69.07059	30.9
69.70387	11.7
71.04985	7.0
72.04610	1.7
79.05485	71.4
81.03423	2.6
81.07042	86.1
81.70359	1.6
83.04984	5.0
83.08128	2.1
83.08601	14.2
85.06542	5.5
87.70625	1.6
91.05466	100.0
91.14713	1.3
92.05814	3.0
93.07032	75.0
94.52056	1.3
95.04962	12.8
95.08595	58.1
97.06496	12.1
97.10158	6.3
99.08077	2.2
101.06033	1.8
103.05444	5.5
105.04533	2.3
105.07014	95.3
107.04945	9.5
107.08577	34.3
107.09245	2.8
109.06479	11.0
109.10147	14.1
111.08088	4.3
115.05449	7.4
116.06245	3.2
117.07001	50.4
119.08566	59.5
121.06491	12.0
121.10126	23.8
123.08073	4.9
123.11713	3.4
125.09634	2.6
128.06218	6.3
129.05502	1.5
129.06995	29.7
130.07750	2.4
131.08551	75.4
133.06499	5.5
133.10110	32.2
135.08051	5.8
135.11676	12.2
137.09601	4.3
139.11168	2.0
141.06976	10.7
142.07768	4.2
143.08537	31.1
144.09322	3.1
145.06480	6.0
145.10098	46.8
145.11218	2.8
146.10757	1.4
147.08035	10.4
147.11658	9.9
149.09641	6.6
149.13271	5.9
151.11096	1.9
154.07785	1.6
155.08551	17.2
155.32968	1.5
157.10112	22.9
159.08115	4.4
159.11662	18.3
161.09584	7.3
161.13263	6.0
163.11176	4.3
163.38762	1.5
167.08582	5.6
169.10127	17.0
171.08102	1.8
171.11652	16.6
173.09598	3.9
173.13284	8.5
175.11195	2.8
175.14836	2.6
177.12743	2.6
181.10074	8.8
182.10994	1.6
183.11726	12.4
185.09598	2.4
185.13263	9.3
187.11241	4.4
187.14784	8.2
189.12749	2.0
191.14355	2.1
195.11725	6.6
195.13655	2.3
197.13239	10.1
199.14851	5.5
201.12729	3.7
201.16418	1.7
203.14294	2.3
209.13339	6.7
211.14880	6.1
213.12761	2.7
213.16399	2.7
215.14400	3.8
215.17834	1.9
223.14859	4.4
225.16310	3.9
227.14262	3.5
227.17876	1.9
229.16000	2.9
233.15390	5.4
235.14767	2.4
235.17035	1.9
237.16496	3.5
239.18008	1.6
241.15855	2.4
243.17471	2.0
245.15369	3.5
247.16914	4.6
249.18660	1.8
257.18781	2.0
259.16940	5.4
261.18610	2.9
273.18533	5.7
275.20236	2.5
307.24258	2.8
325.25061	10.6
335.23602	15.9
343.26263	21.8
344.26602	1.7
353.24698	53.9
354.25137	3.4
371.25772	64.1
372.26260	2.4
389.26840	58.6
390.27362	1.6
409.27521	1.7
427.28561	6.5
445.29443	77.7
446.29947	5.5
463.30536	51.2
464.31003	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.305
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87638	2.0
53.03939	4.4
55.01865	6.0
55.05508	26.6
57.03435	11.1
65.03930	4.0
67.05498	75.4
69.07053	24.9
70.37405	10.6
70.76337	2.0
71.04979	5.7
73.06527	2.6
79.05487	66.4
81.07050	77.5
83.04981	5.3
83.08611	16.4
85.06522	4.3
89.26177	1.9
91.05467	83.2
93.07036	64.2
95.04948	13.1
95.08598	43.8
96.58991	2.3
97.06516	12.0
97.10163	6.0
103.05492	5.1
105.07020	79.2
107.04969	6.1
107.08592	28.5
109.06493	11.5
109.10121	16.7
111.08073	3.3
115.05466	5.4
117.07005	45.4
118.07304	2.1
119.08564	46.0
121.06508	10.3
121.10139	27.1
123.08080	4.3
123.11675	4.7
125.09621	2.3
128.06160	4.7
129.06992	30.3
131.08551	71.7
133.06485	3.1
133.10109	32.0
134.80373	2.4
135.08049	6.4
135.11685	9.4
137.09583	5.4
141.06961	9.9
143.08551	25.8
145.06502	4.8
145.10100	42.8
147.08032	7.4
147.11710	6.9
149.09628	9.4
149.13237	5.3
151.14569	2.4
153.64713	2.3
154.07741	2.6
155.08522	15.3
157.10117	16.8
159.08058	2.4
159.11688	19.8
161.09581	3.2
161.13277	4.0
161.27538	2.4
163.11206	3.7
167.08574	5.7
169.10098	13.3
171.11646	11.8
173.09566	3.1
173.13249	6.4
175.14838	2.6
181.10088	7.9
183.11690	6.8
185.13264	5.4
187.11151	4.6
187.14815	5.4
195.11743	6.8
197.13235	9.7
199.14833	6.3
201.12828	3.0
209.13289	5.6
215.14296	3.5
233.15326	4.5
241.15979	3.5
243.17429	3.5
247.16913	5.2
255.17581	3.5
259.16989	4.8
261.18506	3.7
273.15045	2.1
273.18439	7.2
275.20029	3.6
281.33316	2.1
287.20029	3.7
297.18588	2.5
325.25198	10.0
335.23486	14.3
343.26297	21.8
353.24719	47.8
354.25089	3.0
361.27573	2.8
371.25754	56.8
371.30316	3.4
389.21762	2.7
389.26831	55.3
390.27039	3.3
417.24667	2.8
417.30029	4.3
427.28537	6.1
445.29471	100.0
446.29782	7.5
463.30548	41.9
464.30847	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	463.3049
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13506	1.8
53.03933	6.2
55.01865	6.0
55.05507	34.1
57.03436	13.1
57.07061	2.8
65.03930	4.8
67.05498	79.8
69.07070	26.1
70.88212	5.7
71.04986	6.9
79.05484	60.3
81.03413	2.4
81.07050	77.9
83.04951	7.0
83.08618	15.2
85.06516	5.4
91.05475	100.0
92.05811	2.5
93.07039	68.6
95.04951	12.2
95.08003	3.3
95.08596	51.0
97.06513	9.0
97.10159	5.9
99.08086	3.0
103.05450	3.2
105.04493	2.0
105.07024	82.3
107.04958	6.2
107.08590	33.1
109.06506	11.2
109.10159	19.9
111.08066	6.1
115.05446	7.7
117.07012	44.7
119.04939	2.9
119.08569	50.4
121.06520	8.9
121.10141	29.0
123.08057	4.4
123.11698	4.0
125.09645	3.4
128.06206	5.4
129.07005	24.3
131.04875	2.0
131.08560	63.0
132.08907	2.2
133.06470	5.4
133.10118	30.4
135.08028	4.7
135.11685	12.3
137.09605	6.4
141.07013	10.8
142.07768	3.2
143.08548	31.2
145.06451	7.7
145.10106	43.9
146.10341	2.3
147.08020	8.3
147.11674	9.3
149.09612	8.2
149.13258	3.7
151.11168	3.5
154.07741	2.5
155.08543	15.4
157.06520	2.8
157.10110	19.2
159.11693	19.4
161.09656	3.0
161.13246	5.8
163.11215	2.3
167.08578	4.7
168.09309	2.2
169.10089	13.4
171.08092	2.6
171.11650	14.9
173.09634	3.5
173.13289	8.4
175.11205	4.1
175.14836	2.2
177.09334	1.9
181.10126	6.7
183.11731	8.9
185.13162	9.6
187.11130	2.5
187.14799	5.8
189.16367	2.9
195.11659	7.2
197.13258	11.3
199.11047	2.6
199.14835	4.4
201.12727	4.3
201.16389	2.2
205.15874	2.2
205.57515	2.1
209.13354	9.4
211.14801	7.9
213.12782	2.2
213.16389	3.4
215.14334	2.6
219.13788	2.3
221.13399	2.2
223.14824	4.8
225.16382	3.8
227.14305	3.9
229.15906	2.1
233.15147	4.1
235.16931	2.4
243.17258	2.1
247.16953	5.9
255.17374	2.4
257.18878	2.2
259.16959	5.6
261.18542	4.2
269.18872	1.8
273.18491	5.5
275.19995	2.4
287.20056	3.8
325.25278	6.4
335.23679	13.4
343.26300	23.4
345.96774	2.2
353.24725	54.1
353.28726	1.9
354.24860	4.2
355.43494	2.1
371.25790	61.9
372.26285	3.4
389.26846	65.2
390.27057	4.2
408.04422	2.0
417.29910	3.6
427.28235	6.0
445.29459	91.9
446.29852	4.1
463.30542	54.5
464.30936	2.7
472.68204	1.9
487.59656	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2664
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05490	2.1
68.69521	0.8
68.86079	0.8
69.07079	1.2
71.75735	1.1
79.05484	0.9
81.07040	2.8
84.04476	1.5
91.05444	1.4
93.07022	1.6
95.08586	1.3
100.98654	0.8
102.50579	0.9
107.08594	1.0
117.53717	0.8
130.30510	0.9
143.47220	0.8
149.13321	1.2
153.28741	1.0
231.54805	1.0
299.32367	1.0
323.93079	1.0
323.96695	0.9
352.20206	0.9
463.26617	100.0
464.27060	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	463.2913
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.8
55.01858	1.6
55.02987	3.0
55.05508	12.7
55.36615	0.8
57.03423	2.0
57.76510	0.8
61.02932	1.1
62.20007	1.0
67.05504	9.7
68.05031	0.9
69.03418	2.1
69.07065	5.4
70.06589	35.0
70.98107	1.4
70.98462	2.1
71.04990	0.9
72.08155	33.5
72.08559	1.8
79.05489	7.3
80.05034	1.4
81.03415	2.9
81.07056	12.3
82.06590	1.0
82.07398	0.8
83.04997	2.2
83.08607	5.3
84.08159	1.3
85.02901	2.5
85.06505	1.3
91.05470	8.2
93.07040	7.7
94.06555	5.2
95.04984	3.2
95.06087	1.0
95.08604	6.5
97.02905	1.9
97.06581	1.4
97.07645	13.1
97.10156	6.7
105.03402	1.1
105.07022	6.1
106.06594	0.9
107.05003	1.1
107.08587	8.3
109.06510	1.0
109.10162	4.9
111.04438	1.1
111.08101	1.3
112.08729	4.3
114.10288	38.3
116.07088	0.9
117.07022	2.8
119.04932	1.2
119.08576	5.3
120.08106	3.3
121.06474	1.5
121.10162	3.5
123.08137	1.0
123.11703	2.4
125.09640	4.3
129.06998	2.6
129.10391	0.8
131.08562	3.6
132.08069	2.1
133.08783	1.5
133.10110	4.8
134.09644	14.5
134.10570	1.1
135.08022	1.5
135.10431	2.0
135.11690	1.7
136.11194	6.9
137.05975	2.7
137.09596	1.7
137.13348	1.1
138.12766	1.0
141.07019	0.9
143.08571	1.2
145.06497	1.0
145.10121	3.1
146.06027	1.3
146.09651	4.1
147.08089	1.2
147.10449	7.3
147.11705	2.5
148.11186	13.3
149.09633	1.5
149.13251	1.8
151.07600	2.1
152.05685	1.5
153.05682	0.9
155.08521	1.0
157.10152	1.5
159.09227	1.4
159.11766	2.8
160.11186	10.9
161.07133	1.2
161.10831	1.3
161.12027	1.7
161.13255	1.3
162.11514	1.1
162.12798	2.0
165.09160	1.8
172.11147	1.7
173.10764	1.1
173.13295	0.9
174.12775	12.7
175.07635	0.9
175.11128	0.9
175.13629	2.8
176.14355	1.2
177.08998	1.3
186.12817	1.4
187.07538	2.0
188.11923	0.9
188.14342	7.7
189.15179	3.1
190.15909	14.8
191.15413	6.7
204.13829	1.3
206.28409	0.9
213.13945	1.4
215.15500	2.8
232.18149	1.4
254.17488	1.9
255.17908	2.0
270.18597	1.0
288.19586	2.3
300.19827	1.6
301.18372	1.3
306.20792	2.6
313.07095	2.1
318.20764	3.0
324.23489	1.1
342.24228	6.7
360.25317	11.5
367.23969	1.7
377.28076	1.5
384.26566	4.2
385.24765	4.9
392.29898	1.0
397.02740	1.1
402.27490	13.9
414.55646	1.1
419.30161	100.0
420.30542	3.7
463.29214	60.0
464.29626	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	463.266
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05484	1.2
67.05488	5.7
69.07032	2.3
70.29986	2.7
74.67129	0.7
79.05476	2.9
80.16465	0.8
81.07037	9.0
83.08598	0.9
84.04478	1.4
91.05444	1.6
93.07026	5.0
95.04992	0.8
95.08570	2.2
98.20877	1.0
105.40208	0.8
106.93585	0.9
107.08546	2.5
121.10130	2.2
131.08534	1.4
133.10037	1.1
149.13240	2.9
150.10826	0.8
159.11574	1.3
195.13875	0.9
463.26483	100.0
464.26962	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1231
Annotation	Swertiajaponin
Peak:m/z	Relative Intensity
55.01869	0.9
55.05484	0.5
57.03432	1.4
57.22394	0.4
67.05492	1.1
68.99786	0.8
70.06586	1.7
70.30119	1.3
70.30517	0.9
72.08134	0.9
73.02878	0.7
73.41706	0.5
79.05490	0.6
81.03408	1.3
81.07052	0.7
83.55864	0.6
84.04449	0.6
85.02888	2.8
86.09697	1.7
88.06241	0.4
89.42899	0.5
91.05476	0.5
93.07026	0.6
95.04936	0.7
95.08588	0.5
97.02860	1.0
97.29189	0.4
98.20744	0.5
105.06986	0.6
107.04937	3.2
108.05270	1.0
109.02854	1.6
114.10300	0.9
119.04935	0.6
119.08575	0.9
120.08112	1.3
121.02834	1.6
127.03970	0.6
131.04857	0.6
133.10014	0.6
133.50301	0.5
137.06041	0.6
141.01825	1.9
149.02371	0.9
149.05910	2.3
151.03893	5.4
163.03906	1.2
165.01826	10.5
167.03398	1.3
170.42818	0.5
175.03935	1.6
177.01768	0.9
177.05470	0.7
183.02892	5.5
187.03937	1.1
191.03435	1.3
195.02832	1.7
205.04916	0.9
217.04913	0.8
233.04472	0.7
243.02907	1.1
243.06589	1.6
243.69370	0.6
254.05652	0.9
258.05264	0.9
261.03885	0.9
268.07254	1.3
269.08148	0.6
270.05200	4.1
271.05960	2.3
282.05225	6.5
283.06049	0.9
284.06635	0.9
285.03867	0.6
285.07397	0.6
286.04706	2.3
286.08011	0.5
292.07236	1.2
295.16510	0.9
296.06744	9.7
297.07574	4.6
298.04712	19.8
298.08099	1.0
299.05301	1.9
300.06186	6.7
301.07123	5.5
308.06769	1.5
309.07513	1.4
310.04630	5.4
310.08334	4.6
311.05600	0.9
311.09100	4.4
312.06183	1.3
313.07028	100.0
314.07620	7.7
315.08478	0.8
320.06641	2.1
321.07556	1.1
322.04660	1.1
324.06265	9.9
325.06979	7.9
325.10663	1.6
326.07532	0.8
327.05026	0.9
327.08264	2.4
328.05740	16.5
329.06281	0.8
335.09082	1.6
336.06140	2.6
337.06976	1.9
338.07864	7.6
339.04926	1.7
339.08575	16.0
341.06702	0.6
343.08087	67.1
344.08456	2.3
348.06082	1.8
349.06747	0.8
351.08490	2.0
352.05615	0.8
353.05887	1.0
353.10202	15.4
361.06796	0.7
363.08640	2.3
364.05649	2.7
366.07376	1.2
367.08109	38.5
368.08444	2.3
376.05704	1.7
379.08044	11.2
381.09622	3.1
391.08115	8.8
394.06799	2.6
397.09100	20.1
398.09451	1.0
409.09140	20.8
410.09143	1.1
427.10233	22.0
428.10681	1.0
445.11273	10.3
446.11755	0.7
463.11667	3.7
463.26825	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1232
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.9
55.01849	1.0
55.05487	1.9
56.55018	0.5
57.03413	2.2
61.02921	1.2
65.03933	0.8
67.05512	5.1
68.99799	1.5
69.03404	2.0
69.07043	1.9
69.59031	2.5
69.59456	2.9
70.06562	1.9
71.04986	2.7
72.08138	1.3
77.17216	0.5
79.05466	3.4
81.03409	3.6
81.07048	8.2
83.04965	1.1
83.08597	1.1
84.08121	1.3
85.02879	1.8
85.06540	1.4
86.09686	0.7
91.05461	3.7
93.07037	4.2
95.04932	1.0
95.08598	3.6
97.02870	1.7
97.06536	1.1
99.04416	0.6
101.06001	0.6
103.05428	0.7
105.06996	3.4
107.04927	0.7
107.08557	3.8
109.02869	1.4
109.10123	2.2
111.04414	1.0
119.08555	2.1
121.10121	2.2
123.04415	0.7
123.07978	0.6
123.11669	1.3
127.03909	1.9
133.02853	0.6
133.10107	2.6
135.04416	3.4
135.08034	0.6
135.11676	0.8
137.02313	5.4
137.05965	1.2
141.01784	2.6
141.23973	0.5
142.07657	0.7
142.13060	0.5
145.10065	1.4
147.11621	0.8
149.02307	1.3
149.09671	0.9
149.13216	1.6
151.03873	0.6
151.07535	1.4
151.11179	0.8
153.01822	0.9
157.04167	0.6
157.10086	0.6
159.11664	3.0
161.02316	1.9
161.09666	0.6
161.13269	0.9
163.03865	1.6
163.07582	0.6
163.11154	0.9
165.01816	16.0
167.03377	1.5
171.11737	0.7
173.13316	0.7
177.01845	1.0
177.09090	0.6
177.12718	1.9
179.03401	3.0
179.40654	0.6
181.04884	1.2
183.02875	7.8
187.03922	0.9
187.07458	0.9
187.13319	1.0
191.03394	0.8
197.00745	0.6
201.16406	0.7
205.04938	0.9
207.02814	0.7
213.16304	0.6
221.04535	0.6
233.04369	0.6
243.02959	0.8
243.15944	3.4
245.04419	1.3
254.66425	0.7
261.03967	0.7
269.17450	5.7
271.05896	1.2
272.06790	0.7
283.06027	5.2
286.04678	1.6
287.05450	13.4
295.05963	3.8
296.06570	0.7
297.07498	6.6
299.05469	100.0
300.06079	7.7
301.20166	0.7
310.04599	0.7
311.05527	13.9
311.09149	1.9
313.03397	4.3
313.07031	9.8
315.05005	9.2
321.07468	2.7
323.05447	7.9
324.06088	3.8
325.03439	1.7
325.07019	13.8
326.07208	0.7
327.05020	7.7
327.08521	1.2
328.05792	0.9
329.06534	24.7
330.06906	1.3
337.07037	0.7
339.04910	4.9
339.08582	35.6
340.08920	2.1
341.06430	2.7
345.06158	0.6
349.07040	4.2
351.04980	1.8
351.08765	0.9
353.06543	6.3
357.05945	1.0
361.06894	1.0
367.08084	22.1
368.08368	1.2
369.05984	3.8
377.06531	2.5
385.08954	3.2
395.07574	51.3
396.07892	1.4
409.09167	1.6
413.08640	55.4
414.08978	2.6
431.09692	12.6
463.26666	2.0
481.72858	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1233
Annotation	Parkinsonin A
Peak:m/z	Relative Intensity
53.03941	2.6
54.34732	1.2
55.01862	3.9
55.05507	9.4
56.05011	1.2
57.03430	7.1
57.07066	1.9
61.02914	4.2
65.03930	2.2
67.05498	24.2
68.99778	2.1
69.03432	6.9
69.07054	8.2
70.06582	8.5
70.11760	5.1
71.04984	7.9
72.08148	3.6
73.02899	2.6
75.69307	1.1
79.01849	7.3
79.05477	11.9
81.03407	12.1
81.07047	38.1
83.04965	6.9
83.08604	4.9
84.04501	2.1
84.08144	2.8
85.02908	8.7
85.06528	5.0
86.09709	2.5
91.03944	1.8
91.05457	10.8
93.07031	17.1
95.04970	5.4
95.08596	11.1
97.02902	6.3
97.06537	3.7
97.10146	3.3
98.20804	1.7
99.04458	2.4
99.08098	2.8
105.07033	10.5
107.04966	3.1
107.08589	9.6
109.02863	6.0
109.06514	4.7
109.10172	8.7
111.04430	2.3
111.08070	2.0
114.10312	2.8
115.37901	1.1
117.07030	3.8
119.08566	6.9
120.08102	1.4
121.06497	2.9
121.10143	5.5
123.08023	1.2
123.11703	6.6
125.05987	2.1
125.09596	1.8
127.03909	4.1
129.05482	1.7
129.06953	2.2
131.08527	4.1
133.06444	2.2
133.10103	12.0
135.04391	3.9
135.08046	2.0
135.11674	4.6
136.05237	1.3
137.02332	21.0
137.05966	4.1
137.09601	2.4
139.07538	1.3
139.11130	1.9
143.08562	1.5
145.04868	1.4
145.10110	5.0
147.11681	4.5
149.05983	1.7
149.13258	5.3
151.07523	3.9
151.11182	2.4
153.01857	1.9
155.08575	1.6
157.06413	1.2
157.10104	4.0
159.11673	12.1
161.02341	4.2
161.05991	4.0
161.13304	3.0
163.03883	2.1
163.11223	1.6
165.01855	2.5
165.05563	2.1
165.09093	3.9
167.07045	2.1
169.10036	1.6
169.12154	1.7
171.11716	2.3
173.13342	1.6
175.14838	1.3
177.01880	2.5
177.12737	10.3
179.03346	5.9
179.14336	4.0
181.01334	2.8
181.04919	2.3
183.02905	1.9
183.11688	1.8
187.03915	1.9
187.07515	2.2
187.13272	3.8
187.14799	1.7
191.10623	1.6
192.04207	1.7
195.13806	2.3
197.13190	1.4
201.05424	1.7
203.03362	2.4
205.12291	1.3
207.06538	3.5
211.14816	1.6
217.04979	1.9
229.04904	6.7
231.06616	1.6
233.04495	2.5
235.06004	3.9
237.07623	3.7
243.15878	16.9
249.07684	1.5
251.05499	3.6
251.16325	1.9
255.06508	1.6
255.21249	1.7
257.17477	1.7
259.06039	3.9
261.03983	2.6
265.08545	1.2
269.04572	2.3
269.17422	28.9
269.20016	2.0
271.06100	8.1
272.06653	8.2
277.07083	2.0
279.05032	4.0
283.05920	1.4
286.04752	1.4
287.05460	13.8
289.03439	4.2
295.06036	1.4
299.05466	100.0
300.06198	41.8
301.06906	4.2
301.20178	1.3
311.05444	20.2
313.03448	7.2
313.07065	34.2
315.04953	91.6
316.05298	3.1
323.05600	1.7
324.06293	5.4
325.07321	2.2
327.04965	20.4
327.08575	1.9
328.05606	2.7
329.06519	68.2
330.06912	2.4
331.04407	13.9
332.04974	2.0
339.04910	7.4
339.08688	11.4
341.06552	6.7
345.06155	3.5
351.04678	2.3
353.06558	4.4
357.06009	5.4
357.09976	2.3
359.07446	7.3
362.23172	1.3
367.08163	10.4
369.06033	2.0
385.09143	16.5
387.07025	3.1
395.07599	16.6
409.09094	2.8
413.08624	62.9
414.09177	2.6
419.30215	3.6
427.10062	1.7
431.09695	88.5
432.10095	5.2
445.24579	1.8
463.12323	50.4
463.27921	5.2
464.12628	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1226
Annotation	Parkinsonin A
Peak:m/z	Relative Intensity
51.57866	1.1
55.01871	1.4
57.03431	1.5
66.61658	0.9
68.99793	1.2
69.03410	3.1
70.06577	3.1
70.35676	2.8
70.36087	2.3
71.04988	2.0
72.08134	1.9
76.35805	1.0
79.05508	1.3
81.07061	1.9
82.32762	0.8
84.08122	3.2
85.02904	1.5
86.09702	4.6
91.05463	2.1
100.11253	1.6
103.05440	1.1
109.02877	1.2
109.90688	1.0
110.07186	1.1
111.04385	0.9
120.08074	1.6
127.03863	1.3
129.10239	1.1
131.04906	0.9
135.04398	3.1
137.02353	6.6
137.05949	6.7
141.01804	3.3
149.02271	1.0
151.03867	1.0
161.02353	2.0
161.05975	1.3
163.03914	2.2
164.99013	1.1
165.01843	15.1
165.05467	3.7
167.03383	3.0
167.06943	1.1
179.03369	3.2
181.01305	1.7
181.04973	2.3
183.02879	11.9
191.03305	1.4
197.00781	2.8
223.07822	1.2
283.05911	4.2
286.04526	1.4
287.05432	16.1
295.06039	3.4
297.04068	2.0
297.07541	6.7
297.10928	1.5
299.05481	100.0
300.06039	6.6
310.04785	1.6
311.05527	17.2
311.09109	2.4
313.03394	8.1
313.07037	11.4
315.04965	47.3
316.05276	1.4
321.07803	2.2
323.05334	8.8
324.06180	5.0
325.03378	2.6
325.07016	13.4
327.04956	10.0
327.08420	1.9
329.06512	20.3
339.04868	11.5
339.08627	27.9
341.06570	2.3
349.07089	6.7
351.04993	2.3
353.02734	4.0
353.06528	6.0
357.06104	1.3
367.03470	1.8
367.08069	34.7
368.08609	1.3
369.06039	2.8
371.04105	1.1
377.06650	4.5
381.09943	1.1
385.09030	3.0
395.07578	63.4
396.07977	2.0
409.09351	6.2
410.09354	1.1
413.08664	46.8
414.08957	1.6
427.10236	8.7
428.10815	1.2
431.09644	6.5
445.11206	2.9
463.17538	2.0
469.52045	1.0
472.98111	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.2542
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05030	0.6
56.72278	0.6
57.03445	0.9
59.87236	0.5
61.02912	1.5
69.03409	2.9
70.06591	1.5
71.04970	0.7
71.11870	1.1
71.12212	0.6
72.08157	1.4
73.02910	0.8
73.06548	0.6
81.03410	1.1
84.04500	0.8
84.08134	1.8
85.02895	7.5
86.09710	1.6
87.04464	2.4
88.57921	0.6
89.06024	100.0
90.06348	1.1
97.02892	2.1
99.04446	0.6
99.73002	0.8
101.48685	0.5
105.07007	0.7
106.11147	0.5
107.04966	0.6
107.07066	2.9
109.02859	1.0
110.06057	0.6
116.07138	0.6
127.03901	1.1
129.10255	1.0
130.08598	0.9
133.08595	48.6
134.08963	0.7
136.07585	0.6
137.02351	0.7
145.04857	0.7
147.04413	1.3
151.03870	0.5
151.09642	1.0
154.08614	1.8
177.11212	18.1
179.07101	0.9
195.12277	3.7
217.68436	0.6
221.13860	1.7
237.38264	0.7
239.14893	3.6
243.32007	0.6
267.99545	0.6
283.17496	82.3
284.17880	2.4
300.05902	0.6
332.43402	0.6
463.09506	0.6
463.15860	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.1969
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43273	0.2
55.05513	1.4
56.05017	0.9
57.03423	0.9
61.02898	0.5
65.03921	0.3
67.05472	0.5
68.05000	0.3
68.98038	0.3
69.03423	1.4
70.06588	3.4
71.04981	2.9
71.72275	0.3
71.77392	0.2
72.08166	1.2
73.02904	0.3
74.06059	1.0
75.04469	0.3
79.05468	0.5
81.03397	1.0
81.07045	1.7
82.06537	0.4
84.04482	1.0
84.08131	1.2
85.02899	7.2
86.09689	1.8
91.03950	0.5
91.05465	8.0
92.05792	0.4
93.07038	0.3
96.04466	0.3
97.02886	2.8
97.05251	0.4
97.06535	0.4
98.06033	1.0
98.09676	0.6
99.04410	0.4
105.07006	0.4
108.08097	0.7
109.02826	0.7
109.06502	1.8
110.06030	0.7
110.07166	0.5
111.04423	0.6
111.06804	0.6
116.07084	3.4
119.04965	0.4
119.08566	0.3
120.08047	0.6
121.02831	0.3
122.06013	0.4
124.07576	0.5
125.02319	0.4
125.05977	1.2
125.06972	0.2
126.09138	2.3
127.03896	1.8
129.05496	0.4
129.10226	0.8
136.07562	0.6
138.09120	0.6
139.06256	0.9
140.10672	0.3
141.05408	0.3
144.06538	0.9
145.04941	2.5
146.05957	0.4
147.04427	2.6
148.07526	0.3
149.06042	0.4
154.08614	100.0
155.08989	2.1
157.04950	0.4
163.05980	0.6
166.08554	0.3
167.06999	0.6
168.10106	0.5
185.08070	3.3
196.09648	0.4
205.04764	0.4
229.05276	0.3
235.75056	0.3
282.13269	0.5
282.40353	0.3
300.14090	0.5
301.06836	1.5
313.03317	0.3
315.05014	0.3
316.13904	5.0
324.05936	0.4
408.08173	0.4
445.15683	0.3
463.16525	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.1965
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	1.1
56.05025	0.4
56.18751	0.2
60.04528	0.2
61.02910	0.3
69.03403	0.5
69.04324	0.2
70.02934	0.2
70.06580	1.9
71.05000	1.4
71.72372	0.3
72.08135	1.0
73.02885	0.2
79.05475	0.6
81.03427	0.4
81.07034	1.5
82.06560	0.3
83.04965	0.3
83.06077	0.2
83.08592	0.3
84.04491	0.7
84.08125	0.9
85.02892	2.2
86.09704	1.1
88.04028	0.3
91.05452	0.4
94.06571	0.3
95.05019	0.2
95.06087	0.3
96.08104	0.2
97.02888	0.5
97.05231	0.4
98.06054	0.5
98.09696	0.3
107.04964	0.5
108.04475	0.3
108.08102	0.9
109.06509	1.3
110.06014	1.0
110.07125	0.5
111.06830	0.7
116.07064	0.6
119.04929	0.2
120.08100	2.8
124.07523	0.3
125.07074	0.4
126.09156	1.1
128.21356	0.2
136.07582	0.8
137.02322	0.9
138.02660	0.2
139.06253	1.0
147.04391	0.3
154.08614	100.0
155.09009	1.4
165.10242	0.3
174.27165	0.3
179.03375	0.3
179.04973	0.3
187.10776	0.4
195.02827	0.4
197.04471	0.6
203.03331	0.5
204.03961	0.3
259.76013	0.2
276.13333	1.2
301.07059	0.6
311.05441	0.9
312.05814	2.2
313.06567	0.6
315.04837	0.6
316.13745	0.5
323.05319	0.3
324.05902	0.4
331.41428	0.2
337.06604	0.3
338.07416	0.7
341.06796	0.3
342.06836	0.4
347.17319	0.3
362.07678	0.3
366.07190	1.1
406.09949	0.3
408.07999	0.4
418.27170	0.4
426.08792	0.7
434.09589	0.4
444.08243	0.3
445.07834	0.3
462.08963	1.7
462.17651	0.4
462.27271	0.3
463.09879	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.3619
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	3.8
55.05508	23.6
57.07073	19.9
57.87724	3.5
67.05500	23.7
69.07065	45.5
70.28021	13.6
71.04993	24.8
71.08617	14.0
76.70573	4.1
79.05466	10.0
81.07044	57.0
83.08605	35.3
91.05486	9.9
93.07021	11.9
95.08585	47.7
97.10162	19.0
99.04469	9.8
101.26550	3.8
107.08579	12.3
109.06530	13.4
109.10146	32.4
111.11698	11.6
119.08529	5.5
121.06504	4.4
121.10141	12.2
123.11694	21.2
124.69218	3.5
125.05985	62.9
125.13278	4.2
127.03912	30.6
135.11734	5.8
137.05975	60.8
137.09605	12.5
137.13255	4.2
139.07509	5.0
145.10086	5.7
149.05928	5.6
149.09639	8.1
149.13219	5.2
151.07536	7.7
151.14787	3.3
165.09100	100.0
165.10440	7.3
167.07016	24.2
168.05186	4.3
177.09038	6.4
177.16382	3.7
184.19388	3.7
187.11115	4.9
190.19388	3.9
201.16330	3.7
205.12270	12.8
328.62372	3.8
351.26993	4.5
397.34665	5.1
405.20654	5.7
425.34094	5.4
443.35046	5.6
461.19104	28.1
462.19879	7.3
462.37048	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	461.3623
Annotation	Unknow
Peak:m/z	Relative Intensity
54.79029	0.3
55.05497	1.8
57.03420	0.5
57.07062	0.6
62.36399	0.3
63.22445	0.3
67.05177	0.5
67.05498	4.4
69.03426	0.9
69.07063	1.7
70.06577	0.5
71.04966	0.9
72.08140	0.7
72.21711	0.3
73.02895	0.4
79.05470	1.1
81.03386	0.5
81.07056	4.7
83.04972	1.2
83.08597	0.7
85.02905	0.4
85.06522	0.6
86.09681	0.5
91.05466	1.9
93.07034	2.4
95.04936	1.0
95.08589	3.7
97.02882	0.3
97.06509	0.5
97.10161	0.6
101.06065	0.3
105.07039	1.7
107.04917	0.5
107.08584	2.0
109.06493	1.0
109.10147	6.3
110.09556	0.3
111.11749	0.3
117.07014	0.6
119.08566	3.9
121.06497	0.5
121.10133	1.4
122.07288	2.2
123.08065	0.8
123.11665	1.0
125.09618	0.5
127.03858	0.4
128.06129	0.3
129.06989	0.5
131.08557	0.6
133.10117	1.0
135.08015	1.0
135.11671	1.2
137.05963	0.9
137.09605	11.8
137.13232	0.5
139.07475	0.5
143.08582	0.4
145.10072	0.4
147.11667	0.4
149.09579	2.1
149.13242	0.9
151.07544	1.4
153.09099	0.5
157.10086	0.6
159.11725	0.7
163.07541	0.4
163.11205	0.7
165.09100	100.0
166.09401	1.9
167.07047	0.5
177.09074	1.2
177.16412	0.6
177.28784	0.3
189.12782	0.9
191.10674	0.5
205.12273	0.6
205.19534	0.6
263.23666	0.3
273.25812	0.4
281.12759	0.6
291.27051	0.7
313.07181	0.3
443.29294	0.4
443.35266	2.1
445.84546	0.3
461.19269	0.4
461.28235	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.3259
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.9
55.01856	0.9
55.05504	4.6
57.03427	0.5
57.07073	1.2
65.03927	0.7
65.11929	0.3
67.05502	10.6
69.03423	1.9
69.07058	6.3
70.06582	0.9
71.04980	0.9
71.08617	0.4
71.25213	0.8
72.08153	0.6
77.54182	0.3
79.05487	4.5
81.03393	1.1
81.07051	13.5
83.04986	1.8
83.08609	2.6
84.08136	0.5
85.02903	1.3
85.06522	1.1
89.06010	0.4
89.32150	0.4
91.05470	4.7
93.07036	6.9
95.04951	1.9
95.08600	20.7
96.08966	0.5
97.02887	0.7
97.06522	0.9
97.10151	1.9
99.04438	0.9
99.08076	0.6
101.06010	1.1
105.07034	5.2
106.07314	0.4
107.04964	1.0
107.08583	4.5
108.05721	0.9
109.02888	0.7
109.06528	1.3
109.10156	8.8
110.10526	0.4
110.95393	0.4
111.04403	0.9
111.08065	0.4
111.11684	0.9
113.09606	0.8
117.07011	1.3
119.08578	3.6
121.06490	1.4
121.10132	2.9
122.07236	0.3
123.07146	0.6
123.08057	12.0
123.11694	4.1
123.58889	0.4
125.05958	0.5
125.09641	0.7
127.03893	0.8
127.11166	0.7
129.05478	0.4
129.06993	1.2
131.04893	0.4
131.08569	2.1
133.10106	2.3
135.08054	6.1
135.11693	2.3
137.05971	1.0
137.09601	1.5
137.13228	1.5
139.07466	0.5
139.11116	0.5
143.08577	0.8
145.06529	0.5
145.10135	1.7
147.08023	1.0
147.11682	2.4
149.05998	0.4
149.09630	1.7
149.13248	1.7
151.07530	100.0
151.14781	1.2
152.05705	2.0
152.07877	2.1
153.03993	0.4
153.09071	0.5
153.12703	0.5
155.08627	0.5
157.10110	1.1
158.07329	0.5
159.11650	1.9
161.09618	0.7
161.13191	1.0
163.07541	3.1
163.11188	1.4
163.14822	0.7
165.09116	11.9
165.12611	0.4
165.16417	0.7
166.09418	0.8
167.07051	0.9
167.69540	0.4
171.11716	1.2
173.09613	1.1
173.13327	0.7
175.07521	1.4
175.11192	1.1
176.08354	0.5
177.09119	5.5
177.16339	0.6
179.07071	0.4
183.11673	0.7
185.13324	0.6
187.11227	0.6
189.09045	2.9
189.12682	0.9
189.16312	0.5
191.10658	16.2
192.11053	0.6
193.12315	0.4
197.13297	0.5
198.09998	0.4
199.14821	0.5
203.10580	0.9
205.12251	4.2
207.13768	0.8
213.12724	0.5
217.12376	0.4
231.13721	0.5
233.15337	0.9
247.13127	0.4
253.25217	0.5
259.24265	0.9
277.25232	1.2
281.17404	0.7
323.25842	2.3
351.22665	0.6
369.24149	0.6
397.30963	1.1
415.32233	3.4
425.30423	1.1
443.27335	0.6
461.28647	1.7
461.33374	1.0
462.26981	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.3257
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.9
55.01854	1.1
55.05512	6.6
55.12798	0.7
57.03418	1.0
57.07056	1.5
67.05189	1.0
67.05500	11.9
68.28683	0.8
69.03410	3.0
69.07051	6.5
71.02087	1.8
71.02460	1.7
71.04982	1.1
71.08614	0.9
75.49953	0.7
79.05476	6.4
81.03397	2.1
81.07046	17.4
83.01308	1.5
83.04989	3.9
83.08593	2.9
84.08104	0.8
85.02895	1.9
85.06514	1.3
91.05467	6.9
93.07034	8.4
95.01310	0.8
95.04934	3.0
95.08595	18.9
97.02887	1.1
97.06526	1.6
97.10156	3.3
97.34113	0.7
99.04454	0.9
99.08041	1.3
100.11250	1.2
103.05417	1.2
105.07031	8.0
107.04940	1.2
107.08578	8.5
109.06491	2.5
109.10142	11.8
111.04433	7.3
111.08046	1.5
117.07012	3.2
119.04867	1.1
119.08545	5.5
121.06496	3.8
121.10113	4.8
122.07353	0.8
123.08053	11.5
123.11675	3.5
125.05959	1.3
125.09594	1.9
127.11165	0.9
129.06958	2.7
131.08559	7.6
133.10117	4.3
135.08035	9.2
135.11664	3.2
136.06235	1.0
137.05907	1.6
137.09584	5.6
137.13234	1.4
139.03905	0.8
141.06932	1.5
143.08521	2.4
144.09282	1.0
145.06425	1.0
145.10115	6.7
147.08026	2.1
147.11618	3.6
149.09593	6.8
149.13268	2.1
151.07526	89.7
152.07890	1.5
157.10074	1.6
159.08029	4.8
159.11682	3.8
161.05949	2.1
161.09604	2.1
161.13185	1.5
162.06718	2.9
163.07512	2.0
163.11171	6.9
163.14882	1.1
165.09102	52.8
166.09375	2.4
167.06987	1.6
171.11684	1.2
172.08844	1.3
173.09618	6.2
173.13148	1.4
175.07492	2.0
175.11153	1.3
176.08299	8.3
177.09094	60.5
177.12572	2.1
178.09305	1.1
179.10602	1.7
183.11639	1.0
185.13260	1.2
187.11151	2.9
189.09007	1.6
189.12714	1.3
190.09895	4.3
191.10648	100.0
192.10988	2.1
197.15152	0.9
198.14835	1.0
201.12740	1.5
203.10698	2.5
205.12222	65.1
206.12521	1.3
215.14345	1.0
217.12192	1.2
217.15802	1.0
219.13824	4.6
225.08865	0.8
233.15341	1.7
251.23700	1.0
271.16800	0.7
278.36267	0.7
282.03198	0.8
288.65411	0.8
314.53973	0.8
320.12015	0.8
351.22989	1.2
369.24146	3.3
387.24966	1.3
415.32025	4.0
443.27509	2.1
461.28265	4.9
461.32727	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	461.2894
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01568	1.6
51.02382	2.0
51.41496	1.7
53.03929	6.6
55.01863	9.3
55.05507	45.4
57.03433	14.1
57.07072	4.5
65.03934	4.1
67.05500	82.7
68.05833	2.0
69.03418	5.5
69.07064	29.9
69.16322	1.7
69.96825	5.4
69.97243	5.8
71.04980	8.1
72.08132	2.7
73.06529	1.7
79.05488	78.9
81.03421	8.9
81.07050	76.1
81.07536	2.5
83.04971	10.3
83.08611	25.0
85.02905	2.1
85.06537	5.2
89.06007	5.2
91.05473	100.0
91.18209	1.5
93.07040	60.2
95.04964	21.7
95.08603	42.8
97.06515	10.6
97.10169	15.5
98.20797	2.3
99.08111	3.3
103.05476	7.4
105.03407	3.6
105.04519	3.1
105.07023	78.2
107.04942	15.0
107.08585	31.2
109.06494	10.3
109.10145	21.6
111.04423	2.0
111.08089	6.7
115.05447	7.6
116.06209	3.9
117.07005	54.6
119.04934	5.9
119.08575	40.6
121.06499	16.2
121.10130	19.2
123.04359	2.8
123.08102	8.6
123.11732	5.0
125.09618	10.3
128.06241	12.5
129.06999	52.4
130.07809	3.3
131.04939	6.0
131.08551	65.4
133.06468	11.7
133.08598	2.8
133.10126	24.5
135.08028	10.6
135.11717	9.8
137.09601	7.8
137.41287	1.7
139.11211	1.6
141.06985	20.9
142.07782	7.6
143.08543	46.2
144.09267	2.6
145.06488	19.2
145.10115	33.8
147.08044	13.7
147.11699	7.7
149.09631	11.3
149.13272	5.6
151.07555	3.2
151.11171	3.6
153.06984	5.6
154.07736	4.1
155.08527	29.3
155.10583	1.7
157.06532	4.1
157.10127	28.4
159.08073	12.6
159.11652	19.3
161.09613	8.1
161.13254	3.8
163.11194	5.6
165.07031	4.2
165.09113	15.0
165.12747	2.2
166.07765	3.5
167.08530	11.5
168.09409	3.8
169.10121	22.2
171.08044	6.9
171.11696	15.8
173.09599	4.4
173.13255	7.2
175.11157	4.1
177.12743	8.0
178.07803	2.9
179.08592	5.7
181.10115	11.4
182.10861	3.1
183.11678	14.8
185.09631	4.9
185.13243	13.1
187.11176	5.1
187.14833	4.1
189.11218	4.9
189.12738	3.9
191.10645	2.6
193.10074	8.6
195.11679	11.8
197.09576	4.5
197.13272	7.3
199.11223	3.5
199.14845	8.5
201.12770	3.1
203.14345	3.7
207.11722	6.2
209.13269	12.5
211.11168	4.9
211.14803	8.4
213.12820	9.5
213.16391	2.3
215.14301	7.3
217.12219	2.2
217.15869	7.4
219.13730	1.8
221.13274	7.3
223.14850	8.4
225.12788	4.4
225.16440	3.7
227.14546	3.8
229.16057	2.5
231.13904	2.7
231.17474	2.0
233.15321	4.4
235.14915	3.5
239.14352	8.2
241.15900	3.8
243.14037	3.6
243.17352	3.2
245.15439	4.5
247.14598	2.0
247.16943	2.9
253.15929	5.1
257.15393	7.3
259.16907	2.7
267.17529	2.3
271.16934	6.8
273.18430	2.5
275.16464	3.5
285.18500	4.2
289.17740	2.6
315.21063	2.3
323.23566	8.4
333.22116	12.4
341.24713	15.7
351.23148	53.2
359.25742	3.1
369.24219	74.6
370.25040	3.1
387.25278	36.4
405.26440	3.2
417.26157	3.0
425.26831	3.8
433.29764	3.3
443.27951	69.3
444.27927	5.1
461.29010	79.5
462.29105	4.4
488.42377	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.289
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	8.5
55.01874	15.1
55.05504	62.4
56.50345	2.4
57.03424	20.6
57.07064	5.1
59.04984	4.1
61.02909	3.2
62.81906	2.3
64.54794	2.4
65.03925	6.7
67.05495	94.3
69.03421	11.0
69.07060	36.3
70.06575	4.7
71.04977	10.3
71.75026	5.1
72.08136	3.7
79.05481	88.3
81.03401	10.4
81.07047	82.7
83.04965	9.7
83.08608	35.3
84.08127	4.1
85.06525	6.6
91.05468	100.0
93.07039	80.5
95.04953	20.8
95.08592	55.1
97.06519	9.5
97.10151	30.5
99.08101	3.8
103.05454	4.6
105.07021	84.9
107.04971	14.5
107.08586	41.9
109.06513	15.7
109.10154	30.0
111.08087	5.5
115.05419	14.4
116.06271	4.3
117.06264	5.1
117.07011	53.2
119.04948	3.7
119.08567	49.1
121.06518	21.4
121.10132	23.6
123.04402	4.3
123.08052	10.3
123.11689	7.6
125.09618	22.9
128.06212	11.8
129.06982	62.6
130.07787	4.3
131.04913	6.4
131.08549	80.4
133.06458	17.0
133.10106	29.1
135.08032	15.8
135.10698	3.1
135.11685	9.7
137.09621	10.0
141.06987	22.3
142.07765	8.6
143.08533	51.6
145.06474	20.4
145.10117	43.6
147.08035	19.6
147.11671	12.4
149.09604	13.8
151.07542	3.3
151.11174	6.7
153.07013	5.5
153.09085	3.8
154.07668	4.8
155.06035	4.1
155.08531	34.4
156.09308	4.6
157.06496	5.3
157.10150	35.0
159.08092	15.0
159.11667	27.1
161.09613	9.6
161.13205	3.0
163.11179	8.0
165.07040	5.5
165.09132	7.1
166.07762	3.6
167.07233	3.2
167.08556	14.1
168.09331	4.0
169.10110	21.0
171.08058	10.2
171.11644	22.7
173.09622	9.0
173.11858	2.8
173.13274	9.4
175.11131	6.9
177.12648	4.7
179.08569	4.2
181.10077	18.1
183.11659	17.0
185.09607	9.7
185.13232	11.0
187.11148	4.9
189.09706	3.1
189.11166	15.0
193.10124	5.8
195.11752	11.9
197.09633	5.2
197.13280	10.8
199.11162	3.6
199.14795	16.3
201.12776	6.7
203.14270	5.6
205.12462	2.8
207.11725	8.5
209.13235	10.8
211.11180	8.1
211.14832	7.5
213.12775	11.5
215.14349	6.6
217.15833	17.2
221.13252	7.4
223.14865	10.0
225.12776	6.4
225.16423	4.7
227.14461	4.6
229.15952	4.0
231.13817	3.2
231.17401	3.5
233.13263	3.8
233.15462	3.6
235.14877	6.2
239.14308	8.6
243.13783	4.7
245.15361	4.2
249.16394	3.1
251.08209	5.1
253.15961	7.3
254.17604	13.2
255.17702	13.0
257.15311	8.0
267.17673	3.2
269.09039	3.8
271.16931	9.8
275.16379	3.4
279.07581	2.9
285.18826	4.6
287.16568	3.4
300.18182	5.1
301.18433	5.3
313.25391	3.0
323.23816	9.5
333.22073	11.0
341.24591	15.9
351.23181	55.4
369.24222	97.7
387.25262	49.4
405.26407	3.4
415.28778	5.3
425.26968	6.6
443.27936	88.5
444.28162	5.3
461.29047	99.4
462.16653	4.0
462.29141	3.4
485.60031	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	461.2894
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02389	1.7
53.03933	7.5
55.01865	8.3
55.05504	36.6
57.03442	7.6
57.07078	1.6
57.28872	1.4
59.79580	1.5
65.03933	1.9
67.05500	57.9
69.03413	6.7
69.07062	17.3
69.67860	5.0
69.68289	6.4
71.04996	3.8
79.05025	2.2
79.05488	51.9
81.03403	13.0
81.07047	57.7
83.04968	7.8
83.08607	20.2
85.06529	3.3
91.05467	46.8
91.86337	1.4
93.07039	50.3
94.07398	1.8
95.04957	50.8
95.08596	27.6
97.06526	6.3
97.10162	18.3
98.20728	3.1
99.08060	2.3
101.74925	1.3
103.05476	4.1
105.07014	43.7
105.07723	2.1
107.04945	16.1
107.08582	27.2
109.06516	10.2
109.10145	14.1
111.04470	2.5
111.08079	7.8
111.08748	1.4
113.04543	1.6
115.05444	4.8
117.07010	29.9
117.07790	1.9
118.36655	1.5
119.04924	5.9
119.08569	25.1
121.06487	24.5
121.10134	14.6
123.08071	9.0
123.11703	4.2
124.05130	1.5
125.09619	15.5
128.06197	7.0
129.06990	21.8
131.04945	5.1
131.08563	31.6
131.09467	2.8
133.06483	11.0
133.10139	14.8
135.08041	9.6
135.11688	11.0
137.09676	3.4
139.07617	1.5
141.06935	8.1
142.07771	3.7
143.08568	13.9
145.06490	25.7
145.10107	18.2
147.08049	12.0
147.11691	5.9
149.09633	7.3
149.13289	7.6
151.07538	6.6
152.05716	1.8
153.07018	1.9
153.09157	2.5
154.07695	2.1
155.08511	9.6
157.06473	3.4
157.10126	9.9
159.08022	9.6
159.11682	10.5
161.08350	1.6
161.09659	6.2
161.13208	4.1
163.07552	1.4
163.11169	7.5
165.07036	1.8
165.09073	9.3
167.07121	1.8
167.08572	5.9
169.10072	7.8
171.08061	5.5
171.11604	8.2
173.09619	4.7
173.13252	4.9
175.11220	2.6
175.14867	1.4
177.12726	5.9
181.10120	5.5
183.07990	2.7
183.11629	8.2
185.09645	3.8
185.13284	5.9
187.11192	3.4
189.09357	2.8
189.11227	12.5
189.12656	2.8
189.16316	3.0
191.10762	1.8
193.10139	1.8
193.12238	4.0
195.11717	2.9
197.09775	1.7
197.13235	7.1
199.11174	1.7
199.14835	7.9
201.12599	3.2
203.10741	2.3
203.14381	2.8
205.12242	6.5
207.13811	1.8
209.13293	4.3
211.14732	1.9
213.12787	4.0
213.16426	1.8
215.14241	2.9
216.49457	1.4
217.12335	2.0
217.15913	12.7
219.13843	2.0
221.13310	2.3
223.13301	4.9
223.15129	2.0
225.12785	2.9
227.12776	4.4
229.15866	1.8
231.13927	4.6
233.15382	2.8
235.14842	2.4
239.14369	3.6
243.13850	2.7
245.13219	1.8
245.15509	2.0
249.14908	5.2
253.15709	1.6
255.17473	1.8
257.15402	5.3
259.16885	3.0
267.15961	3.4
271.16992	2.6
273.18430	2.5
275.16422	2.3
289.17950	1.7
300.31955	1.7
323.23758	3.4
333.22037	2.8
341.24719	5.7
351.23157	27.5
368.21127	1.7
369.24216	51.4
387.25311	23.8
405.26315	5.3
407.25677	4.2
415.28436	2.4
417.26157	2.5
425.26987	5.6
431.27927	2.0
443.27911	45.8
444.28409	2.4
461.28958	100.0
462.28848	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2896
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99680	2.5
53.03946	7.6
55.01863	8.1
55.05507	47.0
57.03432	17.0
65.03937	5.3
67.05501	87.4
69.07071	36.3
71.04984	7.3
72.08170	3.1
79.05489	67.4
81.03410	6.6
81.07052	84.1
83.04974	10.0
83.08616	23.6
85.06554	6.6
91.05473	100.0
93.07040	69.9
95.04954	21.6
95.08606	51.6
97.06539	12.4
97.10181	13.1
99.08097	4.3
103.05486	6.3
105.07020	75.3
107.04965	14.0
107.08589	35.3
109.06535	12.8
109.10170	24.6
111.08064	7.2
114.23127	2.6
115.05492	9.8
116.06242	3.0
117.07012	57.8
119.04931	5.0
119.08572	43.1
121.06513	17.8
121.10131	19.8
123.08041	7.9
125.09638	8.1
128.06236	15.2
129.06998	68.9
130.07848	3.5
131.04910	3.7
131.08554	78.0
133.06477	15.0
133.10130	23.3
135.08070	11.7
135.11700	10.1
137.09602	6.7
139.11244	4.3
141.06952	20.0
142.07773	8.4
143.08565	52.4
145.06467	17.8
145.10103	34.5
147.08078	13.3
147.11705	10.4
149.09642	9.1
151.07539	3.8
151.11261	3.8
153.07004	6.4
154.07825	5.0
155.08531	39.5
156.09157	3.3
157.06512	6.9
157.10112	31.2
159.08067	10.8
159.11646	18.9
161.09639	5.8
161.13272	4.6
163.11150	4.2
165.07101	5.2
167.08586	17.3
168.09276	3.0
169.10127	23.1
171.08060	7.7
171.11703	20.4
173.09647	3.9
173.13243	8.4
175.11165	5.9
177.12755	7.0
179.08569	7.8
181.10092	19.1
183.08122	3.5
183.11658	18.7
185.09514	5.7
185.13252	12.1
187.11197	5.6
187.14867	8.6
189.11194	5.4
193.10124	8.1
193.12149	4.0
195.11655	12.4
197.13252	16.2
199.11322	3.5
199.14743	5.9
205.10098	3.3
207.11734	10.6
207.13760	3.5
209.13268	12.8
211.11276	4.3
211.14789	9.5
213.12784	7.2
215.14331	12.9
217.15755	4.1
219.11717	5.2
221.13191	14.5
223.14832	13.1
225.12752	3.1
225.16435	4.2
235.14851	8.2
239.14273	15.8
245.15395	4.5
249.16466	3.8
253.15897	7.4
255.17386	3.2
257.15372	10.8
267.17352	3.2
271.16922	9.7
275.16498	4.0
305.22678	4.2
323.23709	12.8
333.22110	17.9
341.24780	18.6
351.23157	57.6
369.24234	68.8
387.25308	26.0
415.28284	3.8
425.26617	6.9
443.27957	82.7
444.28326	4.4
461.29028	76.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2894
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	8.4
55.01867	12.3
55.05506	52.8
57.03436	10.5
57.07059	1.9
58.84980	2.1
61.02922	1.9
65.03927	4.9
67.05500	91.1
69.03407	5.3
69.06738	2.8
69.07068	34.1
70.06581	3.8
71.04979	6.8
71.26965	4.0
73.53908	1.5
79.05486	73.8
81.03397	6.8
81.07047	73.6
83.04971	8.2
83.08608	30.6
85.06538	7.6
89.06036	1.8
91.05472	100.0
92.05788	2.2
93.07037	64.8
95.04959	23.2
95.08595	46.5
97.06510	9.3
97.10158	26.4
97.10741	3.1
98.84079	2.1
99.08075	2.7
103.05444	5.4
105.04488	2.0
105.07020	73.9
106.07290	2.3
107.04948	19.0
107.08592	38.3
109.06518	13.4
109.10145	20.0
111.08052	6.2
114.06174	1.9
115.05443	12.7
116.06237	2.8
117.07010	59.8
119.04980	4.2
119.08575	49.9
121.06493	17.6
121.10146	17.9
123.04392	1.8
123.08041	10.0
123.11694	5.8
125.09619	19.9
126.16814	1.6
128.06230	15.2
129.06985	55.0
130.07809	4.0
131.04930	6.7
131.08549	72.8
133.06488	15.7
133.10124	30.3
135.04431	1.9
135.08025	15.3
135.11676	8.6
137.05952	1.8
137.09584	9.0
141.06969	20.9
142.07753	8.2
143.08549	49.2
144.05675	2.5
144.09290	2.4
145.06464	22.0
145.10101	34.3
147.08038	15.6
147.11649	8.9
149.09639	9.4
149.13300	2.1
151.11163	4.5
153.06966	4.2
153.09070	2.3
154.07722	4.4
155.08540	28.3
156.09186	2.3
157.06487	5.6
157.10110	28.8
159.08054	12.9
159.11674	15.9
161.05882	1.9
161.09601	7.3
161.13278	2.8
163.11179	5.5
165.06973	2.9
166.07722	3.3
167.08504	11.6
168.09366	2.6
169.10129	20.7
170.10767	2.2
171.08051	7.2
171.10310	3.4
171.11652	19.9
173.05984	2.0
173.09613	8.2
173.13257	7.5
175.11212	7.3
175.14821	2.2
177.12746	4.7
179.08577	7.3
180.09323	3.4
181.10135	14.0
181.54381	1.8
183.11638	13.8
185.09641	5.6
185.13303	12.1
187.11215	4.4
187.14815	5.1
189.01151	2.0
189.11218	15.8
189.12701	2.9
189.16368	3.2
191.14340	2.9
193.10124	7.2
193.12022	2.4
195.11734	10.2
197.09680	5.0
197.13246	12.5
199.11107	4.6
199.14839	15.9
201.12708	10.2
203.14360	2.0
207.11699	5.9
209.13203	10.5
211.11227	4.3
211.14871	5.4
213.12759	12.9
213.16414	3.0
215.14290	5.5
217.15872	15.0
221.13274	7.9
221.15326	1.7
223.14853	6.2
225.12753	7.1
225.16333	3.5
227.12579	4.6
227.14505	4.2
229.12396	2.3
229.15884	4.2
231.13875	3.5
231.17508	3.9
233.15331	3.3
235.14836	5.0
235.16888	2.2
237.16379	2.3
239.14307	4.8
239.17953	2.4
241.15781	4.8
243.13730	4.5
243.17490	2.7
245.15405	4.0
253.15851	5.2
253.59859	2.0
255.17317	3.0
257.15323	6.9
259.16959	3.9
271.16968	5.3
273.18457	4.4
275.16504	4.2
275.19882	3.3
285.18460	4.6
305.22406	2.3
323.23798	12.8
325.21463	1.9
327.23099	2.9
333.22125	11.9
341.24680	19.0
342.65573	1.9
351.23184	55.0
352.23676	2.5
359.25690	3.4
369.24207	97.4
370.24503	4.8
387.25293	48.2
405.26538	3.6
415.28418	3.0
417.26132	2.4
425.26901	6.1
443.27921	90.3
444.28207	3.1
461.28955	94.9
462.29086	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	461.2897
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	4.8
55.01862	10.4
55.05506	38.4
56.08131	0.9
56.75308	1.0
57.03436	8.3
57.07059	2.1
57.84353	0.8
59.05010	1.2
64.20004	0.9
65.03928	4.1
67.05499	56.1
69.03420	8.1
69.07060	18.6
70.04064	2.0
70.06565	2.5
71.04977	4.4
71.20777	2.6
77.03940	1.2
79.05486	59.8
81.03410	13.8
81.07048	56.2
81.07550	1.6
83.04960	7.1
83.08617	19.7
85.02876	2.4
85.06496	4.7
91.05469	47.8
93.03371	1.3
93.07036	45.7
94.07378	1.1
95.04961	49.0
95.08600	33.6
97.02866	1.5
97.06533	6.3
97.09570	1.8
97.10159	21.9
103.05466	2.9
105.03387	2.2
105.04503	1.6
105.07022	40.5
107.04942	16.5
107.08585	27.8
109.02863	2.7
109.06507	8.9
109.10136	14.8
111.04414	2.3
111.08086	5.1
112.62079	1.0
114.14011	1.0
115.05431	4.7
117.07008	26.4
119.04951	4.7
119.08568	22.4
121.06503	24.6
121.10119	11.9
123.04450	1.8
123.08056	10.5
123.11708	3.8
125.06036	1.0
125.09617	19.1
125.10499	1.4
127.03928	1.7
128.06195	5.1
129.06999	21.0
130.07750	1.6
131.04916	8.2
131.08559	31.3
133.06471	13.3
133.10124	14.3
135.08061	8.7
135.11691	8.6
137.06003	3.1
137.09615	3.7
141.07008	8.2
142.07733	3.1
143.04947	1.2
143.08546	19.7
143.10519	1.1
145.06473	26.5
145.10106	16.4
147.08037	11.7
147.11671	5.1
149.05884	1.2
149.09628	8.0
149.13220	4.9
151.07532	6.7
152.05637	5.9
153.07010	2.2
153.09113	2.6
154.07860	1.6
155.08546	11.6
156.09279	1.0
156.67677	1.0
157.06494	5.1
157.10110	12.7
159.08058	8.4
159.11699	11.9
161.09598	8.3
161.13257	2.9
163.11156	7.8
165.07010	1.5
165.09103	9.5
167.07069	1.5
167.08549	4.5
168.09232	1.0
169.10097	7.6
171.08047	6.7
171.10303	1.6
171.11658	8.8
173.09680	5.2
173.13295	4.3
175.07550	1.3
175.11197	3.4
175.14809	1.3
177.09097	2.7
177.12746	9.2
179.08615	2.3
181.10143	4.0
182.10814	1.1
183.08038	2.4
183.11639	6.4
185.09610	4.4
185.13260	5.4
187.07498	1.4
187.11195	4.4
187.13036	0.8
187.14880	2.8
189.09145	3.5
189.11223	11.7
189.12779	2.2
189.16440	2.7
191.10686	2.9
193.10194	1.9
193.12248	3.4
195.11703	4.3
195.13760	1.5
197.09663	3.4
197.11624	1.0
197.13269	4.5
199.11020	1.9
199.14771	6.9
201.12706	5.3
203.10706	1.4
203.14314	2.0
205.12158	5.0
207.11777	2.4
209.13290	2.6
211.11217	2.0
211.14838	2.5
213.12772	2.5
213.14833	1.9
215.14360	3.0
217.15845	13.3
219.08464	1.2
219.13812	2.4
221.13272	2.9
223.13065	4.7
223.15134	1.9
225.12775	2.5
225.16469	1.6
227.12512	4.7
231.13809	4.4
233.15446	2.3
235.14882	1.5
237.12637	1.1
237.16489	1.4
239.14377	4.7
241.15843	1.8
243.13817	2.5
245.15363	2.1
249.14934	4.2
251.16345	3.5
253.15938	2.2
254.17471	1.8
255.17587	4.0
257.15308	5.7
259.17050	2.5
267.15930	3.6
271.16974	3.1
273.14880	2.0
273.18503	2.4
275.16425	3.8
283.17014	1.7
285.18399	2.3
287.16391	2.5
295.17038	1.1
323.23868	2.7
333.22095	3.2
341.24884	6.2
351.23157	26.1
359.25653	1.4
369.24246	48.9
370.24634	2.0
387.25229	22.1
399.25000	1.6
405.26404	4.5
407.25864	3.6
415.28403	1.1
417.26349	2.9
425.26666	5.3
431.27655	2.4
443.27969	43.5
444.28122	1.6
461.28952	100.0
462.29166	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	461.2895
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	5.9
55.01862	12.3
55.05240	2.1
55.05508	40.9
57.03435	8.7
57.07071	2.4
59.04975	1.5
65.03937	4.7
65.53387	1.4
67.05499	56.9
69.03420	6.2
69.07063	22.9
70.06591	2.2
70.08041	8.2
71.04993	5.6
72.08160	3.5
73.02930	1.8
73.60864	1.6
77.03939	2.0
79.05486	54.9
81.03422	12.2
81.07050	60.4
83.04977	9.0
83.08610	20.0
85.02881	4.0
85.06545	5.0
91.05474	46.4
93.03377	1.6
93.07037	46.6
95.04960	49.6
95.08607	29.8
97.02885	2.3
97.06521	6.4
97.10160	19.8
97.10735	2.0
103.05482	5.9
105.04562	1.8
105.07023	47.6
105.07742	3.2
107.04942	18.6
107.08588	31.7
109.02923	1.9
109.06530	9.0
109.10139	16.7
111.04420	1.9
111.08086	3.8
114.10307	1.4
115.05447	5.1
116.06236	2.0
117.07017	24.9
119.04948	4.8
119.08578	26.5
121.06489	25.3
121.07324	2.1
121.10142	14.6
123.04417	3.2
123.08029	9.3
123.11688	2.4
125.09622	19.1
128.06223	5.6
129.06992	20.5
131.04889	7.4
131.08560	30.8
133.06487	12.6
133.10120	15.2
135.08020	8.6
135.11682	9.4
137.05931	2.8
137.09592	3.9
140.03027	1.5
141.07024	9.0
142.07784	3.2
143.08548	18.6
144.49670	1.7
145.06482	25.3
145.10110	17.4
146.07373	1.8
147.08035	11.5
147.11713	7.2
149.09618	7.6
149.13213	9.4
151.07561	5.8
153.07034	1.8
153.09091	2.4
154.07700	1.9
155.08548	12.3
156.09325	1.9
157.06543	4.6
157.10123	14.6
159.08012	12.2
159.11665	11.0
161.09616	7.0
161.13208	2.9
163.07549	1.6
163.11142	8.6
165.06966	2.0
165.09088	6.5
167.07349	1.7
167.08659	4.5
169.10138	8.5
171.08066	5.3
171.10416	1.7
171.11685	8.0
173.09656	5.9
173.13293	4.2
175.07594	2.5
175.11165	3.7
177.12729	9.9
179.08524	2.5
181.10147	6.1
183.08044	1.9
183.11729	6.8
185.09624	3.4
185.13283	5.4
187.11240	4.7
187.14836	3.1
189.09372	2.9
189.11247	12.5
189.12724	2.4
189.16360	2.3
191.10669	4.2
193.10188	2.6
193.12285	5.4
195.11786	3.6
197.09645	2.7
197.11612	1.7
197.13287	6.9
199.11261	3.7
199.14845	6.7
201.12749	5.5
203.14293	2.0
205.12254	6.5
207.11787	2.7
207.13716	2.2
209.13271	2.3
211.11211	2.1
211.14880	3.2
213.12787	3.1
215.14313	3.2
217.15855	13.8
219.13905	1.9
223.13307	5.4
225.12839	3.2
227.12595	4.1
227.14578	1.9
231.13800	3.9
233.15436	1.9
235.14963	2.1
239.14305	2.9
243.13765	3.1
245.15530	3.1
249.14920	4.7
251.16422	2.3
253.15970	2.2
255.17564	2.1
257.15332	8.3
259.17139	2.4
261.14792	2.4
267.15851	3.4
271.16818	1.7
273.14978	2.5
273.18469	3.2
275.16498	4.2
283.16980	2.4
287.16510	1.8
288.94781	1.9
313.18091	1.8
323.23853	3.2
333.22232	2.7
341.24863	6.6
351.23151	26.2
359.25787	1.8
369.24216	53.1
387.25241	24.6
387.29819	2.2
405.26477	4.2
407.25980	3.4
415.28619	2.2
417.26544	2.2
425.26904	5.7
443.27945	45.2
461.28995	100.0
462.29117	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	461.2892
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	9.7
55.01867	13.7
55.05508	50.5
56.96562	2.5
57.03419	9.9
57.07072	4.2
59.04987	4.0
61.02920	3.4
65.03929	5.2
67.05498	84.0
69.03435	14.5
69.07061	33.9
70.06573	5.8
70.12279	11.5
71.04984	8.4
77.03934	2.6
79.05482	69.7
81.03397	15.7
81.07048	84.0
82.06561	10.1
83.04970	10.1
83.08610	24.1
84.04482	3.4
84.08119	5.1
85.02881	5.9
85.06521	8.4
86.09699	41.5
87.10047	5.4
91.05471	74.1
93.07037	64.8
95.04958	60.0
95.08596	51.1
97.02862	5.8
97.06524	10.9
97.10151	27.3
98.21453	2.9
99.08096	3.9
103.05448	7.0
105.03380	3.5
105.07018	57.0
107.04944	19.5
107.08584	42.5
109.02869	5.1
109.06509	11.4
109.10131	25.6
110.06033	5.1
111.04455	4.5
111.08068	6.6
115.05453	7.4
117.07012	30.1
119.04909	6.4
119.08562	40.7
121.06502	29.1
121.10141	21.1
123.04407	4.0
123.08070	16.5
123.11674	10.3
125.05958	3.5
125.09615	25.9
127.03883	3.0
128.06210	8.4
129.06989	29.9
131.04930	10.6
131.08553	40.8
133.06490	18.8
133.10107	21.7
135.08046	17.2
135.11673	14.6
136.07512	4.4
137.05972	13.8
137.09581	12.7
137.13245	3.4
139.07611	2.8
139.08640	4.7
141.06989	9.6
142.07796	3.8
143.08551	25.5
145.06479	29.7
145.10101	18.9
147.08006	17.6
147.11707	14.1
147.12675	2.9
149.05896	2.6
149.09607	17.2
149.13226	11.3
151.07529	26.7
151.11192	5.0
151.13129	3.7
153.06941	3.7
153.09068	4.7
155.08578	16.0
157.06477	9.2
157.10075	17.1
159.06818	3.8
159.08015	16.4
159.11697	20.9
161.09578	9.6
161.13274	5.4
163.07494	5.2
163.11200	13.3
165.09099	69.3
166.09427	6.5
167.07050	8.7
167.08543	3.1
168.09277	3.2
169.10049	13.4
171.08073	11.5
171.10353	2.2
171.11693	11.0
172.08757	9.3
173.09372	11.6
173.13217	8.3
174.09943	3.7
175.11171	7.4
175.14841	3.2
177.00755	2.8
177.09105	7.0
177.12746	10.1
178.12157	3.3
179.06975	2.7
179.08504	3.0
181.10112	7.8
183.08041	4.6
183.11647	10.1
185.09625	7.6
185.13232	7.7
187.07579	3.8
187.11145	7.3
187.14792	4.2
189.09140	6.6
189.11195	12.6
189.12759	6.3
189.16307	3.4
191.10651	8.4
193.12231	6.4
195.11815	4.5
195.14935	9.0
196.09755	4.5
196.15234	13.0
197.09738	3.0
197.13249	7.4
199.11124	5.0
199.14856	12.6
200.10696	3.0
201.09201	3.0
201.10962	5.5
201.12708	3.7
202.09485	3.5
203.14305	2.9
205.12236	8.1
209.13356	3.8
213.12752	3.9
215.14233	4.5
217.15820	19.5
221.13257	4.7
223.11259	2.6
223.13152	5.6
225.12721	3.3
227.12756	9.3
231.13779	5.8
233.15326	3.5
233.62090	2.5
237.16103	5.5
238.16296	5.5
239.14276	5.3
243.10074	3.8
244.10559	5.3
249.14722	4.6
255.13809	2.4
255.17273	4.3
257.15463	9.4
259.17004	4.1
260.12784	17.5
261.12991	29.2
266.15604	3.8
267.15842	5.2
273.18610	2.8
275.16357	5.3
306.13278	5.1
307.13763	5.1
323.23816	3.2
341.24835	4.2
347.15997	4.0
348.16211	10.2
351.23190	30.5
369.24222	55.9
374.21729	7.2
387.25171	22.9
405.26215	3.9
407.26047	5.0
425.26608	5.7
433.25641	3.0
440.18863	6.5
440.68884	4.5
443.27853	54.4
444.28314	3.4
461.29346	100.0
462.29150	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	461.2017
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	8.7
53.34085	4.2
55.01864	23.7
55.05509	33.3
57.03431	32.6
61.02937	6.2
67.05502	66.3
69.03419	22.2
69.07051	16.4
69.53321	19.7
69.53748	19.7
70.06587	21.2
71.01351	6.9
71.04970	8.8
71.06890	4.8
72.08152	10.0
73.02905	9.3
73.87083	3.5
79.05491	59.1
81.03408	48.1
81.07047	50.6
83.04978	15.1
83.08606	23.5
84.04488	6.2
84.08116	7.9
85.02892	42.9
85.06549	4.7
86.09718	8.2
91.05470	84.8
93.03397	6.3
93.07033	43.7
95.01324	37.6
95.04964	39.3
95.08598	30.9
97.02888	19.3
97.06557	9.9
97.10130	24.4
98.00630	9.5
98.20740	10.1
101.02361	9.2
103.05447	7.2
105.07018	40.4
107.04965	33.6
107.08579	30.2
109.02861	13.8
109.06524	14.1
109.10138	25.3
111.00769	6.4
111.04433	9.7
111.08055	6.0
112.02164	6.0
113.00583	5.7
113.02374	7.4
114.03745	75.7
115.05456	8.4
116.01680	9.3
116.07095	5.8
117.07013	21.2
119.04926	15.1
119.08570	29.8
120.08080	5.7
121.02852	11.3
121.06484	20.7
121.10148	14.2
123.04435	18.3
123.08072	9.7
125.02335	26.0
125.06004	6.4
125.09639	17.0
127.03922	8.4
129.06982	22.3
131.04912	18.8
131.08557	26.6
133.06479	18.4
133.10107	29.1
135.04428	16.3
135.08046	14.0
135.11678	9.0
136.11180	5.4
137.02332	7.1
137.05962	11.0
137.09605	12.2
139.03896	6.7
140.07086	4.7
141.01836	9.5
141.05443	7.8
141.06992	8.5
142.08652	15.3
143.08664	10.9
145.06468	10.2
145.10110	15.8
147.04390	29.1
147.07991	9.4
147.11658	15.6
149.05966	11.8
149.09612	15.8
151.03920	36.5
151.07523	5.6
153.05476	5.3
153.09094	6.9
155.08530	7.7
157.06488	8.4
157.10126	16.6
159.08104	9.5
159.11626	14.0
161.05965	15.8
163.03928	15.4
167.07060	5.2
167.10582	5.4
169.05128	5.0
169.10152	6.8
171.05836	10.2
171.11774	9.9
173.05974	10.4
173.09564	5.8
173.11760	13.1
175.03880	11.3
175.07603	7.9
175.11169	24.5
177.05461	17.3
177.12750	8.0
185.09587	6.0
187.11212	12.2
189.05522	6.5
189.11134	7.0
189.12753	7.3
193.12184	25.6
195.10165	69.8
195.11807	7.7
199.11169	9.1
201.05565	5.2
203.10625	7.2
205.12219	4.5
211.13300	15.6
213.11212	47.1
213.14795	16.9
215.10680	6.5
217.06654	5.8
217.12201	8.8
225.12616	5.0
227.10631	5.1
233.11670	8.5
235.05823	5.4
238.12502	8.2
239.12848	6.1
241.12015	5.8
243.10129	7.6
245.11668	9.4
249.14445	5.3
251.12825	7.1
253.12152	8.4
255.10265	6.5
259.13242	9.0
261.11157	10.9
261.14832	7.2
266.12082	50.9
267.10281	4.7
267.15924	9.2
269.11612	5.5
271.10599	5.8
271.13272	11.2
277.14380	8.8
284.12991	8.2
287.12781	27.0
289.14355	19.9
291.12274	7.2
294.11578	29.3
297.13336	10.5
299.10376	12.9
305.13779	26.6
315.12219	18.6
323.05316	9.4
323.14774	30.6
333.13242	41.9
340.15759	6.4
341.15295	23.0
351.14340	75.3
352.14828	6.1
353.06543	10.9
357.08621	4.7
369.15234	19.1
387.16049	5.2
399.19983	6.2
407.07291	9.5
407.16888	16.9
425.17911	52.8
425.23392	13.3
442.54413	4.8
443.19034	100.0
461.09592	10.0
461.20044	60.4
461.25571	8.8
461.31134	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	461.1948
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	2.6
55.01871	4.3
55.05507	24.6
56.05026	1.4
57.03438	3.6
57.07079	0.9
58.99583	3.2
65.03942	1.2
67.05501	16.1
68.05021	1.5
69.03426	5.6
69.07064	6.5
69.71648	6.3
70.06593	3.6
71.04983	2.1
72.08156	3.2
74.00655	7.2
76.02213	1.6
79.05489	15.3
80.05013	2.6
81.03413	5.9
81.05788	4.4
81.07053	13.8
83.04973	3.6
83.08628	9.6
84.04485	1.4
84.08135	2.2
85.02911	6.1
85.06541	1.5
86.00648	2.1
86.09721	1.4
86.99052	2.3
87.00807	1.2
88.02203	7.2
91.05476	14.1
93.07037	9.1
95.04962	2.7
95.08602	6.3
97.01122	2.3
97.02886	2.6
97.06561	2.3
97.09619	0.9
97.10164	25.3
98.00626	9.0
98.09712	1.4
99.01420	2.1
99.04423	1.1
100.02218	2.5
100.11268	1.8
101.06040	1.1
103.05476	2.6
105.07011	4.7
107.04936	3.5
107.08586	12.8
109.02880	3.8
109.06546	2.2
109.10143	7.1
111.08074	1.1
112.02177	12.8
113.00583	4.2
114.03745	100.0
115.04098	1.5
116.01672	11.8
117.07008	2.9
119.08563	3.1
121.06493	1.1
121.10153	2.5
123.08116	1.4
125.09616	17.8
126.03748	2.2
127.03915	3.6
130.05023	1.8
131.04913	3.5
131.08528	1.3
133.06516	0.9
133.10130	4.0
135.08069	5.3
135.11702	3.0
137.05957	2.6
137.09639	2.3
137.48109	0.9
140.01649	4.1
143.06360	1.9
143.08595	1.3
143.10674	1.1
143.34320	0.9
144.01157	1.8
145.04906	1.2
145.10124	3.2
147.11711	1.6
149.09612	1.8
153.09114	2.1
157.10170	1.4
159.02928	1.1
159.11703	1.3
162.02168	1.2
162.05466	1.3
163.11153	1.8
165.01854	2.0
165.09085	2.5
167.06985	1.8
168.02345	0.9
169.04312	2.8
171.05865	8.7
171.10143	1.2
173.09637	2.0
173.13222	1.3
177.16411	2.7
181.01161	1.0
189.09357	1.7
189.11226	8.1
191.10678	1.9
193.04739	1.3
195.08362	2.1
195.17461	1.3
197.13423	0.9
210.15004	1.5
215.04839	5.5
216.05228	3.3
217.06480	4.9
220.11546	1.2
223.07893	2.3
226.14377	1.6
227.12729	2.6
238.12596	10.3
240.10509	1.3
248.11012	6.7
248.18298	1.2
266.12088	65.8
267.12418	2.3
278.12018	1.0
284.13116	10.1
294.11536	40.1
295.06046	1.1
295.11835	2.1
295.14850	1.2
299.05566	3.7
305.29120	0.9
312.12781	1.0
314.14212	1.4
323.14255	9.4
340.15692	5.7
341.15268	32.3
351.13760	5.1
358.16824	7.9
368.15298	2.4
369.14847	7.3
386.16220	1.6
387.15848	1.6
397.17587	1.5
415.18982	3.2
425.17349	6.8
429.16940	1.0
443.18457	19.0
444.18903	1.6
461.19672	27.9
461.25977	1.4
461.37305	1.3
462.20181	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1896
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35593	0.5
53.03909	1.1
55.01833	2.6
55.05487	0.7
57.03408	1.6
60.44129	0.6
61.02879	2.7
61.22439	0.6
63.39807	0.5
65.03899	0.7
67.05476	1.4
69.03419	6.1
70.06549	2.2
71.64929	0.6
71.65251	0.7
72.06188	0.6
72.08115	1.5
73.02863	1.7
79.05495	6.3
81.03400	3.1
81.07018	1.5
83.01288	0.6
83.08560	0.7
84.04440	0.7
84.08092	1.0
85.02893	8.6
86.09682	4.3
87.04441	1.4
91.04934	1.0
91.05470	12.7
93.03378	0.8
93.06975	1.9
95.01305	1.4
95.04903	2.1
95.08573	0.8
97.02902	3.8
99.04420	0.6
103.04854	0.7
103.05456	8.3
105.03336	0.9
105.06979	2.1
106.06549	8.7
107.04941	10.6
109.02834	1.5
109.10141	0.9
115.05457	0.7
117.05742	3.9
117.06980	1.0
118.06535	3.4
119.07297	0.7
119.08597	0.7
120.08092	53.4
121.02757	0.9
121.06499	0.9
121.08430	0.7
121.10091	0.9
123.39576	0.7
127.03851	1.9
129.06915	0.9
130.06516	9.4
131.04883	5.7
131.05991	2.9
131.08472	0.6
132.06818	10.1
132.07887	1.2
133.07632	5.3
135.04376	1.0
137.02354	4.9
144.06508	0.8
145.07562	0.9
147.04373	0.9
147.09105	1.8
148.07530	1.4
149.05930	2.3
149.09518	0.7
151.03879	1.3
157.10088	0.8
159.11588	0.8
161.02284	1.3
163.03903	1.0
166.08604	6.4
167.44739	0.6
173.11568	0.7
175.11099	0.8
176.01056	0.7
176.07072	1.3
179.03363	1.6
189.01888	2.8
191.03345	2.9
193.12283	0.9
205.04926	0.8
207.02884	1.9
208.11183	2.7
217.08684	0.7
218.09679	3.8
219.02855	2.7
235.12262	19.9
245.04427	0.7
253.13419	4.7
254.11714	2.2
261.14401	0.6
281.12808	6.3
283.05887	0.8
289.14371	0.7
294.04840	0.6
295.06024	0.8
296.06686	0.7
297.07434	1.5
299.05255	1.7
299.13867	100.0
300.06232	0.7
300.14148	4.3
310.04636	8.5
311.05350	4.1
312.05997	0.9
313.06976	1.3
314.07556	0.8
319.66473	0.6
323.05478	13.3
323.09113	0.6
324.06027	3.6
325.06952	3.4
329.06296	1.3
333.13150	0.8
335.05438	2.3
337.06909	2.2
338.12402	0.7
341.06503	5.2
349.06757	0.9
351.09241	0.6
351.14215	3.1
352.05865	0.9
353.02094	1.0
353.06516	20.4
354.07010	1.4
361.06787	0.8
365.06757	0.6
367.08090	2.0
369.15549	0.7
371.07620	6.9
379.07950	2.7
383.07480	2.3
395.07596	6.5
407.07523	7.9
408.07944	0.9
414.69141	0.6
425.08746	10.3
425.18060	2.3
426.09027	1.0
443.09747	13.2
443.19260	2.5
444.09924	2.3
461.11377	2.2
461.19171	49.1
462.19415	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1948
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13886	1.1
53.03935	3.7
55.01860	6.3
55.05508	24.4
56.59098	0.9
57.03426	2.8
57.07078	1.4
58.67422	1.1
58.99582	2.3
59.04998	1.9
61.02922	2.6
67.05499	15.6
69.03426	8.1
69.07070	9.8
70.06583	3.2
71.04976	4.0
71.73788	1.5
72.08147	1.8
73.02913	1.8
74.00648	7.1
76.02211	1.6
79.05494	14.3
80.05007	2.2
81.03407	5.8
81.05785	3.9
81.07040	15.3
83.04967	4.0
83.08613	10.8
84.04479	1.5
84.08123	1.4
85.01123	1.2
85.02899	11.3
85.06531	4.5
86.00646	2.3
86.09685	1.7
86.99038	2.3
87.00804	3.8
88.02211	6.4
91.05486	6.6
93.07045	8.6
94.06541	1.4
95.04948	2.7
95.08595	7.7
95.67794	1.0
97.01103	2.6
97.02880	4.3
97.06507	1.3
97.09586	1.8
97.10165	26.6
98.00637	12.1
99.01424	2.4
99.04449	1.6
99.08064	3.5
100.02202	3.3
103.05481	1.6
103.07588	2.2
105.01848	2.1
105.07019	4.1
107.04922	2.9
107.08591	13.7
109.02863	6.1
109.06523	2.1
109.10162	6.3
112.02172	12.3
113.00579	3.9
113.09673	1.4
114.03745	100.0
115.04073	1.7
116.01670	11.0
117.01812	1.2
117.07057	2.2
119.08595	3.7
121.10124	6.4
123.11701	1.5
124.02128	1.3
125.09627	15.2
126.03712	1.9
127.03885	8.2
130.04973	1.4
131.08540	2.0
133.10130	1.8
135.08028	1.7
135.11668	3.6
137.05966	2.0
137.13228	2.5
139.11139	1.4
140.01627	4.5
145.04974	3.4
145.10077	2.1
151.07483	1.4
153.09140	1.5
153.12782	2.2
156.84546	1.3
157.10051	1.3
159.02875	2.7
159.11696	1.6
162.02113	1.7
163.11177	1.6
165.09096	1.6
167.07077	1.4
169.04227	2.2
169.10098	1.7
171.05817	6.3
171.10257	1.7
177.16354	7.7
189.11143	8.2
190.60233	1.1
191.10657	1.5
195.08344	2.5
195.17442	8.3
213.18526	5.2
215.04852	5.8
216.05176	3.1
217.06407	4.6
223.07802	1.7
227.12854	2.4
231.04817	1.2
238.12619	10.6
248.10979	5.9
266.12091	61.5
267.12329	1.6
271.10706	1.4
284.13165	8.4
294.11563	35.5
299.05472	1.7
311.05600	1.3
323.14233	9.6
333.12576	1.4
340.15561	8.0
341.15234	24.9
351.13907	7.3
353.06393	1.2
358.16797	2.9
368.15390	2.1
369.14752	6.3
379.08359	1.3
387.15765	4.6
397.17938	2.6
415.18839	2.8
425.08813	1.5
425.17383	10.0
443.18518	27.5
461.19574	11.1
461.25043	1.9
461.30817	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.0921
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	10.6
54.30536	0.6
55.01867	5.4
55.05497	2.6
55.22612	0.7
57.03432	7.2
61.02907	4.0
64.36247	0.6
64.91601	0.7
65.03962	0.8
67.05482	2.7
68.99782	11.1
69.03423	37.5
69.07053	0.7
69.59390	6.1
70.06595	3.8
71.01336	2.4
71.04660	0.8
71.04987	8.5
71.23632	0.8
72.08125	1.2
72.65144	0.7
73.02911	4.2
79.05466	1.4
81.03409	53.5
82.52174	0.7
83.01313	1.2
83.04993	4.6
84.04503	0.7
85.02896	66.5
86.09702	3.4
87.00823	17.5
87.09988	0.8
91.05459	3.5
95.01289	0.9
95.04957	3.6
97.02881	21.1
99.04447	20.2
99.39031	0.8
103.03938	4.6
105.01862	4.3
105.07070	0.9
107.04978	1.6
107.11885	0.9
109.02866	45.5
110.07160	0.7
111.00791	1.6
111.04442	6.2
113.02367	1.1
115.03866	0.8
119.04958	0.9
120.08091	1.7
121.02863	1.9
123.03654	0.9
123.04395	4.7
125.02363	3.3
127.03902	100.0
128.04254	1.1
129.01808	3.6
133.06514	0.7
135.04399	1.7
136.07632	0.8
137.02307	1.1
137.05966	1.8
139.03880	2.3
141.01921	0.7
141.05420	1.0
145.04938	4.8
147.02852	2.0
147.04340	1.5
149.02446	0.8
151.03906	4.0
153.01825	1.8
154.26866	0.7
155.03441	1.1
159.02905	1.5
161.05940	1.5
163.03883	1.7
165.05432	1.3
167.10667	1.9
169.04973	2.3
171.02884	9.4
173.04417	1.0
175.03838	0.9
181.04985	0.9
187.06010	4.7
189.03926	18.4
189.05431	1.7
191.03375	1.2
193.04945	0.9
195.02861	1.5
199.43835	0.9
205.05020	1.1
207.06503	1.1
213.01897	0.9
213.03917	15.3
217.04915	2.5
231.05013	6.2
235.05988	3.4
253.07114	2.6
255.05016	3.4
273.06030	0.9
279.05872	0.9
280.06171	0.8
299.13715	1.1
311.08435	0.8
321.06226	1.6
322.07950	0.7
323.08374	1.9
339.07138	5.2
341.09311	1.6
357.08136	2.0
375.09360	1.3
425.06915	1.7
443.07974	3.4
461.09125	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.0917
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03739	1.0
53.03943	10.5
53.15295	1.0
55.01862	6.4
55.05503	2.1
57.03430	9.5
61.02915	4.4
63.66215	0.8
65.03939	1.3
67.05500	2.9
68.99788	12.3
69.03425	46.5
69.79922	7.2
70.06580	4.3
71.01343	3.3
71.04979	8.0
72.08146	3.1
73.02904	4.3
79.05488	2.6
81.03410	65.8
81.07078	0.9
83.01325	2.2
83.04977	6.7
84.04465	1.2
84.08129	3.8
85.02899	83.7
85.48557	0.9
86.03294	0.9
86.09703	6.0
87.00318	2.0
87.00823	22.8
87.04443	1.0
91.05473	4.1
95.01305	1.4
95.04954	3.1
97.02886	26.6
99.04449	20.1
101.02390	1.8
103.03947	5.7
103.05438	1.6
105.01821	5.3
105.07001	1.3
106.06578	1.1
107.04952	3.6
109.02870	53.9
111.00761	1.7
111.04430	6.9
111.27643	1.0
113.02368	2.4
117.01834	1.1
119.04929	1.3
120.08121	6.1
121.02885	2.3
123.04433	6.2
125.02348	5.5
127.03904	100.0
129.01831	4.6
129.05565	1.2
129.10263	1.6
131.04906	1.9
132.06880	1.0
133.06424	1.3
135.04436	1.9
136.07581	1.4
137.02344	2.1
137.05971	1.8
139.03899	1.9
141.01805	1.8
145.04926	5.3
147.02887	1.5
147.04398	2.2
151.03908	6.9
159.02922	1.6
161.05962	3.3
163.03918	2.8
165.05482	2.8
167.03348	1.6
167.04651	1.0
167.54994	1.0
169.04948	3.5
171.02887	13.3
173.12848	1.8
175.03909	1.5
177.05399	1.4
181.05002	2.0
187.05974	5.2
187.10730	1.0
189.03928	18.2
189.05492	2.2
191.03384	1.5
193.04980	4.0
195.02835	1.0
196.79814	0.9
201.12250	1.3
205.04988	1.1
207.06453	1.5
213.03926	15.5
217.04958	2.6
231.04973	4.1
235.05853	6.0
235.12257	2.0
253.07121	2.7
255.05095	2.3
271.08023	1.6
299.13922	8.2
321.06189	2.0
328.67804	1.0
339.07034	5.2
357.07922	1.7
357.64691	0.9
407.06403	1.0
417.12524	2.1
421.35971	1.1
425.07828	2.1
443.08224	4.6
460.35349	2.0
461.10974	4.2
461.19205	3.9
467.62747	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.3265
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	6.7
55.01866	12.3
55.05502	11.2
57.07074	4.0
67.05499	51.9
69.03422	24.2
69.07059	17.6
70.56944	17.1
71.04979	10.8
71.84314	3.9
73.02901	6.6
76.47901	4.6
79.05476	11.4
81.03417	33.8
81.07055	48.5
82.88796	4.1
83.08625	12.0
85.02898	8.8
91.05463	12.0
93.07030	11.9
95.08591	38.4
97.02886	29.0
97.10167	8.5
98.37058	4.3
99.04436	49.0
105.07029	10.0
107.08584	12.8
109.02885	34.0
109.10146	11.5
119.08585	10.6
121.10117	6.4
123.11678	5.7
126.49402	3.5
127.03005	7.4
127.03901	100.0
127.22250	4.3
133.10114	4.8
135.11607	4.9
137.13235	6.4
145.04933	17.9
147.11723	4.9
151.07521	15.4
180.20320	4.3
211.77029	5.0
245.22530	8.8
263.23737	23.4
407.27820	8.5
425.28842	18.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.3266
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	4.6
55.05509	22.7
55.95510	5.3
57.03407	8.0
57.07053	6.4
59.26620	4.4
64.88411	3.8
65.03945	6.1
67.05499	84.4
69.03410	21.3
69.07055	26.5
69.88685	22.6
69.89097	9.3
79.05473	27.7
81.03399	26.0
81.06606	6.6
81.07049	100.0
83.08607	17.6
85.02890	19.7
91.05471	22.1
91.64257	4.3
93.07035	40.0
95.04952	6.2
95.08599	72.6
97.02863	15.5
97.06503	8.2
97.10151	10.7
98.20791	8.8
99.04464	6.0
99.08090	6.1
105.07041	22.9
107.08554	19.1
109.10136	27.9
111.04435	6.6
117.06959	6.7
119.08533	16.0
121.10114	19.2
123.11676	17.7
131.08563	12.7
131.69299	4.0
133.10132	13.1
135.11679	13.4
137.13213	5.5
143.08551	5.9
145.04935	9.0
147.11679	6.5
149.13240	7.9
159.11607	5.6
161.13255	8.7
163.14816	7.0
173.13329	8.5
175.14810	8.1
181.47652	4.8
193.01941	4.8
233.23033	4.8
245.22626	9.5
263.23639	37.0
291.23065	5.8
293.24710	4.8
305.24680	9.2
317.24649	6.8
371.25781	26.7
389.26767	19.9
407.27927	18.1
425.28961	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	460.3265
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11314	7.4
53.03940	12.2
55.05503	31.2
57.07059	11.9
58.39246	7.6
62.58406	7.4
67.05494	88.7
69.03417	48.9
69.07067	36.5
71.04998	7.7
71.08627	10.9
71.36797	14.8
79.05497	41.1
81.03396	71.6
81.03718	6.9
81.07047	100.0
83.08609	22.6
85.02890	23.2
87.04475	13.5
89.05978	8.3
91.05473	36.0
93.07040	56.1
95.04940	11.8
95.08605	65.1
97.02871	29.2
97.10160	21.2
98.02517	8.8
99.04436	12.8
105.07014	26.7
107.08596	30.4
109.02886	23.8
109.10154	33.4
114.55262	6.9
114.63104	8.4
119.08586	16.4
121.10122	28.0
127.03926	22.0
131.08549	20.4
137.13268	7.6
145.10071	8.4
151.07593	23.7
152.07852	7.5
161.13275	11.8
163.14925	10.3
170.96144	7.3
175.14796	9.4
177.55635	8.0
227.20029	36.0
263.23706	15.6
315.38898	7.7
353.24976	16.2
371.25757	28.1
389.26752	22.9
404.20612	8.5
407.27927	28.9
461.66763	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	460.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46717	0.5
55.05505	8.3
57.05810	0.9
58.72413	0.6
69.03417	1.0
70.06563	0.9
71.13270	0.9
72.08148	100.0
73.02917	0.4
73.08479	1.3
74.14571	0.5
85.02906	2.8
97.02891	1.4
98.21439	0.6
118.08645	74.4
119.09006	1.0
127.03918	2.1
145.04980	1.6
163.06018	0.6
203.92967	0.5
304.95880	0.7
321.99689	0.6
373.31467	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.5
55.01853	2.0
55.05512	8.4
56.96545	1.7
57.03424	2.0
57.05778	1.5
57.07066	1.1
61.02913	1.3
67.04245	2.2
67.05497	8.2
68.53971	1.0
69.03408	3.7
69.06693	1.4
69.07056	22.5
69.89443	3.1
69.89863	4.2
70.06571	3.3
79.05471	7.7
80.04983	1.0
80.05807	1.2
81.03420	2.6
81.07050	9.9
82.06570	23.9
83.04962	3.0
83.08604	3.0
84.08126	8.6
85.02892	3.2
86.09696	97.6
86.86163	1.1
88.02202	2.6
91.05473	8.0
93.07038	9.9
94.06554	2.8
94.30499	1.0
95.04962	6.1
95.08605	6.4
96.05316	1.4
96.08128	2.6
96.08900	1.2
97.06515	1.9
97.10144	3.9
99.04449	1.2
100.07640	2.1
105.07017	6.4
106.07362	1.3
107.04936	3.7
107.08585	3.9
108.08086	1.7
109.02785	1.6
109.06507	1.6
109.10145	6.7
110.06028	16.0
111.04441	1.5
112.11217	1.6
117.07015	2.8
119.04922	2.9
119.08591	3.3
120.08098	1.8
120.08923	2.0
121.06496	4.1
121.10126	4.4
123.08031	2.0
123.11684	2.0
124.07574	3.6
124.61597	1.4
125.09634	1.6
127.08679	7.1
129.06981	6.9
131.04897	1.3
131.08560	5.0
133.06470	1.8
133.10115	4.1
134.02713	1.7
135.08000	1.4
135.10434	1.5
135.11682	2.9
136.07535	10.2
137.05965	8.7
137.09579	4.3
138.09920	1.5
139.08646	9.8
141.06966	1.8
143.08537	3.5
145.06442	4.6
145.10063	2.8
147.04359	1.8
147.08051	2.0
147.11690	2.4
149.08284	1.1
149.09544	2.7
150.12784	13.8
151.07475	3.4
155.08554	3.6
157.06468	9.1
157.10074	3.4
158.07187	1.4
159.07997	2.1
159.11662	2.0
162.05476	1.5
165.09064	17.3
166.09422	8.9
169.09856	2.1
171.08018	4.8
172.08809	36.7
173.09583	7.3
175.14754	1.6
177.09091	3.2
178.12253	9.7
179.07018	6.6
183.08061	6.4
185.09566	2.3
189.11145	1.4
191.10667	1.7
195.14908	44.0
196.09694	12.1
196.13242	1.4
197.13203	1.5
200.10670	21.9
201.09071	13.1
203.10660	3.8
219.14836	3.7
222.11176	1.5
223.14343	3.1
228.10170	2.6
229.08577	2.8
237.02785	1.4
237.15962	33.6
243.10181	18.0
246.11317	6.6
247.09663	5.5
260.12802	100.0
261.13174	2.4
262.14359	3.0
265.15457	7.9
288.12128	1.4
289.10663	4.5
306.13330	20.5
313.18936	1.5
315.07602	1.5
319.16513	3.8
344.43451	1.2
347.15976	28.0
347.20154	1.4
369.24438	1.9
373.21179	15.5
378.85397	1.2
400.22238	2.6
400.53772	1.2
418.23386	5.9
419.21591	5.6
432.25024	6.5
440.18784	6.5
440.68723	1.4
443.27713	2.2
460.24298	31.3
460.69925	1.5
461.28830	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	460.181
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	7.3
55.01868	10.2
55.05494	5.1
57.03424	6.1
60.04508	2.4
61.02908	5.3
67.05487	7.7
68.99771	1.6
69.03428	23.6
69.07038	3.7
70.06569	4.5
71.04972	4.8
71.73681	2.9
72.08141	2.6
73.02923	8.1
79.05470	6.3
81.03409	26.1
81.07055	10.3
82.07389	1.8
83.04967	2.7
84.08160	2.1
85.02383	3.8
85.02898	68.2
85.06512	1.8
86.09699	4.3
87.00817	25.8
87.10008	1.9
91.03919	3.4
91.05472	6.8
93.07033	7.7
95.04956	4.0
95.08599	7.9
97.02884	27.7
99.04443	14.2
105.01855	23.6
105.07001	9.7
107.04937	28.4
107.08567	5.9
108.04461	7.5
109.02865	25.5
109.06498	2.2
109.10114	6.0
110.10497	1.8
115.03928	1.7
117.07021	3.0
119.08564	3.9
120.08088	2.2
120.08935	1.9
121.10152	2.5
123.08098	1.9
123.11686	3.3
126.05518	2.5
127.03030	3.4
127.03909	48.1
129.01819	3.2
131.08534	1.9
133.10126	3.9
135.08047	9.8
137.05992	3.5
137.09599	6.1
145.04959	21.2
145.06197	2.0
145.06523	1.7
147.02850	3.0
149.09579	2.9
151.07565	6.0
152.80324	1.9
153.12640	1.7
159.02885	16.5
161.69637	1.7
163.07520	29.3
165.09114	38.1
166.09428	14.6
167.07002	12.1
175.14848	1.8
179.10748	1.8
187.07520	2.7
189.03964	3.2
191.10590	2.4
195.10155	100.0
196.10457	2.5
205.12137	3.0
207.10199	4.5
213.03923	2.0
213.11230	7.9
230.06509	2.5
231.04984	7.7
237.11296	2.8
247.09399	1.9
248.07707	5.0
266.08444	2.1
280.15936	2.2
303.11987	2.6
313.06970	2.5
314.07339	4.5
460.27118	2.1
474.26410	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.1445
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	5.5
55.01855	1.1
61.02905	0.8
65.03942	3.1
67.01846	1.0
68.99785	1.3
69.03421	13.0
69.94385	2.9
70.06578	1.4
71.04980	2.5
73.02906	1.4
73.71142	0.8
81.03407	21.1
85.02895	7.4
86.09702	1.4
87.00818	10.5
91.05470	100.0
92.05801	1.5
97.02882	13.1
99.04443	5.1
105.01860	7.5
109.02868	32.4
111.68261	0.6
117.01795	0.7
123.81739	0.6
127.03902	53.6
129.01831	2.0
129.06982	1.7
137.05995	0.6
142.84372	0.6
145.04961	2.8
145.06488	1.6
147.02802	1.1
159.02888	3.9
171.08081	2.1
175.07458	1.3
177.05397	0.7
181.06531	1.6
186.69501	0.6
192.14421	0.6
199.07565	2.5
213.03932	10.1
217.08678	1.7
231.04997	10.4
297.62250	0.6
299.04031	2.6
303.08865	0.9
317.05066	5.9
335.06110	2.2
436.46964	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.1825
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76529	1.3
53.03942	7.6
55.01615	1.6
55.01860	7.1
55.05505	1.8
57.03422	4.3
60.04516	2.9
61.02908	5.2
67.05499	1.5
68.99776	4.4
69.03088	2.5
69.03425	26.8
69.57847	12.1
70.06564	4.4
71.04968	3.4
72.08140	2.7
73.02915	10.9
78.72163	1.4
79.05458	2.2
81.03409	28.2
84.04484	2.3
84.08134	2.8
85.02897	75.4
86.09687	2.9
87.00320	2.5
87.00821	30.0
91.03960	2.8
91.05467	2.0
95.04941	2.1
97.02880	32.2
99.04443	14.0
103.05450	6.5
105.01860	31.4
105.07001	3.3
107.04936	7.7
108.04433	9.2
109.02861	28.6
110.62003	1.4
111.04425	2.5
115.03839	1.6
115.05434	2.1
116.98621	1.9
117.01825	2.6
119.08522	1.7
120.08096	1.9
125.59111	1.4
126.05478	4.6
127.03901	55.2
129.01837	1.9
131.04889	3.8
135.04422	2.3
135.08070	7.9
135.08928	1.4
137.02318	5.8
137.05991	9.7
138.02696	2.8
138.06276	2.0
139.02881	1.6
139.03888	4.5
145.04965	24.4
147.02814	3.4
154.06236	34.8
159.02873	15.4
163.07527	27.8
165.01804	2.9
167.07031	1.9
175.07516	2.3
176.07936	1.9
183.02879	2.1
188.07884	1.9
195.10149	100.0
196.10477	3.6
207.02879	1.9
213.03931	4.0
230.06604	3.5
231.04919	8.6
248.07607	6.3
266.08777	1.6
271.61234	1.5
285.06644	1.8
288.05426	2.7
289.05975	2.0
299.05505	9.8
300.05838	11.8
301.06070	22.0
302.06793	3.1
311.05325	1.7
312.05856	2.6
313.06146	8.0
314.07327	2.1
315.07526	3.6
323.12152	1.6
325.06149	4.1
329.06381	2.0
330.06766	2.2
331.06998	5.1
339.04004	3.5
341.05612	2.5
343.07092	1.9
351.07431	3.5
353.05826	2.0
362.08994	2.0
379.06906	2.9
380.06622	7.7
396.09885	1.4
397.08267	1.9
404.07471	2.6
406.08191	22.9
407.06564	12.4
415.09567	3.5
422.08655	4.5
424.03409	2.7
424.09265	54.3
442.10361	27.5
452.35239	1.6
460.10846	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	460.1444
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	4.4
54.91063	0.5
55.01859	1.1
57.03436	0.9
65.03933	3.2
67.01845	1.5
69.03421	12.4
69.73415	4.0
70.06588	4.1
71.04970	2.7
72.08155	1.3
73.02932	0.7
81.03413	21.3
81.07072	0.8
84.08150	1.2
85.02901	9.1
86.09700	3.9
87.00817	9.4
91.05471	100.0
92.05813	2.4
97.02883	47.6
99.04444	5.1
103.05398	0.8
105.01854	8.6
109.02872	25.4
109.03629	1.4
110.07194	0.9
111.04411	0.7
115.03841	0.7
120.08102	1.0
126.05492	0.7
127.03904	61.6
129.07007	1.0
131.04941	1.6
136.07524	0.9
137.05992	1.2
145.04919	3.1
145.06497	1.7
151.07541	0.6
159.02878	2.9
162.05501	1.6
171.08083	1.2
177.05460	0.9
199.07494	3.0
213.03909	10.4
217.08611	1.4
231.04990	15.3
299.04083	1.7
317.04959	6.6
321.09906	1.0
335.06149	2.8
340.58774	0.7
460.10181	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2736
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	3.9
55.01869	15.3
55.05503	72.9
57.03425	6.5
57.07071	2.6
59.05007	2.4
65.03925	4.7
67.05131	3.6
67.05496	61.7
68.05956	1.7
69.02763	1.6
69.03411	6.3
69.07061	20.7
71.75280	3.5
79.05018	3.6
79.05483	64.9
80.46991	2.3
81.03405	5.2
81.07047	43.7
83.04976	5.4
83.08611	31.8
84.08112	2.0
85.06518	3.2
91.05469	55.9
93.07032	26.9
95.04951	8.7
95.08585	16.9
97.06522	3.8
97.10157	56.4
103.05452	24.2
105.03361	4.3
105.07020	37.0
107.04931	7.4
107.08581	30.9
109.06509	4.3
109.10157	11.8
111.08037	2.1
115.05449	14.6
116.06232	3.4
117.06999	59.6
119.04881	2.3
119.08564	19.8
120.07986	1.8
121.06483	5.0
121.10117	5.7
123.08028	3.8
123.34064	1.8
125.09621	45.8
128.06224	7.0
129.06992	33.4
130.07819	2.0
131.04932	7.8
131.08551	45.6
133.06474	13.7
133.10120	7.0
135.08028	12.8
135.11688	3.0
137.09579	2.0
141.06979	15.5
142.07765	2.3
143.08554	19.4
143.10614	2.1
145.06454	19.7
145.10118	18.8
147.08028	5.2
147.11717	3.0
149.09631	6.5
153.06978	3.2
153.09073	5.6
154.07727	2.2
155.08530	21.8
156.09360	2.8
157.06474	5.5
157.10088	9.5
159.08102	4.2
159.11702	7.6
165.06958	2.5
167.08563	5.8
169.06491	2.0
169.10126	12.5
171.08047	5.0
171.10248	4.0
171.11700	7.3
173.06000	1.8
173.09581	3.2
173.13261	3.6
181.10120	6.7
183.08022	2.3
183.11659	3.9
185.09587	2.8
185.13263	6.0
187.11250	2.2
187.14804	16.8
189.11198	35.5
193.10184	2.7
195.11703	5.4
197.09712	1.7
197.13223	20.8
199.11127	3.2
209.13228	4.2
211.14883	2.3
213.12755	6.3
215.14293	100.0
216.14584	3.4
221.13210	2.6
223.11073	3.4
225.12767	2.2
227.12724	34.3
227.14723	2.3
231.13820	3.4
233.13187	2.1
233.15356	4.4
241.12199	6.4
253.15976	2.3
255.13902	3.3
259.13318	4.7
269.15353	3.0
271.17017	7.1
273.14969	2.8
275.16470	2.0
289.17978	2.9
321.22250	3.7
339.23080	9.0
349.21655	15.9
357.24225	3.0
367.18152	3.3
367.22653	43.2
385.23691	27.9
403.20163	2.9
403.24664	12.9
419.29352	1.8
423.25140	2.6
440.98615	1.7
441.26331	58.3
442.26642	2.2
459.27353	84.1
460.27713	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	459.2736
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35731	1.1
53.03935	3.6
55.01864	9.8
55.05509	50.6
57.03424	4.8
59.04954	1.2
65.03928	2.5
67.05500	42.2
69.03423	3.9
69.07068	14.8
69.53847	11.7
71.05003	2.8
79.05486	48.3
79.49915	1.1
81.07052	34.8
83.04970	5.7
83.08160	2.4
83.08614	26.2
85.02889	1.2
91.04921	2.3
91.05476	42.6
91.06042	2.8
93.07044	19.7
95.04965	5.4
95.08604	12.5
97.06551	2.5
97.10163	49.5
103.05459	23.3
105.03390	3.5
105.07020	30.2
107.04955	7.5
107.08582	22.3
109.06507	5.4
109.10148	9.9
111.08058	3.1
115.05447	13.0
117.07006	52.0
119.04962	2.0
119.08572	16.8
120.85023	1.2
121.06521	3.5
121.10128	5.9
123.08062	4.6
123.46030	1.1
124.46029	1.1
125.09621	43.8
128.06235	5.5
129.06995	26.5
130.07756	1.4
131.04922	3.1
131.08560	39.9
133.06464	9.1
133.10110	4.8
135.08046	12.1
137.09630	2.4
141.06976	12.6
142.07767	2.2
143.04962	1.9
143.08565	13.8
143.10629	2.5
145.06471	13.5
145.10112	14.2
147.08066	4.7
147.11693	2.0
149.09624	4.7
153.06973	2.6
153.09138	3.5
153.62141	1.3
154.07869	1.5
155.08562	15.0
156.09340	2.0
157.06485	5.0
157.10133	5.7
159.08034	4.9
159.11697	4.5
163.11253	2.2
165.07076	2.0
165.09134	1.5
167.08566	6.0
168.09296	2.1
169.10120	12.2
170.10803	1.5
171.08061	4.5
171.10269	2.5
171.11700	8.7
173.09674	1.5
173.13206	4.0
175.11200	1.2
179.08609	2.6
180.09393	1.4
181.06532	1.4
181.10071	3.9
182.10922	1.8
183.11711	2.8
185.09602	2.8
185.13260	4.7
187.11340	1.9
187.14804	18.9
189.11223	27.7
189.12848	2.5
193.10071	2.3
195.07898	1.6
195.11681	5.4
197.09668	2.7
197.13249	19.3
199.11174	2.9
205.10167	1.5
207.11642	2.4
208.12315	1.7
209.13266	4.8
211.11182	1.9
213.12778	6.8
215.14297	100.0
216.14667	2.9
219.11728	2.3
221.13245	2.6
223.14842	2.5
227.12727	28.2
231.13890	2.4
233.13345	1.6
233.15474	3.5
235.14874	2.3
237.12726	1.3
239.14348	1.8
241.12109	6.0
245.13783	2.5
251.14236	2.2
251.50162	1.3
253.15929	2.9
255.13885	2.3
257.15298	1.9
259.13187	2.5
259.17136	1.4
269.15219	2.1
271.16867	8.0
273.14771	2.3
321.22180	2.2
331.20456	1.5
339.23224	6.5
345.99353	1.3
349.21603	14.6
367.22672	40.7
368.22882	2.0
385.23730	23.5
389.93820	1.5
403.24646	6.5
405.23819	1.4
423.25305	3.3
431.27991	1.9
441.26346	58.6
442.26675	2.9
459.27423	74.7
460.27750	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2736
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25772	2.0
53.03938	6.9
55.01862	13.8
55.05502	73.4
57.03416	8.6
57.07061	3.0
65.03912	3.7
67.05496	70.8
67.57858	1.8
69.03420	6.8
69.07061	26.8
70.06573	3.5
71.04970	4.9
73.02926	1.9
73.67257	1.6
79.05482	61.8
81.03392	6.3
81.07042	63.9
83.04961	8.4
83.08606	38.3
85.02905	1.9
85.06514	5.1
87.04417	2.2
88.79272	1.9
89.06026	2.8
91.05466	61.9
91.06042	3.7
93.07030	36.9
94.95609	1.8
95.04948	12.4
95.08598	31.8
97.06519	6.0
97.10155	51.9
99.08079	2.1
103.05450	24.9
105.03355	3.0
105.07016	46.6
106.07345	2.0
107.04935	9.9
107.07902	3.3
107.08581	40.6
109.06513	7.6
109.10149	26.6
109.17077	1.8
111.08080	3.9
115.05407	12.2
116.06203	2.4
117.07003	60.9
119.04902	2.3
119.08566	30.2
121.06493	7.2
121.10137	10.8
123.08066	8.3
123.11680	7.4
125.09615	43.9
127.23226	1.7
128.06226	6.5
129.06993	31.3
131.04901	6.6
131.08557	46.1
133.06474	11.9
133.08546	2.4
133.10104	14.1
135.08032	17.1
135.11688	5.4
137.06018	3.1
137.09633	10.1
137.13263	4.2
139.07512	2.3
141.06975	16.6
142.07816	3.5
143.04904	3.3
143.08537	19.9
143.10619	1.8
145.06464	16.7
145.10080	18.3
147.04369	2.4
147.08031	10.3
147.11665	5.5
149.09608	15.5
151.07533	4.3
151.11174	3.5
153.07007	4.7
153.09100	7.1
154.07797	2.4
155.08516	20.7
157.06497	8.1
157.10143	9.0
159.08075	10.5
159.11667	7.0
161.09570	2.3
161.13286	2.9
163.11148	3.5
163.14838	2.9
165.09096	62.7
165.12642	1.9
167.07172	3.0
167.08586	7.2
169.10057	15.4
170.10741	2.0
171.08058	5.8
171.10320	2.2
171.11697	10.7
173.09601	3.8
173.13306	7.3
175.07686	1.9
175.11156	3.8
175.14780	2.5
177.09039	4.6
179.08543	2.4
181.10107	6.2
183.07883	2.3
183.11662	4.5
185.09641	4.1
185.13261	7.9
187.11209	2.6
187.14828	21.4
189.11205	32.7
189.12813	3.8
191.10619	2.1
193.10211	2.2
193.12181	5.1
194.55017	1.9
195.11711	6.0
197.13243	22.0
199.11172	3.8
205.12228	4.2
207.11804	3.4
209.13365	3.9
213.12640	8.5
215.14288	100.0
216.14633	4.0
221.13268	2.2
223.11122	2.7
223.14824	2.0
227.12680	24.7
233.15292	5.7
237.12675	1.8
241.12193	7.1
245.13600	3.1
251.14429	2.3
255.13969	2.7
257.15421	3.4
259.13242	3.2
269.15308	3.1
271.16855	8.3
277.19891	1.8
287.16147	2.1
289.17798	2.6
301.81665	2.0
311.24008	1.9
321.07687	2.0
321.22095	2.8
339.23227	5.3
349.21619	14.4
357.24298	2.4
367.22617	50.7
368.23135	2.2
385.23706	30.3
403.24823	8.3
423.25351	3.0
424.48328	2.1
441.26340	60.4
441.33276	6.4
442.26617	3.9
459.27374	87.6
459.33456	4.6
460.27673	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2223
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	7.1
55.05499	13.7
57.03424	9.0
67.05489	23.6
69.03419	36.4
69.07053	15.0
69.49406	50.2
70.06567	13.7
71.04990	68.8
73.02901	6.2
79.05488	16.6
81.03413	15.3
81.07053	40.6
83.04955	8.1
85.02896	57.1
85.06523	8.6
86.09760	6.4
87.00839	29.2
89.06022	17.6
91.05489	13.4
93.07035	19.9
95.04977	8.7
95.08593	35.5
97.02898	26.3
97.06564	4.8
99.04446	7.9
99.08099	6.8
105.01843	31.4
105.07015	18.5
107.08591	33.5
109.02877	22.5
109.06492	8.6
109.10136	31.6
111.08106	8.3
115.88249	5.3
116.01663	7.8
119.08595	36.8
121.10113	28.1
123.08047	10.7
123.11692	79.5
125.09586	9.8
127.03930	34.9
129.06987	6.0
133.08623	11.4
133.10117	59.8
135.11684	24.8
137.02353	9.4
137.09621	21.1
145.04907	11.5
145.10172	6.4
151.11169	11.8
152.59779	5.7
156.67070	5.1
165.01840	11.8
165.09077	52.5
175.14798	57.8
177.09190	6.5
183.02821	8.0
193.15851	44.1
197.07204	7.0
199.14766	7.4
207.32643	5.4
211.17003	14.0
229.14197	9.2
272.09668	5.4
283.06049	17.2
284.06464	7.5
286.04550	7.1
287.05252	7.7
288.05872	7.4
297.07535	19.8
299.05411	22.0
300.05930	45.4
301.06714	7.4
312.05804	10.2
313.07443	7.7
314.07346	8.5
324.05685	9.1
329.06650	6.9
330.06943	21.8
332.24057	5.7
338.03821	10.0
339.14011	5.9
340.05267	7.8
352.05383	12.4
367.13474	8.7
377.08334	7.6
379.06442	17.7
405.07977	41.9
406.06342	22.4
423.08948	100.0
424.09543	9.6
441.10132	47.1
442.10495	7.3
442.16260	7.8
459.10620	30.6
459.17392	11.0
460.17548	9.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.222
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.4
55.05494	4.7
57.07059	2.9
67.05507	15.8
69.03407	11.9
69.07055	10.0
69.51050	2.7
70.06572	9.0
71.04996	3.2
72.08131	3.1
75.61888	2.6
79.05495	3.6
81.03397	5.4
81.07053	16.8
83.04970	6.9
83.08611	5.5
85.02925	11.7
86.09692	9.0
87.00791	3.4
91.05472	6.4
93.07037	8.5
95.04926	2.8
95.08603	30.0
97.02915	3.0
99.08076	4.6
105.06991	6.6
107.08587	22.9
109.06498	8.3
109.10150	93.0
110.07140	3.7
119.08566	42.4
121.10114	11.2
123.08048	12.1
123.11694	6.8
127.03927	6.2
127.11263	2.7
129.10225	2.6
133.10109	22.4
135.11682	100.0
136.11975	2.5
137.05962	17.2
137.09608	14.1
144.91731	2.2
149.13261	6.8
151.11177	8.8
151.14777	11.3
151.45143	2.4
151.49216	2.6
161.05942	2.8
165.01768	3.1
165.16351	4.9
175.07611	15.0
175.14806	41.4
187.07573	5.5
193.15877	62.6
211.16928	63.0
237.09171	2.8
251.06967	3.2
265.08505	3.7
267.06464	3.9
291.07965	3.5
297.11020	3.3
299.05441	3.9
300.05890	10.0
329.06207	2.8
330.06842	6.1
333.07849	2.8
403.20096	3.4
405.07864	3.9
423.09036	21.2
441.10284	5.2
451.64987	2.6
459.11023	6.3
459.17694	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	459.2221
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17903	0.9
53.03931	1.1
53.78556	0.9
54.57962	0.9
55.05502	2.1
57.03429	1.5
61.02913	1.1
61.20272	1.3
67.05495	1.6
69.03412	3.7
69.07056	3.8
70.06599	2.5
71.05001	1.2
71.29807	2.0
72.08134	1.1
79.05477	2.4
81.03403	3.4
81.07052	11.6
83.08582	0.9
84.04488	0.9
84.08109	1.2
85.02895	11.1
86.09691	1.8
87.00822	4.0
91.05469	5.0
93.07037	6.0
95.08599	13.8
97.02889	4.2
99.04482	1.8
99.08054	2.7
105.01853	3.5
105.07023	11.1
107.08582	7.3
109.02872	2.8
109.10121	1.7
110.96072	0.9
113.09635	1.6
117.06982	1.1
119.08572	45.4
121.10119	1.6
123.11709	1.9
127.03898	6.9
133.10117	63.6
135.11681	12.3
135.36232	1.1
137.05968	2.5
137.09653	1.4
147.11690	2.9
159.02930	1.9
170.74135	1.1
173.13396	1.1
175.07588	3.0
175.14810	100.0
176.15189	3.0
187.07480	1.6
193.15840	9.9
211.16905	2.6
273.34695	1.1
297.07565	1.4
307.83081	1.2
399.98337	1.0
413.59674	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1965
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04255	1.1
55.05509	2.1
56.01918	1.1
57.03432	13.9
61.02914	2.4
69.03416	3.1
70.88806	3.8
71.04987	74.7
72.04551	1.1
73.02895	2.6
75.04446	5.6
83.04976	10.8
85.02897	100.0
87.04446	2.7
97.02879	4.8
99.04467	1.5
109.02878	1.4
111.04420	5.6
126.19798	1.2
127.03896	5.1
129.04553	2.4
129.05464	35.2
129.85791	1.0
130.74768	1.2
134.06062	3.0
145.04936	4.9
147.06508	21.1
149.28664	1.1
158.05968	2.6
163.05945	1.3
164.09166	3.5
237.07475	1.2
270.87885	1.3
280.11826	5.6
401.56717	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1797
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.4
55.01870	1.2
55.77891	0.4
62.80213	0.4
65.03933	1.0
66.04715	0.7
69.03429	0.9
69.65251	3.2
70.06573	0.9
71.26963	0.4
72.08161	0.4
79.05500	2.5
81.07045	1.2
83.04964	0.4
84.08107	0.4
85.02924	0.4
86.09695	0.5
91.04916	0.7
91.05476	11.4
91.06036	0.8
93.07043	0.8
94.04176	4.0
95.04971	1.3
103.05440	2.7
104.06272	0.9
105.07021	5.2
107.04944	3.8
109.06512	1.7
111.04405	0.5
114.07398	0.4
115.05446	6.6
116.06245	1.8
117.07005	4.2
119.04976	1.0
119.08578	9.6
121.06502	0.7
122.03640	9.4
123.04414	0.7
127.05432	0.8
128.06218	5.9
129.07007	8.5
131.04916	4.5
131.08589	1.1
132.05702	8.0
133.02856	0.4
133.06503	3.4
137.05969	100.0
138.06285	1.2
139.96323	0.4
141.06975	0.5
143.04959	0.5
144.05688	3.1
145.06430	3.1
146.03615	0.5
147.04395	0.8
147.08043	12.4
149.05980	1.8
151.03920	4.5
151.05031	0.8
151.07530	2.7
152.06142	0.5
153.06984	1.2
155.04898	4.6
155.06003	0.7
156.05719	1.1
157.06430	0.7
159.08049	8.4
160.05191	6.4
161.05963	8.6
161.07298	0.5
163.07536	1.6
165.06972	2.8
166.07785	0.8
167.08524	1.3
169.06480	0.7
172.05168	1.8
175.07535	73.7
176.06320	0.4
176.07886	0.9
177.06993	1.8
178.07777	0.8
179.08490	0.6
181.05103	0.5
181.06488	1.8
182.07245	1.0
183.08017	0.7
185.05962	0.5
187.07535	24.5
188.07857	0.6
189.05498	0.5
189.07018	1.3
189.09087	1.5
190.07719	0.4
191.08531	1.1
193.06499	1.6
194.07295	1.2
195.08081	1.7
197.06009	0.6
199.07607	0.7
201.05421	0.5
202.07790	1.5
203.08580	1.7
204.09398	0.7
205.06494	4.7
206.07253	1.6
207.08067	0.8
209.06029	0.6
210.06732	2.5
211.07555	1.2
213.09195	0.7
215.08585	4.0
217.06465	0.7
218.07262	0.9
219.08047	1.7
220.08714	0.8
221.05965	2.9
221.09563	2.0
222.06714	2.6
223.07472	1.7
224.08267	0.7
225.05557	0.7
225.09041	2.5
227.07034	0.7
227.10719	0.6
231.08063	1.6
232.08778	1.7
233.05913	2.3
233.09618	0.5
234.06703	2.0
235.07523	2.0
237.05353	0.7
237.09064	6.2
238.06229	2.7
238.09656	0.4
239.06960	0.7
240.07690	0.9
241.08617	0.8
242.07198	1.1
243.08031	7.7
244.08704	1.8
245.06003	0.4
245.09578	1.0
246.06790	0.7
247.07579	1.5
247.11160	0.8
248.08282	1.3
249.05717	0.4
249.06770	0.5
249.09019	3.2
250.06171	2.1
251.07072	2.5
252.07726	0.7
253.04919	0.4
253.08499	4.1
257.09695	0.4
259.07480	1.8
260.08331	4.3
261.09045	1.2
262.06268	0.8
262.09894	0.7
263.06992	1.1
263.10666	1.0
265.08578	14.7
266.09256	2.9
267.10117	0.9
268.07150	2.1
269.08038	1.9
269.11783	0.6
270.06479	0.5
271.07492	7.4
272.08264	1.5
273.11374	0.9
275.07346	0.9
275.10648	5.7
277.08148	2.0
278.11066	0.7
279.06439	1.1
279.11774	0.6
281.11807	0.9
283.09650	6.9
284.10291	2.1
285.11292	3.4
287.06909	0.5
288.07782	3.9
289.08527	1.6
291.10196	1.2
294.08789	3.0
295.11078	0.8
297.11203	17.2
298.11844	1.8
302.09183	0.6
303.10107	15.3
304.10803	1.1
305.09149	0.6
306.10159	1.3
307.11053	2.4
309.11209	10.8
313.07471	0.5
314.07352	0.9
320.10312	1.5
321.11145	1.4
322.12109	0.8
323.10098	1.1
323.12946	1.7
324.11331	1.4
334.09814	0.7
335.09714	0.4
335.13251	5.9
337.08362	0.7
339.09897	0.5
339.13687	1.6
341.11646	1.0
349.12109	0.7
351.10318	2.2
352.10892	3.1
353.11658	1.1
363.10062	1.2
365.11786	0.9
366.12399	0.7
367.13412	4.6
369.11148	1.7
380.10379	1.2
383.12564	1.3
384.13577	2.2
395.12799	4.1
397.10547	0.7
399.15900	8.4
409.14398	0.5
412.12936	1.3
413.13531	0.6
427.15396	10.2
428.15866	1.1
429.13641	0.4
444.15729	0.8
459.18033	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	459.129
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	0.8
55.05487	0.6
56.05021	1.0
56.86848	0.4
59.16425	0.4
60.05624	0.8
61.02910	0.6
67.05468	0.8
69.03414	1.0
69.07056	0.4
69.48975	1.9
69.49412	2.2
70.06586	6.7
71.04988	0.5
72.08150	4.9
73.08478	0.4
74.06077	1.0
79.05459	0.6
81.03427	0.7
81.07047	0.8
84.04511	1.2
84.08135	3.0
85.02904	2.4
86.09703	4.0
87.75777	0.4
91.05467	1.1
93.07025	0.8
95.04939	0.5
97.02877	1.0
102.05518	0.5
103.05476	0.6
105.07028	0.6
107.04961	1.2
109.02905	0.6
109.05113	0.7
109.52386	0.4
110.07159	1.3
112.08676	0.8
114.10309	0.6
115.05445	0.5
116.07072	0.5
116.91500	0.4
119.04944	0.8
119.08519	0.6
120.06557	1.1
120.08068	1.9
121.02882	1.4
121.07608	0.4
121.08443	0.5
127.03918	0.8
129.10240	1.0
134.04616	11.0
135.04405	0.8
135.08022	0.5
136.07571	0.9
137.02332	0.7
140.02718	0.5
140.22824	0.4
147.04424	0.5
149.99945	1.3
152.05687	3.0
152.06757	0.5
160.02588	0.6
161.02347	0.5
165.02301	10.2
165.05591	0.4
167.02576	0.7
174.37804	0.4
178.03589	0.6
179.03453	0.5
182.04950	79.4
183.05144	0.5
185.16457	0.6
193.00584	0.8
195.02730	0.4
207.02982	0.9
208.02872	100.0
209.03110	1.4
219.02876	1.2
225.04016	0.5
261.03851	0.9
295.05994	0.5
296.06293	1.1
297.06500	0.8
307.05920	0.6
308.06558	0.9
309.06937	0.7
310.07687	0.6
314.09192	1.6
321.06821	0.6
322.08151	0.5
323.08725	0.7
325.06961	1.4
326.07336	1.5
327.08658	52.2
328.08545	0.9
335.08435	0.5
338.07330	0.8
338.19650	1.8
339.07660	1.4
339.19998	0.9
340.06876	0.9
340.21143	0.9
341.06580	0.7
347.08948	0.5
351.08337	0.6
353.09546	0.9
367.10901	0.5
369.05917	1.3
379.07813	0.4
381.08905	3.8
389.68024	0.4
393.09088	0.7
405.08829	0.9
410.27200	0.6
411.09393	0.5
423.09567	0.8
426.29440	1.1
427.29834	1.0
441.10461	1.5
459.11481	4.5
459.18088	1.2
459.27698	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1278
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.6
55.01856	0.8
57.03424	1.7
61.02917	2.6
62.92162	0.1
65.03934	0.4
67.05482	1.3
68.99778	0.6
69.03419	0.8
69.07056	0.2
70.06584	0.2
70.99670	0.3
71.00029	0.2
71.01334	0.2
71.04983	0.1
72.08140	0.6
73.02899	1.3
77.03922	0.2
79.05469	0.6
81.03407	1.2
81.07047	0.2
83.01302	0.2
84.04459	0.1
84.08119	0.2
85.02889	3.8
85.07625	0.1
86.09682	1.4
89.03915	0.3
91.05464	1.0
93.03403	1.2
93.07030	0.2
95.01299	0.3
95.04955	2.5
97.02882	0.6
99.04405	0.2
103.03933	2.8
103.05443	1.9
105.03374	18.3
105.07003	0.5
106.03669	0.3
107.01301	0.2
107.04937	0.8
109.02838	1.0
111.04414	0.4
112.88628	0.1
115.05424	0.4
117.03351	0.4
117.07015	0.2
119.04926	0.7
120.02029	0.1
120.08097	0.3
121.02853	1.0
121.06541	0.2
121.08441	0.1
123.04397	0.6
127.03860	0.2
129.03342	3.3
129.06967	0.2
131.04884	0.7
133.02815	0.7
133.06479	0.3
134.03583	0.2
135.00807	0.2
135.04393	1.1
137.02310	0.3
139.03860	0.3
141.01768	0.1
143.04910	0.2
145.02840	1.2
145.06447	0.2
147.04396	1.5
148.01529	0.3
149.02330	0.5
151.03899	0.6
153.01862	0.1
153.05527	0.2
155.04860	0.2
159.04387	0.6
161.02298	1.5
161.05960	0.2
163.03886	2.1
165.01842	0.3
165.06949	0.3
166.07759	0.2
167.03374	0.8
167.08542	0.2
168.04170	0.2
169.05055	0.1
171.04387	0.4
173.02318	2.3
173.06020	0.3
174.03140	0.2
175.03900	1.2
176.01024	2.8
177.01805	1.1
178.07761	0.2
179.03368	3.4
179.08542	0.1
180.04109	0.3
181.04922	2.8
181.06348	0.1
183.04314	0.2
187.03871	1.3
189.01799	8.5
189.05392	0.5
190.02570	1.1
190.07756	0.2
191.03358	13.0
191.08487	0.3
192.03778	0.3
193.04915	0.3
194.02068	2.4
194.07265	0.3
195.02867	1.1
195.07942	0.3
197.04434	0.6
197.05859	0.2
199.03925	0.3
201.01804	1.4
201.05377	0.6
202.02556	0.2
203.03351	1.6
204.04088	0.3
205.01315	0.2
205.04910	1.3
207.02853	7.9
207.08035	0.4
208.03532	0.7
209.04356	1.7
209.05992	0.2
209.11601	0.2
210.06743	0.1
211.03868	0.3
213.01772	0.2
213.05476	0.2
215.03326	1.0
217.01270	0.1
217.04855	0.7
217.10233	0.2
218.02026	0.2
218.07259	0.3
219.02849	5.8
219.06314	0.3
219.08099	0.4
220.03264	0.1
221.04381	0.5
221.06088	0.3
222.06749	0.3
223.07538	0.8
227.03415	0.4
227.06982	0.2
227.17592	0.3
228.03725	0.1
229.04895	0.9
231.02858	0.5
233.04395	1.2
233.14789	0.2
234.06776	0.1
235.07516	0.8
236.08229	0.4
237.03563	0.2
237.05676	0.2
237.09076	0.5
238.06210	0.3
239.03369	0.3
239.06964	0.4
240.07735	0.4
241.04910	0.1
243.02765	0.3
245.04289	0.2
246.06779	0.2
247.02242	0.3
247.07747	1.4
249.09137	0.2
250.06210	1.0
251.06992	3.3
252.07765	2.7
253.04691	0.2
253.08543	0.5
254.05710	0.5
254.09358	0.2
255.03085	0.2
255.06567	0.2
257.04330	0.7
259.06100	0.2
261.09055	0.2
262.06375	0.2
263.06995	5.3
264.07767	3.7
265.08557	12.0
266.05685	0.3
266.08807	0.4
267.06454	3.0
268.07211	1.9
269.08002	0.2
275.06998	4.0
276.07773	0.6
277.04941	0.6
277.08545	1.6
278.05695	47.7
279.06433	13.1
279.09686	0.3
279.15564	0.1
280.07239	3.0
281.08029	6.7
282.08746	1.5
283.05972	0.2
285.03864	0.6
287.06851	0.2
288.07745	0.3
289.08557	1.1
290.09222	0.3
291.06470	52.6
292.07199	14.7
293.08011	16.0
294.05411	0.3
294.08533	0.8
297.07532	4.2
301.08572	0.7
302.09164	0.2
303.06485	16.7
304.07156	2.6
305.04642	0.3
305.08017	5.6
306.05219	0.5
306.08798	2.6
307.05911	0.5
307.09619	1.1
308.06583	0.3
309.07520	32.2
310.07855	1.3
313.08490	0.3
315.06271	0.4
315.09802	0.2
316.07330	0.5
317.08032	3.2
318.05612	0.2
318.08664	0.6
319.05923	0.6
319.09625	0.7
320.06769	3.2
320.10202	0.3
321.07513	100.0
322.07852	3.9
323.05701	0.3
323.09097	1.2
325.07077	0.1
329.07916	1.0
330.08661	0.4
331.06149	0.2
331.09619	1.9
332.06699	0.5
333.07529	3.4
334.08209	0.8
335.05466	0.5
335.09064	7.7
336.09436	0.2
337.06989	1.0
339.08582	51.5
340.08948	1.8
341.07907	0.4
344.06754	0.3
345.07544	3.4
346.07986	0.4
347.09143	1.2
348.09857	0.1
349.06894	0.7
349.10687	1.9
351.08566	6.0
352.09067	0.3
357.07468	1.2
359.09067	2.9
361.06888	0.6
362.07431	0.2
363.08566	25.2
364.09113	1.0
369.09955	0.2
375.08572	14.2
376.08817	0.7
377.10120	1.0
381.09677	0.2
385.10626	0.6
387.08563	5.9
388.08917	0.3
393.09622	3.7
395.11050	0.1
405.09628	14.7
406.10013	0.7
413.10117	0.3
415.19647	0.2
423.10690	13.9
424.10931	0.8
441.11774	19.9
442.12036	0.8
459.12784	3.8
459.18555	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.3109
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	15.2
55.01860	6.4
55.05507	42.1
57.03429	20.2
57.07069	8.5
65.03922	9.4
67.05499	99.0
69.03419	36.6
69.07051	30.6
70.06560	8.0
71.04982	16.3
71.75942	10.5
74.69640	8.2
79.05483	71.6
81.03401	73.7
81.07040	100.0
83.02853	6.7
83.04982	9.7
83.08599	16.3
85.02888	41.9
91.05460	56.5
93.07020	95.6
95.04959	27.3
95.08601	73.4
97.02890	40.0
97.10140	14.4
97.80524	7.0
99.04436	15.3
103.05413	6.4
105.03416	7.4
105.07037	47.7
107.08582	55.2
108.04434	9.7
109.02863	36.6
109.06425	7.3
109.10118	40.7
113.06025	9.0
117.06991	22.9
119.08589	34.2
121.10137	57.2
123.11665	22.6
127.03908	25.6
129.06953	14.2
131.08542	30.8
133.06441	11.0
133.10144	33.9
135.11684	21.5
138.64774	7.2
143.08572	13.0
145.04921	7.9
145.10117	30.5
147.08183	7.3
147.11687	21.6
149.13272	15.5
155.08517	7.8
157.10100	12.5
158.71576	7.4
159.08131	7.5
159.11667	23.9
161.13237	15.1
165.09125	9.2
171.11707	17.6
173.13257	25.2
175.14841	11.6
185.09706	8.7
188.73520	6.3
199.14767	8.0
215.14325	8.0
239.60092	6.6
243.20918	12.1
259.20505	10.7
261.22116	24.2
275.97296	9.1
277.14392	8.3
277.21671	11.7
303.23041	11.1
351.23203	9.7
369.24399	19.6
387.25183	26.9
405.26392	22.9
457.81158	15.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.3107
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	7.9
55.05510	38.2
57.03423	11.6
57.07053	8.1
60.04498	5.1
65.03916	5.8
67.05499	85.2
69.03429	23.9
69.07061	26.1
70.48724	8.1
70.49140	15.6
71.04971	10.1
76.71028	5.0
79.05481	80.7
81.03394	22.5
81.07050	91.7
83.04967	6.1
83.08606	14.2
85.02900	26.0
90.33385	5.6
91.05473	53.7
93.07029	100.0
95.04941	12.4
95.08594	73.3
97.02888	40.5
97.10168	5.7
99.04429	13.0
103.03929	4.8
103.24400	6.1
105.07019	46.7
107.04939	5.7
107.08586	55.9
108.04448	7.8
109.02846	8.8
109.06512	9.8
109.10146	39.3
111.04462	7.3
112.92296	4.2
117.06989	28.0
119.08569	32.8
120.96627	6.3
121.10136	49.5
123.11690	13.2
127.03901	21.2
131.08527	32.2
133.10127	27.2
135.11658	28.6
143.08553	8.8
145.04956	14.0
145.10130	22.5
147.08049	5.6
147.11673	20.0
149.09634	4.5
149.13216	12.7
155.08626	6.2
157.10176	5.3
159.11688	16.4
161.13196	14.0
171.11673	8.3
173.13261	20.0
183.11667	5.3
187.14821	9.0
203.14436	4.6
211.77388	5.4
243.21013	13.1
259.20538	7.7
261.22119	38.8
303.23169	9.3
314.77789	5.2
315.23132	7.2
338.27698	15.2
339.39432	5.4
342.52194	4.9
351.23236	5.6
369.24258	17.6
387.24945	11.1
405.26318	17.2
423.27274	15.2
458.23099	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	458.3107
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	9.0
55.01868	18.4
55.05518	18.2
56.05820	2.9
57.03424	12.2
57.07085	3.4
67.05494	64.7
68.05833	3.1
68.79156	3.0
69.03418	44.9
69.07063	13.5
70.06602	3.7
71.04993	11.1
71.40714	7.2
73.02912	10.1
79.05483	43.9
81.03412	54.3
81.07046	66.4
83.08620	6.6
85.02459	3.2
85.02898	15.2
91.05476	19.3
93.07038	50.7
95.04948	8.7
95.08598	51.1
95.38993	2.9
97.02885	45.5
97.06528	5.4
98.17319	3.3
99.04440	72.6
101.02380	3.9
105.07048	12.3
107.08591	24.3
109.02868	41.9
109.10114	26.9
109.10780	3.3
111.04394	5.5
117.07018	4.6
119.08589	12.6
120.96617	23.4
121.10140	21.0
123.11705	12.1
127.03901	100.0
127.04827	4.9
131.08566	15.2
133.10115	11.9
135.11671	16.2
137.13239	5.5
142.57512	3.1
145.04929	18.7
145.10127	9.4
147.11716	7.8
149.13242	7.2
159.11650	5.3
161.13295	5.8
173.13257	7.0
225.16614	3.5
238.33205	3.5
243.21069	5.7
259.20627	3.4
261.22147	19.4
277.21625	4.9
316.62500	3.1
338.27588	25.3
360.25873	5.3
405.26474	5.6
406.54538	3.9
423.27435	13.1
446.18738	3.4
458.23471	10.2
459.24677	12.0
470.04315	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	458.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14963	1.2
53.16908	1.2
53.56814	1.0
64.34885	1.1
70.06589	56.9
70.66220	2.4
70.66610	2.5
79.65018	1.2
82.39320	1.2
86.39968	1.2
87.70842	1.1
114.89340	2.0
116.07084	100.0
117.07456	1.8
169.16360	1.1
209.09813	1.2
274.63422	1.2
277.00156	2.3
278.00427	3.5
296.51785	1.1
416.53772	1.3
458.12100	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	458.1861
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99849	1.1
69.79042	3.8
69.79458	4.1
70.06583	59.7
72.45162	1.1
82.05979	1.0
85.02885	1.7
86.06015	2.1
98.20856	3.3
113.47103	1.1
113.61986	1.3
114.89347	3.2
116.07076	100.0
153.73560	1.1
162.43829	1.4
193.11502	1.1
250.36517	1.3
277.00079	1.3
278.00363	2.3
333.47504	1.4
348.48978	1.2
458.11954	10.2
467.08386	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.1683
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.8
55.05508	0.6
57.03425	0.6
57.07070	3.0
59.04992	0.7
61.02918	0.6
65.59987	0.2
67.05489	0.8
69.03423	1.4
69.07048	1.2
70.04068	100.0
71.01354	0.3
71.04379	0.3
71.04995	0.5
71.73386	0.4
77.85738	0.3
79.05494	0.6
81.03412	1.7
81.07069	0.8
83.08649	0.4
84.08179	0.3
85.02897	4.6
91.05474	0.8
91.62312	0.3
92.05779	0.3
93.07046	0.7
95.04955	0.5
95.08617	0.7
97.02892	2.3
98.52744	0.2
99.04449	0.7
99.08083	14.5
105.07005	0.5
107.08562	0.3
109.02874	3.3
109.10194	0.4
111.04552	0.3
117.09109	3.2
119.08605	0.4
123.04465	0.8
127.03896	4.2
129.01079	0.4
135.11681	0.4
141.01039	0.6
145.04929	0.7
159.10233	0.4
159.11714	0.4
163.63940	0.3
165.09117	0.5
179.10719	0.3
183.10297	0.3
187.74081	0.3
195.10144	2.2
225.11218	1.5
227.08328	3.8
243.12221	1.5
261.13336	0.5
353.18698	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.1654
Annotation	Calanthoside
Peak:m/z	Relative Intensity
53.03932	3.2
55.01859	2.5
55.05500	1.6
56.05039	2.0
57.03437	6.1
60.04517	1.4
60.05605	1.2
61.02922	13.5
61.59217	1.1
69.03422	17.1
69.07051	1.4
70.06207	2.0
70.06586	31.7
71.01302	1.0
71.04966	2.2
71.66932	2.1
72.04541	1.5
72.08140	7.3
73.02910	6.6
74.06063	2.8
79.05490	2.6
81.03409	8.6
83.01304	1.2
83.06082	1.7
84.04510	5.9
84.08131	8.5
85.02896	47.6
86.06098	1.2
86.09701	16.2
87.04466	2.9
91.03962	11.0
91.05465	5.5
96.04491	3.1
97.02879	22.2
98.98460	1.9
99.04443	4.7
101.07092	1.5
102.05518	3.1
103.03928	2.6
103.05446	3.3
106.06544	4.4
107.04931	4.0
109.02869	5.7
110.07178	2.0
111.06029	1.1
112.03891	1.7
112.08741	1.7
116.07085	2.6
118.06547	4.5
119.04926	2.0
120.08088	14.5
127.03903	12.9
129.10207	5.7
130.06468	8.3
132.04439	1.2
132.08105	2.2
134.05994	18.7
136.07574	13.3
144.06580	2.7
144.08076	6.9
145.04961	16.2
146.05991	3.5
148.06084	1.2
158.05998	100.0
159.06322	2.5
160.07578	3.1
161.05870	1.3
163.06032	9.4
172.07507	8.4
173.09172	1.7
176.07063	17.3
184.07472	1.3
186.05510	1.4
186.97560	1.5
188.07037	4.1
200.07022	9.7
218.08067	1.7
229.15471	2.8
230.08275	1.5
230.11304	2.5
243.08722	2.3
244.09041	1.3
260.09229	4.2
266.87491	1.0
278.10168	10.8
283.14325	5.1
296.11264	90.5
297.11609	3.3
306.39755	1.1
332.90125	1.4
360.13815	3.0
440.10538	6.8
458.16901	7.5
458.30609	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	458.1655
Annotation	Calanthoside
Peak:m/z	Relative Intensity
53.03929	2.3
54.90839	0.5
55.01854	2.3
55.05489	0.8
56.05020	1.0
57.03434	3.8
58.06609	0.6
60.04506	1.0
61.02920	6.1
64.73484	0.6
69.03421	23.1
70.06584	9.2
71.01349	0.6
71.04970	2.0
71.75606	1.0
72.04526	0.7
72.08154	4.0
73.02902	4.0
74.06061	0.8
79.05479	4.1
81.03410	9.0
83.04990	0.8
84.04492	2.4
84.08139	6.3
85.02898	50.1
86.09692	7.8
87.04444	1.8
91.03960	2.9
91.05486	3.7
91.75990	0.6
96.04439	1.4
97.02884	21.9
98.06034	1.5
99.04449	5.2
101.02367	0.6
102.05518	0.8
103.03906	1.6
103.05468	2.2
106.06546	11.5
107.04949	6.7
109.02868	5.6
110.07145	1.2
112.08768	0.6
115.03911	0.9
115.05459	0.6
115.08652	0.9
116.05000	0.7
116.07062	0.8
118.06541	4.7
120.08089	1.2
126.05492	1.7
127.03899	13.7
127.12323	1.2
129.10229	2.6
130.06534	4.6
132.08086	1.0
134.06001	24.5
136.07579	1.2
142.06477	0.5
144.06555	3.9
144.08058	3.9
145.04958	15.1
146.06042	3.1
147.04396	1.9
148.07550	0.7
152.07037	1.3
158.06001	32.3
160.06198	0.8
160.07567	1.9
162.05518	1.0
162.07654	2.9
162.08961	0.6
163.05998	3.0
172.07585	4.8
176.07080	6.3
177.05508	0.7
182.04897	0.7
184.07498	1.9
186.05496	2.3
186.09061	0.6
188.07086	1.5
200.07051	4.9
212.07054	0.9
218.08073	0.9
230.08121	0.7
232.09808	0.7
242.07957	1.0
250.10803	1.1
260.09171	2.1
278.10165	4.8
284.08194	1.0
296.11267	100.0
297.11664	3.9
440.10504	0.7
458.16705	5.9
458.30743	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.1079
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01847	0.6
66.27655	0.5
67.05453	0.6
68.99770	0.8
69.03390	1.6
70.06580	2.9
71.22450	1.2
79.01818	1.9
79.05467	0.7
81.03368	0.9
84.04478	0.8
84.08112	0.8
85.02849	1.3
86.09654	1.1
91.05392	0.5
93.03355	1.3
107.04844	0.5
109.02879	0.8
110.07076	0.5
127.03787	0.5
129.80896	0.5
131.04808	0.5
135.04381	2.4
136.05104	1.4
137.02315	14.0
137.03349	1.2
137.05916	1.7
138.02858	0.6
161.02325	2.0
161.05968	0.6
163.54469	0.5
165.01770	2.3
167.03380	0.8
177.01910	0.5
179.03418	5.0
181.06680	0.5
183.02838	2.8
191.03302	0.5
203.03432	1.1
207.02846	0.6
226.06261	1.0
227.06915	1.0
229.04939	4.0
230.05437	0.6
243.06450	1.3
244.07249	0.7
257.04306	0.6
258.05154	5.8
259.05981	1.0
271.05948	5.5
272.06741	7.4
275.05444	0.9
283.05997	1.4
284.06763	0.8
286.04575	5.9
286.06924	0.6
287.05429	4.8
288.05246	0.8
295.05960	1.4
299.05466	57.5
300.06216	32.6
301.06778	1.8
311.05450	11.0
313.07022	87.6
314.07294	3.2
315.04639	0.9
323.05600	1.4
327.04935	9.2
329.06525	33.7
330.06839	1.3
337.03378	1.2
339.04971	2.2
340.05685	1.6
341.06516	22.4
349.06885	0.9
350.06689	0.7
351.04999	2.5
354.06003	1.4
357.05865	1.1
358.06705	1.8
359.07556	61.0
360.08102	4.1
369.05911	1.2
378.06079	3.1
385.09293	1.1
394.09351	1.4
395.07547	0.8
396.07062	1.0
404.07593	4.8
405.06018	2.9
406.83719	0.6
413.08707	3.2
422.08682	20.2
423.09152	0.8
431.09744	0.6
440.09723	21.4
441.10062	1.4
458.10773	100.0
459.11118	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	458.1078
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	0.4
55.01861	0.7
55.05490	0.8
56.12986	0.3
57.03435	0.3
59.04992	0.8
67.05501	0.9
68.50406	0.4
68.99817	0.5
69.03409	1.1
69.07055	0.7
69.76842	2.8
70.06578	1.7
72.08141	1.1
73.44225	0.3
79.01836	1.2
79.05475	1.2
80.05005	0.4
81.03407	1.1
81.07030	1.5
82.06567	0.6
83.08604	0.7
84.04494	0.7
84.08105	0.4
85.02928	1.7
86.09686	0.5
91.05441	0.7
93.03407	0.4
93.07032	1.3
94.06536	0.4
95.04935	0.5
95.08603	0.9
105.06999	0.5
107.04869	0.4
107.08574	1.3
108.08824	0.4
108.64999	0.4
109.02866	0.6
109.06510	0.5
109.10148	0.7
117.05503	0.5
119.08575	0.9
121.02914	0.4
121.06500	0.7
121.10092	0.8
123.04411	0.4
123.11687	0.5
124.01587	0.6
125.09606	0.5
127.03893	0.5
129.10220	0.4
131.08560	0.6
133.10138	0.6
135.04414	2.1
135.08087	0.6
135.75624	0.3
136.05193	0.6
136.07510	0.5
137.02328	11.9
137.05945	0.4
138.03215	0.4
142.08624	0.5
147.11685	1.0
148.12047	0.4
149.09599	0.7
149.13202	0.6
150.13692	0.4
151.03917	0.7
153.01782	0.5
154.08655	2.1
160.03946	0.4
161.02341	1.4
161.05994	0.4
163.03850	0.7
165.01883	1.3
165.09125	1.3
167.03401	0.8
171.02859	0.6
173.13277	0.4
175.07501	1.1
176.04709	0.5
177.01834	0.7
178.02530	0.6
179.03333	1.9
179.26463	0.3
183.02847	0.9
189.01869	0.4
191.03416	0.7
191.14284	2.1
192.14613	2.6
195.02821	0.5
201.05588	0.4
203.03326	1.0
207.02858	0.6
209.15427	1.0
210.15688	0.8
227.07053	0.8
229.04953	2.1
237.05185	0.5
243.06461	0.8
244.05891	0.4
244.07368	0.6
258.05222	4.8
259.06027	1.7
270.04089	0.5
271.05972	4.5
272.06754	6.4
275.05368	0.6
281.04520	0.5
283.06097	0.6
284.06815	1.0
286.04666	6.4
287.05450	3.7
295.05957	1.6
299.05478	39.0
300.06241	31.1
301.06839	2.1
311.01819	0.5
311.05435	9.9
313.07053	38.3
314.04196	0.6
314.07526	1.4
315.05145	0.6
323.05493	1.1
327.04974	10.2
328.05441	0.6
329.06531	46.4
330.07043	1.2
332.05371	0.7
339.04922	1.9
340.05649	1.3
341.06573	10.0
349.07166	0.5
351.04944	2.9
357.06192	0.8
358.06815	2.1
359.07574	21.8
360.07996	1.1
369.06451	0.5
378.06042	1.5
385.09149	1.6
394.09314	1.0
395.07611	0.5
396.07126	1.0
404.07532	3.0
405.05945	0.8
413.08731	2.2
414.07950	0.5
422.08679	10.7
423.09094	0.6
440.09720	14.5
441.09937	0.5
458.10788	100.0
459.11133	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	458.1077
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	0.6
55.01847	0.7
56.05002	0.5
56.60411	0.3
57.03410	0.6
65.03912	0.4
67.01833	0.4
68.40321	0.2
68.99770	2.6
69.03421	1.4
70.06536	1.0
77.24097	0.2
79.01820	0.7
79.05435	0.5
80.04951	0.7
81.03387	1.3
84.04461	0.5
84.08116	0.6
85.02828	0.3
86.09669	0.6
86.72605	0.2
89.03877	0.6
91.05463	1.6
92.99728	0.7
93.03407	0.6
94.02924	1.9
95.01336	0.5
97.02866	0.3
103.05444	0.3
105.03391	0.5
107.01267	0.3
109.02838	0.8
111.00770	0.4
111.04399	0.7
112.03897	0.8
115.05432	0.4
115.53452	0.3
117.03365	0.7
118.06443	0.3
119.04897	0.6
121.02798	1.0
122.06033	0.4
127.03870	0.9
129.06927	0.4
130.06514	0.3
131.04869	0.8
132.04430	0.6
133.02805	0.5
134.03574	0.4
135.04395	5.5
137.02325	17.6
137.03384	0.7
137.05882	0.4
138.02707	0.4
140.04811	0.3
141.01799	2.5
145.02821	0.3
146.05972	0.9
147.00761	0.4
147.04388	1.2
149.02335	1.2
150.05466	0.7
153.00754	0.2
153.01776	1.4
156.04451	0.3
159.04372	0.4
160.03918	3.7
161.02319	5.2
161.06039	0.3
163.00166	0.5
163.03870	0.7
165.01817	12.6
167.03386	3.1
168.04399	0.3
170.02100	0.3
170.05968	0.8
171.04356	0.4
172.03856	0.4
174.05432	0.5
175.03838	0.3
177.01749	1.2
178.99756	0.5
179.03375	6.1
183.02873	9.2
184.03810	0.7
186.05409	0.5
187.03874	1.7
187.05362	0.3
188.03412	0.3
189.01804	3.9
190.02486	0.3
190.99750	0.4
191.01439	0.4
193.01331	1.5
195.02835	1.1
196.03889	1.3
197.00703	1.3
197.04277	0.5
197.05956	0.4
199.02124	0.6
201.01811	0.3
202.04910	0.3
202.99759	0.5
203.03365	1.6
205.01283	0.7
205.04924	0.9
207.02855	3.2
208.03795	0.4
209.00772	0.8
213.05530	0.5
214.04965	1.1
215.03320	0.9
215.05235	1.2
218.04427	0.3
221.00790	4.1
221.04242	0.5
222.01082	0.2
223.02373	0.8
224.03326	0.6
226.04942	0.7
227.06941	0.3
228.02837	1.0
229.04933	0.7
232.05954	0.3
233.04221	1.2
233.06291	0.9
237.05313	0.3
239.06966	0.3
242.04466	1.5
243.02704	0.3
244.05879	0.4
245.04382	2.4
246.03978	1.3
247.02336	0.6
253.04843	0.5
255.06392	0.8
258.05194	2.8
258.07700	0.3
260.05585	0.5
261.05795	0.8
263.05551	0.3
265.03403	1.3
268.06052	0.3
269.04401	0.8
270.03915	2.1
271.06003	1.8
272.06802	1.6
272.58273	0.2
281.04358	3.1
283.06009	4.5
285.03857	1.3
286.04672	9.9
287.05444	10.4
288.04901	1.4
289.03503	1.5
292.09750	0.3
293.04456	0.4
295.05997	4.8
296.06372	0.5
297.03912	0.8
297.07562	1.2
298.04553	0.5
299.05460	73.7
300.06161	13.5
301.06766	0.4
307.05823	0.4
308.06561	0.3
309.03912	0.7
310.04648	1.5
311.05457	19.5
312.05753	0.8
313.03421	2.4
313.06967	19.5
314.07410	0.7
321.04483	0.3
321.07605	2.8
322.06876	0.4
323.05444	13.2
324.06110	1.9
325.03317	2.7
325.06995	4.5
326.03607	0.4
326.06888	0.8
327.04938	2.3
327.08496	0.6
328.05765	0.7
329.06506	19.6
330.07269	1.2
331.04633	0.3
333.06400	0.3
336.05637	0.5
337.03400	13.6
337.07065	2.0
338.03836	0.7
339.04922	6.8
339.08676	3.0
340.05423	0.4
341.02524	0.5
341.06528	8.0
342.07181	0.3
348.08737	1.5
349.06998	8.5
350.06631	1.5
351.04779	5.7
353.06525	1.1
354.06305	0.3
355.04410	0.8
357.05823	0.4
358.06870	0.7
359.07578	8.9
360.08575	6.0
361.06668	0.9
362.06567	3.8
363.05090	0.8
365.08905	0.3
366.09680	3.2
367.08047	1.6
367.74658	0.3
369.06000	0.5
376.08112	6.8
377.06454	3.7
378.06049	13.4
379.06873	0.3
385.09232	0.4
386.06488	2.7
394.09207	5.0
395.07486	2.3
396.07202	2.0
404.07605	40.1
405.05951	25.4
406.06311	1.0
413.08673	6.6
414.08844	0.4
422.08655	100.0
423.08905	3.5
440.09708	40.3
441.10062	1.3
457.32599	0.3
458.10767	16.6
459.11261	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.1078
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	1.3
67.01906	0.8
68.99780	2.6
69.03409	1.4
69.55478	0.9
71.19920	1.9
71.20250	1.3
81.07061	1.1
92.99774	1.0
94.02953	1.6
105.07034	1.7
121.02820	1.9
133.10136	2.5
134.10477	0.9
135.04379	4.9
137.02342	15.2
137.09621	2.3
141.01747	1.9
146.05913	1.2
146.09613	2.8
160.03940	4.0
161.02316	5.5
165.01811	12.7
165.09109	2.2
167.03371	2.6
177.01837	1.1
179.03392	3.8
183.02859	5.5
189.01888	4.9
192.14647	1.4
193.01376	1.0
195.02931	1.3
197.00798	1.6
202.99548	1.1
203.03279	1.4
207.02875	3.0
214.05087	1.2
221.00844	2.7
228.02881	1.1
242.04341	2.1
247.02501	1.1
258.05258	2.7
270.03925	1.5
272.06555	1.5
278.13742	2.4
281.04504	3.0
283.05972	7.0
286.04669	6.1
287.05499	10.2
288.05191	1.2
289.03357	1.4
295.06055	6.2
297.03955	1.1
297.07486	1.3
299.05475	69.0
300.06152	10.7
309.04089	1.4
310.12750	1.0
311.05460	17.8
313.03400	4.0
313.07077	6.5
321.07547	2.2
322.07260	1.1
323.05460	15.4
324.06256	2.2
325.03391	3.9
325.07034	3.2
327.05005	1.8
329.06546	23.1
330.07474	1.1
337.03415	15.0
337.06955	2.0
339.04977	14.4
339.08679	3.2
341.06476	4.8
348.08759	1.3
349.07037	8.5
350.06567	2.7
351.04745	8.2
359.07605	1.1
360.08652	5.7
362.06653	3.6
366.09708	2.5
367.08420	2.0
376.08185	6.3
377.06506	3.3
378.06042	18.7
386.06638	1.8
394.09174	4.1
395.07504	2.2
396.06943	4.6
404.07635	41.4
405.05969	19.9
413.08771	7.9
422.08682	100.0
423.08850	5.8
440.09738	45.7
441.10251	2.8
458.10764	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	458.108
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	0.4
55.01867	0.7
55.05471	0.8
57.03405	0.5
59.04964	1.0
67.05474	1.2
68.99797	0.4
69.03428	1.7
69.07028	1.0
69.29303	0.3
70.06596	1.7
71.04960	0.5
71.74961	0.4
72.08125	0.8
73.02868	0.5
79.01857	1.4
79.05448	0.9
81.03407	1.6
81.07056	1.9
81.40634	0.3
82.06544	0.6
83.04942	0.4
84.04471	1.0
84.08094	0.9
85.02920	1.6
86.09698	0.6
89.06020	0.5
91.05441	1.0
93.03414	0.6
93.06993	1.3
94.02930	0.3
94.06545	0.7
95.01288	0.4
95.04925	0.5
95.08566	1.2
97.02866	0.5
97.10165	0.3
102.05489	0.3
105.06983	0.8
107.04932	0.6
107.08551	1.0
108.08119	0.4
108.08887	0.4
109.02834	0.9
109.06466	0.4
109.10117	1.2
109.64364	0.3
110.07133	0.3
110.51768	0.2
111.04424	0.3
117.05442	0.8
119.08548	1.0
120.08054	0.4
120.08868	0.3
121.02869	0.5
121.06430	0.4
121.10099	0.8
123.08004	0.4
123.11704	0.4
125.09586	0.6
127.03827	0.4
130.04910	0.4
131.08536	0.5
132.08913	0.3
133.10085	0.9
135.04417	1.4
135.11658	0.6
136.05161	0.8
136.07524	0.6
136.50125	0.3
137.02324	11.1
137.05905	0.3
137.09558	0.3
142.08571	0.8
147.04430	0.4
147.07620	0.4
147.11627	0.9
148.11978	0.8
149.02347	0.3
149.13255	0.4
151.03854	0.4
153.01807	0.6
154.08598	1.5
159.11676	0.3
161.02328	1.1
161.05948	0.4
163.03900	0.5
165.01791	1.1
165.09087	1.3
167.03394	0.4
171.02872	0.4
174.14937	0.3
175.07513	0.7
177.01781	0.4
178.02570	0.3
179.03395	2.2
183.02849	0.6
187.03925	0.4
189.01749	0.3
191.14343	2.0
192.04370	0.3
192.14647	3.0
193.12140	0.3
195.02818	0.4
198.06671	0.3
201.05341	0.4
203.03387	1.1
205.01228	0.5
207.02786	0.7
209.15308	0.7
210.05807	0.4
210.15659	1.1
213.05380	0.6
227.07043	0.8
229.04848	2.0
243.06471	1.1
244.07407	0.6
254.05727	0.3
257.04492	0.5
258.05246	4.8
259.05991	1.3
271.05960	4.8
272.06744	6.2
275.05298	0.3
275.19879	0.4
283.06097	0.8
284.06821	1.0
286.04678	5.9
286.07541	0.6
287.05380	3.2
288.05215	0.6
295.05972	0.7
299.05472	39.5
300.06235	31.9
301.06744	2.4
303.06763	0.3
311.05475	8.3
312.06039	0.5
313.07031	37.6
314.04086	0.7
314.07376	1.4
315.05017	0.8
323.05466	1.1
324.06238	0.3
325.07019	0.4
327.04953	9.3
327.08124	0.4
328.05453	1.0
329.06525	42.1
330.06839	1.7
332.05270	0.7
339.04944	1.8
339.08463	0.6
340.05765	1.1
341.06534	10.2
349.06659	0.5
351.04907	2.5
357.05988	1.2
358.06757	2.2
359.07562	20.8
360.08255	1.3
367.08075	0.3
369.06061	0.9
378.06119	1.7
385.09192	1.6
394.09171	0.8
395.07718	0.5
396.06961	1.0
404.07507	2.1
405.06082	0.8
413.08566	2.8
422.08682	10.3
422.29166	0.4
423.08792	0.5
440.09741	14.5
441.10229	0.8
458.10782	100.0
459.11014	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	458.1078
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	1.0
56.27779	1.0
61.15090	0.9
67.01856	1.0
68.99802	3.2
69.03408	0.9
69.43688	2.9
69.44112	7.5
70.06578	4.1
72.08146	2.1
78.44415	1.0
79.01826	1.6
84.04508	2.0
84.08141	3.8
85.02904	1.6
86.09695	2.8
88.03894	1.2
91.05452	1.4
93.03419	1.7
95.01351	1.4
105.07030	1.3
110.07223	1.2
111.04442	1.4
117.03416	1.4
120.08014	1.2
121.02860	1.2
127.03928	1.2
128.30612	1.0
129.10263	1.4
131.04877	1.0
134.59645	1.0
135.04399	4.6
137.02322	18.5
137.03380	1.8
137.05965	2.4
140.05066	1.0
147.04436	2.1
153.01794	2.2
160.03993	3.3
161.02303	5.8
161.05919	1.3
165.01831	9.6
167.03329	2.2
179.03403	4.4
183.02890	6.6
187.03896	2.1
189.01791	4.7
193.01353	2.0
195.02710	1.2
197.00734	1.0
207.02881	1.8
221.00819	2.5
221.04340	1.2
229.04878	1.6
242.04469	1.7
245.04443	2.2
246.03824	1.1
258.05252	4.7
270.04004	3.2
271.06125	2.5
272.06720	2.4
275.10510	1.0
281.04388	3.8
283.06042	3.8
285.04068	1.8
285.07291	1.2
286.04688	10.7
287.05466	9.5
288.05042	2.5
289.03516	1.2
295.05963	3.4
299.05466	78.9
300.06161	16.7
301.07275	1.2
309.03812	1.5
311.05484	20.1
313.03461	2.7
313.06940	15.8
321.07800	2.5
323.05472	10.6
325.03400	4.9
325.06940	2.6
327.04935	6.5
329.06509	18.7
337.03452	12.2
337.07040	1.5
339.04990	11.0
339.08777	2.5
341.06512	4.9
348.08624	1.8
349.06891	8.2
351.04874	7.6
354.06009	5.0
355.04553	1.1
357.05457	1.1
359.07657	8.4
360.08633	5.8
362.06717	4.9
366.09720	1.5
374.49234	1.1
376.08200	6.8
377.06519	4.6
378.05960	10.7
386.06439	2.9
394.09122	5.1
395.07843	2.3
396.07312	3.2
404.02240	2.2
404.07590	45.8
405.05978	21.4
413.08667	6.6
422.08658	100.0
423.08667	3.8
440.09747	55.0
441.09842	2.8
458.10806	30.1
458.16714	1.9
459.11096	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2067
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10287	1.4
53.03941	4.7
55.01859	7.0
55.05502	11.8
57.03431	3.7
57.07059	2.4
59.04964	1.5
61.02908	3.5
65.03938	2.3
67.05486	7.5
68.99785	1.8
69.03421	24.9
69.07055	10.4
69.41845	14.1
69.42255	3.3
70.06584	3.2
71.04981	7.8
72.08132	2.8
73.02897	3.4
79.05490	10.7
81.03410	12.6
81.07044	20.4
83.04967	20.8
83.08603	11.3
84.04510	1.8
85.02894	31.6
85.06534	2.6
86.09682	4.0
87.00833	9.4
91.05466	8.8
93.07035	14.9
95.04964	12.9
95.08590	29.2
97.02885	10.4
97.06535	8.0
97.10123	2.4
99.04436	6.6
99.08106	5.2
103.03941	4.2
105.01829	4.0
105.07034	12.3
107.04929	3.6
107.08577	44.0
109.02849	13.5
109.06515	10.3
109.10137	21.1
111.08056	5.0
113.09582	3.1
115.05473	1.9
119.08578	8.5
120.08158	1.4
121.06474	9.3
121.10128	41.4
122.07289	2.4
123.04473	1.8
123.08038	9.9
123.11710	4.9
125.05997	3.2
125.09633	18.9
127.03905	16.3
127.11137	1.8
129.01793	2.0
130.04961	2.3
131.08543	7.7
133.10117	21.5
135.08031	17.7
135.11676	8.4
137.02309	2.8
137.05963	2.6
137.09602	17.0
139.11147	14.2
145.04837	3.3
145.10132	4.8
145.38202	1.6
147.08020	2.8
147.11659	15.1
149.05933	2.0
149.09601	17.3
149.13242	20.1
151.11160	96.5
152.11514	1.8
153.09081	5.8
158.10875	3.0
159.02840	5.4
163.07585	1.5
163.11168	2.6
163.14793	17.3
165.09093	7.1
165.12726	8.7
167.06985	3.2
171.02899	1.7
173.13260	18.8
181.12213	12.5
185.08131	1.6
189.03928	7.3
191.14288	100.0
195.10226	2.7
209.08040	2.4
209.15346	88.2
233.15387	3.8
242.16689	1.9
257.15469	1.9
297.07758	3.1
299.05478	3.4
300.06235	3.1
311.05441	2.1
325.07007	4.9
329.06491	3.8
337.06918	3.5
404.07639	1.9
422.08670	2.4
439.09955	3.0
439.20026	2.7
440.09818	3.7
457.10858	3.1
457.19965	8.0
458.10800	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	457.2065
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39896	0.6
53.03923	2.3
55.01847	2.7
55.02081	0.6
55.05488	2.0
57.03411	2.0
59.05000	3.5
61.02898	2.1
67.05501	3.1
68.99769	1.3
69.03423	14.1
69.07046	1.7
70.06593	0.8
70.32784	2.7
71.04974	2.5
72.08132	1.2
73.02904	1.2
74.08678	0.6
79.05470	2.1
81.03410	12.5
81.07041	6.1
83.04981	3.5
83.08588	1.3
85.02898	19.0
86.09692	0.7
87.00394	0.8
87.00827	7.1
89.06033	1.3
91.05453	2.5
93.07037	3.1
95.04964	7.0
95.08601	4.4
97.02887	6.5
97.06505	1.2
98.21373	0.8
99.04451	4.0
99.08091	0.8
103.03919	0.7
105.01841	5.0
105.07036	3.5
107.04905	0.9
107.08590	8.1
109.02876	7.6
109.06503	11.8
109.10164	3.8
117.01847	0.9
119.08562	3.6
121.10138	12.5
122.07275	2.5
123.08066	5.2
123.11685	2.1
127.03907	13.0
128.52325	0.6
129.01819	1.0
131.08533	1.9
133.08589	0.7
133.10123	9.2
135.08031	4.8
135.11662	1.4
137.02406	0.8
137.09604	20.2
142.03226	0.8
145.04921	3.9
147.02995	0.7
147.07936	0.8
147.11647	1.6
149.09619	8.3
149.13226	6.1
150.10408	0.7
151.11168	20.5
153.09097	1.7
158.10863	1.4
159.02876	4.8
163.14790	1.5
165.01811	0.6
165.12738	33.9
173.13225	2.6
187.28336	0.6
191.14314	13.0
193.15871	2.1
206.73030	0.6
209.15355	100.0
210.15703	1.9
231.05005	2.7
295.06046	0.6
299.05530	3.3
311.05371	1.0
323.05542	0.7
325.06787	1.0
329.06534	1.3
337.06961	1.2
378.06018	0.8
404.07751	0.9
405.06223	1.3
422.08731	3.7
440.09760	1.9
457.24075	2.7
458.10825	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2065
Annotation	Unknow
Peak:m/z	Relative Intensity
53.65371	1.4
55.05502	2.1
55.74152	1.4
56.41944	1.6
63.30146	1.4
67.05492	1.8
68.99770	2.3
69.03417	5.7
70.33163	6.7
71.04990	1.8
79.05478	6.9
81.03403	3.6
81.07045	6.4
83.04957	3.2
85.02895	5.2
86.58770	1.6
87.00760	2.2
91.05473	6.9
93.07030	2.7
95.08605	3.0
97.02886	2.7
105.07027	6.8
107.04947	4.8
107.08600	18.2
109.06495	6.6
109.10152	6.5
117.07018	2.4
119.08587	2.8
121.06486	2.0
121.10130	13.8
122.07268	4.9
127.03909	5.4
133.10121	100.0
135.04387	4.6
135.08061	10.7
137.02351	11.1
137.05966	1.6
137.09602	46.7
137.30876	2.0
140.35918	1.5
145.04997	1.8
146.09731	1.7
147.11618	3.1
149.13234	7.6
151.54616	1.9
160.04007	1.7
161.02351	4.0
163.14830	2.5
165.01828	9.5
173.13266	4.4
179.03337	2.9
183.02879	3.3
183.13318	1.9
189.01884	3.0
191.14307	46.6
207.02879	2.5
209.15385	3.1
213.03914	2.5
221.00697	1.5
222.41609	1.8
253.60980	2.0
258.05304	2.5
283.06015	3.8
286.04651	5.7
287.05469	5.9
295.05933	5.0
296.82990	1.9
299.05472	57.7
300.06320	4.8
311.05408	11.3
313.07056	2.1
323.05429	12.2
324.05972	2.0
325.03403	3.6
325.07031	4.5
327.04794	2.7
329.06540	20.1
337.03278	9.5
337.07059	3.7
339.04977	7.7
339.08542	2.6
346.57257	1.8
349.06946	6.7
351.04953	6.7
360.08545	3.1
362.06558	2.1
366.09509	2.4
367.07822	1.9
376.08118	7.0
378.06082	17.4
394.09247	4.3
395.07449	4.0
396.07315	3.7
404.07602	31.6
405.06030	18.6
413.08533	6.2
422.08716	83.4
440.09747	40.6
458.10745	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	457.2063
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43625	1.2
53.03919	2.4
55.01863	5.5
55.05502	8.1
55.15856	1.4
57.03421	2.2
57.07067	1.8
61.02931	2.7
67.05498	9.8
69.03423	28.4
69.07062	11.3
70.06575	4.4
70.88802	4.5
71.04987	4.4
72.08141	2.9
73.02892	3.3
79.01849	1.7
79.05492	7.4
81.03407	8.6
81.07041	14.8
83.04969	6.9
83.08610	3.6
84.04506	3.2
84.08144	3.8
85.02888	13.0
85.06544	2.4
86.09686	1.5
87.00822	5.8
91.03988	2.0
91.05455	12.3
93.07036	15.6
95.04945	2.9
95.08595	17.5
97.02884	5.8
97.06515	4.9
97.10167	2.1
99.04446	4.2
99.08075	2.0
105.01845	3.6
105.07008	12.2
107.08571	18.6
109.02884	5.8
109.06498	4.0
109.10141	10.1
111.08072	2.9
117.07008	3.3
119.08569	12.2
121.06496	10.3
121.10136	15.3
123.08060	5.8
123.11684	4.7
125.09621	11.3
127.03901	6.4
131.08575	8.3
133.10114	11.1
135.04414	2.3
135.08032	11.3
135.11690	6.7
137.02336	8.2
137.05951	1.9
137.09583	8.4
143.08556	2.4
145.04990	4.0
145.10098	8.2
147.08035	1.6
147.11659	26.1
149.09636	9.9
149.13235	8.3
151.07510	2.7
151.11122	2.8
153.09030	3.8
157.10023	2.3
158.10858	1.9
159.02879	1.8
159.07948	1.9
159.11638	2.4
161.09608	5.0
161.13232	2.9
163.11195	3.7
163.14815	4.2
165.09097	44.1
165.12732	1.9
173.09648	2.0
173.13254	13.3
175.07518	2.4
179.03476	2.1
187.07637	1.5
191.14287	100.0
192.14594	1.9
203.03491	1.6
203.10748	3.2
205.12201	2.6
209.15350	54.8
229.05084	3.0
258.05222	3.1
271.06067	1.9
272.06940	4.3
277.21722	1.8
277.25302	3.1
286.04572	3.7
299.05441	28.9
300.06216	22.1
300.09302	2.7
303.42270	1.5
308.74164	1.7
311.05365	7.5
313.06985	28.0
322.36411	1.6
325.06964	2.0
327.04962	9.3
329.06497	30.6
341.06497	6.6
351.04953	2.2
351.08777	1.7
358.06778	2.6
359.07565	19.1
361.00055	1.5
378.05878	1.9
382.10550	1.5
422.08640	7.7
439.20111	1.8
440.09772	12.3
457.11588	2.2
457.20172	2.0
457.33948	3.8
458.10770	80.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2059
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.7
55.01867	3.0
55.05494	1.8
57.03412	1.1
59.04989	1.8
61.02913	1.3
67.05500	2.8
68.99776	1.2
69.03429	13.9
69.07056	2.9
70.06587	7.6
71.74733	1.4
72.08153	7.8
73.08472	0.8
79.05492	4.0
81.03416	4.8
81.07046	4.9
83.04980	1.0
83.08625	1.7
84.04472	1.1
84.08130	3.7
85.02906	8.3
86.09697	3.9
87.00828	2.4
87.30719	0.7
89.06050	1.1
91.05503	5.4
93.07040	7.6
95.04980	1.4
95.08602	2.9
97.02865	2.4
97.06526	1.0
98.98491	1.3
99.04475	1.7
103.39860	0.9
105.01847	2.2
105.07018	4.2
107.04923	1.8
107.08580	11.1
109.02879	2.6
109.06501	1.6
109.10190	1.6
111.04388	0.9
111.08111	1.1
116.07095	1.0
117.07043	2.2
119.04947	1.5
119.08556	5.2
120.08107	1.9
121.02885	2.5
121.06493	4.0
121.10133	4.1
123.08055	2.4
127.03922	3.7
129.10248	2.2
131.08514	5.2
133.10112	5.2
135.04405	2.5
135.08025	4.7
135.11641	1.4
137.02325	11.2
137.09674	1.0
144.57341	0.9
145.10130	2.8
147.04327	1.1
147.08067	2.5
147.11676	27.0
149.09592	7.1
149.10619	1.1
149.13248	9.4
161.02316	2.1
163.11217	1.4
173.13275	9.6
176.11908	1.2
177.05540	1.5
179.03343	1.4
181.04929	1.1
189.01863	1.7
190.02650	1.3
191.03412	2.0
191.14294	82.1
192.14697	2.2
193.12288	1.6
195.02928	2.8
201.05382	1.1
203.03459	1.1
205.04970	1.4
207.02856	2.0
209.15359	100.0
210.15715	1.3
218.99292	0.9
219.02966	2.0
221.19133	0.8
230.66141	0.9
233.04384	1.1
241.05020	1.6
256.07190	0.9
267.06509	1.3
268.07022	0.9
269.04272	1.1
271.05896	1.1
279.06525	1.9
283.05997	1.2
284.06824	1.1
285.17136	1.5
293.07928	2.1
294.05069	1.2
295.05908	3.9
296.09711	1.0
297.07562	1.6
299.05511	1.0
307.05804	1.9
308.06085	1.1
308.09149	3.8
309.07568	3.1
310.04584	2.1
311.05423	6.1
311.08655	1.4
312.06097	2.5
313.06992	2.8
321.07639	2.2
323.05524	9.2
324.06253	7.4
325.07059	8.0
329.06378	1.2
335.05377	1.1
337.06805	5.0
338.07483	3.0
338.10916	1.7
339.08484	2.4
341.06476	13.1
342.06848	1.5
349.07169	2.6
350.07736	1.6
351.08679	2.8
352.05725	1.5
353.06531	14.6
354.06870	1.4
355.07819	1.8
359.09116	1.6
362.10199	2.4
365.10736	1.1
367.08099	16.1
375.08630	3.6
377.06296	1.1
379.08002	4.7
393.09570	4.5
395.07593	32.8
396.07986	2.2
403.08084	3.4
404.11282	1.6
413.17535	2.8
421.09128	17.8
421.35626	1.7
422.12949	1.3
439.10248	27.3
439.37186	3.1
440.13791	4.2
457.10709	12.5
457.16974	7.8
457.24182	3.9
458.14941	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	457.2065
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.2
55.01864	2.9
55.05501	4.4
56.05016	1.0
57.03419	2.5
57.07069	1.2
58.06573	1.4
61.02930	1.0
65.03922	1.5
67.05496	4.0
68.99747	1.1
69.03419	12.6
69.07051	4.4
69.17958	0.9
70.06582	16.6
70.14815	1.8
70.15211	2.9
71.04978	2.2
72.08145	20.2
72.99294	0.9
73.08479	1.5
75.86141	0.9
79.05479	2.9
80.05011	1.5
81.03411	10.3
81.07043	6.1
83.04978	3.1
83.08606	2.0
84.04501	3.4
84.08141	6.8
85.02895	11.3
85.06543	1.8
86.09690	14.6
87.00822	2.9
91.05462	5.6
93.03365	1.4
93.07024	4.1
95.04952	29.4
95.08605	4.6
97.02888	4.3
97.06528	1.8
99.04449	9.5
100.07619	1.7
100.11257	3.4
102.05515	1.7
103.03920	1.4
105.01874	2.1
105.03344	1.1
105.05911	1.1
105.07015	4.5
107.04933	1.9
107.08568	5.9
109.02844	5.8
109.06495	3.2
109.10110	3.3
110.07134	2.1
111.04423	4.8
111.08060	3.2
112.07630	1.0
112.11234	2.3
115.05490	1.2
116.07054	3.8
119.04926	4.9
119.08561	2.3
120.08096	2.8
121.02858	20.6
121.06477	1.5
121.10123	4.0
123.04365	1.4
123.07974	1.6
124.34021	1.1
125.09623	5.6
127.03884	7.9
128.07089	2.2
129.10222	2.6
131.08539	3.1
133.10112	3.8
135.04427	1.8
135.08043	3.8
135.11742	2.0
136.07541	2.5
137.02309	3.0
139.03894	1.4
145.02791	2.5
145.04927	2.6
145.06537	1.2
145.10152	1.5
146.06049	1.1
147.04341	2.0
147.11635	2.9
149.09592	5.4
149.10707	39.9
149.13269	2.3
150.11519	2.3
151.03923	1.6
153.09091	8.0
159.02853	2.6
159.04388	1.2
161.02301	1.9
161.05943	1.4
161.09508	1.4
163.03928	2.1
163.11163	1.5
163.14763	1.5
165.12773	1.7
173.05908	1.5
173.13261	6.9
177.01830	1.9
179.03387	4.3
182.15359	1.8
187.04005	1.3
189.01859	3.6
191.03372	2.1
191.14247	17.2
191.15721	1.3
195.02847	3.6
197.04373	1.3
203.03310	2.7
204.04057	1.2
207.02908	6.2
209.04460	1.5
209.15314	33.0
210.14862	4.2
211.07518	1.4
214.14278	1.1
215.13924	4.2
219.02847	1.7
221.04446	1.3
225.03741	1.4
229.04910	2.9
229.11957	2.1
231.04979	2.7
233.04451	1.9
234.60268	1.2
243.13423	3.0
244.20215	1.3
251.07175	1.4
255.02733	1.3
257.04367	1.7
262.17975	4.3
264.19647	1.4
267.06467	2.6
268.07199	4.9
278.19910	9.3
279.06470	4.7
279.20612	1.1
280.07272	1.4
281.22244	1.7
283.06030	2.6
285.03961	3.0
291.06454	1.4
292.07220	1.2
293.08121	3.3
294.05182	7.2
294.08505	2.2
295.05997	20.0
295.09250	2.3
295.11963	1.7
296.06570	6.9
297.07574	8.2
303.04962	1.4
305.07883	1.9
307.05975	19.0
308.06693	13.7
309.07492	3.8
311.05521	1.9
311.17819	23.2
313.06870	4.4
319.05978	1.4
320.06491	2.0
321.07553	7.8
322.08212	10.3
323.05380	3.3
323.09030	4.9
324.06058	1.7
325.07007	100.0
326.07413	4.7
332.25812	1.6
333.07516	2.1
336.06207	1.4
337.07025	27.3
337.10666	2.0
338.07498	1.4
341.06390	1.3
345.07571	1.6
347.09180	3.2
349.06851	3.4
350.07678	1.7
350.26849	2.1
351.08594	23.7
351.13116	1.9
352.08939	2.5
353.06375	5.0
354.23795	1.4
357.07324	1.7
361.07117	2.0
365.10257	10.5
367.07968	3.8
369.14618	2.0
375.08621	3.7
379.08066	57.2
380.08286	3.3
385.07300	1.7
391.07983	11.0
393.09674	2.1
395.07492	3.8
403.08020	16.7
404.08771	1.6
409.09134	17.3
421.09134	23.1
421.35965	2.2
422.29761	2.0
438.37473	1.9
439.10196	25.8
439.19333	1.9
439.37259	2.0
440.10483	2.3
440.30862	2.6
457.10980	27.1
457.19031	2.7
457.25223	14.4
457.33600	2.5
457.38623	1.7
458.11118	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1119
Annotation	FMN
Peak:m/z	Relative Intensity
53.03948	3.9
53.75732	0.7
57.03427	5.9
58.35278	0.6
58.72428	0.6
59.04997	3.5
61.02923	0.7
63.37345	0.7
65.27547	0.6
69.03426	15.1
70.06586	10.3
71.01351	0.6
71.04986	8.5
71.55131	1.0
72.08140	3.7
73.02914	4.1
80.30170	0.6
81.02931	1.3
81.03412	24.2
84.04513	1.6
84.08141	6.5
85.02905	4.8
86.09702	5.7
87.04476	1.6
87.09227	1.6
88.03991	1.0
91.05471	1.5
97.02874	2.2
98.98461	16.5
99.04443	11.8
103.05437	1.1
107.04963	0.7
110.07164	1.4
116.07101	0.6
116.99460	0.9
117.05470	7.8
118.06477	0.8
119.04984	0.7
120.08112	1.2
127.03924	0.8
129.10231	4.1
131.04919	1.3
132.08122	0.8
134.05992	0.7
134.99739	0.7
136.07555	0.9
140.99429	1.0
145.04953	0.7
145.07600	3.2
146.06024	1.6
147.04393	1.2
147.09178	2.9
154.97920	0.6
157.06413	0.8
157.07614	1.4
158.06076	1.0
159.09172	5.0
170.07085	2.1
171.09210	1.5
172.08688	26.9
173.07094	4.2
173.08995	0.8
174.10175	1.4
175.08609	3.8
177.00684	0.8
177.05611	0.8
184.08702	2.4
184.25798	0.8
185.10820	1.2
185.16447	0.7
186.10295	1.5
190.09784	1.6
191.08131	1.0
195.01120	2.5
196.01389	2.0
197.10860	0.9
198.06586	6.5
198.10298	2.4
199.12410	1.1
200.08180	3.6
209.10822	1.3
210.10252	1.4
212.08162	0.8
214.09706	5.2
216.07664	21.7
218.09198	2.5
219.07619	2.7
224.11755	2.6
225.10117	0.8
226.09805	1.3
228.06412	3.8
229.08568	1.6
240.03111	1.3
243.08754	50.1
244.07085	1.4
252.11374	1.6
254.12888	0.7
257.10294	0.9
269.03308	0.7
285.09741	1.7
296.11237	1.5
297.09991	1.1
307.08307	0.7
316.12915	2.7
317.08261	1.4
320.72937	0.7
323.11249	2.3
325.07144	0.9
326.62085	0.7
334.09491	1.7
334.13504	0.9
335.09485	1.1
341.12378	9.4
359.13483	41.8
360.13654	1.9
377.14413	4.8
396.09467	8.7
397.08096	1.5
403.07675	1.2
414.10583	12.8
415.09052	1.1
421.09134	6.9
439.10120	100.0
440.09970	3.6
455.11664	0.8
457.11130	36.8
458.11819	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.1498
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.3
55.01857	0.2
56.05030	0.4
60.04517	0.4
62.06086	0.4
65.03931	0.5
69.03415	1.0
69.07063	0.3
70.06586	5.9
71.04954	0.3
71.06892	0.3
71.74638	0.3
72.08147	1.4
73.02882	0.3
74.06065	0.3
75.28822	0.2
81.03406	1.2
84.04509	0.5
84.08127	2.1
84.31792	0.2
85.02900	1.8
86.06070	0.2
86.09702	2.0
87.00819	0.7
88.03979	0.3
91.05470	3.3
95.04938	0.3
97.02900	0.6
98.09643	0.2
99.04440	0.4
102.05492	0.3
105.01893	0.3
109.02881	0.7
110.07159	0.6
116.07063	0.8
119.04932	11.4
120.08089	0.5
127.03909	0.7
129.10208	1.1
130.05031	0.3
136.07515	0.3
145.04973	0.3
147.04393	100.0
148.04744	1.2
159.02937	0.3
160.69131	0.2
162.05457	0.7
173.12724	0.2
190.08612	0.7
191.07071	0.5
208.09673	37.7
209.10028	0.7
214.48372	0.2
229.88927	0.3
310.11255	0.8
444.26132	0.3
456.15381	0.3
456.27621	0.3
463.27402	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.1497
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	0.1
62.09063	0.1
65.03930	0.6
69.03416	0.7
69.69720	0.9
70.06583	1.3
72.08147	0.3
73.02904	0.3
81.03434	0.8
84.04465	0.2
84.08126	0.8
85.02902	1.3
86.09690	0.5
87.00794	0.4
88.03947	0.6
90.84657	0.1
91.05467	4.9
91.06033	0.3
94.14694	0.1
97.02880	0.3
97.65860	0.1
99.04436	0.2
105.01840	0.4
107.04922	0.2
109.02847	0.8
110.07119	0.3
118.99956	0.1
119.04928	15.8
120.05199	0.2
121.01031	0.1
121.06519	0.6
127.03887	1.2
129.10231	0.5
131.04912	0.1
136.07628	0.2
137.14911	0.1
145.04915	0.4
147.04390	100.0
148.04709	1.6
149.00539	0.3
157.06497	0.2
159.02882	0.3
187.07559	0.4
189.05577	0.1
190.08594	0.3
191.06984	0.2
195.01100	3.6
196.01469	0.1
203.06934	0.2
208.09660	2.8
213.03772	0.1
213.05614	0.2
226.34254	0.2
227.06960	0.2
231.06596	2.7
249.06073	0.3
255.06444	0.4
269.66589	0.1
273.07593	0.8
377.08624	0.3
395.09677	0.8
413.10797	1.3
424.64297	0.1
456.15265	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.2634
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	6.6
55.01859	6.3
55.05507	15.7
57.03437	4.5
57.07051	1.8
65.03933	2.5
67.05497	31.1
69.03407	3.6
69.07061	14.4
70.06579	2.0
71.03573	1.6
71.03893	1.4
71.04976	6.3
79.05016	2.1
79.05484	37.6
80.82143	0.9
81.02659	1.0
81.03406	21.4
81.07045	95.8
82.07384	1.4
83.04960	5.3
83.08611	12.9
85.02889	3.8
85.06523	2.3
91.05467	36.6
93.07036	28.2
95.04948	10.7
95.08597	20.9
97.02850	2.2
97.06513	5.9
97.10154	2.0
99.04441	7.5
99.08054	1.3
105.07019	29.3
107.04926	9.3
107.08571	19.0
109.02863	12.5
109.06506	36.9
109.10143	9.0
111.08057	3.8
113.06018	1.2
117.06985	7.0
119.07729	2.2
119.08559	26.1
121.06481	4.1
121.10126	14.3
123.08055	6.6
123.11705	5.6
125.09631	1.9
127.03896	3.2
129.07001	4.1
131.08548	12.3
133.06477	1.8
133.10112	22.4
135.08051	6.5
135.11684	6.8
137.09587	3.7
139.11176	1.2
141.06969	1.0
143.08560	2.5
145.04967	1.2
145.06491	1.5
145.10110	12.8
147.07977	2.5
147.11668	17.0
149.09619	8.9
149.13229	12.2
151.07503	1.9
151.11186	2.9
155.08614	1.5
157.10144	4.8
159.11662	9.1
161.09502	2.5
161.13243	4.1
163.11212	6.6
163.14783	5.2
165.09096	2.0
165.12759	6.2
169.10117	1.2
171.11633	3.4
173.09610	2.0
173.11829	1.4
173.13258	7.4
175.11160	2.6
175.14838	1.8
177.12720	2.6
179.14384	1.1
183.11676	1.8
185.13293	2.0
187.11156	1.7
187.14742	2.5
191.10612	1.1
191.14288	1.9
193.12247	4.2
197.13213	1.7
201.12659	2.2
203.17918	1.6
213.16373	2.7
219.13785	1.3
226.10954	2.1
229.19487	4.6
231.17473	5.1
233.15385	1.0
239.17906	1.7
247.20566	11.2
257.19067	7.4
275.20029	100.0
276.20502	2.3
293.21078	9.8
367.12195	1.1
409.17514	2.9
419.24197	4.0
437.25580	4.5
438.25067	1.8
455.26602	10.3
455.32233	1.6
456.26065	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	455.2635
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	7.6
55.01870	10.0
55.05508	21.8
57.03413	7.6
57.07063	2.1
59.05016	2.1
61.02906	2.2
65.03926	3.4
67.05137	3.7
67.05498	68.4
69.03417	13.9
69.07060	24.7
70.06573	5.5
71.04980	15.2
71.74998	1.8
71.75405	3.1
72.08142	3.3
77.03840	1.7
79.05486	33.6
81.03409	29.1
81.07049	100.0
83.04956	9.5
83.08620	13.3
84.00121	1.8
84.08109	2.2
85.02892	18.0
85.06525	7.7
91.05470	52.8
92.88562	1.7
93.07040	36.0
95.04966	17.2
95.08595	33.5
97.02885	7.4
97.06522	12.3
97.10148	3.7
99.04421	8.8
99.08092	3.7
102.82544	1.7
105.07014	39.5
107.04948	10.3
107.08572	24.7
109.02887	11.3
109.06498	20.1
109.10150	30.4
111.08068	6.0
115.05431	2.4
117.07035	9.7
119.08576	32.1
121.06482	6.3
121.10128	15.7
123.08048	7.8
123.11705	13.1
125.09624	3.1
127.03906	12.2
129.06978	4.8
131.08554	15.2
133.06465	2.3
133.10103	24.5
135.08009	4.6
135.11655	8.8
137.09608	5.9
139.11147	2.1
143.08504	2.2
145.04910	2.0
145.06503	1.9
145.10080	15.6
147.08061	4.1
147.11671	27.1
149.09575	10.0
149.13257	8.9
151.11169	6.3
155.08476	2.2
157.10091	4.8
159.08005	2.0
159.11615	9.2
161.09621	2.4
161.13228	5.3
163.11159	10.6
163.14716	3.5
165.09100	4.7
165.12724	9.3
169.10117	2.9
171.11679	4.3
173.09589	2.8
173.11739	5.0
173.13300	6.5
175.11160	6.2
176.17223	1.9
177.12718	5.1
185.13310	2.3
187.11174	3.0
187.14873	2.7
189.12668	1.8
191.14514	2.5
193.12231	2.7
197.13300	2.3
219.21091	1.6
226.10907	2.3
229.19652	2.9
239.17941	3.9
247.20575	5.9
249.15070	2.2
257.18979	9.0
275.20050	57.8
293.13187	5.8
293.21133	19.8
411.27283	5.3
419.24133	2.8
437.25354	4.4
455.25269	5.7
455.30432	6.9
456.25745	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	455.2635
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29739	0.9
53.03922	2.6
55.01869	3.5
55.05275	0.6
55.05506	9.9
57.03416	2.2
57.07056	1.7
59.04990	0.9
65.03922	1.3
67.05499	22.9
69.03420	4.8
69.06696	0.7
69.07057	11.7
70.06573	2.2
70.90690	1.5
70.91067	1.5
71.04987	3.8
72.08131	0.9
79.05484	18.5
81.03406	16.1
81.07043	28.4
83.04979	7.3
83.08614	4.2
84.08113	1.7
85.02879	2.9
85.06523	0.9
91.04929	1.5
91.05471	23.9
92.05847	0.7
93.07032	21.1
95.04948	7.3
95.08597	15.7
97.06524	3.9
97.10147	2.1
99.04420	2.3
105.07018	22.5
107.04936	4.9
107.07909	1.2
107.08578	15.3
109.02872	9.5
109.06518	7.1
109.10152	10.1
111.08079	2.2
117.06995	6.8
119.08562	14.2
121.06496	10.6
121.10124	10.2
123.08047	5.3
123.11694	3.8
125.09612	1.2
127.03904	2.1
129.06970	2.9
131.08556	15.0
131.61604	0.7
132.08994	0.7
133.06418	3.8
133.10101	15.5
135.08052	4.8
135.11679	4.6
137.09581	3.1
137.13243	1.5
141.07007	1.0
143.08514	2.4
145.06450	1.7
145.10106	11.6
147.08031	3.9
147.11665	11.0
149.09618	6.4
149.13261	3.7
151.11185	4.0
153.12781	0.7
155.08528	1.3
157.10065	3.6
159.08005	2.0
159.11702	6.7
161.09584	2.5
161.13304	2.8
163.11162	5.6
165.09074	3.1
165.12733	1.2
169.10054	1.7
171.11665	3.4
173.09645	2.3
173.11755	1.5
173.13223	4.2
175.11163	3.3
175.14777	1.1
177.12730	2.1
183.11647	2.7
183.13733	0.8
185.13060	0.9
187.11166	1.6
187.14824	1.4
189.11211	0.9
189.12762	1.6
189.16327	0.7
191.14296	2.9
197.13257	1.8
199.14784	1.1
201.12724	2.4
205.15776	1.1
207.13756	2.5
213.16258	0.8
215.14319	2.2
215.17960	1.9
217.15929	1.0
219.13805	2.7
219.17361	0.9
229.19427	1.7
231.17532	1.1
233.18983	1.2
239.17906	3.2
247.20488	3.9
257.18958	12.2
275.20029	100.0
276.20474	4.0
278.04892	0.8
293.21051	16.8
419.24265	5.1
437.25433	7.5
437.34644	0.8
455.26035	18.3
455.35577	1.3
456.26163	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.2274
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10365	5.9
51.97677	6.3
55.05511	40.9
56.65484	6.4
57.03432	8.7
58.84434	5.7
60.91887	5.1
60.92994	6.2
61.59821	5.6
66.51565	6.2
67.05495	32.7
67.82537	6.3
69.07039	16.2
70.06578	36.0
70.21417	24.3
72.08132	16.3
79.05482	51.0
81.07047	48.9
83.08599	28.6
84.04417	5.9
84.08124	28.2
85.06499	10.4
86.09673	10.1
91.05460	55.6
93.07035	49.8
95.04948	8.5
95.08604	36.9
97.06530	7.4
100.07651	6.9
100.11252	54.0
101.11552	11.8
104.35875	6.6
105.07024	44.6
107.08591	32.6
109.10137	11.1
111.04447	12.9
117.07001	15.2
119.08553	39.8
120.08111	15.3
121.10134	26.0
123.08083	9.5
128.07089	9.9
128.10622	7.8
129.07002	9.5
129.10313	9.1
131.08565	33.6
133.10149	61.9
135.11659	12.8
137.09625	11.7
140.07034	7.2
143.08559	14.2
145.10092	23.5
147.11700	31.3
157.10106	12.2
159.11676	9.1
162.13513	6.7
171.11729	12.2
173.13203	9.4
182.15396	21.7
183.15785	12.5
187.14731	6.7
188.26077	6.9
203.17993	7.9
210.14848	28.9
210.16806	14.1
211.15247	22.9
213.16345	31.3
228.15826	6.9
231.17461	40.0
249.18484	18.9
266.69101	7.2
275.20105	7.9
347.53458	6.9
437.10394	9.2
437.32043	34.1
455.13858	6.9
455.32700	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.0
55.01863	1.4
55.05495	3.0
57.03450	2.2
60.95785	1.0
65.03918	1.2
66.09079	0.9
67.05503	3.0
67.81522	0.9
69.03420	2.5
69.07083	1.1
69.98807	5.2
70.06586	3.9
71.04974	1.5
71.58165	0.8
72.08168	5.7
79.00027	1.2
79.05495	3.5
81.03427	3.8
81.07054	5.2
83.05004	1.1
83.08620	1.2
84.04488	1.6
84.08128	2.7
85.02897	5.0
91.05478	2.7
93.07051	2.1
94.06568	4.9
95.08561	2.4
96.08141	4.7
97.02898	1.9
97.06507	1.0
99.04436	1.0
105.07009	2.7
106.06530	2.2
107.04945	1.4
107.08614	1.3
108.04491	1.1
108.08112	3.1
109.06492	1.5
109.08468	1.2
110.06114	1.0
116.07062	1.1
117.07008	1.2
120.08125	1.6
121.10115	1.4
122.06022	34.0
124.07590	4.5
126.09131	7.2
127.03915	1.4
130.06596	0.9
131.07257	1.1
131.08574	1.1
133.06499	1.0
133.10094	1.5
133.25174	0.9
134.06035	2.1
135.04425	1.6
137.02328	3.6
138.05501	17.9
138.09096	1.6
144.08015	1.0
145.10045	1.4
148.07524	1.5
149.07124	1.5
149.09514	1.0
150.05487	8.4
150.09122	3.4
152.05806	2.4
152.07053	37.4
173.10814	1.1
175.08667	1.2
186.09161	1.7
189.10101	5.1
195.11406	1.2
199.08601	1.6
200.09438	4.4
201.10120	2.2
201.13985	1.4
212.09344	1.9
214.12349	2.2
215.08173	4.6
217.13309	1.5
227.08289	1.9
227.11749	15.4
228.08871	8.1
229.04999	1.0
229.09772	2.4
229.13368	6.9
239.11610	1.7
242.10481	1.7
243.11375	4.7
244.11943	7.4
245.12802	6.6
247.02461	1.0
257.04684	1.2
257.12836	33.4
258.13190	1.6
261.94556	1.0
275.13882	100.0
276.14215	4.7
281.19354	1.4
293.15015	3.9
295.05905	1.3
311.05557	3.6
313.07092	1.7
323.05487	6.2
324.06168	2.0
325.07074	4.8
326.07245	1.1
337.07083	3.8
341.06635	4.7
349.07019	1.8
351.08554	1.7
353.06448	4.2
361.06799	1.6
365.06552	1.5
371.07651	1.2
377.06461	1.7
381.05862	2.6
381.10385	1.5
383.07526	1.3
391.07990	1.2
393.21063	1.8
395.07568	1.9
407.07587	4.1
409.09149	3.7
411.22064	3.9
419.07498	1.7
437.08578	7.5
455.09448	12.8
455.19528	2.4
455.25403	8.9
455.34851	3.4
456.09995	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1522
Annotation	TyrMe-His-OH
Peak:m/z	Relative Intensity
57.29377	0.3
61.02901	0.8
67.84122	0.3
69.03431	0.6
69.47764	1.5
69.48191	2.2
70.06598	3.0
70.69760	0.4
72.08144	1.3
73.02904	0.4
79.05470	0.5
80.62326	0.3
81.03407	0.7
84.04517	0.8
84.08123	1.1
84.79504	0.4
85.02885	1.6
86.09669	0.8
91.03934	0.7
91.05515	2.3
94.06556	0.4
97.02903	0.9
98.21420	0.6
109.02895	0.5
110.07146	1.0
114.49685	0.3
119.04942	2.3
121.06519	0.6
122.05973	0.4
127.03901	0.5
136.07553	1.1
137.02299	1.0
145.04976	0.4
147.04395	13.7
150.12750	0.4
152.07103	0.4
164.07094	0.6
173.47920	0.4
185.07986	0.8
208.09666	0.5
221.05046	0.5
282.08591	0.8
290.59918	0.4
293.10016	0.8
293.14929	0.5
310.04694	0.6
311.05612	0.7
311.09671	0.5
323.05545	1.1
340.08200	0.5
341.06509	1.9
381.09918	0.6
419.07358	0.7
437.08932	0.9
455.15216	100.0
456.15433	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	455.1157
Annotation	Unknow
Peak:m/z	Relative Intensity
69.70866	6.2
98.21027	2.4
112.89594	15.5
151.68964	0.9
237.64027	0.8
455.11569	100.0
456.12152	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	455.1522
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31588	0.3
59.32845	0.3
61.02920	0.3
61.44596	0.3
70.06580	1.0
70.98992	0.7
72.08186	0.3
75.72066	0.3
79.05460	0.4
81.07073	0.3
84.08130	0.7
85.02898	0.7
91.05467	1.2
97.02887	0.4
110.07146	0.4
110.60925	0.3
111.04463	0.4
137.02316	0.4
147.04359	0.7
164.07164	0.3
166.83093	0.3
173.02950	0.6
194.87265	0.3
221.04999	0.4
245.05103	0.4
293.09909	0.7
311.05743	0.4
311.09723	0.5
323.05292	0.5
341.06635	0.5
407.07642	0.3
419.07715	0.5
437.08356	0.4
455.15210	100.0
456.15558	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	455.1157
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05488	2.8
56.96577	1.6
70.06580	14.6
71.74146	2.8
72.08144	21.5
84.04475	5.0
84.08145	9.8
86.09688	4.1
91.05451	3.3
98.97566	3.3
110.07155	6.6
116.98531	2.6
118.06453	1.5
119.04913	7.3
120.08082	3.9
129.10245	2.8
134.99612	1.8
147.04385	38.7
148.04709	5.2
163.03816	1.5
167.07027	4.0
191.53697	1.6
204.09959	1.9
206.05455	7.0
207.06230	9.3
208.09636	6.6
227.05356	1.8
265.68631	1.8
271.04193	2.3
281.01846	1.7
306.19287	1.8
323.09885	2.2
324.35980	2.0
356.08661	2.7
369.11569	4.3
394.61475	1.6
411.12601	36.5
455.11530	100.0
456.11786	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	454.3734
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12780	3.4
55.05490	3.3
57.07072	30.2
59.77186	3.6
60.82637	3.5
71.04024	3.2
71.08626	23.8
71.15556	4.1
71.15890	8.4
73.06536	6.2
77.04024	3.4
81.07019	4.9
85.10175	22.2
87.04453	4.9
89.06020	100.0
95.08575	4.9
97.10117	3.7
133.08588	45.8
177.11211	17.5
182.65326	3.2
190.96146	3.6
191.55484	3.2
195.12273	5.0
199.20703	3.6
219.16612	3.8
243.23204	7.3
283.17474	15.7
287.25803	4.0
299.69470	3.6
437.34784	18.0
454.33823	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.097
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47054	0.4
55.01854	1.6
55.05492	0.8
58.78132	0.4
67.05468	1.0
69.03410	0.7
69.07066	0.6
70.06580	2.5
71.05000	0.5
71.20099	0.8
72.08137	1.1
79.05466	1.1
81.03398	1.0
81.07043	2.2
83.04971	0.7
83.08585	0.6
84.08120	0.7
85.02898	0.7
85.06541	0.6
86.09720	0.6
91.05454	1.9
93.03385	2.7
93.07025	1.6
95.01344	0.8
95.08578	1.7
98.15569	0.4
105.03369	1.2
105.07008	1.4
106.20128	0.5
107.04916	0.8
107.08577	1.4
109.02876	0.9
109.10133	0.9
111.04407	0.6
114.03827	0.5
117.07122	0.5
119.04941	5.9
119.08553	1.6
120.08102	1.1
121.02861	9.3
121.10107	0.6
123.08036	0.7
127.03933	0.5
128.67310	0.5
129.10213	0.8
129.28883	0.4
131.04901	0.5
131.08548	0.7
132.08104	0.5
133.02852	0.8
133.10075	1.1
135.04440	0.6
137.02359	0.8
137.09628	0.7
145.02815	3.0
145.10135	0.6
147.04393	1.6
149.02396	0.6
149.09624	0.7
159.04308	0.9
161.02347	1.8
165.09134	0.9
171.04347	0.9
173.02316	1.6
175.03889	0.9
177.01793	0.7
179.03415	0.9
182.15450	0.5
183.04414	0.5
185.09561	0.4
187.03845	4.0
189.01814	9.2
191.03386	1.5
199.03781	1.0
201.01794	1.7
203.03403	0.9
205.04936	1.5
207.02870	7.5
215.03354	4.5
217.01288	5.2
219.02844	4.2
221.04456	0.6
227.03363	1.0
229.01294	2.2
231.02853	4.5
233.04420	1.2
235.02348	11.0
239.03400	0.6
243.02878	17.9
245.04453	0.7
247.02376	8.4
255.02809	5.5
259.02493	0.7
261.03842	0.6
271.02316	1.3
273.03705	0.8
275.20221	0.7
279.06696	0.7
283.02332	1.0
284.06976	0.5
294.05255	1.3
305.08109	0.6
307.05975	7.6
308.06583	2.4
312.06335	0.5
319.06018	3.4
321.07532	0.8
322.04678	0.8
323.05499	1.1
331.05875	0.7
333.07562	5.3
335.05457	100.0
336.05850	5.4
337.07178	0.8
345.07495	2.0
347.05490	3.7
349.03006	0.7
349.07022	9.7
353.06396	0.7
357.07428	3.2
359.05472	1.5
361.07019	31.7
362.07187	1.3
363.08685	1.0
365.06528	41.4
366.06851	1.8
373.07077	9.5
374.06900	0.6
377.06552	4.5
389.06509	53.7
390.06915	2.5
391.07983	0.9
395.07751	0.5
401.06491	10.0
411.22067	0.8
419.07587	23.9
420.07877	1.5
437.08591	1.7
455.09406	2.1
455.23215	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.2924
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71796	0.8
55.05505	4.1
57.03429	7.8
57.07072	29.5
58.84201	0.9
61.42903	0.8
62.06086	1.3
67.05502	6.4
69.07053	4.2
71.08251	1.3
71.08623	18.0
71.55028	2.2
73.02904	1.2
79.05486	0.9
81.07047	8.8
83.08601	6.1
85.10178	9.1
89.06014	5.2
93.07033	1.6
95.08597	11.0
97.10160	2.8
101.00691	0.9
103.07576	1.6
109.10123	4.5
111.08024	0.9
123.11681	1.7
133.08580	1.9
140.64392	0.9
145.10060	1.3
202.42691	0.8
233.66814	0.9
236.32271	0.8
239.23732	2.0
257.24796	2.2
282.27902	57.9
283.28110	1.7
298.27304	0.9
313.27338	100.0
314.27765	2.9
393.58981	0.9
454.34662	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.2924
Annotation	16:0 LYSO-PE
Peak:m/z	Relative Intensity
50.26205	1.1
55.05482	1.3
57.03431	2.6
57.03688	1.1
57.07072	20.6
62.06083	27.4
67.05482	2.9
69.07049	1.7
69.64398	9.0
71.08625	12.5
76.46406	1.2
81.07038	5.1
83.08603	3.0
85.10174	6.9
95.08590	6.5
97.10157	1.6
98.98448	4.6
101.93262	1.1
109.10120	3.5
141.00052	1.3
142.02621	1.3
155.01056	7.3
185.99847	1.3
188.54184	1.3
195.65602	1.1
216.06213	2.9
239.23618	2.1
282.27890	12.3
313.27328	100.0
314.27658	2.3
393.23953	6.9
446.44727	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.2278
Annotation	Unknow
Peak:m/z	Relative Intensity
55.21371	0.7
67.50123	0.8
70.06583	3.6
71.74001	1.3
72.08120	1.3
73.01559	0.8
81.03404	1.9
84.04498	1.6
84.08124	1.6
86.09698	100.0
87.09986	1.5
90.94824	1.0
97.02953	1.1
97.06488	0.9
98.97569	1.2
102.91240	0.8
107.31188	0.9
110.07156	3.8
116.98598	1.3
123.05573	3.0
125.05976	2.5
126.05441	0.9
128.70927	0.8
129.10216	1.4
132.10193	79.1
136.07573	1.1
143.07086	1.1
144.27065	0.8
147.04321	0.9
156.07539	1.2
161.08122	0.9
219.01691	0.8
267.00256	1.0
282.85480	1.0
360.96362	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.2593
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.5
55.05504	12.7
57.03423	2.1
58.42691	0.8
59.04974	1.0
67.05502	5.2
69.03408	3.0
69.07055	2.1
70.06584	4.9
70.14659	4.2
71.04986	1.5
72.08136	2.4
73.02908	0.8
73.06539	1.0
75.41999	0.8
79.01415	0.8
79.05472	3.5
80.04990	2.4
81.03393	3.2
81.07042	4.9
82.06568	2.1
83.04961	1.9
83.08611	11.4
84.04491	12.8
84.08126	2.7
85.02892	21.3
86.06062	5.0
86.09695	1.8
87.04446	1.3
91.05472	3.6
93.07035	4.5
95.01330	1.9
95.04966	1.3
95.08593	3.1
97.02856	2.2
97.10142	4.2
98.06041	1.4
98.09695	1.2
98.95835	0.8
99.04404	1.0
100.07597	3.1
100.11243	49.0
102.05544	8.7
105.07024	1.9
106.06570	1.2
107.04929	2.3
107.08578	3.0
108.04462	0.9
108.08102	20.0
109.02852	1.8
109.10115	4.6
110.05979	1.5
110.09667	10.4
111.04446	4.3
112.03929	1.0
112.07582	1.2
114.10275	1.6
116.07095	1.4
117.13924	1.1
118.06557	0.9
119.04947	0.9
119.08551	2.0
120.08079	2.2
121.08865	2.7
121.10123	1.2
122.05997	3.1
123.08028	0.9
123.11736	1.2
124.07516	1.0
125.09616	3.2
127.03904	2.3
127.08658	1.3
128.07072	3.3
130.04991	60.5
132.08041	1.2
134.09612	7.2
135.11668	1.8
136.07605	1.6
137.02350	0.9
137.06053	1.1
137.08350	9.3
137.09369	1.6
138.09132	1.3
139.08641	2.0
140.07037	1.1
142.11205	0.8
146.09578	2.0
147.11703	1.2
150.09106	1.7
153.12633	1.1
160.11218	2.5
165.09018	1.1
166.08598	1.2
167.06996	1.5
171.13739	2.4
176.10616	1.6
179.99725	0.8
182.15384	15.2
182.67877	0.9
189.84566	0.9
192.06541	1.1
194.11749	1.4
195.11270	1.6
204.13808	1.3
206.15379	1.2
209.16463	13.9
210.14891	14.4
210.88422	0.9
216.17531	1.1
220.09511	1.3
222.11252	1.9
222.14825	1.0
222.59164	0.9
226.19115	4.2
227.17545	0.9
228.16040	1.1
244.16931	11.9
248.16609	0.8
251.15102	1.4
256.15302	1.5
262.18015	22.2
279.18283	2.0
280.19046	56.5
281.19278	2.4
282.20578	1.2
289.05942	1.3
290.06320	1.6
291.06506	1.1
306.20670	1.9
307.14136	0.9
311.05466	2.7
323.05548	1.4
324.21646	30.3
325.21964	1.7
326.27963	2.3
336.22766	2.8
337.06967	1.8
351.08511	2.0
353.06143	0.9
364.21143	1.9
374.19644	1.0
379.07736	1.4
392.20682	5.3
407.07422	1.3
408.23862	1.4
409.23251	23.0
410.22107	2.7
435.24826	2.1
435.33273	17.9
436.23383	4.1
453.08099	3.6
453.25845	100.0
453.34210	60.7
454.09109	0.9
454.19196	4.2
454.25455	8.1
454.34100	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.3434
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	16.2
55.94811	3.5
58.35543	3.7
67.05505	5.6
70.70623	6.9
79.97916	4.0
83.08607	10.7
86.09695	11.6
89.05989	10.0
95.08602	6.5
98.21339	4.9
100.11243	60.8
111.04420	5.0
117.81191	4.5
119.38294	4.1
139.08665	4.7
182.15433	21.0
209.16501	14.6
210.14911	13.7
240.15002	4.1
240.56339	4.2
250.48315	4.5
300.67572	4.1
336.22791	5.1
423.56784	4.0
435.33273	31.5
453.20404	9.1
453.34341	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.1342
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08826	0.6
56.05019	0.6
60.04506	1.3
65.03920	0.8
68.58766	0.5
70.06580	4.6
71.22614	1.3
71.61726	0.5
72.08134	2.1
81.03395	1.0
84.04508	1.3
84.08131	2.5
85.02880	1.3
86.09688	1.2
87.00770	0.6
88.03944	0.6
91.05466	7.8
109.02890	1.0
110.07146	0.8
113.98027	0.6
119.04935	19.3
120.08103	1.6
127.03888	1.4
129.10324	0.6
144.51913	0.6
145.06386	0.6
147.04391	100.0
148.04726	2.1
159.48219	0.5
168.95947	0.6
196.00574	0.8
206.08156	4.1
213.12259	1.1
231.06529	2.6
234.99092	0.6
266.01062	0.9
273.07559	0.6
278.01224	0.7
368.04333	3.9
395.09912	1.0
411.12430	1.7
455.11646	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	454.1853
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61439	0.4
55.05505	1.1
60.04514	0.7
63.38673	0.5
68.05019	1.8
69.03443	0.6
69.76649	1.6
69.77086	1.9
70.06583	10.7
72.08138	1.5
76.23662	0.6
79.05476	1.8
80.05008	4.5
81.03435	0.7
81.07025	1.0
82.06570	3.3
83.08615	0.8
84.04493	0.9
84.08156	2.3
85.02868	0.6
86.09682	2.7
91.05460	1.6
93.05817	0.5
94.06573	1.0
95.04956	0.8
96.08102	0.8
100.07600	0.7
100.11243	3.6
101.11599	0.8
103.05421	0.6
105.06995	2.6
106.06540	6.0
107.04980	0.9
107.07310	0.5
108.08112	5.2
109.06503	0.9
110.07161	1.3
111.04419	1.3
114.05521	0.6
115.05466	0.9
116.07072	1.3
117.03409	0.6
120.08088	2.0
122.03626	1.4
123.04403	1.3
128.06223	0.7
129.10211	1.1
130.06470	0.5
131.04967	1.1
133.06456	1.8
137.05962	17.1
138.06317	1.7
144.05710	0.6
145.06485	1.1
146.03610	1.3
147.04396	2.3
147.08020	0.7
149.05952	1.9
151.07558	0.9
152.07079	2.2
153.06947	0.5
155.04929	0.5
157.06480	0.7
159.08044	0.7
161.05948	7.2
162.06735	1.6
165.07045	0.5
169.06516	0.5
171.08031	1.5
173.06030	0.9
175.07507	1.5
177.74733	0.5
181.06493	0.6
182.15401	1.3
184.07527	0.6
185.05940	1.3
186.09099	0.6
187.07494	1.4
189.07024	0.5
190.07750	1.0
191.08534	2.1
194.07249	1.2
195.08115	0.8
199.07523	4.3
201.09152	0.7
202.07736	1.4
203.08566	4.1
205.06641	0.5
205.10103	0.8
207.08011	1.4
208.48129	0.5
209.09560	0.7
209.16537	1.0
210.06625	0.6
210.14931	0.8
215.08633	1.0
218.07234	1.5
219.08032	5.6
220.08775	1.5
221.09537	0.5
222.06656	0.7
224.08371	0.5
225.09134	1.2
229.06485	0.8
230.07318	0.8
231.08037	5.5
232.08820	1.4
233.09660	1.5
235.07487	3.4
235.11134	0.7
237.09105	1.7
243.08020	1.2
244.08960	0.9
245.06070	0.9
245.09702	0.9
246.06731	1.6
247.07509	6.3
248.08209	3.9
249.09021	3.1
251.07022	0.9
251.10672	2.2
253.08557	1.3
257.05954	1.1
258.06680	1.0
259.07535	4.6
260.08276	1.6
261.09158	4.0
262.06180	0.8
262.09833	1.4
263.07172	2.4
263.10706	4.9
264.07776	1.3
265.08588	5.9
267.10153	0.7
269.08228	0.6
272.08255	0.8
273.09119	1.8
274.06335	0.6
275.07031	4.5
275.10233	1.0
276.07791	3.6
277.08560	5.7
278.09415	1.7
279.10208	1.4
280.10724	0.9
281.08005	1.1
289.08578	9.9
289.11780	0.7
290.09277	3.2
291.06546	1.5
291.10046	10.8
292.07556	0.9
292.10861	2.6
293.08081	7.1
293.11319	0.8
294.08835	2.0
295.13251	2.4
296.10364	3.9
297.11221	3.2
303.10049	1.2
306.08810	2.6
307.09586	3.4
308.10391	13.7
308.13748	0.8
309.11041	2.8
311.12973	0.5
321.11185	11.3
322.11682	0.6
323.12634	2.4
334.14288	0.9
339.12344	0.7
344.12756	0.9
345.13589	0.7
346.14569	0.8
348.12280	1.3
360.15805	1.0
362.13812	1.5
364.15491	0.7
376.15408	1.2
377.16354	2.5
392.18402	2.5
421.15250	0.9
424.17545	12.3
425.17728	0.6
436.17526	50.1
436.33575	1.9
437.17838	1.8
453.34406	1.1
454.18576	100.0
454.34500	5.6
455.09869	0.6
455.18979	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	453.2593
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.6
55.05502	4.9
57.03424	1.6
61.02925	0.9
62.12875	0.7
67.05487	2.7
68.99758	0.6
69.03411	1.9
69.07056	2.0
70.06572	3.0
71.00024	1.2
72.08136	1.9
79.05478	2.5
80.05023	3.3
80.05416	0.6
81.03378	1.7
81.07031	3.1
82.99766	0.6
83.04939	1.0
83.08604	4.3
84.04500	11.0
84.08131	1.7
84.21306	0.7
85.02897	15.4
85.06522	0.7
86.06062	9.0
86.09728	1.3
91.05480	2.1
93.05803	0.7
93.07025	2.8
95.01324	1.3
95.04973	1.3
95.08621	1.8
96.08121	0.8
96.70808	0.6
97.02902	0.8
97.10143	3.1
98.06051	1.8
100.11241	8.5
102.05532	6.4
105.07024	1.6
106.06543	1.4
106.58822	0.7
107.04936	1.3
107.08577	1.7
108.08110	15.1
109.02876	1.1
109.06499	1.1
109.10163	0.8
110.06048	0.9
110.09665	7.6
111.04446	1.2
112.03920	1.5
113.02372	1.4
114.10254	1.0
118.06569	0.6
119.08578	2.3
120.08114	1.7
121.06547	0.8
121.08885	1.6
121.10139	0.7
122.06001	1.2
122.09767	0.7
125.09599	2.1
127.03877	1.4
130.04988	51.8
131.08571	0.9
132.08092	1.3
133.06483	1.3
134.09625	6.2
134.10493	0.9
135.08046	0.9
137.08351	8.3
137.09502	1.0
138.09251	0.7
139.08661	0.8
142.08589	0.6
144.06549	0.6
146.09637	1.1
148.07500	1.0
148.11292	1.0
152.05646	0.7
160.11258	1.9
162.09151	0.9
167.07034	1.0
176.10710	1.0
182.15434	3.1
195.11244	1.1
204.13911	1.5
206.15341	1.8
209.16499	2.5
210.14923	2.9
211.13202	0.6
216.17509	1.0
220.09734	2.8
220.16933	1.2
221.12811	0.7
222.14967	0.9
224.16554	1.0
225.05864	0.7
238.18034	2.6
244.16966	10.1
248.16579	1.4
251.15131	0.7
253.10101	0.9
262.17993	19.4
263.18222	0.8
264.19547	0.8
270.09979	0.9
280.19049	46.7
281.19440	1.7
283.06033	1.5
284.06412	0.7
286.18097	0.9
288.19629	1.1
291.12991	0.7
306.20538	3.3
323.05557	1.1
324.05908	1.1
324.21649	25.3
336.22751	0.9
349.07245	1.3
364.21130	2.4
365.06680	0.7
392.20490	5.6
407.07849	0.8
409.23007	9.3
410.22165	0.9
435.09552	1.5
435.24884	3.1
435.33316	3.7
436.23337	6.6
453.25934	100.0
453.34174	10.6
454.19644	4.3
454.26053	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.248
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44566	1.9
53.03942	3.0
55.01856	9.5
55.05498	11.4
57.03436	2.6
57.07064	11.3
65.98474	2.3
67.05499	20.7
69.03423	4.2
69.07073	9.7
70.68299	3.9
71.04982	2.4
79.05491	16.5
81.03430	6.1
81.07051	20.4
83.01347	2.4
83.04973	4.3
83.08646	4.6
85.02909	5.4
85.10169	15.8
91.05464	19.3
93.07043	18.1
95.01320	11.3
95.04963	9.3
95.08587	17.8
95.09023	1.6
97.06521	3.2
97.10165	3.5
100.11287	2.1
103.05489	2.3
105.03387	8.0
105.07021	12.2
106.87743	1.9
107.04950	5.0
107.08598	7.4
109.02831	3.2
109.06528	3.8
109.10162	4.7
110.15160	2.4
111.04448	3.7
113.02361	2.6
113.09652	11.9
113.10675	1.7
117.07016	8.9
119.04886	2.8
119.08556	11.6
121.06502	5.0
121.10145	12.8
123.04430	2.9
125.02333	9.7
128.06216	3.4
129.06990	8.1
131.04936	2.7
131.08583	15.0
133.06512	2.9
133.10114	6.7
135.04437	6.0
135.08051	3.1
135.11661	2.6
137.05994	2.1
137.09596	3.5
139.03914	3.0
141.01904	3.2
141.06978	3.4
142.07755	2.8
143.08594	3.2
145.06477	6.0
145.10138	6.8
147.04411	3.0
147.08087	5.8
147.11705	5.0
149.05972	5.0
149.09613	5.5
151.11203	2.6
155.08524	2.8
157.06537	2.3
157.10135	3.0
159.08000	3.6
159.11711	5.6
161.06018	3.7
161.09584	3.3
163.03868	3.0
163.07597	2.7
163.11134	2.9
165.12772	5.8
167.03226	2.3
169.10117	5.5
171.08031	3.5
173.06018	5.2
173.09622	5.5
173.13266	2.5
175.11115	2.6
177.01852	8.3
177.05406	3.1
178.74483	1.9
183.08177	2.1
183.10066	3.5
187.07613	3.2
187.11215	7.5
189.05449	3.6
189.09082	3.8
197.09628	6.2
199.11230	2.9
201.09076	4.9
203.07025	7.8
203.10654	2.5
205.12292	2.2
205.49382	2.1
207.10165	3.8
209.11740	4.9
210.18506	12.5
215.10600	10.7
217.08568	3.3
219.10251	3.0
225.09081	6.3
227.21153	5.2
233.11723	6.4
237.11174	5.7
243.10123	27.1
247.09578	2.3
249.11192	2.7
253.08572	4.2
256.38391	2.0
259.09674	5.7
261.11191	16.4
263.12698	3.0
267.12354	6.0
271.09680	3.3
277.21643	5.6
279.12234	3.8
281.14075	2.6
283.11826	2.4
287.12845	2.9
289.10764	15.6
289.13559	3.2
297.13266	5.1
307.11771	25.2
325.12793	100.0
326.13010	4.0
343.18961	4.5
371.21915	3.4
387.21759	6.2
389.23114	10.1
399.21597	8.3
407.24280	4.3
417.22571	8.7
435.23730	12.8
443.29593	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	453.2479
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.4
55.01872	17.4
55.05497	22.6
57.07070	24.8
67.05498	29.2
69.07056	13.2
71.54827	5.8
72.39588	2.9
79.05478	35.6
81.03407	8.2
81.07044	38.9
83.04961	10.5
83.08604	11.3
85.10174	40.3
91.05473	19.9
93.07039	28.2
95.01292	8.5
95.04987	17.6
95.08589	25.8
97.06535	4.2
98.20922	4.1
105.03410	3.6
105.06999	20.2
107.04961	14.7
107.08583	15.8
109.06540	4.0
109.10141	8.2
111.04440	3.8
111.08073	9.3
113.09617	30.1
117.06998	15.2
119.04919	3.9
119.08571	16.9
121.06507	7.8
121.10123	11.6
123.04402	6.6
123.08071	5.1
125.02312	4.0
127.03919	3.8
128.06311	3.7
129.07011	9.8
131.04938	4.4
131.08578	12.7
132.56940	3.7
133.06468	6.7
133.10126	6.3
135.08034	5.0
135.11743	5.8
137.05927	3.5
139.11166	5.8
141.07007	4.8
143.08496	8.2
145.06454	6.6
145.10109	7.6
147.04424	7.7
147.08064	9.6
147.11659	9.3
149.05891	3.4
149.09576	5.3
151.03969	4.6
157.10194	5.2
159.08028	3.4
159.11671	9.2
161.05922	6.2
161.09523	3.9
161.13268	4.9
163.03885	7.2
163.11154	4.5
165.05475	6.8
165.12784	9.6
169.05025	3.8
169.10287	4.0
171.11667	4.3
177.12828	3.7
185.09621	4.1
187.11133	4.8
189.09122	4.6
191.14313	4.2
193.12306	4.8
197.09630	3.9
203.10675	6.0
205.12296	4.1
213.12714	3.6
215.14507	4.0
225.09378	3.7
227.10533	4.4
231.10178	10.0
235.13309	3.9
241.12256	5.9
244.52672	3.7
245.11667	5.1
249.11253	10.0
257.11533	4.2
259.13361	8.8
261.11215	5.1
261.14783	8.4
269.11798	6.9
277.14386	4.2
277.21677	11.3
287.12790	17.3
289.10800	14.3
289.21649	6.9
305.13824	13.3
305.21014	6.0
307.11926	6.7
307.22678	5.6
319.22498	6.8
323.14896	10.5
335.22217	17.9
343.18878	5.9
347.22061	9.1
351.18210	3.7
361.20172	3.9
365.23071	9.0
373.23669	12.5
379.17252	5.7
389.23325	7.3
391.24756	55.9
399.21317	11.3
407.24252	40.2
417.22647	13.7
425.25385	38.4
426.31641	3.6
435.23788	100.0
436.23886	6.3
453.24625	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	453.248
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97474	1.8
53.03941	1.9
55.01866	46.0
55.05504	30.4
57.03407	3.0
57.07077	10.9
63.94638	1.4
67.05498	35.1
69.03422	2.4
69.07066	12.4
70.13953	6.4
71.04974	3.2
71.08592	2.9
76.12474	1.7
79.05486	23.8
79.05925	2.8
81.03397	4.5
81.07046	41.9
83.04971	12.2
83.08609	20.2
85.02888	5.1
85.06535	2.2
85.10169	19.0
91.04921	1.8
91.05470	28.2
93.07028	27.2
95.01318	16.2
95.04960	13.0
95.08592	29.8
97.02895	2.5
97.06511	6.3
97.10137	3.9
98.21063	4.7
99.08022	2.1
99.87015	1.7
100.11222	2.1
105.07024	20.9
107.04923	9.3
107.08592	16.7
109.06506	6.6
109.10131	13.7
111.07300	2.5
111.08065	45.8
113.02332	2.5
113.08904	2.7
113.09629	25.8
117.06993	3.7
119.08547	12.8
121.06516	2.4
121.10139	13.3
122.65890	1.6
123.08046	4.4
123.11665	6.0
125.09575	2.4
129.01833	2.3
129.06960	3.9
131.08525	6.7
133.10109	18.8
135.11659	8.5
137.09607	3.1
137.13306	2.7
139.11147	5.8
139.19630	1.8
141.01797	12.7
143.08556	4.6
145.10170	2.0
147.08064	2.1
147.11679	16.3
149.09631	7.6
149.13231	7.0
151.11137	4.4
153.09116	2.2
153.12671	3.0
157.10097	3.5
159.11720	2.5
161.13243	9.1
163.11166	4.6
163.14758	2.9
165.12737	39.9
171.11678	2.2
173.13365	2.1
175.11169	5.0
175.14790	3.1
177.03954	3.6
179.14316	5.1
185.13173	1.8
193.12247	1.8
207.13805	2.1
221.15266	1.9
231.21011	5.5
241.19556	3.5
249.22044	10.3
249.80164	1.6
259.20581	8.7
271.11710	4.7
277.21597	100.0
278.22064	3.2
285.16840	1.6
295.22729	8.0
332.65860	1.6
343.19012	2.2
377.51468	1.6
399.21448	2.1
417.22870	3.5
435.23648	17.6
453.24759	3.8
453.34262	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	452.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23092	0.8
53.03927	1.8
55.01855	2.5
55.05493	3.2
57.03420	2.3
57.07057	1.1
60.04514	1.0
61.02909	1.9
67.05496	11.9
69.03419	7.0
69.07069	3.9
70.06598	5.1
70.94112	2.9
71.04982	20.5
72.08128	3.1
73.02879	1.5
79.05467	4.6
81.03397	5.9
81.07050	10.8
83.04960	2.6
84.08130	3.8
85.02892	16.0
85.06533	32.5
86.09686	3.5
87.00827	4.6
87.04439	1.0
89.46283	0.8
91.05464	10.4
93.07003	5.3
95.04939	1.6
95.08596	1.9
97.02895	4.5
97.06546	1.4
98.09671	0.8
99.04421	2.7
105.01830	2.6
105.03381	1.7
105.07012	12.0
107.08574	12.8
109.02869	6.7
109.06506	1.6
109.10137	19.3
112.11244	1.1
118.06541	1.3
119.08509	1.3
121.10091	0.8
123.07945	0.9
123.11658	2.8
125.09527	1.9
126.66054	0.9
127.03902	9.0
127.07521	1.1
129.10243	0.8
131.08536	1.9
133.10109	36.2
134.04576	0.9
134.10451	1.2
137.05936	1.2
143.10614	0.8
145.04968	2.6
151.11166	35.4
159.02896	1.4
167.07033	1.0
169.12225	30.3
187.13272	100.0
188.13626	2.5
203.03401	1.8
213.03934	1.1
230.15361	3.0
231.04909	1.3
250.20564	1.0
268.71597	0.9
291.06314	0.8
292.07123	1.2
295.15543	0.8
305.08057	3.3
311.05261	0.8
311.24026	1.8
333.07587	1.9
351.04944	1.6
363.08298	1.7
389.10403	1.2
417.09778	4.7
434.08578	1.4
434.21204	1.5
435.10641	3.2
452.10852	1.0
452.17731	0.9
452.26120	1.0
453.11844	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.2769
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82458	1.8
55.05521	10.4
57.03435	5.3
57.07075	5.4
62.06083	33.6
64.87254	2.0
67.05484	9.1
69.07069	18.8
69.28288	1.9
70.06570	2.0
79.05479	3.4
81.07058	14.8
83.08585	11.8
93.07042	5.1
95.08604	9.6
97.06488	2.0
97.10161	3.7
98.98474	8.9
101.37342	1.8
106.49406	1.8
107.08569	2.1
109.10132	4.1
121.10145	7.2
123.11765	2.5
135.11679	4.5
155.01056	6.9
216.06255	3.0
237.22160	6.7
239.14738	2.1
280.26306	15.2
309.20435	2.2
311.25766	100.0
312.26309	3.8
357.31100	2.0
391.22620	3.0
434.26587	2.0
452.32614	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	452.3495
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98705	0.4
55.05502	0.7
56.05016	0.9
57.07079	0.5
58.06588	0.6
60.08154	11.8
67.05494	0.7
69.07049	0.6
70.06575	0.4
71.07363	3.6
71.74973	0.5
76.57270	0.4
81.07047	0.7
85.06560	0.4
86.09692	25.7
91.05441	0.8
93.07024	0.7
95.04970	0.4
95.08579	0.6
98.98451	3.3
104.10728	100.0
105.11049	0.5
124.99985	19.9
127.07593	0.4
127.78840	0.4
137.54468	0.4
143.00980	0.6
184.07317	23.1
185.07782	0.4
224.99551	0.4
272.55072	0.4
280.26361	0.7
283.40594	0.4
295.62881	0.4
452.34952	20.7
453.34921	1.0
465.57883	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1752
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25633	2.0
51.80815	2.6
55.01859	2.0
55.05500	3.6
57.40908	2.7
61.02916	2.9
66.76321	1.8
67.05495	4.9
69.03427	5.0
69.07072	2.1
70.06584	10.2
71.04978	6.5
72.08156	7.3
79.05502	11.0
80.05010	2.5
81.03407	4.4
81.07059	24.2
82.07396	6.8
83.04977	2.5
84.04501	10.5
84.08169	5.7
85.02895	25.5
85.06545	3.0
86.06052	5.4
86.09711	4.7
91.05480	5.6
93.07031	6.1
94.06590	2.7
95.04963	3.4
95.08628	4.7
96.08131	2.2
97.02885	5.0
99.04481	3.1
99.08102	2.2
102.05561	6.3
105.07014	19.5
107.04948	42.4
107.08588	4.5
108.08102	12.3
109.02879	4.0
109.10159	4.4
110.07149	2.4
114.10268	5.6
117.07074	2.2
119.08573	4.0
120.08166	2.4
121.10152	4.1
125.02383	6.0
125.09624	2.1
127.03903	3.9
128.04056	1.8
129.07033	2.2
130.04993	47.4
130.06494	2.2
131.08571	2.3
133.06477	65.7
133.10117	3.2
134.09702	2.7
137.06017	4.4
137.08333	3.1
137.09579	2.2
141.05470	10.3
143.10561	3.2
145.06519	2.2
147.08035	6.2
155.10783	2.0
157.06538	3.1
165.70158	2.0
167.07030	31.2
169.10986	2.1
169.12170	11.0
170.12520	9.4
171.81090	2.0
185.09610	1.9
189.16437	2.6
208.09720	2.6
220.09598	10.2
220.16992	4.2
222.14978	4.4
237.00305	2.3
238.17984	12.9
244.16965	6.9
262.18033	15.3
273.11139	16.3
280.19119	22.5
291.12244	57.6
306.20786	2.5
311.05502	3.3
323.05035	2.6
324.21719	20.9
337.07074	2.8
349.06848	2.4
350.19360	2.1
373.81516	2.4
379.08151	2.6
409.23303	18.2
436.23502	9.2
453.21146	6.6
453.26068	100.0
454.20105	2.6
472.63458	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	452.1583
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46114	0.4
53.03915	0.4
55.01849	0.6
56.05013	0.6
56.17235	0.6
57.03430	3.7
60.04509	0.5
61.02920	1.3
65.03929	1.0
68.05024	1.3
69.03426	4.0
70.06585	2.8
71.04057	1.0
71.04985	16.4
72.08144	0.8
73.02919	1.4
81.03409	1.3
83.04924	0.6
84.04498	0.9
84.08134	1.1
85.01118	0.9
85.02896	26.2
86.09717	1.2
87.04436	1.1
91.03952	0.6
96.35162	0.5
97.02876	2.4
98.00580	0.7
99.02686	1.4
99.04429	0.7
99.58459	0.5
103.03973	0.5
109.02851	1.3
109.10099	0.5
110.07148	1.0
111.04385	0.5
113.02995	1.1
120.08107	0.9
126.03729	19.2
127.03875	1.9
127.04565	1.7
129.05492	2.7
129.10201	0.9
131.81610	0.5
144.04771	100.0
145.05026	2.1
157.60002	0.5
158.23354	0.5
186.05832	2.6
255.01912	0.5
277.80029	0.5
306.10028	72.0
307.10251	1.5
452.15759	1.4
462.51843	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23092	0.8
53.03927	1.8
55.01855	2.5
55.05493	3.2
57.03420	2.3
57.07057	1.1
60.04514	1.0
61.02909	1.9
67.05496	11.9
69.03419	7.0
69.07069	3.9
70.06598	5.1
70.94112	2.9
71.04982	20.5
72.08128	3.1
73.02879	1.5
79.05467	4.6
81.03397	5.9
81.07050	10.8
83.04960	2.6
84.08130	3.8
85.02892	16.0
85.06533	32.5
86.09686	3.5
87.00827	4.6
87.04439	1.0
89.46283	0.8
91.05464	10.4
93.07003	5.3
95.04939	1.6
95.08596	1.9
97.02895	4.5
97.06546	1.4
98.09671	0.8
99.04421	2.7
105.01830	2.6
105.03381	1.7
105.07012	12.0
107.08574	12.8
109.02869	6.7
109.06506	1.6
109.10137	19.3
112.11244	1.1
118.06541	1.3
119.08509	1.3
121.10091	0.8
123.07945	0.9
123.11658	2.8
125.09527	1.9
126.66054	0.9
127.03902	9.0
127.07521	1.1
129.10243	0.8
131.08536	1.9
133.10109	36.2
134.04576	0.9
134.10451	1.2
137.05936	1.2
143.10614	0.8
145.04968	2.6
151.11166	35.4
159.02896	1.4
167.07033	1.0
169.12225	30.3
187.13272	100.0
188.13626	2.5
203.03401	1.8
213.03934	1.1
230.15361	3.0
231.04909	1.3
250.20564	1.0
268.71597	0.9
291.06314	0.8
292.07123	1.2
295.15543	0.8
305.08057	3.3
311.05261	0.8
311.24026	1.8
333.07587	1.9
351.04944	1.6
363.08298	1.7
389.10403	1.2
417.09778	4.7
434.08578	1.4
434.21204	1.5
435.10641	3.2
452.10852	1.0
452.17731	0.9
452.26120	1.0
453.11844	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.3644
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	3.0
57.03437	2.0
57.07067	100.0
59.04989	14.4
63.70583	1.1
63.70938	0.9
67.05484	2.4
69.07047	2.2
70.30380	1.6
70.30797	3.8
71.08621	70.6
79.05450	1.6
81.07047	1.5
83.08601	2.0
85.10170	62.0
87.04456	1.9
89.06017	49.0
91.31667	1.3
93.07032	1.2
95.04928	1.1
95.08581	2.7
97.10152	1.5
98.20643	1.0
98.98437	4.5
99.11731	10.1
103.07580	5.1
105.07041	1.7
105.65828	1.1
107.07022	2.3
107.08607	1.6
113.13263	3.2
119.08562	1.4
123.72053	1.1
130.08568	2.1
133.08586	37.6
136.99945	3.1
145.10124	1.3
151.09653	1.8
155.00992	3.3
155.17924	4.1
167.06956	1.0
167.24596	1.0
171.11667	1.3
177.11243	3.6
180.07542	1.0
193.77374	1.2
203.07066	0.9
213.22087	1.4
239.14923	7.8
241.53650	1.1
291.73862	1.1
305.17612	1.2
315.28033	1.9
332.45123	1.1
353.63635	1.0
451.27283	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	451.2536
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88028	4.9
53.03935	5.7
54.34525	4.7
55.01864	10.2
55.05504	34.2
57.03413	17.8
57.07059	7.2
61.02902	7.3
65.03935	7.6
67.05495	45.8
69.03420	31.5
69.07057	34.0
70.06586	21.2
70.53816	4.8
71.04983	21.4
71.73599	9.1
72.08144	14.2
73.02924	4.7
79.05472	31.1
81.03411	26.4
81.07051	100.0
83.04955	9.7
83.08611	13.6
84.08146	10.2
85.02906	38.3
86.09699	7.9
87.00790	5.8
87.04445	6.1
91.05467	42.2
93.07037	56.0
95.04954	19.2
95.08599	79.6
97.02876	17.3
97.06538	17.6
97.10174	10.0
99.04478	7.1
100.94134	5.2
103.05453	9.7
104.10722	10.4
105.07023	47.0
107.04948	7.0
107.08585	46.0
109.02863	16.4
109.06509	21.0
109.10156	32.1
111.04410	7.4
111.08052	6.9
117.06984	12.5
119.08562	49.4
121.06493	9.7
121.10116	32.3
123.04402	5.9
123.08055	12.4
123.11714	17.3
125.09644	9.1
127.03935	16.7
129.07004	7.2
131.04929	5.1
131.08568	14.7
133.10139	35.7
135.08025	13.5
135.11697	18.4
137.02357	6.5
137.05962	57.9
137.09628	11.0
137.13245	8.7
143.08546	12.4
145.04922	9.8
145.09079	6.4
145.10083	28.5
147.08043	12.0
147.11670	21.6
149.09627	7.6
149.13226	11.0
151.07521	6.6
155.08553	6.8
157.10132	19.5
159.11681	28.5
161.09671	11.2
161.13194	41.1
163.11166	8.8
163.14824	5.7
165.06953	7.0
165.09198	8.4
167.07010	7.9
169.10100	8.8
171.11678	8.3
173.09587	7.5
173.13322	9.5
175.14835	11.0
177.09045	5.5
179.14371	23.9
181.10199	5.9
185.13248	9.5
187.14790	11.0
189.16312	8.1
197.15390	5.9
199.14835	6.2
201.12683	7.0
201.16360	7.3
209.26241	5.7
232.30894	5.5
243.17555	7.6
271.19067	27.2
273.20496	12.8
300.05847	11.4
300.09253	5.5
301.06039	26.0
331.07053	15.7
355.07111	6.7
385.08258	10.2
433.21948	6.5
433.30103	8.2
451.10815	7.7
451.22968	21.4
451.28909	31.5
452.23553	7.5
452.31677	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	451.2325
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	6.0
53.49712	2.3
55.01868	38.4
55.05507	37.5
57.03413	9.1
57.07043	5.9
58.77673	3.0
61.02938	3.2
65.03935	4.0
67.05498	70.9
69.01553	2.5
69.03417	10.4
69.07060	37.8
71.04977	10.4
71.08608	3.1
71.75267	4.6
71.79363	3.1
79.05481	55.1
81.03400	12.9
81.07046	100.0
83.04963	11.8
83.08611	23.5
85.02888	9.2
85.06523	7.0
91.04924	4.7
91.05470	68.6
93.07036	53.6
95.01320	11.9
95.04970	18.5
95.08600	40.9
97.02880	8.2
97.06525	12.4
97.10156	4.0
99.04446	5.2
99.08073	4.0
101.06859	2.9
103.05444	3.7
105.07021	65.0
107.04940	14.7
107.08582	33.1
109.02872	5.0
109.06508	22.0
109.10123	12.8
111.00740	5.1
111.04401	5.3
111.08058	16.8
113.02313	4.4
117.07008	15.7
119.04933	3.8
119.08556	49.8
121.06494	16.9
121.10137	29.5
123.04417	3.2
123.08036	12.7
123.11703	18.2
125.02344	4.8
125.09631	4.7
127.03913	4.7
127.07543	3.6
129.07001	14.9
131.08545	24.1
133.06476	8.6
133.10136	21.5
135.04413	6.2
135.08023	10.4
135.11668	9.2
137.05995	5.6
137.09628	7.1
139.03879	5.2
139.07510	18.4
141.01842	6.4
141.07016	3.3
142.07774	3.9
143.08553	8.1
145.06483	11.7
145.10130	19.5
147.04431	3.6
147.08047	10.6
147.11678	67.1
149.05974	9.3
149.09589	17.6
149.13223	6.7
151.07504	3.3
151.11162	5.8
154.07794	3.1
155.03404	3.4
155.08528	5.3
157.08595	22.9
157.10117	19.0
159.08044	8.7
159.11681	12.3
161.06018	5.5
161.09583	9.1
161.13245	5.8
163.07608	3.4
163.11143	10.1
165.12743	26.5
167.06917	4.7
167.08441	3.0
169.10123	4.9
171.07951	4.0
171.11656	6.7
173.09576	8.2
173.13240	5.0
175.07538	5.5
175.11186	19.6
177.05441	4.0
177.09125	13.9
177.12727	4.1
179.07010	4.0
179.10660	10.3
183.11649	3.7
185.06078	3.8
185.09581	3.7
187.07509	8.0
187.11163	4.6
189.05492	3.2
189.09056	4.6
189.12744	4.6
191.06989	6.2
193.12248	12.7
195.06558	6.4
195.08585	3.8
195.10152	22.3
195.11662	4.7
197.09644	3.2
199.11102	3.4
201.09180	5.1
201.12775	6.7
203.10596	3.3
205.08604	11.2
207.06560	13.7
207.13663	3.9
211.13089	3.5
213.16539	2.7
215.07001	3.0
217.08574	4.1
225.09102	2.9
227.10701	3.4
227.98837	2.8
229.08588	4.4
229.12260	3.8
229.14296	7.4
233.08023	5.3
235.89522	2.9
247.09669	4.6
249.07677	3.8
257.18967	8.2
259.16904	4.7
275.20050	60.4
277.21512	3.6
281.10092	4.0
281.18854	3.3
285.14917	3.2
293.21091	4.3
301.06033	5.8
303.12387	3.2
303.19482	17.7
313.17819	5.5
315.19531	4.5
321.20520	9.9
323.20547	2.8
339.21762	3.5
341.17334	7.7
341.21078	3.7
345.20557	5.1
351.19525	5.4
355.06790	3.4
369.20551	6.7
373.20068	4.1
379.18750	8.6
387.21564	12.8
397.20026	17.6
405.22638	15.2
415.21033	23.4
423.23636	7.3
433.22198	42.4
451.22858	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	451.232
Annotation	Leucophyllin C
Peak:m/z	Relative Intensity
52.50191	2.0
53.03941	6.1
55.01874	10.6
55.05506	23.6
57.03431	3.1
60.79065	2.0
65.03947	3.1
67.05500	33.1
69.03423	3.9
69.07059	11.5
70.05772	9.3
71.04978	6.0
71.40269	2.0
77.78454	1.9
79.05489	38.9
81.03390	4.1
81.07050	100.0
83.04960	7.7
83.08620	18.9
85.02880	3.3
91.05473	33.8
93.07040	23.8
95.01339	10.8
95.04972	14.6
95.08612	22.3
97.06535	8.2
97.10159	2.3
104.99422	2.1
105.07028	31.9
107.04949	14.2
107.08585	19.8
109.06514	43.1
109.10155	5.5
111.08064	6.4
113.02387	2.3
115.05492	2.6
117.07015	6.0
119.08565	26.3
121.06499	6.2
121.10124	14.7
123.04402	1.9
123.08091	5.6
123.11693	5.6
125.09634	3.7
129.07010	8.6
131.08575	15.9
133.10114	16.6
135.08017	5.7
135.11665	5.5
137.09592	3.3
141.01849	9.8
141.06996	2.6
143.08531	4.4
145.06395	2.3
145.10081	11.4
147.11687	27.5
149.05902	3.0
149.09616	14.0
149.13246	8.4
151.11226	3.5
155.08574	4.4
157.10115	6.5
159.11739	10.3
161.09752	2.6
161.13185	2.6
163.03992	1.8
163.11134	8.9
163.14841	3.1
165.03299	2.3
165.12740	12.6
169.10097	3.9
171.11682	3.8
173.09592	3.7
173.13229	5.0
175.01527	3.1
175.07637	2.8
175.11172	6.7
177.12735	2.5
183.11719	2.0
185.09726	3.2
193.12260	9.4
201.12883	2.8
205.08577	3.4
215.07045	2.0
229.19566	5.6
239.17868	2.9
247.20555	6.7
257.19043	8.1
275.20044	56.5
276.20093	2.2
307.11960	2.1
331.12952	3.4
341.17346	2.8
351.19659	3.0
355.19022	2.0
363.14432	7.4
367.18839	2.3
379.18924	4.2
397.20056	5.3
415.21152	6.5
433.15976	2.9
433.22006	16.9
451.17542	2.3
451.23035	11.0
454.73471	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2319
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	15.7
55.01865	45.7
55.05503	78.9
57.03420	8.4
65.03924	9.1
67.05147	5.3
67.05495	57.7
69.03400	9.1
69.07059	35.8
69.56416	42.2
70.81989	3.8
71.04962	7.9
79.05483	67.3
81.03396	10.3
81.07048	100.0
83.04988	20.4
83.08616	64.6
85.02902	10.6
91.05473	60.8
93.07025	48.3
95.01323	14.7
95.04945	23.6
95.08592	40.3
97.02880	7.2
97.06503	9.7
98.21467	8.5
105.07024	50.7
107.04924	25.7
107.08547	25.1
109.02902	5.5
109.06497	40.4
109.10141	17.4
111.08092	20.5
111.60067	4.3
114.54575	3.9
117.06977	21.1
119.08556	48.1
121.06499	18.1
121.10135	17.7
123.04437	12.8
123.08063	22.0
123.11681	4.9
125.02356	8.5
125.09660	5.0
127.03909	6.3
128.06200	8.4
129.06998	15.8
131.04852	5.7
131.08562	37.8
133.06503	8.1
133.10133	25.9
135.04395	8.8
135.08026	11.8
135.11665	7.1
137.05936	6.2
137.09615	10.4
141.01808	10.5
141.07021	8.8
141.40549	4.1
143.08546	14.4
145.06468	17.7
145.10132	28.3
147.04376	7.3
147.08008	10.1
147.11671	26.2
149.05984	6.6
149.09647	10.3
149.13232	7.5
151.03842	4.7
155.08588	8.0
157.10149	11.6
159.08028	10.9
159.11693	17.3
161.05966	9.4
161.09586	12.6
163.03882	11.4
163.11151	11.9
165.03072	4.6
165.05472	7.6
165.12773	6.8
166.07678	4.4
169.10089	10.5
171.08028	9.2
171.11705	7.7
173.05878	6.2
173.09610	6.8
175.01578	10.1
175.07419	5.3
175.11157	7.7
177.05450	6.1
177.12767	5.9
185.09561	10.3
187.07515	8.3
187.11198	9.9
187.14972	4.8
188.77194	4.1
189.09047	8.7
189.12730	5.7
197.09534	8.2
199.07544	5.5
199.11237	10.3
201.12706	6.2
203.10663	5.9
213.08975	6.8
215.10506	7.7
217.08638	7.7
217.12148	4.8
225.09206	9.5
225.12558	5.0
227.10617	5.0
231.10182	10.5
239.17949	6.5
241.12027	4.6
243.10257	10.6
247.20531	6.1
249.11069	6.2
257.19000	11.5
261.11310	11.5
261.14709	7.0
263.12686	7.0
269.11728	5.8
271.09601	8.7
275.12561	5.9
275.20026	48.3
277.14325	5.9
287.12659	23.1
287.20047	8.5
289.10742	29.5
289.13992	5.5
290.10965	5.0
303.12399	6.5
303.15967	5.1
303.19418	4.9
305.13791	14.8
307.11682	16.7
307.15219	7.4
313.17908	6.1
315.19550	9.2
325.12814	8.8
331.13034	5.3
333.16940	11.7
333.20657	8.1
345.20657	4.6
349.16400	16.0
359.18503	7.7
363.21609	8.0
367.17538	10.1
369.20575	6.1
371.22119	12.0
377.15753	30.0
389.23203	60.3
395.10019	10.5
395.16818	11.7
397.19925	6.5
403.97296	5.3
405.22421	23.5
415.21085	19.4
423.23853	26.9
433.22153	82.7
451.23166	43.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2322
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82522	2.3
55.01870	11.8
55.05504	25.0
57.03432	3.7
67.05500	20.1
69.03419	6.9
69.07052	8.2
70.49094	8.5
79.05484	22.5
81.03413	9.4
81.07057	19.9
83.04948	4.6
83.08626	14.5
85.02905	3.6
91.05469	22.0
93.07034	22.6
95.01327	12.9
95.04961	8.8
95.08599	15.5
97.02898	4.7
97.06514	3.7
105.03382	10.4
105.07028	17.8
107.04947	9.0
107.08578	7.4
109.06525	5.7
109.10136	11.0
111.08076	5.3
115.05447	4.3
117.07036	13.2
119.04907	4.1
119.08563	17.3
121.10153	7.6
121.56144	2.3
123.04419	6.5
123.08099	2.7
125.02341	6.3
125.09663	2.7
127.11179	8.1
128.06232	3.9
129.06985	8.9
131.04964	2.9
131.08553	13.1
133.06490	3.5
133.10126	7.2
135.08046	4.4
137.09532	5.9
141.06990	7.2
141.41721	2.6
143.04927	2.3
143.08548	8.2
145.06450	5.1
145.10153	12.1
147.04405	3.3
147.08043	8.5
147.11703	3.0
149.02287	2.6
149.06047	2.4
149.09637	3.8
151.03879	4.7
155.08585	5.4
157.06534	2.7
157.10063	5.3
159.08064	4.4
159.11732	6.5
161.05948	3.5
161.09627	3.2
163.03876	4.5
163.07576	3.2
167.03410	3.5
169.10101	7.4
171.07957	2.4
171.11641	3.0
173.06003	6.2
173.09642	5.7
175.07507	4.2
175.11223	3.0
177.01851	12.7
183.08046	3.0
187.07486	3.1
187.11110	11.2
189.05453	6.6
189.09091	4.9
191.03333	4.4
191.10632	5.0
197.09470	6.3
199.07346	2.9
199.11206	2.6
201.05461	6.6
201.09103	5.8
203.07030	9.2
203.10721	4.7
205.04878	3.1
205.08496	3.3
215.10698	17.3
217.08629	3.4
219.10268	3.6
225.09100	5.1
231.10081	2.9
233.08031	2.9
233.11732	7.4
239.18025	2.9
243.10147	36.2
245.11707	3.1
253.08542	3.2
259.09665	6.1
261.11212	20.3
263.09656	2.3
263.12827	2.9
267.12283	3.8
271.09650	7.4
275.19998	7.2
279.12418	3.2
283.11685	2.4
289.10715	18.0
307.11740	27.1
315.19653	2.8
325.12814	100.0
326.13211	3.2
328.69232	2.8
341.17325	3.0
363.14554	2.8
369.20691	3.1
397.20163	6.5
415.20993	8.8
430.17816	6.8
430.67786	3.7
433.22263	21.2
451.23422	13.4
476.25870	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2062
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03424	2.1
57.81715	1.0
61.02934	1.3
69.03414	2.2
69.94324	2.2
69.94745	5.1
70.06573	4.0
71.04993	1.0
72.08144	5.1
79.05476	2.3
84.04483	1.3
84.08141	1.7
85.02893	7.3
86.09658	1.2
91.05456	2.2
93.06993	1.2
94.06535	1.3
96.08132	1.6
97.02916	1.5
98.09663	0.9
98.20678	1.1
107.08501	0.9
108.08115	9.3
116.07085	1.4
116.98611	1.1
118.06536	3.5
119.07323	2.9
120.08092	32.2
122.06018	1.8
123.08014	1.0
124.07591	7.6
126.09169	1.8
127.03929	0.9
136.07565	51.1
137.02307	2.4
137.06029	1.7
137.08116	1.4
138.09129	3.8
147.06700	1.1
148.07539	9.2
162.09183	1.9
163.03908	1.2
164.07054	30.7
166.08658	2.7
171.09212	1.3
173.10823	1.3
183.10445	1.6
183.70822	1.0
184.07516	1.1
185.10709	1.3
186.11540	1.5
187.12335	4.8
196.09976	1.6
198.12770	2.0
199.08679	1.7
202.12418	0.9
208.86992	0.9
211.09900	1.5
213.10220	5.5
214.10883	6.8
214.98865	1.1
215.11858	6.1
215.15500	2.8
225.13837	4.7
226.12227	4.6
227.11830	2.0
228.12503	6.5
242.10545	1.8
243.14909	56.2
244.15356	1.4
253.13364	5.0
259.11050	1.5
261.16150	1.5
263.58383	1.2
271.14389	60.0
272.14795	1.9
287.05383	1.8
288.06003	1.6
289.06430	3.8
289.15451	100.0
290.15823	4.8
301.06042	2.2
312.56485	1.1
331.07013	1.8
373.58224	1.0
433.16403	1.2
438.10931	1.1
451.21497	43.8
452.21707	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	451.0479
Annotation	Unknow
Peak:m/z	Relative Intensity
69.74938	6.5
85.02877	2.1
91.78275	0.8
94.93016	1.6
95.06068	2.6
97.02920	0.9
98.20695	1.8
102.53454	0.9
110.07159	3.5
111.05499	1.5
116.07129	1.6
123.05508	1.4
131.27283	0.9
141.06601	2.3
151.47763	0.9
155.39922	1.2
164.95421	0.9
169.24222	0.9
175.11861	1.0
236.97678	2.0
252.95131	2.6
271.16467	3.7
274.93320	3.0
313.07999	0.9
391.02704	1.0
451.04843	100.0
451.12372	5.3
452.05145	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.0484
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96558	15.1
61.93319	1.5
66.63882	1.5
69.03419	3.1
70.06603	1.8
70.18824	5.8
70.19243	2.8
70.98090	3.3
73.02890	2.3
76.74442	1.5
81.03381	3.2
84.04476	3.9
84.96021	2.1
85.02908	9.6
86.09692	3.7
91.05444	2.1
95.06073	6.3
97.02878	7.0
98.20968	3.1
98.46919	1.5
98.97580	19.2
99.04453	2.4
110.07156	17.5
110.97545	2.3
112.99109	1.8
116.98605	7.2
119.01872	4.0
122.07113	4.4
123.05554	2.1
124.13832	1.5
125.07117	1.6
126.05508	5.3
126.96912	1.4
127.03875	1.7
127.05869	1.6
128.98590	3.8
131.01866	4.1
131.05521	3.1
133.03459	4.1
133.06070	2.0
134.99684	2.9
136.06177	4.4
143.01833	2.0
146.99565	4.3
147.04355	1.9
149.06589	3.9
155.01874	2.4
157.03473	1.7
158.99623	3.8
160.97571	1.9
161.02992	3.7
161.06596	3.5
165.00700	2.7
173.02927	3.4
173.06572	2.9
177.00684	4.4
185.06619	3.9
189.00728	2.7
190.98642	5.5
191.02228	1.8
202.98672	2.1
203.03946	2.5
203.07632	6.3
205.00136	2.3
209.06635	1.6
214.98502	2.1
215.07658	6.4
218.98097	2.3
219.01677	5.3
219.07307	1.5
221.05023	5.4
230.98010	3.0
232.99712	2.6
237.02820	13.3
244.10786	7.2
245.05031	4.9
248.99168	5.1
253.10979	2.3
255.03802	2.8
263.00562	1.6
267.00101	3.3
275.09616	2.1
281.01852	3.4
293.05371	2.1
295.06900	4.5
305.10776	28.6
306.10870	1.8
310.11679	2.2
321.10248	4.7
322.10547	2.8
323.11819	3.1
337.08029	3.0
349.00745	2.3
377.00272	1.8
406.15598	2.2
419.04691	1.6
428.07669	2.0
451.04742	100.0
451.18088	3.3
452.05554	1.8
471.79575	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.2846
Annotation	Delpheline
Peak:m/z	Relative Intensity
52.23923	0.9
55.05504	6.0
57.07056	1.3
65.03936	1.4
67.05492	32.6
69.03417	1.8
69.07051	5.3
70.27309	2.3
70.27728	3.7
79.05475	10.6
80.04986	2.5
81.03397	2.3
81.07045	35.9
83.04945	1.2
83.08603	3.0
85.02898	2.4
91.05476	10.2
93.07024	12.7
94.06538	3.5
95.04950	2.2
95.08589	26.0
97.02887	1.8
99.04449	1.4
105.07016	6.0
107.08569	9.2
108.08116	2.2
109.06443	1.4
109.10137	15.3
110.09681	1.1
117.06991	2.6
119.08543	5.5
120.08076	2.0
121.10133	8.5
122.09635	3.5
123.08116	1.3
123.11688	8.4
129.06964	1.3
131.08524	6.0
133.10127	4.4
134.09653	1.5
135.11722	6.9
135.12585	1.6
136.07536	1.2
136.11214	1.3
137.09639	1.5
137.13234	3.1
145.10100	3.9
147.11668	4.8
149.13252	3.8
151.11116	1.5
159.11664	4.1
161.13214	2.7
162.12715	1.6
163.11186	1.3
163.14824	2.0
164.10651	1.4
166.43863	1.1
173.13258	3.5
176.14320	1.6
177.16310	1.7
184.74998	1.1
187.14792	2.7
201.16405	1.4
243.18782	1.4
243.21013	7.1
261.22110	16.4
262.22415	1.5
266.51520	1.0
288.23260	1.6
306.23987	2.5
330.24377	1.2
414.26340	2.1
432.27344	4.9
450.28442	100.0
451.28580	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.2845
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24719	4.6
55.05502	10.4
67.05499	37.4
69.07044	6.5
69.99709	28.1
70.06586	12.7
71.08629	5.6
79.05479	10.9
81.07050	37.8
83.08614	8.0
88.07623	11.5
91.05470	11.8
93.07021	11.1
95.08610	32.9
98.20708	10.1
99.45615	4.6
102.09147	15.8
105.07007	5.9
107.08573	8.7
109.10143	26.8
117.47919	4.6
119.04925	20.9
121.10139	9.5
123.11665	11.6
133.10136	12.8
135.11673	7.8
138.59123	5.5
145.10103	5.2
147.04388	100.0
149.02348	63.1
149.03438	11.2
151.11156	9.3
165.05469	8.0
172.11365	4.7
193.04945	74.3
195.06914	4.5
215.18007	18.3
216.44910	5.0
233.18962	13.9
251.20032	36.8
256.26447	5.8
257.10959	5.3
284.29547	35.7
287.05035	5.1
300.05835	7.8
330.06787	8.1
371.17465	5.1
397.87671	5.9
450.32053	84.7
454.24576	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	450.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35761	0.4
53.03935	1.6
55.01866	1.5
57.03427	3.6
59.04969	0.4
61.00265	0.4
61.00602	0.4
61.02920	5.8
65.03934	1.6
69.03422	12.0
69.63161	3.7
70.06593	1.6
71.04987	1.3
73.02912	2.4
81.03413	4.9
82.00414	0.4
83.01315	1.0
84.04503	0.7
85.02896	66.1
86.09721	0.5
87.04472	1.0
91.03961	3.2
91.05470	100.0
92.05788	0.6
93.65410	0.4
97.02883	33.2
98.85284	0.4
99.04465	2.7
103.03931	0.8
105.07002	0.9
109.02857	4.8
115.03930	4.4
117.07002	1.9
127.03909	14.4
128.06175	0.5
129.06993	1.7
133.06474	1.1
140.40317	0.4
143.03471	0.6
143.08545	0.6
145.04945	22.9
146.05161	0.7
153.07004	0.7
157.06491	1.4
161.04453	2.5
161.05753	0.5
163.06015	11.8
171.08061	1.8
175.07587	0.5
199.07610	0.8
217.08609	3.1
235.09612	2.0
253.10835	2.3
289.09097	0.5
322.66577	0.5
325.11014	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81066	0.8
53.03936	2.0
53.12390	0.8
53.84741	1.0
54.97873	0.8
55.01868	1.6
56.05016	1.4
57.03424	6.4
60.04507	1.3
61.02928	9.7
69.03420	16.6
69.78859	1.4
69.79267	4.7
70.06586	16.9
71.04988	1.7
71.06895	1.2
72.08153	9.4
73.02892	5.0
74.06055	1.5
79.05488	1.0
81.03407	8.2
83.06116	1.2
84.04492	4.3
84.08138	10.6
85.02898	100.0
85.10398	0.8
86.09707	6.4
87.04461	3.1
91.03961	6.2
91.05470	83.5
93.07029	1.1
95.04964	0.9
97.02881	41.1
98.20634	1.6
99.04445	3.4
102.05510	1.4
103.03938	1.8
107.04922	1.3
109.02880	7.7
110.07166	6.9
114.05527	0.9
115.03928	3.5
116.07108	1.5
117.06956	1.2
120.08096	9.2
121.06490	1.1
121.10143	1.1
124.77819	1.0
127.03898	24.6
129.06990	1.1
129.10249	5.8
130.04927	0.8
135.04370	0.9
136.07547	3.4
137.05916	1.7
137.07925	1.0
145.04942	50.1
147.07724	1.1
151.37621	1.0
156.07648	5.6
161.04448	2.4
163.05983	15.4
167.06984	1.1
167.10654	1.8
170.94228	1.0
171.08092	1.3
172.10843	1.2
179.07059	1.0
180.08646	0.9
197.58124	0.9
217.08560	1.8
235.09662	1.6
253.10608	1.5
265.31039	0.8
288.05847	2.2
299.05475	1.3
300.05823	3.8
310.67126	0.9
325.11087	1.5
326.07333	2.3
329.06592	1.4
330.06863	3.7
354.06924	2.5
384.07938	1.4
388.33627	0.9
396.07843	1.4
403.11185	0.9
450.21237	1.3
466.93134	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	0.8
53.86002	0.3
54.62817	0.3
55.01852	0.7
55.05489	0.5
56.05021	0.3
57.03412	0.5
59.74018	0.2
60.04494	0.7
60.05634	0.3
61.02899	0.4
66.40759	0.3
68.27081	0.3
68.99782	0.4
69.03426	2.3
70.02927	1.2
70.03335	0.7
70.06583	5.1
71.04966	0.5
72.08154	1.9
73.02916	0.7
74.06063	1.0
78.04697	2.0
79.05480	0.8
81.03397	2.7
84.04492	2.2
84.08123	1.5
85.02891	5.1
86.09698	0.8
87.00805	1.9
95.04961	0.6
97.02866	2.2
99.04454	1.0
101.07120	0.5
102.05536	0.6
105.01856	1.7
105.07085	0.3
106.04173	0.8
106.06551	0.3
108.04490	1.4
109.02872	2.3
110.07142	0.8
120.08067	1.3
123.04411	5.0
124.05193	1.6
126.05501	0.5
127.03915	3.2
129.10226	1.6
133.06102	0.3
136.99326	0.3
137.05984	0.6
141.10164	0.7
145.04967	1.3
145.09793	0.4
148.98982	0.3
149.05974	0.5
151.03879	0.7
152.04602	1.5
155.06964	0.3
155.08105	0.5
157.46779	0.3
159.02878	1.2
167.07019	100.0
168.07341	2.0
173.09157	0.5
177.05467	0.3
183.07677	0.4
201.08687	0.4
230.06537	0.4
231.05090	0.4
248.07658	0.7
300.05875	0.6
314.18198	0.6
326.06793	0.3
330.06787	0.5
354.06857	0.3
427.68860	0.3
450.19690	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1366
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.3
54.06197	0.4
56.05018	0.3
62.88223	0.3
67.05497	0.3
68.05009	0.9
69.03424	0.4
70.06581	5.7
70.06958	0.4
70.78699	0.3
71.04969	0.3
71.74714	0.5
72.08153	1.5
73.02889	0.5
79.05470	0.7
81.03416	0.4
82.06548	0.3
84.04513	0.7
84.08114	1.6
85.02888	1.4
86.09695	1.3
86.86013	0.3
91.05463	0.5
95.04926	0.4
97.02878	0.6
98.97590	0.3
103.05460	0.4
107.04952	1.0
110.07181	0.7
112.07612	0.5
114.05521	1.6
116.04978	0.5
120.08079	1.8
121.02815	0.5
127.03896	0.6
129.10243	0.7
131.04945	0.4
135.04512	0.3
136.07573	0.3
137.02312	0.8
155.03169	0.7
165.01840	0.8
166.02113	0.4
183.02936	0.7
184.03258	0.5
185.04205	0.8
191.66518	0.3
206.08115	0.3
207.19734	0.3
229.06779	0.4
283.05862	0.4
287.05429	0.5
288.05853	0.9
296.06677	0.4
298.07968	0.6
299.05331	2.7
300.05850	8.3
301.06705	0.8
312.05865	1.2
317.08405	5.3
318.09363	3.4
325.06900	0.7
326.03949	0.5
326.07370	2.1
329.06598	1.3
330.06857	5.2
340.08978	1.4
344.09534	1.5
353.06430	0.5
354.06805	3.8
366.07016	0.9
378.06827	0.8
384.08121	1.9
385.07870	0.4
388.56171	0.3
396.07843	1.4
407.18698	0.5
414.08942	2.4
432.10165	1.1
450.13678	100.0
451.14008	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.3621
Annotation	Irisoquin E
Peak:m/z	Relative Intensity
55.05525	7.8
60.86735	5.7
67.05502	12.3
69.07057	10.5
69.46813	47.5
69.47231	19.7
71.08583	6.1
80.48229	6.3
81.07037	17.4
83.08585	7.1
91.05494	22.6
95.08601	17.8
95.30021	5.8
105.03385	10.2
109.10164	8.9
123.08035	6.4
137.02347	7.3
151.07529	100.0
152.07945	10.6
165.01906	11.0
167.03374	7.7
179.03355	34.3
183.02910	10.1
191.10663	11.9
197.04491	22.5
257.08029	44.3
283.05881	8.3
287.05505	31.0
299.05475	84.2
300.06024	13.7
311.05295	12.0
318.78174	6.7
325.06985	14.1
329.06491	58.7
339.08862	9.5
353.06546	33.7
365.06262	8.2
377.06570	11.2
383.07565	20.5
395.07712	17.8
413.08691	18.5
431.09680	14.8
449.10736	9.2
450.32397	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	449.2896
Annotation	Xenortide B
Peak:m/z	Relative Intensity
53.00303	0.9
55.01854	1.1
55.05505	1.6
57.07066	1.5
59.04991	2.0
63.97992	0.9
67.05499	2.9
69.07063	17.2
71.46929	1.3
79.05480	3.0
81.03407	1.7
81.07049	8.0
83.01331	3.7
87.45740	0.9
89.06005	2.3
91.05485	3.2
93.07037	9.6
94.65536	1.1
95.08580	3.7
98.98454	1.5
103.26875	1.0
105.07004	2.3
107.08588	10.0
109.06510	1.8
109.10140	4.1
117.06998	1.0
119.08581	2.1
120.66161	0.9
121.06480	3.3
123.10876	1.9
123.11702	22.4
127.03890	1.5
131.08548	1.4
133.10118	1.3
135.08028	4.4
135.10773	1.3
135.11716	14.5
137.02325	1.6
137.05959	4.0
141.24675	1.0
149.05956	1.4
149.09630	3.7
153.05460	6.0
155.00911	1.2
159.08044	5.8
162.06691	5.3
163.03911	1.3
163.07521	7.3
165.05470	72.3
166.05823	1.6
177.09085	13.9
187.07544	3.9
191.07004	1.8
193.08548	1.5
203.06941	2.2
205.08591	65.8
206.08975	2.9
211.09618	3.3
219.10242	1.3
221.08278	1.2
221.11720	31.2
222.12019	1.5
223.09636	100.0
224.09981	2.8
229.08618	1.1
231.10304	1.4
247.13274	3.7
275.16367	1.5
279.15836	2.7
287.05453	7.6
287.16403	40.0
288.16516	1.7
291.15909	7.6
299.05508	15.8
300.05936	2.7
305.17435	7.1
311.05554	1.9
325.07016	4.0
327.19498	1.8
329.06619	9.1
337.27524	1.1
339.08737	2.6
343.18976	2.1
343.22635	7.7
345.20584	40.5
345.24811	2.0
346.20737	2.5
353.06467	4.9
357.20474	5.4
363.21683	2.1
365.06577	1.8
367.08554	1.1
377.06622	1.4
383.07477	3.0
393.74615	1.1
395.07584	3.2
413.08636	3.1
413.26685	1.7
431.09265	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2894
Annotation	Xenortide B
Peak:m/z	Relative Intensity
50.45429	0.6
51.48705	0.6
55.01851	1.0
55.05495	2.9
57.03168	0.7
57.03431	10.6
57.06846	0.8
57.07071	8.9
67.05502	5.1
69.07066	17.3
70.03902	4.1
71.04968	0.9
71.08624	6.8
79.05483	2.4
81.07043	7.6
82.30142	0.6
83.01337	3.2
83.08637	3.4
85.10176	3.3
91.05460	2.7
93.07040	5.2
95.04980	0.7
95.08595	5.6
97.10144	1.4
98.98454	17.2
105.07033	1.6
107.08580	4.5
109.02906	1.0
109.06527	1.8
109.10175	3.5
112.99989	2.5
119.08575	0.9
121.06502	2.8
121.10178	1.4
123.11697	17.6
127.03864	1.7
131.08563	2.2
135.08055	5.1
135.11658	7.1
136.99980	14.5
137.05960	3.5
149.05968	1.3
149.09633	3.9
150.89844	0.7
153.05467	4.8
155.01027	18.1
155.76421	0.8
159.08037	4.7
162.06726	4.5
163.07526	6.7
165.01784	1.8
165.05461	69.8
166.05797	2.1
177.05475	1.0
177.09103	13.6
179.07018	1.0
186.86322	0.9
187.07529	5.2
190.06189	1.2
191.06892	1.0
193.02582	3.1
203.07054	1.9
203.13921	0.7
205.08583	68.8
206.08878	1.7
211.03722	3.4
211.09605	1.8
219.10214	1.3
221.11714	40.1
222.12071	1.5
223.09630	100.0
224.09946	2.9
237.11308	0.9
239.23833	0.9
243.10042	0.7
283.06009	1.3
287.05493	4.0
287.16406	27.9
288.16727	1.4
291.15866	11.1
299.05502	11.7
300.06000	1.6
305.17426	9.7
311.05475	1.2
313.27310	12.8
324.18140	0.8
325.07123	2.1
327.19681	1.1
327.29498	0.7
329.06546	6.1
337.27298	3.1
339.08746	1.4
343.18951	1.3
343.22644	4.2
345.20584	29.7
346.20953	1.2
353.06549	2.9
357.20547	3.9
361.20102	1.1
363.21619	14.2
365.06790	1.3
375.21701	1.1
377.06464	1.1
383.07697	1.8
395.07578	2.8
413.08694	1.8
413.26660	2.5
431.28033	1.0
449.10583	0.9
449.26456	15.0
450.26736	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2896
Annotation	Xenortide B
Peak:m/z	Relative Intensity
55.05502	2.8
57.03421	2.1
57.07063	3.0
67.05494	4.1
69.03407	2.7
69.07060	27.4
70.16821	3.8
70.17237	1.4
71.04974	1.5
71.08618	1.5
79.05481	2.8
81.07066	4.7
83.01340	2.6
83.04966	1.8
83.08601	1.1
89.06033	1.7
91.05463	3.0
93.07034	10.1
93.35528	1.1
95.04958	1.2
95.08580	2.6
96.44208	0.9
98.98466	2.4
102.61806	0.8
105.07010	1.3
107.08583	6.5
109.06510	1.7
109.10135	3.8
113.05968	1.2
117.01010	1.3
119.08524	1.1
121.06446	1.8
121.10143	0.9
123.11684	1.8
125.67379	0.8
127.98959	0.9
135.08022	2.6
135.11659	8.9
136.99989	2.8
137.02356	1.5
137.05969	1.4
141.05449	1.4
145.10121	1.2
149.09610	2.0
151.07486	1.1
153.05476	8.0
155.01051	2.2
159.08003	1.2
162.06755	1.1
163.07579	3.0
165.01854	2.9
165.05470	17.5
173.09607	1.6
175.07549	2.4
176.08356	1.3
177.09059	5.7
179.07039	19.3
183.02794	1.4
187.07449	1.9
189.09067	1.1
191.05556	0.9
191.06949	5.4
191.10664	3.2
192.07788	3.2
193.08580	3.4
201.09111	2.1
201.58368	0.9
203.07016	6.9
205.08592	30.1
206.08997	1.1
209.11685	1.0
211.09596	2.3
215.10649	2.8
219.10124	13.0
221.11749	2.7
223.09630	19.1
231.10075	8.4
231.11775	0.8
233.11676	2.8
237.11206	13.9
237.28313	1.1
243.10199	13.3
245.11707	2.3
259.13229	3.1
261.11182	15.7
271.06332	1.0
271.13364	4.8
275.12723	0.9
275.16428	2.3
287.05539	8.7
287.16385	71.4
288.16766	3.0
289.14316	8.3
299.05472	16.4
300.06064	2.2
305.17453	9.4
311.05487	1.8
325.06961	2.9
327.19568	9.2
329.06613	10.3
329.38583	1.0
330.06961	1.1
339.08575	2.1
343.19049	2.0
343.22736	4.8
345.20575	100.0
346.20847	6.3
353.06488	5.2
357.20370	4.7
363.21539	4.8
365.06567	1.8
375.21582	1.5
377.06332	2.1
383.07523	2.9
395.07483	2.8
413.08542	3.6
413.26801	2.6
431.09726	1.6
431.28049	1.4
449.11008	1.3
449.25574	2.5
449.31494	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.266
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34793	2.1
52.25039	1.7
53.49258	1.9
55.05502	10.3
57.03165	3.7
57.03428	52.4
57.07071	43.3
65.03923	2.7
67.05497	27.5
69.07066	23.3
69.41373	14.0
69.41809	9.0
71.08624	28.3
75.87827	1.9
79.05476	8.1
81.03379	2.9
81.07044	30.3
83.08614	15.6
85.06555	2.3
85.10168	16.1
91.05470	4.6
93.07029	9.0
95.04930	2.3
95.08596	32.0
97.10150	6.1
98.98456	83.9
105.07017	3.1
107.08580	6.4
109.10146	17.6
113.00012	18.3
116.99503	2.9
119.08556	6.3
121.10123	4.9
123.11693	15.4
128.62218	2.1
133.10071	3.0
135.08035	4.4
135.11668	6.7
136.99971	78.9
137.02306	6.1
137.13290	2.1
147.11711	2.3
153.05452	3.3
155.01027	100.0
155.02304	4.8
159.08031	3.1
161.02328	2.4
162.06721	4.6
163.07541	5.1
165.01830	8.8
165.05472	51.3
169.02625	8.3
177.09125	10.2
183.02892	6.7
186.39966	2.3
187.03780	3.1
187.07504	2.6
193.02620	16.1
205.08571	49.5
211.03639	16.9
221.11702	29.3
223.09624	75.0
239.23698	3.2
263.23877	2.5
283.05945	6.2
287.05423	29.6
287.16330	16.3
288.05823	3.4
291.15866	7.0
297.07571	4.1
298.86844	2.2
299.05438	67.5
300.05963	10.7
305.17435	5.2
311.05563	6.8
311.08969	2.5
313.27325	65.2
325.06958	13.5
326.07224	2.6
329.06534	44.2
337.27377	16.4
339.08603	8.7
340.09198	2.7
345.20499	20.7
353.06485	26.2
357.20587	4.2
363.21582	6.5
365.06601	8.4
377.06357	5.6
383.07581	15.4
395.07553	10.2
413.08517	14.1
431.09698	5.8
449.10590	3.4
449.26581	71.3
450.26642	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	449.1074
Annotation	2'-Hydroxygenistein 4'-O-glucoside
Peak:m/z	Relative Intensity
54.67109	0.6
55.01866	1.0
55.88139	0.6
55.97710	0.5
57.03431	0.9
65.42916	0.5
67.01852	0.7
67.05499	0.7
68.99798	1.3
69.03409	0.9
69.62350	4.9
70.07366	0.5
72.08140	0.8
79.05473	0.7
81.03395	2.0
84.08112	0.8
85.02892	2.0
87.04475	0.8
95.04977	1.1
97.02904	1.4
109.02849	1.2
110.69559	0.7
111.04417	0.7
113.24077	0.6
120.71143	0.6
121.02822	1.4
131.04871	0.7
135.04382	3.9
137.02325	7.7
141.01782	1.8
149.02338	1.9
153.01813	3.3
161.02321	3.6
163.03836	3.3
165.01823	15.5
166.02415	0.6
167.03392	3.4
171.04712	0.7
177.01840	1.6
179.03439	0.8
181.04839	0.9
183.02863	7.2
187.03870	1.7
189.01865	0.7
191.03387	1.3
195.02924	2.1
203.03368	1.5
205.04974	1.9
207.02789	0.7
211.25967	0.6
227.11775	0.9
229.13188	0.6
241.04993	0.9
241.09662	1.3
243.02962	1.0
243.11234	0.8
245.04437	1.2
255.06532	1.1
255.11392	1.1
257.12772	0.8
258.05231	0.8
259.74170	0.7
271.06006	1.8
272.06775	0.6
283.05991	7.8
286.04745	2.7
287.05463	63.1
288.05820	1.7
295.05960	1.7
297.07593	7.5
299.05466	100.0
300.06165	10.5
301.06937	1.0
309.07516	0.8
311.05429	9.4
311.09088	2.5
313.03668	0.8
313.06906	2.9
315.04733	0.8
321.07516	3.3
323.05511	3.1
324.06189	2.1
325.03540	1.6
325.07016	20.2
327.04980	1.4
329.06525	68.7
330.06738	2.7
337.07086	3.2
339.04633	1.3
339.08582	15.3
340.09091	0.9
341.06470	0.8
349.06851	3.5
353.06531	35.3
354.06821	0.8
365.06479	12.4
366.06598	0.8
367.07932	2.4
377.06577	8.2
383.07544	18.3
395.07599	18.5
403.28113	0.6
408.64886	0.6
413.03262	1.3
413.08655	20.8
413.14096	1.4
414.08981	1.1
420.64157	0.7
431.09714	9.6
449.10419	10.9
449.15674	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	449.1073
Annotation	8-C-beta-D-Glucopyranosylkaempferol
Peak:m/z	Relative Intensity
50.45579	0.7
55.01843	1.2
57.03396	0.7
68.99756	1.3
70.06548	1.6
70.93608	1.9
72.08118	0.9
78.82240	0.6
79.01808	2.5
81.03378	1.1
85.02850	1.9
86.09660	1.3
95.04897	0.7
95.52608	0.6
96.18820	0.6
97.02859	0.7
109.02831	1.6
115.71110	0.7
121.02788	1.4
131.04906	0.7
135.04375	4.4
136.05066	0.7
136.57870	0.6
137.02321	14.9
137.03345	1.6
141.01768	1.8
149.02274	2.1
161.02315	3.0
163.03815	2.2
165.01813	11.8
167.03317	2.3
177.01726	1.2
179.03323	1.9
181.04874	0.8
183.02863	6.5
187.03833	1.4
189.01747	0.7
189.05388	0.8
191.03343	1.3
193.04922	0.7
195.02792	1.1
203.03337	1.7
205.04845	0.8
215.03273	1.2
217.04865	2.6
227.06955	1.1
229.04906	2.3
243.02844	1.1
243.06606	1.0
244.07195	1.0
245.04181	0.7
255.06560	1.2
258.05148	1.4
259.05988	2.7
261.03882	2.7
271.05975	4.6
272.06781	6.5
283.05960	4.5
286.04681	2.4
287.05441	6.4
295.05994	1.6
297.07532	4.7
299.05460	100.0
300.06198	28.9
300.09671	1.4
301.06812	2.5
309.07745	0.9
311.05484	16.6
311.09018	0.7
313.07022	14.6
321.07584	1.5
323.05441	2.0
324.06177	2.1
325.03296	1.6
325.06964	15.5
326.07254	0.9
327.04971	2.3
329.06512	94.9
330.06845	3.3
337.07019	1.5
339.04910	1.2
339.08560	19.2
340.09021	0.9
341.06674	3.2
343.08292	1.4
349.07007	2.4
353.06528	37.3
354.07016	1.8
359.07632	3.7
365.06451	6.8
367.08078	4.9
371.07687	1.0
377.06488	5.9
383.07571	24.0
384.07806	1.0
395.07550	20.6
413.08621	33.8
414.09000	1.4
431.09705	39.5
432.09879	1.7
449.10748	50.5
450.11179	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1071
Annotation	8-C-Galactosylluteolin
Peak:m/z	Relative Intensity
55.01862	1.0
57.03426	0.6
61.02913	0.9
68.31168	0.6
68.99795	1.3
69.43343	3.2
69.43771	3.6
81.03423	1.3
85.02895	1.0
93.03339	0.7
95.05000	0.8
97.02898	0.8
102.89156	0.6
109.02847	1.0
121.02827	1.8
135.04388	3.7
137.02332	6.6
141.01811	2.5
147.04308	0.7
149.02368	2.1
161.02295	2.5
163.03870	3.5
165.01814	13.1
167.03360	3.4
177.01811	1.5
177.05501	0.8
179.03424	1.1
181.05008	1.1
183.02873	5.3
187.03865	1.5
189.95338	0.7
191.03378	1.4
195.02890	1.5
203.03322	1.3
205.04961	1.0
233.04633	0.7
243.02950	1.2
245.04321	1.3
255.06450	1.2
258.05225	1.0
261.04028	1.0
271.05887	0.8
272.06821	1.4
283.06036	7.0
286.04736	4.1
287.05487	6.0
295.06036	1.4
297.07523	6.2
299.05475	100.0
300.06210	8.7
310.04520	0.9
311.05515	11.4
311.09106	2.2
313.06970	2.9
321.07428	2.4
323.05539	2.0
324.06271	1.8
325.03604	1.5
325.06998	21.8
329.06522	69.2
337.07065	2.5
339.04608	1.0
339.08640	15.4
349.06839	4.4
353.06534	37.7
365.06534	10.9
367.08011	2.1
377.06491	10.0
383.02890	1.5
383.07593	22.3
395.07593	18.2
413.08673	21.3
431.09711	10.4
449.10736	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	449.1074
Annotation	2'-Hydroxygenistein 4'-O-glucoside
Peak:m/z	Relative Intensity
55.01870	1.4
65.92746	0.9
68.99790	1.8
69.52966	0.7
69.53160	3.3
69.53587	4.9
69.75817	0.9
79.01847	3.0
81.03425	1.3
85.02899	4.0
98.20718	1.4
101.56473	0.9
109.02843	1.1
135.04378	4.8
137.02338	16.5
141.01772	1.3
153.01819	4.8
161.02327	3.2
165.01825	10.3
167.03424	2.1
177.01871	2.1
177.05461	1.6
179.03380	2.8
183.02879	3.6
192.04234	2.4
197.07167	2.1
209.07127	1.8
227.08121	4.2
229.04964	3.9
251.05486	1.4
251.07973	1.3
269.09259	3.8
271.05984	3.3
272.06876	4.5
283.06036	2.7
287.05475	100.0
287.10074	8.2
288.05865	1.7
292.93591	1.1
295.06021	2.1
297.07642	3.6
299.05475	89.1
300.06241	22.9
301.06827	1.9
311.05466	16.0
311.08783	1.6
312.06021	1.2
313.03488	1.3
313.06995	21.6
315.04889	1.7
321.07602	1.3
323.05511	4.4
324.06390	2.6
325.07004	8.2
327.05005	13.4
327.08621	2.1
328.05838	2.2
329.06509	45.6
330.06863	1.0
339.04858	4.2
339.08667	10.4
341.06567	4.2
345.06223	2.4
349.06973	2.5
353.06525	8.0
357.05920	5.2
359.03314	0.9
359.07642	4.0
365.06332	1.4
367.08096	9.6
369.06061	3.2
377.06665	2.3
383.07663	3.2
385.09198	7.8
387.06979	1.5
395.07611	19.3
413.08630	48.9
414.08951	1.7
431.09692	54.7
432.10138	3.0
449.10754	57.5
450.11270	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1077
Annotation	5,7,2',6'-Tetrahydroxyflavone 2'-O-glucoside
Peak:m/z	Relative Intensity
55.01863	1.3
56.94533	0.6
56.96549	0.7
57.03426	2.0
68.99777	1.4
69.03415	1.2
70.06588	5.3
71.04961	0.7
72.08135	1.8
79.05469	0.7
81.03422	1.5
81.07057	0.7
84.08129	2.3
84.38313	0.6
85.02886	2.2
86.09692	3.7
91.05474	1.5
91.24197	0.5
93.03407	0.6
95.04957	0.9
97.02852	0.7
107.04945	2.3
109.02873	1.0
110.07155	0.9
111.04398	0.7
115.08705	0.8
119.04878	0.6
120.08092	2.1
121.02870	1.1
127.03912	1.0
129.10254	1.0
133.02786	0.8
135.04404	3.9
137.02328	8.5
137.05954	1.8
141.01797	2.2
149.02325	1.1
150.41019	0.5
153.01817	1.1
156.07767	0.5
161.02344	2.7
161.06012	0.6
163.03860	3.2
163.46535	0.5
165.01830	17.5
167.03419	3.3
167.04695	0.6
173.27592	0.5
177.01868	1.4
177.05472	1.1
179.03377	4.6
181.04965	1.3
183.02885	12.1
187.03929	1.0
189.01817	1.3
191.03416	1.1
195.02881	1.8
199.07506	0.9
205.04973	1.4
209.04227	0.8
233.04462	0.8
245.04367	1.2
255.06401	0.7
263.05563	0.8
271.06195	1.0
283.06012	5.3
286.04800	1.4
287.05460	17.7
288.05679	0.8
295.05966	4.8
296.06497	0.7
297.04233	1.2
297.07489	8.1
299.05481	100.0
300.06079	8.7
301.06931	0.9
303.04919	0.9
310.04755	1.3
311.05527	16.2
311.09103	1.9
311.70126	0.6
313.03476	1.2
313.06985	12.3
314.07678	0.8
321.07504	2.1
323.05502	12.4
324.06277	2.5
325.03564	1.4
325.07013	22.8
326.07205	0.8
327.04926	6.0
327.08661	1.7
328.05649	0.9
329.06531	26.9
330.07022	1.2
337.06976	0.7
339.04892	5.9
339.08630	17.2
340.09109	0.9
341.06436	3.6
349.06989	5.8
351.04828	3.2
351.08658	1.0
353.06528	14.1
365.06516	1.2
367.08105	19.0
368.08206	0.7
369.05969	7.3
377.06543	3.8
383.07724	1.7
385.09140	4.1
395.07593	39.7
396.07953	1.7
413.08643	56.8
414.08734	1.7
431.09747	14.1
431.15500	1.2
432.09879	0.9
449.10809	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1076
Annotation	Luteolin-7-glucoside
Peak:m/z	Relative Intensity
50.85752	0.2
58.07388	0.2
60.05659	0.2
64.66213	0.2
67.01851	0.7
68.99791	0.6
69.10930	0.1
71.40062	0.3
79.05489	0.3
81.03379	0.2
85.02874	0.3
89.03879	0.2
91.05434	0.3
97.02859	0.3
107.04950	0.3
109.02882	0.2
117.03387	0.2
121.02866	0.2
127.03946	0.2
135.04399	2.2
137.02339	1.5
141.01851	0.2
149.02333	0.3
153.01810	5.6
155.95718	0.2
161.02342	0.9
161.80312	0.2
163.03873	0.3
165.01833	1.9
166.08899	0.2
167.03430	0.3
171.02902	0.6
177.01932	0.2
179.03380	0.5
183.02907	0.6
191.03343	0.2
195.02866	0.2
203.03352	0.4
204.49744	0.2
205.04950	0.2
213.05409	0.3
233.62773	0.2
241.04941	0.6
245.04442	0.3
252.71072	0.2
255.06503	0.2
258.05161	0.2
269.04382	0.5
283.05972	0.7
286.04605	0.3
287.05463	100.0
288.05789	3.3
297.07330	0.8
299.05463	9.4
300.06198	0.9
311.05551	1.1
311.08893	0.3
313.06842	0.3
315.04913	0.2
321.07587	0.3
323.05542	0.3
324.06232	0.4
325.06995	2.1
329.06540	6.5
329.79413	0.2
330.06580	0.3
337.07056	0.4
339.08688	1.5
349.06998	0.3
353.06549	3.2
365.06442	1.1
367.08090	0.5
377.06546	1.0
383.07608	2.0
395.07571	1.8
413.08585	2.0
431.09860	0.9
449.10498	0.8
449.16296	0.2
457.61807	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.3054
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07067	9.1
58.06587	1.7
60.39517	0.8
69.08125	0.7
70.06579	17.9
71.08613	3.4
71.14997	1.7
71.15342	0.7
71.47671	0.8
84.56686	0.7
85.10152	1.5
88.07617	22.2
91.05459	1.8
99.37923	0.8
102.09173	16.5
104.02608	1.8
115.53901	0.7
119.04908	2.1
132.02061	8.6
136.01538	7.2
147.04393	29.7
148.05157	1.7
149.02362	2.2
175.03891	52.7
176.04553	2.5
180.04164	10.7
181.04420	0.9
191.06990	3.5
193.05048	1.3
213.55948	0.8
219.06508	90.9
220.06915	2.9
256.26337	59.8
257.26810	1.7
287.05447	2.0
299.05630	1.3
311.69388	0.9
329.06805	1.3
353.06403	0.8
359.17255	2.2
371.34515	0.8
448.30554	100.0
449.30832	7.7
473.38382	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1073
Annotation	Kaempferol-3-Glucoside
Peak:m/z	Relative Intensity
52.97987	0.1
53.03936	0.3
55.01847	0.5
57.03420	0.1
58.48729	0.1
58.98505	0.1
60.09025	0.1
61.02898	0.2
65.03918	0.3
67.01839	0.5
68.99786	0.6
69.03420	1.2
70.06570	0.5
71.04987	0.2
71.39941	0.2
72.08128	0.2
73.02893	0.4
79.05477	0.2
81.03407	1.5
82.78290	0.1
84.08151	0.2
85.02895	2.5
86.09682	0.2
87.00825	0.7
89.03918	0.2
91.27448	0.1
91.59297	0.1
93.03374	0.2
93.06976	0.1
95.04953	0.2
97.02887	1.1
99.04416	0.4
103.04213	0.6
105.01863	0.6
107.04884	0.2
109.02863	1.4
111.04424	0.3
117.01791	0.2
117.03378	0.1
120.04449	0.2
120.08074	0.2
121.02832	0.4
123.04361	0.2
127.03892	1.9
127.18474	0.1
129.01794	0.3
131.03633	0.3
132.04419	0.5
133.05200	0.2
135.04395	2.1
137.02309	1.2
139.03917	0.2
141.01846	0.1
145.04932	0.6
147.04463	0.2
148.03926	0.8
149.04839	0.1
153.01807	5.3
159.02867	0.8
161.02307	0.7
164.67682	0.1
165.01836	0.3
167.03366	0.3
171.02925	0.6
171.04280	0.1
179.03340	0.4
183.02911	0.2
195.02979	0.3
201.05530	0.2
203.03380	0.2
213.05589	0.2
231.04988	0.4
241.04959	0.6
247.10266	0.1
259.05899	0.2
269.04300	0.6
283.06009	0.4
286.04639	0.3
287.05460	100.0
288.05792	3.6
297.07593	0.3
299.05450	4.2
300.06149	0.5
311.05530	0.6
311.08734	0.1
313.07104	0.2
321.07587	0.2
325.07089	0.9
329.06519	3.3
330.06824	0.2
337.06812	0.1
339.08676	0.4
353.06491	1.5
365.06467	0.4
367.08115	0.2
367.66162	0.2
377.06628	0.2
383.07617	0.7
385.10269	0.1
395.07446	0.9
403.08218	0.2
413.08679	1.1
431.09479	0.7
449.10858	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.2537
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	6.4
57.03407	6.8
66.64543	5.2
67.05471	15.1
69.03404	15.4
70.06577	38.6
71.40995	8.9
72.08149	11.7
79.05490	6.8
79.62431	4.8
81.07043	13.3
83.08589	6.9
84.08135	11.7
85.02898	12.1
86.09686	17.2
91.05463	13.9
93.07036	23.5
95.04912	11.5
95.08585	29.2
95.09109	5.8
97.22448	4.7
105.07005	23.4
107.08556	35.9
109.10149	23.2
110.07143	6.5
111.04404	5.8
111.08086	5.5
113.06001	12.1
119.08547	13.1
120.08099	13.3
121.06459	5.5
121.10101	16.8
125.09627	15.8
129.10207	5.1
131.08540	16.4
133.10109	73.2
135.08018	12.5
137.05948	16.2
139.07538	15.7
145.10103	23.1
147.11644	9.6
153.09103	25.2
159.07977	14.4
165.01822	7.7
173.09590	17.7
173.13162	12.5
177.09077	8.3
181.08586	19.6
187.14799	32.9
191.10660	14.2
215.14278	44.1
233.15332	100.0
251.12766	7.0
251.16351	9.0
287.05505	16.6
299.05441	51.4
300.06396	9.6
311.05692	5.9
313.07230	8.6
314.07373	7.3
315.04834	7.6
325.06900	10.8
329.06482	25.8
339.08597	11.9
340.09161	8.8
344.08499	12.9
353.06595	12.3
368.08533	8.5
373.95071	5.5
395.07233	9.1
412.10934	23.6
413.08597	19.0
431.09436	15.0
448.14874	13.3
449.10614	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	448.3052
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03906	0.4
55.01837	0.5
55.05499	1.2
56.20697	0.2
57.03398	0.4
65.23003	0.2
67.05505	1.4
69.03376	0.3
69.07062	1.0
70.06577	1.2
71.04956	0.3
71.74596	0.4
72.08117	0.4
79.05488	1.5
81.03367	0.9
81.07048	2.4
82.07346	0.2
83.04948	0.3
83.08584	0.5
84.08118	0.2
85.02865	0.6
86.09676	0.4
87.04440	0.3
89.05993	0.3
91.03903	0.2
91.05439	1.0
93.06993	0.9
95.04930	0.7
95.08582	1.4
97.06487	0.4
97.10130	0.3
98.06004	0.6
105.07024	0.9
106.06529	0.2
107.04892	0.3
107.07298	0.5
107.08562	0.8
109.02825	0.4
109.06448	0.4
109.10114	0.6
111.04430	0.3
112.14256	0.2
115.05447	0.2
117.05713	0.4
117.06977	0.3
118.06525	2.9
119.04934	0.3
119.08546	0.5
120.08060	0.4
121.02839	0.5
121.06477	0.4
121.10072	0.6
123.11699	0.4
125.09587	0.3
129.06938	0.6
130.06499	1.1
131.04941	0.2
131.07262	1.1
131.08440	0.5
132.08073	1.9
133.06506	0.2
133.08759	0.3
133.10107	0.6
135.04358	0.6
135.11609	0.2
137.02339	1.5
137.05927	0.7
137.08206	0.3
141.01779	0.4
143.08560	0.2
144.08028	0.9
145.10100	0.2
146.09619	3.2
147.04344	0.2
147.11638	0.4
148.07291	0.2
149.02306	0.7
149.09541	0.5
151.09872	0.5
158.09622	0.4
160.07523	0.6
160.11198	0.7
161.02367	0.2
161.05891	0.2
162.09116	5.8
163.03879	0.5
165.01826	1.6
167.03326	0.5
171.11639	0.2
172.11136	0.4
173.13197	0.2
174.09081	0.8
175.03802	0.2
175.11211	0.2
176.10692	5.0
177.11343	0.8
179.03378	0.3
181.04898	0.4
183.02844	1.1
183.11684	0.2
185.05927	0.3
185.13174	0.2
187.03795	0.2
188.14229	0.5
189.05345	0.5
190.12247	8.6
191.12590	0.4
193.04877	0.2
195.02727	0.2
201.12680	0.2
202.15938	0.3
204.13802	1.9
213.05403	0.5
218.15366	0.5
223.90356	0.2
228.17424	0.6
231.06474	0.4
232.16896	0.7
233.04327	0.2
241.04907	0.3
244.16954	0.2
246.18460	0.6
256.16916	0.8
258.04669	0.2
258.18585	0.4
260.20123	0.5
261.04034	0.2
269.04437	0.2
271.05829	0.2
272.19901	0.3
275.52908	0.2
283.05930	0.9
286.04620	0.4
287.05469	28.0
288.18118	0.8
295.05875	0.3
297.04324	0.3
297.07440	1.3
299.05469	13.9
300.06161	1.3
304.19232	0.6
309.07614	0.2
311.05594	1.3
311.08759	0.3
313.06970	0.5
318.20639	0.7
320.21805	0.2
321.07620	0.3
323.05588	0.4
324.06339	0.4
324.26675	0.5
325.07059	2.9
329.06543	8.4
337.06854	0.4
339.08621	2.2
340.26288	1.9
349.07028	0.5
353.06555	4.2
365.06537	1.2
367.08017	0.4
368.25845	4.0
377.06396	1.0
383.07599	2.7
386.26862	3.0
387.26901	0.3
395.07584	2.2
404.27832	0.5
413.08737	2.0
430.29800	0.8
431.09695	1.4
443.98151	0.3
444.04813	0.2
448.30548	100.0
449.10413	0.9
449.30960	6.8
460.36600	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.217
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.9
55.01867	0.8
55.05502	1.8
57.03431	9.1
57.65449	0.6
61.02910	1.5
68.99796	0.8
69.03426	4.4
69.49754	2.2
69.50182	4.3
70.06580	1.4
71.04985	68.2
73.02909	2.2
75.04469	6.0
79.05449	0.8
81.03407	0.9
83.04968	8.2
85.02897	100.0
86.06038	0.8
86.09695	1.1
87.04458	2.1
94.25975	0.7
97.02858	3.4
98.20726	1.1
99.04461	2.7
103.03950	1.4
105.07016	1.9
109.02848	2.3
110.06040	0.9
111.04432	4.4
119.04916	1.2
121.02857	5.1
122.93784	0.6
126.22314	0.6
127.03905	5.5
129.05464	39.7
135.04385	0.9
137.02359	2.2
145.04942	6.2
146.08209	1.2
147.06512	21.9
150.29695	0.7
153.01834	1.4
161.75789	0.8
163.06013	1.7
164.09193	5.0
165.01874	3.0
165.07683	0.6
183.02858	0.9
191.03546	0.7
194.85570	0.7
195.02829	0.8
199.42738	0.7
203.03343	0.8
211.02278	1.1
237.07468	0.9
255.08522	1.4
268.79712	0.8
269.04254	0.7
271.06042	1.2
273.09686	0.7
283.05969	2.3
286.04807	1.4
287.05460	21.8
297.07565	1.9
299.05457	23.2
300.06277	1.7
309.11801	1.1
311.05460	2.1
313.06778	1.1
315.04871	1.4
323.05240	0.7
325.06976	5.0
329.06509	18.5
337.07336	1.2
339.08603	3.2
341.06729	0.9
345.06082	2.2
349.07458	0.8
353.06528	10.2
365.06601	2.9
369.06180	1.1
377.06738	2.5
383.07608	5.3
395.07620	6.2
413.08652	8.0
431.09637	2.0
449.09741	2.5
453.99768	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.194
Annotation	Unknow
Peak:m/z	Relative Intensity
54.28460	0.7
56.05021	3.0
60.04517	1.5
60.05626	2.4
69.03391	1.0
69.67413	2.5
69.67844	3.3
70.06591	6.4
72.08134	4.3
74.06055	0.9
79.05476	1.0
81.03414	1.9
83.06087	2.3
84.04478	2.2
84.08132	3.6
85.02883	3.5
86.06056	0.8
86.09682	3.3
91.05447	2.2
95.04955	1.1
96.34793	0.7
97.02888	1.2
99.04381	0.9
102.05553	1.3
105.03350	3.5
106.06538	21.2
110.07150	1.6
111.05553	5.7
113.07089	1.6
118.06522	7.4
120.04450	14.0
120.08103	1.2
123.05550	1.3
126.06612	10.5
127.07377	0.7
129.10210	2.5
130.04953	1.0
130.06516	2.6
132.04434	22.8
132.08051	1.3
134.05988	9.8
136.07574	0.7
137.04671	2.4
140.08102	1.4
145.03951	0.8
146.02365	1.5
146.05930	1.3
147.29988	0.7
148.07549	2.0
149.02312	1.1
151.06110	9.5
155.08241	0.7
158.06003	1.0
158.38449	0.7
160.07579	0.8
165.00371	0.7
165.01811	1.2
168.08791	2.8
177.05367	0.8
185.07054	1.6
196.11188	0.7
202.09721	14.3
208.93584	0.7
216.11295	4.8
230.09248	12.3
231.12389	1.3
232.04039	0.8
232.10951	4.2
242.09285	3.7
250.10786	1.2
257.10345	4.8
259.11874	85.2
260.12122	2.3
268.11801	2.8
277.12860	2.6
284.11322	4.1
287.05356	2.3
299.05515	4.5
301.14059	9.7
302.12436	39.5
303.12619	1.5
319.15076	2.6
329.06580	2.4
353.06570	1.4
365.06668	0.8
406.17133	14.3
430.17892	1.1
448.19345	100.0
449.19803	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	447.3831
Annotation	13'-OH-alpha-tocopherol
Peak:m/z	Relative Intensity
55.05510	40.2
57.07076	76.0
69.07059	83.4
70.96984	8.8
70.97339	12.8
71.08636	50.3
81.07053	21.1
83.08610	59.2
84.83959	5.8
85.10173	26.6
93.07065	8.6
95.08596	7.3
97.10154	49.9
107.08578	12.7
111.11717	29.0
115.28510	5.9
125.13285	13.4
135.08040	14.8
137.09558	8.0
139.07536	25.5
149.09613	15.2
151.07555	23.1
153.09074	22.7
165.09100	100.0
169.08510	12.4
172.45068	5.8
177.09032	10.7
177.12709	7.3
181.08606	45.4
191.10640	15.2
205.12221	11.1
236.28114	6.2
398.76013	6.9
429.37567	30.2
447.38248	67.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.3255
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43480	0.6
53.03939	1.2
55.05509	7.4
57.07075	3.4
65.58260	0.6
67.05500	11.8
69.06690	1.1
69.07064	22.6
70.95066	2.2
71.08616	1.3
79.05488	3.8
80.04281	0.7
81.07051	32.8
82.88815	0.9
83.08620	8.6
90.66049	0.7
91.05463	2.5
93.07036	4.5
95.04942	1.4
95.08600	25.1
95.09203	1.6
97.10146	4.8
105.03394	12.7
105.07000	1.4
107.08593	4.0
109.10147	18.2
111.11710	2.7
119.08540	1.9
121.10114	3.2
123.11693	10.5
125.13297	1.7
129.06993	1.5
131.08571	5.0
133.02795	1.0
133.10144	1.0
135.11685	3.4
137.13234	9.2
141.07007	2.0
143.08643	1.5
145.06453	0.8
147.04401	1.8
149.13243	3.3
151.07486	1.1
151.14798	2.2
155.08514	1.3
157.06491	1.4
158.07272	1.7
159.08035	9.4
161.05977	1.1
161.13155	0.8
163.14873	1.7
165.09123	0.8
165.16351	0.9
169.06561	0.9
171.07999	6.6
171.14168	0.7
173.05968	0.9
177.09116	1.1
177.16483	0.7
179.08571	1.4
181.10139	1.1
185.09636	2.0
186.06758	3.8
187.07535	100.0
188.07912	1.0
189.16515	1.0
195.08052	1.1
197.09593	3.1
199.07521	3.2
201.09077	1.0
205.19415	0.9
207.11626	0.9
208.08792	1.2
209.09599	2.0
210.06784	0.8
211.07582	1.3
211.11153	2.4
213.09131	4.1
221.09554	2.0
223.11160	1.7
224.08388	0.8
225.09079	6.5
225.12741	3.3
227.10641	7.7
235.11110	1.4
237.12831	1.0
238.09930	1.6
239.10695	2.5
241.12236	2.6
253.12192	5.3
255.13853	0.7
261.25726	2.2
263.14252	1.0
267.13757	1.7
273.25754	0.9
297.18564	0.9
310.19199	1.1
317.14319	0.9
337.21616	0.9
378.25555	2.6
429.37350	1.7
429.82010	0.7
447.32538	10.0
447.38162	1.6
448.33249	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2737
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44338	2.2
53.03954	2.9
54.39354	2.0
55.01862	9.6
55.05505	29.1
57.03434	28.4
57.07064	10.4
67.05496	16.3
67.42107	2.0
69.03416	4.4
69.07059	82.2
70.07381	2.4
71.04979	3.8
71.08611	5.2
71.75735	2.8
79.05492	16.0
81.07053	22.8
83.01351	2.9
83.04967	3.0
83.08604	22.9
91.05446	11.2
93.07029	38.5
95.04939	3.5
95.08600	16.8
97.06516	6.6
97.10172	11.9
98.98468	35.8
105.07024	14.3
107.04945	3.6
107.08589	30.3
109.06503	2.5
109.10136	10.7
111.08044	2.3
111.11697	12.8
113.00016	4.0
117.06995	3.7
119.08575	8.0
121.06494	4.3
121.10137	31.1
121.95841	1.9
123.08048	3.2
123.11720	3.0
125.06007	3.0
131.08539	3.1
132.09407	2.1
133.10124	5.6
135.08034	3.8
135.11682	100.0
136.99977	35.4
137.05975	3.2
137.09613	2.2
137.33452	2.3
139.11174	9.9
143.55878	2.0
145.10088	9.6
147.11778	2.9
149.02348	4.1
149.13301	2.1
151.07574	2.1
153.05463	2.4
155.01012	35.6
157.10039	2.6
159.11586	2.5
161.09569	3.8
163.07516	2.1
163.11201	20.6
167.06927	3.4
169.05031	3.4
177.09096	2.7
179.06984	3.1
183.06541	3.9
191.07048	3.9
193.02679	4.9
197.08073	4.8
201.09143	2.5
205.08612	5.1
207.06531	4.3
209.08197	3.7
211.03722	5.9
217.12228	2.6
221.08130	2.6
223.09660	8.7
225.07524	6.1
227.09198	7.7
237.22147	5.9
263.16379	2.8
273.15009	5.2
289.21793	2.2
299.05673	3.1
311.25757	29.5
335.25732	4.3
343.18970	13.1
359.22238	4.2
361.20181	5.2
379.21021	5.9
444.86423	2.4
447.24948	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	447.2373
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59120	1.3
53.03944	2.6
55.01867	9.1
55.05503	14.3
56.96545	2.5
57.03413	2.8
57.07055	1.4
61.02914	1.5
63.20221	1.3
67.05499	14.5
69.03416	3.1
69.07071	8.1
71.04967	2.7
71.08624	1.7
71.75349	2.0
72.08166	2.6
79.05479	16.3
81.03428	6.1
81.07042	19.2
83.04959	4.3
83.08607	5.8
85.02879	1.8
91.05445	16.4
93.07032	13.8
95.04949	13.6
95.08592	10.1
97.02885	2.1
97.06535	4.0
97.10144	2.6
98.98458	5.9
99.04427	1.5
103.05455	2.9
105.03372	1.4
105.07026	16.4
107.04937	4.8
107.08593	7.4
109.06504	4.2
109.10142	4.8
111.08073	2.0
115.05463	3.6
116.07045	1.4
117.06977	9.5
119.04919	3.0
119.08564	8.1
119.53030	1.3
121.06503	5.1
121.10143	3.2
123.08067	2.7
125.09590	1.4
128.06221	3.3
129.06981	9.8
131.04955	2.5
131.08565	12.0
133.06487	4.3
133.10120	5.3
135.08052	3.1
135.09567	1.3
135.11685	2.8
141.06979	2.8
142.07793	2.6
143.08580	7.3
145.06477	8.2
145.10081	6.5
147.04370	3.2
147.07994	3.3
147.11649	4.0
148.05200	1.4
149.02336	5.6
149.09610	2.3
151.11101	2.2
153.05406	1.8
153.06989	2.1
153.09125	1.9
154.07788	2.0
155.01003	1.7
155.08539	5.1
156.09267	1.9
157.06499	3.8
157.10098	3.7
159.04398	1.8
159.08089	5.4
159.11703	4.8
161.05972	1.6
161.09602	2.1
163.03886	9.8
163.11169	2.3
164.80576	1.4
165.01834	1.6
165.12727	2.0
167.05484	1.4
167.08525	3.9
169.10089	4.1
170.07208	2.1
171.04388	1.5
171.08066	3.1
171.11697	3.7
173.02069	1.4
173.06000	3.7
173.09637	4.5
173.13229	2.3
175.03897	3.2
177.05446	1.6
177.12718	3.6
181.04967	3.5
181.10271	1.9
183.08032	4.1
183.11681	2.6
185.05992	1.8
185.09595	4.8
185.13252	2.3
185.43524	1.4
187.07581	2.9
187.11198	2.5
189.05428	2.7
192.04184	3.4
193.05003	1.9
193.10095	1.6
195.08138	2.2
197.09625	4.5
197.13203	1.7
199.07623	2.0
199.11107	3.1
201.05489	2.1
201.09152	2.2
203.03423	4.2
205.04967	2.0
206.05740	4.4
211.07568	1.6
211.11166	2.1
213.05661	1.9
213.09088	4.1
215.07098	1.6
215.10657	1.6
219.06427	2.8
223.11221	2.0
225.09120	1.3
227.10667	2.9
229.08578	1.9
231.06537	1.5
231.10182	1.5
235.05980	36.6
236.06409	1.5
239.10670	1.6
245.11623	1.7
252.24561	1.3
269.04501	2.0
275.20035	10.9
281.11771	2.6
283.13165	1.6
287.12518	1.6
293.21063	11.2
301.14499	1.5
323.20074	1.5
325.18057	1.6
327.19666	1.6
329.13733	5.7
349.23669	6.1
351.19385	5.2
355.22647	2.0
361.17761	1.9
363.14630	1.8
367.24704	4.0
369.20599	4.3
378.16724	3.6
379.18784	5.6
387.21750	2.8
397.20193	6.4
415.21075	4.4
429.20068	7.9
447.23715	100.0
448.24121	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2373
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	3.4
55.01866	12.9
55.05503	19.3
56.96554	4.2
57.00530	2.2
57.03416	5.7
57.07060	4.0
62.02787	2.1
65.03910	2.1
65.58976	2.2
67.05495	30.7
69.03423	4.7
69.07062	14.0
71.04974	4.0
71.08626	2.3
71.74837	5.4
72.08152	3.2
79.05486	24.4
81.03384	5.4
81.07051	29.1
83.04945	5.0
83.08611	6.4
85.02879	2.8
85.06519	2.4
91.05452	26.8
93.03365	2.5
93.07026	20.2
95.04968	15.1
95.08611	18.2
97.06525	6.5
97.10163	5.8
98.98447	9.0
103.05402	2.3
105.03387	2.7
105.07020	27.2
107.04949	10.7
107.08569	10.8
109.06503	7.6
109.10147	6.1
111.08076	2.0
115.05433	4.6
117.07030	16.4
119.08611	14.1
121.06508	6.6
121.10132	7.8
123.08062	4.8
125.09618	4.3
127.03912	2.7
128.06230	4.3
129.06987	9.1
131.04948	4.3
131.08508	18.1
133.06445	5.2
133.10123	11.2
135.08049	4.7
135.11682	3.6
136.41000	3.2
137.09636	2.5
141.01866	2.2
141.07030	5.4
142.07811	5.4
143.08516	8.2
145.06451	7.9
145.10095	10.6
147.08038	4.8
147.11667	4.6
149.02307	8.4
149.09605	5.5
155.01086	2.2
155.08511	5.6
157.06485	6.3
157.10123	9.6
159.04445	3.8
159.08025	7.6
159.11659	9.0
161.05994	2.9
163.03883	10.4
163.11201	3.3
165.05565	3.0
165.06978	2.9
165.12726	2.8
167.08533	4.2
169.06552	2.7
169.10094	4.9
171.08038	7.4
171.11676	7.3
172.54675	2.6
173.05959	6.8
173.09674	5.5
173.13222	3.4
175.11110	4.8
177.12697	5.5
182.07214	2.3
183.11720	3.4
185.09641	5.3
185.13199	5.2
187.11101	3.7
189.05499	2.6
192.04118	2.5
194.37300	2.8
195.58665	2.2
197.09583	4.3
199.07594	3.7
199.11206	3.1
201.09053	4.9
201.13037	3.3
203.03302	3.9
203.06960	3.1
206.05836	5.6
209.09773	2.8
213.09084	3.9
215.10683	3.9
217.05099	4.0
219.06526	2.8
227.10754	4.8
235.05998	43.9
254.95094	2.7
275.20071	14.2
281.11685	2.4
284.12787	15.0
284.62964	2.9
293.21069	17.1
295.22812	2.8
299.05640	3.8
329.13885	4.2
349.23718	8.1
351.19177	7.1
355.22604	3.8
361.02502	2.8
361.17599	3.2
367.24826	6.7
369.20474	3.6
373.24106	2.7
378.16782	4.0
379.18756	5.4
379.95261	2.7
397.20032	12.1
415.21823	4.2
429.20303	12.1
447.23660	100.0
448.23740	6.0
464.15494	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	447.2224
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	4.9
53.98094	1.6
55.01865	6.5
55.05498	16.0
57.03427	24.9
57.07042	1.9
59.05000	2.2
61.02611	3.3
61.02920	59.1
63.10277	1.6
67.05501	34.6
69.03428	37.6
69.07069	18.9
70.06584	4.1
70.42294	5.3
70.42715	3.9
71.01330	3.9
71.04999	9.1
73.02909	24.0
79.05483	19.8
81.03407	26.4
81.07048	99.7
82.07382	2.6
83.04962	9.8
83.08604	7.6
85.02892	58.3
85.06518	11.5
86.09696	2.9
87.04468	2.4
91.03950	33.5
91.05459	29.6
93.07032	20.6
95.04960	6.4
95.08599	25.7
97.02880	48.7
97.06512	8.8
97.10174	1.9
99.04443	11.8
99.08088	6.4
101.02380	15.1
101.06001	2.6
103.03913	9.7
105.07019	48.9
107.04926	1.9
107.08591	24.2
109.02869	17.2
109.06500	7.7
109.10143	5.4
111.04450	4.5
111.08107	3.3
115.03931	5.8
117.05508	1.9
119.08568	35.7
121.10126	28.2
123.08056	8.3
123.11696	30.1
125.05989	2.8
125.09587	2.0
127.03902	25.8
127.07533	2.3
129.05463	3.8
129.07010	2.6
131.08551	3.7
133.10129	7.1
135.08060	2.1
137.02390	3.3
137.05956	3.4
137.09595	3.4
137.13223	3.6
139.11154	2.1
143.08565	2.3
145.04947	7.0
145.10114	3.5
147.11673	100.0
148.12050	2.1
149.02342	2.8
149.09570	4.3
149.13310	1.9
151.03902	3.9
151.07518	10.3
157.10071	3.4
159.06580	3.1
159.11667	3.2
161.13255	2.0
163.14980	1.9
165.01794	3.0
165.09161	10.7
165.12749	61.9
166.12923	1.6
171.11617	2.2
175.11194	3.6
183.06531	7.7
183.13773	10.4
187.14920	1.7
193.12241	8.3
201.07556	5.1
211.13249	4.0
227.03528	2.2
229.14320	27.2
236.27045	1.8
267.15878	29.4
285.16943	64.2
286.17365	2.6
296.06732	5.1
298.04788	4.7
299.05396	3.6
300.06137	3.6
301.07153	4.0
309.16870	5.6
313.07013	17.0
313.16397	4.1
314.07605	2.7
315.04987	4.0
322.08255	2.0
324.06192	4.2
325.07010	4.9
327.04993	4.2
327.17996	3.9
328.05670	6.4
329.06470	2.1
339.08612	7.3
343.08099	30.0
350.07745	3.7
365.10312	3.9
367.08112	14.1
378.07361	5.4
393.09744	13.2
411.10806	32.4
411.19778	3.7
412.11334	3.5
429.07785	2.9
429.21027	7.2
447.22125	9.3
448.10278	1.9
457.80923	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2223
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68724	1.4
53.03944	5.5
55.01863	7.2
55.05508	17.7
56.96558	2.0
57.03433	23.4
59.04986	3.5
61.02921	65.2
65.03925	2.5
67.05501	32.6
69.03425	35.8
69.07062	18.3
70.06580	4.1
71.01354	3.4
71.04987	12.7
71.73455	2.3
71.73844	2.3
72.08147	4.1
73.02907	32.0
79.05490	22.3
81.03410	23.1
81.07047	98.7
82.06594	2.7
83.04954	9.2
83.08608	10.5
84.04492	1.7
85.02896	69.9
85.06532	5.8
87.04451	4.3
88.45061	1.6
91.03941	35.9
91.05465	34.3
92.05814	2.0
93.07048	21.8
95.04955	7.3
95.08577	22.9
97.02887	47.5
97.03477	3.8
97.06524	9.7
97.10159	4.4
99.04446	10.8
99.08093	7.9
100.11239	2.4
100.12440	1.8
101.02357	8.4
101.06010	2.0
103.03931	7.1
103.05406	1.6
105.07024	41.2
107.04974	3.0
107.08587	20.8
109.02856	17.6
109.06492	6.8
109.10132	5.7
111.04436	2.7
111.79908	1.6
113.06030	1.9
114.10288	5.4
115.03954	5.1
117.07015	4.4
119.01803	1.7
119.08564	34.0
119.41025	1.8
121.06480	3.3
121.10130	30.4
123.08073	5.4
123.11694	28.3
125.09621	4.0
127.03897	19.3
127.07536	3.2
129.05441	2.8
129.06967	2.2
131.00056	5.2
131.08546	4.8
132.09294	1.7
133.10126	7.7
135.08043	3.6
135.11671	2.4
137.02328	2.8
137.05966	3.7
137.09627	2.7
139.07492	1.6
139.11212	1.7
141.09105	2.4
143.00072	2.1
144.09193	1.8
145.04982	6.8
145.10129	4.1
146.45520	1.8
147.11671	100.0
148.12057	2.5
149.01190	3.1
149.02335	2.5
149.09627	2.0
151.07516	2.3
151.11272	2.0
157.10172	2.9
159.11713	2.2
160.11232	1.9
162.05508	3.1
165.09019	3.3
165.12747	56.1
174.99048	5.8
175.11180	4.2
183.06551	6.2
183.13776	13.9
185.01074	3.0
189.00569	6.9
193.12241	6.2
195.79033	1.7
201.07552	4.4
211.13159	3.2
211.15111	2.2
229.14305	24.7
230.60161	1.8
252.09441	3.2
267.15927	26.2
283.06082	4.2
285.06299	15.5
285.16946	62.3
286.17239	2.4
299.05450	6.8
299.13821	7.1
306.24155	2.6
309.17020	4.1
311.05627	2.4
313.07037	4.9
313.16443	4.3
325.17010	1.8
327.17752	1.9
328.05807	1.9
343.08115	3.2
351.30130	2.5
367.07886	2.7
379.07935	3.0
385.14270	1.9
411.10602	7.0
411.19974	5.6
429.16278	2.7
429.21530	5.8
447.09253	3.2
447.21921	9.5
448.27621	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2219
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	7.5
55.01862	5.0
55.05503	10.6
57.03432	19.9
58.47844	1.6
61.02910	4.0
65.03912	2.0
67.05499	38.4
69.03426	8.7
69.07065	18.2
70.06577	2.2
71.04979	6.1
75.07185	1.8
77.73212	1.9
79.05488	26.3
81.03407	54.5
81.07049	94.3
83.04964	10.2
83.08607	5.3
85.02885	10.6
85.06522	5.6
86.09672	3.5
87.04480	2.0
91.05462	37.7
93.07030	19.9
95.04957	6.8
95.08603	22.5
97.02882	2.7
97.06516	6.2
99.04443	6.3
99.08063	6.5
101.02349	2.0
104.13309	1.6
105.07019	48.0
107.08578	17.9
109.02866	56.1
109.06496	5.6
109.10146	2.6
111.04418	2.5
111.08098	1.9
119.08563	37.9
121.10137	22.5
123.08046	6.0
123.11697	23.5
127.03862	8.6
129.06984	2.6
130.06499	2.4
131.08546	3.0
133.10130	5.0
137.09605	2.1
137.13217	3.4
141.09081	2.7
145.04955	3.7
147.11671	100.0
149.02307	3.1
157.10106	3.9
162.89554	1.9
165.12735	58.1
168.17563	2.2
170.89594	1.8
175.11197	9.6
177.36053	2.0
183.06467	4.5
183.13794	12.0
193.12244	10.8
211.13263	7.3
229.14319	32.4
229.74673	2.1
241.93279	1.8
262.14670	2.2
267.15860	26.6
276.36792	1.9
285.17001	15.9
299.05411	3.2
313.07388	1.8
320.68933	2.0
325.03433	2.2
329.07062	2.0
337.16388	3.5
355.17419	20.1
373.18558	2.1
429.20978	6.8
447.22079	25.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1283
Annotation	Dihydrogranaticin
Peak:m/z	Relative Intensity
50.50019	0.6
54.03143	0.6
55.01837	0.9
61.02886	0.9
69.03423	16.3
74.96648	0.7
81.03345	0.7
81.07034	0.8
84.08079	0.6
94.07324	0.6
104.89014	0.7
105.06952	0.9
109.02800	0.9
113.46064	0.7
125.05949	0.9
135.04359	1.5
137.35890	0.7
141.01779	1.5
149.02261	1.1
149.05913	1.8
151.02660	0.7
151.03888	9.1
165.01836	6.0
167.03362	1.8
175.03839	2.3
177.01772	1.2
179.03290	0.7
183.02812	2.6
183.04335	0.9
191.03297	1.1
195.02806	2.4
201.05388	0.7
217.04895	2.0
229.54343	0.7
243.06561	1.6
245.04399	1.1
254.05751	1.2
259.06140	0.8
268.07370	1.3
269.07736	0.8
270.05176	2.6
271.05939	3.8
272.06815	0.7
282.05170	6.0
283.05740	0.7
284.06708	1.0
286.04691	1.7
287.00241	0.7
296.06741	9.7
297.07465	3.4
298.04672	13.0
298.07846	0.6
299.05496	1.8
300.06296	9.7
301.07056	5.4
308.06741	2.1
309.07520	1.2
310.04807	6.0
311.05850	0.7
311.09088	3.9
312.02771	1.0
312.06201	2.4
313.07031	52.7
314.07712	7.8
321.07578	0.9
322.08203	5.3
324.06262	10.1
325.07059	11.1
326.07672	2.3
327.04947	1.7
327.08582	6.1
328.05737	18.9
329.06046	0.8
332.06711	1.8
334.08398	0.9
336.06281	2.3
337.06970	1.1
337.10623	1.4
338.03973	0.7
339.04684	1.3
339.08621	14.3
341.10117	3.8
343.08090	87.6
344.08517	3.1
344.77448	0.8
349.10690	1.1
350.07819	12.8
350.11771	1.3
351.08557	6.0
352.05530	1.5
353.06418	1.7
360.06198	2.6
365.10211	11.8
367.08096	38.6
368.08548	2.3
369.09592	2.6
375.08676	1.5
378.07272	12.9
385.09137	1.5
393.09653	42.7
394.09912	1.3
411.10721	100.0
412.10916	4.0
420.64972	0.7
429.11884	11.3
447.12711	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	446.3745
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68419	0.5
52.99531	0.5
53.13971	0.5
55.05495	1.2
57.07065	0.9
67.05495	2.8
69.07047	1.7
69.68902	1.3
69.69324	3.5
71.08629	0.7
81.07037	1.5
83.04992	0.5
83.08598	1.9
83.16039	0.5
91.05460	0.7
93.07021	1.7
95.08607	1.3
97.10165	1.0
109.10145	4.1
119.08584	2.9
121.06487	8.9
122.07262	1.7
127.23027	0.6
135.08057	1.0
136.08846	12.3
137.09615	11.2
138.10033	0.7
149.09631	1.8
150.09961	0.6
151.07573	0.7
152.08324	1.2
159.11784	0.7
161.09506	0.8
163.11282	0.7
164.08327	31.8
165.09103	100.0
166.09450	9.2
177.09094	2.3
178.09805	0.8
189.09096	1.0
191.10786	0.8
203.10599	1.6
204.11024	0.6
205.12244	8.6
206.12558	0.7
219.14128	0.8
257.38019	0.6
403.19452	0.9
404.19400	0.8
416.15869	0.8
417.21024	0.6
419.22549	1.5
428.36484	72.5
429.36926	3.6
431.18607	1.8
446.20636	8.7
446.37531	40.4
447.21695	3.7
447.37778	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.2758
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03919	0.1
55.01852	0.3
55.05497	0.6
57.03420	0.1
65.03942	0.1
65.90247	0.1
67.05502	1.4
69.03410	0.1
69.07060	1.5
70.06575	0.1
70.70257	0.2
71.04948	0.2
73.02894	0.1
79.05485	1.4
81.03398	0.1
81.07044	3.4
82.07354	0.1
83.04968	0.2
83.08611	0.4
85.02868	0.2
85.06517	0.1
89.01625	0.1
89.05976	0.1
89.69038	0.1
91.05443	0.8
92.02472	0.1
93.07035	1.2
94.04041	0.8
94.99960	0.1
95.04942	0.4
95.08595	0.9
97.02892	0.1
97.06511	0.3
99.08134	0.1
105.07016	0.8
107.04919	0.2
107.08591	0.7
109.05119	0.2
109.06516	0.4
109.10162	0.5
111.08064	0.2
117.07038	0.2
119.03530	1.7
119.08585	0.5
121.06496	0.2
121.10120	0.3
122.26070	0.1
123.08075	0.3
123.11708	0.2
129.06998	0.2
131.08517	0.5
133.10126	0.4
135.05400	0.2
135.08003	0.1
135.11670	0.2
136.06169	100.0
137.04575	1.8
137.06642	0.8
137.09662	0.1
143.08536	0.1
145.10118	0.2
147.08055	0.1
147.11668	0.4
148.06155	0.1
149.02319	1.1
149.06975	0.3
149.09639	0.2
149.13225	0.3
157.10139	0.2
159.11731	0.2
162.07748	1.3
163.11198	0.2
165.09084	0.1
165.12837	0.1
173.13269	0.1
175.11266	0.2
176.09314	0.2
190.10895	0.2
193.04958	1.2
204.12526	0.2
218.14067	0.2
232.15622	0.2
237.07567	0.6
246.17079	0.2
262.03909	0.1
267.13571	0.1
275.20129	0.3
281.10175	0.1
293.21143	0.4
304.17551	0.1
341.06668	0.1
360.02728	0.1
385.09177	0.4
428.26523	1.4
429.11859	0.4
446.27594	33.8
447.27942	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.2018
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05035	2.0
60.20677	1.3
69.56425	6.5
69.56844	3.5
70.06580	5.9
72.08134	5.9
73.04745	4.3
74.06099	2.2
81.03384	1.6
84.04504	9.2
84.08138	12.2
85.02863	1.3
86.09712	10.5
91.05801	19.1
93.05446	1.2
93.07043	1.7
94.68526	1.3
102.05526	3.2
103.05444	7.5
107.04931	2.0
114.07372	1.3
120.08093	100.0
121.08421	1.4
129.10240	7.5
130.04987	4.3
131.04889	3.1
137.05949	1.3
147.07648	4.0
149.05974	2.3
159.07645	1.3
160.14447	1.3
166.08620	51.5
167.05591	6.3
167.08998	1.8
168.05559	2.6
183.88742	1.4
226.04364	1.6
282.11649	2.5
284.12115	1.5
291.59845	1.7
324.08463	1.4
333.37863	1.3
343.99728	1.7
359.02869	3.5
360.02896	11.2
414.34207	1.4
446.17963	3.1
446.26160	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	446.228
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	1.0
56.05033	0.8
58.06584	0.8
60.93467	0.6
62.73878	0.5
65.03938	0.5
67.04252	1.6
67.05488	1.9
69.03416	1.2
69.07058	18.7
69.55030	4.7
69.55437	0.7
70.06580	0.9
79.05461	0.9
81.03392	1.2
81.07043	1.6
82.06573	20.0
84.08121	4.7
85.02893	1.7
86.09697	100.0
87.10056	0.7
91.05437	1.1
93.07076	0.9
94.06568	1.3
95.04961	0.9
96.08115	3.2
97.02919	0.6
97.06507	0.8
100.07615	1.7
105.07040	0.7
107.04953	0.6
108.08130	0.9
110.06030	10.5
111.04428	0.6
117.07006	0.9
119.04939	0.8
119.08620	0.6
121.87558	0.6
122.06002	0.6
122.09604	0.8
123.04353	0.9
124.07588	2.1
125.07097	0.7
126.09164	0.6
127.03927	0.9
127.08674	5.0
129.07018	2.0
130.06519	0.6
131.04880	0.7
131.08603	0.6
133.10123	0.6
135.08058	0.5
136.07549	4.3
137.02289	0.6
139.08650	9.1
141.07042	0.6
142.07765	0.9
143.08589	0.9
150.12762	10.3
151.01741	0.5
155.08504	1.0
157.06482	4.2
157.10138	1.6
158.07231	0.8
159.08075	1.1
165.01801	0.7
165.05487	2.3
165.06831	0.6
169.09702	1.3
170.07362	0.7
171.08022	1.2
172.08810	16.7
173.09618	4.2
178.12248	6.0
182.08131	3.3
182.09506	0.6
183.08063	1.7
185.09631	5.6
187.07509	1.0
195.14906	32.5
200.10661	8.2
201.09055	0.7
202.12271	2.3
204.55675	0.6
211.07576	0.6
213.09033	0.7
219.14951	2.2
220.09599	0.6
223.14455	2.8
228.10272	1.1
229.08598	6.9
229.18018	0.6
231.10211	0.8
233.08250	0.5
237.15948	17.2
246.11230	48.6
247.11609	0.7
248.12918	1.4
256.09689	0.7
263.13962	0.6
265.15530	4.7
275.09100	1.4
292.11774	8.3
295.16418	1.0
299.05511	4.3
305.15030	0.9
313.03497	1.3
313.19235	1.1
323.05594	0.7
333.14392	18.0
333.18274	1.1
350.80484	0.7
359.19614	14.8
369.06158	2.3
387.19324	0.7
400.22263	1.2
401.21021	0.7
404.21805	4.7
405.20200	4.0
411.06995	1.1
418.23456	2.5
427.92657	0.6
428.20358	1.8
446.22818	31.3
447.23138	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.1655
Annotation	Unknow
Peak:m/z	Relative Intensity
55.57600	0.6
69.03504	0.5
69.48379	0.9
69.48784	4.5
70.06579	1.2
72.08146	0.6
72.13949	0.6
81.03400	0.6
85.02901	1.0
86.09678	1.5
88.14389	0.5
95.04953	0.9
98.22200	0.5
103.05456	42.2
104.05792	1.8
120.08105	1.1
127.03915	0.6
131.04916	100.0
132.05258	3.3
137.05995	0.7
137.86053	0.5
163.07529	32.4
164.07922	1.3
166.28560	0.6
327.00668	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.1653
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00552	0.3
50.01603	0.3
53.03944	0.5
55.01871	0.4
56.05029	0.6
57.03428	0.5
60.04520	0.9
61.01137	0.4
61.02915	0.5
62.40734	0.4
69.03416	2.3
69.03733	0.3
69.07072	0.9
70.06585	6.1
70.59093	0.3
71.04974	0.5
71.75620	0.4
72.08167	2.3
74.06052	0.5
81.03420	1.8
84.04511	1.1
84.08129	2.3
85.02895	4.6
86.09705	5.8
87.00816	1.8
87.05569	0.4
87.10069	0.4
91.05817	1.0
95.04954	0.4
97.02866	2.0
99.04453	0.5
103.05456	34.3
104.05822	0.4
105.01872	1.3
107.04950	0.4
108.04488	0.6
109.02866	1.4
110.07150	0.8
118.98695	0.4
120.08083	0.8
120.36388	0.3
127.03890	2.7
129.01857	0.4
129.10185	1.1
131.04913	100.0
132.05234	2.1
137.05962	0.4
141.10254	0.5
145.04919	1.5
155.11893	0.4
159.02850	1.1
159.09134	0.6
163.07526	53.3
164.07857	0.9
167.06970	0.8
173.12772	0.5
181.08678	0.4
196.09250	0.4
200.13899	1.6
201.12363	0.6
210.08682	0.6
228.13387	0.6
230.06430	0.4
248.07698	0.6
284.14819	0.6
348.27493	0.6
360.02661	0.6
374.08084	0.4
374.63940	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.3673
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	1.0
56.83603	0.2
57.07066	0.8
62.60656	0.2
67.05498	2.7
69.07066	2.6
69.64600	2.0
79.05505	0.4
81.07053	3.3
83.04990	0.5
83.08585	0.8
93.07035	0.6
95.04948	0.3
95.08602	2.7
97.10149	0.5
101.09247	0.3
105.03379	0.6
105.07014	0.4
107.08559	0.6
109.10157	4.4
111.11707	0.6
119.08570	2.4
121.10126	0.5
122.07267	1.2
123.08076	0.4
123.11691	1.0
135.11662	0.5
137.09604	8.8
137.13219	0.6
149.09601	1.3
149.13240	0.4
151.14795	0.3
153.05486	0.3
159.23526	0.3
162.28426	0.2
163.14819	0.3
165.09102	100.0
166.09465	1.4
177.09100	0.8
179.10564	0.6
205.12239	1.7
219.10231	0.6
237.11205	1.2
266.57370	0.2
287.16403	0.8
293.28510	0.3
343.22650	0.6
359.22531	0.3
371.29300	0.3
377.23141	0.5
427.35773	1.2
445.36615	0.6
447.68854	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.3671
Annotation	Unknow
Peak:m/z	Relative Intensity
54.68422	1.6
55.05513	8.0
57.07066	5.7
67.05491	4.0
69.07066	16.5
70.25195	3.1
70.25587	4.1
71.08614	3.3
74.78776	1.6
79.05489	2.0
81.07053	5.3
83.08613	10.0
93.07030	3.9
95.08609	4.4
97.10149	4.0
101.92846	1.5
104.59394	1.5
107.08598	2.1
109.10139	5.3
111.11698	2.6
119.08612	3.5
121.10101	1.8
123.11665	2.3
125.13305	1.5
135.08058	2.0
137.09593	9.3
137.54671	1.6
149.09637	7.2
153.75041	1.7
163.11197	4.7
165.09103	100.0
173.13374	2.0
175.11180	1.5
177.09091	6.0
189.09073	3.0
190.40578	1.5
191.10651	7.1
201.42833	1.6
203.10791	3.0
205.12167	8.1
231.13702	2.5
244.33199	2.0
277.73141	2.0
350.56055	1.7
427.35864	5.7
445.20111	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2944
Annotation	Foetidinol
Peak:m/z	Relative Intensity
53.32356	4.7
55.01868	5.6
55.05503	40.0
57.03416	8.9
57.07044	6.0
59.04989	14.0
67.05500	64.9
69.03410	13.0
69.07055	42.5
69.17856	4.6
70.06588	6.3
71.04981	22.8
72.08145	6.4
73.04750	8.9
79.05489	47.8
81.03418	13.7
81.07042	100.0
83.04973	18.2
83.08621	17.7
84.08143	6.3
85.02900	6.8
85.06549	13.7
86.09704	5.5
90.33975	4.9
91.05462	39.1
91.05889	15.2
93.07040	70.6
95.04948	17.9
95.08592	92.7
97.02888	11.3
97.06519	18.3
97.10159	16.2
98.20645	12.2
98.28934	5.1
99.04459	29.9
101.06001	17.7
105.07014	97.6
107.08584	81.9
109.02850	6.3
109.06488	19.6
109.10137	98.7
111.04475	6.4
111.08066	7.7
113.05957	5.2
115.73737	4.8
117.07014	19.8
119.08552	52.2
121.06511	11.5
121.10145	50.1
123.08060	14.0
123.11664	31.5
125.09634	11.3
127.03947	6.4
128.06261	9.4
129.07050	14.1
131.08540	52.1
133.10115	70.0
135.08054	11.6
135.11679	23.8
136.06137	10.7
137.05913	6.4
137.09607	21.0
139.11113	5.9
141.06990	11.1
142.07722	6.9
143.08562	33.4
144.09291	6.9
145.10094	58.6
147.07892	8.7
147.11665	56.9
149.09612	15.9
149.13237	20.8
151.07556	30.7
151.11153	19.5
155.08592	18.4
157.10115	57.3
159.11699	55.1
161.09641	16.5
161.13254	19.3
163.11166	10.8
165.09100	79.4
165.12764	7.2
167.05588	12.6
167.06944	9.0
169.10121	19.0
171.11662	37.9
173.09552	5.8
173.13228	28.4
175.11191	9.9
175.14813	10.5
177.09140	6.2
177.12741	7.5
179.10657	8.1
179.14265	7.5
181.10051	6.9
183.11691	24.7
185.13264	21.2
187.14833	14.2
189.09068	9.1
189.12738	12.9
191.10669	12.3
191.14218	6.2
193.05008	7.5
193.15570	4.8
195.11652	5.8
195.13823	12.3
197.13254	16.2
199.11012	6.7
199.14764	20.8
200.41618	6.1
201.12706	6.0
201.16336	11.3
203.14272	6.7
205.12263	9.9
207.13759	7.1
209.11566	8.8
209.13416	10.3
209.15414	12.8
211.14835	15.3
213.16397	33.7
215.14241	5.6
217.12170	15.9
217.15872	8.9
221.15410	7.3
223.14886	9.0
225.04198	7.3
225.16422	9.7
229.15907	10.2
231.13776	12.3
231.17342	10.3
235.16956	8.1
237.07391	7.2
239.17929	13.1
253.16034	5.7
257.15445	6.9
259.16864	21.9
271.16913	15.4
277.18042	14.3
285.18820	7.8
289.18106	12.6
303.19656	6.2
327.23206	5.7
335.23654	7.3
353.24637	11.8
359.02829	20.7
363.26907	17.0
371.25797	7.9
381.27896	50.7
383.29498	8.5
391.26300	18.2
399.28961	36.0
409.27237	26.6
427.28387	48.4
445.29532	71.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2945
Annotation	Foetidinol
Peak:m/z	Relative Intensity
67.29991	12.2
69.07088	17.0
71.22540	25.4
75.67380	13.9
86.01650	13.7
89.20500	11.9
106.72366	11.7
107.08595	17.7
118.52905	14.7
164.08931	12.7
165.05508	100.0
165.09036	25.5
219.10147	69.3
221.11685	40.2
237.11168	88.2
287.16248	41.6
316.99921	14.9
359.22037	26.1
445.20074	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	445.2944
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	2.3
57.07068	9.5
59.14959	2.2
69.07063	34.2
71.67279	4.7
79.05495	2.9
81.07043	6.5
83.01357	2.8
85.06553	2.8
91.05492	2.2
93.07037	8.9
95.08613	4.1
101.07313	2.3
107.08586	8.7
109.06512	2.7
109.10175	3.4
123.11703	20.9
135.08047	5.3
135.11690	14.2
137.05991	4.6
143.91295	2.4
153.05421	10.7
163.07542	3.1
165.05466	67.7
165.06819	4.5
173.37898	3.3
176.08318	2.4
177.05505	6.4
177.09033	11.3
179.07011	12.5
191.06956	4.0
191.10587	3.4
201.09035	2.7
201.17110	2.3
203.07169	3.0
204.07799	3.2
205.08617	4.7
205.12241	2.8
219.06912	2.6
219.10153	66.2
221.11710	46.5
223.75322	2.2
225.11240	5.3
226.39799	2.3
227.70499	2.4
230.96936	2.3
231.10152	5.1
233.11697	6.4
237.11208	100.0
238.11458	2.3
251.12787	7.8
257.11673	8.5
275.12781	9.2
275.16263	3.2
287.16373	86.6
303.15961	6.2
305.17471	7.2
341.21167	5.0
343.22626	7.3
357.20233	2.3
359.22141	77.0
369.88556	2.3
371.22150	5.8
427.28647	3.0
454.72134	2.3
456.91190	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2947
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62488	2.3
55.05522	3.3
57.03419	2.9
57.07067	7.8
58.19294	2.3
59.64573	2.4
62.03780	2.6
67.05488	5.4
69.07071	22.5
71.01486	8.0
79.05489	3.4
81.07046	6.2
83.01335	2.6
93.07022	10.0
93.52830	2.8
95.08615	4.7
105.07013	4.8
107.08562	17.8
108.96530	2.9
109.10159	3.8
121.10117	3.2
123.11719	8.6
124.08464	3.1
131.07632	2.5
131.08543	4.0
135.11696	20.5
137.05998	5.2
149.09598	3.0
149.56746	2.5
153.05408	6.3
163.07478	4.0
163.43762	3.1
165.05475	65.9
165.06812	4.8
165.09178	3.3
177.09099	14.3
191.10611	9.4
195.50650	2.6
201.09036	6.6
219.10165	72.2
221.11713	12.1
225.11191	5.1
237.11188	100.0
287.16415	60.5
287.19287	2.1
293.17633	5.0
305.17538	6.8
343.22787	3.8
357.20639	4.4
359.22144	41.6
371.21994	6.4
450.01904	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	445.2944
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03418	2.1
57.07064	7.0
69.07059	17.3
70.20014	1.8
71.67458	2.8
74.47121	1.3
74.92769	1.5
76.16380	1.4
81.07039	4.4
83.01356	1.8
91.05464	2.1
93.07018	4.3
104.67034	1.4
105.06966	1.7
107.08586	6.7
109.02872	2.0
109.06487	1.9
123.11699	26.4
130.07947	1.6
135.08063	4.1
135.11673	11.3
137.05957	4.3
145.10110	1.7
149.05907	1.6
153.05444	5.7
163.07495	3.5
163.11179	2.0
165.05461	69.4
173.09631	2.8
177.09120	7.5
191.10654	5.4
201.08971	1.9
219.10150	50.8
219.12157	2.9
221.11717	58.1
225.11115	2.9
237.11191	100.0
275.16321	2.3
287.16397	47.7
305.17468	10.6
331.58594	1.5
341.20941	2.0
343.22626	8.8
357.20746	1.9
359.22101	30.7
360.22290	1.7
371.22122	1.8
454.92691	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2945
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07056	1.8
59.52244	0.6
60.28560	0.4
67.05495	0.9
69.07066	13.9
70.05808	0.5
70.86316	0.6
70.86658	0.8
71.46802	0.5
72.83610	0.4
79.05466	1.5
79.50124	0.5
81.07049	2.5
83.01332	2.0
85.06531	1.1
91.05422	0.7
92.67379	0.5
93.07035	2.9
95.08583	1.2
97.99094	0.5
105.07030	0.8
107.08580	4.2
109.02847	0.8
109.06537	2.4
109.10155	1.4
111.16759	0.5
117.07005	0.6
117.13932	0.5
119.08635	0.6
121.06481	1.2
121.10140	1.0
123.11694	8.8
127.03909	1.0
135.08028	1.7
135.11696	6.9
137.05956	3.2
139.03857	0.8
145.10095	1.4
149.05943	0.6
149.09618	0.8
153.05458	2.9
155.08508	0.6
159.08128	0.5
163.07481	1.0
165.05469	51.8
166.05876	0.6
173.09567	1.6
177.05461	9.3
177.09117	6.8
179.07011	0.9
183.08034	0.5
191.10646	1.9
201.09062	2.0
203.06955	0.9
204.07814	3.5
211.84319	0.5
219.10158	34.4
220.10603	0.8
221.11719	38.8
222.12009	0.7
225.11179	2.2
235.09669	0.8
237.11198	100.0
238.11522	1.9
251.12862	0.6
265.85617	0.5
275.16141	0.7
287.16403	41.2
288.16718	1.2
303.15805	0.7
305.17465	10.3
343.22775	3.4
357.20578	1.2
359.22156	26.7
360.22525	1.2
371.22040	1.5
377.23367	2.4
427.28561	0.6
445.29074	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2944
Annotation	Foetidinol
Peak:m/z	Relative Intensity
57.07069	15.0
63.45362	3.8
67.05493	10.2
69.03409	4.7
69.07062	38.9
69.33934	3.9
69.62905	14.5
69.63328	20.2
70.71040	3.5
71.34740	4.2
81.07067	7.8
85.09867	4.1
93.07056	21.8
95.08587	7.7
99.11032	4.2
105.07027	4.0
107.08588	14.2
109.10197	4.8
121.06498	4.3
135.11710	14.5
141.05443	4.2
151.07469	7.0
153.05507	9.8
163.07506	6.5
165.05470	39.3
177.09087	9.8
179.07028	48.3
191.07025	5.9
191.10629	8.7
203.07039	6.9
204.07903	7.5
205.08618	12.7
219.10149	46.8
231.10168	15.4
233.11742	23.4
237.11195	30.5
251.12828	19.3
275.12833	8.0
275.96191	4.6
285.14752	11.4
287.13202	5.0
287.16385	100.0
288.68112	4.3
303.15833	8.3
341.20947	4.8
359.22141	88.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2944
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05523	2.3
57.07079	12.7
66.40773	1.8
67.05478	4.6
69.03429	2.0
69.07059	58.0
71.04981	3.6
71.67075	2.4
79.05478	4.6
81.03397	3.6
81.07053	10.3
83.01332	4.9
85.06532	4.7
91.05485	4.8
93.07034	7.9
95.08576	4.8
96.36021	1.8
105.07014	3.5
107.08585	5.0
109.06467	2.0
109.10152	7.1
111.11720	3.0
119.08572	3.0
121.10111	2.4
123.11703	8.0
126.70366	1.8
133.10129	2.4
135.08043	5.7
135.11693	9.5
137.05983	1.8
139.03954	2.1
145.10106	4.4
149.09567	2.8
153.05486	7.1
159.08076	2.2
163.07568	3.4
165.05449	39.0
167.07025	8.6
173.09654	2.9
175.07521	2.7
177.05441	5.2
177.09070	12.6
179.07077	2.2
189.05534	2.1
189.08952	2.0
191.06931	3.7
191.10709	5.3
201.09096	4.8
203.07034	9.2
203.10704	4.6
205.08572	5.6
217.08513	2.4
219.10146	67.1
219.12158	3.9
220.10445	2.4
221.11731	11.0
231.10164	4.9
237.11191	100.0
249.11189	5.3
257.11667	9.5
273.14795	6.6
275.12817	4.8
275.16315	4.2
287.16425	33.0
291.15790	9.8
305.17319	13.6
341.21088	6.2
343.22601	13.2
359.22110	46.4
360.22205	3.5
377.23190	23.2
445.24298	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	445.2429
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	5.3
55.01867	2.6
55.05502	10.6
55.58398	0.9
57.03428	13.9
57.07053	1.3
59.04990	2.8
61.02912	2.2
65.03918	1.7
65.07753	1.2
67.05495	46.9
69.03418	18.8
69.07066	6.1
70.06593	2.5
70.10403	1.9
70.10757	4.7
71.04982	100.0
73.02911	1.6
73.04736	1.8
76.38545	1.0
79.05481	19.3
81.03403	30.7
81.07044	68.6
83.04971	12.1
83.08607	6.0
84.08114	1.3
85.02887	10.1
85.06532	11.3
87.04442	1.9
89.06009	1.5
91.05445	37.2
93.06479	0.9
93.07033	19.8
95.04955	6.1
95.08592	12.1
95.26196	1.0
97.02881	31.9
97.06513	7.5
97.10118	2.4
99.04460	5.2
99.08054	1.3
101.02395	1.5
103.03932	2.6
105.07021	23.8
107.04928	3.1
107.08578	17.8
109.02877	7.9
109.06512	3.4
109.10130	14.9
111.04437	4.6
111.08090	2.8
113.05994	1.5
115.05434	1.1
117.07034	2.9
119.08564	4.8
121.06521	1.5
121.10139	5.6
123.08035	2.7
123.11687	16.2
125.05968	1.9
125.09612	1.9
127.03902	9.0
129.05418	3.4
131.04944	1.2
131.08571	6.4
133.10117	32.5
134.10448	1.8
135.08023	2.0
135.11659	6.8
137.05942	2.6
137.09605	1.6
143.08542	1.1
145.06499	1.5
145.10080	2.9
147.08070	1.4
147.11713	2.5
149.05995	1.1
149.09621	2.5
149.13245	8.4
151.07552	5.6
151.11160	22.7
153.05435	1.6
153.12753	1.5
157.10071	2.1
159.11655	7.8
161.09630	1.9
161.13289	1.6
163.11139	1.2
165.09070	5.8
167.05612	1.9
167.06996	2.0
169.12228	3.8
171.11662	2.0
173.04494	7.5
173.13254	1.9
175.07455	1.3
175.11156	1.2
177.12709	7.2
179.14272	2.1
183.06573	1.6
183.12355	1.4
183.13766	8.9
187.13272	28.4
187.14862	2.3
189.12662	1.6
191.10680	1.6
193.12248	2.3
195.13818	6.2
201.14824	18.4
201.16518	1.6
207.13789	1.2
213.12823	1.3
239.16324	3.1
241.18080	1.0
243.16025	5.0
254.17564	1.4
255.17798	3.2
257.17441	58.4
258.17810	2.6
269.17361	6.6
283.19025	1.6
285.17114	1.2
301.20288	7.6
313.06906	1.8
325.06982	1.8
339.18069	2.6
359.02850	1.9
369.18845	1.6
395.20789	1.7
413.21570	10.6
427.28659	1.9
445.17963	2.1
445.24323	41.1
445.29218	1.9
446.24576	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	445.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39114	2.6
53.03936	6.5
55.01865	18.3
55.05497	12.8
57.03437	13.2
61.02917	6.2
63.29568	2.4
65.03931	3.6
67.05499	41.6
69.03422	11.8
69.07067	15.3
70.06573	7.6
71.01346	3.4
71.04985	30.7
72.08144	5.1
73.02908	3.3
73.04744	7.4
79.05486	37.8
81.03409	58.2
81.07047	53.5
83.04997	12.0
83.06064	12.5
83.08622	6.4
84.08167	4.7
85.02911	12.2
85.06531	7.2
86.09693	16.6
86.18436	3.0
87.04439	3.9
91.05474	30.5
91.05887	5.4
93.07033	47.8
95.01326	11.1
95.04954	25.5
95.08591	28.5
97.02896	17.1
97.06527	10.3
98.20714	5.2
99.04427	4.0
99.08070	2.5
105.07017	31.3
107.04958	19.8
107.08592	19.7
109.02891	7.1
109.06505	11.8
109.10150	16.9
111.04414	4.1
111.08081	6.7
115.05479	2.9
117.07005	11.7
119.08577	22.0
121.02834	11.2
121.06485	21.3
121.10125	17.5
123.04417	4.3
123.08062	7.2
123.11689	6.8
125.02325	6.1
125.09609	5.0
126.65205	2.6
127.03887	3.9
129.05582	2.6
129.06651	11.3
131.04926	5.6
131.08557	18.3
133.06511	7.3
133.10106	22.8
135.04410	10.1
135.08055	12.3
135.11609	12.4
137.02211	2.7
137.05957	7.8
137.09578	12.9
139.03903	3.1
139.10892	2.2
141.01808	3.2
141.06990	5.6
143.08525	11.8
145.10091	10.6
147.04373	17.6
147.08040	8.7
147.11644	7.8
149.05948	5.2
149.09619	8.8
149.13257	11.1
151.03850	2.9
151.07570	5.1
151.11166	7.1
153.05377	4.3
155.08542	5.8
159.04385	3.0
159.07979	3.4
159.11694	15.8
161.05925	3.3
161.09599	6.1
161.13257	9.9
163.03903	10.5
163.07544	2.9
163.20558	2.5
165.09111	42.4
167.05540	6.6
167.06992	4.6
169.10153	4.7
171.11693	13.7
173.04459	6.0
173.05911	3.4
173.13141	4.8
175.11194	4.1
177.05400	3.6
177.12709	14.2
179.14346	4.8
183.11670	3.6
185.13115	3.0
187.05435	3.0
187.07431	3.3
187.13298	7.3
189.08998	3.2
189.12732	9.8
191.10661	3.1
195.13815	6.0
199.11089	3.8
201.12733	5.5
201.14645	3.7
207.13785	29.9
215.14282	5.3
219.13771	3.4
221.15335	3.8
233.05974	4.5
233.15326	4.6
245.15373	4.6
253.12206	3.5
257.17438	9.8
261.14813	31.8
271.13205	4.0
289.14297	50.9
291.15820	8.3
297.16934	3.2
299.12732	5.2
307.15344	51.8
317.13705	6.8
322.57391	2.5
325.16492	25.6
327.04791	3.7
335.14856	28.7
337.06888	3.2
351.01035	2.7
353.15848	11.4
359.02829	9.9
391.07901	2.8
399.20016	6.9
409.09357	2.8
409.18173	2.4
413.21579	3.2
427.19611	100.0
427.25296	5.3
428.19962	6.1
445.19589	30.0
445.25305	5.1
446.20465	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	445.1812
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	2.5
56.05007	2.0
57.03431	48.0
59.04986	1.7
60.04512	1.9
61.02919	21.1
68.00530	1.1
69.03422	43.1
69.07047	1.6
69.85344	1.1
70.04327	6.8
70.06580	10.0
71.01342	3.6
71.04974	2.4
72.08147	9.7
73.02910	100.0
73.04736	4.7
74.03218	1.3
74.06078	1.5
79.05480	2.7
81.03398	6.0
84.04490	4.7
84.08131	7.0
85.02898	86.5
86.09700	26.8
87.04449	5.2
91.03952	7.1
91.05812	18.2
94.39695	1.1
97.02882	68.2
99.04472	2.8
102.05530	1.8
103.05447	4.9
107.04997	6.1
109.02887	6.6
110.07172	3.0
114.05521	1.8
115.03922	64.2
116.04968	1.4
119.04913	1.3
120.08078	4.0
121.02872	1.6
121.06463	1.4
126.60839	1.3
126.67923	1.2
127.03023	2.2
127.03905	29.8
129.10248	3.0
130.06511	1.4
131.04910	17.1
132.10089	1.2
133.04970	18.8
134.06004	5.2
136.07574	1.6
137.05905	1.6
144.06511	1.5
145.04945	54.3
149.04494	1.4
150.07663	3.1
158.06015	4.6
161.05988	1.6
163.06007	15.5
163.07507	7.8
165.05396	1.4
167.05534	7.2
174.07961	1.3
176.07019	2.2
185.16508	2.3
193.04893	2.6
213.15916	2.7
215.13931	1.9
223.06012	6.3
225.04323	1.9
233.14966	1.9
241.07022	5.7
243.13339	2.4
259.08160	6.2
266.10196	34.1
267.10593	1.2
278.10312	1.3
294.05173	2.0
295.05780	1.5
295.10278	6.6
296.11115	2.5
296.31775	1.2
307.05954	3.6
308.06689	1.3
313.13882	2.3
325.07175	3.3
337.06946	4.6
338.08112	1.2
342.99759	1.5
359.02859	10.7
360.02771	1.3
379.08270	3.5
391.08279	2.2
409.09119	3.8
427.10077	2.6
428.15399	5.6
445.10205	1.8
445.20435	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.3
55.01865	3.3
56.05024	1.1
57.03433	46.5
59.04994	1.7
61.02611	1.3
61.02921	18.6
69.03426	41.4
70.06581	5.3
70.81309	0.9
70.81680	2.6
71.01344	4.9
71.04974	2.2
72.08139	3.9
73.02911	100.0
73.04744	1.1
76.01028	0.9
81.03407	5.7
84.04475	1.4
84.08129	2.1
85.02898	85.3
86.09703	11.6
86.46148	0.8
87.04459	5.4
88.04034	0.9
91.03939	5.2
91.05824	4.3
93.81420	0.9
97.02883	64.8
99.04427	3.8
103.03908	1.1
103.05444	2.7
106.06546	1.0
107.04962	5.7
109.02870	5.5
110.07204	1.0
114.05521	1.0
115.03922	56.2
116.04952	1.6
120.08080	1.9
121.02898	1.2
127.03915	26.5
129.10226	1.8
130.06487	1.0
131.04933	4.1
132.06546	1.2
132.20486	0.8
133.04947	16.3
134.06015	5.1
145.04958	44.9
150.07660	2.6
158.06036	6.6
163.06030	15.1
163.07376	1.8
167.05537	2.5
176.07143	1.4
179.95427	0.9
193.04997	2.0
199.06042	1.1
200.06987	1.4
215.13887	0.9
223.05978	6.2
241.07069	6.4
243.13463	1.3
245.78105	0.8
248.09093	2.1
259.08096	4.3
266.10211	35.8
267.10504	1.0
294.05127	1.6
295.06207	1.6
295.10233	4.5
296.11227	1.4
307.06085	1.5
325.07065	1.8
337.07059	3.7
342.99863	1.0
359.02820	3.1
379.08154	1.6
409.08997	2.2
427.10065	2.3
428.15552	4.9
445.20370	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1745
Annotation	Unknow
Peak:m/z	Relative Intensity
54.37811	0.3
55.01854	0.9
55.05504	1.0
56.05026	1.2
58.99571	0.5
60.03124	0.3
60.04498	0.4
61.01143	0.7
61.02919	0.5
67.05497	0.5
69.03418	0.7
69.07060	0.6
70.02928	0.5
70.06582	2.9
72.08149	10.8
73.04763	2.0
74.00655	0.9
76.02209	0.7
76.03992	1.4
79.05481	0.7
80.05016	0.6
81.03419	0.6
81.07044	0.7
82.06577	0.6
83.06126	0.4
84.03994	0.6
84.04496	9.1
84.08124	0.7
85.02885	1.4
85.03998	1.8
86.09696	8.4
86.99060	0.4
89.06025	0.7
91.05820	4.2
93.05776	0.8
93.07028	0.4
94.06544	1.9
95.06039	0.3
96.08069	0.4
97.01108	0.4
97.02885	0.9
99.02681	2.2
99.05571	0.4
102.05508	0.6
104.05302	1.1
106.06529	1.0
107.04961	0.5
108.08115	2.3
109.02845	0.4
109.08878	0.7
110.06011	0.9
110.07173	0.4
110.09639	0.9
111.02673	0.8
113.03529	0.6
113.04237	0.8
116.01659	1.0
116.07115	0.4
118.06537	1.3
119.07311	1.0
120.08097	0.8
121.02855	0.5
122.06023	6.6
124.02155	0.8
125.02946	0.6
125.04156	0.4
126.03706	1.2
127.02131	0.5
127.04554	0.7
130.05002	4.3
131.04523	0.9
132.06798	0.5
133.03171	0.5
135.02675	0.8
136.07556	1.4
137.04196	0.6
137.08350	36.8
138.09160	7.6
139.90643	0.3
140.10693	1.3
142.06871	1.2
145.04988	0.4
145.06084	1.1
149.03758	0.4
150.03709	0.4
152.05280	4.2
153.04048	0.9
153.06686	0.4
162.02177	1.2
167.05557	2.2
170.06337	100.0
171.06668	3.3
171.09033	0.5
171.14912	3.0
172.07892	1.5
177.03285	5.6
181.06105	0.6
185.03775	2.0
196.07893	9.2
199.14401	3.1
203.03395	0.5
206.06372	0.9
213.10532	3.2
213.15985	0.5
223.09087	2.0
224.07397	10.7
225.04315	0.6
231.04321	5.8
241.10036	6.0
247.12904	3.2
267.18161	0.4
274.10403	0.4
279.11630	2.3
283.11105	3.3
283.14017	0.6
288.06683	0.6
295.05923	0.9
298.12155	1.3
311.05533	0.9
312.05627	0.7
312.08783	0.7
313.06134	1.0
316.13220	7.5
317.13565	0.6
337.07144	0.5
339.07751	0.6
342.99829	0.8
349.07147	0.6
352.13235	1.0
359.02811	2.5
367.07309	0.6
370.14255	1.1
391.07706	0.5
409.08566	1.1
417.09445	0.5
427.09686	1.0
445.09384	2.3
445.16739	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	445.1102
Annotation	Unknow
Peak:m/z	Relative Intensity
53.60120	5.1
56.96553	13.2
69.06680	5.0
70.06582	14.4
71.71022	11.5
72.08138	15.1
74.01337	5.6
84.08135	11.2
84.94729	5.6
86.06011	6.6
99.02759	4.9
102.96858	6.6
105.34446	5.2
116.07066	9.4
150.98920	5.7
157.78493	5.6
170.57260	5.8
172.02888	8.6
190.03835	15.6
203.25661	5.8
208.04912	17.3
214.66710	5.3
233.66821	5.4
265.01910	7.2
270.02811	21.5
288.03973	13.8
444.97986	10.2
445.11026	100.0
445.18555	70.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.5
53.37990	0.3
55.05507	10.7
55.66833	0.3
56.05049	0.5
56.96574	0.3
57.03430	0.4
57.05812	1.0
58.36149	0.3
67.05510	0.5
67.07047	0.3
69.03423	1.0
69.07061	0.6
70.06590	3.0
71.04989	0.3
71.74359	0.6
72.08149	100.0
73.04768	0.6
73.08479	0.8
74.06071	0.3
79.05498	0.5
81.03405	0.6
84.04475	0.7
84.08143	1.1
85.02902	1.6
86.09704	1.3
91.05399	6.1
95.05013	0.4
97.02902	0.4
103.05472	0.8
105.07007	0.4
107.04967	0.4
108.08139	0.4
110.09734	0.4
111.09250	0.4
111.82343	0.3
111.90207	0.3
112.08766	0.3
112.11240	0.4
116.07100	1.1
118.06532	13.1
119.04943	1.1
119.07328	1.2
120.08093	6.1
122.06068	0.5
123.04433	1.3
129.10245	0.7
130.06525	0.4
136.07558	2.8
144.06532	0.4
145.05008	0.4
145.97311	0.3
146.06017	2.7
147.04446	1.1
148.07591	1.0
151.05800	0.3
157.09738	0.9
162.05554	0.3
164.07047	3.1
165.05479	1.9
167.05612	1.0
167.07048	0.4
174.05492	6.5
174.12889	0.4
182.08109	3.0
190.08672	0.3
192.06531	5.6
192.08064	0.5
219.14903	2.0
225.04164	0.4
231.57246	0.4
235.03474	0.4
260.12943	0.7
263.13882	27.4
264.14273	0.5
269.12863	0.4
282.09698	0.5
288.12366	1.3
295.06140	0.4
306.13287	2.4
311.05096	0.4
312.06036	0.5
315.13373	0.7
338.07397	0.5
338.19684	0.4
345.14508	0.6
359.02914	1.1
408.08170	0.5
426.09021	0.5
426.29675	0.6
444.09741	0.7
444.15564	0.6
444.21484	2.3
444.27328	0.3
444.30246	0.5
445.08954	0.5
445.14944	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.3105
Annotation	Yibeissine
Peak:m/z	Relative Intensity
55.05508	3.5
57.07075	1.0
65.03918	1.0
67.05499	11.7
68.23233	0.6
69.07068	2.8
71.34933	1.0
79.05487	3.6
79.14541	0.5
81.07049	13.4
83.08614	1.6
91.05465	24.3
93.07062	3.5
95.04964	3.6
95.08594	8.6
97.10162	1.1
105.07037	1.3
107.04944	1.8
107.08585	1.4
109.06517	0.6
109.10139	3.4
118.06521	0.8
119.04923	24.8
119.08566	1.9
121.06486	1.7
121.10108	1.2
123.04414	27.3
123.11668	1.8
128.94403	0.6
131.77222	0.6
133.10153	1.5
135.11708	1.4
136.07561	100.0
137.07901	1.7
137.13240	1.0
147.04391	11.1
147.11665	0.9
147.24057	0.5
149.13242	1.2
161.13237	1.2
165.05458	51.6
166.05786	1.3
175.14845	1.5
179.17851	0.7
182.08113	77.3
183.08478	0.9
189.78641	0.5
196.44542	0.6
212.10983	0.6
229.20374	0.6
245.22594	2.1
246.44518	0.6
263.23682	1.9
359.02710	0.7
398.30505	4.5
444.30881	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	1.5
67.05503	1.8
68.99747	0.8
69.03414	0.7
69.07046	1.5
69.87895	4.8
70.06566	1.7
73.16628	0.7
79.05497	1.0
81.07040	2.6
84.08127	0.9
86.09691	1.6
90.70312	0.7
91.05437	1.4
93.07029	1.7
95.08585	1.4
97.02843	0.9
98.20789	1.3
105.07023	1.0
107.08595	1.1
109.10153	1.3
111.07980	0.7
115.05516	0.8
115.50946	0.7
121.10113	0.9
126.78940	0.8
127.28119	0.7
133.10132	0.9
135.11740	0.8
137.09596	1.4
140.04947	4.1
146.68124	0.7
152.05679	1.1
154.06488	2.3
155.06032	17.7
155.07248	1.6
157.07553	1.1
157.10162	0.7
160.07610	0.7
165.09109	7.9
166.06544	1.6
166.09445	1.8
167.06038	5.7
168.06792	3.4
169.07597	36.4
169.09937	1.5
170.06013	3.1
179.05994	10.8
180.06758	1.0
181.07550	1.8
182.05927	1.3
182.08444	1.6
183.05531	18.3
183.09151	1.6
184.07611	1.5
185.07085	10.0
192.06807	1.0
193.07561	12.5
194.06038	2.6
194.07991	0.7
195.05524	27.7
196.06296	14.2
197.07083	26.9
198.05515	5.2
198.07382	1.4
199.04947	1.1
201.06641	2.1
207.05478	8.3
208.06303	1.9
209.07028	4.3
210.07838	1.4
211.05032	2.9
211.08673	6.0
213.06570	24.1
214.07077	0.8
221.07091	21.9
222.07808	0.8
223.05083	1.4
225.06561	49.5
226.07138	1.6
227.08092	1.1
229.06070	21.7
237.06651	5.3
238.07298	4.7
239.04547	3.8
239.08128	27.0
241.06050	4.4
243.07600	6.6
249.06540	9.5
253.06001	5.3
255.07814	1.9
256.08530	0.9
257.05600	5.6
257.09082	1.1
265.06152	2.3
266.06796	1.2
267.07608	18.6
269.05527	4.6
271.07123	30.6
276.07318	0.8
277.06030	12.3
277.08823	0.9
283.07117	1.9
285.05850	0.6
285.08670	28.8
295.07117	35.4
296.07382	1.5
312.09769	1.3
313.08194	34.8
314.08484	1.2
331.09241	8.6
338.14896	5.0
344.93875	0.8
362.14749	1.0
380.16010	11.8
384.15536	46.9
385.15872	1.8
398.17108	29.4
399.17593	1.2
426.16577	39.7
427.17001	0.9
444.17636	100.0
445.17926	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	443.3518
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	0.1
55.05494	0.6
57.03419	0.1
57.07062	0.1
58.70971	0.1
65.03928	0.2
67.05142	0.2
67.05497	3.0
69.03422	0.2
69.07053	0.6
69.65289	0.7
70.06570	0.1
71.04990	0.5
79.05489	0.5
81.03391	0.2
81.07049	2.3
83.04982	0.6
83.08599	0.3
84.08124	0.1
85.02886	0.2
85.06512	0.2
91.05460	0.9
93.07036	0.9
95.04941	0.3
95.08605	1.9
97.06509	0.1
97.10155	0.2
99.04465	0.1
99.08055	0.2
103.05437	0.2
105.07016	0.3
107.04948	0.2
107.08572	0.7
109.06507	0.2
109.10143	5.2
117.06995	0.2
119.08570	2.8
120.08916	0.1
121.06484	0.3
121.10131	0.5
122.07266	1.5
123.08067	0.2
123.11695	0.8
127.11156	0.3
129.06921	0.1
131.08565	0.2
131.17928	0.1
133.10146	0.3
135.07991	0.2
135.11716	0.5
137.09599	10.7
137.13210	0.4
138.09941	0.2
143.08659	0.1
145.10129	0.2
147.07991	0.2
147.11731	0.2
149.09599	1.4
149.13237	0.4
151.07532	0.5
151.14804	0.2
153.12679	0.1
161.13255	0.1
163.11198	0.1
163.14786	0.2
165.09097	100.0
166.09430	2.1
167.07025	0.1
175.07506	0.1
175.11168	0.3
175.14830	0.1
177.09111	0.4
179.06947	0.1
179.10690	0.3
189.12749	0.4
189.16269	0.1
190.09883	0.2
191.10667	0.3
191.17851	0.2
203.14304	0.3
203.17859	0.1
205.12221	0.9
205.19533	0.5
207.13867	0.1
217.19371	0.2
235.13222	0.1
263.23798	0.1
267.26974	0.1
273.25757	0.3
288.71655	0.1
291.26749	0.5
324.15051	0.1
357.27817	0.1
385.54230	0.1
425.34180	0.2
443.18671	0.1
443.35257	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2973
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99031	0.3
52.01553	0.3
53.03938	0.5
55.01867	0.9
55.05492	0.8
56.05016	0.5
57.03424	0.9
57.05817	0.4
58.06603	0.5
59.57450	0.3
60.04524	0.3
60.05642	6.7
64.52773	0.3
67.05498	2.2
68.05006	0.4
69.03429	0.9
69.07061	9.1
70.06585	25.5
71.04974	1.0
71.74347	0.5
72.04501	0.4
72.08152	2.4
73.02914	0.4
79.05494	1.7
81.03423	2.0
81.07060	1.6
82.59614	0.3
83.04984	0.5
83.08584	0.3
84.04496	1.0
84.08142	2.1
85.02895	1.1
86.09698	100.0
87.10014	0.8
91.05463	2.4
91.50223	0.3
93.07036	1.5
95.01328	1.5
95.04955	1.5
95.08590	0.9
97.02871	0.9
97.06523	0.6
97.07642	0.5
98.06070	0.4
99.04437	0.4
102.21107	0.3
103.05447	0.6
105.07047	1.5
107.04945	1.1
107.08576	0.8
107.73119	0.3
109.02863	0.8
109.06449	0.4
109.10135	0.7
112.08721	3.2
113.07120	0.4
114.10283	1.1
115.05466	0.5
115.08677	3.4
116.07076	8.1
117.07018	0.7
118.06818	0.6
119.04897	0.6
119.08552	0.6
120.08086	0.6
120.96114	0.3
121.02856	0.6
121.06505	0.4
121.10123	0.5
123.04430	0.9
123.08058	0.4
128.06142	0.3
128.10709	16.6
128.11716	0.9
129.06993	0.7
129.10245	1.3
129.11066	0.3
130.09734	2.5
131.04926	0.7
131.08604	0.7
133.06496	0.7
133.10057	0.9
135.04428	1.4
137.02316	1.6
137.05998	0.3
137.09642	0.8
145.06432	0.6
145.10117	0.5
147.04411	0.8
147.11731	0.5
149.05965	0.4
151.03889	0.9
153.01627	0.3
155.11789	0.4
156.10176	1.3
156.11311	8.2
157.09932	0.3
158.09235	6.7
159.04436	0.3
159.11707	0.5
161.06001	0.4
161.09534	0.5
163.11168	0.4
169.10027	0.4
175.03981	0.4
175.11906	19.0
177.01871	0.6
177.05464	0.4
179.03433	0.3
183.14990	0.4
185.10306	0.3
187.11171	0.6
189.01779	0.4
191.03281	0.7
193.12306	0.6
195.02881	1.3
203.10736	0.3
205.12187	0.7
215.10524	0.5
217.04955	0.4
226.15466	0.5
229.15535	0.5
233.11827	0.4
245.11758	0.3
245.15369	0.4
253.16589	0.5
263.12753	0.3
263.16348	0.8
269.18628	1.1
271.17633	7.7
281.17648	0.5
283.06152	0.4
284.06732	0.4
284.66037	0.3
287.12689	0.7
288.20239	1.0
289.14420	0.4
295.06058	0.5
299.05508	0.6
305.13608	0.7
307.15286	0.3
311.05444	5.6
312.05905	0.9
313.06943	0.4
315.12195	0.6
323.05505	0.8
323.14764	0.4
324.05988	0.5
325.07181	1.8
333.13257	1.0
337.07077	0.8
339.05106	0.4
341.06573	2.4
351.08655	0.8
351.14377	2.6
353.06546	1.8
363.17709	0.3
365.06531	0.9
367.08148	0.9
371.16974	0.4
379.08139	1.1
381.06064	1.3
383.07455	0.4
395.07669	1.5
397.08719	0.4
399.16199	0.5
401.27600	0.4
407.07434	1.7
425.08694	2.3
425.17432	1.7
425.28500	0.7
443.10547	1.6
443.18997	5.3
443.29736	84.2
444.19064	0.4
444.30014	3.6
451.55051	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2788
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22201	2.6
55.01854	4.0
55.05501	12.3
56.74459	2.7
57.03425	3.0
57.06794	6.6
57.07070	69.6
61.69519	2.5
67.05489	11.2
69.03418	4.1
69.07060	24.8
70.16247	3.1
70.71037	9.4
79.05492	12.9
81.07062	18.8
83.04971	4.8
85.06546	9.9
91.05470	18.5
93.07034	46.8
95.01285	3.5
95.04971	5.4
95.08623	17.2
105.07039	27.7
107.04926	4.4
107.08585	36.9
109.06519	7.7
109.10135	15.1
117.06953	6.1
119.08559	22.4
121.06494	10.0
121.10138	82.6
123.08053	6.2
123.11678	9.7
127.07546	4.2
129.07048	3.6
131.08556	8.8
133.10112	20.2
135.08067	3.0
135.11674	60.2
137.05977	4.0
137.09589	5.7
139.11107	5.4
143.08511	5.6
145.06325	3.2
145.10086	52.5
147.08073	4.9
147.11641	4.5
149.09596	10.8
151.11162	4.8
157.10101	3.9
159.08012	18.8
159.11713	7.4
161.06017	3.3
161.09624	4.5
163.11168	100.0
165.05508	6.7
165.09123	9.5
169.10155	5.3
171.06587	5.1
171.11642	6.5
173.09621	7.9
173.13246	4.6
175.11113	4.4
177.09119	7.6
181.10129	3.2
183.11711	3.2
187.14815	5.3
197.13229	4.4
201.09109	20.5
202.09932	3.1
211.14842	7.9
215.17909	3.7
219.10022	7.7
225.12862	3.8
229.12120	3.5
239.14171	3.5
249.12975	3.1
250.67577	3.2
253.19516	4.8
255.20988	8.5
267.13992	6.2
271.20502	7.0
281.15659	3.4
281.18964	5.6
285.14767	21.0
287.16293	4.5
303.15787	24.9
317.21115	4.7
323.19940	7.0
339.19589	4.7
341.21158	18.1
351.14154	7.7
351.19534	4.0
357.20624	15.6
359.21985	4.2
365.20996	5.2
375.21631	8.1
389.25003	6.5
407.25812	30.8
425.26889	41.4
428.49347	3.2
443.18652	4.3
443.28729	17.1
443.34360	27.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1887
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.6
54.10857	0.6
55.01863	2.1
55.05505	3.8
57.03432	1.9
67.05497	5.3
69.03416	3.1
69.07056	5.2
70.06583	7.6
71.04968	1.8
71.75133	0.8
72.08145	2.4
79.05477	6.1
81.03405	3.1
81.07042	10.0
83.04962	2.2
83.08630	2.4
84.04486	1.5
84.08132	2.0
85.02894	2.8
85.06538	1.5
86.09699	2.5
86.12183	0.8
87.04443	0.9
91.05476	7.2
93.07030	6.2
95.01320	2.0
95.04965	2.9
95.08597	6.4
97.02891	2.3
97.06527	1.4
97.10121	1.8
99.04455	0.9
103.03912	1.1
103.05469	1.0
105.07025	6.3
107.04967	1.3
107.08588	4.1
109.02879	3.0
109.06498	1.7
109.10152	4.7
111.04408	0.8
111.08070	1.1
117.07013	2.5
118.06870	1.1
119.08539	4.9
121.06470	1.1
121.10136	4.1
121.76622	0.8
123.08010	1.4
123.11716	1.2
125.09615	1.8
127.03928	1.9
129.07005	2.9
131.04967	1.2
131.08583	2.7
133.06438	1.0
133.10112	3.9
135.04408	1.8
135.08044	1.9
135.11644	1.9
137.05971	2.0
137.09602	2.2
141.06984	1.3
143.08501	1.5
145.06407	1.7
145.10120	3.0
147.04396	1.0
147.08041	1.0
147.11697	2.3
149.09593	1.8
149.13315	1.4
151.03867	1.2
151.07521	4.2
155.08517	2.2
157.06479	1.2
157.10045	1.7
159.11719	1.8
161.05948	1.1
161.09608	1.9
165.09099	12.0
167.07022	3.6
167.08334	1.0
169.10083	1.4
171.04420	0.8
173.05994	2.0
173.09641	1.0
173.13248	1.5
175.03931	0.8
175.11157	1.2
177.09068	0.8
180.31172	0.7
182.81976	0.8
185.13278	1.1
187.07524	1.2
187.14824	1.0
189.05475	1.1
189.09146	1.0
191.10669	2.4
193.12260	1.0
195.13560	2.8
199.11047	1.2
205.12276	1.6
221.04427	1.1
223.08546	1.0
223.12880	1.0
233.11632	1.1
254.17557	1.9
269.11838	1.2
277.10721	3.2
287.12741	2.1
297.11383	1.0
300.18015	1.1
305.13773	1.0
315.12378	3.2
333.13303	11.8
334.13724	0.8
339.12128	1.8
351.14520	1.8
357.18869	10.0
399.19864	36.7
400.20319	1.2
415.53473	0.8
421.47873	0.9
425.18118	5.9
443.18851	100.0
444.19003	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1695
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14204	2.6
52.58715	2.1
57.87146	2.5
67.05495	3.2
69.07053	2.8
69.52740	20.6
70.06583	7.7
72.08103	3.3
73.30219	2.3
78.04697	4.1
79.05476	4.2
86.09693	7.1
91.05471	10.1
95.04958	4.4
103.05432	5.3
103.19988	2.4
105.07008	13.5
106.04140	3.0
107.04953	3.0
115.05444	8.6
119.04926	3.0
119.08565	6.1
123.04415	12.0
123.07995	2.6
125.05952	5.4
128.06184	6.1
129.06987	5.4
129.24872	2.6
131.04872	6.4
132.05685	3.4
133.06496	12.0
137.05943	9.5
143.04799	2.5
145.06512	3.5
147.04407	2.5
147.08032	7.7
151.03860	3.2
151.07553	14.8
152.04695	3.4
153.05432	10.5
159.08069	7.8
160.05219	3.4
161.06029	13.4
165.05455	3.1
165.09105	8.0
166.06270	2.6
167.07014	100.0
168.07466	2.3
172.05237	2.8
175.07527	55.9
177.12782	4.2
178.07689	3.4
179.08511	3.6
187.07518	21.4
189.05406	3.7
190.07806	4.3
191.08504	4.1
199.07576	9.8
202.07735	3.0
203.06905	3.2
203.08606	4.7
218.07141	4.1
219.08080	12.6
221.06094	2.8
231.08044	6.6
233.05887	5.4
233.09631	4.5
234.06654	3.2
234.10175	2.6
235.07536	7.3
236.08514	2.7
237.09134	4.8
239.09109	16.2
245.05849	3.8
246.06790	4.7
247.07553	7.3
248.08311	5.5
249.09056	8.1
250.06282	2.9
250.09755	2.6
251.10706	2.9
259.07394	3.6
259.16928	2.4
260.08334	4.2
261.05460	2.7
261.09119	5.7
262.09854	3.1
263.06976	4.1
263.10690	4.7
264.07886	5.0
265.08560	6.4
275.07031	5.2
276.07755	8.1
277.08585	10.1
278.09390	2.8
279.06229	2.8
279.10287	7.2
281.08218	4.2
281.11612	4.7
289.08542	5.7
291.10156	5.5
292.07440	3.5
292.10590	3.1
293.08368	5.2
293.11591	2.9
306.08969	4.4
307.09564	5.3
308.10437	5.4
309.11380	3.8
319.09641	10.0
320.10291	5.1
321.11252	9.5
323.12726	5.2
324.13437	8.7
336.13403	3.3
337.10657	6.4
339.12234	84.5
340.12949	15.7
351.12271	23.4
352.13037	14.4
425.15839	4.4
443.11490	2.5
443.15088	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	443.1656
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26449	0.6
53.03910	0.8
55.01838	0.7
56.04996	0.7
57.03400	1.6
60.16414	0.7
61.02888	1.6
69.03425	5.7
70.69830	1.1
70.70184	1.7
71.04951	0.8
73.02863	0.8
79.05456	1.5
81.03368	1.7
84.04495	24.3
85.02901	8.2
87.04438	1.4
92.14691	0.5
93.86003	0.5
95.64262	0.6
97.02892	3.9
98.02383	0.5
99.66113	0.5
102.04890	0.7
102.05524	10.0
106.06534	7.0
107.04942	5.4
108.87446	0.5
109.02860	1.1
111.05535	0.9
112.03928	1.2
116.04971	3.5
123.55806	0.6
127.03868	2.2
127.55236	0.7
130.04984	11.4
130.06483	1.0
132.06822	7.1
133.07591	6.8
134.05991	5.7
144.08022	1.8
148.06017	4.6
154.06372	0.9
156.08084	4.5
158.04420	2.2
171.09146	7.6
199.08656	10.6
200.07065	1.0
202.08609	0.7
217.09753	4.5
218.08098	0.8
235.10741	1.9
236.09138	1.3
245.09181	6.6
263.10233	4.0
281.11292	100.0
282.11691	1.8
398.79538	0.6
406.69791	0.5
408.17892	0.7
443.16580	60.7
444.16904	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.0816
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03706	1.7
53.03938	20.6
53.24975	1.0
55.01859	10.6
55.05486	4.5
57.03426	7.3
57.48737	1.4
61.02896	2.1
62.06334	1.2
65.03940	2.3
67.01865	1.3
67.05486	5.4
68.39583	1.3
68.99789	16.1
69.03420	52.9
70.06580	16.3
71.01332	5.1
71.04969	7.0
72.08126	6.0
73.02901	4.9
73.33314	1.1
75.42525	1.3
79.05486	6.0
81.03407	100.0
81.07026	1.8
83.01313	1.8
83.04971	7.9
83.50627	1.4
84.04516	2.0
84.08125	5.7
85.02383	2.0
85.02895	41.6
85.07643	5.0
86.09702	10.5
87.00816	17.8
87.05582	2.8
88.03990	1.9
91.05465	8.9
91.05946	1.4
93.03381	2.2
93.07009	1.2
95.01312	3.1
95.04935	10.7
95.08578	1.6
97.02882	51.8
99.04444	18.3
100.42567	1.5
101.02426	1.9
103.03943	3.7
103.05460	1.7
105.01852	2.7
105.03378	4.8
105.07018	4.7
106.03738	1.8
107.04924	5.4
109.02866	89.2
109.06506	1.5
110.03676	3.3
110.07094	1.6
111.04422	13.3
113.02341	2.5
115.05415	2.0
117.01902	1.4
117.07028	2.7
118.06882	2.4
119.04962	3.2
120.08070	3.1
121.02863	4.5
121.06475	2.4
123.04413	13.2
125.02322	10.1
127.03899	86.3
129.01826	2.5
129.10213	5.1
130.08620	1.6
131.04868	2.4
133.06483	3.7
135.04408	4.6
137.02306	3.4
137.06004	1.9
139.03880	5.8
141.01820	1.7
143.03424	1.9
145.04977	2.8
147.04401	3.8
149.02345	3.0
149.05927	2.1
151.03877	13.9
153.01796	2.4
155.03372	2.2
159.02908	2.4
161.05960	5.3
163.03902	5.2
165.05482	3.0
169.04936	4.6
171.02855	12.8
171.04199	1.9
175.03918	3.1
177.05458	1.5
181.04953	1.6
187.05940	1.6
189.02267	1.1
189.04013	6.5
189.05316	6.6
191.03383	2.9
193.04955	5.9
195.02876	6.1
201.12454	1.8
205.04948	1.9
207.06519	3.4
208.03024	1.3
213.02069	2.2
213.03912	19.5
217.04999	5.8
219.02864	2.9
231.04990	4.8
233.04510	1.7
235.05937	9.9
245.04437	1.5
246.14658	1.4
253.07042	6.5
259.04431	1.9
261.03888	2.3
264.07236	1.9
271.08115	2.4
279.06403	2.7
280.06595	3.1
281.07245	5.0
283.08780	1.8
291.06461	2.4
292.06955	3.1
293.07089	8.0
294.07883	3.8
295.08044	1.6
305.07928	1.3
306.08606	1.5
307.08826	4.0
308.09579	2.6
309.07401	6.9
310.07974	7.2
311.08173	21.5
321.06351	5.6
322.07669	3.6
323.08231	9.7
336.09555	2.3
337.09726	5.1
339.07132	9.1
351.14493	3.1
357.08154	4.8
361.09686	1.6
363.08203	2.4
365.09219	16.3
377.09286	3.9
381.07767	2.4
389.09149	4.8
395.10132	3.7
407.05911	4.1
407.10306	5.0
421.21518	1.4
425.06506	11.1
425.11462	3.8
425.17065	1.5
443.08142	12.9
443.12558	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	442.2333
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43599	0.6
55.05498	1.3
57.03403	0.7
58.06605	0.7
59.04988	1.1
67.05495	3.1
69.07061	2.2
70.06582	4.1
71.72861	0.8
72.08149	1.5
79.05491	2.5
81.07055	4.7
83.04967	0.9
84.04494	1.5
91.05456	3.1
93.07023	2.2
95.04955	1.1
95.08601	2.6
97.06505	0.8
105.06994	2.0
107.08578	1.8
109.10154	1.4
115.05499	0.8
116.07066	0.7
119.08598	1.3
120.08077	1.1
121.10188	1.0
123.11623	0.7
129.06966	1.0
130.05051	0.8
130.06519	6.1
132.08084	1.2
133.10086	0.9
140.04926	0.9
144.06921	0.8
144.08046	1.3
145.10109	0.7
146.05977	1.6
147.06795	0.9
148.07526	1.0
156.06860	5.7
156.08020	1.1
157.07599	6.6
158.06078	1.1
158.09583	0.8
165.09090	0.7
169.06409	1.5
169.07616	4.8
170.09697	1.1
182.08353	1.7
182.15308	0.9
183.09152	1.7
185.07059	2.6
194.07166	2.4
195.09190	2.1
197.07143	1.2
197.10785	0.9
202.07399	4.8
209.30185	0.7
223.06506	0.7
223.08737	1.5
228.08765	0.8
240.07681	0.8
279.18561	1.0
307.18051	1.4
314.19531	0.8
316.19641	0.7
317.20248	0.7
321.60388	0.7
325.19186	2.5
334.22702	1.1
351.20670	1.2
362.22150	1.7
371.19492	2.5
378.21786	7.8
380.23795	0.9
406.21176	15.9
407.21613	1.5
415.22406	1.0
424.22269	100.0
425.22519	6.3
442.28644	1.4
443.27927	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.2796
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08411	0.5
55.01856	2.3
55.05504	4.2
56.05035	4.5
57.07076	0.5
67.05497	5.8
69.07050	2.7
70.06567	1.2
70.10712	0.5
71.05002	1.2
71.08623	0.9
71.73386	0.8
72.08153	0.5
79.05486	3.3
80.05766	0.6
81.03388	0.6
81.07045	7.3
82.18705	0.5
83.04960	1.7
83.08613	3.0
84.04496	100.0
85.04854	0.7
85.10168	1.1
90.68279	0.5
91.05480	4.1
93.07039	4.5
95.04965	2.0
95.08624	4.8
97.06514	1.0
97.10168	0.9
99.08080	0.5
102.05527	4.8
105.07028	2.5
107.04932	0.9
107.08566	2.5
107.92023	0.4
109.06483	1.2
109.10152	1.4
111.08086	3.4
113.06059	0.5
113.09641	1.1
117.07065	0.6
119.08583	2.6
121.10165	1.4
123.08050	0.9
123.11694	1.1
125.09615	0.6
128.65794	0.6
129.06989	1.3
130.04990	69.0
130.06544	2.7
131.05293	0.9
131.08565	1.5
133.10112	2.6
135.11690	1.4
143.08549	0.7
144.08067	0.6
145.10095	1.1
146.06017	1.4
147.11687	3.1
148.06039	2.9
149.09624	1.2
149.13251	1.2
150.07736	0.6
151.02110	0.6
151.11183	1.5
155.19070	0.5
156.06860	0.7
157.07629	2.1
157.10103	1.2
158.06015	1.6
159.11662	0.9
161.13278	0.8
163.11195	1.0
165.09123	1.2
165.12732	3.9
169.07614	0.9
179.14262	0.8
185.07089	2.2
193.12244	0.8
195.09224	0.6
202.07336	0.7
214.17987	0.7
249.22203	1.2
259.20538	1.6
277.21616	20.3
291.08215	0.5
295.22665	7.9
314.37833	0.5
325.19287	0.7
334.22223	0.6
336.73022	0.5
371.19528	0.7
378.26132	1.3
379.19794	0.5
396.27383	4.4
397.21228	1.0
415.21875	0.7
424.22214	24.1
424.27866	1.2
425.22446	2.0
442.28098	17.3
443.28311	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.3
55.01871	0.8
55.05503	0.7
56.05021	2.1
56.96557	1.5
57.03423	1.7
61.02914	2.1
67.05498	2.4
69.03422	7.1
69.07079	0.6
69.82867	3.5
70.06581	1.3
71.04989	1.4
72.08138	1.2
73.02914	2.0
74.02450	1.2
79.05468	3.3
81.03408	2.3
81.26849	0.5
82.06576	1.8
84.08133	87.3
85.02899	11.5
85.06534	4.1
85.08462	1.7
85.08984	0.5
86.09674	3.1
87.04449	1.6
91.03967	1.2
91.05455	0.9
91.80592	0.5
92.83698	0.5
97.02876	6.9
98.97559	3.6
99.04446	1.4
102.09156	1.6
106.06548	4.4
107.04938	8.1
109.02874	1.1
109.23966	0.6
110.97527	0.5
111.09209	2.2
112.07588	6.3
112.99028	0.6
113.00955	0.9
115.02412	1.3
116.98665	0.9
118.06548	0.6
119.01874	1.3
119.71435	0.5
125.73267	0.5
127.03889	3.2
128.07091	1.7
128.98546	0.9
129.10202	0.9
130.08627	30.0
131.00177	1.1
131.01878	0.8
132.06837	0.6
133.03470	0.7
133.07603	6.4
134.05974	0.9
136.06133	1.4
145.03415	1.0
145.04964	2.7
147.04301	0.6
147.11258	1.7
151.08630	5.0
155.01959	1.5
157.09720	18.4
158.99619	0.6
159.04967	0.6
161.02933	1.0
171.05011	0.7
177.04182	0.7
189.00706	0.8
189.03606	0.9
190.12280	1.0
199.12318	1.1
201.00662	0.7
201.06241	0.7
203.07436	0.7
206.78056	0.7
217.13342	7.1
219.01808	1.7
221.05058	1.5
221.09305	0.8
235.14397	20.8
235.16789	1.0
237.02843	1.1
245.05101	1.0
245.12917	0.7
256.11804	1.1
261.08160	0.7
272.80872	0.5
278.18710	0.6
279.03870	0.6
279.09314	1.5
280.04437	0.7
280.16534	41.7
281.16910	2.2
305.10736	0.8
319.14944	4.3
321.10400	1.1
323.05847	0.7
359.01065	1.0
359.04962	2.1
397.19571	2.2
442.21805	100.0
443.06360	0.8
443.22070	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	442.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.1
55.01860	1.6
56.04996	2.7
57.03399	1.8
60.87536	0.8
61.02896	2.5
68.05009	1.3
69.03105	0.9
69.03419	11.7
70.06560	1.8
71.25519	1.4
73.02876	2.3
74.02428	1.2
79.05489	5.3
81.03379	3.6
84.04494	94.2
84.08138	14.0
85.02899	19.1
86.06977	1.2
86.09667	1.2
87.04451	2.0
91.03954	1.3
97.02882	6.2
101.07124	13.7
102.05506	3.2
106.06537	11.7
107.04942	10.7
109.02862	1.5
112.03947	5.1
112.07539	1.1
116.04956	13.6
127.03834	2.8
129.06573	13.2
130.04985	28.8
130.06470	1.1
130.08620	4.8
132.06760	2.8
133.07584	10.4
134.05997	25.0
144.07994	2.8
145.04984	1.0
147.07574	3.5
151.08617	9.0
152.07066	7.0
156.08047	4.1
157.06000	6.5
157.07564	2.6
157.09647	2.3
158.05959	1.2
165.59474	0.9
171.09143	10.5
172.07501	2.1
185.07072	3.2
193.37889	0.9
199.08646	12.1
200.06956	3.3
202.30742	0.8
208.08067	1.4
217.09573	3.7
218.07986	3.7
227.08020	2.9
228.06439	1.4
235.10760	2.0
235.14328	2.1
245.09209	14.7
246.07651	1.6
263.07645	1.4
263.10254	21.4
280.12903	81.9
280.16269	6.7
281.11188	13.5
296.11203	1.0
425.15125	3.5
442.17892	100.0
443.16968	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	442.1704
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.1
55.01860	2.0
56.18005	0.8
57.03426	5.3
61.02915	4.4
62.32285	0.8
67.05499	0.9
69.03426	9.7
70.05219	2.9
70.05633	1.6
70.06578	1.5
71.01344	1.4
71.04983	3.6
73.02895	1.9
75.04489	1.6
79.05490	4.3
80.79243	0.8
81.03427	3.8
82.06550	1.1
83.04974	10.3
84.04499	1.3
85.02896	43.2
87.04465	2.5
91.03918	1.1
91.05483	2.4
97.02891	8.1
99.04422	1.6
102.05547	1.8
103.05448	1.4
106.06548	22.5
107.04929	7.2
109.02853	3.4
110.06006	1.4
111.04424	7.8
118.06525	3.9
127.03902	4.0
128.07047	4.8
129.05461	10.0
130.06514	8.3
132.08081	10.4
134.06003	49.4
135.06435	0.8
144.08080	3.4
145.04945	2.5
146.05966	1.5
146.08073	1.2
152.07062	3.0
158.06003	78.1
159.06342	2.4
160.07574	3.1
162.05484	1.4
162.68658	0.8
172.07556	7.0
176.07060	15.6
186.05504	3.6
188.07089	2.3
200.07112	6.5
207.13963	0.8
218.08119	1.6
219.61543	0.8
244.09799	1.4
262.10721	10.4
280.11777	100.0
281.12140	2.3
296.11267	1.8
442.17072	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	442.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.7
53.23344	0.9
55.01884	0.8
56.05024	2.6
57.03425	2.1
61.02917	1.9
62.79308	0.6
66.06467	0.6
68.04977	0.8
69.03420	11.6
71.04983	1.3
71.56571	1.4
73.02901	1.3
74.02428	1.4
79.05470	4.4
81.03391	3.6
84.04491	94.9
84.08071	0.8
85.02892	15.1
87.04443	1.4
96.13671	0.8
97.02893	5.3
99.04450	0.9
101.07137	13.7
102.05522	2.2
106.06523	9.9
107.04943	8.4
109.02872	1.9
111.05579	1.5
112.03949	4.3
116.04968	14.3
126.39675	0.7
127.03900	2.5
129.06577	12.3
130.04984	25.2
132.06770	1.1
133.07588	9.3
134.04935	1.2
134.05988	22.5
144.08086	2.4
145.04974	1.1
147.07686	3.6
151.08655	8.6
152.07033	6.8
156.08046	3.7
157.06078	5.5
158.05937	1.0
171.09160	9.5
172.07576	1.9
178.31937	0.8
185.07111	2.2
194.42471	0.7
199.08659	12.7
200.07141	3.8
200.08679	0.9
201.10156	0.7
202.08676	1.7
208.08142	1.7
216.47893	0.7
217.09714	3.8
218.08125	3.3
227.08197	2.5
228.06427	0.9
234.12523	0.8
235.10674	1.6
245.09181	14.6
246.07512	1.5
263.10248	20.0
280.12881	77.9
281.13135	0.9
296.11508	1.3
425.15436	2.5
442.18161	100.0
443.18533	2.6
453.90878	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.1131
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	3.3
56.05030	0.9
57.03426	1.1
59.04973	1.6
65.03940	0.9
67.05495	3.6
68.99782	1.8
69.03405	2.2
69.07052	2.5
70.06586	7.8
71.04982	1.5
71.73618	1.2
72.08144	2.2
72.70543	0.8
73.02888	1.2
79.05473	3.1
79.41325	0.8
80.04981	0.8
81.03424	2.4
81.07063	6.5
83.04960	1.4
83.08566	0.9
84.04478	1.3
84.08139	2.3
85.02904	1.2
86.09703	1.8
89.06003	3.3
91.05480	3.5
93.07031	2.9
94.02911	1.5
95.04960	1.4
95.08598	5.1
97.10190	0.9
102.05515	1.2
105.03398	1.1
105.07033	3.6
107.08607	2.5
109.02869	1.0
109.06519	1.1
109.10135	3.0
111.04453	1.7
112.03959	0.9
116.07080	1.5
119.04921	4.9
119.08569	3.0
120.08102	3.8
120.08884	1.2
121.02850	16.0
121.10129	3.1
122.06037	1.2
123.08104	0.8
123.11705	1.3
129.10210	1.3
131.04924	1.0
131.08533	1.1
133.08566	1.2
133.10135	1.8
135.11714	1.3
136.07556	1.3
137.02347	0.8
137.09627	1.5
138.09114	3.2
141.01831	1.5
145.01736	1.0
145.02791	4.8
145.10092	0.9
149.09573	1.0
149.13348	1.0
151.07510	1.4
159.08104	1.1
159.11647	1.2
160.03949	3.8
161.02434	1.2
163.03886	3.5
165.01805	8.8
165.09087	13.7
166.09451	2.3
167.03404	3.2
170.08096	1.5
177.01807	1.1
177.09081	0.9
179.03394	1.8
183.02843	5.2
187.03876	2.6
188.03426	0.8
189.01833	3.3
189.08977	1.1
193.01271	1.3
195.02838	1.0
203.10687	1.6
205.12184	0.9
207.02898	3.6
209.00766	1.6
215.03374	0.9
221.00777	3.1
224.16479	1.2
226.04936	1.0
228.02844	1.1
229.04959	2.1
234.43613	0.9
239.07097	1.1
249.03940	1.0
254.17467	12.0
255.06581	0.9
265.04974	2.1
267.06464	4.7
269.04401	1.1
270.05423	7.6
270.16855	5.1
271.06003	10.0
273.03940	1.5
279.06421	5.5
281.07996	1.4
283.05972	64.4
284.06656	9.3
288.05057	1.1
292.07123	2.0
295.06033	18.3
297.03952	2.8
297.07553	7.3
300.18030	4.9
305.08051	3.4
307.05939	13.9
308.06668	1.4
309.03830	3.3
309.07520	3.9
310.07663	2.4
311.05475	3.1
313.07031	23.3
314.07681	0.9
321.03912	12.0
321.07596	2.8
322.07834	1.8
323.05472	12.0
323.09152	3.0
325.07123	4.3
332.09198	1.3
333.07507	8.1
334.07114	1.1
335.05408	8.9
335.08978	1.6
339.04648	1.0
344.09195	4.4
346.07153	3.7
350.10248	2.0
350.61166	1.0
351.08521	1.8
360.08539	6.8
361.06918	4.2
362.06534	19.1
370.06967	2.3
374.17102	1.1
378.09714	4.7
379.08130	3.1
380.07581	3.3
388.08118	38.7
389.06427	24.1
390.06766	0.9
392.18680	1.9
397.09195	7.7
406.09177	100.0
407.08411	3.3
424.10236	44.4
424.26614	1.1
425.10410	1.6
441.33224	1.7
442.11252	19.5
442.24246	1.5
442.28391	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.1128
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.0
55.01846	0.9
55.05491	2.4
59.05008	1.2
61.93832	0.7
64.95712	0.6
65.03928	1.3
65.04596	0.6
65.12683	0.7
67.05494	3.7
68.28590	0.7
68.99797	1.3
69.03408	2.2
69.07056	1.6
70.06570	2.6
70.07375	0.6
71.75049	0.6
72.08138	1.0
73.02907	1.2
76.55563	0.7
79.05471	2.3
81.03405	1.5
81.07043	6.2
83.04945	1.0
83.08585	0.8
84.04484	1.3
84.08120	0.9
85.02908	1.4
85.74853	0.7
86.09673	0.9
91.05486	3.4
93.03407	0.8
93.07027	4.5
94.02921	1.2
95.04953	1.5
95.08598	4.0
97.06494	0.9
99.08123	0.8
105.07030	2.3
107.08591	2.3
108.08907	0.9
108.13832	0.7
109.02839	1.2
109.10147	3.8
112.03967	1.2
117.06950	1.1
119.04926	6.6
119.08578	2.9
121.02859	14.8
121.10107	2.0
123.11710	0.9
127.03868	1.1
131.04926	0.7
131.08568	1.3
133.10100	2.0
135.11676	1.1
137.02303	1.4
137.09610	4.8
138.09889	1.1
141.01793	1.6
145.02794	3.9
145.10120	1.2
146.05997	1.0
147.11700	0.8
149.02341	1.2
149.09674	1.9
150.05457	1.2
151.07509	1.8
153.01791	1.6
157.10091	1.0
158.94524	0.7
159.11636	1.6
160.03908	2.0
161.02292	1.1
163.03853	3.4
165.01834	9.5
165.09096	27.0
166.09412	5.9
167.03387	1.8
177.01805	1.0
177.09024	1.6
179.03360	3.1
181.06451	0.8
183.02899	5.2
187.03923	2.7
189.01797	2.9
191.03278	0.9
191.10626	1.0
195.02985	0.9
203.10512	1.4
205.12204	1.6
207.02882	1.4
215.03348	1.4
217.12054	0.9
221.00850	4.2
229.04932	1.6
239.07028	0.8
242.05811	1.7
243.17854	0.7
255.06471	0.8
265.04849	2.6
267.06573	4.5
269.04333	1.4
270.05295	8.0
271.05975	8.7
273.03775	1.1
279.06540	4.8
280.07004	1.0
281.04431	1.3
281.07999	1.2
283.05963	61.3
284.06671	8.6
288.04971	0.9
294.05051	1.6
295.05978	18.3
297.04031	3.0
297.07550	12.6
299.05457	1.0
305.08066	2.6
307.05981	10.5
308.06412	1.8
309.03879	3.7
309.07516	4.1
310.07233	1.5
311.05353	3.6
313.07025	19.8
314.07608	0.8
321.03970	11.6
321.07538	2.4
323.05478	6.1
323.09122	2.6
325.07077	5.9
332.09073	1.0
333.07446	7.0
334.07193	1.3
335.05231	5.4
337.07117	1.5
339.05078	1.3
343.08032	3.6
344.09183	4.9
346.07098	2.9
350.10321	2.6
351.08661	1.2
360.08615	6.3
361.07181	2.4
362.06549	14.9
362.10785	1.3
363.06467	0.7
368.07635	0.9
370.07077	2.6
378.09860	4.1
379.08139	2.3
380.07620	2.8
388.08096	37.5
389.06488	27.1
390.06735	1.9
397.09143	4.9
406.09167	100.0
407.09610	5.0
424.10217	35.8
425.10626	2.5
441.33536	1.2
442.11215	18.5
442.34052	1.7
443.11832	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3723
Annotation	12Z,15Z,18Z,21Z,24Z,27Z-triacontahexaenoic acid
Peak:m/z	Relative Intensity
55.01857	1.3
55.05509	7.7
57.07066	4.2
63.00636	1.5
67.05141	1.7
67.05496	28.4
69.07069	9.8
71.75832	2.9
72.39034	1.6
79.05492	10.0
81.07050	26.1
83.04988	2.1
83.08602	6.5
91.05456	12.5
93.07043	19.0
95.04940	2.2
95.08597	39.5
97.10161	5.9
105.07007	21.3
107.08580	25.5
109.06500	1.5
109.10143	100.0
110.10491	1.8
111.08042	2.7
117.06955	3.8
119.08572	22.3
121.10132	21.4
123.08102	1.8
123.11693	10.9
125.09618	3.5
129.06960	3.0
131.08548	13.8
133.10129	18.0
135.11678	10.9
136.14526	1.2
137.09575	1.4
137.13235	1.5
143.08488	2.5
145.10117	16.9
147.11681	12.3
149.09618	1.9
149.13245	10.2
150.29150	1.4
151.03871	1.8
157.10085	4.4
159.11673	15.1
161.13257	12.2
163.11234	2.1
163.14876	7.1
165.09108	9.4
165.12886	1.6
171.11623	2.3
173.13199	11.5
175.14819	15.0
177.16333	2.8
179.14207	2.7
185.13235	3.4
187.14783	14.4
189.16373	10.0
197.13240	1.6
199.14839	2.0
201.16376	18.5
203.17924	3.7
205.15857	7.9
213.12770	1.6
215.17932	5.2
217.19453	2.3
219.17464	4.3
223.28986	1.4
227.17935	2.5
229.19420	1.6
240.88745	1.6
241.19534	2.1
243.20988	2.7
268.53857	1.6
295.24188	2.2
297.25809	18.1
315.26706	13.3
317.04681	1.4
321.07175	1.7
328.50616	1.4
405.35129	3.1
423.31467	1.7
423.36182	10.2
441.17462	2.7
441.37457	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	441.2842
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58933	12.8
53.87460	11.7
55.05490	25.3
56.93488	11.6
57.03424	17.1
57.07066	14.2
67.05502	100.0
69.03420	29.4
69.07042	35.6
69.94669	62.3
69.95087	27.2
71.05010	13.8
71.08621	15.9
79.05483	62.2
81.03401	28.3
81.07056	87.5
85.02884	49.8
85.10185	18.2
85.50272	14.0
89.06026	59.2
90.06360	21.8
91.05470	29.8
93.07040	58.2
95.08616	74.1
97.02869	17.2
98.21394	24.9
105.07015	46.7
107.08596	47.9
107.80524	13.8
109.10134	53.8
119.08614	24.0
121.10145	48.5
123.11677	31.6
127.03856	20.1
133.08578	37.4
133.10135	32.6
135.11696	32.5
137.13307	17.9
140.31015	12.4
145.10184	16.4
147.11661	27.3
149.09653	16.2
149.13254	25.9
159.11690	28.0
161.13168	15.3
163.14787	16.5
211.64163	13.1
261.22150	57.6
279.23413	17.0
285.21899	14.6
303.23105	26.0
331.02066	13.8
369.24197	28.2
387.25275	27.1
397.12350	13.4
405.26382	47.5
423.27179	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	441.1524
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96558	24.9
61.27626	1.7
61.44375	1.8
67.05479	2.0
69.07072	5.1
70.06589	2.4
71.74567	1.7
81.07043	21.0
84.96037	10.9
91.05461	7.2
91.13626	1.7
95.08594	5.5
97.96757	3.0
98.97577	100.0
102.97063	2.1
109.10165	1.9
110.97588	9.8
112.99113	13.5
115.97785	1.9
116.98610	74.4
128.98596	10.7
131.00163	34.5
134.98700	2.9
134.99652	40.5
140.00197	5.9
140.98546	1.8
142.96501	3.1
144.98068	5.3
146.99677	13.3
149.01222	28.6
153.00706	4.5
158.01227	6.3
158.99632	36.7
160.97610	3.8
161.01224	6.1
162.99121	7.1
167.02214	2.8
170.99657	4.3
172.02792	2.3
173.01195	25.9
174.99156	4.4
177.00694	50.1
184.97574	2.5
189.00774	6.5
191.02254	26.4
195.01718	2.2
200.02287	6.3
201.00742	12.0
202.98647	6.6
211.10037	2.1
214.03889	5.5
219.01747	24.2
220.99716	2.8
237.02777	34.9
242.03342	3.5
244.99680	11.3
253.02382	2.8
253.11148	4.5
255.03857	2.0
260.04486	4.6
263.00528	2.8
289.05356	2.1
303.01212	2.9
320.69043	2.0
355.09833	4.3
355.14230	79.4
356.14539	4.0
367.11639	4.1
373.15314	64.5
396.16995	8.4
397.15237	44.7
398.15729	2.6
415.16284	7.4
441.15573	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	441.1498
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	9.4
55.01867	9.3
57.03431	9.8
60.04524	23.5
60.29646	2.3
61.02918	4.5
68.99783	3.6
69.03423	42.7
69.65923	8.4
69.66353	7.6
70.06575	5.5
71.04964	4.0
73.02911	7.6
79.05483	6.8
81.03408	52.3
84.08143	2.4
85.02898	66.4
86.09712	3.0
87.00824	31.0
89.03913	8.4
89.20879	1.7
91.03952	2.8
94.06544	6.3
95.04955	7.6
97.02885	27.0
98.20697	4.5
99.04446	16.5
100.11202	2.4
103.05475	8.4
104.05001	11.7
105.01846	20.5
105.07018	4.1
106.06514	3.4
107.04936	13.5
109.02872	44.7
110.07247	1.9
116.04967	49.9
117.01827	4.7
118.06504	3.0
120.08100	28.6
122.06027	3.2
124.39594	2.3
127.03906	59.0
129.01860	2.4
130.06519	31.8
131.04999	3.2
131.06039	8.1
132.04443	44.2
134.05992	7.5
136.03926	7.5
140.04979	2.2
142.05275	9.4
145.04921	18.1
147.02866	3.3
147.09169	2.2
148.07550	26.9
156.21620	2.1
157.07599	85.6
158.05974	7.6
158.08223	2.0
159.02873	17.5
166.08664	3.5
175.08650	100.0
189.02112	2.2
193.04904	9.6
193.09724	32.5
231.04984	10.8
321.07413	3.1
330.72760	2.2
337.13998	2.0
339.85748	2.3
379.14905	2.4
423.14142	2.4
441.15097	12.4
448.41669	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	441.1176
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01574	0.1
51.02377	0.1
53.03931	1.1
55.01615	0.1
55.01859	1.4
55.05493	0.1
57.03425	1.4
61.02913	1.7
65.03915	0.6
67.01857	0.1
67.05490	0.3
68.99765	0.9
69.03415	0.8
70.06584	0.4
71.01340	0.2
71.04987	0.1
71.74825	0.1
72.08132	0.2
77.03945	0.3
79.01839	0.1
79.05472	0.5
81.02978	0.1
81.03402	1.3
81.07036	0.5
83.01321	0.5
83.04970	0.3
84.08124	0.3
85.02887	4.0
85.07648	1.9
86.09686	0.2
89.03889	0.2
91.05460	1.0
92.02583	0.1
93.03375	1.6
93.07007	0.1
95.01321	0.2
95.04947	2.2
95.08562	0.1
97.02863	0.7
99.04417	0.2
103.03920	1.3
103.05441	1.7
103.06144	0.1
105.03366	22.4
105.04507	0.6
105.07001	0.7
106.03692	0.2
107.01280	0.3
107.04923	0.8
109.02847	1.7
109.06494	0.2
111.00811	0.1
111.04407	0.6
115.05431	0.6
117.03326	0.2
117.06995	0.3
119.04930	0.4
119.08556	0.1
121.02827	1.1
121.06475	0.2
123.00793	0.1
123.04392	0.3
125.02353	0.2
127.03896	0.3
127.05450	0.1
128.06216	0.2
129.01903	0.1
129.03333	2.6
129.06975	0.2
131.04887	0.9
133.02805	0.5
133.06450	0.6
134.03596	0.2
135.00826	0.1
135.04364	0.6
136.01497	0.1
137.02319	0.5
139.03880	0.5
141.01834	0.2
141.06927	0.2
143.04868	0.6
143.08635	0.1
145.02832	0.6
145.06438	0.4
147.04372	1.3
148.01482	0.1
148.05110	0.1
149.02333	0.3
149.05957	0.2
150.03084	0.2
151.03865	0.8
153.01799	0.2
153.05400	0.1
153.06920	0.1
155.03375	0.2
155.04869	0.6
157.02779	0.1
157.06445	0.2
159.04382	1.0
161.02287	1.1
161.05925	0.7
163.03857	0.7
165.01772	0.9
165.05466	0.2
165.06984	0.2
167.03363	0.3
167.04756	0.1
167.08609	0.2
167.99208	0.1
168.04146	0.7
169.01192	0.1
169.04887	0.2
169.06337	0.1
171.02917	0.1
171.04379	0.7
172.05194	0.1
173.02286	0.8
173.05937	0.5
175.03871	0.7
176.00999	0.7
176.04636	0.2
177.01801	1.4
177.03333	0.1
177.05423	0.7
178.07719	0.1
179.03345	3.1
179.08514	0.2
180.04213	0.1
181.01324	0.1
181.04915	0.7
181.06467	0.2
183.02933	0.1
183.04398	0.5
183.07962	0.1
184.05289	0.1
185.05914	0.3
186.03073	0.3
187.00206	0.1
187.03868	1.9
189.01791	3.9
189.05406	0.3
189.07016	0.2
190.02548	1.0
191.03345	4.0
191.06937	0.2
191.08440	0.2
192.03954	0.1
193.01341	0.1
193.04955	0.3
194.02071	0.8
194.07222	0.2
195.02844	5.0
195.06487	0.4
195.07919	0.1
197.04391	1.1
197.06007	0.2
197.09515	0.1
199.03847	0.3
199.07384	0.1
200.04570	0.4
201.01804	0.8
201.05431	1.0
202.02585	0.1
202.07768	0.1
203.03316	1.6
203.08553	0.1
204.04124	0.6
205.01343	0.1
205.04924	1.9
207.02834	5.1
207.07999	0.4
208.03613	0.7
209.04330	0.3
209.06070	0.2
210.06715	0.2
211.03806	0.8
211.07349	0.2
213.01820	0.2
213.05330	0.3
214.02573	0.1
215.03333	1.2
215.08548	0.1
216.04135	0.1
217.04941	0.8
217.09958	0.1
218.02063	0.1
218.05518	0.2
218.07272	0.2
219.02834	1.5
219.06227	0.5
219.08289	0.1
221.00893	0.1
221.04347	0.6
221.06133	0.1
223.02138	0.1
223.05974	0.1
223.07553	0.8
223.42461	0.1
224.08281	0.4
225.03743	0.9
225.05792	0.1
226.06108	0.1
227.03410	0.4
227.06871	0.5
228.04166	0.2
228.09169	0.1
229.04898	2.3
231.02824	0.4
231.08000	0.2
233.04361	1.4
233.09552	0.1
235.05707	0.1
235.07568	1.3
235.09764	0.1
236.08319	0.7
237.05447	0.2
237.09045	0.5
238.06183	0.7
239.03346	0.8
239.06941	0.3
240.07741	0.3
241.04845	0.1
242.01942	0.1
243.02832	0.1
245.04222	0.4
246.06836	0.1
247.02229	0.1
247.07497	0.6
248.08035	0.1
249.03926	0.3
249.09059	0.3
250.06241	0.3
250.09871	0.2
251.06976	4.4
252.07742	8.0
253.04912	0.1
253.08473	1.1
254.05704	0.2
255.02829	0.4
255.06364	0.2
256.03690	0.1
257.04367	2.0
257.06879	0.1
257.09518	0.1
260.08243	0.1
261.03967	0.2
261.09009	0.5
261.14740	0.1
262.06235	0.1
263.06961	5.2
264.07724	2.3
265.04959	0.4
265.08542	2.4
266.05698	0.7
266.08728	0.1
267.03217	0.1
267.06433	1.8
268.07217	1.0
269.08124	0.1
270.05219	0.1
271.07571	0.1
273.05933	0.1
273.08981	0.4
274.06302	0.1
274.09906	0.2
275.07159	1.2
275.10217	0.1
276.07736	0.9
277.05591	0.2
277.08530	5.0
278.05710	8.9
278.09189	1.4
279.06470	23.9
279.09952	2.2
280.07202	8.1
281.08008	8.7
282.08392	0.2
283.06046	0.2
285.03842	1.3
285.08914	0.2
287.06961	0.3
287.10098	0.1
288.07742	1.0
289.08493	1.8
290.09256	0.5
291.06448	29.3
292.07202	17.5
293.07974	4.3
293.11536	0.3
294.04987	0.1
294.08612	0.2
295.05960	0.2
295.09558	0.1
296.06671	0.3
297.07495	3.2
298.08096	0.1
300.07962	0.1
301.08472	0.8
302.09253	1.0
303.06424	4.1
303.10080	1.3
304.07230	2.5
304.10162	0.1
305.04935	0.2
305.08002	8.5
306.05298	0.8
306.08762	11.9
307.05945	2.5
307.09552	4.7
308.06683	0.2
308.10065	0.2
309.07486	100.0
310.07822	3.3
310.11517	0.1
313.08530	1.1
314.09125	0.1
315.06390	0.4
315.10135	0.4
316.07230	0.6
317.08002	3.1
318.08789	0.7
319.05951	0.5
319.09595	1.1
320.06693	1.9
320.10406	0.8
321.07501	38.8
322.07919	1.2
323.05405	0.5
323.09091	1.5
325.07007	0.2
328.07202	0.1
329.07996	1.2
330.08774	0.9
331.06161	0.2
331.09546	4.7
332.06699	0.4
332.09744	0.1
333.07474	3.0
334.08240	0.9
335.05649	1.1
335.09042	26.6
336.05804	0.2
336.09384	1.0
337.06903	0.9
338.07755	0.2
339.04855	0.1
339.08514	0.6
341.07983	1.6
344.06641	0.6
345.07544	1.5
346.08276	0.3
347.09042	1.8
348.09778	0.1
349.06979	0.6
349.10623	7.8
350.07254	0.1
350.11044	0.2
351.08554	3.5
357.07446	0.9
358.08228	1.2
359.09058	5.3
360.09354	0.2
361.06943	1.0
362.07660	0.3
363.08533	53.9
364.08865	2.0
369.07446	1.5
370.07626	0.1
375.08545	12.3
376.08917	0.6
377.10089	1.9
379.08212	0.4
381.09537	0.3
385.10822	0.4
386.07697	0.1
387.08536	17.2
388.08990	0.7
393.09598	12.2
394.10162	0.5
405.09589	15.9
406.09866	0.5
409.12689	0.1
413.10028	0.2
423.10657	17.0
424.10974	0.7
441.11728	29.5
442.12195	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.0918
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29703	24.8
67.22246	26.0
69.09230	26.6
71.09123	67.3
71.09483	31.1
75.73067	25.1
98.21066	59.7
98.91934	76.9
116.47723	29.2
202.35976	29.2
223.29018	25.4
236.52969	26.5
237.02768	77.6
255.03865	75.9
279.03918	44.3
298.60648	33.7
399.07593	34.0
441.08841	45.0
441.14563	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1005
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96545	1.6
70.06597	8.5
70.89841	4.5
72.26936	1.7
84.04487	1.7
84.08135	4.9
93.91949	1.5
98.97554	2.3
110.07195	2.0
117.03350	2.6
122.07006	1.5
126.53188	1.5
127.28535	1.6
132.63997	1.4
145.02817	6.7
147.04422	1.9
177.01747	1.6
177.05440	9.4
192.03931	14.2
193.04742	6.1
227.05240	3.0
261.02924	2.5
271.04153	2.5
290.99344	3.2
355.09982	3.8
387.15063	1.7
397.11029	34.5
398.11420	2.2
409.07416	2.0
423.08997	2.8
441.10034	100.0
442.10410	3.9
451.66879	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.3837
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.6
55.01867	1.1
55.05505	4.5
56.05022	1.1
57.03425	1.0
57.07066	0.6
57.29829	0.5
58.06593	7.1
58.99579	2.8
61.02901	0.7
65.03948	0.7
67.05499	9.9
69.03426	1.4
69.07071	3.1
70.06583	7.5
70.64490	1.1
70.64855	1.2
71.04984	1.2
72.08146	100.0
73.08472	0.9
75.09264	0.7
76.07632	10.8
77.04001	0.6
79.05480	11.1
80.05021	0.7
81.03400	1.0
81.06558	0.7
81.07044	12.3
82.06583	0.7
83.08604	2.1
84.04465	0.9
84.08135	7.6
85.02894	1.7
85.06538	1.5
86.09698	5.4
86.99030	1.7
87.02721	0.5
91.05464	8.3
93.07034	12.3
95.01279	0.6
95.04961	2.2
95.08601	8.0
97.02882	1.5
97.06509	1.2
97.10158	0.9
98.06026	1.3
99.06821	1.3
99.08076	1.0
101.28354	0.6
105.00072	2.5
105.03352	0.5
105.07011	9.0
105.88223	0.6
107.08582	7.0
108.08119	1.1
109.06493	0.6
109.10146	3.4
110.09652	1.1
111.08095	0.6
112.07580	4.2
112.11227	5.9
116.07101	1.3
117.07018	2.5
119.04979	0.6
119.08575	6.4
120.08105	1.2
121.06514	0.9
121.10137	4.7
123.08071	1.3
123.19765	0.5
125.09660	0.6
126.09154	1.3
127.03954	0.6
127.07540	1.2
129.07027	1.1
129.10251	1.1
129.13913	0.8
130.12265	0.6
131.08533	4.1
133.10106	5.0
134.09576	0.8
135.07988	0.8
135.11658	2.5
136.06184	5.3
137.05922	0.8
137.09579	0.8
143.08496	0.7
145.10075	3.4
146.16467	1.1
147.04411	1.8
147.11653	3.3
148.07555	1.5
149.09599	0.9
149.13249	1.0
151.03931	0.8
151.11189	0.7
154.04991	1.2
157.10120	0.8
157.12245	0.6
159.11693	2.3
161.13264	1.8
163.11165	0.6
165.09071	3.0
171.11761	0.5
173.06175	0.9
173.13228	1.1
175.14850	1.3
177.04240	0.8
184.07361	2.2
185.16455	0.5
187.14754	1.0
192.06526	6.4
192.69048	0.5
194.56693	0.5
199.14821	0.7
213.15990	0.9
218.07965	0.7
223.02382	0.5
228.08736	0.8
235.16953	1.3
239.13765	0.5
256.24854	0.5
257.15063	1.0
259.20578	0.6
266.10202	1.3
268.11810	0.8
274.21634	1.3
290.03470	0.6
290.24835	3.0
294.11453	0.6
296.06064	0.8
309.07471	0.8
316.26346	12.8
321.07492	1.1
333.28931	2.8
334.27356	51.6
335.27704	1.9
351.29984	8.1
378.22870	0.9
387.33499	0.7
397.18555	0.6
404.36288	1.0
405.34708	44.2
406.34949	2.1
422.37372	76.1
423.11166	0.7
423.36761	4.5
440.10773	1.0
440.17288	8.7
440.22870	9.8
440.38330	7.8
441.17514	2.2
441.22452	1.1
441.38910	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.358
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	4.5
56.96560	1.2
57.03436	1.0
57.07072	51.6
59.04996	19.2
67.05509	2.6
69.07056	4.9
71.08628	100.0
72.08167	1.6
79.05457	1.5
81.07049	3.4
81.20824	1.2
83.08615	2.2
85.10177	58.8
87.04463	2.9
89.06027	56.1
91.05451	2.5
95.04988	1.2
95.08602	1.1
97.10153	1.4
103.07585	4.1
105.07023	1.2
107.07063	2.3
109.10136	1.9
121.10127	1.1
127.14832	7.9
130.08620	1.8
133.08601	53.9
134.08958	1.4
145.10146	1.1
147.11774	1.5
165.09180	1.5
175.09567	1.6
177.11227	11.5
177.92453	1.1
185.18996	9.8
186.25157	1.0
221.13908	5.3
229.21637	3.7
239.14885	26.3
239.18617	1.2
283.17548	5.4
297.19046	2.0
411.82840	1.3
423.33099	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.3579
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	4.2
57.06801	1.7
57.07071	26.5
58.25397	1.1
67.05490	2.9
68.05017	1.4
69.07055	3.2
71.08257	1.8
71.08627	30.9
71.72797	1.4
73.06559	6.8
77.81215	1.2
79.05470	2.5
81.07027	3.7
83.08607	4.6
85.10178	27.5
87.04436	3.0
89.06026	100.0
91.05505	1.2
93.07036	2.1
95.08604	1.9
97.10152	1.9
99.11729	2.0
103.57943	1.3
107.07052	2.9
117.09116	3.2
118.84107	1.1
130.08641	3.6
133.08603	45.8
133.10103	1.8
141.06538	1.2
141.16382	2.5
145.10081	1.1
159.22528	1.1
177.11201	19.9
185.18999	3.3
195.12027	1.4
221.13805	1.5
229.21638	9.6
230.11337	4.9
239.14821	3.5
273.24106	3.0
283.17505	16.4
290.62271	1.2
314.27737	1.5
391.99713	1.2
423.33188	18.6
424.33438	2.2
440.31448	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.3002
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	1.3
55.01847	1.6
55.05510	8.5
56.05022	0.8
57.03408	1.6
57.07037	0.9
61.02916	0.8
62.63238	0.9
63.26908	0.9
66.30676	0.7
67.05499	14.4
68.05015	3.2
69.05786	1.9
69.07065	4.5
69.59659	2.0
69.60069	5.3
70.06584	22.3
71.04984	49.7
72.08149	5.0
76.03974	0.9
79.05488	10.8
81.03380	2.1
81.07044	15.9
82.06538	1.4
83.04987	1.5
83.07347	4.5
83.08617	6.1
84.03997	1.6
84.04490	21.3
84.08120	3.7
85.02884	1.9
85.06510	1.6
89.06011	1.2
91.05476	10.2
92.05775	3.0
93.07026	7.4
95.04955	18.7
95.08590	8.7
96.08099	1.0
96.08935	1.0
97.06534	1.7
97.10173	4.9
98.05956	1.2
102.05538	6.5
105.07015	9.5
107.04925	2.2
107.08585	8.2
109.06488	2.1
109.10135	7.0
111.08047	1.0
113.09629	46.5
114.05493	2.9
116.07066	12.9
117.07001	2.8
119.08564	8.4
121.06454	1.9
121.10110	3.1
123.08041	1.7
123.11691	1.7
125.09610	3.8
126.09176	1.1
129.06969	1.4
129.83447	0.8
130.04994	10.9
130.08638	1.8
131.08549	6.0
133.06548	1.0
133.10118	4.6
135.08012	1.6
135.11661	2.2
137.09418	1.2
143.08476	1.4
145.10103	5.7
147.07971	1.3
147.11635	3.5
148.06038	10.6
148.12004	1.0
149.09584	6.4
149.13213	1.7
150.09088	1.0
154.08658	1.2
155.08501	1.1
157.10110	1.7
159.11644	2.8
163.11150	5.2
165.09102	1.9
169.10112	1.4
173.11781	1.2
173.13222	1.9
180.33549	0.9
183.11734	1.0
189.11218	3.1
197.13275	1.6
205.12134	1.0
223.13272	15.0
226.18118	1.2
236.16446	9.0
239.17970	1.4
254.17479	100.0
255.17781	2.8
257.18982	2.3
264.19385	1.3
268.19098	1.6
273.84042	1.0
275.19965	12.6
277.21536	1.7
280.01382	1.0
292.18991	1.3
293.21060	6.0
296.18506	2.2
310.20081	16.3
314.19568	69.4
315.19974	3.2
360.22299	3.2
405.34924	0.9
419.61319	0.8
422.28665	3.4
422.37543	1.4
440.25549	4.8
440.34674	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	440.2766
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43555	1.6
55.05503	1.9
57.03423	3.8
57.07065	24.4
59.04980	2.3
62.06077	20.4
67.05506	4.2
69.07055	4.1
71.08616	13.0
71.42521	4.3
72.08145	8.1
74.49986	1.7
81.07034	7.9
83.08595	4.3
85.10159	6.2
95.08609	6.5
98.21298	2.3
98.98451	6.1
102.93877	1.6
109.10117	3.8
115.47311	1.7
119.02028	1.8
119.67540	1.8
121.10067	1.9
130.04784	2.2
155.01012	5.3
157.15932	1.6
183.91125	2.0
216.06346	2.2
239.25854	2.4
268.26260	9.5
299.25769	100.0
300.26083	5.7
379.22452	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	440.2792
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	2.5
51.50490	2.2
55.05499	20.3
57.03423	3.1
57.07054	6.1
59.04984	6.0
65.03927	3.3
67.05502	33.7
67.34529	2.3
68.05019	15.3
68.05805	2.4
69.03419	10.9
69.07062	17.0
70.06583	69.1
70.26708	4.9
70.27099	6.4
71.04975	20.4
71.92242	2.5
72.08132	8.1
79.05482	30.8
80.04995	7.7
80.05785	4.0
81.03399	9.5
81.07044	52.6
82.06566	3.9
82.07345	2.9
83.04955	11.0
83.08625	13.1
84.04492	23.1
84.08144	20.6
85.02882	6.6
85.06525	9.4
85.28581	2.6
86.91699	2.5
87.04461	3.9
89.05984	2.9
91.05462	36.0
92.05797	4.6
93.07037	39.2
94.07364	4.0
95.04967	13.9
95.08597	30.1
96.08111	16.2
96.08801	3.1
97.06506	9.8
97.10140	6.5
98.05996	4.1
99.04445	4.9
100.07602	21.2
102.05516	3.5
105.06326	4.6
105.07018	63.5
106.06546	4.9
106.07294	3.4
107.04951	3.4
107.08578	26.9
108.08099	21.0
108.08862	5.5
109.02854	6.2
109.06523	15.6
109.10141	23.6
110.09670	4.3
110.10438	3.8
111.08113	4.2
113.09636	9.8
114.05538	13.3
115.05410	3.1
116.07066	11.4
117.07025	17.4
119.08565	47.1
120.08066	10.6
120.08862	5.0
121.06493	6.1
121.10152	16.8
122.09660	5.8
122.10458	3.0
123.08064	10.6
123.11726	7.5
125.05992	3.5
125.09626	6.7
126.09157	3.1
128.06178	5.7
128.07051	43.4
129.06975	10.3
130.04984	8.4
130.07643	3.5
131.04970	2.9
131.08559	25.7
132.08044	4.0
133.06447	3.4
133.10088	24.4
134.09589	6.1
134.10484	5.1
135.08017	7.2
135.11639	13.0
137.09587	9.1
139.03445	2.5
141.06938	5.5
142.07753	7.0
143.08583	20.5
145.06409	4.1
145.10107	40.0
146.09561	5.3
147.08054	13.2
147.11639	15.7
148.06017	14.7
148.11180	8.4
149.09608	8.6
149.13239	5.3
150.09891	2.9
151.07524	5.4
151.11148	3.2
153.06969	3.0
154.07454	3.8
154.08627	67.1
155.08572	9.9
155.10632	6.1
156.09283	7.2
157.08965	4.4
157.10109	21.3
158.10857	3.6
159.08006	6.2
159.11691	15.7
160.11171	5.8
161.09599	3.8
161.13286	6.5
162.12724	5.0
163.11171	8.4
164.07088	4.0
165.09100	50.4
166.09538	3.0
167.08522	4.0
168.09204	3.2
169.10136	14.2
170.10947	2.8
171.11642	20.4
172.11108	6.1
173.13260	7.9
174.12694	6.0
175.11172	9.0
179.08589	3.7
181.10092	6.3
182.10922	2.8
183.11671	10.0
184.11188	3.5
185.13239	4.5
186.12715	5.4
187.03889	5.4
188.14323	7.6
192.10182	2.7
193.10162	3.7
194.11790	22.7
195.11737	7.2
197.13222	8.2
198.13632	3.2
199.11188	4.3
199.14865	5.2
203.14296	7.6
206.11774	2.9
209.13272	7.3
211.14813	3.5
213.12807	3.6
216.10271	2.7
218.11742	5.3
220.13313	5.5
221.13321	5.4
221.15341	37.5
223.13095	4.0
223.14943	4.9
225.16492	2.8
227.06973	3.2
229.08667	6.2
232.13312	15.1
235.14975	3.3
241.08551	2.7
260.16312	3.7
260.20831	5.2
261.21948	3.2
272.16394	3.2
275.19989	5.4
291.20966	3.6
299.20047	22.5
300.20203	3.7
309.22034	3.1
312.23050	2.5
327.23083	8.8
334.27158	3.0
348.21780	5.2
360.21747	10.2
365.72974	2.7
367.18900	4.1
378.27756	6.2
396.28955	30.9
397.29083	3.0
404.24997	2.6
422.26767	6.6
422.37357	3.4
440.27844	100.0
441.23239	12.2
441.28946	5.5
441.33600	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.2641
Annotation	Parsonsine
Peak:m/z	Relative Intensity
53.90684	0.7
55.01853	1.2
55.05502	6.1
56.05012	1.0
56.65107	0.9
57.03419	1.8
59.26698	0.7
60.54504	0.8
67.05501	7.1
68.04994	2.8
69.03423	1.7
69.07046	3.8
69.70145	6.6
70.06585	20.7
71.04989	1.9
72.08147	4.4
74.39913	0.8
79.05492	9.1
80.04998	3.4
81.03400	2.4
81.07058	8.4
82.06584	1.7
83.04969	1.8
83.08600	4.6
84.04498	8.6
84.08138	2.8
85.02898	11.1
85.06536	1.9
86.09687	1.8
91.05476	8.2
93.05777	1.6
93.07008	5.7
94.06554	3.4
95.04956	2.1
95.07320	1.6
95.08593	6.8
96.08109	1.3
97.02888	1.4
97.06480	2.1
97.10155	4.4
98.06012	1.2
98.09696	1.0
100.11211	1.1
102.05552	1.1
104.10727	3.0
105.07029	6.3
107.08597	8.5
108.08107	27.3
109.06508	1.3
109.08920	1.1
109.10155	3.4
110.09672	2.9
111.08128	1.3
114.05511	3.3
116.07079	17.3
117.07005	3.2
119.08576	17.7
119.50362	0.9
120.08076	1.5
121.10104	4.1
122.09651	6.9
122.10352	0.8
123.10439	2.9
125.09626	3.9
126.09132	1.0
128.07054	1.8
129.06969	1.7
130.04950	1.5
131.08540	2.7
133.10132	4.6
134.09637	2.1
134.17238	0.9
135.08020	1.0
135.11746	1.8
136.07635	0.8
136.11209	5.1
137.09633	1.5
140.07018	1.0
142.07695	1.1
142.08644	1.7
143.08534	2.3
145.10100	2.3
147.11685	1.6
148.11206	1.4
150.12761	5.9
154.04994	1.7
154.08623	5.5
157.10118	2.0
159.08023	7.0
159.11681	1.5
162.05501	0.9
169.10187	1.4
171.11691	1.7
174.12756	0.9
177.12610	1.1
180.10216	2.6
183.11749	1.0
184.07326	3.7
189.11191	2.6
192.10161	0.8
194.11681	1.1
195.12555	7.0
196.13342	11.6
197.13329	1.3
204.13837	2.0
208.13290	1.6
210.07571	1.5
218.15413	3.1
222.14876	3.8
225.12769	1.0
233.15356	2.1
236.16498	4.7
238.10669	1.7
246.18509	7.8
248.20096	2.4
250.17967	2.1
264.19553	20.3
265.20285	3.0
266.21027	5.0
271.17029	2.6
289.18106	1.5
299.05469	0.9
321.07367	0.8
330.20422	1.5
334.27310	1.0
348.21695	1.5
350.23392	3.6
378.22781	12.0
378.27295	1.9
396.23767	100.0
397.24033	4.1
398.25302	2.7
405.34698	1.3
422.25339	19.5
422.37418	2.8
423.25653	1.1
440.10007	2.1
440.26462	87.4
441.26666	3.4
441.33801	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.2642
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19003	1.1
53.15535	1.0
55.01857	0.9
55.05504	9.5
56.05025	1.4
57.03424	1.5
67.05496	7.9
68.05013	3.4
69.03413	2.4
69.07067	5.4
69.69090	2.0
69.69491	6.3
70.06583	21.7
71.65466	0.9
72.08147	6.0
73.09132	0.9
78.79617	0.9
79.05486	8.9
80.05015	3.2
81.03391	1.5
81.07055	8.4
82.06581	1.9
83.04955	2.1
83.08625	5.6
84.04493	7.9
84.08132	1.6
85.02894	11.5
85.06551	1.0
86.09678	3.1
91.05457	7.8
93.07036	8.9
94.06548	3.5
95.04967	2.3
95.07328	1.6
95.08604	7.3
96.08147	1.7
97.06541	1.2
97.10156	5.7
98.06044	1.5
100.07624	2.3
102.05546	1.7
104.10747	2.6
105.06992	6.0
106.06550	1.7
107.08588	10.5
108.08112	31.7
109.06494	1.3
109.08933	1.9
109.10146	3.2
110.09669	2.9
111.04416	0.8
114.05528	4.0
116.07076	20.2
117.07006	3.1
119.04983	0.9
119.08566	19.5
120.08083	2.1
120.75940	0.8
121.06468	1.4
121.10117	5.9
122.09661	8.2
123.10448	3.9
124.99977	1.1
125.09614	5.0
128.07054	1.8
129.07011	1.5
130.05038	1.7
131.08545	3.7
133.10109	4.2
134.09665	1.8
135.08017	2.0
136.07547	1.2
136.11206	4.3
137.09615	1.9
142.08649	2.3
143.08592	1.4
145.10123	1.7
147.08055	1.4
147.11665	1.9
149.09575	2.8
150.12770	5.4
151.07521	1.2
154.04948	1.3
154.08592	3.4
155.08524	0.9
157.10120	2.5
159.08032	6.4
160.11169	1.6
166.12360	0.9
169.10072	1.0
176.07135	0.9
180.10255	2.6
182.15419	1.6
184.07381	2.5
189.11229	3.8
194.11766	1.8
195.12573	6.9
196.13319	12.2
204.13863	1.2
208.09692	1.0
208.13379	2.7
210.07626	2.4
210.73741	1.0
218.15404	4.0
222.14891	3.3
225.16257	1.2
233.15422	1.4
236.16415	5.0
238.10751	1.2
240.12445	1.6
246.14882	1.2
246.18463	7.1
248.20062	4.7
250.17940	1.7
264.19583	23.1
265.20380	2.9
266.21140	4.7
271.16931	2.6
275.20132	1.0
289.18100	1.0
299.05511	1.0
311.05859	1.1
334.27454	1.5
350.23206	2.8
378.22754	12.5
380.28427	1.3
394.21964	1.1
396.23785	100.0
397.23996	4.6
398.25375	3.9
405.34790	2.1
422.09116	1.5
422.25397	18.1
422.30554	1.5
422.37344	2.7
440.10440	2.1
440.26471	93.2
441.26547	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	440.2637
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.0
55.01854	1.8
55.05501	9.3
56.05025	3.9
57.03432	0.5
65.03942	0.6
66.57580	0.5
67.05493	13.8
69.03423	1.5
69.07054	5.3
70.06582	7.4
71.04978	1.7
71.54907	1.2
72.08150	1.6
79.05484	10.4
80.05819	0.8
81.03393	1.4
81.07046	13.7
83.04968	2.5
83.08617	7.9
84.04493	100.0
85.02891	2.9
85.06544	0.7
91.05467	13.0
92.05789	1.6
93.07030	10.1
95.04955	17.2
95.08596	8.3
97.06528	2.5
97.10168	3.2
99.08089	0.6
102.05528	34.5
105.07010	9.4
107.04958	3.2
107.08569	8.3
109.06540	3.7
109.10138	5.0
111.08069	2.5
116.07068	1.4
117.06989	3.5
119.08572	7.4
121.06493	2.1
121.10127	5.0
123.08046	2.6
123.11692	1.3
125.09642	3.0
129.06996	1.9
130.04984	54.6
131.03435	0.9
131.08539	5.8
132.20258	0.8
133.10101	6.3
135.08066	2.1
135.11665	3.1
137.09631	0.9
141.06999	0.9
143.08533	1.5
145.10110	6.5
147.08025	1.7
147.11699	5.0
148.06024	76.5
148.11981	1.2
149.02379	0.6
149.06424	1.0
149.09589	8.7
149.10655	0.7
149.13235	1.3
151.07532	0.6
151.11198	1.3
151.14816	0.6
155.08533	1.3
157.10121	1.2
159.10527	0.6
159.11589	2.9
160.12016	0.7
161.09642	0.7
161.13258	1.3
161.56352	0.6
163.11163	10.2
165.12822	0.8
167.10802	0.6
169.10126	1.4
171.11726	1.7
173.09602	1.3
173.13272	1.4
175.11133	1.1
175.14873	0.8
177.12688	0.9
183.11731	1.1
187.11166	0.9
187.14970	0.6
189.11243	2.6
197.13266	1.1
205.12392	1.4
223.13248	12.7
229.19467	1.4
233.15318	0.7
239.18018	1.9
254.17487	8.1
257.19067	3.6
275.20023	17.3
275.23007	0.9
276.20291	0.7
293.21085	10.4
314.19547	4.9
360.22540	1.9
364.00430	0.6
370.66080	0.6
390.03909	0.6
422.25638	0.7
440.26620	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	440.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12121	0.2
55.01871	0.3
57.03437	0.3
61.02923	0.3
65.03937	0.4
69.03412	2.2
69.41840	1.0
69.42268	1.4
70.06574	0.5
72.04510	2.7
73.02902	0.5
81.03416	1.5
82.06526	0.2
85.02895	3.2
87.00822	0.5
88.35092	0.3
91.05462	4.3
93.07040	0.4
97.02863	0.7
99.04448	0.4
105.01856	0.5
107.04961	0.3
109.02850	1.8
110.65572	0.2
119.04930	13.4
120.05216	0.3
120.08083	0.3
121.06488	7.8
121.93973	0.2
127.03901	2.6
128.07060	0.4
130.13623	0.2
141.99394	0.2
145.04926	0.8
147.04388	100.0
148.04749	2.0
150.09132	0.2
159.02846	0.6
187.32726	0.2
189.05350	0.3
192.10173	59.4
193.10521	1.4
226.54649	0.5
231.04523	0.3
231.06644	3.2
234.11258	0.3
241.26709	0.2
255.06421	0.4
273.07526	0.8
309.57895	0.2
354.15326	0.4
377.08350	0.2
395.09518	1.6
413.10675	1.5
440.15381	1.6
440.30698	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.2635
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	0.5
55.01859	0.9
55.05507	3.2
56.05031	5.0
57.03425	0.5
62.80777	0.3
63.11665	0.3
67.05493	7.1
68.05835	0.3
68.54066	0.3
69.03423	0.6
69.07063	3.4
69.99290	1.8
70.06589	0.7
71.04971	1.0
72.08158	0.6
79.05483	5.9
81.03395	1.0
81.07047	17.3
83.04964	1.0
83.08617	2.7
84.04493	100.0
85.02905	0.5
85.04813	1.0
85.06530	0.6
91.05468	6.0
93.07032	4.9
95.04961	2.0
95.08589	5.7
95.09190	0.4
97.06519	1.3
97.10159	0.7
98.20772	0.4
99.08038	0.6
102.05529	7.3
105.07020	5.9
107.04963	1.8
107.08594	3.4
109.06506	3.7
109.10139	2.3
111.08073	0.9
111.85140	0.3
117.06989	1.2
119.08569	5.7
121.06511	1.2
121.10127	2.9
123.08049	1.2
123.11697	1.9
125.09638	0.4
129.06984	0.6
130.04985	74.5
131.05298	0.7
131.08546	2.5
133.10103	2.9
135.08052	1.2
135.11705	1.4
137.09612	0.9
141.07022	0.3
143.08488	0.5
145.10095	2.5
147.08122	0.4
147.11658	4.8
148.06017	6.5
149.09593	1.4
149.13284	1.3
151.11134	0.6
157.10098	1.1
159.11687	1.9
161.13251	0.6
163.11118	1.6
165.09077	0.7
165.12758	1.5
169.10129	0.3
171.11743	0.5
173.09538	0.5
173.13264	1.0
175.11166	0.7
175.14861	0.4
177.12671	0.5
182.12564	0.3
183.11647	0.5
185.13086	0.3
193.12265	1.1
201.12746	0.5
215.18060	0.3
223.13161	0.4
229.19441	0.5
236.16626	0.3
239.18016	0.6
247.20596	0.5
254.17488	3.0
257.18997	2.3
275.20029	19.2
276.20529	0.7
293.21063	6.2
293.24118	0.5
294.21472	0.4
314.19562	2.1
367.03549	0.3
373.63068	0.3
376.24747	1.2
377.96082	0.3
394.25848	3.8
395.26297	0.3
404.24567	0.4
440.26431	13.5
441.27005	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.1476
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72266	1.0
55.01869	1.1
56.05035	1.1
57.03427	2.8
58.03733	1.0
58.99588	6.9
61.01159	1.0
61.02922	10.4
66.74559	0.9
67.05516	1.2
69.03423	3.3
70.06590	16.0
70.26397	4.6
72.08150	15.4
73.02917	2.6
73.20017	1.2
76.02223	10.3
79.05489	1.1
81.03400	1.5
81.07082	1.2
82.06588	1.2
84.04491	7.7
84.08141	13.2
85.02898	12.6
86.03243	1.3
86.09705	5.9
86.99062	2.8
91.03950	8.3
91.05461	2.3
94.06578	1.6
97.02870	7.6
100.02184	8.7
105.00091	3.3
105.07022	1.6
105.07801	1.0
105.83695	1.1
109.02867	2.1
110.07178	2.0
112.06858	1.0
112.08707	1.4
112.11256	1.3
113.48939	0.9
115.08665	1.2
116.07090	1.4
119.04948	2.9
120.05249	1.0
120.08128	2.6
121.02847	6.8
122.03165	2.2
122.06030	1.4
127.03907	1.7
129.10210	1.8
130.05019	1.7
135.04387	1.3
135.09178	5.7
136.07570	3.5
137.06158	1.2
138.05521	1.5
145.04970	1.3
146.02693	10.2
147.04407	1.5
150.05486	1.5
152.05307	1.3
160.07538	1.2
162.09277	0.9
163.03886	1.5
168.08127	0.9
170.09637	2.7
172.07635	2.7
174.09210	1.3
175.08612	5.3
177.03271	1.1
178.03326	1.2
179.03502	1.0
184.07458	1.2
185.03749	1.0
186.09122	3.6
187.12277	1.4
188.03792	3.1
188.62611	1.2
189.01826	1.4
189.10277	2.9
190.02142	1.5
195.02885	1.3
196.07570	4.6
198.09258	6.6
200.07089	2.4
200.10710	1.2
207.02870	3.4
208.03256	1.1
210.09082	1.4
211.08571	1.2
212.10797	2.1
213.10213	11.8
213.12090	1.8
214.08659	5.5
214.10771	1.4
215.08025	2.2
215.11757	5.9
217.09740	5.7
226.07285	1.5
227.08125	2.3
227.11790	3.2
231.04375	2.0
231.11226	1.9
235.10721	9.3
240.08958	4.6
241.09689	37.6
242.04715	2.5
242.08124	5.3
242.10275	2.6
243.11305	22.0
254.06276	2.6
254.10555	3.9
255.11290	6.6
256.11017	1.6
257.12888	1.8
258.12372	15.3
259.08002	2.2
259.10742	31.1
260.09186	2.0
269.07764	1.3
271.13202	2.8
273.12292	2.2
277.12051	1.2
280.06830	2.0
283.10748	8.6
284.09225	2.2
284.13776	1.8
285.12268	12.5
286.09528	4.2
288.06793	1.3
294.08362	1.7
295.05966	4.8
296.06320	9.2
297.07053	2.5
298.07965	2.2
299.08429	5.1
300.11053	1.9
301.11798	32.6
302.09991	2.3
303.13385	3.8
307.06021	3.4
308.06363	11.3
309.07205	4.9
309.10876	1.5
317.09930	1.0
317.13657	25.0
318.12503	5.3
319.12848	7.9
320.06638	1.5
320.10449	1.3
322.07941	5.4
323.08716	3.5
324.05869	2.4
325.06931	8.0
326.07364	21.5
334.08038	1.4
337.06754	1.5
338.07425	3.9
341.05969	1.3
348.09622	2.0
350.07355	2.2
352.09039	4.4
360.13745	4.0
362.07501	1.5
362.11563	10.4
363.09906	5.2
364.08948	1.6
366.10626	9.2
376.09119	3.6
378.14728	2.5
380.08566	2.3
392.08530	8.7
394.10098	1.5
404.08273	6.0
404.12775	24.0
405.11197	9.8
410.09366	2.7
422.09564	7.3
422.13858	100.0
423.12296	11.6
440.10535	25.7
441.10599	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.3566
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	6.5
55.05482	13.5
57.07058	19.4
59.04992	5.1
67.05495	40.5
69.07048	16.3
69.46643	4.4
70.30220	19.7
71.08614	9.0
77.87821	4.0
79.05488	24.3
81.07049	52.9
81.48078	3.6
83.08591	7.2
85.10197	8.4
89.06002	14.4
91.05486	38.8
93.07038	64.7
95.04948	6.7
95.07998	7.8
95.08590	100.0
97.10161	5.1
105.07021	63.4
107.08592	59.6
109.10150	60.2
110.00011	4.7
111.08073	20.8
113.09612	5.2
115.05431	4.6
117.07011	16.4
119.08561	58.9
121.10155	34.8
123.08047	5.6
123.11644	10.3
129.06929	4.6
131.08580	33.2
133.08585	7.4
133.10135	40.5
135.11664	25.4
143.08566	11.5
144.09283	5.4
145.10106	68.3
147.11668	36.2
149.13234	18.9
157.10098	14.5
159.11682	42.7
161.13277	49.8
163.11119	6.0
163.14807	7.5
171.11662	17.3
173.13246	19.6
175.14798	18.6
177.12816	4.6
177.16313	9.3
181.82272	4.1
183.11728	4.2
185.13228	11.9
187.14796	26.9
189.16383	19.5
191.14368	5.4
193.15936	6.1
199.14848	11.9
201.16396	40.1
203.17877	6.3
205.15948	7.2
213.16499	5.0
215.17972	11.9
217.15706	5.9
219.17439	33.5
229.19530	5.1
231.17418	6.0
233.18895	6.9
245.19011	6.2
295.24045	7.6
313.25095	11.7
315.26599	4.9
335.27109	7.2
381.31229	6.3
417.60120	5.8
421.34732	37.9
439.35864	48.4
440.36191	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	439.3566
Annotation	Calocedimer A
Peak:m/z	Relative Intensity
55.05502	7.7
57.07059	6.0
59.04993	3.2
59.55848	1.6
67.05499	32.2
69.07055	13.2
69.77775	6.9
69.78215	5.5
71.04955	1.5
71.08616	2.3
76.16747	1.6
79.05484	12.4
81.07044	34.5
83.04970	8.3
83.08612	5.6
85.06518	1.9
89.99559	1.5
91.05463	19.4
93.07034	27.6
95.04965	2.6
95.08600	45.0
97.06554	2.3
97.10141	3.0
98.21432	1.9
99.69872	1.4
105.07023	31.0
107.08583	30.3
109.06487	2.8
109.10145	100.0
110.10485	2.4
111.08074	3.5
113.09607	1.4
116.39419	1.5
117.06987	4.4
119.08569	25.6
121.10133	23.1
123.08033	2.4
123.11678	6.2
125.09681	2.4
125.26705	1.5
128.74136	1.7
129.06993	4.2
130.07726	2.3
131.08534	16.0
131.90277	1.6
133.10114	29.8
135.08040	2.5
135.11656	16.1
137.09641	2.1
137.13232	2.0
142.07788	1.6
142.14355	1.5
142.87106	1.5
143.08577	3.8
145.10114	18.1
147.11659	15.6
149.09598	2.3
149.13199	11.2
155.08521	2.4
157.10097	5.4
159.11691	19.1
161.09628	3.5
161.13246	14.7
163.11211	3.6
163.14825	6.0
169.10043	3.3
171.11664	5.4
173.13234	11.7
175.11220	2.9
175.14792	14.7
177.12692	5.0
183.11713	4.9
185.13329	4.9
187.14854	6.7
189.16393	11.3
191.14313	5.2
191.17819	2.3
193.15935	2.7
197.13275	2.6
199.14853	6.2
201.16365	9.6
203.14330	4.5
203.17923	3.6
205.15869	2.4
213.16408	2.7
215.17955	6.6
217.15932	13.6
217.19498	2.1
219.17436	10.0
225.16287	2.7
227.17949	2.7
229.19513	3.4
231.17371	3.5
233.18918	3.5
241.19409	2.5
243.17560	1.8
247.20575	2.9
255.21230	2.3
257.18951	2.2
269.18958	2.6
287.20105	2.1
287.38525	2.0
295.24100	3.8
311.23602	3.2
313.25186	15.5
347.57300	1.8
403.33517	1.9
421.34525	20.1
439.35718	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	439.2801
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19705	0.5
55.05507	1.7
56.05032	1.5
59.64216	0.6
59.70308	0.6
67.05499	3.5
68.05027	1.7
69.03409	1.3
69.07057	1.8
69.15625	0.5
69.81902	1.3
69.82320	2.4
70.06583	1.7
71.05031	0.7
72.08147	1.7
74.10915	0.6
79.05482	3.1
80.05011	2.0
81.03401	0.8
81.07059	4.6
82.06586	0.9
83.08607	1.3
84.04505	9.4
84.08125	1.1
85.02900	11.2
86.06070	5.1
86.09731	1.0
91.05491	2.8
93.05790	0.6
93.07030	3.4
95.01324	1.4
95.04966	0.9
95.08619	2.8
96.08144	1.4
97.02888	0.7
97.10184	0.7
98.06046	1.2
102.05536	4.5
105.07013	2.7
106.06550	0.9
107.08610	4.0
108.08113	32.9
109.06503	0.7
109.10167	2.5
110.09665	3.9
111.00706	0.6
111.08073	0.7
112.04022	1.3
117.06980	0.6
119.08591	2.2
121.10112	2.8
122.09654	4.0
123.10436	1.8
124.11217	1.7
130.04996	42.5
131.08551	0.9
133.10121	9.2
134.06027	0.7
134.09662	2.1
135.11676	1.1
136.11223	1.8
137.09621	4.5
138.12799	0.6
143.08571	0.8
145.10110	0.9
147.11685	1.3
149.09708	0.7
149.13245	0.8
158.71786	0.5
159.11626	0.9
162.05508	0.7
173.13397	0.6
184.07344	3.0
191.14371	2.6
204.13820	6.0
206.15384	0.6
218.15395	1.0
222.14914	10.0
236.16476	1.2
246.18542	3.7
248.16516	1.0
248.17249	1.0
248.20071	9.4
249.18478	1.0
264.19568	9.1
266.21155	67.6
267.21530	2.4
268.22757	1.2
292.22751	2.4
304.22769	0.6
310.23740	15.2
318.42508	0.7
327.34317	0.7
336.21625	0.7
337.82190	0.6
349.24774	3.2
350.23135	3.4
351.26526	0.8
360.21698	1.3
376.67587	0.6
377.24442	1.2
378.22791	7.5
385.44867	0.6
395.25391	44.8
396.25339	1.1
421.26892	2.1
422.25311	3.6
439.15939	3.4
439.28085	100.0
439.33878	7.9
440.28384	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	439.2801
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.9
55.01851	1.4
55.05495	4.0
56.05025	1.7
59.70744	0.9
67.05480	4.4
68.05006	3.6
69.03415	3.1
69.07056	2.9
70.00047	2.7
70.00460	2.5
70.06564	1.7
72.08131	3.9
79.05475	4.6
80.05009	2.0
81.03405	0.9
81.07047	6.8
82.06568	1.6
83.04990	1.0
83.08627	1.3
84.04495	11.9
84.08147	1.7
85.02902	13.4
85.06543	1.1
86.06039	4.8
87.04474	1.1
91.05476	4.1
93.05781	1.5
93.07027	5.8
94.06584	2.0
95.04956	2.4
95.08593	4.1
96.08100	3.0
97.06464	1.0
97.10205	1.0
98.06013	1.3
98.09651	1.8
98.20695	1.5
102.05524	6.1
105.07024	4.8
107.04948	1.0
107.08586	8.2
108.08102	22.5
108.37136	0.8
109.02885	1.5
109.06508	1.8
109.10157	4.1
110.00310	0.9
110.09666	3.9
111.04417	1.0
112.04025	1.4
114.05513	1.1
117.07018	1.6
119.08567	3.9
120.08120	1.3
121.02872	1.4
121.08845	0.9
121.10090	4.8
122.07341	1.1
122.09653	4.9
123.10428	1.0
124.11230	2.8
130.04987	49.1
131.08557	1.9
133.10106	25.6
134.09628	2.1
134.10510	1.3
135.08018	1.4
135.11644	1.9
136.11200	4.0
137.02312	1.3
137.09613	14.6
138.12755	2.4
145.10094	1.8
147.08049	1.5
147.11650	2.5
149.09633	2.3
149.13246	2.3
153.47034	0.8
157.10110	1.2
173.13182	1.6
176.14288	1.0
176.68138	1.0
177.12639	0.9
183.02972	1.2
191.14310	10.3
198.14786	0.9
204.13835	16.3
206.15329	1.0
210.11230	1.0
222.14877	27.4
231.08524	1.1
236.16377	2.0
246.18413	6.1
248.16444	2.4
248.20073	13.0
264.19580	11.9
265.20355	1.5
266.21136	75.5
267.21637	1.6
268.22766	3.4
292.22757	4.2
299.05508	3.5
307.06009	1.2
308.06784	1.4
310.23752	19.4
311.23956	1.5
321.07916	1.0
321.13306	1.4
325.06958	2.0
332.22302	1.4
333.26025	1.1
337.07263	2.2
339.05005	2.1
349.06995	1.2
349.12961	1.9
349.24835	3.4
350.23340	3.4
351.26389	1.2
360.21371	1.4
364.12302	1.7
365.12469	7.2
377.06540	2.0
377.24286	2.3
378.06311	1.8
378.22610	7.2
380.24692	1.2
391.65073	0.9
395.25381	100.0
396.25674	4.0
397.26703	1.0
404.07617	2.6
405.05823	1.8
421.09357	1.1
421.26904	1.3
422.08676	8.2
422.25485	2.4
439.10178	2.4
439.16068	13.1
439.28030	92.1
439.33282	3.7
440.09784	4.8
440.15314	1.3
440.28162	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	439.2689
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38278	1.2
53.03932	5.7
55.01855	3.3
55.05506	21.7
57.03431	9.5
57.07060	3.2
59.46270	1.2
65.03931	4.2
65.12527	1.3
65.53532	1.1
67.05499	99.6
68.05839	1.1
69.07052	16.6
70.65339	2.7
70.65732	3.0
71.04989	3.2
78.58606	1.4
79.05486	42.7
81.07048	100.0
83.04976	2.2
83.08611	12.7
85.06550	3.6
87.00824	6.0
91.05464	28.1
93.07035	50.6
95.04955	5.6
95.08600	84.0
96.08918	1.2
97.06512	6.1
97.10153	4.4
99.08069	2.1
105.01850	4.6
105.04523	1.6
105.07024	18.1
107.08591	26.3
109.06497	2.8
109.10148	30.0
111.08063	3.7
117.07002	5.1
119.08575	14.8
121.10136	27.9
123.08056	3.0
123.11701	9.6
125.09650	2.2
129.05418	1.3
129.06998	1.4
131.08548	12.2
133.10124	12.2
135.11681	21.8
137.13216	3.6
138.63091	1.5
143.03389	5.9
145.10126	10.3
147.11673	11.2
149.13261	10.8
151.11205	1.5
151.14751	1.5
159.11696	7.9
161.04449	2.4
161.13248	9.9
163.11148	1.5
163.14841	4.1
173.13272	6.4
175.14818	3.9
177.16455	2.4
179.14328	2.6
187.14833	4.5
201.16267	1.8
243.21133	7.0
246.24989	1.3
261.22128	22.9
279.23236	2.2
298.24527	2.0
299.52090	1.3
301.21628	1.9
303.23083	2.7
319.22687	2.7
329.21201	3.5
335.25949	2.9
347.22189	12.5
353.26825	8.1
365.23245	3.3
421.25604	3.6
439.26962	20.1
440.26938	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2687
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.4
54.07494	1.4
55.01864	2.4
55.05510	14.3
57.03424	4.3
57.07061	1.8
65.03940	2.7
67.05499	34.9
69.03422	6.8
69.07066	10.9
69.51080	1.3
71.04968	4.1
71.19782	1.3
79.05485	38.1
81.03407	26.2
81.06578	1.2
81.07050	33.0
83.08598	7.7
85.02898	7.4
85.06562	2.2
91.04920	3.0
91.05473	42.5
93.07039	44.6
95.04964	5.2
95.08594	26.3
97.10160	1.9
98.21457	3.4
99.04455	3.0
99.08079	2.6
103.05428	1.3
105.07021	47.5
105.07729	2.4
107.04997	2.1
107.08588	25.6
109.02866	15.2
109.06520	2.1
109.10149	10.9
111.08054	3.2
113.09593	1.7
117.07002	10.1
119.05014	1.3
119.08568	41.0
121.10133	20.7
123.08101	1.6
123.11694	3.8
125.09635	1.7
127.03934	2.9
129.06946	6.6
131.08575	17.2
133.10123	40.2
135.11684	22.4
141.06946	1.4
143.08551	8.0
145.10114	17.7
147.11671	42.2
149.09627	2.3
149.13254	14.7
151.11223	2.2
157.10124	5.8
159.11644	16.4
161.13240	30.5
163.11116	2.1
163.14833	4.3
171.11717	10.2
173.13280	7.8
175.14821	13.7
181.25052	1.5
185.13228	10.1
187.14787	2.5
189.12706	1.7
193.12305	1.8
199.14893	7.1
203.14258	2.4
213.16463	1.9
231.17413	2.2
231.21036	8.8
241.19492	28.2
257.95776	1.6
259.20560	100.0
260.20901	2.8
277.21585	10.7
421.25769	2.8
439.26816	37.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2685
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.9
55.01837	2.4
55.05263	2.1
55.05503	21.9
55.13998	1.7
56.41610	1.4
57.03429	11.0
57.07064	2.1
58.99271	1.6
59.44398	1.7
65.03920	5.6
67.05493	95.0
67.41711	1.3
69.07063	16.0
71.04974	3.6
71.25234	4.2
79.05482	44.5
81.07044	100.0
83.04954	2.8
83.08605	14.3
85.06541	3.6
87.00798	6.1
91.05467	25.7
93.07029	44.5
95.04940	4.5
95.08591	85.7
97.06509	7.0
97.10136	6.6
99.92776	1.6
105.01795	1.8
105.07021	20.8
107.08569	25.7
107.09251	2.8
109.06498	2.6
109.10143	27.9
111.08064	3.2
115.03911	1.7
117.06989	5.6
117.19450	1.6
119.08553	14.2
121.10119	26.3
123.08031	2.3
123.11714	10.3
131.08560	12.1
133.01666	1.8
133.10112	12.2
135.11685	19.5
137.09554	2.2
137.13197	3.0
143.03368	3.3
145.10117	11.8
147.10622	2.1
147.11652	11.9
149.13261	9.4
159.11731	6.5
161.13228	12.0
163.14815	3.6
165.12831	1.6
169.50572	1.5
173.13210	6.2
175.14742	4.0
179.14264	2.4
187.14783	5.4
191.14232	1.6
192.14854	1.7
213.62970	1.6
243.21028	7.3
261.22058	24.7
279.23276	3.2
311.19913	2.0
329.20972	2.7
335.25790	3.2
347.22086	10.8
353.26849	7.5
365.23087	3.6
421.25638	3.6
439.20740	2.7
439.26926	21.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1962
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43361	0.6
53.03930	0.9
55.01860	1.1
55.05509	4.2
56.05011	0.8
57.03416	1.3
57.07069	1.0
60.45519	0.6
61.02906	1.1
64.79162	0.5
65.03922	0.7
65.89919	0.5
65.94632	0.6
67.05180	0.7
67.05494	6.7
68.04995	1.7
68.99788	0.8
69.03422	7.6
69.07066	4.9
70.06564	1.7
71.04985	1.0
71.73621	1.5
72.08141	2.6
73.86060	0.6
79.05486	9.3
80.04989	2.2
81.03422	3.3
81.07051	9.4
82.06551	1.1
83.04951	3.5
83.08608	1.3
84.04498	8.8
84.08120	1.7
85.02898	13.2
85.06527	0.9
86.06069	5.7
87.00814	0.9
87.04467	0.6
91.05473	8.7
93.05750	1.0
93.07039	8.2
94.06533	1.2
95.01326	1.1
95.04939	4.0
95.08605	6.6
96.08114	2.1
97.02877	1.6
97.06510	1.5
97.10147	1.2
98.06030	1.0
99.04424	0.9
102.05517	5.2
103.05439	0.6
105.01853	0.7
105.07018	11.0
106.06561	0.7
107.04943	4.3
107.08585	20.3
108.08109	27.7
109.02873	1.9
109.06509	3.4
109.08965	0.8
109.10151	8.3
110.09669	3.4
110.91120	0.6
111.04431	1.1
111.08048	1.2
114.05494	1.1
115.05445	2.3
117.07019	2.6
119.08585	6.0
120.08057	1.0
121.02881	0.8
121.06492	2.7
121.10135	14.3
122.07295	6.5
122.09641	3.4
123.08048	2.3
123.10403	0.7
123.11677	0.7
124.11259	0.9
125.06074	0.9
127.03914	2.8
129.07059	0.7
130.04991	43.2
131.04900	0.8
131.08577	4.0
133.10115	100.0
134.09621	2.1
134.10468	2.0
135.08054	6.9
135.11682	2.7
136.08774	0.7
136.11203	2.6
136.73334	0.6
137.09601	52.7
138.09071	1.0
138.12741	0.7
144.09401	0.7
145.10124	2.6
147.11649	4.3
149.09605	5.7
149.13249	8.0
157.10068	1.2
158.10851	2.2
159.11705	1.5
161.06110	0.8
161.09550	0.6
161.13284	0.9
163.14862	2.1
165.09171	1.3
171.11638	0.7
173.13252	6.1
175.07520	0.7
189.12766	1.4
191.14301	35.3
192.14679	0.7
204.13815	9.1
209.09326	0.7
218.15408	1.0
220.20549	0.8
222.14873	11.6
236.16533	1.1
245.15341	0.9
246.16328	0.7
246.18465	3.4
248.16460	1.6
248.20059	9.2
249.18391	0.9
264.19556	8.6
265.20273	0.8
266.21140	59.3
292.22702	2.2
304.22864	1.2
307.05862	1.3
310.11005	0.7
310.23724	13.0
315.10144	0.6
317.17352	0.8
332.03326	0.6
332.22086	0.8
337.07196	0.8
347.38953	0.9
349.24899	2.2
350.23175	3.5
360.21799	0.8
377.24484	0.9
378.22806	6.0
393.10193	0.7
395.25363	50.0
397.26813	0.6
421.27148	1.2
422.25269	3.5
438.33713	2.3
439.10190	1.7
439.15601	6.0
439.28094	84.0
439.34045	11.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1573
Annotation	Unknow
Peak:m/z	Relative Intensity
54.96410	0.3
56.04994	0.3
58.69195	0.3
60.04530	0.3
69.07042	0.4
69.92609	0.7
69.93031	1.2
70.06577	2.3
72.08150	1.7
74.06078	0.4
81.03416	0.6
81.11572	0.3
83.01100	1.0
84.04475	0.7
84.08131	2.7
86.09691	2.5
91.05467	0.5
95.01084	2.1
96.01842	0.8
98.98468	0.3
102.05499	0.5
110.07148	1.2
112.01327	0.8
112.08617	0.3
113.02105	3.1
116.07092	0.3
120.08094	1.0
125.04537	0.3
129.10240	0.7
131.04938	0.7
133.46097	0.3
136.07547	0.8
141.05264	0.3
147.04468	0.5
156.07611	0.3
157.04724	0.4
167.03143	0.5
173.12885	0.4
185.04211	4.1
187.03664	0.4
191.03793	0.3
201.03708	1.3
202.06001	3.0
203.05144	0.7
224.05350	0.4
243.08588	0.9
243.90038	0.3
247.67047	0.3
250.06984	0.4
259.07974	0.8
263.60565	0.3
291.87094	0.3
439.15732	100.0
440.16037	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	439.1419
Annotation	Shogasulfonic acid A
Peak:m/z	Relative Intensity
66.73592	0.3
71.68697	0.4
96.92216	17.5
133.03453	0.6
147.04387	0.6
149.68518	0.3
150.04840	0.3
151.04663	0.5
175.04407	0.5
185.04216	1.2
200.92010	0.3
203.05266	2.8
217.05492	0.3
226.35260	0.3
247.04437	0.3
267.68292	0.3
277.08914	27.6
278.09235	0.5
295.08627	0.9
361.04880	0.3
365.10529	9.6
366.10724	0.5
381.07813	3.3
428.14215	0.3
439.14188	100.0
440.14536	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	439.1574
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00138	1.0
53.46532	0.8
55.05503	1.1
56.96553	1.0
57.03424	1.2
58.06598	1.0
60.04507	1.0
67.05503	1.3
69.03402	1.4
70.05758	5.3
70.06580	3.9
72.08131	2.1
73.02903	1.8
81.03417	1.2
82.23300	0.9
84.04477	2.5
84.07710	1.2
84.08132	11.9
85.02887	2.4
86.09692	1.3
86.47548	0.9
87.04443	1.2
91.05455	3.5
97.02876	2.0
99.04459	1.1
101.40296	1.1
119.04902	1.5
120.08084	4.8
121.02845	2.0
123.04422	2.2
127.12274	1.8
128.07068	1.8
130.03288	1.0
134.06117	1.0
136.07571	1.2
147.04393	6.1
149.42641	1.2
152.07051	2.2
162.09157	1.1
167.26436	0.9
176.73558	0.9
223.52478	0.9
259.10861	1.2
277.64621	1.0
295.05820	1.5
307.05872	1.9
325.06949	4.3
391.08136	2.2
439.10599	4.1
439.15744	100.0
439.24207	4.8
440.16147	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	439.1298
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	2.6
55.05496	0.7
56.05011	0.7
56.10762	0.6
56.96532	1.2
57.07064	1.1
59.46664	0.6
60.04521	0.6
61.01141	8.9
67.05489	1.9
69.07045	1.0
70.02946	1.0
70.06584	5.7
71.75133	1.1
72.04498	0.8
72.08139	2.4
73.02912	1.2
78.03791	0.7
79.05496	0.9
81.03409	15.5
81.24683	0.6
84.04480	2.0
84.08131	10.6
85.02904	0.9
85.06521	3.6
86.06072	1.0
86.09683	2.0
88.02213	0.9
91.05459	2.7
91.94955	0.6
95.04959	2.7
96.08086	0.8
98.06028	3.3
98.97578	0.7
98.98441	1.1
99.02649	0.8
99.05503	1.2
100.03947	1.4
102.05550	0.9
107.04922	1.5
110.07173	4.3
112.07578	1.3
113.05989	2.7
115.08682	1.0
120.08099	0.9
124.07585	4.8
125.07072	3.4
126.05493	1.1
127.12300	1.7
129.10239	2.0
130.08620	1.8
136.07532	1.0
141.03676	44.5
141.06551	4.9
142.08611	12.8
146.06046	1.1
147.04401	1.0
156.07675	2.5
157.04314	2.1
160.67320	0.7
166.08630	1.3
168.04788	1.0
175.05482	1.3
177.05511	0.7
183.04141	1.3
184.09706	6.2
187.14510	0.9
211.09019	4.2
212.07413	1.4
227.13850	1.3
239.08440	8.8
242.10738	0.8
245.09615	2.5
305.02692	0.9
323.14130	1.5
341.15268	100.0
342.15585	3.9
439.06290	1.8
439.16098	4.9
439.24292	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	439.0639
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96546	14.0
57.04251	3.3
61.46269	3.7
63.47776	4.4
64.58151	3.4
69.03423	4.7
70.06586	27.9
70.14963	12.5
70.15372	9.6
74.06084	5.2
81.03415	4.7
84.08122	17.8
86.09708	21.5
91.05447	8.0
93.06997	3.6
98.97575	36.6
109.02897	5.9
110.07131	5.0
116.98615	27.4
125.26189	3.4
128.21751	4.4
128.98587	4.8
129.10236	3.8
134.99649	19.2
143.00143	4.4
153.00697	4.9
158.99602	7.3
161.01212	7.6
177.00676	13.6
179.00137	13.8
184.72083	3.9
197.01222	24.1
201.00653	10.2
203.02188	5.9
209.01189	14.3
211.14468	6.8
219.01782	17.8
227.02284	58.1
232.12735	4.2
233.77602	3.8
237.02777	12.4
239.49600	4.0
245.03311	6.1
261.02795	8.8
269.03256	8.8
305.03061	5.4
321.02927	4.1
323.04791	6.8
326.20737	4.1
327.75748	4.6
335.04355	6.0
339.03702	4.7
353.05496	25.1
371.06268	6.9
377.05383	9.9
395.07257	18.1
398.08661	4.0
439.06168	100.0
439.15344	7.5
439.24673	8.1
440.06073	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1205
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	0.6
60.04501	0.5
69.70879	3.8
70.06589	4.2
71.92524	0.5
72.51580	0.5
81.03426	0.6
81.07050	0.7
84.04495	1.2
84.08150	2.7
85.02921	0.7
86.09689	2.3
91.05466	0.6
100.11234	0.9
110.07153	0.6
120.08121	1.4
127.12285	0.7
129.10246	0.9
142.12260	0.6
154.12346	0.8
166.08659	0.5
175.03703	1.1
190.05998	12.9
191.06802	13.7
191.08476	1.0
192.10081	0.5
203.07153	0.6
212.05246	1.0
227.05203	2.1
228.16048	0.6
230.06354	0.6
266.54568	0.6
269.08679	0.6
271.04242	3.0
281.13257	0.6
335.10931	0.7
353.12103	5.9
365.12201	0.6
377.12103	1.4
395.13129	41.3
396.13229	1.5
439.12082	100.0
440.12415	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	438.9801
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	2.3
55.93518	11.1
56.94292	3.0
56.96556	3.7
68.64838	2.2
70.95856	51.6
71.73898	2.6
71.92989	6.3
72.93777	71.6
76.11157	2.1
81.03432	3.1
86.77426	1.9
88.96895	33.6
89.94043	3.5
90.94814	82.9
98.97582	2.9
101.37181	1.9
106.97939	3.7
108.95855	34.9
112.96886	4.3
113.96416	3.6
119.01910	5.7
125.96118	4.4
126.98392	2.6
128.96304	3.1
128.99971	15.7
130.97893	63.0
131.97433	3.2
132.95816	50.3
134.97363	2.3
140.96301	3.0
144.95856	2.7
145.03487	4.0
146.97406	3.0
147.00993	7.3
148.97775	4.6
148.98955	73.1
149.96083	4.2
150.96875	100.0
155.97412	3.2
156.95874	7.1
156.99477	3.1
157.97656	2.3
158.97391	73.0
158.98692	4.5
160.95287	16.3
161.01266	2.7
162.97009	3.0
163.04576	2.4
167.97163	2.2
168.97920	5.5
172.00504	6.3
172.98952	7.6
174.96887	23.3
176.98448	69.8
177.00745	2.7
178.96378	21.8
181.99091	3.5
182.97380	2.5
184.95323	4.9
189.02066	6.0
190.99957	10.0
191.97032	4.5
192.97914	20.5
199.00508	36.8
200.98425	15.7
201.02232	2.3
202.96382	35.3
204.94278	2.6
215.00023	13.2
216.98059	3.1
217.01607	17.9
218.99496	9.7
220.97395	19.7
224.98428	7.1
227.00009	20.2
228.94405	3.4
228.97931	9.4
233.01135	5.0
234.99033	2.3
237.93935	2.2
240.03166	3.7
242.00951	2.3
242.99570	23.5
243.99049	3.2
244.97392	14.6
245.01057	6.0
246.95370	14.4
252.97928	7.8
261.00604	14.5
261.64056	2.0
262.98447	8.0
264.96414	33.8
268.97473	4.5
270.98956	15.1
272.96744	5.3
277.08871	2.3
282.97452	3.1
284.01935	2.4
286.98514	8.6
287.97971	5.5
289.00055	6.4
296.96942	3.1
304.99512	23.5
306.97464	13.2
312.01611	2.2
314.97940	10.2
316.95990	2.4
317.13785	2.0
330.97101	4.2
332.98929	10.8
334.96976	12.8
340.95901	2.9
358.96967	5.7
361.02466	2.4
376.98117	4.1
384.94812	2.7
402.95871	6.6
420.97031	13.7
438.97992	2.7
439.14182	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	438.3361
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.2
55.01860	0.4
55.05507	1.2
57.03422	0.4
61.02910	0.3
65.03924	0.2
67.05502	2.3
68.05824	0.3
69.03414	0.7
69.07062	0.9
69.18249	0.2
69.70494	0.2
69.70845	1.5
70.06593	0.4
71.04968	0.4
72.08144	0.5
73.02888	0.3
79.05476	1.5
80.05807	0.3
81.03428	0.8
81.07047	2.6
82.07378	0.6
83.04960	0.3
83.08613	0.7
84.04481	0.6
84.08134	0.3
85.02903	0.6
89.06032	0.2
91.05473	10.8
92.05808	0.7
93.07031	1.3
94.07330	0.2
95.04967	0.6
95.08573	1.3
97.02875	0.5
97.06496	0.3
97.10156	0.5
105.07023	1.4
106.06551	3.6
106.07294	0.5
107.04975	0.3
107.08588	1.0
108.08144	0.3
109.02894	0.3
109.06499	0.6
109.10134	1.0
111.08049	0.3
111.95713	0.2
115.03915	0.2
116.04850	0.2
116.07078	0.2
117.07011	0.3
119.08546	1.2
120.08880	0.2
121.06487	0.3
121.10139	0.5
123.08035	0.3
123.11718	0.3
125.09604	0.4
127.03930	0.2
129.07048	0.3
131.08606	0.9
131.62439	0.2
133.10124	0.7
135.11671	0.2
137.05893	0.2
143.08585	0.3
145.06415	0.3
145.10127	0.7
146.10384	0.2
147.11671	0.7
148.06142	0.3
149.09656	0.3
149.13229	0.2
150.09131	22.5
151.09473	0.3
157.10078	0.3
159.11673	0.3
161.09679	0.2
161.13203	0.2
165.09102	0.2
171.08058	0.2
171.11725	0.4
173.13219	0.3
176.10735	0.3
185.13322	0.2
189.11224	0.3
226.10851	2.8
258.19232	0.3
275.20169	0.4
276.20502	0.9
293.17151	0.2
359.22144	0.4
364.26318	0.3
367.22693	0.2
388.83820	0.2
394.30963	1.6
406.31116	0.3
408.23633	0.3
408.28949	3.8
420.24463	0.4
438.25153	4.9
438.33652	100.0
439.26086	0.6
439.33972	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	438.336
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.2
55.05498	1.0
56.96551	0.2
57.03423	0.3
59.04979	0.2
66.46725	0.2
67.05499	1.7
69.03407	0.5
69.07059	1.0
70.06584	0.6
71.04979	0.5
71.73464	0.3
79.05477	1.1
81.03403	0.8
81.07045	1.5
83.08598	0.6
84.08105	0.2
85.02871	0.4
91.05477	3.8
93.07027	1.5
95.04926	0.4
95.08579	1.0
97.02881	0.2
97.10156	0.6
99.04421	0.3
105.07028	1.3
106.06549	1.9
106.07246	0.4
107.04926	0.5
107.08578	0.8
109.06505	0.4
109.10118	1.0
111.08064	0.3
117.06983	0.3
119.08561	0.6
120.08097	0.4
121.06518	0.2
121.10143	0.6
125.09657	0.3
129.06990	0.2
131.08554	0.9
133.10117	0.6
135.11711	0.3
137.08371	0.6
137.09581	0.3
141.09718	0.2
145.10083	0.7
147.11650	0.5
149.09590	0.3
150.09123	4.6
150.10265	0.3
157.10107	0.4
159.11725	0.4
161.13364	0.3
164.10643	0.3
165.09151	0.4
166.01268	0.2
171.11685	0.2
175.11099	0.2
185.13280	0.3
189.11247	0.4
193.12340	0.2
213.24818	0.2
226.10812	0.8
233.15436	0.2
275.20224	0.3
276.20447	0.3
359.22083	0.6
367.22784	0.3
394.30957	5.6
406.30835	0.2
408.29025	0.7
420.32565	0.5
422.30453	0.3
438.33633	100.0
439.27594	0.4
439.33942	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	438.2495
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95013	0.2
55.05500	0.8
57.07056	0.6
65.03934	3.0
65.84706	0.3
67.05495	1.4
69.07070	0.6
70.06571	0.6
70.87299	0.5
70.87671	0.5
71.05001	0.2
79.05482	1.1
81.03394	0.3
81.07055	1.9
82.07390	0.3
83.08607	0.4
87.04459	0.5
88.07622	0.5
91.05469	100.0
92.05799	2.0
93.07028	1.1
95.08598	0.8
102.09174	0.5
105.07020	0.4
107.08588	0.9
109.10164	0.5
117.06972	0.3
119.08556	0.3
121.10159	0.4
126.83431	0.2
131.08578	0.3
134.09630	1.3
136.06177	0.7
147.11662	0.3
147.26598	0.2
148.06158	2.8
149.02307	1.5
193.04944	1.4
209.08301	0.4
220.13281	3.1
226.10847	31.0
227.11166	0.8
228.23186	1.6
237.07498	1.9
359.22375	0.3
376.21371	0.5
394.22040	0.7
420.24023	1.6
438.24902	56.7
438.34161	2.4
439.25238	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	438.2846
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07068	5.2
58.06599	1.0
59.06297	0.8
65.03936	1.7
67.05483	1.7
70.00136	4.7
70.06586	17.7
71.08618	1.7
75.95482	0.7
81.07078	1.7
84.08136	1.0
88.07619	18.6
91.05454	2.2
92.87025	0.8
98.20721	0.9
102.09171	15.2
111.52361	0.8
119.56636	0.9
120.08071	1.6
121.02881	1.3
129.86752	0.8
133.42133	0.8
139.03908	2.1
149.02332	54.3
149.03398	3.7
150.02600	0.9
172.10745	1.0
184.20607	0.9
193.04956	54.6
194.05411	1.0
200.38588	0.8
227.54448	0.8
228.23210	52.4
229.23558	1.5
231.19882	0.8
237.07555	67.4
238.07910	0.9
274.14584	1.0
438.28513	100.0
439.28714	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	438.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.6
54.30283	1.3
55.01865	3.6
55.05493	2.8
57.03432	2.0
57.65454	1.2
59.04987	2.4
61.02913	1.9
67.05495	5.7
69.03428	8.8
69.07069	4.8
69.77458	6.5
69.77869	2.3
70.06592	2.8
71.04970	1.4
71.08625	47.5
72.08147	2.4
73.02921	2.4
79.05477	3.1
81.03426	8.6
81.07045	5.1
83.04941	1.4
83.08610	1.4
84.04492	2.1
84.08157	2.1
85.02904	18.1
85.06564	1.8
87.00816	7.5
91.03942	3.2
91.05470	4.9
93.07030	4.1
95.08589	4.8
97.02879	9.7
98.20715	2.9
99.04434	3.0
99.08083	100.0
100.08401	1.8
105.01839	6.8
105.07049	3.4
107.08594	2.6
109.02876	7.6
109.10155	3.5
117.01836	1.6
119.08555	3.3
121.10132	1.5
127.03904	10.8
129.12737	14.3
130.05038	2.9
131.08546	2.2
133.10010	1.4
135.08023	1.4
145.04933	4.9
145.10149	2.0
147.11694	1.6
149.09634	1.6
155.14304	3.1
159.02939	3.3
159.11703	1.4
165.09126	2.8
173.15363	71.9
174.15814	1.5
231.05022	2.4
275.20135	2.0
353.15811	2.4
356.60379	1.8
357.20569	1.3
439.22751	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.2333
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	2.3
55.01868	3.8
55.05508	8.1
57.03402	2.2
57.07069	1.9
59.04994	2.8
61.02921	3.5
67.05496	8.1
68.05050	2.1
69.03426	11.1
69.07059	10.0
70.05273	7.7
70.06590	12.3
71.04984	2.3
71.08622	44.1
72.08132	5.0
73.02899	3.1
79.05483	5.6
81.03416	10.2
81.07047	15.3
83.04979	2.6
83.08602	4.9
84.04479	1.9
84.08131	4.2
85.02897	18.5
86.09679	2.2
87.00816	7.4
91.05462	7.1
93.07043	9.4
95.04956	4.1
95.08588	9.6
97.02880	6.1
97.06499	2.6
97.10166	4.1
99.04423	2.0
99.08083	100.0
102.05527	2.9
105.01863	3.6
105.07036	7.8
107.08572	7.8
108.08928	1.9
109.02855	7.2
109.06534	2.0
109.10147	6.9
116.07066	4.3
117.07002	2.7
119.08572	8.6
120.08125	2.3
120.08955	2.4
121.10115	6.6
123.08087	2.2
123.11691	3.9
125.09618	3.2
127.03911	9.3
129.06993	1.9
129.12749	12.1
131.08537	2.6
133.10092	3.9
135.08035	2.9
135.11682	4.6
137.05949	2.0
137.09616	3.0
145.04936	4.3
145.10094	5.6
147.11690	3.9
149.09657	3.0
149.13199	3.5
155.14273	4.7
157.10138	2.2
159.11716	2.3
165.09099	9.2
173.13220	2.2
173.15359	57.1
174.15703	2.3
175.14737	2.4
177.12698	2.9
187.15149	1.7
203.10648	2.0
212.49409	1.6
238.67841	1.6
250.10715	2.0
313.11890	3.8
356.22351	2.4
374.23340	3.8
420.19257	2.4
438.21054	5.5
438.28964	2.6
438.34103	3.9
439.23157	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.1542
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85850	1.4
55.01851	3.9
56.05040	9.5
57.03425	4.6
58.99580	16.1
61.01139	2.9
61.16683	1.3
65.03928	2.0
67.05483	2.7
68.05006	6.8
69.03416	3.0
69.07043	3.2
70.02939	7.0
70.06590	7.2
70.85688	3.3
71.04980	3.6
72.04507	7.4
72.08130	3.0
74.00657	12.0
76.02228	22.3
76.04010	7.2
79.05461	1.9
80.04990	5.7
81.03390	2.8
82.06576	1.7
83.01371	1.7
83.06089	5.7
84.04498	96.2
84.08128	5.1
85.00620	1.8
85.01128	33.3
85.02884	6.9
85.04021	4.1
86.00159	2.6
86.00647	34.7
86.99043	69.7
87.69371	1.4
88.02198	4.5
89.00632	3.8
91.05461	2.6
95.04975	3.7
96.04462	2.5
96.08110	1.6
97.01087	4.6
97.02879	1.7
97.06517	12.8
98.00639	2.6
98.06010	2.2
99.02670	3.4
99.05540	3.2
100.02197	5.3
102.00072	1.5
102.03752	21.6
102.05542	15.9
108.04489	3.9
109.07642	5.4
110.07160	1.9
112.02180	32.7
112.03938	3.5
112.07581	1.8
114.03761	12.6
114.05515	4.6
116.01677	25.4
116.07040	1.9
117.03664	1.9
121.02859	2.0
122.06012	2.1
124.02166	2.0
125.94923	1.5
126.03731	2.9
127.02115	5.1
128.05257	2.7
129.01190	1.6
129.06577	5.6
130.03229	17.8
130.04990	32.1
132.01118	3.7
134.06029	1.5
136.07504	2.2
137.08331	5.8
140.01628	4.9
141.12236	1.3
142.03195	25.3
143.02718	32.8
143.04427	2.6
144.01122	6.9
144.04811	4.0
145.06081	4.3
147.04451	1.7
153.06570	3.8
155.08139	6.7
156.06535	2.0
158.02702	7.8
162.02190	11.6
168.04781	2.8
169.04265	8.8
170.02754	2.5
170.06317	7.3
171.02202	8.1
172.07904	2.0
177.03288	5.4
179.04813	10.2
181.06102	3.7
184.05913	1.6
188.03677	4.3
188.07384	5.6
189.03278	100.0
196.04219	9.1
199.07135	2.6
205.06396	8.7
206.08446	5.5
206.70273	1.6
215.04836	46.3
217.06342	10.6
224.03828	4.5
231.04442	2.1
232.05034	2.2
233.05846	14.8
241.06480	3.0
257.04675	1.7
257.09625	2.9
259.07416	2.0
269.05942	2.0
273.08945	2.0
287.06927	20.6
291.10022	29.3
325.07010	3.9
345.07529	2.6
362.10107	5.6
363.12512	3.4
391.08032	2.4
420.14084	2.1
438.09262	3.4
438.15259	6.3
439.09897	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	438.1537
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63319	1.4
53.16983	1.4
55.01862	3.4
58.99581	4.6
67.05499	4.8
69.03402	1.5
70.02929	2.4
70.06584	6.1
71.04987	14.4
71.73952	2.0
74.00660	28.9
75.73933	1.6
76.02216	11.4
76.03987	4.8
83.06087	2.7
84.04493	21.3
84.08140	3.0
85.01128	2.6
85.02921	3.3
85.04024	18.5
86.00593	1.8
86.99049	6.1
91.05481	2.2
92.01704	5.9
95.04969	5.6
97.02847	1.4
99.05587	1.9
102.05506	2.0
110.07154	3.4
111.04488	1.5
112.02200	2.1
112.03955	5.3
113.03497	5.8
113.06005	24.6
116.01665	13.6
116.96269	1.4
119.04920	3.6
125.04227	2.2
125.32194	1.4
128.05289	2.2
129.06595	5.0
130.04993	24.1
130.46210	1.6
131.04509	14.3
142.03247	4.3
143.05289	2.1
144.01135	6.0
145.06090	5.6
147.04427	6.7
160.00598	5.0
162.02170	24.5
170.06360	2.8
177.03281	100.0
179.04808	10.3
181.06055	2.4
185.03792	3.1
188.07390	10.3
189.03297	2.9
189.05838	4.5
199.07272	1.6
206.08426	7.6
231.04320	4.1
231.07959	2.3
233.05861	2.4
256.06387	6.7
273.08908	1.8
274.07391	3.5
291.10043	16.4
292.08261	3.5
306.07507	3.4
309.11099	8.6
315.42395	1.7
345.11072	2.7
362.61349	1.5
363.12180	9.8
420.14169	3.2
438.15677	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	438.1496
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	9.3
55.01860	9.4
55.05511	6.9
56.05024	3.7
57.03423	9.9
59.57710	3.4
61.02929	8.5
68.99789	7.1
69.03412	33.0
70.06581	17.0
70.39629	15.3
71.04971	10.3
72.08138	3.8
73.02901	10.1
75.70565	3.3
79.05470	4.2
81.03403	40.9
84.08126	6.7
85.02892	100.0
86.09702	12.1
87.00818	62.7
91.05466	4.0
97.02881	46.3
99.04464	18.9
100.11246	13.0
101.11567	4.7
102.96883	3.4
105.01847	78.1
105.02510	5.8
106.06526	8.2
107.04919	10.1
108.04449	7.7
109.02870	42.1
110.06067	3.6
110.07179	4.6
112.23056	3.3
115.03931	6.9
116.04969	28.7
120.08059	6.6
124.03945	6.7
127.03899	84.9
129.01836	5.6
130.06531	34.7
131.06004	8.5
132.04466	7.8
133.05151	4.4
136.03961	6.7
136.07584	6.4
139.03799	6.1
143.03410	5.4
145.04939	55.9
145.07538	7.0
146.05992	4.0
155.05966	6.4
159.02832	29.3
164.07063	4.9
166.05017	6.1
167.03406	6.0
172.08719	9.0
173.07153	25.3
179.14394	3.6
182.15366	3.6
184.06049	16.4
190.09790	8.0
191.08192	6.4
211.15224	4.3
213.04002	5.9
215.08101	6.8
219.04999	4.3
228.64014	4.0
231.04977	23.4
237.14359	13.9
237.64464	7.2
238.14661	8.8
239.13828	4.1
246.14804	22.3
246.65082	25.8
247.04581	4.3
247.15208	33.1
247.65242	6.7
248.14519	13.4
254.99933	8.0
274.05472	8.0
288.07114	5.3
292.22968	3.5
348.47144	3.6
411.16760	3.7
438.15387	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	437.2658
Annotation	1-Oleoyl Lysophosphatidic Acid (sodium salt)
Peak:m/z	Relative Intensity
55.05503	20.7
57.03420	6.5
57.07067	7.4
58.99102	3.1
67.05489	14.5
69.07057	24.2
70.18003	12.7
79.05472	8.5
81.07043	27.0
83.08603	20.4
85.10156	4.7
89.05992	3.5
93.07021	9.9
95.08577	26.0
97.10139	7.7
98.98459	78.5
105.07063	3.9
107.08560	4.5
109.10153	10.8
111.11729	4.3
121.10110	9.8
123.11695	4.4
127.04222	3.1
135.11681	8.8
155.01010	29.1
173.02084	10.3
208.07701	3.7
211.67642	3.4
247.24115	5.5
265.25238	13.1
298.67014	4.5
339.28888	100.0
340.29141	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	437.3472
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	3.9
57.07071	98.5
59.05000	19.6
63.05828	1.2
65.27693	1.2
67.05482	4.6
67.20669	1.3
69.03445	1.9
69.07056	5.0
69.99812	5.0
71.04981	1.5
71.08624	100.0
73.06509	1.4
78.32056	1.4
79.05484	2.7
81.03424	1.6
81.07046	5.4
83.04967	1.6
83.08612	3.7
85.10175	88.1
87.04470	3.6
89.06024	76.4
91.05463	3.5
92.43370	1.3
93.07024	4.6
95.08620	2.4
97.10143	2.3
99.11710	7.1
103.07572	6.4
105.07005	3.8
107.07111	1.7
107.08590	2.7
109.06546	2.2
109.10152	4.4
117.06961	1.4
119.08571	2.3
121.10152	2.7
122.37351	1.3
123.08015	4.0
130.08632	1.6
131.08516	1.9
133.08601	52.3
133.10146	4.3
135.11714	2.4
141.16396	2.5
143.08549	2.8
143.36737	1.5
145.10129	2.7
157.10199	1.8
177.11255	6.8
179.14211	1.4
199.20601	3.5
221.13876	1.7
239.14877	12.4
243.23260	2.0
275.20056	2.7
437.33328	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	437.2531
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36125	1.0
53.03925	2.7
55.01847	2.3
55.05507	13.5
57.03421	3.4
57.07066	3.7
65.03928	2.9
67.01842	2.4
67.05498	89.8
68.17255	1.0
69.03412	3.9
69.07059	12.0
71.04970	1.6
71.24156	2.9
77.70969	1.0
79.05017	1.8
79.05483	36.8
81.03400	2.4
81.07045	100.0
82.07362	1.7
83.01325	1.1
83.04954	2.7
83.08614	9.4
85.02888	11.0
85.06522	3.3
87.00852	1.0
91.05464	22.2
93.07030	48.3
95.00711	2.4
95.01318	46.3
95.04947	3.6
95.08592	77.8
96.08955	1.8
97.02869	4.5
97.06519	3.2
97.10152	3.6
99.08030	1.5
105.07014	19.4
107.08578	30.4
109.06489	2.6
109.10143	48.4
111.00790	1.7
111.08047	1.7
113.02335	3.6
117.06997	7.4
118.99096	1.0
119.08569	15.9
121.10132	25.5
123.08045	3.2
123.11695	23.9
125.09616	2.3
129.01822	6.9
131.08562	18.4
133.10136	13.1
135.08034	1.4
135.11674	18.5
137.09590	4.2
137.13242	11.0
139.11240	1.6
139.14665	1.0
140.20622	1.2
141.01814	28.7
143.08502	1.1
145.10100	17.4
147.11664	11.0
149.09612	2.6
149.13226	14.7
151.11198	5.2
151.14763	3.6
152.09258	1.3
153.12708	1.6
157.10112	1.4
159.02907	1.5
159.11685	12.8
161.13234	10.1
163.11174	3.1
163.14825	8.5
165.12747	1.8
171.11655	1.6
171.74637	1.1
173.13243	10.2
175.14758	2.7
177.03937	20.3
177.12714	3.2
177.16353	4.5
179.14220	3.6
187.14796	9.9
191.14265	3.8
201.16359	3.8
205.15866	2.2
213.12711	1.1
215.17937	1.6
219.17474	1.8
219.21004	1.5
226.80389	1.1
233.22636	1.7
243.21045	22.0
261.22116	47.7
262.22345	1.4
275.19998	4.1
344.54456	1.1
381.18997	1.9
419.24133	1.7
437.25308	30.8
437.33908	3.9
438.25577	1.3
464.82788	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.2529
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79497	1.3
53.03924	5.7
55.01864	6.6
55.05501	19.2
57.03416	4.5
57.07048	1.7
59.04976	1.4
65.03919	2.3
67.05138	1.8
67.05496	32.7
69.03416	17.4
69.07056	17.5
70.06572	3.5
71.01331	1.7
71.04965	4.7
71.75282	1.7
72.08142	2.5
73.02897	2.9
76.15430	1.3
79.05478	29.7
81.03406	20.1
81.07045	50.1
83.04973	9.5
83.08622	9.0
83.59229	1.1
84.04496	1.3
85.02892	11.0
85.06538	3.4
87.04478	1.5
91.05462	47.0
93.07031	28.1
95.04951	13.9
95.08589	27.6
97.02872	16.5
97.06534	7.6
97.10145	5.3
99.04443	4.9
99.08101	2.4
100.07222	1.3
103.05449	1.8
105.07014	37.0
106.06541	2.7
107.04932	7.2
107.08577	20.8
109.02876	7.9
109.06493	13.7
109.10139	15.0
111.04430	4.8
111.08060	4.0
112.80571	1.4
115.03891	1.8
115.05447	1.8
116.01598	1.6
117.07008	10.3
119.08559	22.7
121.05660	1.4
121.06476	7.3
121.10126	14.0
123.04466	1.4
123.08035	7.2
123.11704	6.3
125.05936	2.3
125.09608	1.8
127.03915	10.4
128.06186	4.0
129.05444	3.1
129.06963	5.9
131.04860	1.4
131.08557	14.3
133.06459	3.7
133.10110	24.4
135.08009	4.6
135.11681	8.6
137.05954	2.6
137.09566	3.0
139.07529	2.0
141.07025	1.9
142.07765	1.3
143.08563	6.8
145.06473	2.7
145.10080	15.0
147.04388	1.5
147.08037	7.1
147.11671	14.0
147.84299	1.4
149.09610	6.9
149.13248	3.6
150.09109	25.0
151.11089	1.5
153.12553	1.4
155.08514	3.7
157.06509	2.6
157.10109	7.6
159.08037	3.9
159.11671	11.9
161.05923	2.2
161.09587	4.9
161.13220	4.4
162.02155	2.4
162.24730	1.2
163.11206	7.4
165.05453	1.4
165.06886	1.4
165.09093	3.4
165.12691	3.2
169.10094	3.5
171.08052	3.1
171.11635	7.2
173.09622	4.9
173.13208	5.4
175.11203	4.9
175.14803	3.3
177.12704	3.3
183.11670	3.5
184.16663	1.3
185.09616	1.7
185.13249	3.2
187.11142	3.0
187.14752	2.0
189.12755	3.1
191.14264	2.0
195.21828	1.2
197.13196	1.8
198.88861	1.3
199.11223	1.3
199.14731	1.8
201.12701	1.9
201.16293	2.2
203.10660	2.3
205.12206	1.3
213.12764	1.6
213.16420	4.1
217.15675	1.5
219.13881	2.8
226.10793	6.0
229.19548	1.5
231.17372	2.6
235.05840	2.3
239.18079	3.2
246.15204	1.5
247.20494	3.4
255.17284	1.9
257.18991	6.1
259.20233	1.4
263.20169	1.7
273.18451	3.1
275.20013	37.1
276.20456	2.2
287.20004	2.6
291.19266	1.8
293.21060	4.6
305.21109	1.4
317.21179	1.6
329.20987	3.6
345.13184	3.0
355.22522	1.6
359.22192	1.7
383.22092	4.9
394.31076	1.8
401.23181	2.5
408.29016	3.5
419.24106	4.9
437.25400	23.7
437.30392	2.1
438.24973	10.1
438.33615	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.253
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	3.1
55.01870	4.4
55.05507	10.0
57.03415	3.4
57.07066	1.6
66.31174	0.9
67.05494	17.5
69.03423	8.4
69.07055	11.8
69.48414	2.2
69.48837	6.2
71.04968	3.0
79.05479	15.8
81.03410	13.6
81.06613	1.5
81.07050	22.7
81.07531	1.2
83.01295	0.9
83.04967	6.1
83.08606	4.0
85.02892	24.7
85.06544	1.1
89.71469	0.8
91.05465	18.0
93.07030	20.4
95.04948	7.4
95.08012	1.0
95.08595	16.5
95.92850	0.8
97.02900	9.3
97.06510	3.0
97.10136	2.9
99.04447	2.3
105.06348	1.6
105.07014	20.3
107.04937	5.5
107.08575	14.3
109.02867	9.5
109.06505	9.6
109.10128	6.9
111.08060	1.9
117.07017	6.6
119.08570	14.2
121.06482	9.8
121.10119	7.4
122.77645	0.9
123.08033	4.3
123.11697	1.9
125.06100	0.9
125.09634	1.0
127.03893	20.4
129.06979	2.3
131.08546	13.4
133.06461	2.4
133.10106	13.3
135.08044	5.1
135.11664	5.1
137.05936	0.9
137.09589	1.6
141.06912	1.4
143.08498	3.4
145.06430	2.4
145.07497	0.9
145.10091	11.1
147.08015	3.3
147.11674	9.6
149.09613	5.3
149.13226	3.8
150.09137	2.2
151.11142	4.0
155.08530	2.5
157.10129	3.5
159.08040	4.5
159.11653	6.8
161.09557	3.4
161.13258	3.3
163.11148	5.0
165.12764	1.2
169.10083	1.8
171.11632	1.7
173.09602	3.4
173.13243	5.9
175.11143	2.6
175.14767	1.7
176.14223	1.1
177.09157	1.0
177.12741	2.7
179.10608	0.9
183.11609	2.0
185.13130	0.9
187.11139	2.5
187.14824	1.6
189.12727	1.0
191.14319	1.3
197.13148	2.0
199.14749	0.9
201.12726	3.2
207.13800	2.0
213.16331	1.2
215.17989	1.3
219.13722	2.7
229.19510	2.0
231.17380	1.1
239.17973	4.3
247.20569	2.7
257.18964	14.2
273.18509	0.9
275.20020	100.0
276.20331	5.5
284.12814	1.0
293.21057	13.1
299.20129	0.9
335.22137	2.1
341.21085	1.1
383.21991	1.1
401.23151	1.1
419.24304	6.7
437.24908	18.3
437.32321	18.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.253
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83419	0.8
53.03942	7.3
55.01867	9.7
55.05507	20.1
57.03424	5.3
57.07055	1.6
61.02899	1.2
61.40627	0.9
65.03925	2.6
66.92501	0.9
67.05496	39.5
68.05841	1.2
69.03422	18.0
69.07063	25.4
70.06578	1.6
70.68266	3.1
71.01330	1.2
71.04980	7.1
71.08624	1.0
72.94917	0.9
74.86349	0.9
79.05486	46.2
80.05842	1.1
81.03409	41.6
81.07047	100.0
82.07386	1.1
83.04975	8.6
83.08612	12.4
84.08125	1.1
85.02892	16.3
85.06516	3.3
87.04439	1.6
88.07632	1.2
91.05469	49.5
91.28918	1.1
93.07034	32.3
95.01315	1.9
95.04957	18.6
95.08592	28.3
95.09200	1.4
97.02878	10.3
97.06519	11.6
97.10161	3.7
99.04417	6.1
99.08102	3.1
103.03992	1.3
103.05448	2.3
105.07021	35.1
105.07729	2.2
107.04945	12.6
107.08577	22.2
107.09248	1.8
109.02855	12.4
109.06507	35.4
109.10141	15.3
111.04413	2.3
111.08067	4.3
115.05412	2.1
117.07004	12.0
119.04934	1.5
119.08563	27.4
121.06503	9.9
121.10130	14.3
123.04393	1.8
123.08044	7.6
123.11677	7.1
125.09605	2.3
127.03896	21.7
128.06212	2.0
129.06985	6.5
131.04945	2.3
131.08562	17.2
132.36278	1.2
133.06485	5.2
133.10120	21.3
134.09625	2.3
135.04314	1.1
135.08037	8.3
135.11679	6.4
137.05914	1.3
137.09560	5.2
139.07491	1.9
141.06964	2.3
142.07742	1.4
143.08566	6.5
145.06499	4.5
145.10118	13.4
147.04353	1.5
147.08060	5.7
147.11691	16.8
149.02327	3.5
149.05931	2.3
149.09592	9.4
149.13246	8.7
151.07504	1.8
151.11163	3.3
153.07036	1.3
153.09116	1.2
155.08537	3.4
157.06419	1.1
157.10109	7.0
159.08052	2.2
159.11687	12.7
161.05949	1.7
161.09589	5.0
161.13278	5.4
163.07550	2.3
163.11137	8.3
163.14914	2.8
165.09132	2.0
165.12761	5.3
167.08553	1.1
169.10121	4.2
171.08066	1.7
171.11617	5.1
173.09607	2.5
173.13214	4.8
175.11145	4.2
175.14790	1.4
176.14297	1.2
177.09140	1.9
177.12700	3.3
179.10645	1.1
179.14331	2.6
181.10078	1.3
183.11674	3.5
185.09636	2.7
185.13284	2.0
187.11179	3.1
187.14809	3.4
189.12723	1.9
191.10629	1.9
191.14252	3.2
193.04935	2.2
193.12215	3.9
197.13283	2.9
199.14819	2.2
201.12672	1.7
201.16368	1.2
203.10658	1.0
205.12195	1.3
207.11803	1.1
207.13693	1.8
217.12195	1.5
219.13661	1.3
220.13345	5.4
221.15425	2.1
226.10886	3.4
228.23247	3.1
229.19534	3.3
233.15367	1.6
237.07610	2.6
239.17921	3.5
247.20569	7.3
257.19006	6.1
259.11011	1.1
261.14856	1.2
261.18726	1.1
273.18506	2.8
275.20035	67.5
276.20404	2.8
287.16382	1.6
287.20026	1.4
291.19543	1.5
293.21069	4.4
299.20016	1.6
317.20969	2.3
341.20810	1.5
355.22635	2.0
359.22144	2.1
373.23795	1.1
383.22061	4.0
401.23260	6.9
419.24271	13.0
437.19925	1.1
437.25140	17.7
437.33984	2.1
438.24109	7.0
438.33939	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.1911
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.0
55.01853	1.1
55.05503	0.8
55.27788	0.7
57.03424	1.6
60.04503	1.2
61.02914	2.7
61.80452	0.7
65.76328	0.7
67.05500	3.9
69.03422	9.7
69.07060	1.3
70.06583	8.7
71.04974	1.1
71.74798	1.0
72.08142	9.5
73.02912	1.3
73.04025	1.4
74.02435	1.4
74.06076	0.7
76.04011	0.9
76.07581	0.8
79.05025	1.5
79.05485	28.4
80.05859	1.0
81.03408	2.3
81.07059	2.8
83.04981	1.3
84.00032	0.6
84.04478	1.9
84.08151	3.3
85.02900	8.7
85.04020	0.7
86.02430	1.1
86.06055	0.7
86.09698	7.4
87.04465	1.7
90.57471	0.6
90.60323	0.8
91.03950	1.0
91.05456	3.8
92.49208	0.6
93.07033	1.0
94.06549	1.0
95.04968	2.1
95.08612	1.2
96.08121	17.6
97.02859	4.3
97.06487	1.6
97.07624	2.1
98.09698	0.7
99.04426	1.4
100.07637	1.2
103.05464	0.9
105.07024	1.0
106.06547	10.9
107.04939	7.6
107.08612	2.0
108.08047	0.7
109.02855	1.7
112.08710	1.2
114.10278	12.4
116.07052	0.6
117.05759	1.3
118.06534	5.7
119.08553	0.9
120.08105	8.9
121.10088	1.0
121.85158	0.6
122.06030	4.5
124.07566	1.4
125.05994	1.3
127.03902	2.5
129.07024	0.7
129.10236	1.7
130.05002	0.9
131.04916	0.6
132.06813	4.1
133.07593	17.5
134.06004	0.8
135.09181	2.0
135.11693	2.6
136.07559	1.9
136.12018	2.2
137.02321	2.1
142.08623	4.7
145.05104	0.9
145.06464	1.1
145.07590	6.5
145.10056	0.8
146.05986	1.1
147.04364	1.0
148.07558	1.0
150.05481	1.9
151.08636	9.8
152.07104	2.0
157.10094	1.1
164.07117	1.1
173.07124	9.3
189.01933	1.3
191.03595	0.8
191.08133	4.2
203.03186	0.8
209.09216	1.7
211.12271	3.2
211.20981	0.7
217.05032	0.7
220.62810	0.7
229.13324	6.2
233.16437	1.5
257.10400	0.7
257.12915	2.3
259.11234	0.9
261.12292	4.6
261.15967	0.8
270.13284	1.1
275.13873	100.0
276.14288	3.8
307.05978	0.9
323.05338	2.7
324.06125	0.9
335.09103	0.9
337.07178	0.9
363.08569	1.1
367.07938	1.1
391.08011	1.6
393.28665	0.9
401.07559	1.9
409.09134	0.8
419.07599	2.6
437.08813	7.4
437.19052	58.9
437.31290	2.1
438.08411	1.6
438.19745	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	437.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	5.5
55.01866	2.8
55.05492	2.1
55.93509	3.2
56.96556	6.7
57.03429	49.6
61.02918	21.4
69.03043	2.7
69.03420	53.5
70.06577	6.6
70.25059	2.1
70.25346	8.3
71.01366	4.3
71.04982	6.1
71.92991	2.9
72.08140	2.2
72.93780	3.3
73.02906	91.4
80.04994	2.4
81.03407	28.0
83.04968	2.0
83.76785	1.7
84.04498	5.2
84.08136	3.4
84.96069	1.9
85.02892	100.0
87.04446	8.2
88.99162	2.0
89.03905	1.9
90.94814	3.4
91.03937	3.0
96.04475	3.4
97.02876	85.6
98.06003	4.1
98.20853	2.4
98.97591	5.1
99.04439	22.4
103.03929	3.4
105.06932	1.9
108.04478	9.5
108.51571	2.1
109.02878	18.8
111.46755	1.8
112.05103	2.1
115.03918	48.7
116.98618	2.0
122.06007	12.4
124.99997	4.9
126.05495	7.6
127.03905	31.2
127.04844	2.0
132.06570	2.7
133.04962	11.0
145.04945	38.2
150.05489	23.7
150.07646	2.5
150.96896	2.1
158.99568	2.4
159.09190	2.0
161.01170	3.7
161.96118	2.9
163.06013	10.4
177.00737	4.7
177.05504	1.8
181.02570	3.2
186.99078	3.5
191.02153	2.7
192.06583	3.7
205.00072	3.0
212.09125	3.2
219.01845	4.9
223.05960	5.1
237.02727	1.8
240.08640	65.1
241.07056	5.3
241.09126	2.1
243.49321	2.0
257.06689	1.7
258.09695	59.1
259.08023	3.1
263.00848	2.1
270.09705	40.9
273.94116	1.7
275.07837	4.7
281.01624	2.2
288.10727	18.5
295.10248	5.8
402.13812	7.5
420.15048	28.4
437.16434	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	436.3207
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.3
55.01854	0.3
55.05494	0.6
61.02937	0.2
67.05504	0.9
69.03414	0.5
69.07051	0.6
70.06580	0.2
70.62945	0.3
70.63338	0.3
71.04972	0.2
72.08131	0.2
79.05492	1.0
81.03406	0.6
81.07057	1.9
83.04958	0.3
83.08614	0.5
85.02886	0.2
91.05463	0.9
93.07037	0.7
95.04941	0.3
95.08596	0.6
97.02876	0.2
97.06513	0.2
98.09691	0.5
99.04434	0.2
105.07002	0.6
105.07666	0.2
106.06542	2.5
107.04961	0.3
107.08585	0.5
109.02915	0.2
109.10146	0.5
117.07021	0.3
119.08587	0.6
120.08049	0.3
121.10125	0.4
121.46134	0.1
123.08084	0.2
124.57812	0.2
127.03885	0.2
129.07008	0.3
131.08578	0.5
133.09030	0.1
133.10115	0.4
135.07991	0.2
137.08333	0.4
144.10211	0.1
145.10062	0.3
147.11682	0.4
150.09129	12.8
151.09485	0.2
157.10135	0.3
159.11723	0.2
162.09085	0.2
163.11166	0.3
164.10703	0.3
176.10669	0.1
176.14326	0.2
179.14125	0.1
185.09805	0.1
216.13878	0.1
232.16852	0.2
240.91899	0.1
241.70607	0.2
275.20016	0.7
275.42239	0.2
292.20377	0.2
321.07819	0.1
336.23013	1.0
348.69223	0.2
392.29434	4.7
393.29865	0.3
406.27338	2.3
407.27878	0.2
419.24023	0.2
420.28873	0.2
436.32071	100.0
437.24835	2.1
437.32407	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	436.2174
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87653	0.6
53.03929	1.1
55.01859	2.1
55.05504	3.8
55.29208	0.6
57.03447	0.8
59.05013	0.6
67.05492	5.4
69.03398	1.4
69.07050	2.1
70.06162	3.8
70.06580	2.7
71.04980	1.0
72.08122	1.0
74.76780	0.6
79.05489	5.7
81.03408	2.0
81.07056	6.6
83.04971	1.6
83.08627	0.9
84.08143	1.0
85.02884	2.5
85.06548	0.8
91.05464	6.0
92.05779	0.8
93.07052	4.6
95.01314	1.9
95.04967	3.4
95.08583	3.6
96.65829	0.8
97.02878	1.4
97.06511	1.3
97.10144	0.9
98.20788	0.9
99.04430	0.7
103.05465	1.3
105.03362	0.9
105.07034	4.2
107.04934	2.5
107.08588	2.5
109.02872	1.9
109.06512	1.2
109.10146	2.8
115.05454	1.2
115.08691	0.7
117.07003	2.5
119.04936	1.2
119.08581	3.1
120.08096	1.2
121.06496	2.0
121.10101	1.6
123.04431	1.0
123.08030	0.8
123.11687	1.2
125.02348	0.7
125.06010	0.8
125.09645	0.7
127.03878	0.7
128.06197	0.7
129.06985	2.8
131.04919	1.9
131.08527	3.9
133.02792	0.7
133.06470	2.1
133.10124	2.9
135.04369	1.3
135.07997	0.9
135.11632	0.7
137.02249	0.7
137.06023	0.8
140.74033	0.7
141.01785	0.7
141.06985	1.5
143.08551	2.5
145.06480	3.0
145.10106	2.3
147.04414	2.2
147.07971	0.8
147.11656	1.3
149.02312	1.7
149.05977	0.8
149.09619	0.8
151.03868	1.5
155.08525	2.0
157.06450	1.6
157.10110	2.5
159.04231	0.7
159.08023	1.0
159.11700	1.4
161.05946	2.4
161.09607	0.9
163.03871	1.7
163.11137	0.7
167.07024	1.5
167.08473	1.1
169.10091	1.2
171.04309	0.9
171.08093	1.3
171.11632	0.6
173.05956	2.0
173.13345	0.9
175.03853	1.9
175.07504	1.3
175.11221	1.1
177.05443	1.1
179.03400	1.4
181.04996	1.2
182.05382	1.1
183.07990	0.7
185.09624	0.7
185.13289	0.8
187.03981	1.4
187.11168	1.2
187.14803	0.7
189.05460	2.3
191.03473	1.3
191.07094	0.9
193.12207	1.4
195.11728	1.0
197.09679	1.1
199.07414	0.7
199.11174	1.6
203.06969	0.8
205.04881	1.1
205.12117	1.0
213.12805	1.2
215.10764	1.0
217.05034	1.1
221.04434	5.5
222.45090	0.6
223.11128	1.1
225.09065	0.8
227.10713	2.0
233.11766	2.4
235.06061	1.5
241.12271	2.5
243.10152	0.8
251.10712	2.0
255.10129	1.0
259.13312	2.2
269.11664	4.3
271.13306	1.1
277.10645	2.3
287.12738	6.4
297.11292	3.7
303.12381	0.8
305.13782	3.5
315.12204	15.0
333.13300	100.0
334.13733	3.7
351.14386	26.6
369.15414	2.7
418.15671	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15536	1.6
51.02383	1.4
51.80339	1.4
53.03937	9.1
54.02965	1.4
55.01878	9.3
55.05500	6.4
57.03420	4.2
61.02900	4.1
64.12184	1.5
67.05515	7.5
67.72752	1.4
68.99783	2.3
69.03420	29.0
69.07043	5.9
69.43633	6.0
69.44061	10.9
70.06576	6.0
71.04961	4.6
73.02916	7.2
79.05487	13.5
81.03413	23.9
81.07052	10.6
84.08099	2.2
85.02897	64.6
85.90552	1.4
86.09697	3.6
87.00823	26.3
91.03948	2.3
91.05475	21.7
93.07036	87.4
95.04967	8.1
95.08588	11.6
97.02885	26.5
97.06548	7.9
97.51340	1.6
98.20686	2.3
99.04440	11.7
100.42004	1.6
105.01860	25.5
105.07016	10.6
107.08582	100.0
109.02861	26.1
109.06479	4.4
109.10130	7.6
111.04421	2.1
115.03922	2.0
117.01855	3.3
117.05782	1.5
119.08571	2.1
127.03009	3.3
127.03903	48.2
129.01823	2.7
129.10184	2.5
132.08044	1.6
133.10117	1.7
135.11676	64.1
137.13228	3.3
145.04924	21.0
145.10146	1.7
147.02831	1.9
147.04295	1.4
149.30280	1.6
153.12726	6.8
155.06000	5.1
159.02852	19.3
163.11275	1.9
165.12712	2.3
167.57593	1.6
177.61880	1.5
213.03871	1.8
227.11768	3.6
231.04953	10.7
248.03584	1.7
255.11209	3.6
275.04730	2.3
287.92010	1.7
297.12411	3.6
297.32645	1.6
315.13373	6.4
383.13553	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.2174
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.8
55.01857	3.3
55.05502	5.3
57.03428	1.5
65.03925	1.9
67.05489	9.7
69.03422	4.4
69.07060	6.2
70.06577	4.5
71.04977	1.8
71.73528	2.3
72.08150	3.1
79.05491	10.7
79.95705	1.4
81.03411	4.0
81.07044	12.8
83.08615	2.1
84.08146	2.9
85.02876	4.1
85.06532	2.1
86.09682	1.5
91.05464	13.1
91.99310	1.3
93.07044	9.2
94.07362	1.8
95.01361	2.4
95.04971	3.1
95.08606	8.5
97.02895	3.2
97.06494	2.9
103.05486	1.4
105.07030	8.8
106.07345	2.0
107.04941	3.6
107.08595	6.7
108.08931	2.1
109.02869	2.2
109.06538	1.9
109.10142	6.6
117.07017	5.7
119.04964	1.6
119.08553	6.9
120.28764	1.5
121.06503	4.1
121.10157	3.5
123.04422	1.8
123.08058	2.6
123.11703	2.3
125.05994	1.8
129.07060	3.8
131.04945	1.7
131.08585	5.5
133.06487	2.4
133.10138	5.1
135.04437	3.8
135.08038	3.0
137.05989	1.8
143.08543	1.8
145.06519	1.7
145.10103	5.6
147.11681	4.2
151.03889	2.9
157.10107	2.9
159.11732	3.5
161.05988	2.0
163.03984	1.7
165.01805	1.7
167.07053	3.4
167.08505	2.0
171.11693	2.3
173.05891	2.9
173.13220	1.9
175.03877	2.7
175.11169	2.4
177.05457	2.1
181.04967	4.3
182.05258	2.5
185.09575	2.4
189.05455	3.2
199.11197	2.7
207.11813	1.7
213.92259	1.6
215.10744	2.0
221.02530	1.6
221.04482	5.6
225.12706	1.6
231.13692	2.0
233.11725	4.2
235.06029	2.0
241.12233	2.7
251.10573	1.8
259.13434	1.8
269.11823	1.7
277.10751	3.0
287.12772	5.0
297.11151	2.9
315.12326	12.4
333.13297	100.0
334.13565	2.9
351.14377	28.3
369.15393	3.5
372.18173	1.5
418.15509	2.5
436.18506	9.0
436.35004	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	436.2172
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	10.8
55.01870	6.9
55.05507	8.0
63.25562	5.2
65.03934	9.3
65.72472	6.6
67.05485	7.9
69.03415	26.6
69.07045	8.5
70.06585	85.5
70.15084	36.4
71.51353	6.7
72.08144	18.9
73.71085	5.8
79.05482	17.6
79.41442	6.2
81.03416	21.3
81.07040	35.2
84.04510	11.1
84.08115	24.3
85.02905	45.9
86.09689	48.3
87.00801	29.1
91.05471	37.0
93.07043	68.3
95.04961	14.1
95.08578	21.2
97.02867	29.1
99.04445	9.3
103.05464	17.3
105.01871	45.3
105.07030	11.8
107.04903	10.4
107.08579	100.0
109.02860	22.0
109.10146	8.3
110.07160	15.2
118.98321	7.1
119.04915	23.2
120.08087	28.9
127.03905	44.2
129.10207	23.2
131.04906	12.4
132.08055	7.3
135.11674	55.3
136.07541	15.0
137.02328	8.7
137.05954	73.8
145.04942	17.3
147.04405	46.1
151.07527	9.2
152.07057	8.7
153.12735	8.8
159.02899	7.5
161.05977	8.3
163.07516	10.8
178.08580	31.0
179.07028	18.9
198.11201	11.9
231.04863	7.8
284.22943	7.7
289.26828	8.2
304.05197	13.8
419.07507	7.1
437.08505	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	436.2174
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87653	0.6
53.03929	1.1
55.01859	2.1
55.05504	3.8
55.29208	0.6
57.03447	0.8
59.05013	0.6
67.05492	5.4
69.03398	1.4
69.07050	2.1
70.06162	3.8
70.06580	2.7
71.04980	1.0
72.08122	1.0
74.76780	0.6
79.05489	5.7
81.03408	2.0
81.07056	6.6
83.04971	1.6
83.08627	0.9
84.08143	1.0
85.02884	2.5
85.06548	0.8
91.05464	6.0
92.05779	0.8
93.07052	4.6
95.01314	1.9
95.04967	3.4
95.08583	3.6
96.65829	0.8
97.02878	1.4
97.06511	1.3
97.10144	0.9
98.20788	0.9
99.04430	0.7
103.05465	1.3
105.03362	0.9
105.07034	4.2
107.04934	2.5
107.08588	2.5
109.02872	1.9
109.06512	1.2
109.10146	2.8
115.05454	1.2
115.08691	0.7
117.07003	2.5
119.04936	1.2
119.08581	3.1
120.08096	1.2
121.06496	2.0
121.10101	1.6
123.04431	1.0
123.08030	0.8
123.11687	1.2
125.02348	0.7
125.06010	0.8
125.09645	0.7
127.03878	0.7
128.06197	0.7
129.06985	2.8
131.04919	1.9
131.08527	3.9
133.02792	0.7
133.06470	2.1
133.10124	2.9
135.04369	1.3
135.07997	0.9
135.11632	0.7
137.02249	0.7
137.06023	0.8
140.74033	0.7
141.01785	0.7
141.06985	1.5
143.08551	2.5
145.06480	3.0
145.10106	2.3
147.04414	2.2
147.07971	0.8
147.11656	1.3
149.02312	1.7
149.05977	0.8
149.09619	0.8
151.03868	1.5
155.08525	2.0
157.06450	1.6
157.10110	2.5
159.04231	0.7
159.08023	1.0
159.11700	1.4
161.05946	2.4
161.09607	0.9
163.03871	1.7
163.11137	0.7
167.07024	1.5
167.08473	1.1
169.10091	1.2
171.04309	0.9
171.08093	1.3
171.11632	0.6
173.05956	2.0
173.13345	0.9
175.03853	1.9
175.07504	1.3
175.11221	1.1
177.05443	1.1
179.03400	1.4
181.04996	1.2
182.05382	1.1
183.07990	0.7
185.09624	0.7
185.13289	0.8
187.03981	1.4
187.11168	1.2
187.14803	0.7
189.05460	2.3
191.03473	1.3
191.07094	0.9
193.12207	1.4
195.11728	1.0
197.09679	1.1
199.07414	0.7
199.11174	1.6
203.06969	0.8
205.04881	1.1
205.12117	1.0
213.12805	1.2
215.10764	1.0
217.05034	1.1
221.04434	5.5
222.45090	0.6
223.11128	1.1
225.09065	0.8
227.10713	2.0
233.11766	2.4
235.06061	1.5
241.12271	2.5
243.10152	0.8
251.10712	2.0
255.10129	1.0
259.13312	2.2
269.11664	4.3
271.13306	1.1
277.10645	2.3
287.12738	6.4
297.11292	3.7
303.12381	0.8
305.13782	3.5
315.12204	15.0
333.13300	100.0
334.13733	3.7
351.14386	26.6
369.15414	2.7
418.15671	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.1964
Annotation	Unknow
Peak:m/z	Relative Intensity
53.80069	4.1
55.01878	5.0
55.05503	6.0
59.04988	4.6
65.03900	4.2
67.05486	12.4
69.03420	13.0
69.07060	28.8
70.06593	22.2
70.06921	4.1
71.42132	8.1
79.05479	5.8
80.76754	4.3
81.03400	8.5
81.07047	18.2
83.04972	9.1
84.04484	4.8
84.08130	6.7
85.02892	21.7
85.06520	9.7
86.09692	5.2
87.00832	15.2
91.05466	50.0
93.07035	62.6
95.04976	5.8
95.08582	35.8
97.02881	16.3
97.06509	11.7
99.04453	5.4
103.05454	17.6
105.01855	24.4
105.03354	9.7
105.07024	22.4
107.08580	41.5
109.06500	12.0
109.10132	19.3
115.05423	3.8
119.04926	59.7
120.08096	5.3
123.11725	6.7
127.03922	20.6
129.07019	4.3
131.04912	22.0
133.10106	4.9
135.11668	50.8
137.05966	100.0
138.06313	9.8
145.04942	12.8
147.04384	24.2
149.05963	11.7
151.07487	31.0
153.12743	16.1
159.07899	4.6
161.05978	30.9
162.06770	12.2
163.07484	5.5
175.07533	23.2
179.07013	22.4
187.07500	8.9
193.08612	7.3
205.08551	10.7
231.04999	7.9
249.05716	5.6
279.09988	5.4
305.32706	4.6
309.11200	11.6
311.12836	5.4
364.94839	4.6
365.30429	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.2173
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52839	0.5
53.03933	1.0
55.01854	0.6
55.05508	2.7
57.86466	0.5
59.04980	1.7
66.00056	0.5
67.05480	1.3
69.03415	2.3
69.07043	1.8
70.06576	2.3
70.25961	2.1
71.04985	12.7
72.08141	0.6
73.06549	3.6
79.05489	5.5
81.03391	1.7
81.07050	17.9
84.08134	1.5
85.02892	3.1
86.09677	1.3
87.00822	1.9
91.05472	1.3
93.07037	12.8
95.08569	2.9
97.02875	2.2
97.06526	1.9
105.01845	3.8
107.08570	9.2
109.02872	0.6
109.10143	1.9
120.08091	1.5
121.96217	0.6
127.03886	2.3
135.11690	19.8
137.05974	0.8
138.12453	0.6
143.94463	0.6
145.04941	1.3
153.12729	100.0
154.13074	1.6
364.55423	0.6
406.49207	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.1445
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36117	2.9
53.03923	11.2
55.01863	7.6
57.03433	7.3
60.04536	3.7
61.02908	7.6
68.99776	6.9
69.03418	36.3
70.06579	11.3
71.74740	4.5
72.08145	4.3
73.02907	6.3
81.03414	29.9
83.04985	3.2
84.08122	6.1
85.02898	100.0
87.00803	30.2
92.20599	3.2
95.02891	3.4
96.09625	3.4
97.02878	35.2
98.05994	3.7
99.04446	17.5
103.03922	4.9
105.01839	29.1
107.04947	7.8
108.04453	10.2
109.02859	29.6
110.07127	5.5
111.04427	17.3
115.03876	4.7
126.05505	7.3
127.03913	57.5
129.01813	5.5
139.03885	45.8
145.04968	26.2
147.02858	5.3
155.05634	3.2
159.02930	19.4
163.03947	11.3
171.06511	61.1
177.05411	4.2
181.04962	6.3
189.03947	5.3
195.06514	23.1
205.05054	4.1
211.08469	3.4
212.34471	3.4
213.03946	5.2
213.07617	13.2
231.05014	14.0
237.07520	13.3
248.07559	4.8
253.09959	5.7
261.07596	8.4
279.08731	11.3
436.15454	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	435.9858
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02391	1.5
53.03709	3.0
53.03942	36.9
53.93987	6.5
56.96558	67.1
65.99052	1.6
68.96329	2.9
69.52673	1.6
69.93468	3.6
70.06580	5.5
70.94244	10.2
70.96381	3.3
71.95284	2.0
72.08114	1.9
72.96016	2.1
74.97611	3.6
79.05453	2.0
80.05027	1.8
81.03408	48.1
84.04483	3.9
84.08135	4.5
84.96021	29.7
85.02900	2.1
86.06065	1.7
86.09694	3.0
87.94492	3.0
88.95285	8.7
98.97580	13.4
100.99146	5.0
102.97059	7.3
104.82764	1.9
106.96326	3.4
110.07147	2.3
113.03465	2.5
113.06635	1.5
115.00677	6.2
116.98592	14.5
119.00185	2.2
123.96560	4.2
124.99099	16.4
126.96987	2.1
128.98466	1.9
130.96315	2.5
132.10188	2.7
133.01740	5.8
134.65979	1.6
134.99640	13.2
136.06226	2.1
136.99120	3.8
143.00156	63.4
143.97066	3.2
144.18161	1.6
144.98090	8.8
147.96564	5.2
148.97345	6.6
154.93239	2.3
155.00114	20.5
156.97844	2.1
158.99625	8.3
159.96548	5.7
161.01202	100.0
161.98138	2.8
162.04387	1.8
162.99121	16.2
163.99709	4.5
165.97639	1.9
168.98090	2.2
172.94307	8.0
173.01215	54.4
174.98914	3.2
177.00723	15.4
177.97647	1.7
179.02243	14.2
181.00171	5.9
184.02811	4.3
186.99118	13.7
187.02759	1.8
188.02264	3.9
189.97594	2.9
190.95343	8.7
191.02266	17.7
195.01733	3.0
196.02853	3.9
200.02309	3.9
203.95602	5.2
205.00194	30.7
206.03368	3.3
211.99637	2.3
213.04442	1.8
215.02261	5.0
217.97150	2.8
223.01195	33.4
230.98267	4.4
235.94734	1.8
239.02119	2.0
241.01917	2.6
241.03952	4.4
243.01775	4.1
246.02650	1.8
248.99135	26.7
252.96791	9.4
256.96255	2.9
267.00113	39.5
270.98199	1.8
272.00854	1.8
279.97934	3.1
282.94681	2.1
285.02826	2.4
311.00705	5.9
327.97147	2.2
328.94885	33.3
329.01688	51.2
346.95923	72.4
347.02563	23.4
356.02908	1.9
364.96893	3.8
369.97586	8.5
370.04282	3.6
408.97449	69.0
426.98215	7.8
435.98297	2.2
449.99887	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	435.2739
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98113	3.7
55.05511	19.0
57.03426	3.8
57.07072	4.8
57.73268	3.3
67.05499	27.2
69.03413	4.7
69.07085	21.0
69.07384	4.0
70.06582	27.9
71.04994	4.5
71.72954	3.6
71.73338	7.2
72.08184	5.6
79.05480	20.1
81.07040	34.4
83.04941	3.8
83.08608	10.3
85.02884	5.2
91.05476	27.6
93.07059	19.5
95.04938	4.7
95.08590	31.0
97.10151	13.9
99.87439	3.8
105.07033	17.7
107.08585	13.0
109.06512	7.1
109.10158	15.1
111.11736	4.7
112.08706	5.9
114.45908	3.9
115.39214	4.2
116.07077	7.4
117.06984	4.7
119.04947	21.4
119.08554	13.6
121.06533	4.9
121.10128	13.2
133.10112	8.9
135.11682	9.3
143.08563	4.9
144.09424	4.6
145.10089	6.0
147.04401	100.0
147.11623	4.8
158.09209	6.4
159.11690	4.6
165.05472	10.8
187.11087	3.8
217.19560	10.6
235.20631	10.4
253.21881	5.1
343.26169	8.6
395.90311	4.7
435.33432	47.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2503
Annotation	LPA(0:0/18:2(9Z,12Z))
Peak:m/z	Relative Intensity
55.05497	23.3
65.49413	8.6
67.05499	50.2
69.07053	26.8
69.42347	39.4
69.42775	63.2
70.06590	8.7
79.05474	32.2
81.07058	67.8
83.08601	14.3
85.06503	10.3
91.05475	32.9
93.07043	45.7
95.08595	62.8
97.10172	11.3
98.98457	67.5
105.07015	39.4
107.08590	29.8
109.06516	100.0
109.10142	41.2
119.08564	37.6
121.10135	21.3
123.11687	12.8
131.08572	17.3
133.10112	21.6
140.99406	15.9
143.08551	11.0
145.06429	15.1
145.10094	18.0
147.11691	8.8
152.70836	8.5
155.01024	22.5
157.10249	15.4
159.11636	17.5
175.14877	9.4
187.14850	12.7
197.02066	20.7
197.13210	10.0
245.22670	12.1
251.27364	11.0
263.23703	18.2
331.03760	10.5
337.27197	47.6
343.22711	18.0
435.28763	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	435.2738
Annotation	Iriomoteolide 3a
Peak:m/z	Relative Intensity
55.05508	25.3
57.07058	7.0
58.58963	4.6
64.03001	4.1
67.05506	40.2
69.07065	21.5
70.06570	8.4
71.08569	3.8
71.75387	5.8
79.05490	36.5
81.07040	48.5
83.04974	4.6
83.08598	12.4
85.02893	6.1
85.06525	6.4
89.95835	4.0
91.05480	52.8
93.07039	50.8
95.01316	17.5
95.04935	8.0
95.08611	36.7
97.10136	14.0
99.08037	4.4
105.07019	35.9
107.08593	34.3
109.06503	5.0
109.10144	20.2
117.06998	9.6
119.04927	23.6
119.08569	28.0
121.10136	30.0
123.11710	7.7
125.09602	6.3
129.06999	6.1
131.08549	12.6
133.10109	26.2
135.11684	27.0
140.73344	4.2
141.01807	12.1
143.08565	7.7
145.10118	15.4
147.04393	100.0
147.07950	7.1
147.11624	16.6
149.13223	23.0
157.10091	7.7
159.11644	15.3
161.13208	12.9
163.14691	6.1
171.11636	10.5
177.03992	9.1
185.13275	6.5
199.14888	5.0
210.65552	4.0
217.19473	9.8
235.20534	8.6
241.19427	9.5
253.21596	8.2
259.20596	17.7
292.87549	3.9
338.67096	4.4
347.21005	4.3
435.23520	43.8
435.32843	17.8
435.38995	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	435.2503
Annotation	1-(9Z,12Z-octadecadienoyl)-glycero-3-phosphate
Peak:m/z	Relative Intensity
55.05502	18.2
57.03435	7.1
57.07080	5.7
58.32186	3.1
64.82677	3.1
67.05498	51.4
67.05852	5.4
69.07067	20.7
70.94257	9.6
79.05476	13.7
81.07050	56.6
81.90069	3.1
83.08598	12.1
87.97620	3.2
91.05482	5.8
93.07024	15.4
95.08601	48.7
96.10004	3.3
97.10145	6.8
98.98454	76.3
105.07025	5.4
107.08582	11.3
107.87133	3.4
109.10160	19.1
114.96996	3.3
119.08541	5.3
121.10124	9.4
123.11732	9.2
127.16456	3.3
133.10110	9.1
144.99474	3.0
147.11670	5.1
149.13303	4.2
150.62639	4.0
155.01019	13.8
158.60561	3.4
161.13232	4.5
173.02092	13.1
175.14737	3.9
176.51140	3.4
178.11571	3.3
245.22606	10.2
263.23657	15.1
337.27350	100.0
338.27835	5.8
395.09680	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	435.2371
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	4.4
55.01849	12.5
55.05510	24.8
57.03419	6.0
57.73101	3.3
63.79640	3.3
67.05497	38.0
69.03412	5.0
69.07051	12.2
70.57959	11.5
74.70364	2.9
79.05479	26.4
80.83495	3.5
81.07040	41.2
83.04967	7.6
83.08593	11.3
85.02856	9.1
85.10188	4.9
86.99841	2.7
91.05481	22.5
93.07024	34.2
95.01305	11.5
95.04949	4.7
95.08572	22.8
97.02854	5.5
97.06476	3.5
97.10126	4.7
105.06999	28.5
106.82175	3.3
107.04971	4.3
107.08566	15.6
109.06521	5.8
109.10123	12.1
111.08045	13.8
117.06947	7.1
119.08573	17.6
121.10129	14.2
123.11666	8.2
126.28948	3.4
129.01868	4.0
129.06934	5.8
131.08557	4.4
133.10078	16.8
135.11630	6.3
141.01764	12.2
143.08496	4.7
145.10120	6.0
147.11632	12.2
149.09628	4.6
149.13257	5.3
157.10074	4.0
159.11624	3.5
161.13228	7.6
165.12737	6.6
175.14815	4.7
178.55872	3.1
199.30388	3.1
203.14291	3.9
205.44791	3.6
231.20935	4.8
241.19113	3.7
249.22061	4.0
259.20526	11.3
270.51828	4.0
277.21674	24.7
417.08850	3.2
435.23749	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2374
Annotation	Phorbol 13-butanoate
Peak:m/z	Relative Intensity
53.03942	10.1
55.01863	33.0
55.05504	38.2
57.03439	4.0
57.07063	6.3
61.02916	7.9
65.83918	3.5
67.05501	54.4
69.03432	5.5
69.07071	21.4
70.40923	10.4
70.41315	7.8
70.67265	3.4
71.04971	8.2
71.08625	3.9
79.05485	66.0
81.03418	16.3
81.07050	51.7
83.01324	6.5
83.04974	7.6
83.08604	11.4
85.06527	5.9
91.05474	84.8
93.07041	52.2
95.04962	18.4
95.08613	32.4
97.02832	4.3
98.20713	4.5
103.05467	19.9
105.07014	66.0
107.04943	36.5
107.08572	25.8
109.02905	5.4
109.06510	8.0
109.10144	12.6
111.04374	4.0
115.05472	15.1
117.07007	45.6
119.04911	16.5
119.08568	35.1
121.02845	5.5
121.06509	26.5
121.10153	15.6
123.04448	10.4
123.08035	8.2
125.02335	24.4
128.06212	12.5
129.06987	30.3
130.07782	4.9
131.04897	13.7
131.08572	40.4
132.05673	4.4
133.06473	29.6
133.10081	21.6
135.04393	17.0
135.08000	7.7
135.11653	16.1
137.02364	5.2
139.03870	11.0
141.06984	15.7
143.04974	4.6
143.08551	20.4
144.05725	7.5
145.06482	34.1
145.10095	33.0
147.04411	13.4
147.08037	18.0
147.11667	9.3
149.02254	4.4
149.05946	25.3
149.09619	19.5
151.03871	23.6
153.05437	13.3
155.03426	9.2
155.08595	11.6
157.06511	11.0
157.10123	13.0
158.07278	4.6
159.04413	14.3
159.08044	17.3
159.11690	11.9
161.05954	25.5
161.09590	18.4
161.13295	5.4
163.03879	72.2
163.07568	6.6
163.11154	11.1
165.05470	9.8
165.06856	4.1
165.12675	4.2
167.08572	7.4
169.10101	11.1
171.04404	4.7
171.08116	6.9
171.11688	10.4
172.08838	3.9
173.05989	15.3
173.09645	9.9
175.03929	8.1
175.07434	4.1
175.11176	8.5
177.05440	37.6
177.09027	4.9
179.07013	7.4
181.04950	18.2
183.08156	4.6
183.11688	8.6
185.06026	6.6
185.09604	8.6
185.13237	4.6
187.03899	12.6
187.07545	13.2
187.11171	11.7
189.05423	38.0
189.09071	9.7
191.07034	11.5
191.10567	9.1
193.04973	8.9
193.08575	9.4
197.09569	6.5
197.13283	7.2
199.07570	7.2
199.11209	8.9
199.14830	4.9
201.09073	7.2
201.12799	10.3
203.07013	12.9
203.10661	9.7
205.08539	4.7
205.12340	6.7
207.10127	15.9
209.09625	6.9
211.11189	4.4
213.05371	5.1
215.06937	11.3
215.10638	10.1
217.12305	7.8
219.06430	5.6
219.10139	28.2
221.11617	8.0
223.11250	5.1
225.11064	6.4
227.06903	6.0
227.10721	6.8
229.08557	10.4
229.12209	6.4
231.10179	14.3
233.11684	68.3
235.09769	5.2
241.12212	11.0
243.10161	6.1
245.11679	36.0
247.13286	9.8
249.11214	8.5
255.13948	5.4
257.11722	15.8
259.13290	8.2
269.11935	5.6
271.13263	19.0
271.20334	6.1
275.12689	19.5
281.19046	6.9
283.13235	5.5
285.14813	11.1
289.21658	6.2
293.13867	39.4
297.14957	5.6
297.18417	5.6
325.17798	6.4
325.21683	5.5
327.19388	11.4
329.13699	4.6
329.20996	11.3
339.19614	5.5
341.21100	8.5
343.19034	7.5
343.22705	6.7
345.20517	5.4
347.15149	5.7
351.19489	9.0
353.21057	19.3
355.22626	5.8
357.20517	12.0
369.20627	86.3
371.22162	23.9
375.21759	5.8
381.20508	36.3
387.21515	34.7
389.23178	6.5
399.21655	100.0
417.22733	75.2
435.23770	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	435.2274
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.7
55.01852	1.0
55.05505	4.5
57.03419	1.3
57.07065	1.3
59.05005	0.9
65.03929	2.3
67.05505	4.9
69.03416	2.4
69.07067	5.1
70.06574	2.5
71.73389	0.8
72.08147	3.3
72.33469	0.8
79.05492	4.2
81.03410	2.2
81.07045	7.8
83.04979	1.8
83.08624	1.7
84.04505	1.4
84.08144	0.8
85.02907	2.6
85.06543	0.8
91.05473	8.1
92.05009	3.9
93.07041	4.9
95.04971	3.1
95.08611	7.8
97.06521	1.8
97.10195	1.4
103.05474	1.2
105.07008	5.4
106.06557	1.7
107.04954	3.5
107.08578	4.2
109.02886	1.1
109.06492	2.0
109.10137	5.6
111.04462	1.6
114.10276	1.7
115.05419	3.9
117.05753	2.5
117.07001	4.7
118.06536	64.5
119.07333	1.8
119.08556	4.9
120.04430	0.9
120.08129	1.8
121.06493	2.2
121.10131	3.3
123.04475	1.4
123.08083	1.5
123.11684	1.6
124.05158	1.3
125.05973	1.4
127.03889	2.2
128.06200	1.3
129.07002	1.7
130.06535	2.0
131.04906	1.2
131.08612	1.9
132.08101	2.0
133.06477	1.7
133.10136	3.4
135.08028	0.9
135.11726	1.7
137.06007	2.1
137.13187	1.1
142.06528	3.8
143.07297	4.5
143.08430	1.5
144.04404	0.9
144.08073	22.5
145.06471	1.9
145.10150	2.0
146.06000	100.0
147.06369	1.4
147.08026	1.0
147.11621	1.3
149.06009	1.9
149.09608	1.6
149.13326	1.2
157.10117	2.7
159.07999	1.3
159.11664	2.7
160.07585	1.5
161.05960	1.1
161.09645	1.4
163.11189	1.3
165.09135	0.9
167.07033	7.9
170.06013	7.4
171.11708	2.3
172.05157	1.3
173.13284	2.2
175.14835	1.1
177.05434	1.0
181.04944	15.0
185.13298	1.3
187.07498	1.2
188.07051	72.7
197.13322	1.2
199.14867	1.2
201.05406	1.2
202.15898	6.6
205.08589	0.8
230.15387	60.6
231.15704	2.1
233.08047	6.2
248.16452	86.3
249.16815	3.1
255.17418	1.0
263.09113	1.6
274.21609	1.0
288.15891	2.1
290.81876	0.9
302.65759	1.0
333.13461	1.3
382.23083	1.2
387.14374	1.3
399.09781	1.1
417.15305	3.6
417.21124	1.1
435.22879	35.4
435.28430	1.6
436.23160	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.2017
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01850	1.3
56.05019	1.6
56.12082	1.3
57.03186	1.0
57.03436	9.7
59.05011	1.2
61.02908	1.1
69.03408	4.6
70.06584	9.6
71.04959	1.3
71.13537	2.3
71.13884	2.5
72.08138	3.3
75.04462	4.7
81.03381	2.6
84.04470	1.8
84.08128	5.5
85.02892	13.0
86.09681	7.5
91.05486	6.9
93.06995	1.1
97.02867	4.1
99.04416	1.1
103.05451	31.3
104.05293	1.4
105.03367	1.8
105.07016	1.6
107.04924	1.6
109.02854	2.2
109.06459	1.9
110.03643	5.9
110.07143	2.9
119.04947	8.3
120.08089	2.7
121.06550	5.8
123.04430	12.5
124.05170	4.3
127.03944	2.5
129.10226	1.6
130.04161	2.9
131.04913	100.0
132.04359	1.6
132.05238	3.3
133.06474	2.4
135.08023	2.1
137.05981	16.8
138.06749	12.3
147.04404	1.5
148.05162	12.3
149.05965	1.6
151.06436	1.2
151.07507	6.9
161.05940	4.8
162.06726	1.4
163.07521	71.6
166.06247	19.5
175.07608	1.6
179.06966	4.1
181.08566	25.7
219.10153	3.0
237.11150	12.8
255.12248	49.5
256.12625	1.8
331.99161	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.6
55.01862	1.3
55.05494	1.9
55.46870	0.7
56.05021	2.9
57.03436	1.0
57.07032	0.8
61.01145	2.4
61.02918	1.0
67.05499	11.7
69.03419	5.5
69.07062	0.6
69.99950	2.0
70.00362	1.7
70.06574	2.2
71.04962	1.4
73.02894	1.1
79.05468	2.0
81.03407	7.2
81.07049	11.1
84.04492	17.2
84.65290	0.7
85.02379	1.1
85.02895	18.6
86.09697	56.7
87.00817	5.6
87.10023	0.8
89.04252	1.3
91.05460	1.8
95.04958	4.7
95.08599	1.6
97.02875	6.3
99.04443	2.1
100.81454	0.6
102.05516	6.0
104.05329	3.5
105.01853	11.2
105.07017	3.2
107.04986	1.2
107.08587	9.0
109.02870	6.7
109.05735	0.8
109.06504	19.8
109.10143	100.0
110.10480	2.1
110.96260	0.7
111.05572	0.8
116.07050	1.8
123.08047	2.4
123.11696	14.8
127.03904	17.2
129.01855	1.4
133.10115	3.9
138.30988	0.7
144.06543	13.5
145.04939	4.6
147.02898	1.1
151.11168	30.8
159.02892	2.7
161.06041	0.7
162.07596	24.3
169.12206	7.1
172.11575	1.3
179.11720	0.8
189.03836	1.0
207.01782	0.7
213.03955	1.5
227.12097	2.3
231.04996	6.4
245.13272	0.7
249.05956	1.8
255.11548	4.8
259.13391	0.9
273.12729	1.4
275.16013	2.6
280.23682	0.9
288.14154	0.7
290.54132	0.7
330.06934	0.9
384.17709	0.8
399.16281	3.6
416.18549	2.6
418.14883	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.2017
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.0
55.01862	0.8
55.05504	2.3
57.03433	11.8
58.99590	1.4
59.04978	0.9
61.02913	0.8
61.70068	0.8
69.03408	1.7
69.07042	0.7
70.06583	5.0
71.01053	2.2
71.04984	81.5
72.08176	0.9
73.02909	2.4
75.04468	6.5
81.03426	1.0
81.07043	1.4
82.07349	0.9
83.04970	9.3
84.04493	2.1
84.08167	1.0
85.02895	100.0
86.06061	1.2
86.09662	1.4
86.99057	1.0
87.04450	2.2
91.05470	24.1
97.01069	0.9
97.02868	6.2
99.04461	1.9
101.05980	0.8
103.03893	1.4
105.07011	2.7
109.02872	1.2
111.04434	4.6
114.99715	0.8
116.01686	3.2
116.12988	0.7
127.03899	4.3
129.05464	40.0
133.06482	2.8
144.01164	1.1
145.04976	2.6
145.06387	1.1
146.08151	1.2
147.06503	19.8
151.07564	2.3
156.08421	0.9
162.02184	5.7
163.02480	1.3
163.06044	0.9
164.09160	5.5
175.07603	1.3
184.07954	0.9
201.10655	1.2
202.10837	0.8
253.21356	0.8
255.08694	2.2
288.10977	1.1
304.13101	1.1
305.13559	1.9
309.11551	0.8
359.14551	1.6
422.48804	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.1652
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88023	0.8
60.04543	1.3
69.03427	1.2
70.06583	71.3
72.08137	2.2
74.06062	1.3
77.95071	0.8
83.84737	0.8
84.08129	1.7
85.02893	2.4
86.09700	3.9
91.05453	1.2
95.04973	1.0
111.04430	2.8
116.07080	100.0
129.10205	1.2
147.04382	3.6
151.07526	19.9
157.04950	34.6
164.85934	0.9
208.88075	1.1
251.80530	0.9
272.09402	1.0
313.12796	4.1
434.21918	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2583
Annotation	Rastevione
Peak:m/z	Relative Intensity
55.05506	6.7
67.05499	26.5
67.10693	5.7
70.65569	13.5
70.65971	15.4
76.26350	6.3
81.07040	28.9
83.08642	8.4
91.05452	16.4
93.07030	7.6
95.08590	33.2
98.98454	7.7
107.08597	6.7
109.10123	10.1
113.47128	7.8
114.61074	7.0
119.04938	22.6
133.10114	15.8
137.09470	7.1
139.23685	7.1
147.04393	100.0
164.09137	6.2
165.05472	21.6
215.17844	7.4
233.19182	7.2
251.20166	11.4
379.07968	8.9
382.53931	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	434.1442
Annotation	Unknow
Peak:m/z	Relative Intensity
55.07010	1.2
70.06582	3.4
71.74493	1.4
72.08130	2.2
74.06068	1.3
84.04472	2.5
84.08128	3.9
85.02898	1.2
86.09702	4.3
100.05229	2.5
110.07102	1.4
121.70996	0.9
124.07574	7.7
129.10234	1.9
130.05020	1.1
134.09637	80.3
135.09970	1.9
136.07555	1.0
138.09125	26.2
160.07687	1.3
161.62814	0.9
162.09128	7.7
166.08612	5.5
178.08633	3.0
179.09387	76.1
180.09743	1.4
186.97227	0.9
202.09268	1.6
207.08884	83.6
208.09343	3.2
211.08372	81.4
212.08777	2.4
217.71648	1.1
220.10165	1.9
252.08797	4.9
260.09760	2.7
352.10083	6.4
353.11011	100.0
354.11359	3.8
374.11481	1.2
434.14401	14.7
435.14810	1.2
439.66348	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2348
Annotation	PA(18:3(9Z,12Z,15Z)/0:0)
Peak:m/z	Relative Intensity
50.17716	2.2
53.03940	3.1
53.82664	2.1
55.05504	10.6
57.03433	11.6
57.07071	4.4
62.62310	1.7
65.03950	2.8
67.05499	59.4
69.07059	8.2
70.17567	5.2
70.17983	6.1
70.41997	2.0
79.05486	34.2
81.07043	60.9
83.08617	4.8
91.05461	16.9
93.07033	37.3
95.04951	4.0
95.08591	53.2
98.21511	2.5
98.98457	94.6
102.52596	2.4
105.07024	17.4
107.08584	26.5
109.10153	25.6
113.09652	2.3
117.07011	6.2
119.08575	11.0
121.10122	20.2
123.11686	9.6
131.08536	10.5
133.10124	9.4
135.11696	18.2
137.13252	6.0
145.10129	9.6
147.11687	9.0
149.13239	15.2
155.01065	11.3
159.11720	10.8
161.13257	5.3
163.14809	11.4
173.02060	14.3
173.13257	7.5
175.14792	3.8
177.16423	3.0
187.14816	3.9
201.16277	1.8
243.21068	16.5
261.22083	52.2
262.22791	2.4
279.23151	3.1
317.24673	8.0
321.48401	2.2
335.25769	100.0
336.26071	5.5
383.98624	2.7
415.22610	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2348
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.9
55.05525	8.8
56.94116	1.6
57.03426	7.8
57.07071	3.0
64.58198	1.5
67.05502	39.3
68.60373	1.8
69.07070	9.5
69.41915	16.3
75.04491	2.2
79.05489	26.3
81.07053	44.1
83.08610	5.8
85.06538	1.7
85.15696	1.7
86.76831	1.7
91.05472	16.6
93.07043	38.0
95.04935	2.0
95.08604	34.5
97.06542	1.8
97.10166	2.9
98.20647	3.1
98.98464	100.0
105.07003	11.7
107.08588	24.3
109.10155	18.7
116.99487	3.2
117.07014	6.1
119.08575	12.3
121.10123	19.7
123.11694	7.5
125.09595	1.6
131.08542	14.4
133.10117	10.8
135.11673	16.0
137.13240	2.8
145.10103	9.4
147.11691	6.8
149.13237	11.4
151.14917	1.6
155.01015	19.4
159.11696	10.3
161.13237	6.8
163.14792	10.6
173.02110	19.2
173.13261	9.4
175.14848	3.1
177.16357	2.2
187.14865	3.4
192.28069	1.7
233.22691	3.9
243.21059	18.5
261.22137	67.4
302.85291	1.6
317.24701	9.7
335.25809	43.3
393.03552	1.8
415.22345	7.6
433.23389	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2217
Annotation	(-)-Malkangunin
Peak:m/z	Relative Intensity
52.84859	5.1
53.03925	12.3
55.01861	40.6
55.05507	66.3
55.06695	5.4
57.03402	8.6
57.07062	6.1
66.62820	6.0
67.05507	83.0
69.03422	13.9
69.07059	43.1
70.92332	7.4
70.92676	16.2
71.04980	13.7
79.05481	82.1
81.03406	8.2
81.07047	69.9
81.78691	5.3
83.04939	14.5
83.08598	28.7
85.06528	10.9
88.21941	6.1
88.96553	5.8
91.05474	100.0
93.07030	65.1
95.04943	26.7
95.08595	57.7
97.06538	11.2
97.10165	18.0
103.05450	11.0
105.03352	7.2
105.07023	70.9
107.04917	18.3
107.08593	29.5
109.06501	11.6
109.10152	17.2
111.08044	6.7
115.05441	22.1
117.06995	49.9
119.04919	18.4
119.08562	33.6
121.02872	6.8
121.06467	18.8
121.10104	18.8
123.08046	8.1
125.09616	6.9
128.06175	30.7
129.06969	58.4
130.07693	6.4
131.04926	30.3
131.08560	49.7
133.06473	26.6
133.10109	21.8
135.04411	13.8
135.08032	18.2
137.02290	7.0
137.09599	13.7
141.06937	35.4
142.07750	13.4
143.04904	16.1
143.08545	40.2
144.05681	9.2
145.06471	51.0
145.10106	28.9
147.04388	19.4
147.08020	22.7
147.11650	13.0
149.05989	14.2
149.09586	20.1
153.07037	12.4
154.07761	7.9
155.08568	45.5
156.09395	8.1
157.06471	34.1
157.10115	25.0
158.07303	9.3
159.04346	23.6
159.08025	41.4
161.05959	30.3
161.09627	10.7
163.03888	26.2
165.07016	19.8
166.07782	9.0
167.08601	28.2
168.09314	7.1
169.06454	18.1
169.10081	26.0
170.07184	10.4
171.04384	15.7
171.07979	30.6
171.11667	20.4
173.05968	24.5
173.09608	24.0
175.03929	29.4
175.07526	13.2
175.11089	6.8
177.05476	10.4
177.09019	7.1
178.07828	7.4
179.08568	16.6
180.09415	6.3
181.04939	7.9
181.06458	13.6
181.10092	27.2
182.07207	8.2
183.08000	26.0
183.11632	18.3
185.05878	29.5
185.09593	28.1
185.13223	13.6
187.03876	18.4
187.07532	22.4
187.11150	15.9
189.05438	24.9
189.09056	11.7
191.06966	6.8
192.09322	6.6
193.10158	20.2
194.07263	11.7
195.07997	17.2
195.11635	15.0
197.05968	16.5
197.09563	26.6
197.13197	12.8
199.03842	27.2
199.07527	24.1
199.11162	24.3
201.05417	18.3
201.09003	18.9
201.12743	6.3
203.03387	10.9
203.06963	12.6
203.10577	8.9
207.11655	11.1
209.09627	20.5
211.07507	16.1
211.11151	22.5
212.04594	6.5
213.05450	20.5
213.09117	23.5
213.12753	19.1
215.06892	10.6
215.10651	21.8
217.04944	6.6
217.08510	13.9
217.12067	7.0
221.13229	7.5
223.11110	17.8
225.08955	9.9
225.12648	18.6
227.06992	9.9
227.10690	21.9
229.04922	8.6
229.08524	13.5
229.12207	14.1
231.10094	14.8
235.11159	8.9
237.09015	12.0
237.12715	15.1
239.10625	10.2
241.08516	26.4
241.12144	22.0
243.10229	12.2
249.12805	11.7
253.12215	18.1
255.10138	33.4
255.13902	11.6
257.11630	10.1
257.15213	6.6
259.09439	7.7
259.13339	10.6
265.12161	8.9
267.10040	11.5
267.13773	10.9
269.11716	12.4
271.13269	12.3
281.11755	13.3
281.15289	8.1
281.18851	7.7
283.05920	27.8
283.13196	11.1
285.11139	8.4
285.14694	9.6
295.13138	11.1
297.18146	6.6
299.05325	8.7
299.12897	8.9
303.12183	7.0
305.18997	10.0
309.18298	9.0
311.12750	18.8
311.19876	7.0
313.06958	21.4
313.14273	8.4
321.18375	7.7
323.19919	15.9
327.19562	29.2
329.06479	19.4
329.13818	17.6
333.18335	17.5
337.06760	7.9
337.18002	10.0
339.19366	14.1
341.14041	8.4
341.20929	12.1
349.18002	16.6
351.19540	49.8
353.20969	18.3
355.19113	14.8
361.07135	7.0
361.18121	15.6
367.18951	75.0
369.20621	80.6
371.22070	11.8
379.08179	16.2
379.19061	48.9
385.20184	39.2
387.21701	66.5
397.09225	18.3
397.20108	81.3
405.22626	13.0
415.09943	7.5
415.21115	64.3
433.22232	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	433.2214
Annotation	(-)-Malkangunin
Peak:m/z	Relative Intensity
52.05599	3.7
53.03940	8.0
55.01868	34.3
55.05500	47.3
57.03415	6.3
65.63593	4.1
67.05499	59.1
69.03419	13.5
69.07053	29.3
70.13878	7.0
70.14290	15.2
71.04959	6.1
79.05486	50.0
81.03410	9.4
81.07042	81.7
81.07483	7.2
83.01337	4.5
83.04968	9.3
83.08612	13.1
85.06535	7.0
91.05466	69.5
93.03413	4.3
93.07027	37.6
95.01295	5.3
95.04946	15.3
95.08608	39.8
97.06512	8.4
97.10163	6.6
98.21317	5.1
103.05441	13.4
105.03386	7.6
105.07015	70.5
107.04942	15.1
107.08581	25.2
109.02871	4.3
109.06488	7.5
109.10126	12.8
111.08063	3.7
115.05420	20.1
116.06229	4.7
117.07009	37.4
117.53210	3.7
117.81236	3.8
119.04894	12.5
119.08566	39.4
119.11038	3.6
121.06482	15.8
121.10123	16.1
123.04408	6.3
123.08076	6.5
123.11677	15.4
125.02437	4.4
128.06206	25.4
129.06985	37.6
130.07816	4.6
131.04904	15.6
131.08551	46.8
133.06502	19.5
133.10153	19.9
135.04387	11.1
135.08057	14.8
135.11659	6.2
139.03889	5.1
141.06956	18.0
142.07782	10.3
143.08537	35.3
144.05669	7.1
145.06482	30.6
145.10089	21.5
147.04375	14.0
147.08006	14.5
147.11678	25.5
149.02315	5.2
149.09575	7.0
151.03876	7.6
152.06256	4.4
152.94124	3.8
153.06960	9.0
154.07732	7.4
155.08507	19.2
156.09300	6.6
157.06483	20.6
157.10100	22.2
158.07219	6.8
158.46945	3.6
159.04391	9.2
159.08003	29.9
159.11644	8.2
161.05968	17.7
161.09555	11.0
163.03902	18.4
163.07463	6.1
163.11073	4.5
165.05493	9.7
165.06932	11.0
165.12750	10.1
166.07698	5.3
167.08493	13.4
169.06470	12.1
169.10106	14.0
170.07231	6.8
170.89613	4.3
171.04375	13.9
171.08061	21.2
171.11674	7.1
173.05949	18.1
173.09584	22.3
175.03857	13.7
175.07489	17.5
175.11157	7.6
177.05354	4.8
177.09125	11.2
179.08530	5.4
181.06390	6.4
181.10094	6.9
182.07213	5.4
183.08047	14.0
183.11703	6.1
185.05919	16.3
185.09627	15.3
187.03932	8.5
187.07494	19.9
187.11121	7.5
189.05478	22.8
189.09074	10.0
189.12747	5.8
191.07047	10.2
193.10126	7.0
195.08028	9.6
195.11647	5.9
197.05942	8.9
197.09619	13.8
199.03850	19.6
199.07530	14.1
199.11153	10.5
201.05450	13.4
201.09102	15.5
202.06111	4.9
203.06880	19.4
205.08533	5.9
209.09592	8.1
211.07515	9.4
211.11182	10.3
213.05435	17.7
213.09044	16.2
213.12592	6.5
215.06966	16.1
215.10655	9.0
217.04967	7.2
217.08585	27.1
223.07582	4.8
223.11121	7.4
225.09090	10.7
225.12827	5.1
227.07074	9.5
227.10649	15.6
229.04938	6.0
229.08536	11.9
231.06557	5.7
231.10124	15.5
235.05898	8.5
239.06998	5.9
239.10641	12.0
241.08577	19.6
241.12228	6.7
243.10175	9.7
247.05899	5.7
253.08438	8.8
255.10172	14.4
255.17380	4.7
269.11664	9.2
271.09778	5.5
273.10876	5.5
273.18442	6.8
277.10599	4.4
281.11710	8.3
291.12177	12.7
295.16769	6.0
297.18433	5.0
299.12521	5.5
311.12631	11.1
315.19803	5.5
323.19977	6.1
325.14481	5.8
327.16043	5.6
327.19495	18.6
329.17355	5.1
333.18570	4.8
337.18121	4.9
343.19217	4.9
345.13327	9.1
349.17822	6.9
351.19455	19.9
355.18884	28.8
363.14328	20.1
367.18906	28.6
369.20639	25.1
373.20148	12.5
379.19049	28.9
385.09180	5.2
387.07001	6.6
387.21597	12.5
397.20065	50.0
403.10245	50.8
404.10263	4.9
415.21100	50.3
418.12271	7.0
433.14877	69.1
433.22125	100.0
434.22543	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	433.2217
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35460	3.4
53.03938	10.4
55.01870	30.0
55.05512	47.4
57.03439	8.0
58.12435	2.9
59.04959	2.6
61.57038	2.9
65.03934	7.4
67.05502	52.3
69.03412	12.4
69.07072	27.0
70.07191	6.9
70.07589	16.1
71.04999	6.1
79.05494	55.6
81.03411	10.8
81.07053	100.0
83.04983	10.6
83.08616	18.7
85.02917	9.9
85.06557	5.0
91.05475	62.0
93.03420	3.0
93.07035	42.5
95.01314	14.3
95.04955	20.1
95.08607	37.0
97.06510	6.2
97.10164	13.0
103.05460	8.7
105.03378	3.3
105.07014	50.1
107.04945	12.5
107.08585	18.4
109.06508	19.9
109.10158	13.1
111.08057	3.8
111.81239	2.9
113.02360	6.0
115.05457	12.6
117.07017	28.6
119.04918	5.6
119.08590	32.9
121.06493	11.1
121.10149	15.9
123.04436	7.6
123.08042	8.3
123.11664	6.2
123.68423	2.9
125.02281	6.0
125.09653	5.1
128.06203	17.1
129.07016	30.1
130.07814	4.9
131.04904	13.6
131.08580	26.4
133.06476	15.1
133.10120	22.3
133.49602	3.4
135.04420	10.5
135.08070	10.3
135.11691	10.1
137.09631	5.8
141.01897	3.9
141.06978	9.7
142.07771	5.8
143.08510	15.3
144.05707	5.9
145.06491	18.2
145.10132	18.4
147.04468	6.1
147.08038	13.2
147.11665	22.9
149.02327	4.9
149.05945	5.5
149.09613	8.0
151.03893	5.1
153.06967	6.1
154.07893	4.9
155.08545	14.0
157.06485	12.0
157.10104	13.0
159.04420	8.8
159.08054	15.6
159.11671	10.0
161.06000	8.6
161.09674	9.7
161.13219	3.3
163.03873	9.4
163.07466	6.5
163.11201	5.9
165.06972	6.8
165.12759	6.1
165.58495	3.5
169.04976	5.6
169.06407	4.2
169.10127	9.6
171.04449	9.1
171.08064	7.9
171.11647	5.9
173.06006	12.6
173.09598	10.0
173.13216	4.1
175.03903	12.4
175.07518	5.1
175.11147	10.1
177.05492	6.4
177.09120	5.5
179.08458	3.8
181.06595	4.7
181.10117	7.2
182.07362	3.5
183.08061	6.6
183.11725	7.2
185.06001	10.4
185.09628	18.1
185.13219	4.2
187.03867	9.1
187.07489	11.3
187.11220	7.8
189.05457	14.6
189.09128	8.0
191.07039	4.2
193.10196	4.6
193.12064	3.5
195.08081	3.8
197.06073	5.6
197.09636	9.5
197.13246	4.6
199.03946	14.0
199.07518	10.7
199.11243	7.6
201.05424	6.8
201.09116	17.6
203.07019	11.7
203.10622	4.8
205.08633	3.7
208.08794	4.1
209.09615	6.8
211.07489	4.4
213.05518	9.3
213.09111	11.4
215.07027	9.9
215.10674	6.5
217.04916	5.9
217.08630	13.8
217.12219	7.5
223.11182	5.4
225.09047	5.3
227.07124	5.1
227.10710	8.5
229.08577	6.5
231.10223	8.6
235.06007	11.1
239.10599	6.2
241.08612	13.7
243.10287	7.3
245.11716	9.8
247.06035	4.4
249.07310	3.7
253.12262	4.2
255.10153	13.0
257.19147	4.3
267.10355	6.7
273.11218	5.4
275.20148	16.5
281.11676	3.3
285.11273	4.7
289.10416	3.6
291.12326	7.7
299.12961	4.0
317.13870	4.5
326.78510	3.3
327.19666	10.8
333.13263	3.7
337.18088	5.6
338.91440	3.8
341.21167	4.1
345.13315	14.3
351.19583	12.5
355.19238	20.1
363.14282	32.5
367.19055	13.6
369.20618	12.4
373.20096	6.5
379.19153	15.9
387.22049	5.0
397.20151	36.3
415.21164	49.2
416.21219	5.1
433.22217	81.9
434.22568	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	433.2215
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	5.5
55.01876	19.5
55.05507	53.5
60.43391	4.2
67.05503	32.9
69.03429	5.2
69.07053	16.0
69.32778	3.4
70.05092	17.2
70.05505	5.5
72.59973	4.1
79.05479	38.5
81.03391	10.5
81.07042	38.9
83.08605	19.0
91.05482	33.7
93.03388	5.2
93.07027	25.3
95.04948	15.4
95.08588	17.1
97.02877	3.7
97.10159	25.6
103.05473	5.6
105.03400	5.5
105.07019	23.2
107.04926	10.3
107.08570	12.0
109.02821	4.2
109.06513	6.2
109.10124	5.1
115.05414	8.3
115.35652	3.6
117.06996	15.0
119.04974	4.8
119.08556	14.1
121.02863	9.6
121.06487	7.1
121.10075	5.4
123.04418	8.7
123.08074	5.6
123.50843	3.6
125.02373	5.0
125.09620	12.7
128.06213	6.8
129.07022	21.7
131.04927	7.5
131.08539	15.7
133.06483	7.8
133.10121	11.3
135.04395	10.6
135.08040	11.0
135.11604	4.2
139.03848	5.8
141.06981	10.0
142.07761	4.4
143.08521	16.7
145.06430	12.6
145.10118	13.0
147.04387	10.6
147.08041	8.7
149.02382	4.0
151.03899	4.2
152.06145	5.4
153.06963	6.3
155.08542	12.6
156.09377	4.5
157.06494	10.0
157.10085	15.8
159.04427	6.4
159.08018	9.3
159.11606	5.1
161.05954	13.2
163.03918	22.2
167.08519	10.4
167.30743	4.1
169.04965	6.0
169.06395	5.3
169.10095	8.4
171.08044	11.3
171.11635	14.4
173.05905	8.1
175.03979	17.4
175.07578	4.3
177.05414	7.6
179.08549	7.4
181.10103	10.5
183.08104	8.6
183.11662	7.5
185.05984	5.6
185.09598	9.5
187.07520	6.4
187.11168	5.7
189.05458	11.6
191.06876	5.0
195.08057	4.7
197.09587	11.4
199.07529	5.0
199.11159	21.9
201.05522	5.5
201.09070	10.4
201.12781	4.5
203.10664	6.9
209.09685	5.5
211.11151	5.9
213.09044	9.5
213.12781	3.9
215.07072	5.9
215.10677	6.3
217.04991	5.1
217.12251	7.2
221.04512	5.3
222.43680	4.2
223.11166	5.0
224.19731	3.7
225.09190	5.2
227.10612	15.9
229.08824	4.3
229.12068	5.0
231.10095	4.9
235.05905	26.0
237.09047	5.0
239.10512	5.8
241.12222	5.4
243.10193	7.3
245.11688	22.2
247.06062	4.2
253.12221	4.1
255.10156	6.5
257.19241	4.0
261.11197	9.1
267.10107	5.9
269.11703	5.3
273.11127	6.3
275.20041	3.9
281.11722	5.3
283.13593	3.9
285.11249	7.0
287.12930	6.1
289.10617	5.1
299.12781	13.3
303.12256	5.8
305.13989	4.0
317.13803	13.0
325.17773	6.2
327.12192	9.0
327.19501	10.2
333.13208	13.0
337.17755	4.2
341.16995	4.3
345.13254	44.4
347.14911	4.4
351.19437	11.9
355.18970	16.1
363.14343	100.0
364.14584	8.4
367.19208	4.8
369.20584	10.3
373.19922	4.2
379.19037	29.6
387.21597	7.4
397.20078	63.5
398.20319	7.4
415.21133	92.6
433.22427	25.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1742
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03902	0.9
53.35665	0.6
55.01849	0.9
55.05490	3.2
56.05011	2.0
57.03418	2.9
58.58204	0.6
58.99300	1.3
58.99579	18.1
60.04506	0.9
61.01149	1.7
61.77445	0.7
63.47337	0.7
68.99786	0.7
69.03417	3.8
69.07047	1.6
70.06587	5.0
72.08139	3.0
73.01115	2.3
74.00628	0.9
76.02219	11.6
76.03983	3.4
79.05492	4.0
80.05016	0.9
80.77152	0.7
81.07043	25.8
82.06553	0.6
83.06084	2.5
84.04494	28.5
84.08126	2.9
84.56789	0.8
85.02892	1.4
86.00645	3.6
86.09693	5.6
86.98542	1.3
86.99036	14.0
87.02679	1.3
88.02211	4.1
91.05450	1.6
95.04910	0.7
95.06083	5.2
95.08572	1.4
97.01086	1.0
97.06511	1.5
98.09628	1.4
99.08081	7.3
102.05497	1.0
103.05452	14.1
105.00112	0.8
105.07009	2.4
108.08083	3.1
110.07143	1.3
113.01693	0.9
113.04214	2.6
114.03708	1.6
115.02111	1.0
116.01663	65.6
116.07076	0.7
120.08104	0.9
122.09637	2.6
127.05851	0.9
129.06552	3.4
129.10234	1.3
130.04977	6.1
131.04904	25.7
132.08130	0.8
133.06461	1.0
135.04401	1.6
136.07564	0.7
137.02318	2.6
137.05951	1.7
139.05722	2.2
140.05315	1.2
140.10724	0.9
141.10194	0.9
142.03180	3.1
142.58226	0.7
144.01126	28.4
145.06041	1.0
147.04399	1.2
151.07475	1.9
156.08414	7.2
157.06772	5.5
159.09123	0.9
160.07892	1.1
161.02356	1.3
161.05963	2.3
162.02180	100.0
163.02457	0.8
163.03809	0.7
163.07545	5.4
165.01851	3.4
167.02045	0.7
167.03383	1.7
167.05257	1.5
171.10460	0.9
174.09485	2.8
177.01816	0.9
179.03348	1.2
183.02904	1.1
183.09488	1.1
184.07906	17.0
185.08105	1.0
195.02931	1.2
201.10541	32.9
202.10883	1.5
216.06796	1.0
245.06123	1.6
246.82524	0.7
257.85718	0.6
259.11026	0.9
260.09555	6.7
283.05951	4.8
284.06686	1.4
286.04623	1.5
287.05453	1.9
287.10562	31.4
295.06015	0.7
297.07504	2.6
299.05460	13.6
300.06039	4.9
301.06039	2.9
304.13226	35.4
311.05530	2.7
312.13785	0.8
313.07056	4.1
323.09195	1.5
325.06992	5.7
326.07117	1.1
327.07892	1.5
329.06506	16.0
337.07043	3.0
340.13312	2.4
351.08521	3.8
353.06448	8.7
354.06790	0.9
355.07162	2.6
358.14246	13.9
361.06821	1.5
370.14310	1.3
379.08044	10.8
385.08395	1.1
397.09116	22.4
397.14404	1.1
398.09497	1.1
415.10193	4.2
415.15222	1.0
433.10934	3.9
433.17334	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	433.1678
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05493	0.9
56.05035	1.5
60.04510	2.5
60.05638	4.1
67.46866	0.8
69.03423	2.0
69.07063	3.7
70.06585	41.4
71.04985	1.5
71.74667	1.1
72.08144	16.2
74.06065	1.8
81.03401	1.4
84.04493	12.4
84.08136	5.7
85.02884	4.9
86.09702	17.7
87.05592	2.1
87.10030	0.9
88.03973	1.1
91.05457	9.6
95.06068	1.2
97.02876	2.6
98.98419	1.4
99.04483	1.0
102.05509	1.2
103.05450	3.3
110.07140	3.9
112.08720	9.0
113.07112	1.6
114.09197	1.4
114.10217	1.1
115.08683	5.0
116.07086	12.2
120.08089	61.2
121.08408	1.7
127.03905	2.2
129.10214	3.3
130.06519	0.9
130.09760	2.0
131.04918	3.8
132.04454	1.9
137.05911	1.2
145.04970	1.7
158.09238	17.3
159.09229	1.0
159.11259	5.9
161.06062	1.1
163.07591	2.4
171.45245	0.8
173.12852	3.6
175.11917	8.5
186.09081	6.4
187.10739	2.7
190.09763	2.9
201.12357	2.2
231.11270	14.1
233.11386	1.6
247.12930	3.2
255.12206	0.8
259.10623	0.9
283.05917	2.7
292.35629	0.9
300.19211	1.0
305.15948	1.0
313.07016	2.9
329.06699	1.2
337.07266	1.3
363.08960	2.5
365.10526	4.8
373.18719	1.1
397.09393	1.8
416.19257	2.4
433.16693	100.0
433.21994	58.0
434.17593	5.1
434.22534	1.7
455.13669	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1487
Annotation	17245-30-6
Peak:m/z	Relative Intensity
53.03901	1.3
55.01808	4.4
55.05470	1.3
56.04965	1.1
59.73969	0.6
62.17490	0.6
65.03869	5.2
67.01804	0.7
67.05434	3.3
68.99734	0.8
69.03355	1.9
69.07012	0.9
69.64949	5.1
70.06514	4.2
71.04925	1.2
72.08141	6.5
74.06013	1.5
77.03888	0.8
78.04656	1.4
79.05482	3.5
81.03341	1.3
81.06982	1.3
82.04124	2.0
83.04913	0.8
84.04445	1.9
84.08057	3.3
85.02900	5.8
86.09698	9.2
87.14018	0.7
91.05463	7.7
93.03356	1.1
93.06968	0.9
95.04952	8.6
95.08547	0.9
97.02804	2.0
97.06453	2.2
98.05946	0.8
98.09679	0.6
99.04395	0.8
103.05455	10.1
105.07023	4.6
106.04140	1.3
107.04951	5.7
107.08495	0.8
108.02037	0.7
109.02824	1.0
109.10056	0.7
110.03590	1.9
111.04407	1.7
115.05360	1.9
117.06878	1.1
119.04929	10.0
120.08072	0.8
121.02861	3.4
121.06434	0.9
123.00767	0.8
123.04417	9.4
124.05109	1.9
125.05894	2.5
127.03868	1.4
129.10181	1.1
130.04951	0.7
131.04910	14.5
133.06494	4.3
135.04398	1.0
137.02251	2.2
137.05865	2.2
138.03116	1.4
140.04655	4.5
142.02538	2.3
145.06436	0.8
145.10117	0.7
147.04391	7.0
147.11314	1.1
149.05869	1.4
151.03810	1.1
152.04631	1.1
153.00737	0.7
153.01817	4.9
155.06993	3.6
159.04341	0.8
161.05960	6.0
163.03772	1.0
163.07431	2.8
167.07022	46.8
168.07330	1.0
171.02835	0.8
171.06551	5.3
173.05930	1.8
173.12981	0.9
175.03886	12.0
177.05426	2.0
181.04942	67.8
182.05231	1.4
183.06444	2.8
187.14421	0.9
189.05423	1.5
191.07056	3.2
193.08513	2.8
201.12297	1.0
203.03299	2.1
203.07024	0.8
205.08525	1.1
207.06512	21.5
209.07957	1.0
210.87674	0.7
219.06451	1.3
221.08025	3.0
225.05380	0.8
233.07927	1.3
249.07549	13.9
251.09081	3.5
252.69524	0.6
271.05988	100.0
272.06360	5.3
272.11118	1.0
283.05957	4.3
287.05423	3.7
299.05426	3.7
299.08450	0.7
300.06238	3.0
301.06134	1.1
313.07010	4.0
319.11716	1.0
321.07477	2.0
329.06561	5.6
337.07077	1.7
349.07251	3.1
353.06479	1.0
361.07205	0.9
361.75754	0.7
367.08264	1.3
377.93341	0.7
379.08121	1.1
397.09229	4.4
403.13724	8.0
415.10172	2.5
433.10352	2.6
433.15063	42.1
434.15512	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1128
Annotation	Isovitexin
Peak:m/z	Relative Intensity
50.15015	0.6
53.03934	0.6
55.01874	1.1
56.67635	0.6
57.03432	1.1
64.67029	0.5
64.92632	0.5
68.99789	1.2
69.03391	1.1
69.66822	3.2
69.67234	1.1
70.06576	1.0
72.08143	2.3
79.05482	0.6
81.03404	2.1
84.08131	0.8
85.02893	3.8
86.09699	1.9
89.05976	0.6
91.05457	3.7
95.04963	0.8
97.02894	1.1
98.20789	0.9
103.03889	0.6
103.05422	0.6
104.96563	0.7
107.04925	2.9
109.02872	2.3
113.24216	0.5
119.04929	7.8
121.02852	10.0
121.06448	0.5
123.04403	0.7
131.04906	1.1
133.15233	0.6
137.02324	1.1
141.01823	1.7
145.02835	2.5
145.06517	0.6
147.04427	1.3
149.02347	1.1
149.05974	1.1
153.01842	2.1
163.03871	3.7
165.01842	13.6
167.03394	3.1
167.07036	1.1
177.01851	2.1
179.03418	0.7
181.04941	2.3
183.02890	9.2
187.03917	1.7
189.01816	0.5
191.03407	1.9
195.02879	4.8
203.03354	0.7
205.04968	1.3
207.02934	1.2
214.74110	0.5
215.03346	1.0
219.02882	1.9
221.04558	0.6
229.04915	1.2
231.02846	0.9
233.04395	1.1
239.06960	1.9
243.02982	0.9
249.03830	0.9
255.06415	1.5
256.07254	1.3
261.03922	2.2
267.06531	7.6
270.05139	2.9
271.05975	9.3
279.06519	1.1
281.08066	7.8
283.05991	100.0
284.06674	9.9
285.07407	1.1
293.07910	0.7
294.05020	0.9
295.06027	11.3
295.09534	1.9
297.04364	0.7
297.07516	3.6
301.07031	0.6
305.07938	3.3
307.05997	2.3
308.06802	1.6
309.03998	2.0
309.07507	19.4
310.07614	0.9
311.05557	1.7
313.07037	60.3
314.04318	0.6
314.07504	2.3
321.07672	3.1
323.05420	1.5
323.09103	15.8
323.12778	1.2
324.09653	0.8
325.06909	1.2
333.07553	3.0
335.05487	1.1
337.07040	33.1
338.07391	1.4
349.07022	11.2
351.08597	3.8
355.08121	0.7
361.07056	8.6
367.08102	19.1
368.08249	0.9
379.08099	17.7
397.09183	17.7
397.14490	1.0
398.09451	0.8
415.10196	10.1
433.11121	8.7
433.16693	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	433.1126
Annotation	LMPK12110338
Peak:m/z	Relative Intensity
51.34407	0.7
53.03931	1.8
53.94397	0.9
55.01865	2.1
55.05505	1.9
57.03421	2.8
59.05006	1.1
61.02915	5.6
63.02398	0.8
65.03934	1.0
67.05493	2.5
68.99784	1.7
69.03429	4.4
69.07059	3.0
69.78552	2.2
69.78963	4.9
70.06581	5.2
71.04980	4.0
71.47511	0.9
72.08154	4.2
73.02904	2.4
77.92838	0.9
79.05479	2.3
81.03400	3.9
81.07037	3.2
83.01335	2.9
83.04975	0.9
84.04485	0.9
84.08131	2.5
85.02909	7.4
86.09690	2.5
91.03953	4.0
91.05482	3.0
93.07038	3.4
95.04955	4.7
95.08609	2.9
97.02865	4.6
97.06536	1.2
97.07650	1.7
98.21420	1.7
99.04433	2.6
103.05444	2.1
105.03380	25.2
105.04472	1.0
105.07014	5.3
107.04948	2.9
107.08592	5.6
107.90529	0.7
109.02879	3.2
109.06506	1.2
109.10137	4.4
111.08057	1.2
112.08720	2.9
113.06008	1.3
114.10290	9.6
119.04944	2.1
119.08559	4.4
121.02872	3.3
121.10144	4.0
123.04405	1.4
123.08098	1.1
125.09610	2.1
127.03894	2.2
127.11157	2.0
129.03357	1.2
131.04944	1.0
131.08574	1.2
133.06505	1.4
133.10095	2.7
135.04507	1.1
135.11699	1.5
137.02341	1.7
137.09590	3.0
139.11153	1.2
145.04916	2.0
145.10120	2.8
147.04395	2.0
147.11678	4.0
149.09581	1.2
153.01823	2.3
153.12701	2.1
155.07095	1.1
157.10123	1.7
161.02280	2.0
161.09599	1.2
163.04016	1.2
163.05873	0.9
165.01860	3.8
165.12691	1.2
167.07037	5.6
167.10669	2.5
169.01360	1.1
175.03909	2.9
175.14810	2.9
179.03392	1.6
181.01312	7.2
181.04935	11.2
182.02069	1.5
183.02881	4.7
186.01588	1.1
189.16415	2.6
191.03415	1.0
193.01292	1.9
193.15829	1.8
195.02715	1.1
199.02341	8.9
200.03253	1.6
203.03391	3.6
207.02817	1.5
207.06479	2.2
211.02330	1.9
217.01378	1.0
217.04927	1.7
217.15912	3.8
221.04482	3.7
221.08121	1.3
231.02739	1.2
232.02869	1.1
233.04442	1.7
235.16920	7.8
239.06953	1.6
241.04778	1.3
249.07445	1.6
249.18925	0.9
253.05107	4.3
253.17970	2.7
255.06506	1.7
256.60049	1.0
263.07068	1.3
267.06516	6.6
269.04306	1.4
270.05206	18.5
271.05887	5.2
277.03333	1.0
277.08548	1.1
279.06561	1.7
281.04437	3.7
281.07953	2.8
283.05991	100.0
284.06693	11.7
285.07233	1.6
293.07883	1.0
295.06021	11.0
296.06720	0.9
297.04556	0.9
297.07498	4.4
299.05515	3.5
305.08029	3.0
307.06039	2.5
308.06784	2.3
309.07526	14.8
311.05457	1.5
313.07034	84.1
314.07419	3.8
319.09576	2.6
321.07532	2.7
323.09116	11.8
325.07050	3.5
329.06537	5.2
331.09558	1.4
333.07529	3.7
337.07031	38.8
338.07440	1.0
349.06982	11.1
349.10742	1.5
351.08685	4.6
353.06525	3.3
359.08865	1.4
361.06964	8.5
367.08090	24.9
368.08319	1.2
379.08102	23.5
380.08688	1.1
387.08484	2.1
397.09125	26.8
397.21985	1.9
398.09494	1.9
403.13910	2.1
405.09262	2.0
415.10300	19.9
415.23074	4.0
433.10117	10.1
453.34219	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1129
Annotation	8-C-beta-D-Galactopyranosylapigenin
Peak:m/z	Relative Intensity
53.03932	1.4
55.01870	1.8
55.05491	1.5
57.03436	1.1
65.03922	1.2
68.99782	1.7
69.03423	5.3
70.92583	1.2
70.92954	3.2
71.07609	1.3
79.01827	2.7
79.05466	1.7
81.03424	3.0
81.07025	2.9
82.45191	1.0
83.04948	1.2
85.02891	4.2
87.79648	1.0
91.05489	2.5
93.07042	1.6
95.04935	2.4
95.08569	2.9
105.07042	2.3
107.08566	2.0
109.02866	1.3
111.04456	1.6
117.06998	1.1
121.02888	1.9
121.10145	1.5
123.04377	1.6
123.53738	1.1
127.03907	1.2
130.62811	1.1
133.10136	2.2
135.04399	4.9
136.05174	1.2
137.02327	18.0
137.05948	2.9
141.01758	1.7
147.04428	1.5
149.02315	1.3
151.07538	1.2
153.01872	1.1
161.02318	2.6
161.06056	1.9
161.13205	1.6
163.03885	2.8
165.01839	5.8
167.03409	2.3
167.07013	4.5
175.03987	1.2
179.03360	3.5
181.04927	7.9
183.02882	3.3
189.05385	1.3
201.05383	1.6
203.03412	1.7
217.04892	1.7
219.06522	5.8
221.07878	1.6
227.06953	1.8
229.04921	4.4
237.07536	1.2
243.06450	4.3
245.04378	4.1
259.05847	1.5
261.07452	2.8
263.05511	3.9
271.05930	9.0
271.19052	1.4
272.06741	9.1
282.36890	1.0
283.05972	19.2
284.06705	2.0
287.05453	4.3
295.05902	2.6
297.07407	2.8
299.05463	53.6
300.06201	42.7
301.06598	2.3
309.07571	2.8
311.05432	14.6
313.03378	2.5
313.06992	34.0
314.07443	2.0
323.05588	1.2
323.09143	3.1
324.06079	2.7
325.06989	12.7
327.04904	2.3
327.08432	2.1
329.06516	98.2
330.06775	3.3
335.09012	5.6
337.07074	9.7
339.04926	6.1
341.06412	8.2
341.10184	2.1
343.08102	5.8
349.07047	1.6
351.08627	10.0
353.06512	42.7
354.06641	1.9
355.08286	1.5
359.07520	7.2
361.06918	2.9
367.08249	3.4
369.09686	3.8
371.07489	3.7
379.08075	24.0
397.09143	100.0
397.43173	1.1
398.09415	4.1
403.13638	1.9
415.10181	61.0
416.10602	1.9
433.11179	75.2
434.11539	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1125
Annotation	Galanginin
Peak:m/z	Relative Intensity
50.11578	0.7
55.01872	1.0
56.23694	0.7
62.01337	0.7
64.53592	0.7
66.94850	0.8
67.01854	1.4
68.99769	1.8
69.03419	15.2
69.51910	3.2
69.52345	4.0
70.06590	4.7
74.06089	0.9
79.01822	0.8
79.05479	1.3
81.03394	1.8
83.04937	1.0
84.08117	1.3
85.02896	1.8
86.09688	2.4
91.05450	0.9
95.04951	1.6
98.20657	0.9
103.05447	1.9
104.37685	0.7
107.04985	1.5
107.08635	0.8
109.02851	1.3
110.07208	1.0
111.04428	1.7
115.05419	1.1
119.04922	2.0
120.08080	2.3
121.02831	2.1
131.04887	2.4
135.04378	6.9
137.02321	17.7
137.05931	2.1
141.01807	1.7
145.02847	1.5
147.04305	0.9
149.02318	2.1
153.01816	4.7
159.04376	1.3
161.02321	4.6
161.06004	1.9
163.03859	3.8
164.34872	0.7
165.01833	12.7
167.03392	3.5
167.07043	1.1
171.04466	1.4
175.03894	0.9
177.01909	0.9
179.03412	2.7
181.05034	1.8
183.02887	7.4
183.04445	1.4
189.05522	0.9
191.03348	1.9
195.02834	2.1
201.05553	2.1
203.03403	2.7
217.04953	2.2
218.05562	0.9
219.06459	1.1
221.04391	1.0
227.03366	1.5
227.07030	1.0
229.04880	1.6
243.06523	2.4
245.04448	4.4
255.06380	1.5
258.05145	0.9
259.05869	0.9
263.05389	1.8
267.06427	1.3
271.05972	95.4
272.06573	6.7
277.08582	1.2
283.05978	10.2
284.06540	1.0
286.04672	4.6
287.05429	9.5
289.03387	1.0
295.06152	1.2
297.07590	5.7
299.05453	64.2
300.06210	21.4
301.06650	2.3
308.06781	1.2
309.07513	2.1
310.04779	1.0
311.05432	14.1
313.03500	1.5
313.06976	14.3
323.05588	1.5
323.09088	3.1
325.03513	1.4
325.07016	18.9
327.04987	1.7
327.08542	3.5
329.06516	87.4
330.06866	3.5
333.07507	0.8
335.09055	3.7
336.06201	0.9
337.06995	11.4
339.04956	2.8
341.06494	1.8
341.10193	1.0
343.08310	0.9
351.04779	0.8
351.08578	18.2
351.12527	0.8
353.06494	34.5
354.07129	1.9
355.08286	2.6
357.17361	0.8
359.07693	2.0
359.99432	0.7
361.06912	5.5
369.09280	1.5
371.07907	0.9
379.08066	45.1
380.08426	1.9
394.67252	1.0
397.09140	100.0
398.09540	4.9
415.10168	20.7
433.11261	25.6
433.15829	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1126
Annotation	8-C-Rhamnopyranosylluteolin
Peak:m/z	Relative Intensity
53.30418	0.9
55.30096	0.8
57.92089	0.9
59.96040	1.0
64.89449	0.8
68.99790	1.7
69.03429	12.1
70.88790	2.4
72.17619	0.7
107.04915	1.1
135.04408	3.5
137.02325	9.1
138.55389	0.9
141.01810	1.1
149.02350	2.8
161.02330	2.6
163.03889	1.9
165.01823	8.3
167.03383	3.2
177.01874	1.2
179.03375	3.4
183.02936	3.4
189.05469	1.0
195.02899	1.6
203.03392	1.8
211.57664	1.0
217.04999	1.5
221.04301	1.6
243.06487	2.0
245.04411	2.6
274.47891	1.1
283.05966	6.5
286.04633	3.9
287.05499	5.2
289.03378	1.7
297.07565	5.5
299.05484	46.5
300.06207	9.5
311.05408	12.7
313.03677	1.2
313.06931	4.3
323.09009	1.4
325.07022	19.3
326.07358	1.0
327.08493	2.1
329.06537	82.4
330.06781	3.0
335.09180	1.9
337.07001	8.1
339.04813	1.3
350.33603	0.9
351.08603	15.2
353.06528	41.3
354.07016	2.9
355.07932	1.5
361.06967	1.9
369.09549	1.2
371.07489	1.1
379.08109	44.8
380.08423	3.0
397.09164	100.0
398.09518	7.1
415.10236	8.7
416.10672	0.9
433.11261	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	433.1128
Annotation	8-C-beta-D-Galactopyranosylapigenin
Peak:m/z	Relative Intensity
55.74786	0.7
67.14569	0.7
68.99771	1.7
69.03046	1.1
69.03423	16.5
70.45613	2.7
70.45987	1.4
81.03378	0.9
97.17540	0.7
98.21418	0.9
107.04935	1.4
109.02816	0.7
111.04420	1.7
114.83566	0.7
115.31692	0.8
119.04918	1.5
121.02857	2.3
135.04427	4.2
137.02335	12.1
141.01804	1.9
147.04417	1.2
149.02303	2.6
161.02322	3.5
163.03934	2.7
165.01811	15.4
167.03380	2.7
167.07059	1.1
171.04393	1.0
175.03932	0.8
177.01744	1.7
179.03415	2.5
181.04916	2.7
183.02869	4.3
189.05403	1.1
191.03419	2.6
195.02914	2.8
199.03946	1.2
201.05521	1.1
203.03391	2.8
217.04958	3.0
221.04446	2.1
245.04407	3.8
255.06439	1.8
267.06403	1.2
271.06100	2.2
272.06766	1.3
281.08154	1.0
283.05988	23.2
284.06631	2.1
286.04688	3.5
287.05417	6.0
289.03381	0.9
295.05975	2.0
297.07513	10.0
299.05463	57.6
300.06201	8.5
301.06619	0.8
308.06775	1.3
309.07584	4.1
310.04703	1.3
311.05460	10.9
313.03513	2.0
313.07007	15.9
323.05603	1.4
323.09128	3.7
325.03531	1.6
325.07010	27.1
326.07471	1.4
327.05209	1.0
327.08661	3.3
329.06519	61.6
330.07062	1.5
333.07410	1.5
335.09116	2.0
337.07019	15.8
338.07748	1.0
339.04846	1.9
340.66730	0.8
341.06500	1.2
351.08609	19.0
352.08893	1.4
353.06528	34.7
354.07007	1.5
355.08054	3.2
361.06973	4.3
367.08185	3.0
369.09549	1.2
379.08090	53.4
380.08344	2.1
395.10095	0.9
397.09143	100.0
398.09409	3.4
415.10156	13.5
433.10831	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	433.1127
Annotation	8-C-beta-D-Galactopyranosylapigenin
Peak:m/z	Relative Intensity
54.67960	0.9
61.02923	1.0
68.99786	2.8
69.03047	1.3
69.03422	20.5
70.74023	3.8
81.03432	1.5
92.18623	1.1
95.04959	2.1
111.04448	1.5
121.02836	1.2
131.04904	1.1
135.04398	4.7
137.02335	16.0
141.01794	1.9
147.04390	1.8
148.76054	1.0
149.02356	2.7
156.48740	1.0
161.02330	6.1
163.03880	6.9
165.01810	17.1
167.03423	4.8
177.01852	3.0
179.03409	4.8
181.04839	2.2
183.02869	6.5
191.03424	4.1
195.02899	2.7
199.03923	1.2
201.05431	1.8
203.03339	2.1
217.05014	3.6
227.03302	1.8
238.03448	1.2
242.23573	1.1
245.04349	3.5
271.05975	2.1
283.06000	12.2
286.04755	4.8
287.05457	7.5
289.03491	2.4
295.05865	1.3
297.07571	15.0
299.05460	61.8
300.06192	14.8
301.06726	1.4
302.75299	1.0
310.04684	3.0
311.05502	18.5
313.03717	2.0
313.06973	10.1
323.05588	2.5
323.08994	2.5
324.06113	1.7
325.07034	47.2
327.08560	3.8
329.06528	77.2
330.06741	1.6
335.09076	1.2
337.07010	10.2
339.05087	1.5
341.06418	2.0
351.08630	18.4
353.06525	81.7
354.06976	2.7
355.08057	2.4
361.07022	3.2
379.08084	48.1
380.08496	2.0
397.09146	100.0
398.09406	3.0
403.05746	1.6
415.10062	12.9
433.11374	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	433.1123
Annotation	Isovitexin
Peak:m/z	Relative Intensity
51.20417	0.8
55.01849	1.4
57.03421	1.2
68.99799	1.3
69.46638	0.8
69.48633	8.0
69.49044	2.5
81.03423	1.1
85.02898	1.4
89.80653	0.8
93.80726	0.8
98.20610	1.8
109.02881	1.6
119.04925	5.1
121.02856	7.6
141.01846	2.2
145.02826	2.4
149.02295	2.0
163.03908	4.1
165.01819	15.1
167.03412	3.8
177.01817	1.8
177.05472	0.9
179.03242	1.0
183.02798	5.3
187.03923	1.9
189.01822	1.0
191.03391	1.4
195.02917	1.5
205.05113	1.4
229.05052	1.5
231.41840	0.9
239.06874	1.0
243.02885	1.4
267.06525	8.6
270.05209	3.5
270.49255	0.9
271.05960	7.4
279.06525	1.6
281.07990	8.4
283.05975	100.0
284.06656	9.9
293.08060	1.0
295.05997	9.6
295.09628	3.4
297.07578	2.8
298.57394	1.4
305.07974	3.5
307.06003	2.0
308.06726	1.8
309.04004	2.0
309.07520	20.4
309.10919	1.5
313.07031	60.8
314.07550	1.4
321.07523	2.5
323.09100	14.7
333.07507	4.6
334.97952	0.8
337.07019	32.7
337.10992	2.2
349.07025	10.1
351.08621	2.5
352.38925	1.0
361.07098	9.0
367.08112	18.9
379.08151	18.2
397.09067	17.6
415.10208	8.5
433.11365	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1128
Annotation	LMPK12110194
Peak:m/z	Relative Intensity
52.94238	1.0
55.01890	1.7
58.99584	3.4
68.99812	1.8
69.03445	1.8
69.54837	10.9
72.08173	1.4
76.02222	2.1
77.52609	1.1
81.03409	1.3
81.07044	5.6
84.04506	4.3
85.02901	1.4
86.99068	2.3
89.06033	3.8
90.06338	1.2
97.46894	1.1
97.58836	1.2
98.20701	1.6
99.08111	2.3
114.10268	1.3
116.01674	11.0
121.02888	2.6
129.06541	1.4
133.08565	2.4
137.02354	8.6
144.01144	5.8
162.02173	22.0
163.03923	1.5
165.01898	3.0
165.07092	1.3
166.02182	1.2
167.02254	1.4
167.07072	2.0
176.44217	1.2
184.03342	1.3
184.07968	5.1
187.03975	1.4
201.05602	1.9
201.10591	7.9
211.07489	1.6
227.70039	1.3
229.05067	4.1
239.07025	3.3
253.08629	1.5
255.06525	13.1
256.07297	4.3
260.09653	1.8
267.06577	5.4
268.07254	1.8
270.05316	4.4
271.05945	13.2
279.06522	8.3
280.07449	1.7
281.08087	8.3
283.06003	100.0
284.06735	36.3
285.07434	6.6
287.10641	9.4
293.08133	2.2
295.06104	12.6
295.09732	7.2
297.07486	20.3
299.05310	7.9
299.08395	1.5
300.05878	5.6
301.05997	16.3
304.13351	5.1
305.08176	3.2
307.06052	2.1
308.06772	7.7
309.07513	11.6
311.05621	3.7
313.07056	79.8
314.07422	2.3
321.07574	8.5
322.08392	1.7
323.05536	3.9
323.09076	31.4
325.07025	5.8
326.07062	1.8
327.07794	7.6
333.07538	3.4
337.07056	22.0
338.07361	1.8
341.09299	3.2
343.08118	2.6
349.07153	10.3
351.08484	10.7
353.06543	2.1
355.07175	11.0
358.14352	2.3
361.06921	1.9
367.08017	18.9
368.08517	1.4
379.08002	21.1
385.08191	6.4
397.09085	34.5
398.09811	1.9
415.10172	47.3
416.10312	2.3
433.11282	62.5
434.11746	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.2589
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.7
55.01866	3.6
55.05504	9.4
56.05025	13.1
57.03422	6.2
57.07051	1.8
58.06595	11.0
58.99576	10.3
59.80093	1.5
61.02920	3.1
67.05508	10.2
69.03427	25.4
69.07062	10.7
70.06604	10.6
70.88338	4.4
71.04991	7.5
72.08143	5.7
73.01119	1.8
73.02901	2.0
74.00653	1.5
74.06081	3.6
76.02221	7.0
76.03999	3.3
79.05499	8.6
80.05009	1.8
81.03424	6.9
81.07047	26.4
82.06567	2.4
83.04995	8.2
83.08615	3.5
84.04492	15.6
84.08132	7.9
85.02903	26.0
85.06517	1.8
86.00645	2.1
86.06059	3.8
86.09689	10.0
86.99043	9.4
87.04456	3.8
88.02193	3.5
91.03923	2.1
91.05457	9.5
91.73186	1.8
93.07033	16.5
94.06564	3.3
95.01313	9.4
95.04975	8.7
95.06075	3.8
95.08596	22.0
96.08096	7.9
97.02892	8.9
97.06534	4.4
98.06052	2.3
98.09702	10.3
99.04459	12.0
99.08088	3.9
102.03741	2.0
102.05526	2.6
103.05438	7.0
105.07036	12.0
107.04957	2.9
107.08580	18.3
108.08103	7.5
109.02869	3.3
109.06504	10.3
109.10132	20.1
110.06039	3.2
110.09676	11.9
111.04490	1.7
111.08072	3.9
111.56290	1.2
112.11237	2.7
113.04211	3.6
113.05939	2.1
113.09689	1.4
114.05531	2.2
116.01665	39.1
117.07011	4.6
119.04904	2.0
119.08579	13.5
120.08096	2.9
121.06483	4.0
121.10139	11.9
122.09666	4.6
123.08050	5.0
123.11712	4.1
124.07526	2.0
124.11260	2.6
125.05977	5.1
125.09653	3.0
127.03887	8.6
129.06592	1.5
130.05013	2.7
131.04910	11.1
131.08569	5.9
133.06502	1.7
133.10120	16.0
134.09612	2.8
135.08064	4.8
135.11699	11.5
136.11195	1.5
137.02335	2.3
137.05949	10.3
137.09607	12.7
138.09143	2.8
139.07526	10.9
139.11182	1.8
142.03227	2.9
143.08539	2.2
144.01126	18.7
145.04993	2.6
145.10120	3.5
147.08018	2.2
147.11676	5.1
148.11189	1.5
149.05994	1.7
149.09625	2.6
149.13251	4.0
150.12788	4.4
151.11221	2.4
153.09151	6.8
156.08449	6.4
157.06833	3.6
159.11708	9.0
161.06041	1.6
161.12059	1.7
161.13272	5.4
162.02185	61.7
163.07487	2.0
163.14806	3.7
165.01823	2.0
165.12738	2.0
167.05278	1.9
167.07025	11.7
173.13268	9.1
175.11147	2.1
175.14809	8.6
177.12776	2.3
178.12329	4.1
179.04768	6.7
179.10703	7.4
181.04996	4.1
184.07948	8.7
185.08098	5.9
186.07613	2.6
187.06015	2.9
189.12747	2.4
190.15913	1.8
191.14261	9.7
193.08583	1.8
193.15869	8.9
195.13812	2.0
200.63893	1.4
201.10550	12.1
204.08612	11.9
205.06532	1.6
208.16948	3.2
209.15352	7.5
216.17371	9.6
217.15907	2.4
222.09673	10.3
226.18054	3.1
227.09097	8.3
234.18506	61.7
235.16936	13.3
235.18990	2.7
237.07642	2.0
252.19565	86.5
253.20020	2.9
255.08646	5.0
260.09482	2.9
270.20602	13.3
271.06027	3.9
283.06073	2.5
283.86273	1.6
287.10580	17.9
299.05594	4.5
300.05798	6.9
304.13171	15.1
308.25659	2.1
312.05893	2.4
313.07196	4.5
325.06833	1.9
326.07401	2.3
329.06723	3.4
337.07224	1.7
349.07101	2.0
350.06940	1.4
353.06818	2.1
354.06775	2.6
358.14310	4.6
366.06638	1.8
396.07935	3.8
396.23883	1.9
397.08987	4.0
414.09058	2.7
414.24820	53.5
415.10040	1.7
415.24792	2.8
432.25955	100.0
432.38062	3.1
433.13043	20.0
433.26392	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	432.1498
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	0.2
52.97812	0.1
53.03931	0.2
55.05507	0.2
57.03422	0.4
59.04987	0.3
60.04513	0.2
61.02916	0.6
61.94533	0.1
65.03929	0.4
65.67737	0.2
69.03430	1.2
70.06581	0.7
71.04987	0.4
71.73695	0.2
72.08157	0.8
72.68900	0.2
73.02919	0.2
73.04736	0.2
73.23159	0.1
74.06080	0.2
81.03404	0.7
84.04487	0.2
84.08139	0.4
85.02896	4.3
86.03179	0.2
86.09689	0.6
88.78939	0.1
89.06030	2.0
91.03966	0.2
91.05470	4.3
97.02892	1.2
99.04424	0.2
107.04942	0.2
109.02853	0.5
116.07088	0.2
119.04935	14.2
120.05277	0.4
120.08132	0.1
120.76867	0.2
124.07587	0.7
126.74831	0.1
127.03906	0.6
131.04884	0.2
133.08585	0.7
136.07561	0.2
138.09120	0.2
141.10249	0.2
145.04936	1.0
147.04399	100.0
148.04733	3.0
177.11223	0.3
181.04984	0.2
195.12253	1.1
198.05533	0.3
200.13942	0.2
201.12503	0.2
216.06563	0.2
234.07574	0.5
252.08675	0.3
253.16441	2.6
270.13309	0.2
271.06067	0.3
283.05991	0.3
289.68021	0.2
313.07056	0.2
337.07272	0.3
425.87836	0.2
432.18698	0.2
433.16644	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.1496
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03419	0.4
61.02915	0.4
65.03925	0.6
69.03416	1.1
69.76939	1.7
70.06583	3.3
74.20552	0.3
81.03419	0.6
84.08141	0.3
85.02905	4.5
86.09711	0.4
91.05458	6.1
95.32555	0.3
97.02878	1.3
98.98455	0.4
102.93519	0.3
107.04957	0.3
109.02855	0.4
110.07145	0.4
114.94778	0.3
116.07085	0.3
118.91760	0.3
119.04929	16.1
120.05214	0.3
127.03901	0.9
127.08668	0.3
129.10188	0.4
130.06540	0.5
131.04869	0.3
132.04376	0.3
145.04924	0.8
147.04391	100.0
148.04736	2.8
149.13506	0.3
157.07550	0.7
163.03937	0.3
175.08717	0.5
235.09712	0.3
253.12891	0.3
260.10318	1.2
271.05969	0.7
361.58362	0.3
363.05438	0.3
432.19342	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.2439
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	1.3
55.05485	1.1
57.03422	1.3
57.41984	0.8
59.04998	9.1
61.02900	1.4
62.74174	0.9
62.88179	0.9
66.03431	0.9
67.05481	1.8
69.03431	4.5
70.06589	7.4
71.04961	0.9
71.74198	1.3
72.08151	6.2
79.05470	1.5
81.03397	3.1
81.07032	1.5
84.04501	1.6
84.08131	5.0
85.02887	13.1
86.09714	7.2
86.12247	1.1
87.04450	1.6
87.10011	1.0
87.39735	1.2
87.66573	0.8
88.03953	0.9
89.06020	100.0
91.05450	2.4
91.07598	1.0
92.05763	1.3
95.04942	1.4
97.02867	3.6
98.98458	1.3
99.04469	1.5
103.05431	1.7
103.07536	2.3
103.77028	0.9
107.04941	2.0
107.07039	7.2
107.08590	0.9
107.59269	0.9
108.44940	0.8
109.02864	2.8
110.07137	3.1
111.04453	1.1
112.11235	1.0
116.84924	0.9
119.04948	5.1
119.05622	0.8
120.08075	1.2
121.02873	4.0
122.06115	1.2
124.07584	2.3
127.03889	2.1
129.10205	2.7
130.08611	1.5
133.08592	36.2
135.04393	1.2
135.08034	1.2
137.09650	1.2
141.01688	1.0
143.11781	1.5
145.02858	1.1
147.04402	11.4
147.10132	1.1
151.09653	7.0
163.03893	2.2
165.01805	3.7
167.07047	1.1
170.06117	1.2
177.01814	1.2
177.11215	9.2
181.04956	1.5
183.02934	2.5
195.03058	1.3
195.12265	69.8
198.05467	1.7
199.07666	1.2
211.63089	0.9
216.06561	1.8
234.07684	2.3
234.11266	1.1
234.15602	1.5
252.12335	1.1
253.16449	84.7
254.16832	1.6
267.06583	2.6
270.13208	1.5
271.05948	5.2
281.08005	1.1
283.05978	24.7
283.08923	1.8
284.06705	1.6
295.06058	2.4
308.06708	1.1
309.07516	5.0
313.07031	15.1
323.09064	2.8
333.07675	1.3
337.07047	9.6
349.06912	3.2
361.06741	2.1
367.08176	5.4
379.08249	4.8
397.09158	5.2
415.10254	2.6
432.18863	1.3
433.10873	3.1
433.16623	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	431.2788
Annotation	Pittosporatobiraside A
Peak:m/z	Relative Intensity
52.76967	1.6
55.05490	3.5
67.05499	4.7
69.07056	15.5
71.08617	1.9
79.05472	3.5
81.07053	9.1
83.01324	3.6
84.99614	1.6
91.05453	5.1
93.07014	6.3
95.04951	2.0
95.08584	6.8
98.66753	1.9
105.07014	3.0
107.08579	8.3
109.10091	2.6
113.00011	34.0
119.08563	2.1
121.06488	4.8
121.10191	2.6
122.33736	1.8
123.11702	12.2
124.99397	1.6
131.08568	4.2
133.10127	2.2
135.07997	3.8
135.11693	9.0
137.05954	4.3
143.08560	2.1
145.10059	2.7
147.11591	1.9
149.09607	3.1
153.05475	4.3
159.08060	4.0
162.06821	5.7
163.07539	9.6
165.05464	65.7
169.02615	31.9
177.09117	17.0
187.07497	4.3
191.06960	2.0
191.58463	1.7
205.08586	67.1
205.10509	3.9
206.08955	2.2
211.09729	2.0
221.11705	36.3
222.12225	2.4
223.09636	100.0
235.58568	1.9
247.68875	1.9
263.23785	2.9
287.16428	35.1
291.15826	4.6
299.05508	4.8
305.17459	7.5
345.20560	24.3
353.06552	2.7
357.20526	2.7
363.21432	5.0
413.08514	2.3
431.27692	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	431.3518
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	2.5
57.07069	0.9
67.05506	4.7
69.07068	4.8
69.52554	3.9
76.82545	0.4
79.05480	0.8
81.07051	5.2
83.04988	0.5
83.08595	1.9
90.42606	0.4
93.07043	0.8
95.08007	0.7
95.08600	11.8
97.10145	1.4
105.07019	1.5
107.08592	0.7
108.05729	1.1
109.10159	3.2
111.11720	1.5
123.08076	8.8
123.11697	2.3
125.13276	1.3
135.08041	1.8
135.11713	0.5
137.06030	0.5
137.13246	1.4
140.13730	0.4
141.43123	0.4
149.13319	0.4
151.07536	100.0
151.14799	0.6
152.07901	2.8
163.07553	0.9
165.09135	2.2
166.09509	0.4
177.09122	1.0
179.17906	0.6
191.10670	6.5
303.74579	0.4
413.34186	1.8
431.35083	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2791
Annotation	Pittosporatobiraside A
Peak:m/z	Relative Intensity
64.92822	10.6
68.85492	10.0
69.07046	24.5
71.74364	16.0
81.07028	16.1
93.07036	19.6
95.08580	16.1
107.08591	13.0
123.11771	11.8
131.08649	10.2
165.05440	59.3
170.36743	12.7
177.09163	17.6
205.08586	82.1
221.11751	34.4
223.09579	100.0
262.30023	9.4
287.16458	31.1
345.20593	17.3
431.28827	25.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.279
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	2.9
59.66887	1.3
66.11037	1.5
67.05485	2.8
69.03413	1.5
69.07061	37.8
71.04967	1.7
71.75674	2.0
79.05463	2.0
81.07042	5.0
83.01353	1.7
91.05502	1.5
93.07035	9.0
95.08591	3.4
107.08596	6.8
109.10167	4.6
113.05999	2.0
121.06461	3.6
121.10191	1.6
123.07994	1.9
123.11683	4.3
130.78212	1.5
131.21159	1.3
135.07986	3.4
135.11682	10.1
147.11758	1.4
149.09637	2.8
153.05426	6.9
163.07526	3.4
164.08351	3.0
165.05484	13.9
165.09082	17.8
166.09491	6.1
173.09756	1.7
177.09106	6.6
179.07033	20.2
191.07039	5.5
191.10597	4.9
192.07764	2.8
193.08629	2.5
203.07098	4.8
205.08595	29.6
209.11743	1.9
211.09499	2.6
219.10156	15.9
223.09618	24.3
231.10127	10.0
237.11180	17.9
243.10110	7.0
261.11099	11.1
264.73688	1.6
271.13309	6.6
287.16382	87.0
288.16769	4.2
289.14297	11.9
305.17410	21.9
316.55524	1.6
327.19467	6.3
343.19235	2.1
343.22678	3.4
345.20575	100.0
346.20871	6.1
357.20560	9.7
363.21585	22.3
375.21640	2.8
413.26807	6.7
431.27966	3.1
431.38794	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	431.2791
Annotation	Lupulone C
Peak:m/z	Relative Intensity
55.05504	2.4
56.58013	2.3
58.13875	2.3
58.28769	2.2
62.80780	2.2
67.05485	4.8
69.03429	4.6
69.07061	27.3
69.64009	9.3
69.64437	9.8
79.05495	3.9
81.07040	4.3
83.01326	4.0
91.05468	4.6
93.07039	8.5
95.04964	3.5
95.08612	5.2
98.21487	2.1
107.08579	9.5
109.10160	6.0
113.05948	2.3
121.06503	3.7
123.07996	2.0
123.11700	5.2
135.08092	4.1
135.11703	15.9
141.05492	3.4
149.09689	2.8
153.05434	5.9
153.12735	3.7
159.08128	2.5
162.06758	4.6
163.07593	6.6
165.05464	20.0
177.09106	9.2
179.07043	30.2
191.07071	10.3
191.10730	7.1
192.07793	4.7
193.08572	5.1
201.09094	2.4
203.07072	4.8
205.08586	40.1
219.10152	21.3
221.11731	3.1
223.09641	31.5
231.10231	10.5
237.11192	23.9
243.10156	5.3
261.11203	9.9
271.13376	9.5
287.13162	3.8
287.16376	77.0
288.16879	3.5
289.14423	13.2
327.19650	6.9
345.20596	100.0
345.24811	5.4
346.20868	4.8
357.20587	3.6
431.36746	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	431.2788
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03376	1.4
66.79809	1.2
67.05508	1.7
69.03423	1.2
69.07061	21.5
69.77616	4.4
69.78028	4.7
79.05499	1.7
81.07047	7.4
83.01328	2.7
91.05466	3.8
93.07028	5.7
98.20589	1.3
107.08614	8.2
107.39482	1.4
109.06507	5.2
109.10117	1.7
121.06501	3.2
121.10116	1.4
123.10896	1.1
123.11698	31.3
127.03918	1.5
127.09607	1.4
131.08591	3.0
135.08032	4.7
135.11674	10.5
137.05971	4.5
149.09608	6.0
152.79169	1.4
153.05437	5.0
159.08043	5.8
162.06755	5.6
163.07550	8.8
165.05463	82.4
166.05766	1.5
177.09076	16.3
187.07556	5.8
191.07031	1.7
193.08577	2.8
203.07008	1.6
205.08588	76.0
206.08894	3.1
211.09473	2.3
219.10152	2.7
221.11723	45.0
223.09636	100.0
224.09979	5.0
231.10120	1.3
261.11249	1.8
287.16403	34.0
289.14444	1.9
291.15860	7.2
305.17603	3.1
327.19470	3.3
343.19034	1.6
343.22720	5.1
345.20557	30.7
346.20831	2.0
357.20645	2.7
413.26556	2.0
431.18359	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2789
Annotation	Pittosporatobiraside A
Peak:m/z	Relative Intensity
61.55944	2.2
67.05520	3.1
69.07057	18.2
70.11192	12.0
79.05506	2.7
81.07042	4.7
83.01336	5.0
91.05460	4.1
93.07030	12.2
95.08590	5.1
103.59299	2.1
105.06985	2.7
107.08606	11.7
109.02872	2.5
109.10181	4.1
113.00013	3.9
123.11703	7.1
131.08572	5.3
135.08075	5.9
135.11662	11.8
137.06009	2.8
149.09598	3.8
153.05405	5.4
159.08081	5.4
161.92874	2.4
162.06689	6.1
163.07526	8.8
165.05461	50.7
169.02579	4.0
175.47508	2.2
177.09032	16.3
187.07562	4.7
205.08606	71.6
211.09604	2.5
221.11717	9.7
223.09628	100.0
224.10025	2.7
279.15964	3.8
287.16409	47.9
288.16772	2.4
343.22723	4.9
345.20581	34.1
346.20874	3.3
357.20563	4.4
432.21390	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	431.2788
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	2.6
55.10395	1.1
65.27907	1.0
67.05500	6.0
69.07062	59.1
70.12012	3.8
70.12424	2.4
71.04977	1.7
79.05490	3.1
81.07038	5.7
83.01348	5.7
87.38705	1.0
91.05457	3.5
93.07024	7.2
95.08578	2.9
95.36479	1.1
98.21331	1.5
105.07024	2.3
107.08572	7.9
109.06532	2.5
109.10137	7.6
111.11678	2.0
113.05950	1.6
117.07025	1.2
119.08594	1.9
121.06480	4.2
121.10123	1.8
123.11709	7.1
131.08540	3.7
131.80553	1.1
133.10063	2.2
135.08061	6.9
135.11659	7.9
137.05983	2.1
149.05948	1.5
149.09576	6.3
153.05446	5.1
159.07962	5.9
159.11739	1.4
161.05937	1.7
161.09631	2.6
162.06769	5.2
163.07529	10.3
164.63524	1.3
165.05472	30.7
167.07033	6.2
175.07471	3.4
177.05450	4.5
177.09099	15.4
179.07071	1.4
187.07545	5.7
189.05525	2.0
189.09123	7.4
190.06165	1.4
191.06932	6.1
193.08487	2.7
201.08949	1.3
203.07059	6.7
205.08577	80.4
206.08984	2.8
207.10104	2.4
211.09605	2.9
215.10703	1.4
216.07755	1.4
217.08595	6.0
219.10164	5.4
221.08067	1.3
221.11818	6.1
223.09628	100.0
224.09949	3.0
229.08676	2.9
229.12195	1.2
231.10144	2.1
231.13727	1.5
235.09543	5.3
237.11224	1.4
243.10237	12.9
245.11732	2.7
259.13333	7.5
261.11169	6.1
263.12891	1.9
269.15320	1.7
275.16299	2.0
277.14230	9.4
287.16367	20.8
289.14441	2.2
305.17429	7.5
327.19284	4.0
343.22510	7.4
345.20557	44.5
346.20972	2.3
361.20078	2.6
363.21545	19.4
431.27594	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.279
Annotation	Pittosporatobiraside A
Peak:m/z	Relative Intensity
55.05513	5.1
59.11638	3.4
67.05482	6.0
67.07539	4.1
69.07061	27.2
69.92010	25.7
79.05489	6.4
81.07041	6.6
93.07030	8.1
95.08622	8.3
105.07051	4.1
105.23075	3.6
107.08567	11.2
109.06507	5.4
123.11690	23.4
131.08556	4.7
135.08049	3.8
135.11633	11.1
137.05954	3.9
151.07568	5.9
152.07883	5.9
153.05484	5.7
162.06735	4.1
163.07523	7.6
165.05464	100.0
177.09114	18.4
187.07466	6.3
205.08575	49.8
218.02524	3.6
221.11713	50.2
223.09651	68.2
239.18320	3.7
275.12329	4.0
287.16418	57.7
291.15939	11.3
299.05447	5.8
305.17392	11.7
327.19614	7.1
343.22705	5.9
345.20554	58.5
357.20544	11.6
413.26520	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	431.2277
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	7.4
55.01854	7.0
55.05503	17.5
57.03196	2.0
57.03429	21.9
57.07066	3.5
60.12207	1.8
61.02925	42.6
62.84369	1.6
65.03929	3.9
66.41519	1.9
67.05148	3.9
67.05501	63.8
67.97395	1.5
69.03425	27.2
69.06696	2.2
69.07058	27.5
70.06566	5.1
70.71796	1.6
71.01325	4.0
71.04980	8.5
71.73654	2.3
72.08127	1.8
73.02918	17.5
79.05492	38.7
81.02998	1.8
81.03412	26.1
81.07050	100.0
81.52967	1.7
83.04978	14.3
83.08612	15.1
84.08122	3.3
85.02902	49.5
85.06523	7.5
86.09731	2.1
87.04451	2.3
91.03953	24.5
91.05459	24.1
93.07041	63.6
95.04962	12.4
95.08601	37.4
97.02323	2.8
97.02888	31.8
97.06522	18.1
97.10188	2.0
98.98492	2.2
99.04436	9.8
99.08080	5.5
101.02365	9.3
103.03922	6.7
103.05466	2.5
105.07023	17.5
106.48853	1.6
107.04967	4.3
107.07919	2.4
107.08586	36.2
109.02853	16.8
109.06499	4.7
109.10146	10.2
111.04436	7.5
111.08067	9.8
113.05970	2.5
115.03939	3.3
115.05387	1.7
117.05459	2.6
117.06995	12.4
119.08572	12.4
119.88605	1.7
120.08064	1.9
121.06480	5.6
121.10132	25.1
123.08041	5.9
123.11692	6.1
125.05946	3.2
125.09647	3.0
127.03899	22.0
129.05463	5.7
131.08574	14.1
133.10126	17.6
135.04391	2.8
135.08006	5.2
135.11685	18.1
137.02309	6.4
137.05946	6.7
137.09593	3.7
139.07539	2.2
139.11171	5.1
143.08559	3.6
145.04953	6.2
145.10088	6.7
147.11652	7.0
149.09599	3.3
149.13254	58.1
150.13547	2.4
151.07515	7.0
151.11179	2.3
153.05386	3.9
157.10086	3.8
159.06592	2.1
159.11671	26.9
161.09619	3.0
161.13338	2.4
163.03917	2.7
165.01807	3.4
165.09203	2.0
165.12737	3.1
167.07039	2.6
167.14275	2.0
169.10069	1.8
171.11676	3.4
173.13211	2.5
177.12747	18.6
179.14305	2.5
183.02948	2.9
183.06531	5.7
185.13194	2.1
187.11183	2.4
195.12086	3.2
195.13797	35.6
201.07539	3.4
213.14761	2.9
235.05949	2.3
245.09184	3.1
269.08020	2.0
269.17441	83.4
270.17902	3.2
275.23502	1.7
287.05331	3.3
288.17560	1.8
295.05923	2.9
297.07349	1.8
297.16895	3.8
299.05505	33.2
300.06006	3.4
302.21271	2.0
311.05551	8.7
311.18488	6.2
313.06995	15.2
321.07761	2.0
323.05475	4.5
325.07028	5.3
327.05020	2.7
329.06497	4.9
329.50397	1.7
339.04922	8.0
339.08911	4.9
343.11832	4.3
344.04211	2.3
349.06827	2.1
353.06598	9.7
367.07916	3.5
368.60489	1.8
387.19479	2.8
395.07632	19.5
396.07925	2.6
413.08737	18.2
413.21231	6.8
414.08890	2.3
431.09509	12.2
431.22571	9.2
431.27283	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	431.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	6.6
56.05034	1.8
68.39948	0.9
69.11359	0.9
69.61753	0.9
70.06583	12.8
71.61290	1.5
72.08147	100.0
73.04734	1.3
73.08492	1.3
74.06075	1.7
75.08051	0.9
79.12395	0.9
81.03407	1.5
84.04504	7.4
84.08145	3.8
85.02899	1.4
85.89650	0.9
86.06062	5.8
86.09692	12.9
88.03985	1.4
91.05785	2.9
98.98457	2.0
99.25961	1.0
102.05507	1.7
110.07156	3.2
112.05077	1.5
112.08711	1.4
114.05509	5.0
129.10236	1.9
130.04990	2.8
130.08623	1.7
133.73035	1.0
134.06134	1.1
143.11765	9.2
148.06047	8.2
153.04063	1.0
157.09770	1.7
159.50165	1.2
167.05501	1.0
167.08199	1.0
171.11298	3.8
172.10852	2.7
173.12906	1.7
178.09720	1.3
185.09189	18.2
193.95781	0.9
197.12810	1.3
231.09648	1.5
247.12862	9.5
256.16556	9.9
272.32709	1.0
284.16010	6.3
295.37656	1.0
302.21774	1.3
330.39218	0.9
361.02704	1.7
431.26184	6.0
452.50507	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1042
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	0.9
57.03435	1.7
63.38654	0.4
67.33850	0.4
69.03418	0.7
70.06546	0.5
70.51087	1.4
73.02905	1.1
80.06657	0.4
83.01351	2.9
85.02905	1.0
86.48371	0.4
97.02872	0.7
101.02374	2.9
110.03513	11.6
115.03911	0.8
128.04559	2.2
128.05392	0.5
129.01846	6.2
133.04933	1.0
136.01398	0.7
147.02872	0.9
148.05058	1.2
153.04060	86.3
154.02457	14.8
154.04446	1.2
165.04001	0.8
181.03496	0.5
183.05122	3.1
191.05598	0.9
192.04034	2.4
193.03600	1.0
218.13730	0.6
220.03542	1.7
235.04587	11.1
239.04114	4.2
253.05653	1.5
263.04095	2.0
281.05148	1.3
299.06198	100.0
300.06439	2.2
365.07333	0.8
431.10278	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.0971
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.7
57.50911	0.7
57.51523	0.6
66.76263	0.7
68.99767	0.8
69.03416	0.8
69.16210	0.6
69.53164	2.7
69.53582	3.7
72.60045	0.7
79.01855	6.1
81.03353	1.8
85.02876	1.0
90.34367	0.7
95.04820	0.8
97.02833	0.8
121.02883	0.7
133.02756	0.7
135.04378	2.8
137.02328	26.7
139.45804	0.8
141.01787	1.7
146.69676	0.8
149.02306	1.3
153.01793	1.1
161.02312	3.0
163.03862	2.7
165.00621	1.2
165.01831	9.8
167.03365	1.0
177.01801	3.2
179.03357	2.5
183.02843	4.1
187.03833	1.5
189.05368	0.9
191.03291	1.8
192.04108	2.5
203.03416	1.3
204.93843	0.7
205.04839	1.3
207.06509	2.0
213.05542	0.9
215.03398	1.0
219.02695	0.9
219.34735	0.8
219.48923	0.8
227.06940	1.9
229.04901	5.6
233.04378	2.3
235.05998	2.1
243.06299	1.2
244.07220	1.2
251.05493	1.9
258.05231	1.2
259.06046	2.5
261.04147	1.1
271.05997	6.6
272.06693	6.6
275.05551	1.0
277.07236	1.9
279.04840	1.0
282.05325	0.9
283.05997	1.3
286.04797	2.1
287.05524	6.9
295.06006	2.5
296.06775	0.9
297.07553	2.4
299.05469	100.0
300.06207	33.2
300.09698	1.2
301.06851	2.9
311.05469	25.4
312.05957	1.1
313.03671	1.0
313.06985	23.2
314.07504	0.9
315.04822	1.0
321.07309	1.0
323.05536	4.0
324.06128	4.2
325.07028	7.3
327.04990	17.1
328.05698	6.6
329.06519	63.2
330.06799	2.7
339.04919	5.0
339.08640	9.4
340.09335	1.0
341.06476	7.1
345.06033	1.2
349.06946	1.8
351.04761	1.1
353.06577	5.6
354.06412	1.0
357.05927	6.2
357.09689	1.6
359.07614	3.2
367.08109	11.9
369.06006	4.4
377.06537	1.3
385.09100	9.9
387.07028	2.7
395.07556	17.3
396.07614	1.2
410.74753	0.7
413.08649	54.2
414.09003	2.5
431.09698	82.3
432.10117	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	431.0972
Annotation	Unknow
Peak:m/z	Relative Intensity
53.98085	0.6
55.01852	1.0
57.03414	1.3
59.04930	0.6
63.42464	0.7
65.03923	1.0
67.05479	1.0
68.99794	1.7
69.03419	1.7
69.45936	1.6
69.46356	4.7
71.04977	0.7
79.05457	0.7
81.03394	1.8
81.07042	0.9
91.05480	0.9
92.73451	0.6
93.03396	1.1
95.04971	1.2
99.04416	1.1
99.49453	0.6
105.03352	0.7
109.02904	1.0
117.03344	0.7
117.59766	0.6
121.02872	1.9
125.75280	0.6
127.03902	1.0
133.02855	1.5
135.04384	6.0
137.02319	8.5
141.01799	3.1
149.02315	2.2
151.03886	1.4
161.02307	5.1
163.00330	1.0
163.03879	2.5
165.01814	17.7
167.03430	4.1
177.01799	2.5
178.99756	1.4
179.03387	10.3
181.01299	2.0
183.02890	7.9
189.01837	3.2
189.09241	0.6
191.03419	1.3
195.02826	2.4
197.00803	2.0
197.04338	1.0
199.63258	0.6
203.03439	1.2
205.04909	0.9
207.02934	2.0
217.01344	0.8
235.02341	1.6
245.04439	2.6
255.06474	0.9
272.06702	1.5
281.04434	1.3
283.05991	7.9
284.06345	0.7
285.07544	0.8
286.04623	3.0
287.05469	8.7
293.04602	0.7
295.06015	12.7
297.07550	6.2
299.05472	100.0
300.06171	11.2
310.04684	1.6
311.05481	19.9
311.08820	1.6
312.05765	1.0
313.03409	7.3
313.07028	30.4
315.04947	12.3
321.07559	2.0
323.05466	23.6
324.06241	3.1
325.03354	3.1
325.07025	12.3
327.04980	12.4
327.08496	1.1
328.05707	0.7
329.06525	46.4
330.06726	2.2
339.04840	4.3
339.08636	17.1
340.05774	0.9
341.06540	10.1
349.06958	3.6
351.04962	9.0
351.08826	1.1
353.06635	5.5
355.04529	1.1
359.07523	0.7
367.08105	19.2
368.08664	1.0
369.06018	49.1
370.06342	1.7
377.06577	1.5
385.08957	3.9
387.07056	2.5
395.07596	19.9
396.07880	0.9
413.08646	44.1
414.08942	1.8
431.09702	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	431.0967
Annotation	Derhamnosylmaysin
Peak:m/z	Relative Intensity
50.62407	0.8
53.03934	1.1
55.01870	1.4
57.03419	1.6
66.32346	0.6
67.05479	0.7
68.99793	0.8
69.03377	0.7
70.06577	3.2
72.08129	1.0
74.50864	0.7
79.01831	0.8
81.03403	1.7
84.08114	1.9
84.66644	0.7
86.09683	7.8
91.05433	1.1
93.03388	0.9
95.04914	0.9
95.08537	0.7
98.98427	0.7
103.05444	12.5
109.02899	0.7
110.07159	1.1
117.03366	0.8
120.08085	1.0
121.02981	1.1
127.03901	0.8
131.04903	24.5
135.04416	3.7
137.02316	9.3
137.05948	1.2
141.01788	3.3
147.04359	1.1
149.02295	1.0
151.03870	1.3
153.01770	0.9
161.02327	3.5
161.05910	1.3
162.06711	0.7
163.03867	3.9
163.07506	8.5
165.01826	18.2
165.10234	3.5
167.03360	2.0
175.07216	0.7
177.01823	1.6
179.03336	4.3
181.04965	1.5
183.02869	12.6
183.11269	1.5
187.03857	1.5
188.07062	0.9
189.01762	1.6
191.03296	1.5
199.17982	1.3
203.03247	0.9
205.01244	0.8
205.04829	1.4
224.12022	0.8
233.04398	1.6
243.06609	1.0
245.04369	1.3
261.03873	0.8
271.05966	2.5
272.06842	1.3
283.05911	4.7
286.04727	1.3
287.05484	15.5
295.05954	6.8
296.06519	0.8
297.07516	10.8
299.05466	100.0
300.06137	15.9
301.06970	1.0
310.04681	2.1
311.02158	1.3
311.05536	19.2
311.09109	2.0
312.05872	0.9
313.03427	1.6
313.07053	18.7
315.05060	1.5
321.07501	2.1
323.05484	12.0
324.06033	2.5
325.03564	1.7
325.07034	22.7
327.04919	7.7
327.08560	2.7
328.05722	1.2
329.02573	1.5
329.06500	31.2
330.06702	1.3
339.04843	6.5
339.08624	19.5
341.06512	4.5
349.06958	5.2
351.04913	4.9
351.08676	1.7
353.06592	9.9
357.05966	1.1
357.09863	0.9
359.07346	1.2
367.08075	23.9
368.09015	0.8
369.06052	7.6
377.06369	3.5
385.09122	5.7
387.07028	2.7
395.07565	42.6
396.07870	2.2
413.08585	40.9
414.08713	1.0
431.09613	15.9
431.14792	1.5
432.10205	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.0971
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.7
53.83803	0.6
55.01842	0.8
57.03429	1.4
68.99804	1.2
69.03403	1.3
70.86831	1.4
70.87176	1.0
73.36301	0.6
75.04462	0.7
79.01836	0.6
81.03397	1.2
85.02850	0.8
89.03888	0.7
93.03371	1.1
95.04974	0.7
109.02887	1.3
133.02815	0.8
135.04416	4.6
137.02309	11.2
141.01819	3.4
149.02321	2.4
151.03847	1.1
153.01794	1.5
153.02927	0.7
161.02325	4.2
163.03879	2.2
165.01833	21.0
167.03401	4.3
177.01866	2.2
177.05441	0.7
178.99789	0.8
179.03349	8.3
181.01291	2.3
183.02863	9.1
187.04019	0.9
189.01790	2.9
191.03156	0.7
193.43060	0.6
195.02827	1.9
197.00787	1.9
197.04539	0.9
203.03351	1.1
205.04944	0.6
207.02879	2.6
217.01341	0.9
221.72902	0.6
224.84181	0.6
235.02304	2.0
237.05484	0.6
245.04420	2.5
246.55153	0.7
255.06573	1.0
258.05124	1.0
271.05853	0.9
272.06720	1.2
283.05997	8.6
286.04694	2.5
287.05453	9.7
289.03339	1.0
295.06024	12.3
297.07495	6.1
299.05472	100.0
300.06100	12.2
310.04678	0.9
311.05487	21.8
311.08917	1.2
312.05841	1.2
313.03415	7.2
313.07031	32.9
314.07404	1.5
315.04996	14.1
321.07562	2.4
323.05444	25.5
324.06107	3.6
325.03329	4.6
325.07047	14.9
327.04993	12.5
328.05515	1.3
329.06531	55.3
330.06839	2.5
339.04849	4.8
339.08624	18.6
340.09009	0.8
341.06534	15.2
342.06787	0.9
349.06799	3.1
351.04947	9.2
351.08807	1.1
353.06577	7.7
357.05951	1.2
367.08102	24.2
369.06015	66.5
370.06400	4.1
377.06561	2.8
385.09070	4.3
387.06955	5.7
395.07574	27.5
396.07925	1.1
413.08646	56.3
414.08694	3.1
431.09784	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	431.0968
Annotation	Derhamnosylmaysin
Peak:m/z	Relative Intensity
53.03921	0.2
53.65836	0.2
55.01866	1.0
57.03390	0.6
61.02905	0.4
65.03897	0.2
67.01820	0.2
67.05474	0.3
68.99777	1.4
69.03402	0.3
70.06596	1.0
71.11636	0.3
71.11954	0.4
72.08112	0.7
79.05445	0.4
81.03410	1.0
84.04443	0.5
84.08089	0.6
85.02905	1.8
86.09253	0.2
86.09696	2.6
91.05446	1.2
92.99725	0.3
95.04916	0.6
97.02872	1.0
103.05429	0.6
105.03365	0.3
107.04899	0.7
109.02841	0.9
110.07126	0.3
111.04439	0.2
115.05421	0.2
115.08727	0.2
119.04913	0.3
121.02846	1.3
123.04350	0.2
127.03860	0.5
129.10210	0.3
131.04919	1.0
135.04395	3.9
137.01305	0.4
137.02332	7.4
137.03345	0.3
137.05971	0.2
141.01825	2.5
142.68181	0.2
145.02803	0.5
147.04337	0.9
149.02316	0.6
149.05974	0.3
153.01781	0.3
159.04350	0.5
161.02327	2.7
161.05898	0.3
162.07681	0.2
163.00284	0.4
163.02658	0.3
163.03900	4.5
165.01822	14.7
167.03308	0.7
173.02274	0.3
175.03877	0.4
175.38261	0.2
177.01784	0.7
177.05382	0.7
177.06825	0.2
179.03387	1.3
181.04967	1.8
183.02873	7.6
187.03871	1.6
189.01759	0.6
190.02644	0.2
190.99712	0.2
191.03392	2.4
191.39140	0.2
195.02762	0.2
197.00735	0.3
199.03925	0.3
203.03323	1.3
205.04982	1.2
207.02647	0.5
209.00813	0.3
209.04414	0.7
215.03397	1.2
219.02977	0.2
221.04488	0.4
229.04855	0.3
233.04381	1.0
243.02898	1.0
245.04468	0.5
247.12663	0.3
254.05678	0.2
255.06432	0.4
258.05237	0.3
261.03900	1.1
261.14319	0.2
269.08084	0.5
271.05875	0.6
279.06412	0.2
282.05115	0.3
283.05984	3.0
284.06531	0.3
286.04654	1.3
287.05472	6.1
288.05890	0.4
289.03448	0.3
295.06021	2.6
296.06604	0.4
297.04279	0.5
297.07541	11.6
298.07874	0.3
299.05463	100.0
300.05911	4.2
305.08298	0.2
307.05862	0.7
309.07477	0.8
310.04752	1.1
311.05423	8.2
311.09079	2.4
312.05908	0.2
313.03348	0.6
313.06921	3.5
321.07501	2.9
323.05450	2.6
324.06204	2.9
325.03546	1.9
325.06998	31.1
326.07339	1.4
327.04959	0.8
328.09869	0.6
329.06491	3.0
335.05310	0.3
337.07007	3.2
339.05154	0.7
339.08606	15.5
340.08896	0.7
341.06442	1.0
349.07031	4.0
351.04849	0.7
352.06000	0.3
353.06522	47.1
354.06735	1.9
365.06525	11.3
366.06943	0.7
367.08121	2.9
371.07617	0.5
377.06543	11.5
378.06793	0.7
383.07556	17.8
384.07867	1.0
395.07578	20.4
396.08093	1.0
413.08630	19.8
414.08810	0.8
431.09683	12.7
432.09970	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.3801
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13677	1.4
53.77877	1.5
57.07061	2.5
59.87624	1.6
67.05485	2.6
69.07051	2.0
71.08636	2.2
71.24270	1.8
71.24593	2.6
74.05433	1.7
76.56863	1.4
81.07020	2.4
85.68475	1.6
95.08588	1.6
109.10149	6.5
119.08559	4.1
121.06493	12.0
126.08602	1.6
136.08813	16.0
137.09619	15.3
141.52686	1.4
149.09560	2.9
163.11172	3.7
164.08313	31.1
165.09109	100.0
166.09465	8.2
187.11119	1.9
191.10591	2.8
191.75046	1.8
193.58807	1.7
205.12233	7.4
229.85135	2.0
234.26517	1.6
430.38010	83.8
431.38690	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.2658
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43950	0.7
52.30520	0.7
54.06940	0.7
55.05510	4.3
56.05017	2.0
60.04508	0.9
69.03420	1.7
70.06585	8.0
71.04975	0.8
71.74616	1.1
72.08146	77.6
73.02931	0.7
74.06078	1.0
79.05463	1.2
81.03407	1.0
84.04496	31.3
84.08144	4.3
85.02888	3.7
86.09695	100.0
87.10031	1.3
91.05874	1.5
95.04948	1.2
97.02887	1.9
97.06519	1.4
100.07611	0.9
101.07114	6.1
102.05569	1.3
103.05484	0.8
107.04959	1.3
107.06039	0.8
109.06503	0.8
109.10190	0.9
110.07132	0.9
116.07095	1.2
119.04914	1.2
120.08088	0.9
122.06059	1.2
123.04411	0.9
124.07608	0.9
127.08735	0.8
128.03462	1.8
129.10220	2.9
130.04988	59.3
131.11812	2.1
137.02347	0.7
137.05952	0.8
143.11786	45.0
144.10074	0.7
146.06012	0.8
147.04420	2.8
147.07628	93.5
148.07909	0.8
152.05673	0.9
152.96815	0.7
158.06007	0.7
164.07060	1.3
167.05580	1.4
171.11272	34.8
178.08759	0.8
179.90314	0.8
185.16489	1.8
186.05490	1.6
190.08620	0.9
206.08162	0.8
208.09674	0.8
212.01952	0.9
217.54646	0.9
239.17531	4.9
242.15013	2.3
243.13414	6.6
250.08597	1.7
260.16034	77.7
261.16245	1.4
268.04498	0.8
268.11880	1.7
269.06351	0.7
284.19650	10.8
299.05496	1.0
353.06525	1.1
358.07758	2.4
359.22891	1.0
369.21323	1.4
412.25369	1.0
413.17386	0.9
430.21030	3.3
430.26733	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	429.3723
Annotation	alpha-Tocomonoenol
Peak:m/z	Relative Intensity
52.12451	1.6
55.05502	2.5
57.07049	5.4
67.05482	3.7
69.07052	6.3
70.00060	2.0
70.16064	1.7
71.08609	4.9
71.75462	3.4
81.07016	4.5
83.08590	4.5
85.69485	1.9
95.08588	5.2
97.10138	2.1
109.10125	6.5
111.11684	2.3
117.91006	1.8
130.74268	1.7
135.08041	2.1
136.51183	1.8
137.09586	11.9
138.09932	2.1
141.91585	2.0
149.09612	5.5
165.09096	100.0
166.09428	7.7
176.39322	1.7
177.09047	2.0
179.10596	1.9
190.09837	3.5
205.12253	15.1
333.03052	2.4
429.36938	9.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.1708
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67766	0.7
51.83015	0.8
53.03939	8.7
55.01865	12.5
55.05497	1.1
57.03426	6.0
60.04505	1.2
61.02919	6.5
68.99777	4.2
69.03422	31.4
70.06576	1.7
70.11027	0.8
70.11335	4.2
71.04977	5.5
73.02904	10.0
74.32233	0.8
80.05015	1.1
81.03408	33.3
84.08129	0.9
85.02896	100.0
86.03214	1.1
86.09682	0.9
87.00820	31.4
91.03951	3.7
97.02882	37.7
98.03190	0.9
98.21410	0.9
99.04443	18.8
103.05466	1.9
105.01854	32.7
105.07042	1.3
108.04466	9.4
109.02869	36.2
115.03945	1.1
117.01857	4.1
124.05245	1.4
126.05487	4.7
126.38471	0.7
127.03902	78.2
128.04262	1.1
129.01825	5.6
131.04924	1.5
137.05968	4.0
145.04944	36.4
146.05156	0.8
147.02873	3.6
157.06424	1.0
159.02863	28.1
165.09077	2.3
177.03973	1.7
189.03983	1.8
189.09077	6.0
203.47159	0.7
207.10072	1.8
212.05452	1.1
213.03905	3.5
230.06589	2.8
231.04990	13.8
231.10098	2.1
248.07599	4.3
249.05984	1.4
273.11133	1.6
368.94589	0.9
424.51990	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.336
Annotation	Unknow
Peak:m/z	Relative Intensity
54.97705	0.4
55.05501	1.1
57.02138	0.4
57.07079	0.8
67.05502	3.8
67.99719	0.4
69.03420	0.8
69.07053	1.6
69.42617	4.6
71.04973	1.5
71.08590	0.7
79.05490	0.6
81.03408	0.7
81.07043	3.6
82.21320	0.4
83.04951	0.5
83.08600	1.2
84.34029	0.3
85.02895	0.9
93.07030	1.4
95.08599	8.4
97.10138	0.5
105.07018	1.8
107.08578	0.5
108.05720	1.2
108.09604	0.4
109.10143	2.6
121.10172	0.7
123.08060	10.0
123.11691	1.7
127.11176	0.7
133.10057	0.5
135.08020	1.4
135.11678	1.5
137.13246	1.0
149.13246	1.2
149.32867	0.4
151.07529	100.0
152.07857	1.3
153.12759	0.9
155.98711	0.4
163.07500	0.8
163.14908	0.4
165.09122	1.1
169.79355	0.4
177.09103	1.0
191.10649	3.8
191.17993	0.6
205.12297	0.8
205.19548	0.6
219.13722	0.6
291.26907	1.1
343.26367	0.9
346.18848	0.4
411.32416	1.0
429.33752	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	429.3724
Annotation	alpha-Tocomonoenol
Peak:m/z	Relative Intensity
55.05498	13.0
56.96046	5.1
57.07055	18.1
58.78584	5.5
67.05478	11.7
69.07049	17.2
70.79012	10.3
71.08610	10.4
79.05492	12.5
81.07029	29.5
82.56122	5.0
83.08611	6.6
85.10182	6.4
91.05437	9.8
93.06314	5.1
93.07039	14.4
95.08608	34.1
105.07024	10.2
106.85394	6.2
107.08583	21.9
109.10157	14.7
119.08583	11.4
121.10148	11.3
131.08580	7.8
135.11684	7.2
145.10068	8.9
149.09573	9.6
157.96539	6.1
159.11700	9.6
159.77303	5.5
163.11116	12.0
163.14958	6.3
165.09203	26.0
173.09645	6.4
175.11156	16.8
180.33443	5.0
214.60390	4.9
243.68233	5.7
402.80432	5.8
411.36075	11.5
429.32062	9.5
429.37271	100.0
430.37762	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	429.3723
Annotation	alpha-Tocomonoenol
Peak:m/z	Relative Intensity
55.05496	2.4
57.07069	14.7
59.40983	0.7
64.24260	0.5
67.05501	4.4
69.07063	3.8
71.08245	0.7
71.08622	11.5
79.05462	1.4
80.80083	0.7
81.07047	6.0
82.59616	0.6
83.04985	0.6
83.08600	2.5
85.06532	0.6
85.10164	6.1
91.05437	1.2
93.07018	2.3
95.08594	6.4
97.10152	2.6
98.21535	1.0
99.11777	0.6
100.35895	0.5
105.07024	2.3
107.08581	5.7
109.10154	5.9
111.11722	0.6
119.08568	2.7
121.06503	2.1
121.10138	3.8
122.07279	1.2
123.08054	1.0
123.11669	0.8
131.08571	2.3
133.10156	1.2
135.08017	5.9
135.11653	1.5
137.09593	9.4
137.13181	0.7
139.07498	2.2
145.10124	1.8
147.11697	0.8
149.09607	13.2
149.13269	0.8
151.07495	1.6
157.10146	0.7
159.08028	0.7
159.11667	2.5
161.09592	0.8
162.06746	1.0
163.07607	0.7
163.09799	0.9
163.11177	19.3
164.08310	2.5
165.09100	100.0
166.09442	2.4
172.08879	0.7
173.09579	1.9
173.13211	2.2
174.10367	0.7
175.11176	4.9
176.08321	1.6
177.09097	10.7
177.12675	2.6
179.10672	1.2
186.10376	0.7
187.11191	2.4
187.14819	1.0
189.12730	1.5
190.09877	1.6
191.10654	10.3
201.12680	3.1
203.10645	1.5
203.14223	0.7
204.11316	0.9
205.12212	9.3
215.14314	2.6
219.13771	4.0
229.15964	0.7
233.15306	2.8
243.17274	0.7
247.16956	1.4
261.18561	1.2
275.20068	1.9
277.25891	0.6
289.21576	2.4
303.23114	1.3
317.24652	1.2
331.26337	0.8
359.29364	0.7
373.30969	1.4
401.34100	2.1
411.36270	1.6
429.37225	33.3
430.37796	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	429.2996
Annotation	meso-octamethylcalix[4]pyrrole
Peak:m/z	Relative Intensity
57.07064	10.3
69.07076	12.6
71.06422	5.2
78.00071	2.2
80.38171	2.0
81.07045	10.1
83.01340	2.4
91.05748	2.5
95.08559	2.7
105.07001	2.5
123.11706	3.7
135.07948	2.2
135.11572	2.3
153.05423	3.0
163.11116	2.7
165.05443	34.8
167.05698	2.1
167.06953	10.2
172.67001	2.3
177.09155	10.0
190.79710	2.0
191.10690	5.7
207.10141	3.5
219.10146	75.7
221.11630	12.0
237.11189	100.0
238.11542	5.2
251.12602	2.6
285.14758	3.3
289.17963	22.3
296.88544	1.9
305.17404	2.8
341.21078	4.1
359.22116	4.5
361.23666	12.1
411.24741	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2995
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	3.3
55.01858	5.7
55.05508	24.5
57.03437	4.4
57.07054	6.4
65.03961	3.7
67.05499	34.3
69.03417	6.4
69.07067	18.4
70.67537	10.2
71.04985	11.0
77.03912	3.4
79.05493	36.7
81.03415	16.2
81.07043	58.4
82.04791	3.1
83.04980	9.5
83.08603	11.6
85.02929	4.3
85.06539	7.2
91.05438	36.2
93.07037	60.0
95.04923	10.4
95.08598	72.2
97.02896	5.9
97.06522	8.4
98.98438	4.0
99.04459	19.4
99.08076	3.7
101.05988	8.8
105.07019	75.8
107.08585	77.8
109.06480	8.4
109.10147	44.5
111.04439	4.3
111.08079	5.9
113.05995	3.7
115.05460	4.7
115.07553	3.5
117.07005	17.2
119.08574	78.7
121.06509	5.7
121.10151	43.8
123.08057	6.3
123.11689	11.1
127.07552	4.4
128.06215	7.6
129.06982	15.8
131.08554	46.8
133.10121	60.4
135.08025	6.7
135.11687	14.4
137.09598	7.7
141.06984	6.7
142.07791	14.2
143.08539	39.5
144.09296	4.0
145.10106	85.8
147.07964	6.8
147.11673	65.5
149.02312	5.4
149.09607	13.0
149.13239	11.5
151.11150	7.8
155.08549	14.2
156.09338	10.9
157.10114	61.4
158.10857	6.7
159.11684	71.7
161.09601	7.9
161.13234	20.5
163.11159	9.5
163.14845	11.0
167.08548	3.8
167.10632	3.8
169.10121	25.9
169.12233	4.2
170.10817	8.2
171.11688	42.4
173.09528	4.7
173.13251	54.2
175.11177	17.4
175.14810	44.1
177.12737	6.3
177.16371	4.8
179.10698	4.3
181.10120	9.0
181.12221	5.8
182.10901	5.6
183.11681	23.3
184.12560	4.6
185.13232	34.7
187.14796	87.8
189.12718	13.7
189.16371	11.3
191.14252	9.9
193.04869	4.1
193.10339	6.3
193.12263	15.7
195.11662	9.9
195.13753	7.7
197.13242	44.4
199.14806	100.0
201.12732	4.3
201.16388	8.6
203.14333	16.3
205.15898	5.5
207.13782	14.8
209.13272	9.1
211.13124	7.2
211.14833	14.5
213.16345	15.9
215.14348	7.1
217.15858	22.4
221.13374	4.9
221.15271	4.5
223.14848	7.3
225.16415	11.2
227.17924	5.7
229.15834	5.1
237.16415	10.5
241.15807	6.0
243.17506	8.4
251.18042	8.0
255.17325	3.7
261.18503	14.8
269.19104	4.5
273.18536	8.1
275.20026	7.4
281.22607	6.1
287.20044	12.5
293.22653	5.9
311.20102	6.0
311.23590	7.3
327.23154	4.1
337.21472	4.0
359.03036	4.2
369.27731	22.3
375.26761	12.4
381.27872	23.4
393.27859	53.3
399.28827	11.1
411.28906	35.8
429.11288	4.7
429.20642	4.2
429.30008	47.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2632
Annotation	Graviphane
Peak:m/z	Relative Intensity
55.05495	8.1
57.01762	1.7
57.07060	4.9
61.46355	1.9
61.55048	1.9
67.05503	11.0
69.03422	4.7
69.07063	26.4
69.52129	1.9
71.04993	7.6
71.75905	3.0
79.05482	10.8
81.03401	2.8
81.07047	15.1
83.04964	4.3
83.08589	3.4
91.05446	14.7
93.07030	40.8
95.04971	5.3
95.08594	13.6
98.98518	1.9
105.07017	29.3
107.08584	41.0
109.06510	4.5
109.10158	12.5
113.05966	4.0
117.06992	6.9
119.08550	15.2
121.06490	8.3
121.10136	71.4
123.04412	3.0
123.08071	6.1
123.11717	9.9
129.07050	2.8
130.07761	2.8
131.08545	7.1
133.06459	3.2
133.10115	23.3
135.08029	6.7
135.11685	53.4
137.09593	6.5
137.13203	3.5
139.11168	2.9
143.08568	4.1
145.10109	45.3
147.08054	2.2
147.11703	8.8
149.09627	10.6
151.07376	2.2
151.11101	2.7
151.55400	2.2
155.08453	2.8
157.04906	3.8
157.10161	5.5
159.08054	16.6
159.11697	6.4
161.09598	3.7
161.13280	3.0
163.07541	2.6
163.11171	100.0
165.05417	4.7
165.09125	17.7
167.07019	2.2
169.10173	3.1
171.08047	2.2
171.11678	5.3
173.09627	6.8
173.13206	4.9
175.11133	3.2
177.09111	5.7
185.13181	4.4
187.11185	2.7
187.14809	3.0
195.08069	2.3
195.48528	2.2
197.08011	2.4
197.13235	5.3
199.14821	3.1
200.08043	2.1
201.09143	20.3
201.12825	2.8
205.08551	10.1
205.12224	2.3
209.08080	3.7
211.11150	2.6
211.14801	4.4
213.16260	5.5
215.18024	2.2
219.10158	4.8
221.11600	2.9
223.09532	12.5
225.12820	4.3
227.14247	2.0
229.12350	3.1
237.12614	2.3
243.13991	2.9
243.21025	3.2
247.11098	2.6
253.12494	4.5
253.19441	2.3
255.21010	7.7
257.11722	3.1
265.12122	3.4
267.13803	3.3
271.13245	20.7
271.20599	9.1
273.14719	3.6
273.21967	2.9
275.12622	2.1
281.18924	4.6
285.14841	4.5
289.14432	15.1
293.13736	2.1
299.19928	2.9
307.17184	2.1
309.15259	4.0
317.21078	4.0
323.19974	4.2
325.17917	6.9
341.21118	23.0
343.19086	13.7
351.19699	2.8
359.21982	4.1
361.20041	12.1
375.23099	7.3
393.24222	29.0
411.25253	38.2
415.57455	2.1
429.26190	22.1
429.31879	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	429.2117
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	9.5
55.01862	14.6
55.05509	18.9
57.03432	31.9
61.02923	30.4
67.05493	44.2
69.03424	39.7
69.07063	12.4
70.06590	22.0
71.01344	7.8
71.04984	11.1
71.75151	3.9
72.08146	9.2
73.02911	17.1
73.04750	3.6
79.05482	41.0
81.03411	100.0
81.07050	53.0
83.04990	17.5
83.08641	20.6
83.09093	4.7
84.04467	3.9
84.08134	11.4
85.02902	49.7
85.06543	5.0
86.09681	18.3
87.04468	6.1
91.03960	12.4
91.05424	43.8
93.07043	34.3
95.01340	5.3
95.04961	89.7
95.08597	23.5
97.02879	44.0
97.06514	13.5
97.10176	13.9
99.04445	16.5
101.02372	4.8
103.03935	10.3
105.03358	3.4
105.07031	43.7
106.35382	3.8
107.04947	28.9
107.08577	30.4
109.02906	22.3
109.06506	13.9
109.10135	12.7
111.04452	8.1
111.08064	10.4
115.05439	7.5
116.06283	4.1
117.07014	17.8
119.04932	6.1
119.08571	36.9
120.08067	4.9
121.06506	19.1
121.10145	22.4
123.04409	53.1
123.08035	13.3
125.09651	4.6
127.03881	17.9
128.06244	6.8
129.05461	5.0
129.07018	23.3
129.10249	3.7
131.04933	6.4
131.08569	16.0
132.05786	4.0
133.06474	16.1
133.10135	16.1
135.04430	7.4
135.07996	10.2
135.11679	11.0
137.05952	8.9
137.09639	4.0
141.06956	6.0
143.08536	8.5
145.06500	6.2
145.10104	21.5
147.04417	13.1
147.08017	17.7
147.11671	14.1
149.05933	7.7
149.09592	12.7
153.09116	7.3
157.10089	16.1
159.11647	3.9
161.05978	12.4
161.09625	10.0
161.13208	6.1
163.03868	3.8
163.11162	23.0
165.12801	4.4
167.05675	6.7
167.07062	31.8
169.06508	5.9
171.11670	10.5
173.05984	5.6
173.09586	9.0
175.07521	48.0
175.11157	14.8
177.09019	6.9
187.07524	6.6
189.05365	4.3
189.11163	4.7
189.12749	13.4
191.07126	5.1
191.10661	7.7
193.08563	23.7
193.12224	44.6
201.09035	4.8
205.12239	8.6
207.13812	12.6
211.13235	34.6
217.12210	8.3
221.15326	4.5
223.13229	7.5
231.13821	11.7
235.13254	75.2
249.14867	15.1
253.14268	5.7
259.13278	18.8
267.12936	5.7
267.15921	31.4
273.14856	31.1
277.14310	8.1
278.05655	7.5
289.14355	5.4
291.06500	10.0
299.05350	8.4
301.14313	20.9
309.16870	34.5
321.07535	12.7
327.04800	5.7
329.07169	4.6
337.16428	6.2
351.18103	5.3
355.15451	12.5
359.02795	9.3
375.08380	4.8
375.18076	17.9
393.09653	6.8
393.19064	11.2
397.24136	7.5
411.06604	4.8
411.19800	11.3
411.25189	8.6
429.08563	4.9
429.16541	4.8
429.20871	70.4
429.25507	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	429.2092
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05489	0.4
56.05038	0.5
57.03427	0.4
57.58618	0.4
59.50438	0.3
61.02941	0.4
68.90886	0.4
69.03406	1.1
69.07079	0.8
70.06217	0.5
70.06590	7.1
71.74487	0.7
72.08141	4.3
73.02889	0.5
73.04731	0.7
74.06070	0.7
79.05512	0.5
81.03414	1.2
81.07052	0.5
84.04497	1.3
84.08147	2.4
85.02896	2.1
86.09702	5.7
91.05859	1.9
93.07037	0.7
95.04948	1.0
95.08619	0.7
97.02872	0.7
97.06533	0.5
102.05547	0.5
105.07018	1.5
107.04980	0.4
107.08588	0.7
108.20792	0.5
109.06473	0.6
110.07214	0.4
112.11237	0.5
114.09157	0.7
115.08701	0.4
116.07090	0.6
119.08556	0.8
120.08070	1.1
121.02863	1.1
121.06562	0.5
121.10150	0.7
124.07564	0.5
127.03909	0.5
127.08649	0.6
129.10239	1.0
133.06436	0.8
145.10063	0.5
149.09625	0.6
161.05992	1.4
167.05562	0.7
175.11903	0.6
178.06281	1.3
186.07436	0.4
187.10844	0.5
189.12761	0.7
193.08624	1.3
203.05275	0.8
221.13164	0.4
246.21774	0.4
249.14700	1.1
267.15668	0.7
268.16580	0.6
271.17648	0.4
283.05685	0.4
297.06656	1.4
299.05594	0.5
315.05008	0.7
323.08301	0.5
351.07663	1.0
355.07605	0.5
359.02698	0.7
370.05148	0.5
371.16763	1.8
392.90308	0.4
393.09702	0.5
401.10373	0.7
411.10764	0.5
411.20123	2.0
429.20981	100.0
430.21213	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1863
Annotation	Unknow
Peak:m/z	Relative Intensity
54.48734	0.9
58.77349	0.8
60.04516	0.9
61.58162	0.9
63.50162	0.9
69.03413	1.7
70.06586	62.2
71.06885	1.0
71.21152	1.9
71.21531	1.6
72.08146	1.3
73.02934	1.3
73.04745	2.9
79.05463	1.5
81.03400	1.0
84.08115	1.8
85.02887	2.2
86.09714	1.3
91.05806	15.5
97.02862	1.8
98.97552	1.2
98.98488	1.4
105.99441	1.0
106.06554	3.5
107.43796	1.0
116.07079	100.0
134.06006	5.1
136.06180	1.2
143.78073	0.9
147.04411	1.6
149.04501	1.0
152.07060	4.0
158.97366	2.2
167.05516	4.7
234.98973	6.3
237.02895	1.2
253.00090	1.5
267.13403	1.6
323.02194	4.0
342.99667	1.8
351.01373	1.4
359.02765	7.5
360.02573	1.1
369.02893	1.4
370.04691	1.5
429.13358	1.3
429.18704	4.1
454.72473	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1882
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52736	3.3
53.91470	3.1
54.45033	3.5
55.01868	4.6
55.05495	6.7
55.28905	3.3
56.96554	14.2
57.03442	3.8
59.06103	8.5
61.02930	3.6
67.05496	7.9
69.03410	10.5
70.06585	16.8
70.99556	8.7
71.20599	3.6
72.08139	10.6
72.50418	3.3
79.05484	8.4
79.90239	3.7
81.03414	9.5
81.07037	8.8
83.04971	6.2
83.08582	3.2
84.04488	5.6
84.08138	11.3
85.02879	14.4
86.09693	9.7
87.04456	4.0
91.05465	8.6
93.07014	6.8
95.04961	9.6
95.08568	7.5
97.02869	4.6
98.97555	13.9
99.04466	4.1
104.86812	3.2
105.07014	7.9
107.04913	5.4
107.08575	8.2
108.08104	3.5
109.06521	4.8
109.10130	8.4
116.98629	5.7
119.08559	12.0
121.02819	4.2
121.10044	5.5
123.08035	6.2
127.03910	4.5
131.08507	4.4
133.10060	8.0
135.08099	5.0
137.09608	4.9
143.45760	3.2
145.10109	5.5
147.08057	3.6
147.11641	4.7
153.17657	3.4
161.13199	4.3
173.13223	8.0
189.04333	11.4
189.12753	6.0
191.14218	4.9
207.05354	5.5
211.06494	4.0
232.16862	6.4
249.11696	4.3
250.17995	14.6
267.12570	14.3
285.13647	33.7
309.13702	31.6
315.04959	15.8
327.14728	25.0
350.16220	5.5
355.08047	5.7
359.03021	7.1
411.06888	4.3
411.20190	5.6
429.08246	10.0
429.18854	100.0
430.19693	5.9
430.24243	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	429.2095
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91486	0.3
59.04971	0.4
59.06121	0.3
60.04503	0.5
69.03416	0.8
69.07035	0.4
70.06584	4.7
71.06927	0.3
71.39301	0.5
71.39639	0.3
72.08153	2.0
72.63015	0.3
73.04739	0.6
79.05456	0.3
81.03404	0.4
81.07056	0.5
83.04958	0.6
84.04503	0.9
84.08157	1.8
85.02898	2.0
86.09703	1.9
87.05556	0.4
88.03986	0.3
89.03365	0.3
91.05836	2.4
95.04962	0.7
95.06056	0.4
95.08600	0.3
97.02884	0.7
97.63971	0.4
105.07013	0.7
110.07153	0.4
110.09584	0.3
112.11266	0.4
116.07130	0.5
116.49273	0.3
116.98571	0.3
118.37442	0.3
119.01906	0.5
119.04906	0.3
121.10133	0.4
129.10245	1.0
136.07619	0.5
137.06041	0.4
139.04997	0.3
161.09662	0.5
166.07262	0.6
167.05542	0.9
167.06978	0.6
174.05458	0.5
176.62074	0.3
187.10832	0.3
193.08659	0.4
203.05234	1.9
203.10449	0.4
215.13916	1.0
237.10167	1.9
249.14769	0.8
255.45218	0.3
267.15060	2.5
268.09723	1.3
300.10492	0.4
359.02890	1.6
371.16855	1.4
411.20230	0.4
429.11526	3.0
429.20953	100.0
430.21222	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1805
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.8
55.01871	1.4
55.05506	5.2
56.05025	1.4
57.03428	0.9
58.71421	0.7
58.99575	4.5
64.26297	0.9
67.05499	3.2
68.05038	2.9
69.03428	3.5
69.07066	2.2
70.06572	2.2
71.05013	0.8
71.73273	1.2
72.08148	2.4
73.04752	1.1
74.04765	0.9
76.02229	4.3
79.05487	6.5
80.05042	1.1
81.00289	0.9
81.03423	2.9
81.07053	47.4
82.06575	1.8
83.08618	1.7
84.04501	51.4
84.08110	1.0
85.02902	5.2
86.06079	1.2
86.09710	4.0
86.99051	2.9
88.02200	1.1
88.56036	0.8
90.05563	2.0
91.05490	3.2
93.04528	2.2
93.05779	1.5
93.07043	2.6
94.06543	3.8
95.04964	2.2
95.06097	1.5
95.08618	3.3
96.04486	1.4
97.02865	2.0
97.06557	1.0
97.10173	1.3
98.09679	1.4
99.04478	1.1
105.07024	3.2
107.04932	1.4
107.08585	3.2
108.08115	28.0
109.02855	2.6
109.10162	1.9
110.06024	1.2
114.03780	1.0
114.05531	15.0
114.06316	0.9
116.01676	16.4
116.07088	0.9
119.08591	2.7
121.04052	1.1
121.06535	0.9
121.10163	2.2
122.05980	1.9
122.09630	2.4
123.08044	0.9
124.02173	2.9
127.03938	2.6
128.07111	1.8
130.04996	52.9
132.08113	0.8
133.10233	1.1
135.11652	0.9
136.11179	1.3
137.06003	1.4
139.04962	2.1
140.07048	2.9
142.03319	1.2
142.04994	27.1
143.08679	0.8
144.01131	7.9
145.04950	1.6
145.10132	1.6
147.11685	1.3
150.11520	2.3
151.07516	1.7
156.06531	12.3
156.08397	11.3
161.09589	0.9
163.11139	1.2
164.10730	1.7
166.06859	7.4
167.04462	1.0
167.06981	2.0
168.06561	9.1
169.07634	1.1
170.02596	0.8
176.03740	13.6
183.09531	4.7
193.12248	0.8
201.08992	1.0
210.11238	52.7
211.11644	1.1
219.02202	0.9
233.11119	1.1
237.12325	100.0
238.12608	2.8
241.09720	1.2
254.24828	1.1
259.10730	1.6
273.12738	1.3
295.11166	1.9
312.13727	22.4
313.13876	0.8
340.13315	8.3
359.03104	1.3
402.16681	2.5
412.15427	2.8
429.17889	1.8
434.10309	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1503
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	1.0
57.03425	1.1
61.02916	2.6
62.07166	0.5
69.03422	6.0
70.02925	0.6
70.06588	0.6
71.01350	0.5
71.39712	1.2
73.02891	1.2
73.04736	0.6
74.02442	4.5
79.05492	4.6
81.03387	2.0
82.91936	0.4
84.08117	0.6
85.02460	0.5
85.02898	7.3
87.04430	0.9
88.03983	10.3
91.03942	1.2
97.02869	3.6
99.00784	2.2
99.04426	0.6
105.03376	0.7
106.05875	0.9
106.06544	11.1
107.04939	10.3
109.02852	1.5
116.03441	7.4
116.04920	0.5
118.96860	0.5
127.03886	1.4
130.06494	1.1
132.06799	8.7
132.08012	2.5
133.07599	29.1
134.04483	5.6
134.05992	1.8
136.06197	3.4
143.04430	0.5
143.06029	2.9
144.02869	2.3
145.04863	0.9
145.07565	1.0
151.08650	2.7
157.07524	0.8
158.06046	1.2
159.09164	3.8
161.05710	1.0
161.07063	3.3
162.05490	0.8
171.05525	1.0
176.07066	0.9
185.07100	6.2
189.06560	1.0
203.08226	2.5
204.06630	0.8
213.06555	0.9
222.07655	1.4
231.07645	3.7
233.74590	0.5
249.08669	4.7
267.09726	100.0
268.10065	1.8
342.99585	0.6
429.14993	35.0
430.15488	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.0813
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36843	0.7
53.03935	1.2
55.01855	2.6
55.05500	3.5
57.07048	0.8
59.04976	1.1
62.94288	0.6
67.05495	5.9
67.88670	0.8
68.99780	1.3
69.03410	2.6
69.07048	2.9
70.06218	1.4
70.06585	22.7
70.08977	3.8
71.04979	0.8
71.06918	1.1
79.01412	1.0
79.01839	8.2
79.05487	5.3
80.24461	0.7
81.03406	3.7
81.07043	9.8
83.04961	2.3
83.08602	1.4
85.02892	2.0
85.06522	1.3
86.09685	2.8
89.06049	0.9
91.05399	3.4
93.03389	1.1
93.07039	7.0
93.57451	0.6
95.04943	3.0
95.08596	8.6
97.02875	1.6
97.06519	1.8
97.10139	1.5
98.98455	0.7
99.04437	1.7
105.07018	6.9
107.04922	0.8
107.08588	6.4
109.02866	3.0
109.06503	2.5
109.10133	5.2
111.04448	0.9
111.08041	1.4
113.05970	1.1
116.06286	0.9
116.07079	12.5
117.03358	0.9
117.06908	1.2
119.08572	6.4
121.06487	1.3
121.10157	3.8
123.04369	0.8
123.08030	2.7
123.11699	3.1
125.09602	2.0
127.03896	2.2
129.06976	1.2
131.08533	2.0
133.10114	3.3
135.04391	5.8
135.08054	1.7
135.11694	2.2
136.05167	1.4
137.02327	31.1
137.03358	1.1
137.05945	3.0
137.09563	1.9
137.13289	0.8
139.03860	0.8
139.11111	0.9
143.08533	1.5
145.06439	0.7
145.10109	3.4
147.07959	0.9
147.11674	3.7
149.02345	1.4
149.09612	3.3
149.13281	1.3
151.07495	7.0
157.10117	1.9
159.04410	1.0
159.08101	1.0
159.11670	1.0
161.02307	5.4
161.05942	2.3
161.09605	0.9
161.13281	1.6
163.03864	5.8
163.11154	2.0
165.05421	0.7
165.09090	5.9
165.12715	1.0
166.09390	0.8
167.05630	1.2
167.07054	1.5
169.10104	0.7
171.11682	2.0
173.09567	0.8
173.31284	0.7
175.07515	1.4
175.11176	1.1
176.04698	0.6
177.01833	3.0
177.05420	1.1
177.09103	1.7
178.02571	1.8
179.03381	4.8
179.06929	0.7
181.12173	1.0
183.02846	1.3
185.13190	0.8
187.03888	5.0
187.14874	1.1
189.01811	2.7
189.09137	0.8
191.03415	1.5
191.10681	1.7
192.57890	0.7
193.12245	1.2
201.05437	1.0
203.03436	0.9
203.14333	1.1
205.01344	1.3
205.04918	13.3
205.12209	1.1
207.02864	3.3
207.06520	2.2
209.38028	0.8
222.06718	0.8
229.04884	9.0
231.02863	1.5
231.13902	0.8
233.04407	16.9
247.06001	8.2
249.03914	2.4
250.06299	1.6
251.05309	1.6
267.06656	1.5
271.06107	1.8
273.04013	1.0
273.14920	0.9
275.05475	21.2
277.03394	12.4
277.21552	1.1
278.05920	1.1
279.06500	2.2
281.04449	3.0
282.05106	1.2
287.05405	8.6
295.06036	9.8
296.06781	2.6
299.05463	57.0
300.06244	1.0
302.04169	1.1
309.07608	0.9
311.05466	41.2
312.06073	2.5
313.07025	52.9
314.07565	2.5
315.04904	2.7
323.05533	1.5
324.06180	12.4
339.04956	55.6
340.05695	13.5
341.06421	1.4
357.05945	1.1
359.02740	1.1
367.08105	18.0
385.09125	37.0
393.09436	1.0
410.28809	1.4
411.07059	62.2
411.29047	2.3
412.07449	2.0
429.08136	100.0
429.34125	2.1
430.08456	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.3155
Annotation	Tortifolisine
Peak:m/z	Relative Intensity
52.07205	0.9
55.05498	1.4
55.75262	0.9
58.95802	0.8
59.74623	0.9
60.29182	0.8
62.35610	0.9
62.74541	0.7
67.05515	4.7
67.05800	0.9
69.07036	1.1
70.29172	4.1
79.05482	2.1
81.07058	6.3
91.05481	1.4
93.07020	3.3
95.08568	4.6
103.05450	6.0
105.07030	1.2
107.08611	1.4
109.10170	2.4
118.69183	0.9
119.08558	1.2
120.08092	100.0
131.04836	1.7
133.10170	1.0
149.05940	1.1
157.96034	0.9
160.50366	1.0
161.13191	1.2
166.08626	45.0
175.14804	1.0
180.26929	0.9
184.18947	0.9
199.40599	0.9
245.22739	2.0
248.52971	1.0
263.23660	1.1
306.29562	1.0
382.31064	1.3
384.03723	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.264
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	5.4
53.50308	3.3
55.01870	3.8
55.05511	9.7
57.68602	3.2
65.89185	3.3
67.05501	27.7
68.06706	3.4
69.07052	9.2
71.72918	5.5
72.08168	4.9
79.05496	25.3
81.07050	76.1
83.08605	8.3
84.64514	3.0
91.05422	19.8
93.07063	23.8
95.08609	18.6
105.07008	26.9
107.04951	9.5
107.08593	11.8
109.06505	24.8
109.10126	8.9
111.08023	3.9
113.32122	3.2
114.10407	3.1
117.07012	7.5
119.08588	17.2
121.06518	5.5
121.10115	9.2
123.08054	3.7
123.11671	5.1
127.89674	3.2
131.08592	10.6
133.10194	19.8
133.11070	4.3
135.04382	4.6
135.08035	6.3
135.11708	5.6
145.10117	12.8
147.11687	15.0
149.02420	3.7
149.09622	6.2
151.07561	5.7
151.11290	4.1
159.11618	5.3
161.13200	3.4
163.11200	6.9
171.11549	4.0
175.11102	6.3
193.05138	3.2
239.18013	3.6
257.19012	11.5
275.20041	100.0
275.23047	4.9
276.20389	5.7
293.21094	51.1
359.02600	3.7
429.11658	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	428.2826
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82493	0.7
52.14521	0.7
52.73079	0.8
55.05495	3.3
55.21601	0.7
56.05032	50.6
56.81446	0.7
57.03430	1.5
57.07061	0.8
58.06579	1.4
59.55282	0.7
61.01129	1.5
65.00626	1.6
65.73990	0.7
67.05497	11.3
69.07056	5.4
70.06590	0.8
71.75674	0.9
74.02435	83.8
74.06077	4.2
75.02271	1.5
75.02699	30.2
79.05479	4.7
81.07050	7.6
83.01334	1.0
83.08595	2.3
85.02863	1.0
91.05456	2.2
93.07035	4.2
95.08588	7.1
97.10199	0.8
98.06064	0.8
100.03966	1.1
102.05532	13.8
104.21975	0.7
105.07018	2.4
107.08592	3.0
109.10172	2.9
119.08533	2.0
120.04836	1.0
121.03120	1.6
121.10141	2.1
131.01601	1.9
133.10112	1.5
145.10054	0.9
148.04247	2.3
149.02666	24.4
149.13310	0.8
156.06491	1.0
161.13249	0.9
166.05325	100.0
167.05573	1.8
266.44144	0.8
290.24725	2.5
293.19067	0.8
318.27881	13.4
351.87665	0.7
364.28433	84.9
365.28683	3.6
410.27060	2.4
412.11505	0.8
422.46179	0.8
428.28049	1.8
440.02838	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	3.7
57.03429	6.0
61.02918	9.0
61.63753	2.3
69.03425	15.0
69.07066	17.2
70.06583	46.6
71.04976	4.9
71.48697	3.7
71.49021	3.1
72.08154	13.6
73.02895	2.9
73.04748	4.0
81.03413	8.2
81.46326	2.3
84.04497	7.8
84.08118	13.5
85.02900	100.0
86.03267	3.2
86.06023	3.6
86.09708	11.0
87.04498	3.4
91.03951	7.8
91.05407	5.4
91.05890	3.6
94.36346	2.6
97.02888	26.1
99.04455	5.7
109.02887	8.0
110.07143	4.9
120.08069	3.1
127.03926	25.4
129.10228	8.4
136.06209	9.2
145.02864	3.2
145.04961	53.6
163.03870	6.7
163.06020	30.9
167.05606	3.0
173.12865	5.5
177.05453	4.1
187.07378	2.4
323.84555	2.4
325.11081	3.2
328.69156	3.8
359.02676	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	428.191
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04731	1.0
55.01862	3.0
55.05495	4.4
57.41105	1.2
58.06601	1.2
58.75948	1.1
61.02909	3.2
65.03914	1.4
67.05496	8.8
68.05024	2.3
69.03406	2.5
69.07047	2.7
70.06573	3.5
70.98747	2.1
70.99084	1.6
71.99518	1.1
72.08138	2.8
73.02888	1.7
79.05486	7.7
81.03428	8.0
81.07047	10.0
82.03696	1.4
83.08613	2.3
84.04476	2.3
84.08118	2.1
85.02884	3.4
85.06541	1.3
85.31438	1.1
86.09673	1.4
87.04456	1.5
91.03964	1.3
91.05458	14.5
92.05811	1.7
93.07043	6.9
94.06565	1.5
94.12534	1.0
94.36068	1.1
95.04938	3.6
95.08603	6.3
96.04469	2.5
96.09022	1.1
96.12660	1.2
97.02894	1.6
97.06479	1.6
97.10099	1.1
98.06062	1.2
105.07008	3.9
107.04936	3.7
107.08577	2.7
108.04469	1.4
108.08076	1.9
109.02865	2.1
109.06486	2.4
109.10139	2.9
110.06008	2.1
114.10304	1.2
117.07019	2.2
119.04956	1.7
119.08561	4.6
120.08101	2.0
121.02845	2.1
121.06493	2.6
121.10130	1.8
122.06004	3.4
124.07590	2.4
128.03395	3.4
129.06979	4.0
131.04892	1.7
131.08548	3.9
133.05183	1.5
133.06468	2.2
133.10094	2.6
133.47682	1.2
134.05983	4.5
135.04428	1.8
136.03909	4.0
137.02332	1.6
142.07732	1.4
143.08521	2.8
145.06407	2.0
145.10059	1.5
146.05965	5.5
147.04343	1.7
147.07996	1.3
147.11656	2.2
148.07538	3.4
149.06047	1.2
150.05502	9.4
152.07083	1.9
155.06056	2.5
157.06396	1.2
157.10028	1.9
160.07559	4.4
162.05463	10.1
162.08986	1.7
163.03867	1.4
163.11188	1.4
164.07050	2.0
169.07564	5.2
171.11688	3.4
172.07509	1.8
173.13191	1.4
174.05466	8.4
176.07051	6.7
177.12721	1.6
178.04991	9.2
178.12976	1.7
183.05486	3.0
184.07434	1.2
188.07007	6.0
188.14284	1.7
190.05145	1.7
190.08566	1.7
193.07599	1.9
195.05527	4.1
196.06161	4.8
197.07054	3.1
198.12828	2.0
199.11140	3.5
200.10747	1.3
202.04921	2.1
202.08627	3.0
202.12361	2.0
208.14117	2.3
209.09511	1.6
213.06506	2.3
216.13832	7.5
221.07169	3.7
225.06549	5.8
226.12256	5.3
227.10510	1.9
229.06064	3.7
234.14830	3.4
239.08162	5.0
244.13335	16.0
245.11642	2.5
246.15050	1.2
249.06343	1.4
253.06044	1.5
254.11703	3.4
258.14792	7.1
262.14371	9.3
267.07675	1.5
268.13281	5.5
271.07089	4.9
272.12680	6.9
285.08582	4.1
286.14407	13.5
289.14252	1.5
290.13876	21.0
295.07080	5.3
304.15442	15.2
308.15637	2.9
310.23654	2.0
313.07959	7.4
314.13788	8.9
322.16458	2.3
326.16745	2.3
331.09171	2.0
332.14905	100.0
333.15164	4.2
350.15955	76.5
351.16226	3.7
368.12424	4.1
368.17017	3.0
384.27402	6.8
392.17007	1.7
410.13208	6.5
410.18051	13.1
410.25107	3.8
428.14294	15.0
428.19626	11.9
428.26324	8.8
429.16254	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.1661
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.1
61.02903	4.2
61.93310	1.6
67.43355	1.4
69.03432	11.5
70.02940	6.6
70.06577	6.5
71.74761	3.0
73.04043	1.4
73.04745	2.3
79.05511	7.0
81.03400	6.1
81.49120	1.4
84.04538	1.6
84.08145	3.0
85.02892	15.6
86.09699	43.6
87.05584	60.4
88.03966	6.6
91.03924	1.6
91.05783	5.2
97.02877	12.1
98.02383	8.8
99.00787	5.3
99.04446	1.7
104.05240	1.4
106.06543	19.6
107.04939	16.5
109.02871	2.1
110.01901	1.6
110.07170	1.8
114.12109	1.4
115.05064	15.3
116.03422	9.4
127.03853	3.0
129.10255	2.0
132.06841	2.4
132.10191	33.6
133.06061	3.0
133.07603	81.9
134.04498	1.8
134.06007	4.8
134.07904	3.3
135.43581	1.5
136.06175	30.6
143.04504	6.0
145.04965	1.9
145.07564	2.2
150.05469	3.2
151.08652	77.8
157.07617	1.8
158.06039	2.6
159.09151	1.7
161.07127	2.3
167.05527	2.0
185.07077	8.8
189.06572	1.8
195.48727	1.7
203.08128	2.6
213.06660	2.9
221.09221	2.9
230.09300	2.1
231.07669	8.4
249.08681	19.5
266.11337	100.0
267.09644	36.7
313.13782	7.2
359.02933	3.4
401.00751	2.5
428.16632	78.9
429.15057	14.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.1
55.01861	1.3
57.03421	2.9
61.02911	2.8
69.03426	18.9
69.07050	1.1
70.06590	3.8
70.81621	1.8
71.01337	1.3
71.04964	0.8
72.08135	2.1
73.02930	3.3
79.05492	3.3
81.03426	3.2
84.04472	1.3
84.08128	1.4
85.02899	26.8
86.09699	8.5
87.04444	1.0
87.10029	1.7
91.05470	2.6
97.02886	19.1
99.04459	1.0
103.05457	1.1
106.06537	7.5
107.04944	3.9
109.02864	2.8
112.03969	1.2
114.05501	1.5
115.03915	6.3
115.38817	0.6
118.06532	5.4
120.08086	4.8
127.03938	3.6
130.06487	3.5
131.07303	0.7
132.06595	0.8
132.08073	1.9
134.06003	29.3
134.08000	1.0
136.07648	0.9
144.08086	3.7
145.04965	2.0
146.06018	2.5
148.07576	1.0
148.20448	0.6
158.06003	14.6
160.06143	0.9
160.07568	2.2
162.05498	1.1
172.07556	6.3
174.09154	1.3
176.07050	3.0
184.07520	2.8
186.05481	2.8
188.07086	1.2
200.07062	7.2
201.05470	1.2
201.13870	0.7
202.08597	1.6
202.14264	1.1
218.08159	0.8
219.14873	1.9
230.08153	2.1
248.09154	6.8
265.15472	2.4
266.10223	100.0
266.15793	6.7
267.10425	2.8
276.85400	0.7
295.05719	1.2
296.06354	1.3
308.06339	1.6
326.07462	1.5
338.07410	1.9
350.07349	1.1
352.09119	0.8
364.09433	0.9
375.60767	0.7
380.08453	1.5
392.08392	1.0
410.09445	2.3
428.10388	3.3
428.15417	3.8
428.20416	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	427.3566
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.9
55.05505	10.7
57.07061	7.0
65.03922	0.9
67.05495	7.1
69.07059	22.2
69.45212	11.0
71.08616	5.0
73.01282	1.1
79.05467	3.0
81.07037	9.2
83.04937	1.7
83.08611	10.1
85.10126	1.3
91.05466	2.6
93.07019	3.3
95.08604	7.4
97.10165	6.3
105.07008	2.4
107.08566	3.1
109.10135	7.6
111.11706	4.1
119.08553	3.3
121.06489	1.0
121.10104	2.9
122.07266	1.1
123.11674	2.1
131.08522	1.5
133.10071	1.2
135.08003	3.8
135.11676	2.0
136.46193	0.9
137.09602	10.7
137.13235	1.2
139.07477	1.5
145.10222	1.0
149.09624	9.3
149.13229	1.7
151.07533	2.2
159.11633	1.8
163.07562	2.0
163.11093	4.5
165.09096	100.0
166.09416	1.8
173.09554	1.7
175.07530	2.7
175.11105	4.4
176.08286	1.2
177.09114	8.2
177.12721	1.5
179.10677	2.2
189.09061	5.0
189.12697	2.5
190.09846	1.6
191.10654	7.5
202.09750	1.0
203.10664	10.5
203.14284	1.8
205.12206	11.8
216.11423	0.9
217.12228	2.0
219.13774	3.6
225.06329	1.0
231.13742	2.0
233.15242	1.9
245.15375	1.0
352.65491	1.0
399.32153	1.4
427.35681	8.3
428.36237	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	428.131
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	10.3
55.01860	15.6
56.05026	3.1
57.03421	9.4
60.08160	3.5
61.02905	6.6
63.02351	2.3
68.99784	3.9
69.03424	51.8
70.06584	31.6
71.01346	4.6
71.04986	5.3
71.75153	3.7
72.08136	9.7
73.02901	9.1
79.05482	5.7
81.03406	44.8
84.04498	6.2
84.08129	15.3
85.02898	86.5
86.09694	27.2
87.00829	27.4
91.03929	3.6
91.05447	40.0
93.07047	4.3
97.02889	41.1
98.98495	3.0
99.04439	17.8
103.05456	52.1
104.06277	21.5
104.10739	16.0
105.01846	22.7
105.07021	17.0
107.04921	5.5
109.02865	47.7
110.07164	6.7
111.04425	3.5
115.03922	3.1
115.05427	2.5
116.06263	4.4
116.07095	3.5
117.01816	6.3
118.06544	3.8
119.04927	45.1
120.08096	18.9
121.06492	18.1
122.03654	3.2
124.05187	23.6
124.99915	3.1
127.03896	60.3
129.01836	5.2
129.10239	9.7
130.06467	3.2
131.04910	100.0
132.05737	22.9
133.06471	50.1
134.05989	9.3
135.04436	2.8
136.06183	11.5
136.07533	3.6
137.05946	47.8
139.40541	2.3
145.04936	20.9
147.02864	6.1
147.04385	11.3
147.08028	2.7
149.05966	44.8
151.07504	23.8
152.08324	6.8
158.05960	4.0
159.02849	36.0
161.05981	10.7
162.06650	4.3
163.03918	3.3
163.07495	17.6
164.08319	95.9
165.09145	14.4
170.75327	2.3
175.07520	5.7
175.79892	2.4
176.08374	2.8
177.05386	5.7
178.06265	16.2
179.07021	49.2
180.00850	2.3
180.07806	32.2
184.07335	19.0
189.27469	2.5
198.05548	2.7
203.07031	2.9
204.07773	5.8
213.03957	3.2
221.08118	14.0
222.08810	5.9
231.04950	9.2
264.22729	2.5
266.10245	29.1
338.07608	2.8
359.02963	3.7
366.06717	4.5
410.09360	5.4
428.11380	3.6
428.20074	3.2
429.17548	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	427.3566
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99721	1.0
55.05509	5.7
57.07059	3.8
67.05495	4.2
69.07063	16.0
71.04459	1.1
71.08613	2.3
74.53410	0.9
78.95081	0.8
79.05476	1.3
81.07037	6.2
83.08614	6.5
85.10163	1.4
92.48307	1.3
93.06954	1.2
95.08594	5.4
97.10163	3.6
105.07034	1.2
107.08565	1.8
109.10180	6.0
111.11723	2.1
119.08552	2.7
121.10143	1.5
123.08119	1.0
123.11713	2.4
125.13291	1.2
135.08038	3.7
137.09613	10.1
145.10078	1.0
149.09612	7.4
149.13248	1.9
151.07516	2.4
159.11891	1.0
163.07565	1.1
163.11125	2.5
164.08269	5.4
165.09102	100.0
166.09427	1.3
169.87964	1.1
173.09615	1.4
175.07498	3.3
177.09114	4.6
177.12817	1.4
187.11102	2.1
189.09084	2.7
189.12825	1.6
191.10670	6.4
199.28485	1.1
203.10674	6.1
203.14268	1.1
205.12224	11.7
219.13863	1.4
229.11995	1.1
233.15439	1.0
235.09026	1.1
245.15276	2.1
264.51447	1.2
390.99936	1.1
399.32431	1.3
409.34863	1.3
427.15408	4.4
427.35696	8.5
428.15836	5.4
428.36505	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	427.2067
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48790	0.6
53.03903	0.8
55.01839	1.3
55.37272	0.5
56.04980	0.6
57.03395	1.3
60.04479	2.0
61.02883	2.1
65.03913	0.8
69.03421	7.2
69.07060	9.3
70.06585	7.3
70.86517	0.6
72.08103	2.3
73.02879	1.8
73.06502	0.8
79.05486	4.5
81.03354	2.5
81.06998	0.7
84.08128	3.6
85.02893	9.0
86.09700	43.8
87.04430	1.3
87.05546	1.0
87.09968	0.9
91.05416	2.2
93.06984	0.7
97.02876	4.4
98.20661	1.4
99.04364	0.7
103.05428	0.9
106.05905	0.8
106.06544	9.7
107.04956	8.2
109.02832	2.4
110.07130	0.9
113.10754	1.3
114.09167	0.9
115.07514	2.5
118.06498	2.2
119.04907	2.2
120.08099	3.1
121.02158	0.8
121.02853	7.0
129.10182	2.0
130.08589	1.1
131.05984	1.3
132.06825	8.6
132.10168	3.9
133.06700	1.1
133.07602	16.1
134.05945	2.2
136.07547	3.0
145.02765	1.0
145.04831	0.8
145.07573	1.6
146.05998	0.7
147.11264	1.4
149.05952	0.8
149.49953	0.6
151.08591	0.9
158.05963	0.7
160.88379	0.6
172.07591	0.8
173.06989	0.9
174.12712	1.6
175.03874	0.9
186.02731	0.7
191.03383	0.9
195.02887	2.0
201.12126	0.9
201.13860	18.1
203.03395	2.7
205.04703	0.9
207.02783	1.5
215.14053	0.8
217.04738	0.7
219.02896	0.7
219.14886	11.1
220.13194	1.4
220.44432	0.6
221.04297	1.1
223.10759	3.6
233.04503	0.8
245.04327	1.0
247.14421	4.9
265.15451	100.0
266.10291	4.1
266.15842	3.6
268.07196	0.9
279.06308	0.9
280.07074	0.8
294.05255	1.9
295.05945	10.7
296.06479	1.3
297.07532	1.1
307.05966	5.2
308.06717	3.7
309.07562	2.2
313.06741	0.8
318.08939	0.9
319.06137	1.2
320.06790	1.7
321.07565	3.7
322.08362	2.1
323.09140	1.6
325.07043	12.8
326.07236	1.4
330.08490	0.8
333.07513	1.9
334.08142	1.7
335.08972	3.0
337.06992	6.6
338.07431	0.8
339.08704	1.6
345.07745	0.9
349.06921	4.5
351.08682	7.1
352.09399	0.9
362.07748	0.7
363.08560	5.0
367.08112	1.8
373.06812	1.1
379.08096	9.0
391.08099	10.8
409.09125	11.8
409.14148	1.1
410.09473	2.3
427.10489	22.3
427.20633	61.3
428.10745	3.5
428.20755	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	427.1961
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48586	3.3
53.03926	6.8
55.01870	15.3
55.05499	8.9
57.03426	8.9
57.07057	3.9
61.02901	9.4
67.05492	28.5
69.03423	4.4
69.07053	12.4
71.04987	3.5
71.75533	2.7
71.75949	5.0
73.02910	2.8
79.05494	23.3
81.03412	48.7
81.07051	29.4
83.04980	4.5
83.08610	4.6
85.06546	5.0
91.05464	32.0
93.07035	35.1
94.57100	3.0
95.01321	5.2
95.04958	23.8
95.08604	18.6
97.02910	4.0
97.06499	4.6
97.10165	3.6
105.07029	21.5
107.04958	16.3
107.08594	15.4
109.02895	4.1
109.06498	7.8
109.10130	6.3
115.05495	4.6
117.07021	11.7
119.04943	4.8
119.08571	15.6
121.06506	20.7
121.10133	9.7
123.04414	3.5
123.08072	6.1
125.02353	7.8
129.06987	9.8
131.04900	3.3
131.08556	10.0
133.06454	5.5
133.10103	13.8
135.04387	7.9
135.08037	8.4
135.11687	6.3
137.05992	5.5
137.09618	2.9
139.03902	3.3
143.08592	4.3
145.10100	8.8
147.04422	7.8
147.08046	10.6
147.11719	6.6
149.05992	4.2
149.09616	4.3
149.13278	6.5
159.08087	4.7
159.11713	10.2
161.13303	8.4
163.03891	5.4
165.05492	3.3
169.10147	3.5
171.08038	4.0
171.11667	17.7
177.12776	12.9
189.12787	6.4
205.12308	5.1
207.13792	49.8
208.14197	4.3
233.15288	3.4
243.13876	4.2
261.14813	23.5
269.13638	3.7
271.13443	3.6
279.15912	7.1
287.05927	2.8
289.14331	47.0
291.15939	3.6
299.12936	3.7
307.15387	44.2
307.18707	5.2
317.13898	4.1
325.16470	29.3
335.14822	18.4
353.15952	8.0
361.10513	2.8
381.19290	3.7
393.50385	3.1
419.96588	3.2
427.19635	100.0
428.19730	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	427.1568
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15035	0.3
55.01853	0.4
55.05502	0.5
57.03434	0.3
57.04546	0.4
69.03407	0.4
69.38103	3.6
70.06593	2.1
72.08141	1.1
79.05488	0.3
81.03383	0.5
81.07045	0.5
84.04506	0.5
84.08147	0.7
85.02891	0.8
86.09701	0.6
91.05469	0.5
94.04054	1.9
95.04991	0.3
107.04953	0.3
110.07134	0.6
112.05051	0.4
116.07109	0.3
119.08571	0.3
123.04424	0.6
123.06648	1.0
127.03981	0.4
129.10286	0.4
135.05341	0.3
136.07506	0.4
150.07738	100.0
151.08046	1.3
191.98228	0.3
195.02910	0.4
203.03407	0.4
203.05273	0.5
203.12874	0.4
204.03902	0.3
238.08722	0.5
265.12601	0.4
272.02350	0.4
282.11981	0.8
295.06549	1.7
295.11465	19.5
296.11932	0.6
325.47153	0.3
343.06952	0.9
349.07196	0.7
378.19037	0.3
379.07919	0.3
409.08972	1.2
427.10620	1.5
427.19586	3.9
428.14508	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.196
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.7
55.01870	12.5
55.05512	9.9
57.03416	5.3
57.07074	3.8
61.02923	7.4
67.05499	21.1
69.03432	4.1
69.07072	15.0
69.84862	11.1
69.85278	4.4
71.05001	3.0
74.60595	2.0
79.05492	22.1
81.03417	41.8
81.07050	22.2
83.04957	4.9
83.08602	3.6
85.02923	2.3
91.05476	20.8
93.07037	22.1
95.01305	4.1
95.04974	14.0
95.08601	19.5
97.02885	5.2
97.06508	4.1
97.10164	4.2
98.07637	1.8
98.20715	4.2
101.16478	2.0
101.86349	1.8
105.07022	16.8
107.04964	13.4
107.08614	11.5
109.02900	2.5
109.06509	9.1
109.10158	6.9
117.07039	9.4
119.04942	3.2
119.08530	12.3
121.02830	2.2
121.06493	20.7
121.10146	6.9
123.04427	4.5
123.08045	4.8
125.02342	3.8
125.42874	2.6
127.03902	2.7
129.06993	6.6
131.04982	2.8
131.08615	10.8
133.06485	3.3
133.10130	12.5
135.04434	4.4
135.08054	5.3
135.11659	4.9
137.05908	2.5
137.09572	2.4
143.08553	5.7
145.06450	2.6
145.10127	9.1
147.04378	6.1
147.08049	5.9
147.11678	3.6
149.05969	3.5
149.13309	3.7
151.07559	5.4
155.08511	2.2
159.11687	6.2
161.13278	6.1
163.03891	3.8
163.11189	2.6
171.11697	7.9
177.12730	12.2
183.11613	3.0
185.36365	2.2
189.12756	7.2
195.13850	2.8
205.12186	4.1
207.13791	43.4
207.15660	3.4
215.14233	4.8
219.13861	2.4
233.15233	2.7
243.13918	3.7
261.14786	17.3
263.24271	2.3
265.14203	3.1
265.25253	4.3
269.13843	3.9
271.13443	2.7
279.15955	3.2
289.14316	38.9
291.15802	3.5
307.15402	38.9
325.16513	26.8
335.14920	20.6
353.15924	8.6
381.19058	5.5
409.18799	2.6
427.19623	100.0
428.20047	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	427.0165
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	1.7
55.93530	3.6
56.94289	3.6
60.95832	1.5
63.69193	1.3
69.03402	3.1
70.05327	3.9
70.05734	3.0
70.06590	1.5
70.95860	12.3
71.93038	1.4
72.93777	26.5
74.78889	1.4
81.03428	1.3
84.91167	13.3
85.02876	2.7
88.96892	5.2
90.94817	29.7
91.44131	1.4
97.83025	1.4
98.21482	1.7
102.94804	2.2
104.96344	1.7
108.95845	12.2
110.07125	1.9
113.96365	2.7
114.94833	2.8
117.03152	1.3
120.95804	2.6
126.94826	2.6
128.96350	2.3
130.97888	15.0
132.95816	74.7
134.97362	1.5
140.96294	2.3
144.95811	44.2
146.70515	1.3
146.97334	2.0
147.03218	1.6
148.98946	11.3
150.96867	57.3
155.97441	2.8
156.95856	4.8
158.97351	18.2
159.03221	2.4
160.95296	7.9
160.98987	2.5
162.96870	35.5
163.02655	1.8
165.00517	3.9
167.97487	1.7
168.95834	4.6
170.97418	4.1
172.98940	11.3
174.96877	26.6
176.98460	17.8
178.96336	7.3
184.07350	1.4
184.95322	2.5
184.98933	8.6
186.91661	1.4
186.96854	25.9
188.98534	2.1
190.99962	3.7
192.97945	10.8
198.96867	3.9
200.98421	27.4
202.96365	21.6
203.00008	9.4
204.94356	1.4
204.97925	7.1
210.96910	4.3
212.98492	6.6
214.96303	2.6
216.97957	5.8
218.99501	5.0
220.97380	8.6
226.96324	5.6
227.00224	1.7
228.97957	5.7
230.99556	3.4
234.98953	14.7
236.98589	2.1
238.96367	2.8
244.97412	11.3
246.95320	10.7
247.04941	4.6
253.00220	6.5
254.95851	2.3
256.97293	3.2
257.67569	1.6
264.96417	18.0
277.00134	1.7
282.97522	3.3
287.97919	2.5
288.96417	12.5
300.96466	3.1
306.97427	100.0
318.97421	53.3
336.98517	3.9
348.00037	2.4
366.99493	2.3
390.99704	5.1
409.00632	5.3
427.01559	3.4
427.06558	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.0163
Annotation	Unknow
Peak:m/z	Relative Intensity
55.93512	2.5
56.94287	4.4
60.95835	2.1
69.03415	3.2
70.95853	12.9
71.48880	2.3
71.49247	1.5
72.93781	32.7
76.68266	1.2
81.03360	1.7
84.91186	12.4
85.02887	3.0
88.30894	1.1
88.96909	8.9
90.94817	39.0
95.01279	1.2
97.02887	2.4
102.94812	2.6
103.00564	1.3
104.96394	1.2
106.64283	1.3
108.95851	14.0
109.02855	1.7
111.98454	1.4
112.96885	2.1
113.96400	2.8
114.94810	2.6
114.98438	1.3
116.96345	2.5
116.98582	1.2
117.12024	1.3
119.01888	1.9
120.95857	2.2
121.01650	4.0
122.00291	1.2
126.98348	1.4
128.96310	3.2
129.99542	1.2
130.97914	15.7
131.96046	1.6
131.97408	1.6
132.95825	77.2
140.96330	1.3
142.94218	1.6
142.97954	1.4
144.95811	42.8
145.01601	2.3
146.97368	4.3
146.99490	1.7
147.03224	2.2
147.67664	1.3
148.98940	15.4
150.96883	61.6
155.97418	4.9
156.95818	5.5
156.99471	1.5
158.97371	20.0
160.95285	7.2
160.98926	1.6
162.03151	1.5
162.96873	50.2
163.02673	5.3
164.98401	1.5
165.00511	3.2
167.97382	2.4
168.95816	5.6
168.97832	1.8
170.97314	2.6
172.98973	16.4
174.96861	34.0
175.02739	1.4
175.04636	2.2
176.98412	22.1
178.96356	11.0
182.97369	1.4
183.96933	1.9
184.95256	1.7
184.98940	11.4
186.95302	2.5
186.96881	30.9
186.98572	1.6
187.02681	3.8
188.98476	2.7
189.04211	1.7
190.98375	1.4
190.99974	6.8
192.97937	13.3
198.96906	6.8
199.02650	1.7
200.98425	34.1
202.96356	24.5
202.99968	11.2
203.12660	1.6
204.97984	7.7
205.03760	1.5
210.96815	3.6
212.98412	8.9
214.96327	4.4
215.99532	2.3
216.97934	7.1
218.99496	4.7
220.97432	8.3
224.98425	2.1
226.96291	6.3
227.00130	2.8
227.99515	1.4
228.94269	2.7
228.97894	6.0
230.99474	3.9
234.98950	15.0
238.96329	3.0
242.99344	1.6
243.99074	1.4
244.97417	13.3
245.05067	1.9
246.05115	1.8
246.95407	12.0
247.04892	8.7
253.00212	9.0
254.99329	1.7
256.97339	5.0
258.00549	1.9
262.98517	1.9
264.96411	19.9
265.05878	3.7
270.99289	1.6
282.97516	3.7
287.98032	2.4
288.96432	13.6
300.96371	2.6
303.01688	2.3
306.97449	100.0
307.97662	3.1
318.97455	52.3
329.98804	1.5
336.98422	5.6
342.97546	2.1
348.00134	1.9
366.99347	3.1
390.99426	4.1
397.90018	1.4
409.00528	6.3
425.10223	1.4
427.01205	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	426.2849
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03912	0.3
55.04244	0.6
55.05500	2.1
65.03911	0.5
67.05502	1.8
68.05014	2.1
69.03394	0.9
69.05803	2.9
69.07047	1.5
70.06229	0.6
70.06583	9.1
70.54321	1.1
71.04960	0.5
71.06890	0.3
72.08138	0.4
73.02871	0.3
79.05470	1.1
80.05004	0.5
81.03389	0.5
81.07040	3.1
82.06568	1.4
82.07342	0.3
83.04934	0.7
83.07341	4.0
83.08578	0.9
84.08132	3.0
89.06041	0.3
91.05473	6.5
93.07030	1.7
93.45782	0.3
95.04932	0.8
95.08597	1.6
96.08105	0.3
97.06456	0.4
97.10130	0.5
100.11234	0.4
105.07001	1.4
106.07314	0.3
107.08564	1.1
109.06502	0.6
109.10130	1.1
110.09624	0.3
111.06864	0.3
112.07616	0.3
113.18297	0.3
114.05479	0.5
115.30254	0.3
116.07071	4.0
116.41798	0.3
117.06982	0.3
119.08548	1.1
120.08099	0.5
120.08884	0.4
121.06506	0.3
121.10116	1.0
123.08018	0.7
123.11694	0.4
125.09624	0.4
126.09123	0.5
131.08560	0.4
133.10078	1.1
135.08014	0.3
135.11633	0.4
137.09546	0.5
145.10075	1.0
147.11711	0.4
149.02283	0.4
149.09587	0.6
151.07512	0.9
159.11641	0.9
163.11099	0.3
165.09099	1.6
166.09381	0.9
167.06992	0.3
185.39011	0.3
189.09137	0.4
196.13356	0.5
208.16951	0.6
223.13264	0.3
226.10881	0.7
226.17990	1.2
236.16440	6.8
237.07571	0.8
254.17484	100.0
255.17851	3.0
266.43307	0.3
270.16904	0.4
271.17181	0.4
272.17563	0.7
275.20004	0.5
280.19189	0.3
282.17004	1.0
300.18021	50.3
301.18375	1.6
336.43558	0.3
408.27463	1.0
426.21576	2.3
426.28616	2.2
426.33878	0.5
427.27298	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	426.2846
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03902	0.6
55.01826	1.4
55.05451	6.2
55.05736	0.6
57.03387	1.2
65.03896	0.6
67.05434	8.1
68.05017	4.1
69.03381	1.2
69.07061	5.0
69.99959	2.9
70.06584	51.8
70.06942	2.7
70.07117	2.0
71.08550	1.6
72.08154	3.2
73.02885	0.6
79.05481	5.6
81.03341	1.7
81.07048	11.0
82.06524	1.0
83.04916	2.0
83.07292	0.6
83.08602	3.2
84.04440	1.0
84.08056	1.8
85.02836	1.1
85.06482	1.2
86.09655	0.9
88.01736	0.5
91.05466	5.6
93.07033	5.3
95.04971	4.3
95.08607	5.4
96.08048	1.6
97.02814	0.8
97.06458	1.4
97.10091	1.7
98.05963	0.6
99.08023	1.8
100.07634	3.4
105.07024	5.1
107.04877	1.1
107.08602	4.4
108.08080	1.3
109.06483	1.4
109.08862	0.6
109.10136	3.3
110.09665	2.6
111.08041	0.9
114.05515	5.3
116.07079	19.7
117.06944	0.9
119.08565	4.4
120.08035	1.3
121.10139	3.7
122.09613	0.7
123.08006	0.9
123.11636	1.3
125.09585	1.2
128.07069	2.7
129.06981	0.9
131.08463	1.8
133.10115	3.5
135.07948	0.6
135.11624	1.8
137.05898	0.7
137.09521	0.8
138.12717	0.7
140.06923	0.6
141.12683	1.1
142.08568	2.0
143.08531	1.2
145.10048	2.4
147.08000	1.1
147.11653	2.7
148.05983	0.6
149.02280	1.1
149.09544	1.5
149.13162	0.5
151.11154	1.2
154.08611	2.7
155.08447	0.6
157.10126	0.6
159.11615	1.6
161.09497	1.0
161.13177	1.8
163.11110	1.8
165.09071	1.5
167.07014	0.7
168.06546	1.2
171.11601	0.7
174.03868	0.9
175.14752	1.2
177.12773	0.8
183.11676	0.7
184.13316	2.5
185.13211	1.9
187.11084	0.9
187.13217	0.8
193.04961	1.0
193.12138	0.9
195.07919	0.6
196.13240	2.8
203.14296	2.7
205.12196	0.7
210.14842	0.7
220.16978	2.5
223.13194	1.4
236.16382	1.6
238.18004	37.4
239.18275	1.6
241.88980	0.6
252.15886	1.6
252.19493	1.4
254.17477	11.0
266.17480	27.4
267.17902	1.2
275.20041	2.0
277.21603	0.6
280.19012	2.2
282.16992	7.4
284.18533	100.0
285.18823	3.6
293.21042	7.2
295.22556	1.1
296.18561	1.1
298.20059	1.0
300.18091	1.8
310.20093	0.6
311.22308	0.6
362.26755	1.0
380.27933	8.3
398.28775	3.2
408.27484	4.0
420.17407	0.6
425.02863	0.5
426.28546	29.3
427.07236	0.7
427.23788	0.8
427.28775	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	426.2846
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53753	0.4
53.03930	0.5
55.01854	1.3
55.05507	3.1
57.03423	1.0
59.04971	0.8
65.03949	0.5
67.05494	4.7
67.50404	0.5
68.05013	0.8
69.03421	1.0
69.07057	3.1
69.98875	2.0
70.06583	100.0
71.04987	1.3
71.06914	1.3
72.08162	0.5
77.13132	0.5
79.05474	3.7
79.05778	0.3
80.05801	0.6
81.03422	1.2
81.07048	6.7
81.07482	0.7
83.04964	0.7
83.08596	2.3
84.08131	1.2
85.02895	1.5
85.06532	0.7
89.06020	1.0
91.05482	4.2
93.07048	4.1
95.04971	1.6
95.08595	4.4
97.02845	0.5
97.06522	1.0
97.10155	1.1
99.25785	0.4
103.05441	3.2
105.07019	3.8
107.04984	0.8
107.08570	3.5
108.08081	0.5
109.02877	0.6
109.06513	1.1
109.10147	2.6
111.08064	0.6
114.05534	0.8
116.07077	93.3
117.06931	0.5
117.07540	0.5
119.08544	3.1
120.08082	0.6
121.06485	1.0
121.10119	2.7
123.08037	1.0
123.11716	0.9
125.09623	1.4
127.03888	0.6
128.07092	0.9
129.07036	0.5
131.04904	5.1
131.08560	1.5
133.10144	2.3
135.08014	1.0
135.11658	1.6
137.05946	1.6
137.09586	1.3
142.08632	0.6
143.08522	0.5
145.10103	3.4
147.04356	0.9
147.11688	1.9
149.09624	1.1
149.13228	0.7
151.07491	2.4
151.11186	0.5
159.11696	1.4
161.05905	0.5
161.13306	0.8
163.07512	2.8
163.11150	0.7
165.09090	1.5
165.20905	0.4
166.09485	0.8
169.10046	0.8
171.11586	0.6
175.11224	0.7
177.09056	0.5
177.12952	0.5
189.11121	0.6
191.10680	0.9
191.14146	0.6
207.13754	0.5
221.19113	0.4
224.16472	6.8
247.06119	0.5
247.16888	1.8
252.15942	2.2
270.16968	15.9
271.17203	0.5
275.20154	2.8
286.61716	0.5
293.21161	1.0
304.07312	0.5
311.95956	0.5
384.28311	0.5
390.26590	0.6
408.27335	3.8
426.28464	5.7
427.06305	1.3
427.18198	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	426.2669
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33671	2.2
56.05031	48.1
56.05838	3.1
57.03423	2.4
57.07070	3.9
57.46879	2.7
67.05486	11.3
67.29710	3.6
69.07053	4.4
71.75909	4.0
74.02434	83.2
74.06067	4.7
75.02701	30.9
79.05482	4.3
81.07042	8.0
91.05457	5.6
93.07047	5.3
95.08594	8.0
102.05519	14.1
105.07017	5.8
107.08581	4.1
109.10096	3.6
119.08603	2.9
119.21896	2.4
121.10151	3.1
145.10104	3.4
147.11682	7.8
148.04230	3.2
149.02678	21.2
159.78806	2.5
166.05321	100.0
168.98399	2.5
173.51157	2.6
175.11166	31.5
199.87836	2.5
269.15363	11.1
316.26343	6.8
325.21637	9.9
362.26880	68.6
381.27869	11.7
426.33746	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	426.2848
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.5
53.41032	0.4
55.01862	0.9
55.05504	3.1
57.03439	0.8
57.07067	0.4
67.05502	4.9
68.05019	0.5
69.03410	0.5
69.07062	3.0
69.68857	2.5
70.06584	100.0
71.04978	0.8
71.06921	1.3
72.08157	0.7
79.05490	3.8
81.03431	0.5
81.07049	7.2
83.04972	0.7
83.08605	2.2
84.04481	0.4
84.08121	0.5
85.02910	0.8
85.06559	0.6
91.05476	4.2
93.07043	3.7
95.04951	1.9
95.08591	3.9
97.02865	0.4
97.06512	1.0
97.10165	1.7
104.52499	0.3
105.07027	3.5
107.04951	1.0
107.08593	3.7
109.06516	0.8
109.10119	2.0
111.04442	0.4
111.08100	0.6
114.10285	0.4
116.07081	67.0
117.06950	0.5
117.07511	0.5
119.08572	3.3
121.06515	0.9
121.10134	2.2
123.08057	0.7
123.11685	1.2
125.09618	1.7
129.07022	0.4
131.08559	1.4
133.10138	2.5
135.08029	0.7
135.11646	0.8
137.05930	0.5
137.09648	0.7
137.13248	0.4
139.11119	0.4
142.08615	0.9
143.08556	0.6
145.10118	1.4
147.11700	2.5
149.09622	1.0
149.13274	0.4
151.07530	0.4
157.10175	0.4
159.11691	0.9
161.09636	0.4
161.13274	0.8
163.11148	0.5
165.09131	0.5
165.12758	0.6
166.09349	0.3
167.07024	0.5
173.13199	0.7
175.07500	0.6
177.09010	0.3
184.11858	0.5
184.13342	3.5
189.11205	1.5
203.17947	0.7
221.18982	0.6
223.65749	0.3
229.19566	0.3
238.17999	0.3
249.18359	0.9
257.18921	0.5
275.20020	5.0
293.21042	0.9
295.05945	0.4
299.05249	0.4
329.06409	0.4
334.13602	0.9
368.15298	0.5
379.14728	0.3
385.11505	0.4
390.26123	1.1
408.27478	8.4
426.28455	8.0
427.06671	1.6
427.12637	0.3
427.18616	0.6
427.28680	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	426.248
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	3.4
55.01863	4.8
55.05508	16.0
57.03422	4.0
57.07060	3.2
61.02959	1.4
61.71162	1.5
62.22889	1.4
65.03926	3.5
67.05500	44.0
69.03407	2.4
69.07062	16.2
70.02945	75.2
70.03629	8.2
70.06574	5.7
71.04984	3.9
74.02432	33.2
79.05481	32.2
81.03404	4.3
81.07047	100.0
83.04976	5.1
83.08610	15.3
84.08123	3.2
85.06528	4.8
88.03987	37.6
91.05469	35.6
93.07027	30.6
95.04942	11.3
95.08593	32.1
97.06528	7.8
97.10179	3.6
99.08051	3.4
100.11211	1.7
105.07013	33.1
107.04950	8.8
107.08574	19.0
109.06503	24.9
109.10141	14.0
111.08071	4.8
111.15057	1.6
116.03438	11.4
117.06987	7.4
119.08570	30.8
121.06506	6.8
121.10129	18.8
123.08046	9.7
123.11691	11.5
125.09607	2.9
129.06993	4.1
131.08553	13.4
133.10114	21.6
134.04468	38.7
135.07999	7.5
135.11662	7.2
137.09579	4.9
140.75139	1.6
143.08546	3.4
145.06430	1.7
145.10109	16.2
147.08040	2.1
147.11687	24.9
149.09628	8.2
149.13234	9.6
155.08528	1.8
157.10117	5.5
159.11705	12.0
161.09604	2.1
161.13240	5.0
163.11140	8.3
163.14749	3.8
165.09094	4.4
165.12717	10.7
169.10094	2.5
171.11624	3.9
173.13202	5.2
175.11115	4.3
183.11702	2.2
183.58578	1.5
187.11156	2.5
189.12701	2.0
191.10710	1.7
191.14227	1.9
193.12268	3.5
195.13899	1.9
197.13243	4.1
211.83186	1.4
215.17744	1.8
229.19487	3.4
239.17906	4.4
247.20529	5.5
257.19049	6.6
275.20026	85.8
276.20544	2.5
280.15378	3.2
293.21066	26.7
318.24316	1.5
344.22144	6.6
362.23138	3.1
390.22736	4.1
408.23761	2.8
426.24863	35.5
427.25986	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3775
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
55.05500	22.7
57.07065	13.7
67.02670	5.5
67.05491	48.5
69.07067	45.6
70.13850	5.9
71.74696	10.5
79.05479	26.8
81.07056	71.5
83.08600	17.5
91.05473	25.1
93.07037	61.7
95.08608	100.0
97.10169	9.0
105.07019	46.2
107.08591	58.2
109.06565	7.0
109.10147	98.9
117.06992	7.9
119.08571	40.7
121.10129	59.0
123.11700	28.0
131.08560	11.3
133.10146	38.9
135.11681	43.2
137.13248	10.2
143.08504	9.9
145.10115	18.8
147.11697	38.0
149.13271	23.5
159.11658	18.7
161.13284	28.0
163.14787	13.5
171.11742	6.6
173.13246	14.9
175.14905	6.5
177.16402	6.0
187.14758	15.4
189.16412	17.1
191.17947	23.9
195.25493	5.7
199.14847	7.7
201.16434	14.4
203.17996	19.8
205.19511	9.6
213.16501	8.7
215.17923	12.5
217.19490	14.7
227.17857	6.0
228.48282	5.7
229.19518	7.4
242.76489	5.6
292.49966	6.1
343.84070	6.3
407.36667	25.4
425.37747	59.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3774
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
55.05505	17.4
57.07067	9.7
67.05497	27.6
69.07056	41.6
70.13277	14.3
71.07039	2.5
71.08636	5.1
79.05482	15.8
81.07046	47.1
83.08612	27.8
89.85240	2.6
91.05463	18.7
93.07031	35.6
95.08600	67.4
97.10152	9.4
105.07034	30.4
107.08580	48.3
109.10145	62.3
111.11707	3.6
117.07023	4.8
119.08562	35.5
121.10137	51.6
123.11703	29.7
125.13319	2.8
128.06285	3.0
129.06999	3.8
129.34482	2.5
131.08496	13.2
133.10120	36.8
135.11696	28.4
137.13246	11.6
143.08551	5.1
145.10086	15.3
147.11665	31.7
149.13237	26.8
151.14836	5.0
157.10126	4.1
159.11690	17.4
161.13258	29.7
163.14812	19.9
165.09125	4.9
165.12769	3.8
171.11707	8.7
173.13283	10.9
175.14816	22.1
177.16402	11.6
179.14383	2.7
185.13251	4.3
187.14848	16.5
189.16415	11.5
191.17953	8.6
199.14874	4.0
201.16394	12.8
203.17920	20.3
205.15918	2.8
205.19545	10.4
213.16441	7.9
215.17972	7.4
217.15997	3.5
217.19511	15.1
219.17421	2.8
219.21121	9.1
227.17981	6.1
229.19519	6.8
231.21095	7.8
241.19643	7.9
243.21100	4.1
245.19075	5.1
245.22769	6.0
255.21074	5.3
259.24350	4.5
269.22678	8.7
271.24237	4.4
283.24252	6.0
297.25970	3.3
299.27213	3.5
313.25259	3.6
407.36703	38.4
425.29153	3.9
425.37860	100.0
426.38040	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	425.3257
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	9.4
57.03426	4.1
57.07048	5.7
58.53329	1.2
67.05497	9.7
69.07059	13.5
71.04943	1.6
71.08611	3.4
71.50997	3.4
75.04485	1.8
76.50073	1.3
77.03194	1.4
79.05473	4.7
81.06686	1.5
81.07054	18.0
83.04935	1.8
83.08614	8.0
85.06549	2.9
91.05492	3.6
93.07030	11.2
95.04995	1.6
95.08601	19.1
97.06515	4.2
97.10136	2.4
99.85825	1.4
105.07017	3.5
107.08585	21.6
109.06506	5.4
109.10129	9.3
109.79130	1.3
111.08070	3.9
119.08604	6.3
121.10143	10.7
123.08070	21.7
123.11692	3.1
125.09621	1.5
133.10110	4.2
135.11665	4.1
137.02626	1.2
137.09567	2.5
147.11714	2.0
149.13260	4.0
158.52957	1.3
161.13260	2.4
163.14799	1.6
165.09007	1.4
167.14299	6.3
177.16415	2.1
179.14304	19.0
181.15848	1.6
193.15955	2.0
207.17450	1.4
225.75362	1.4
249.14073	1.2
276.46027	1.6
277.21674	7.1
333.27850	90.9
334.28113	7.1
339.37750	1.3
351.28824	19.5
368.05063	1.6
407.31595	4.4
425.32587	100.0
426.15765	1.5
426.32901	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	425.3775
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
53.03923	6.0
54.75127	5.5
55.05491	18.1
57.07073	9.5
67.05495	36.7
69.07067	55.7
69.80807	28.3
72.41779	4.7
79.05485	25.4
81.07049	100.0
83.08601	19.0
85.06552	5.6
91.05460	14.3
93.07027	36.4
95.08595	99.5
97.10139	15.2
98.20784	11.0
105.07000	30.2
107.08591	64.5
109.10144	62.7
111.11706	18.5
119.08559	27.2
121.10131	58.4
123.08054	6.2
123.11694	40.8
130.32524	5.4
131.08565	6.7
133.10117	24.1
135.11696	38.8
137.13229	17.1
145.10088	15.1
147.11673	26.0
149.13239	36.1
151.11101	7.5
159.11638	11.8
161.13246	21.5
163.14798	17.1
165.03247	5.3
175.14793	17.0
177.16380	18.2
187.14830	7.4
189.16313	12.9
192.37422	5.0
201.16289	8.2
203.17871	8.4
215.13655	5.8
215.18042	8.9
217.19429	13.1
233.18985	7.8
243.20984	7.8
271.24347	5.9
325.28848	7.2
407.36493	19.5
425.37784	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	425.2895
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22279	1.0
53.03944	4.7
55.01868	7.9
55.05269	1.3
55.05508	17.6
57.03427	6.1
57.07061	4.9
58.75124	0.9
61.02922	1.2
65.03925	2.4
67.05499	87.4
68.05834	2.0
69.03421	10.3
69.07063	24.2
69.77242	6.9
71.04985	9.4
71.08605	3.5
71.55000	0.9
73.02904	5.7
79.05482	23.8
81.03418	10.0
81.07049	86.3
82.07390	2.6
83.04970	3.4
83.08614	15.7
85.02895	5.2
85.06512	2.8
85.10158	1.2
89.94691	0.9
91.05470	17.0
93.07033	23.5
95.04940	3.3
95.08600	62.6
95.43222	1.0
96.08922	2.7
97.02882	100.0
97.06505	4.4
97.10172	8.5
99.04444	46.6
99.08073	3.0
105.07009	12.5
107.04933	1.0
107.08578	14.9
109.02865	12.6
109.06501	1.2
109.10148	26.0
111.04431	1.1
111.08102	2.1
111.11706	2.7
113.09570	1.8
115.03921	1.6
117.05481	1.7
117.06984	1.2
119.08562	8.9
121.10139	12.8
122.10420	1.0
123.08049	1.3
123.11703	16.6
127.03899	27.6
127.11113	1.5
131.08563	2.9
133.10094	9.4
135.11690	8.9
137.09641	1.3
137.13260	5.7
145.04962	14.5
145.10107	1.8
147.11676	6.9
149.13228	6.4
151.07483	1.3
151.14781	2.7
153.12666	1.8
161.13264	7.7
163.14787	5.8
175.11153	1.0
175.14824	8.4
182.45673	0.9
189.16289	2.4
193.15862	1.5
209.07861	1.2
245.22620	12.3
261.22058	1.9
263.23651	29.1
264.23956	1.3
407.27200	1.0
425.22540	1.3
425.28098	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2895
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22279	1.0
53.03944	4.7
55.01868	7.9
55.05269	1.3
55.05508	17.6
57.03427	6.1
57.07061	4.9
58.75124	0.9
61.02922	1.2
65.03925	2.4
67.05499	87.4
68.05834	2.0
69.03421	10.3
69.07063	24.2
69.77242	6.9
71.04985	9.4
71.08605	3.5
71.55000	0.9
73.02904	5.7
79.05482	23.8
81.03418	10.0
81.07049	86.3
82.07390	2.6
83.04970	3.4
83.08614	15.7
85.02895	5.2
85.06512	2.8
85.10158	1.2
89.94691	0.9
91.05470	17.0
93.07033	23.5
95.04940	3.3
95.08600	62.6
95.43222	1.0
96.08922	2.7
97.02882	100.0
97.06505	4.4
97.10172	8.5
99.04444	46.6
99.08073	3.0
105.07009	12.5
107.04933	1.0
107.08578	14.9
109.02865	12.6
109.06501	1.2
109.10148	26.0
111.04431	1.1
111.08102	2.1
111.11706	2.7
113.09570	1.8
115.03921	1.6
117.05481	1.7
117.06984	1.2
119.08562	8.9
121.10139	12.8
122.10420	1.0
123.08049	1.3
123.11703	16.6
127.03899	27.6
127.11113	1.5
131.08563	2.9
133.10094	9.4
135.11690	8.9
137.09641	1.3
137.13260	5.7
145.04962	14.5
145.10107	1.8
147.11676	6.9
149.13228	6.4
151.07483	1.3
151.14781	2.7
153.12666	1.8
161.13264	7.7
163.14787	5.8
175.11153	1.0
175.14824	8.4
182.45673	0.9
189.16289	2.4
193.15862	1.5
209.07861	1.2
245.22620	12.3
261.22058	1.9
263.23651	29.1
264.23956	1.3
407.27200	1.0
425.22540	1.3
425.28098	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2894
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03916	7.0
55.01864	6.5
55.05509	29.5
57.07076	7.5
65.03887	6.8
67.05496	92.8
69.03416	42.6
69.07069	28.3
71.04978	8.4
71.75860	8.5
77.47768	5.7
78.41493	6.7
79.05486	43.2
81.03407	45.7
81.06605	8.5
81.07042	100.0
83.04945	8.2
83.08591	19.5
85.02863	14.2
91.05467	32.1
93.07031	66.0
95.04952	12.6
95.08582	79.0
97.02884	17.3
97.06516	12.2
99.04440	13.8
105.06985	29.7
107.08596	35.1
107.74387	6.3
109.10143	30.8
111.04403	7.7
117.07029	10.4
119.08572	25.0
121.06467	7.3
121.10101	23.0
123.11709	9.9
127.03887	11.1
127.57067	5.7
131.08566	22.2
133.10115	16.5
133.41173	6.6
135.11642	14.7
137.13211	10.1
143.08473	6.4
145.10106	18.0
147.08022	5.8
147.11652	14.9
149.13225	10.2
151.07523	8.6
157.10097	6.0
159.07932	6.1
159.11621	10.2
161.13255	11.5
175.14810	12.4
198.79141	7.4
203.14273	7.1
261.21912	6.3
263.23648	10.0
305.24686	6.8
370.30298	5.9
371.25751	26.5
376.81296	6.9
387.72589	5.9
389.26840	15.0
407.27823	25.6
425.29047	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2897
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28379	5.4
53.03924	8.3
55.05499	39.9
57.03424	8.3
57.07064	8.4
60.68607	5.8
67.05497	91.1
67.73309	5.9
69.03423	32.6
69.07057	32.1
71.04970	7.8
71.15299	14.3
73.02869	5.9
79.05493	41.2
81.03419	51.4
81.07051	100.0
83.04966	18.2
83.08604	18.2
85.02885	10.9
85.06537	9.8
91.05463	39.4
93.07032	57.5
95.04957	11.5
95.08607	61.4
97.02886	14.0
97.10138	8.8
99.04445	9.7
99.14729	5.4
105.07034	35.4
107.04965	6.4
107.08591	27.0
108.85122	6.2
109.02847	8.7
109.06503	8.5
109.10136	27.2
116.70319	5.9
117.06963	12.6
119.08564	26.4
121.06491	13.4
121.10130	18.3
123.04476	7.7
123.11677	14.8
125.09651	7.3
129.06999	9.5
131.08554	22.0
133.10126	23.5
135.11670	15.5
139.74359	6.4
143.08568	13.1
145.10101	14.4
147.11670	7.6
149.13252	15.4
155.23785	5.4
157.10089	7.5
159.11641	9.5
161.13298	10.7
163.14862	10.1
171.11676	8.2
173.13261	6.7
175.14807	8.1
261.22293	10.5
263.23642	8.3
273.60110	5.7
277.01257	7.2
291.23212	13.3
303.23141	7.4
317.24850	7.2
318.24799	6.8
333.23996	7.3
343.26245	7.5
371.25742	27.8
389.26697	18.2
407.28122	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	425.2894
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	9.4
55.01864	9.0
55.05507	31.1
57.03426	10.7
57.07061	15.0
65.78842	5.3
67.05497	89.5
69.03423	34.1
69.07061	39.7
69.81058	7.9
69.81461	24.2
71.04988	5.4
71.08601	6.2
73.62206	5.2
74.09695	8.0
77.99905	5.1
79.05488	51.4
81.03411	44.9
81.07053	100.0
83.04965	7.3
83.08615	19.2
85.02894	16.0
90.42148	5.3
91.05482	37.2
93.07030	51.0
93.92105	5.6
95.04954	20.2
95.08592	74.3
97.02885	20.1
97.06529	11.0
97.10166	16.9
99.04425	9.5
105.07037	38.0
107.04897	7.1
107.08573	32.3
109.02891	5.6
109.10153	30.8
111.04441	8.4
117.07014	17.5
119.08571	32.9
121.06503	8.6
121.10180	25.6
123.04404	11.3
123.08081	6.2
123.11685	11.1
131.08597	27.0
133.10109	16.5
135.11665	18.9
137.13228	7.8
139.11234	6.2
143.08537	6.4
145.06416	7.1
145.10126	22.5
147.11687	15.7
149.13264	16.8
157.10092	5.6
159.11693	12.8
161.13269	15.8
163.14806	10.0
165.09128	6.9
173.13248	16.2
175.14943	8.9
177.16376	6.3
185.13193	6.5
187.14827	11.8
191.18069	5.8
199.14822	6.4
207.13849	6.4
261.22162	12.7
263.23718	10.6
291.23294	9.9
293.24695	9.6
303.23331	5.4
305.24725	9.2
353.24823	10.0
371.25870	24.5
389.26740	36.4
407.27927	20.8
425.28696	17.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2893
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45370	2.8
53.03933	5.2
55.01866	5.5
55.05511	19.4
57.03423	5.8
57.07061	7.5
65.03922	3.9
65.50776	3.0
67.05500	83.7
69.03419	9.3
69.07054	26.3
71.04966	8.8
71.76118	5.0
73.02904	5.7
77.28446	3.1
79.05477	25.8
81.03414	7.5
81.07045	93.0
83.08612	15.8
84.07710	3.2
85.02891	3.9
85.10192	3.5
89.06018	12.6
89.98645	2.9
90.06346	3.4
91.05460	14.4
93.07036	25.2
95.08599	59.7
97.02887	100.0
97.06528	7.4
97.10126	6.6
99.04445	48.9
105.07011	11.3
107.08553	12.4
109.02859	14.2
109.10161	29.6
119.08552	6.9
121.10133	13.4
122.87419	3.1
123.11692	15.9
127.03902	27.8
131.08475	4.2
133.08572	9.1
133.10127	13.9
135.11668	6.5
137.13245	5.1
145.04958	15.1
147.11671	7.2
149.13271	5.2
151.14793	3.7
161.13216	5.4
163.14764	4.6
175.14902	4.1
177.16425	4.4
239.14830	7.4
240.15359	5.9
245.22623	8.1
263.23682	28.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2893
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	11.7
55.01865	20.4
55.05499	25.4
57.03429	8.4
57.07060	7.3
67.05498	100.0
69.03423	40.8
69.07060	30.3
71.01347	3.6
71.04990	14.4
71.08635	2.5
71.67416	2.0
71.67750	2.4
73.02904	8.2
79.05488	32.8
81.03406	40.0
81.07049	97.0
83.04967	5.9
83.08614	21.9
85.02901	13.8
91.05464	24.0
93.07029	30.6
95.04956	5.1
95.08595	77.0
97.02885	70.5
97.06509	3.9
97.10182	10.9
99.04444	72.3
99.08064	3.2
101.02380	3.3
105.07024	13.9
107.08568	17.6
109.02859	33.4
109.10156	31.4
111.04473	2.6
111.11695	4.9
119.08569	13.6
121.10121	15.8
123.11692	12.1
127.03899	90.7
129.05505	2.8
131.08551	6.1
133.10133	13.7
135.11647	11.0
137.13269	3.4
145.04941	13.4
145.10091	3.5
147.11670	8.8
149.13237	9.7
151.14792	3.0
161.13206	12.7
163.14824	6.8
173.13300	2.9
175.14827	7.2
177.16388	3.7
184.80733	2.3
189.16359	3.4
191.32104	2.1
215.14400	2.3
245.22620	11.9
261.22180	5.8
263.23679	31.0
293.44705	2.4
305.24518	2.1
331.26373	2.7
341.24548	2.2
359.25781	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2892
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	6.4
55.01863	6.6
55.05506	26.6
57.03424	8.3
57.07063	5.8
65.03925	3.5
67.05497	100.0
69.03420	11.1
69.07059	25.1
69.74435	18.6
71.04986	9.9
71.08630	4.1
72.69816	2.3
73.02885	5.0
79.05488	27.1
81.03411	15.4
81.07043	92.6
83.04981	3.0
83.08606	16.6
85.02906	7.8
85.06562	3.0
85.10166	2.6
91.05467	26.9
93.07031	29.2
95.04973	4.5
95.08598	64.5
97.02883	91.6
97.10167	9.1
99.04440	44.1
99.08042	3.4
105.07031	15.4
107.08593	16.8
109.02848	13.4
109.10139	28.3
111.04492	2.3
111.11711	3.1
113.23162	2.7
119.08574	8.0
121.10144	10.2
123.11694	11.2
127.03899	28.8
131.08571	4.6
133.10103	13.5
135.11687	5.8
137.13234	8.8
145.04921	11.2
145.10097	3.5
147.10358	2.0
147.11639	5.2
149.13281	6.8
151.14734	3.4
161.13231	9.1
163.14792	5.7
167.14122	2.8
175.14833	7.5
238.56029	2.6
245.22667	12.3
263.23660	27.9
279.23190	2.4
310.95804	2.8
371.25656	5.6
373.24600	2.6
389.26828	4.8
407.27719	4.1
419.51242	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	425.2531
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.8
55.01865	3.6
55.05318	1.0
55.05509	11.9
57.03416	2.2
57.07074	1.6
61.02907	4.4
65.96649	1.2
67.05502	19.8
69.03421	2.7
69.07052	8.0
69.94534	7.1
71.04974	2.0
79.05487	12.6
81.03426	3.9
81.07045	19.9
82.89810	1.1
83.04967	2.6
83.08614	7.6
84.08142	1.2
85.02893	2.0
91.05467	14.4
93.07030	14.9
95.01337	2.8
95.04961	5.7
95.08610	13.1
97.02889	1.9
105.07008	10.5
105.82192	1.1
107.04942	5.0
107.08582	6.1
109.02883	2.9
109.06503	3.8
109.10159	5.5
111.04424	2.4
111.08066	1.4
113.09622	1.3
113.94595	1.2
117.07021	5.1
119.05021	1.7
119.08549	8.7
121.06502	4.1
121.10133	4.3
123.04425	8.7
123.08112	2.1
127.03925	2.2
128.06180	1.5
129.06996	3.2
131.04881	1.6
131.08556	7.7
133.06479	2.6
133.10150	5.8
135.04396	1.9
135.08041	4.1
137.05965	30.9
137.09608	2.2
141.05443	2.9
143.08560	3.1
145.06497	3.4
145.10126	3.5
147.08041	3.0
149.05992	6.5
149.09576	2.9
149.13297	1.2
151.07545	4.6
151.11203	1.7
153.09052	1.2
155.08508	2.2
157.10088	2.9
159.08066	1.9
159.11684	3.0
161.05904	2.2
161.09732	2.1
163.07558	4.9
165.05489	1.5
165.09123	2.8
165.12691	1.2
169.10062	1.3
171.11739	2.1
173.05962	5.0
173.09604	1.7
174.06723	1.8
175.07587	2.3
175.11156	1.9
177.05510	1.9
177.09152	2.6
179.10687	5.2
181.09969	1.4
183.10147	3.1
183.11624	2.6
185.13165	1.7
187.07516	10.2
189.09106	1.5
191.07024	2.8
191.10677	3.6
193.12265	1.7
195.11700	1.7
201.09116	2.4
205.12248	3.0
209.13246	1.5
211.11130	1.5
213.12683	1.4
215.10770	2.0
217.12294	2.6
231.13777	1.3
233.11789	3.6
243.13814	2.6
247.13425	1.4
251.12787	3.1
261.14893	2.8
299.20129	2.4
301.14169	1.4
302.15112	1.9
317.21069	10.0
325.21487	1.4
329.20996	2.7
333.17172	1.6
343.22620	3.5
349.16708	1.5
353.21054	8.1
359.22083	5.1
365.97711	1.4
371.22144	100.0
372.22473	2.8
389.23141	29.1
407.24179	2.5
425.26794	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2528
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	5.0
55.05512	14.1
56.04993	1.7
57.07056	3.0
61.02903	4.5
63.72347	1.7
67.05494	30.2
69.03407	3.2
69.07063	12.9
70.06594	2.3
70.28381	1.5
71.04983	2.6
71.73019	2.8
71.73443	2.5
79.05487	18.9
81.03423	4.4
81.07044	29.2
83.04974	3.4
83.08609	7.4
84.04482	1.8
84.08129	5.1
85.02874	4.3
91.05481	20.7
92.24675	2.0
93.07030	21.3
95.01289	2.7
95.04959	7.4
95.08594	17.9
97.02885	2.4
97.06516	2.6
97.10154	3.8
105.07032	16.8
107.04932	7.2
107.08587	10.6
109.02864	2.5
109.06520	5.1
109.10128	9.4
111.04424	6.6
111.08110	3.1
117.07023	8.4
119.04944	3.1
119.08552	13.1
121.06485	8.2
121.10139	7.0
123.04399	11.1
123.08064	2.3
123.11700	2.2
125.09604	2.1
127.03968	2.0
129.07013	5.3
131.08557	12.6
133.06462	4.0
133.10141	6.5
134.97195	1.8
135.04396	8.0
135.08092	4.2
135.11702	3.5
137.05957	31.1
137.09616	2.4
141.05466	2.2
143.08548	4.5
145.06433	2.4
145.10117	7.2
147.04443	3.5
147.08005	5.3
147.11725	3.0
149.05997	7.2
149.09605	3.6
151.07536	3.6
155.08536	3.2
157.10109	3.0
159.08127	2.1
159.11665	5.1
161.05997	5.4
161.09592	5.4
163.07532	6.2
165.09134	5.4
167.08492	2.1
171.07950	2.0
171.11737	3.1
173.05908	3.5
173.09499	2.5
173.13246	2.5
175.07510	3.1
177.09140	2.1
179.10677	5.5
182.80521	1.7
183.11682	3.0
187.07549	5.0
187.11090	3.5
191.10675	3.7
197.13179	2.6
201.12741	2.2
205.12238	4.3
210.64651	2.0
215.14395	2.7
289.14407	2.0
299.20007	3.7
303.16040	3.0
315.15826	2.7
317.21106	20.3
329.21063	6.1
333.13120	2.2
339.00269	1.7
343.22656	4.6
353.20944	4.8
359.21954	2.0
371.22137	100.0
372.22321	4.3
389.23138	33.0
396.78607	2.0
407.24298	5.3
425.17950	2.7
425.24976	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2295
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05113	11.8
52.27552	12.9
53.84782	12.9
54.01054	12.3
55.05496	20.6
56.96554	22.9
67.05505	100.0
69.07043	29.3
70.06583	17.1
71.14542	39.7
72.08157	12.4
79.05471	41.5
80.05033	12.7
81.07055	65.9
83.08627	15.7
91.05448	27.6
93.07029	41.7
95.04916	20.0
95.08582	61.2
105.07009	26.9
107.08585	31.2
109.10118	60.4
118.65647	13.8
119.08615	17.9
121.10071	26.0
123.08096	16.0
133.10159	22.8
159.11778	16.6
171.11574	14.8
241.11082	22.9
259.12265	30.3
351.18466	38.0
353.19174	27.4
369.19406	49.6
425.23590	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	425.1778
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	1.0
60.47853	0.7
67.05472	1.0
69.07059	2.3
70.06583	1.2
70.32420	3.4
79.05499	0.9
81.03406	1.1
81.07050	6.4
84.08131	0.8
85.61241	0.9
89.02308	0.7
93.07035	1.2
95.08572	1.9
100.11250	1.9
101.00870	2.1
119.01905	6.9
124.45906	0.8
127.03912	0.8
128.31691	0.8
137.02858	1.1
143.01892	3.6
154.87944	0.8
157.03484	1.8
161.02911	4.6
175.04552	1.8
185.02911	1.6
187.00809	4.3
201.03838	1.0
203.05325	1.1
227.05235	2.0
229.01839	1.1
243.04716	13.6
245.06322	12.1
247.03070	0.9
271.04211	3.1
287.03705	85.2
288.03967	1.0
289.05270	100.0
290.05603	1.9
381.18747	8.3
425.17813	82.9
426.18066	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.155
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	18.5
57.15366	11.4
61.97305	10.3
69.03427	20.4
69.66927	100.0
70.06570	27.9
79.05476	30.5
81.03411	37.3
84.08129	20.6
85.02903	46.4
86.09728	21.0
91.05491	21.6
97.02879	44.9
98.21410	24.7
100.11249	35.5
106.06541	24.7
109.02872	39.6
114.09154	28.0
116.04962	48.5
119.04964	13.1
121.06533	16.9
127.03909	40.7
130.04968	17.6
132.08141	13.4
135.04414	15.7
137.02313	15.7
140.10686	23.5
142.94446	13.2
154.51353	12.6
177.06638	35.4
177.10257	33.2
188.10733	11.8
210.14960	16.0
258.21872	16.2
261.62393	12.2
311.05460	22.9
341.06430	42.8
351.08667	16.6
379.08176	16.0
394.27380	12.6
407.07510	60.9
425.08560	75.0
425.35208	27.4
434.93317	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	425.1564
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.4
55.01861	3.3
55.05501	3.0
62.90635	3.1
67.05491	4.6
68.05013	7.4
69.03407	5.9
69.07061	4.0
70.06585	40.0
71.20487	6.8
72.08131	14.7
81.03391	8.7
81.07036	7.4
84.04474	8.8
84.08126	36.4
85.02883	8.9
86.09699	14.2
91.05465	24.9
93.07039	6.0
95.04970	9.3
96.08107	5.5
97.02841	4.2
97.06487	3.3
97.28728	3.1
98.21306	3.5
99.04482	3.7
105.07002	5.7
107.04946	4.1
108.08092	3.3
109.02827	4.9
110.07184	7.2
110.09665	11.2
114.05522	18.5
116.07143	3.9
120.08077	12.0
123.08067	4.7
127.12283	5.7
129.10213	9.1
133.10162	4.6
136.07475	7.8
137.02321	9.9
138.09132	19.1
146.06003	4.0
147.04391	5.1
159.08006	3.4
161.02289	3.5
163.03931	3.7
165.01793	3.9
166.08630	20.8
175.04012	3.4
183.95181	3.4
195.02797	4.8
197.04680	7.4
209.15292	6.8
210.15604	9.3
217.05020	4.0
220.85692	3.7
237.02748	3.9
263.13907	21.8
287.00000	3.3
295.05988	5.5
299.00198	3.3
300.10889	4.6
310.04590	3.2
311.05429	11.7
323.05371	13.0
325.06952	5.6
337.07184	10.7
341.06552	34.5
342.06384	3.7
351.08481	11.6
353.06516	5.7
361.07306	4.5
365.06262	5.2
379.08090	10.5
407.07690	33.5
407.12631	4.7
425.08466	73.6
425.16241	100.0
426.08908	6.5
426.16913	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	425.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	16.0
56.84976	11.4
58.88934	12.1
69.03413	23.6
69.66962	100.0
70.06569	23.4
79.05463	17.1
81.03412	52.9
85.02888	34.7
87.00843	24.9
91.05457	24.6
97.02890	60.7
98.20675	18.2
103.61248	14.3
105.01790	14.8
106.06550	22.3
108.45425	13.5
109.02861	48.2
112.03976	42.4
116.04973	50.7
117.05818	14.3
117.89344	13.7
118.06593	12.4
120.08132	23.9
127.03888	68.6
130.05006	24.2
130.06575	13.7
132.04466	13.1
133.06458	13.9
133.07445	12.7
134.05983	25.8
134.09691	15.2
142.06537	22.8
145.02827	13.7
150.05453	20.8
151.36044	12.8
152.07114	14.6
159.09160	22.2
160.03903	15.9
175.08760	14.7
177.06573	46.7
177.10266	63.2
204.33595	11.5
213.03990	23.6
264.88657	13.7
292.10178	14.8
425.15359	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	425.1137
Annotation	Unknow
Peak:m/z	Relative Intensity
54.22207	0.7
63.82629	0.6
70.45970	0.6
70.48814	3.1
81.03396	1.0
82.99873	1.8
86.99309	0.7
91.96414	0.7
97.02873	1.3
101.00871	11.7
109.02879	0.9
110.40961	0.7
113.00837	2.1
115.02458	1.0
119.01912	25.9
120.02068	0.7
127.02414	1.6
129.03880	0.8
131.01904	8.6
133.03485	1.2
137.02948	2.4
137.77570	1.0
139.02361	1.0
142.03462	0.7
143.01888	25.9
144.02132	0.7
145.03462	9.1
147.01387	1.6
149.02968	1.1
155.01883	13.6
155.03043	1.2
157.03439	5.8
161.02948	48.4
162.03011	0.9
163.04526	1.3
167.01878	6.0
169.03467	2.2
171.05005	1.8
173.02956	21.3
173.04431	1.2
175.04584	1.7
179.01892	3.0
179.03987	1.3
184.04579	1.0
185.02946	32.0
186.03088	0.9
187.04517	3.3
191.03947	4.8
197.02966	12.7
199.04507	0.7
202.05652	0.7
203.03981	14.4
205.86794	0.7
208.04593	0.9
209.03038	0.8
215.04005	7.6
221.05003	2.2
225.72336	0.7
227.03986	7.4
239.03999	1.0
243.05850	1.1
245.05060	100.0
246.05234	5.2
257.05011	4.7
260.98318	0.7
263.06104	27.7
264.06442	1.3
275.06125	11.7
276.06277	1.0
286.07898	0.9
293.07111	3.4
305.07193	9.5
306.07449	1.2
310.73306	0.8
317.07468	0.8
321.10428	4.7
335.08209	2.4
365.09460	6.1
425.11169	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	425.144
Annotation	Uncinoside B
Peak:m/z	Relative Intensity
55.01853	1.3
55.05500	0.6
57.03412	0.8
61.02892	0.7
61.80052	0.4
65.03905	0.5
67.05485	0.8
69.03426	3.4
69.48481	4.5
70.06582	2.6
71.04960	0.5
72.08119	1.8
79.05468	1.0
81.03405	1.5
81.07029	0.7
83.04977	0.6
84.08130	2.8
84.99552	0.4
85.02461	0.5
85.02898	5.6
86.09698	0.7
86.89343	0.5
91.03915	0.5
91.05447	1.9
93.03348	0.4
93.07044	1.0
95.04933	0.9
95.08542	0.7
97.02893	2.6
98.21461	0.9
103.05484	0.5
105.03384	0.7
105.06992	1.0
107.04935	1.8
108.08047	0.4
109.02844	1.8
110.07071	0.5
111.04434	0.5
113.16105	0.4
115.05434	0.8
117.06980	1.5
119.04913	0.5
120.08086	0.8
121.02852	6.0
121.06475	1.1
123.04359	0.7
124.07561	1.0
125.02328	0.6
127.03883	1.1
131.04878	1.2
133.02843	0.7
133.06427	0.7
135.04393	1.9
135.08081	0.5
136.07556	1.8
137.02336	2.6
137.03268	0.5
145.04987	0.5
145.05380	0.5
145.06462	4.8
148.07585	0.7
151.03952	1.2
152.07033	0.6
155.06024	0.7
157.10109	0.4
161.02304	1.2
164.07120	1.1
173.05949	2.3
175.03899	0.5
175.11154	0.4
177.05414	0.5
179.03362	1.3
189.01810	1.4
191.03365	1.2
191.06859	0.7
194.08130	1.2
195.02818	1.4
201.05345	0.6
203.03416	1.1
207.02875	1.4
217.04964	1.5
218.05753	1.0
219.06502	42.5
220.06827	1.6
221.04428	0.8
230.06265	0.5
245.08009	6.3
263.09113	100.0
264.09412	3.4
283.06015	0.6
284.06772	0.8
287.12863	0.5
299.05460	0.8
310.04791	1.2
311.05478	6.1
312.06158	1.2
313.06915	1.4
323.05539	3.4
323.08920	0.9
325.07034	2.0
335.05267	0.6
336.06372	0.7
337.06921	2.5
338.04047	0.5
339.04980	1.3
339.08545	0.5
341.06534	11.2
342.06866	0.5
351.04868	0.6
351.08545	3.2
351.13754	0.7
353.06348	1.9
365.06528	1.5
367.08096	0.8
379.08078	3.3
380.07913	0.5
381.05893	1.0
383.10361	0.5
395.07535	1.1
407.07547	6.6
407.12396	0.5
408.07855	1.2
425.08539	12.3
425.15363	5.2
426.08948	1.5
426.83731	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.0478
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01365	4.3
55.93494	7.7
56.96552	14.2
61.81290	4.6
71.74894	6.0
83.46689	5.8
86.29842	5.0
97.48880	5.2
98.97558	13.9
101.00874	10.8
105.84682	4.9
113.77634	5.0
116.98669	4.5
119.01901	33.0
127.02495	5.5
128.23302	4.7
130.96346	8.3
131.01849	14.6
142.96304	8.7
143.00194	9.2
143.01898	28.6
145.03441	19.3
148.97394	6.4
155.01865	11.6
156.97856	5.8
157.03450	18.1
161.01692	7.1
161.02928	53.4
169.03429	9.0
170.99361	5.6
173.03009	16.7
175.04456	8.3
185.02953	37.8
187.04538	24.8
197.02911	14.2
203.03992	23.0
215.03886	7.9
227.03864	10.8
245.05072	100.0
251.04169	6.0
257.05078	6.1
263.06116	16.3
275.06015	9.8
294.50314	5.1
301.07755	6.4
304.97919	11.0
305.07120	7.2
316.97873	11.1
335.61563	5.6
363.73727	5.5
425.08322	6.2
425.14313	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	425.084
Annotation	rostratin B
Peak:m/z	Relative Intensity
55.01862	6.9
55.05490	5.5
56.05014	2.8
56.96579	2.4
62.41272	1.9
67.05496	3.1
68.04987	1.9
69.03417	2.6
70.06583	31.9
71.73028	4.0
72.08158	10.5
77.98523	2.6
79.05484	4.8
81.03424	4.0
81.07026	5.6
83.04976	2.4
84.04488	5.3
84.08134	29.7
85.02882	8.7
85.06532	1.8
86.09703	13.1
87.04530	2.2
91.05470	10.1
93.07036	3.1
95.04942	4.1
96.08147	2.4
97.02917	3.7
97.06498	2.6
98.09674	2.6
98.97504	2.4
102.05529	2.3
105.07025	2.2
107.04945	4.7
107.08617	2.7
109.02872	4.8
109.06532	2.1
110.07135	4.9
110.09690	3.9
114.05569	2.3
116.07050	4.8
116.98599	2.0
119.04877	3.0
119.08492	2.6
119.66723	1.9
120.08097	7.5
121.02844	2.5
121.06505	3.0
121.07517	1.8
121.08398	2.1
121.10098	3.0
122.06017	2.0
126.05465	2.8
127.12325	6.0
129.10234	5.2
130.05196	1.8
135.04399	5.8
136.07579	6.8
137.02319	26.9
138.09145	6.8
147.04405	4.6
151.03873	2.0
154.36848	1.8
157.10008	2.2
161.02397	3.1
166.08591	9.5
171.04436	2.3
177.01868	2.9
179.03549	2.7
189.01738	4.4
189.05396	2.9
191.03372	2.5
195.02869	6.9
197.04764	5.3
203.03413	7.3
207.02876	4.4
215.05896	2.7
217.04977	6.7
221.04391	2.5
235.06157	2.5
237.02888	3.9
245.04477	4.1
263.08893	3.5
263.13797	6.1
264.37143	2.0
273.03952	2.1
284.06812	3.5
295.06018	2.7
295.11304	2.4
299.04550	6.0
309.07645	2.9
310.04620	5.5
311.05469	27.2
312.06009	3.9
313.07010	3.8
323.05524	18.8
324.06027	4.4
325.07129	8.9
329.06427	2.6
335.05396	4.5
336.06189	5.4
337.07040	17.0
341.06552	45.9
349.07022	6.3
350.07953	5.8
351.08627	19.7
353.06458	9.3
355.08035	5.2
361.06976	10.5
365.06436	15.1
379.08112	30.5
389.06592	5.7
395.07574	2.8
407.07602	66.9
407.12656	3.1
408.07822	4.7
425.08444	100.0
425.16599	58.1
425.24167	4.4
426.08856	5.6
449.81848	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	424.2843
Annotation	Antibiotic BE 14106
Peak:m/z	Relative Intensity
53.03919	1.9
55.01852	2.2
55.05505	11.5
56.05023	2.2
57.03420	1.7
57.07055	3.8
59.04990	2.3
65.03922	1.7
67.05499	24.1
68.05029	10.9
68.05814	3.2
69.03401	2.1
69.07073	8.6
70.06584	38.1
71.04958	2.8
71.73049	1.5
72.08153	1.4
79.05491	19.3
80.04990	7.2
81.03391	1.9
81.07056	23.0
82.06557	5.4
82.07366	3.0
83.08588	5.5
84.08098	2.5
85.06507	3.1
91.05466	25.3
92.05753	1.2
93.06506	2.0
93.07034	23.7
93.41243	1.3
94.06514	2.4
94.07362	1.5
95.04979	8.9
95.08073	1.5
95.08591	13.7
96.08109	5.1
96.08850	1.4
97.06504	2.5
97.10120	2.1
98.06026	1.5
98.98444	3.0
100.07604	17.3
103.05421	2.5
105.06339	2.5
105.07023	37.6
107.08581	15.1
108.08080	8.0
108.08858	2.5
109.06434	1.9
109.10142	13.2
110.09694	1.6
110.10416	2.4
111.08057	1.7
114.05529	9.2
114.09112	4.7
115.05477	1.7
115.67873	1.4
116.06210	1.9
116.07056	3.5
117.07020	12.4
119.07759	1.6
119.08572	30.7
120.08062	5.6
121.06523	2.3
121.10142	11.1
122.09621	4.5
123.08047	1.9
125.09663	2.1
126.09089	2.9
128.06197	3.0
128.07063	20.7
129.06973	7.6
130.07796	2.4
131.08545	24.4
133.10118	17.5
134.09622	4.1
135.08066	7.4
135.11646	4.7
140.07010	3.1
141.06966	2.4
142.07689	5.4
142.08690	9.1
143.08540	15.1
144.09282	3.0
145.06451	1.6
145.10110	24.3
147.07993	1.5
147.11639	6.3
147.84062	1.3
148.11172	6.5
149.09628	1.4
149.13196	4.3
150.13582	1.4
154.07489	2.7
154.08623	38.3
155.08522	4.2
156.09286	3.1
157.10091	13.2
158.10847	2.1
159.11630	7.4
160.11174	2.6
161.09612	3.2
161.13261	1.6
162.12756	3.0
163.11143	1.7
164.07002	3.8
167.08603	1.8
168.10277	9.3
169.10101	7.4
170.10779	1.5
171.11668	7.2
172.11230	2.0
173.11845	2.9
173.13235	14.8
174.12727	5.8
175.14795	3.6
178.08595	4.2
179.08516	3.2
180.10342	1.7
181.10054	2.7
182.10863	1.4
183.11626	5.4
185.13200	2.9
186.12772	2.9
187.14781	2.7
192.10266	2.5
194.11787	22.6
195.11664	3.4
196.12283	1.5
197.13168	3.7
198.12775	1.5
199.14767	9.5
201.16414	2.0
207.11743	1.9
209.13179	5.7
209.15031	1.2
217.15862	3.6
218.11707	6.5
220.13181	6.0
221.13322	1.9
223.14783	3.3
226.15633	1.7
232.13251	2.4
235.14828	2.2
243.52727	1.5
265.19366	1.7
270.17737	1.5
276.15997	2.1
284.16531	2.9
286.18143	3.4
302.17331	2.4
309.22040	1.7
314.21149	11.2
332.22183	100.0
333.22412	5.1
371.21994	1.6
406.22079	2.2
406.27359	11.4
424.22382	9.6
424.28244	82.9
425.28571	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	424.2841
Annotation	Antibiotic BE 14106
Peak:m/z	Relative Intensity
53.03926	0.9
55.05511	8.7
57.07069	4.4
59.04980	2.4
67.05494	11.5
68.05024	8.5
69.03403	1.4
69.07066	7.8
70.06217	1.4
70.06584	23.2
71.04958	1.3
71.74950	1.1
76.64171	0.9
77.03899	0.9
77.59607	0.9
78.05394	0.8
79.05482	12.1
80.05002	4.9
81.03426	1.2
81.07047	17.0
82.06577	4.9
82.07348	1.4
83.08605	6.5
84.08118	2.4
84.08909	1.2
85.02870	1.4
85.06511	2.6
86.06037	0.9
89.06005	2.6
91.05469	24.1
93.07039	15.7
94.06554	1.1
94.07271	1.0
95.04956	6.0
95.08592	11.3
96.08099	3.7
96.08950	0.9
97.06499	1.2
97.10155	2.3
98.69942	1.0
100.07615	14.4
102.38876	1.0
103.05428	1.8
105.06339	2.0
105.07020	33.8
107.04929	1.0
107.08575	15.2
108.08110	8.8
108.08833	1.3
109.06509	1.8
109.10150	7.8
111.08030	1.0
114.05521	7.5
115.05438	1.1
116.06218	1.0
116.07047	3.2
117.07012	8.9
119.08566	27.0
120.08092	3.9
120.08877	1.9
121.06564	1.0
121.10129	9.1
122.09631	2.5
123.08086	1.4
123.11731	1.3
124.07541	0.9
126.09129	1.5
128.06184	3.1
128.07054	19.3
129.06967	4.0
130.07755	2.3
131.08554	19.1
132.08063	1.2
133.08635	1.2
133.09108	1.1
133.10114	13.6
134.09630	2.4
135.08047	4.9
135.11668	3.3
136.11255	1.8
137.09612	1.1
137.85117	0.9
140.07031	1.7
141.06955	2.6
142.07710	3.8
142.08681	9.5
143.08554	11.7
144.09302	2.6
145.10115	18.9
146.09586	1.8
147.07994	1.8
147.11679	4.6
148.11176	5.5
149.13176	2.0
152.07062	2.4
153.06947	1.2
154.08615	29.4
155.08527	2.8
156.09253	3.4
157.10117	13.5
158.10863	1.7
159.11658	6.4
160.11118	2.0
161.09578	2.8
161.13234	1.0
164.07022	2.0
165.09047	3.1
167.08530	2.4
168.10294	6.8
169.10092	6.1
171.11713	6.0
172.11121	2.2
173.13242	12.9
174.12738	4.3
175.11000	1.0
175.14777	2.3
178.08627	5.3
179.08470	2.8
180.10217	1.7
181.10080	2.6
183.11646	5.7
184.12489	1.8
185.13240	2.8
186.12762	1.4
187.14734	2.1
188.14291	1.3
192.10196	2.2
193.10135	1.3
194.11827	14.8
195.11700	2.9
197.13222	2.3
199.14819	5.4
200.14330	1.0
201.16348	2.4
207.11629	1.6
209.13251	5.2
209.14915	1.1
214.15709	1.1
216.10252	2.4
217.15840	2.8
218.11815	4.9
219.12259	1.6
220.13206	3.9
221.13222	1.0
223.14749	2.0
225.16544	1.2
226.10780	2.3
226.15808	1.1
230.11682	1.3
232.13223	2.7
233.14017	1.3
234.14503	1.2
235.14819	2.0
237.16394	1.2
239.67204	0.9
244.13364	1.2
247.97739	0.9
248.16411	1.2
249.16231	1.0
253.31297	0.9
258.14899	1.3
265.19623	2.6
283.20392	1.8
284.16443	2.1
286.17935	3.0
290.07455	1.0
302.17499	3.8
309.21930	1.4
314.21103	7.6
317.19775	2.8
332.22165	100.0
333.22430	4.6
380.27896	6.0
406.27429	7.5
424.28369	71.5
425.28677	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	424.269
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	2.7
55.01856	6.1
55.05505	35.7
57.03421	4.1
57.71210	1.4
59.05001	1.5
65.01929	1.4
65.03949	1.6
67.05496	21.4
68.05023	12.4
69.03416	5.3
69.07069	17.8
69.51782	2.3
69.52182	11.8
70.06585	44.0
71.04974	2.2
71.49495	1.8
72.08141	4.1
73.89397	1.3
79.05482	22.3
81.03408	26.2
81.07047	45.8
82.06565	4.2
82.07394	2.0
83.04978	12.7
83.08612	29.2
84.08135	7.2
84.21569	1.5
85.02882	3.3
85.06511	1.9
89.06046	1.7
91.05461	16.1
93.07041	19.8
95.04953	15.5
95.08588	14.5
96.08115	21.9
97.02883	2.3
97.06516	5.6
97.10165	25.6
99.08088	2.1
100.07607	14.5
105.07014	15.3
106.07299	1.8
107.04954	4.0
107.08585	13.2
108.08944	1.3
109.06503	4.1
109.10155	7.3
110.06053	7.0
111.04394	3.0
111.08080	8.2
112.07585	5.2
114.05524	13.2
114.09124	6.6
114.86693	1.7
116.07095	23.2
117.06991	4.3
119.08588	8.6
121.06515	1.7
121.10120	6.7
122.06065	1.4
122.09660	1.6
123.08060	10.9
123.11682	2.0
124.07611	1.9
124.08407	1.6
125.09603	15.6
128.07059	13.5
129.07005	4.3
131.08571	7.4
133.06497	2.9
133.10135	8.0
135.08023	3.9
135.11682	1.9
137.03375	1.3
137.09615	5.1
140.07056	4.8
142.08627	58.6
145.10121	4.8
147.04323	1.9
147.08015	5.8
147.11659	7.3
149.09601	3.9
151.07553	2.8
154.08577	1.6
156.06566	17.5
156.10211	3.5
157.10150	6.2
157.17610	1.3
158.08086	2.3
159.11664	2.5
161.09564	3.4
161.13255	2.9
163.11150	5.6
165.09128	8.3
165.12779	2.0
166.09471	1.5
168.06538	3.0
171.11694	1.7
175.11223	8.9
179.10703	1.6
183.11481	1.8
187.11180	1.8
187.13217	1.5
187.47298	1.4
189.11218	6.3
191.10614	2.2
192.13792	3.3
193.12216	30.4
196.13316	5.7
205.12094	1.8
210.14963	2.2
211.13269	100.0
212.13687	2.7
223.11406	1.6
223.13232	9.2
227.12714	2.7
236.16466	2.8
238.14372	23.8
239.12737	1.5
248.16443	3.0
254.13751	2.3
254.17479	14.4
266.17441	12.8
273.18411	10.1
291.19556	24.8
294.16965	2.5
296.18597	3.9
300.17957	8.6
307.24768	1.5
309.20523	6.2
310.19910	1.9
312.18054	23.6
312.99176	1.4
313.18268	2.1
326.19571	3.9
378.26373	3.1
406.25797	3.5
424.26791	10.0
424.31894	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	424.2688
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	0.6
55.05513	2.6
55.05726	0.4
60.10330	0.4
67.05500	7.3
67.79950	0.4
68.05022	9.6
69.03426	1.6
69.05796	1.6
69.07061	3.1
70.06585	3.0
71.04980	0.5
71.72913	0.7
79.05489	6.3
81.07047	20.0
82.07373	0.6
83.04962	0.6
83.08608	1.8
85.06526	0.5
86.06059	100.0
87.06406	1.0
91.05471	4.9
93.07029	4.3
94.07401	0.5
95.04951	1.9
95.08598	6.5
97.06516	0.8
97.10155	0.6
99.08105	0.6
105.07019	6.5
107.04939	0.8
107.08588	2.8
109.06519	3.7
109.10160	2.6
114.05521	11.0
117.07009	1.0
119.08588	5.0
121.10139	3.3
123.08045	1.8
123.11718	2.9
131.08554	1.9
132.06554	17.9
133.10124	2.8
135.08093	0.7
145.10129	1.8
147.11690	4.3
149.09604	0.9
149.13280	1.0
157.10135	0.6
159.11693	1.0
161.13271	0.5
163.11125	0.5
165.12720	1.8
173.13263	0.9
177.12799	0.4
247.20537	0.5
257.18951	0.7
275.20047	7.8
293.21124	3.1
406.25729	0.8
424.26892	15.3
424.31805	1.1
425.27158	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.269
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	2.7
55.01856	6.1
55.05505	35.7
57.03421	4.1
57.71210	1.4
59.05001	1.5
65.01929	1.4
65.03949	1.6
67.05496	21.4
68.05023	12.4
69.03416	5.3
69.07069	17.8
69.51782	2.3
69.52182	11.8
70.06585	44.0
71.04974	2.2
71.49495	1.8
72.08141	4.1
73.89397	1.3
79.05482	22.3
81.03408	26.2
81.07047	45.8
82.06565	4.2
82.07394	2.0
83.04978	12.7
83.08612	29.2
84.08135	7.2
84.21569	1.5
85.02882	3.3
85.06511	1.9
89.06046	1.7
91.05461	16.1
93.07041	19.8
95.04953	15.5
95.08588	14.5
96.08115	21.9
97.02883	2.3
97.06516	5.6
97.10165	25.6
99.08088	2.1
100.07607	14.5
105.07014	15.3
106.07299	1.8
107.04954	4.0
107.08585	13.2
108.08944	1.3
109.06503	4.1
109.10155	7.3
110.06053	7.0
111.04394	3.0
111.08080	8.2
112.07585	5.2
114.05524	13.2
114.09124	6.6
114.86693	1.7
116.07095	23.2
117.06991	4.3
119.08588	8.6
121.06515	1.7
121.10120	6.7
122.06065	1.4
122.09660	1.6
123.08060	10.9
123.11682	2.0
124.07611	1.9
124.08407	1.6
125.09603	15.6
128.07059	13.5
129.07005	4.3
131.08571	7.4
133.06497	2.9
133.10135	8.0
135.08023	3.9
135.11682	1.9
137.03375	1.3
137.09615	5.1
140.07056	4.8
142.08627	58.6
145.10121	4.8
147.04323	1.9
147.08015	5.8
147.11659	7.3
149.09601	3.9
151.07553	2.8
154.08577	1.6
156.06566	17.5
156.10211	3.5
157.10150	6.2
157.17610	1.3
158.08086	2.3
159.11664	2.5
161.09564	3.4
161.13255	2.9
163.11150	5.6
165.09128	8.3
165.12779	2.0
166.09471	1.5
168.06538	3.0
171.11694	1.7
175.11223	8.9
179.10703	1.6
183.11481	1.8
187.11180	1.8
187.13217	1.5
187.47298	1.4
189.11218	6.3
191.10614	2.2
192.13792	3.3
193.12216	30.4
196.13316	5.7
205.12094	1.8
210.14963	2.2
211.13269	100.0
212.13687	2.7
223.11406	1.6
223.13232	9.2
227.12714	2.7
236.16466	2.8
238.14372	23.8
239.12737	1.5
248.16443	3.0
254.13751	2.3
254.17479	14.4
266.17441	12.8
273.18411	10.1
291.19556	24.8
294.16965	2.5
296.18597	3.9
300.17957	8.6
307.24768	1.5
309.20523	6.2
310.19910	1.9
312.18054	23.6
312.99176	1.4
313.18268	2.1
326.19571	3.9
378.26373	3.1
406.25797	3.5
424.26791	10.0
424.31894	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	424.2538
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96825	3.6
55.05510	21.6
58.06612	4.5
61.01139	7.8
67.05486	6.4
69.03424	15.0
69.07066	9.5
69.72507	30.7
70.06594	58.3
71.04972	10.9
72.08140	12.8
79.05486	10.1
81.03428	4.8
81.07059	13.7
83.04980	11.2
83.08619	16.0
84.04498	15.3
84.08128	33.2
85.02896	24.7
85.06538	6.0
86.09702	22.1
91.05476	16.1
93.07028	18.1
95.04969	13.6
95.08584	7.5
97.06506	12.8
99.04442	6.2
103.05456	6.0
105.07024	12.9
107.04977	6.3
107.08588	24.2
109.02879	8.1
109.06505	8.0
109.10158	12.9
110.07161	4.8
111.08050	4.7
115.07555	10.6
116.07086	16.0
116.10768	8.5
118.06855	10.3
119.08588	7.2
120.08108	14.8
121.10141	51.4
122.06014	6.4
123.11747	6.1
125.09660	6.7
127.03936	7.1
129.10228	13.8
130.06584	12.0
131.08543	7.6
133.10155	18.5
136.07550	25.6
136.23027	4.9
137.02342	6.1
144.06557	4.5
145.10056	5.9
147.04410	29.1
151.11180	18.7
153.09123	9.5
163.14857	16.0
167.14308	21.4
173.13277	10.2
182.08150	5.3
191.14308	19.6
209.15373	100.0
211.09676	4.6
215.14032	5.5
227.16388	12.5
244.09648	29.2
262.10660	10.7
303.09885	5.0
311.05902	4.6
341.06512	17.9
357.74619	4.6
407.07568	10.9
424.15845	15.3
425.08459	17.2
425.17297	5.2
428.56332	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	424.1744
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33295	1.4
55.01863	5.5
55.05503	5.2
56.05019	3.3
57.03434	15.5
58.99593	7.3
69.03423	2.4
69.07053	6.3
70.02940	5.1
70.06581	6.9
71.04982	1.6
71.71178	1.8
71.71574	1.4
73.01087	1.4
74.00653	30.0
75.51998	1.6
76.02225	15.5
76.04000	12.4
78.01804	3.0
78.03809	3.4
79.05482	6.2
80.04985	1.4
81.07047	25.0
83.06100	4.3
83.08613	2.7
84.04498	40.8
84.08130	6.6
85.02894	4.7
85.04021	28.1
86.09724	2.4
86.99027	1.5
91.05465	2.0
92.01686	9.7
97.02907	2.3
97.06525	13.6
98.09682	2.9
98.97594	1.9
99.04492	2.3
99.05570	21.7
99.08084	98.9
100.08443	1.7
107.04951	2.4
107.06069	1.8
112.03966	8.4
113.03474	8.3
113.04208	3.7
114.05524	1.6
116.01657	11.2
116.07100	2.2
119.04940	3.5
127.04988	3.7
127.05811	3.7
129.03700	9.0
129.06586	6.4
130.04991	43.6
131.04515	23.8
131.05386	2.1
135.05489	1.8
136.07545	1.9
139.05766	2.2
142.03221	1.6
144.01146	6.1
144.08333	1.9
145.06068	41.5
147.04399	5.3
149.03818	2.9
153.06616	3.9
156.08485	2.1
157.06822	2.6
160.00664	5.5
162.02199	20.3
164.01729	1.5
174.09473	16.0
175.07780	11.4
177.03279	100.0
179.04828	14.0
181.04565	1.8
181.06078	6.5
185.03775	5.7
192.10605	1.5
199.07094	4.3
221.85501	1.6
230.08299	3.6
231.04352	8.7
237.02899	2.2
242.08437	5.2
247.10973	3.5
256.09241	3.3
259.11081	5.7
260.09500	30.2
274.10382	4.5
277.12170	33.7
278.10532	4.2
288.06467	5.2
295.13269	6.3
306.07446	9.2
331.13235	8.0
349.14157	6.7
381.11398	1.9
406.16269	5.0
424.17990	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	423.3617
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	4.6
55.05505	26.4
57.03441	2.7
57.07054	10.6
59.04988	3.1
65.03957	3.3
67.05136	3.7
67.05499	66.8
69.03407	6.9
69.07060	33.2
69.81056	5.0
69.81398	19.9
71.08602	4.6
79.05488	36.3
81.03403	9.6
81.07050	91.0
82.07300	2.8
83.04969	6.2
83.08610	18.2
85.02866	3.2
85.10149	4.2
91.05463	30.2
93.07035	69.4
95.04958	6.2
95.08596	100.0
97.02898	6.1
97.06503	5.3
97.10168	8.9
105.07017	45.4
107.08578	68.5
109.06503	6.7
109.10146	82.3
111.04409	2.8
111.08058	11.5
117.06994	10.4
119.08565	51.2
121.06476	4.3
121.10139	54.5
123.08073	10.4
123.11693	19.3
125.09608	5.3
129.07030	5.0
131.08559	27.0
133.10117	37.4
135.08020	2.7
135.11681	46.0
137.13243	4.1
143.08559	11.0
145.10085	29.6
147.07996	2.7
147.11678	28.0
149.13214	27.6
155.08522	4.3
156.09286	3.1
157.10124	11.1
159.11679	33.3
160.12285	2.9
160.69252	2.7
161.13263	25.1
163.14821	17.9
169.10196	4.9
169.51649	3.1
171.11655	8.8
173.13249	20.9
175.14825	13.7
177.12721	3.2
177.16435	14.0
179.14282	5.9
185.13223	9.0
187.14796	18.9
189.12766	3.3
189.16354	17.3
191.17926	47.4
192.18304	3.0
197.13290	3.1
199.14825	6.6
201.16299	19.9
203.17844	13.3
205.04964	3.3
205.19525	4.2
211.14735	3.0
213.16376	9.9
215.17934	9.1
217.19508	10.0
219.17549	3.2
225.16222	3.1
227.18004	6.2
229.19495	9.7
231.17360	3.6
231.21040	4.2
233.19072	4.1
239.17773	3.7
241.19501	6.6
243.20935	7.8
251.17921	3.2
253.19550	4.1
255.38353	2.9
257.22610	4.5
259.20633	6.0
261.22192	3.5
267.21048	2.8
269.22504	3.0
281.22629	5.0
295.24164	3.4
297.25705	10.4
299.27316	8.5
331.11700	3.5
331.26163	3.6
349.12601	6.0
369.24039	4.5
387.25497	4.5
405.26492	5.3
405.35159	25.8
423.16385	9.0
423.26727	5.9
423.31290	7.0
423.36154	79.2
424.36679	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3101
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	7.3
57.03405	3.3
57.07061	2.6
62.78210	0.9
67.05499	10.0
69.07056	12.5
70.04402	0.9
70.29203	3.0
71.08630	0.9
78.82472	1.0
79.05487	6.1
81.07046	16.0
83.04988	1.1
83.08593	4.8
91.05495	5.0
93.07042	7.1
95.04956	1.5
95.08598	10.5
97.06516	3.0
98.21131	2.2
99.08050	1.3
105.07014	5.8
107.08586	7.9
109.06499	11.3
109.09498	1.0
109.10130	6.5
111.08080	2.7
119.08543	6.3
121.10096	5.2
123.08054	57.5
123.11697	2.9
124.08396	1.3
131.08534	2.2
133.10095	3.7
135.08032	8.4
135.11670	3.6
137.09613	4.6
144.69919	0.9
145.10097	3.4
147.11650	3.0
149.09604	2.9
149.13246	3.7
159.11667	3.0
161.13228	2.6
175.14832	1.5
177.12723	4.7
179.14305	18.2
219.17476	1.0
233.18925	1.3
247.20491	1.0
261.22269	1.2
263.20026	1.3
275.19980	5.1
289.25284	1.4
293.18173	1.2
293.20981	4.8
303.26733	5.3
313.25546	1.2
331.26303	33.4
332.26834	1.7
349.27380	10.0
361.27136	1.2
367.24759	3.3
405.30035	2.0
423.31036	100.0
424.31512	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3101
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03914	0.7
55.01830	1.9
55.05503	6.6
57.03389	2.5
57.07072	5.9
59.04974	1.3
63.83101	0.6
65.03922	1.5
67.05498	37.0
69.03387	1.9
69.07065	7.4
70.31173	3.1
71.04957	1.8
71.08618	4.6
79.05484	11.3
81.03385	1.9
81.07050	26.4
83.04936	1.9
83.08604	4.9
85.02867	2.8
85.06535	3.9
91.04936	0.8
91.05470	9.6
93.07037	17.3
95.04918	2.5
95.08023	1.0
95.08598	17.5
97.02858	1.3
97.06503	2.6
97.10142	1.3
99.08047	2.3
105.07016	6.6
107.07911	1.2
107.08575	12.7
109.06510	19.1
109.10147	19.0
111.08039	2.2
117.06987	2.6
119.08556	6.9
121.06479	1.4
121.10126	6.9
122.07249	2.4
123.08059	31.5
123.11653	2.3
129.06995	1.1
131.08563	3.4
133.10110	5.9
135.08037	8.4
135.11708	3.5
137.09601	2.4
137.13193	1.2
139.11263	0.7
143.08492	1.2
145.10069	2.9
147.11679	4.1
149.09624	2.1
149.13264	6.2
157.10075	1.3
159.11723	3.4
161.09692	0.9
161.13220	1.5
163.14816	1.2
165.12767	1.5
167.14351	2.1
171.11607	0.9
173.11777	4.3
173.13147	1.2
175.14806	1.4
177.12715	3.4
177.16266	0.7
179.14294	100.0
180.14668	2.7
187.14795	1.2
191.14305	1.1
193.15819	3.5
195.13765	2.1
205.15910	4.1
233.18939	1.5
243.21220	0.7
243.78497	0.7
261.22156	0.9
263.20337	0.8
275.20111	1.9
289.21915	0.9
289.25482	1.3
303.26971	2.2
313.25473	1.3
331.26279	38.0
332.26849	0.8
349.27301	9.5
391.96759	0.8
405.30170	2.2
423.31238	95.8
424.31778	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3102
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	6.8
57.03425	2.6
57.07053	5.4
59.51673	1.5
64.31351	1.3
67.05508	8.8
69.07073	6.7
70.32687	1.2
71.08629	3.1
71.30266	3.3
79.05479	7.5
81.07048	15.2
83.08617	2.9
85.06518	1.9
91.05473	5.1
93.07028	7.2
95.08602	15.0
99.08070	2.8
105.07017	4.8
107.08592	9.0
109.06506	19.0
109.10098	6.7
117.07047	1.8
119.08567	9.1
119.11502	1.3
121.10124	5.3
122.07343	2.1
123.08060	32.9
123.11714	2.9
131.08565	3.0
133.10104	6.0
135.08043	9.9
135.11688	3.3
137.09586	2.0
145.10091	4.5
147.11684	4.4
149.09589	2.4
159.11710	2.0
171.11618	1.3
173.13213	1.9
179.14293	89.9
180.14674	3.4
193.15892	2.7
205.15868	4.9
259.20734	1.9
271.59937	1.4
275.20026	1.8
303.26892	4.1
331.26273	39.5
332.26678	2.9
349.27283	8.5
405.30179	2.1
423.31021	100.0
424.31396	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3102
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	2.1
55.01860	5.7
55.05507	13.7
55.89651	1.0
57.03428	3.4
57.07068	5.2
67.05496	47.3
69.03424	7.8
69.07059	11.5
71.04981	4.5
71.08623	3.6
71.25417	2.2
73.02898	1.1
79.05489	21.3
81.03424	7.5
81.07046	37.2
83.04995	3.5
83.08595	7.0
85.02911	3.1
85.06532	3.4
91.05467	13.4
93.07037	23.6
95.04981	4.4
95.08601	24.1
97.02872	11.0
97.06519	4.1
97.10192	2.5
99.04443	9.2
99.08124	3.1
100.99728	0.9
105.07020	10.7
107.04952	1.3
107.08580	15.3
107.22135	1.0
109.02895	3.7
109.06506	20.2
109.10145	22.7
109.10880	1.5
110.10504	1.1
111.08060	2.4
117.07025	4.1
119.08580	12.9
121.06535	1.1
121.10143	13.2
122.07349	1.2
123.08058	36.3
123.11662	4.7
123.82391	0.9
125.09660	1.2
127.03899	13.5
131.08549	6.8
133.10114	8.8
135.08037	8.9
135.11700	6.9
137.09619	2.2
137.13246	1.2
143.08568	2.1
145.04990	1.7
145.10143	4.1
147.11711	6.2
149.09674	3.2
149.13206	7.6
149.80473	1.0
151.49699	1.1
155.10625	1.3
157.10188	1.7
159.11681	6.9
161.09596	1.9
161.13338	3.1
163.11266	1.2
163.14812	2.1
165.12784	1.5
171.11736	1.5
173.11781	3.6
173.13310	3.3
175.11159	1.1
175.14850	2.5
175.21027	1.0
177.12671	4.6
179.14293	68.7
180.14674	1.0
187.14847	1.7
189.16490	1.3
191.14273	2.1
193.15932	2.5
195.13870	2.7
205.15865	2.5
231.10220	1.0
243.21265	1.6
259.20551	1.2
261.22095	5.0
275.20151	3.8
277.21613	1.0
303.26987	3.9
331.26288	45.5
332.26727	3.1
349.27408	2.1
367.24969	1.4
380.54984	1.0
423.31204	100.0
424.31427	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3101
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38496	0.6
53.03933	0.8
53.81947	0.5
55.01851	1.6
55.05510	6.0
57.03414	2.2
57.07071	5.9
67.05497	11.8
69.03414	2.3
69.06750	0.7
69.07064	8.9
70.81612	0.6
70.81953	1.7
71.04976	1.4
71.08621	5.3
79.05080	0.8
79.05482	9.7
81.03403	1.3
81.07048	18.2
83.04964	1.3
83.08602	3.2
85.05959	0.5
85.06519	3.5
91.05471	6.2
93.07030	10.5
95.04926	2.0
95.08594	14.3
96.66044	0.6
97.02892	4.5
97.06496	2.0
97.10153	2.1
99.04418	2.6
99.08102	2.9
105.07014	6.0
107.08576	7.8
109.02850	0.9
109.06503	19.7
109.10146	5.8
111.08039	1.6
117.06995	0.9
119.08562	5.8
121.06480	1.3
121.10130	6.0
122.07261	1.6
123.08060	34.3
123.11668	2.7
127.03875	1.4
131.08554	3.6
133.10112	5.4
135.08044	7.7
135.11688	2.9
137.09584	2.2
137.13258	0.8
143.00046	0.6
143.08479	0.6
145.10107	2.3
147.11665	2.9
149.09601	2.1
149.13197	1.9
151.14832	0.6
157.10094	0.9
159.11676	2.8
161.09641	0.8
161.13226	1.9
163.11122	0.8
163.14755	1.0
165.12735	1.3
167.03314	0.7
167.14322	1.9
173.11758	0.6
173.13232	1.4
175.11038	0.9
175.14810	1.4
177.12715	1.7
179.14291	80.1
180.14630	2.3
187.14775	0.7
191.14262	1.4
193.15845	2.5
200.26836	0.5
205.15834	4.1
233.19046	1.7
243.21141	0.6
261.22012	1.2
263.20084	1.1
275.19995	2.0
289.25281	1.1
293.21106	0.9
303.26846	2.2
307.22772	0.6
313.24637	0.7
331.26285	41.2
332.26703	2.2
349.27380	9.6
367.24725	1.5
405.29865	1.7
423.31024	100.0
424.31366	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2733
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.7
53.06012	1.5
55.01859	3.9
55.05511	17.0
57.03425	5.2
57.07063	4.4
59.04990	2.6
60.11140	1.5
65.03931	2.6
67.05499	64.1
69.03419	5.0
69.07066	20.4
71.04958	5.3
71.08631	1.6
71.74718	2.0
72.08145	3.1
73.44402	1.4
78.24052	1.3
79.05492	25.1
80.20431	1.4
81.03398	8.7
81.07049	52.6
83.04958	6.5
83.08615	11.5
85.02908	3.5
85.06523	5.1
85.37480	1.5
86.06063	3.5
91.05476	23.9
91.47241	1.4
93.07037	30.5
95.04970	9.3
95.08591	30.4
97.02880	1.7
97.06518	5.2
97.10149	4.8
99.08060	3.2
100.63517	1.6
105.07016	18.3
107.04932	2.7
107.08578	21.6
109.02833	1.9
109.06476	10.1
109.10148	35.4
111.04433	2.2
111.08038	4.6
117.07018	6.4
119.08571	18.4
121.10150	16.3
123.08049	39.3
123.11655	3.7
124.08363	1.9
125.09612	1.8
129.05467	1.9
129.06992	4.2
131.08521	10.1
132.06602	2.3
133.10121	10.0
135.08028	11.3
135.11674	11.0
137.09602	2.9
137.13254	1.7
142.07603	1.9
143.08603	2.3
145.10109	8.9
147.11656	9.3
149.09575	4.6
149.13219	11.6
157.10123	4.2
159.11662	9.8
161.09607	1.9
161.13332	2.9
163.11189	3.9
169.10103	3.3
171.11708	2.6
173.11737	5.1
173.13264	6.7
177.12749	5.4
179.14304	20.2
185.13289	1.9
195.13789	2.1
197.13303	2.5
199.14796	2.3
259.20645	2.3
261.22141	5.1
269.10385	1.8
275.20038	4.0
275.23853	2.2
277.21704	1.7
293.20920	1.7
303.23129	4.3
303.26810	4.6
331.26297	33.8
333.17282	3.1
349.27325	3.3
367.24561	2.0
369.24179	6.6
387.25223	3.7
405.25964	4.1
423.27042	100.0
423.31235	42.5
424.27448	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2736
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	9.9
53.58365	2.7
53.58707	2.9
55.01860	15.9
55.05273	3.5
55.05508	37.6
57.03427	9.2
57.07064	22.4
59.04992	3.3
65.03931	8.4
67.05495	91.6
69.03427	40.8
69.07055	33.1
70.71632	10.3
71.04976	5.5
71.08614	12.1
73.02911	4.7
75.99373	2.8
79.05477	65.6
81.03405	54.1
81.07045	100.0
83.04969	15.1
83.08610	15.0
85.02882	19.6
85.06541	8.0
85.10182	9.9
89.06015	13.8
91.05470	61.7
93.07030	77.1
95.01343	9.6
95.04946	19.4
95.08591	68.0
97.02869	18.3
97.06518	9.8
97.10164	12.4
98.10509	3.4
99.04435	10.4
103.03923	4.0
105.07019	56.4
107.04945	7.8
107.08576	48.1
109.02861	6.2
109.06522	13.4
109.10141	38.0
111.04447	8.8
111.08067	5.2
117.07000	22.8
119.08563	44.6
121.06497	11.0
121.10130	37.1
123.04453	6.4
123.08038	10.8
123.11706	15.1
125.09615	10.1
127.03927	6.8
128.06203	6.9
129.07008	13.3
130.62024	3.4
131.08557	38.5
133.06480	7.1
133.08604	6.4
133.10106	34.2
135.06993	3.0
135.08023	7.8
135.11661	20.5
137.05992	3.7
137.09589	5.1
139.11150	5.3
141.07008	3.3
143.08559	9.9
144.09860	3.3
145.06509	5.4
145.10127	35.1
147.08011	7.1
147.11630	20.5
149.09618	10.0
149.13260	10.8
151.03844	3.3
151.07539	6.6
155.08463	5.7
157.06512	4.4
157.10141	12.8
159.08083	4.7
159.11656	19.4
161.05954	3.9
161.09634	4.1
161.13271	21.4
163.11150	4.2
163.14775	4.7
165.12794	4.5
169.10120	5.8
171.08076	5.6
171.11765	10.7
173.09636	3.9
173.13283	12.0
175.11223	5.2
175.14772	9.9
179.14264	3.6
181.10106	5.1
183.11627	7.4
185.13237	5.6
187.11113	3.7
187.14839	7.5
189.11223	5.3
189.12762	6.2
189.16289	4.4
195.11813	4.3
197.13243	4.0
199.14908	8.1
201.12801	3.8
211.14610	3.1
213.12901	6.0
225.16486	3.3
241.15843	3.7
241.19609	7.6
243.21182	5.0
259.20514	11.7
261.22107	16.4
271.20776	4.1
273.22141	4.5
277.21600	9.6
285.22073	4.6
289.21402	5.4
291.23163	3.9
301.21533	6.5
303.12201	7.5
303.23248	20.8
319.22556	5.3
321.13361	4.6
323.23938	3.4
327.23102	6.5
341.24701	7.5
345.24048	7.0
349.12607	10.5
351.23129	6.9
369.24072	19.7
387.25174	22.1
404.79993	4.0
405.26422	28.4
423.16437	19.7
423.26974	18.1
423.36160	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2738
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32164	2.0
53.03941	15.0
55.01868	15.5
55.05508	22.3
57.03428	7.7
57.07072	6.7
59.04993	9.0
65.03940	2.7
67.05500	91.4
69.03426	37.6
69.07064	22.2
70.18382	10.5
71.01337	4.7
71.04982	14.1
73.02909	6.4
79.05486	80.8
81.03414	39.8
81.07049	100.0
83.04992	5.7
83.08607	9.3
85.02897	11.7
85.06541	2.5
90.74143	2.5
91.05473	45.2
93.07035	91.3
95.04964	11.5
95.08598	74.2
97.02884	83.4
97.06483	5.2
97.10161	5.4
99.04445	55.7
99.08116	2.6
101.02386	4.2
105.07025	38.4
107.04962	2.3
107.08590	52.6
109.02874	27.6
109.06487	3.9
109.10156	40.0
111.04424	3.9
111.08100	3.8
115.11185	2.5
117.06988	15.6
119.08578	31.4
121.10136	46.4
123.08031	4.9
123.11694	13.1
126.58970	2.2
127.03898	66.5
129.07002	5.2
131.08556	25.4
133.06447	3.8
133.10089	24.2
135.11681	31.0
137.09657	2.7
137.13240	4.7
143.08510	3.0
145.04950	7.4
145.06522	2.6
145.10117	24.2
147.11679	18.1
149.13280	18.4
157.10107	4.4
159.11703	15.9
161.13242	17.6
163.11145	3.2
163.14836	3.0
171.11699	3.8
173.13222	18.8
175.14801	4.9
179.14294	3.3
185.13274	4.4
187.14766	8.3
199.14865	3.8
201.16306	2.4
215.17897	3.1
241.19429	4.4
243.20992	3.5
259.20660	9.7
261.22147	44.7
277.21487	3.6
279.23257	3.6
313.70041	2.6
329.24960	2.9
339.23206	5.6
357.24219	4.4
369.24170	3.4
405.26593	3.3
423.27188	18.7
435.63770	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	423.2737
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	3.8
55.01849	10.6
55.05500	32.4
57.03420	8.5
57.07071	15.0
59.46601	3.0
65.03929	4.1
67.05141	5.1
67.05499	100.0
67.67078	2.3
69.03428	17.3
69.07052	20.1
71.01340	3.6
71.04971	10.3
71.08621	21.1
71.23045	7.6
73.02897	3.4
77.81844	2.8
79.05484	53.6
80.05814	2.9
81.03424	20.6
81.07050	80.3
83.04971	8.8
83.08602	16.4
85.02899	8.6
85.06538	5.0
85.10162	11.6
89.06026	25.6
89.56163	2.6
91.05464	37.9
93.07037	61.1
93.93442	2.5
95.01316	8.0
95.04964	16.2
95.08588	46.4
97.02880	26.4
97.06528	10.6
97.10152	13.8
97.56202	3.4
99.04444	13.5
103.05427	3.3
105.07018	28.0
107.04948	6.7
107.08586	35.1
109.02862	6.3
109.06503	9.7
109.10152	45.3
111.04428	3.1
111.08074	4.1
113.02410	2.9
117.07017	15.6
119.04954	3.6
119.08578	25.8
121.06476	4.0
121.10130	25.3
123.04415	5.0
123.08048	14.4
123.11678	9.7
125.09617	10.1
127.03917	10.1
129.06998	10.9
131.08533	22.6
133.06485	3.5
133.08582	12.0
133.10089	19.6
135.04355	3.7
135.08003	3.2
135.11642	19.5
137.09570	5.2
141.06961	3.6
142.07816	2.9
143.08548	6.5
145.04976	3.9
145.06435	5.4
145.10054	12.8
147.04402	4.1
147.11665	11.2
149.02315	3.5
149.09596	5.1
149.13246	15.6
151.03966	3.2
153.05652	2.6
155.08487	5.9
157.10129	8.6
159.08018	4.8
159.11641	13.4
161.09641	3.5
161.13222	8.4
161.54753	2.7
163.11176	4.3
163.14934	3.3
167.03299	4.8
169.10065	5.1
171.11662	6.3
173.09660	2.8
173.11731	7.9
173.13257	9.6
177.01872	2.8
177.12787	3.6
179.14333	11.1
183.11702	4.4
185.09608	3.1
185.13281	4.3
187.11102	6.5
187.14804	6.1
195.12112	2.6
195.13847	5.5
197.09520	3.1
199.14697	2.9
203.10600	5.2
206.46758	2.9
208.89549	3.3
213.09047	3.9
220.47598	2.7
231.10127	2.7
243.21198	3.1
259.20712	3.0
261.22122	9.5
277.21698	3.0
289.21512	3.4
291.23151	3.5
301.10419	3.4
301.21579	3.6
303.12207	8.1
303.23132	7.4
313.10593	3.4
321.13318	7.4
331.11874	4.4
331.26181	6.2
345.24509	4.1
349.12906	12.7
369.24210	13.1
387.25214	11.6
405.26199	8.9
423.16516	28.6
423.27240	20.7
423.31323	17.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2738
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.7
53.36942	2.3
55.01867	7.5
55.05499	20.6
56.18811	2.4
57.03431	9.8
57.07063	4.9
65.03922	4.3
67.05499	100.0
67.46279	2.2
68.05758	2.6
69.03424	23.2
69.07060	28.1
71.04986	8.8
71.08642	4.5
71.48221	3.5
71.48569	2.7
73.02901	3.7
79.05483	49.2
81.03416	24.4
81.07050	80.1
81.93937	2.8
83.04974	9.7
83.08622	18.8
85.02894	11.4
85.06524	3.4
91.05474	39.8
93.07035	56.6
95.04963	16.8
95.08590	53.6
97.02883	10.6
97.06517	7.5
97.10175	6.5
99.08100	4.7
103.03962	3.3
105.07022	42.3
105.46371	2.9
107.04929	5.3
107.08588	38.9
109.02889	6.7
109.06510	9.1
109.10145	55.9
111.04421	8.1
111.08076	5.9
117.07017	19.5
119.08569	35.0
120.48644	2.5
121.06488	9.7
121.10129	22.4
123.04418	3.6
123.08063	12.1
123.11678	7.9
125.09666	4.9
127.03945	2.6
127.74402	2.6
128.06114	2.7
129.05560	3.6
129.06990	13.6
130.07773	2.7
131.08549	23.0
133.06476	5.1
133.10121	21.1
135.08015	8.9
135.11671	16.9
137.09581	5.0
137.13228	4.7
139.11176	2.9
141.06992	3.1
143.08565	10.3
145.06537	3.9
145.10109	19.8
147.08022	4.1
147.11650	16.5
149.09615	5.7
149.13243	13.1
151.07565	3.5
155.08548	3.4
157.10114	6.6
159.07993	3.7
159.11649	21.6
161.09622	5.0
161.13269	10.5
163.11166	3.1
163.14951	3.7
167.08485	3.4
169.10085	4.0
171.08028	2.5
171.11673	7.7
173.11780	5.9
173.13263	9.7
175.11192	6.0
175.14819	2.6
177.12782	6.0
179.14293	10.9
183.11696	4.4
185.09628	3.3
185.13292	8.3
187.11179	3.2
187.14867	4.6
195.13838	4.8
199.14870	3.7
203.17917	3.0
209.13139	3.3
243.21046	4.0
259.20551	3.0
261.22141	11.5
271.20630	3.0
275.16113	3.3
277.21515	7.3
285.22018	3.8
289.18329	3.0
289.21661	4.9
291.23239	4.0
301.21423	3.3
303.23209	12.0
315.23215	3.4
327.23322	3.1
331.26309	8.5
341.24667	5.4
345.24252	5.1
351.23169	5.1
369.24255	17.8
387.25204	20.2
405.26468	17.7
423.16193	4.7
423.26352	27.1
423.31573	11.8
423.36478	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2739
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66249	4.2
53.03936	12.2
55.01858	13.5
55.05501	32.5
57.03419	12.6
59.04964	4.5
67.05504	84.5
69.03432	40.4
69.07059	34.4
69.80394	28.1
71.04986	11.2
73.02914	4.0
78.49146	4.0
79.05492	60.7
81.03422	53.0
81.07057	100.0
82.07392	4.8
83.04956	11.2
83.08611	17.0
85.02876	17.7
91.05478	62.8
93.07046	81.6
95.04984	23.0
95.08595	69.0
96.08942	5.0
97.02883	12.7
97.06504	7.7
97.10166	7.2
99.04473	9.8
105.07011	50.8
107.04940	9.9
107.08584	47.0
109.06482	12.1
109.10152	38.8
111.04465	8.2
111.08064	6.2
115.03922	5.0
117.07002	25.7
119.08580	42.9
121.06496	9.4
121.10143	34.0
123.04420	7.8
123.08026	13.3
123.11710	9.8
125.05931	5.3
125.09612	5.6
127.03912	7.1
129.06998	17.6
131.08569	37.7
133.06500	6.5
133.10118	43.3
135.08020	6.6
135.11703	26.4
137.09657	6.4
137.13226	5.4
141.07002	6.1
142.07750	5.7
143.08548	17.2
145.06488	4.8
145.10117	29.5
147.08043	6.4
147.11691	25.3
149.09584	10.1
149.13214	15.3
151.07504	7.5
155.08458	5.6
157.10104	12.7
159.11682	19.3
161.09660	6.0
161.13257	16.3
163.14806	6.9
165.09108	12.5
169.10126	12.0
171.11710	9.2
173.13268	19.5
175.11166	6.9
175.14793	7.8
179.14255	7.0
183.11699	7.1
185.13222	6.3
185.85298	4.9
187.11090	6.8
187.14796	10.0
189.12726	5.2
199.11194	4.7
199.14864	5.9
203.14397	5.4
211.14827	5.7
213.16489	5.1
241.19450	6.9
246.02661	4.0
259.20572	18.9
261.22119	18.5
273.22009	5.5
277.21603	8.6
285.21939	4.7
303.23132	18.2
323.23886	4.4
331.26123	7.6
341.24805	10.1
345.24075	7.9
351.23428	5.3
369.24161	27.9
387.25391	27.7
405.26334	26.3
423.26492	19.9
423.31870	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2737
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31179	2.5
53.03938	10.1
55.01862	8.8
55.05511	28.7
57.03437	9.7
57.07078	7.8
65.03945	5.2
67.05500	92.9
69.03438	29.0
69.07064	35.8
69.82618	20.7
71.04996	6.0
71.08648	3.7
74.26151	3.3
79.05487	63.8
79.05919	5.4
81.03416	32.8
81.07049	95.1
83.04995	10.0
83.08613	17.1
85.02924	10.6
85.06544	5.3
91.05472	52.4
93.07040	73.8
95.04969	16.8
95.08599	66.0
97.02868	15.4
97.06543	8.7
97.10210	6.7
98.21347	4.3
99.04443	6.7
99.08102	5.7
103.03965	4.8
105.07033	45.3
107.04966	7.2
107.08588	46.9
109.02898	7.5
109.06500	18.6
109.10149	34.7
111.04458	6.9
111.08102	5.6
111.11731	4.0
117.07040	19.3
119.08575	48.6
121.06522	11.3
121.10145	40.3
123.04483	3.6
123.08060	55.1
123.08863	4.7
123.11742	18.5
123.12520	3.0
127.03951	3.9
129.05516	3.8
129.07040	13.8
131.08549	32.1
133.06491	4.9
133.10123	31.5
135.08087	12.1
135.11676	30.3
137.09692	8.7
137.13239	3.3
141.07039	4.9
143.08624	12.4
145.06424	3.0
145.10109	27.0
147.08037	6.5
147.11691	26.0
149.09662	10.4
149.13275	20.0
155.08589	5.5
157.06561	2.9
157.10168	6.7
159.08055	4.3
159.11656	23.6
161.09619	4.2
161.13321	13.9
163.11192	6.9
163.14952	9.0
163.65012	3.0
169.10133	6.8
171.11685	14.6
173.09686	4.4
173.13223	17.3
175.11360	3.8
175.14838	8.5
177.12823	10.5
179.12918	4.4
179.14265	19.6
183.11700	5.1
185.13342	10.8
187.14859	6.7
189.12828	4.2
195.11688	5.4
197.13330	4.1
199.11151	3.6
199.14853	5.3
206.58914	3.2
213.12686	3.2
232.14099	2.9
241.19588	4.8
245.23026	3.4
249.14880	4.9
259.20731	11.5
261.22159	19.7
273.22278	4.7
275.20331	5.2
275.23758	6.0
277.21884	5.8
285.22043	3.5
289.21762	3.9
291.23358	6.9
293.21246	4.6
303.23328	23.6
303.26651	6.0
315.23154	5.2
319.22839	5.7
327.23425	4.2
331.26248	36.3
341.24893	4.7
345.24512	6.0
349.27484	10.9
351.23242	6.3
369.24182	19.6
387.25461	27.8
405.26120	25.1
423.31345	100.0
424.31958	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	423.2737
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	5.6
55.01863	7.2
55.05507	15.7
57.03427	4.8
57.07067	4.7
59.05011	1.6
65.03939	2.2
67.05495	39.3
69.03426	16.8
69.07066	16.3
70.44191	5.6
71.04990	4.9
71.08621	2.3
73.02911	4.7
79.05488	27.3
81.03410	13.8
81.07049	45.8
83.04992	3.0
83.08620	8.7
85.02898	3.7
85.06521	2.9
91.05458	18.9
93.07040	31.6
94.70974	1.6
95.04927	3.7
95.08594	31.3
97.02883	22.5
97.06528	4.9
97.10149	3.1
98.34963	1.8
99.04448	22.2
101.40088	1.4
105.07037	14.8
107.08576	23.7
109.02850	9.8
109.06515	14.6
109.10149	16.6
111.08085	4.3
117.07011	5.2
119.08565	15.5
121.06470	2.0
121.10149	16.4
122.07299	2.3
123.08051	48.8
123.11681	6.3
123.12525	1.4
127.03908	23.9
129.05495	1.7
131.08553	10.0
133.10095	9.6
135.08006	12.4
135.11699	7.9
137.09612	3.9
145.04936	3.0
145.10129	7.0
147.11716	5.9
149.09634	3.6
149.13239	8.0
159.11700	8.4
161.13272	5.3
163.11252	2.0
163.14813	2.6
165.12738	2.4
173.13300	2.6
175.14839	2.6
177.12788	6.8
179.14291	33.0
185.13281	2.1
187.14847	2.4
193.15788	2.0
197.13176	1.7
205.15765	2.1
243.21100	2.6
259.20648	2.1
261.22171	10.2
263.19998	2.7
275.20169	3.5
293.21210	2.0
303.26938	6.2
331.26270	36.4
349.27417	9.6
367.24622	1.8
405.30170	3.8
423.31097	100.0
424.31271	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	423.2735
Annotation	spinosyn macrolactone
Peak:m/z	Relative Intensity
52.03090	4.0
53.03933	8.9
55.01850	6.0
55.05507	32.6
57.03425	8.8
57.07063	5.8
65.03922	5.0
67.05497	100.0
69.03425	36.7
69.07058	27.3
71.04987	9.3
73.02901	4.8
79.05077	5.5
79.05489	72.3
81.03407	53.4
81.06598	7.1
81.07047	95.4
83.04972	13.7
83.08617	15.0
85.02896	19.2
85.06532	5.8
87.04444	3.8
91.05465	68.8
93.07039	91.0
95.04956	14.4
95.08597	73.9
97.02871	15.5
97.06529	10.6
97.10143	4.6
98.21256	18.8
99.04436	11.8
99.08074	4.0
100.49183	3.8
103.03881	6.0
105.07027	56.6
107.04941	11.3
107.08580	52.2
109.02845	6.9
109.06481	12.6
109.10144	35.1
111.04419	10.8
111.11731	3.9
117.06992	28.0
119.08566	48.2
121.06478	7.7
121.10134	40.6
123.08106	9.2
123.11679	14.1
125.09612	7.0
127.03900	9.0
128.06247	6.4
129.06981	15.9
131.08557	41.2
133.06523	7.8
133.10107	39.6
135.08025	8.4
135.11674	26.1
137.13239	5.6
143.08528	17.0
145.06445	3.8
145.10126	25.6
147.08046	9.5
147.11656	23.0
149.09535	6.4
149.13243	18.0
154.07770	3.9
155.08533	5.5
157.10094	14.0
158.06932	3.7
159.11708	28.2
161.09503	4.6
161.13252	13.0
163.14882	5.9
169.10046	9.6
171.11646	13.6
173.11861	4.0
173.13202	18.8
175.11174	8.2
175.14790	8.4
183.11693	9.6
185.13297	7.8
187.11206	6.0
187.14748	6.7
197.13161	7.0
199.14584	4.5
209.13240	4.3
209.15416	4.0
213.12706	4.2
225.16458	3.7
229.72548	4.4
233.15326	4.1
241.19469	5.7
259.20624	16.1
261.22049	25.6
273.22141	8.8
275.23523	4.2
277.21738	9.4
289.21423	10.5
291.23141	5.7
303.23160	16.1
315.23273	5.6
341.24759	6.4
351.23029	8.0
357.24234	4.7
369.24200	25.3
387.24985	22.6
405.26154	22.7
423.27380	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	423.2737
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	9.2
55.01855	9.9
55.05505	27.7
57.03420	11.2
57.07064	6.1
61.88335	2.3
65.03923	7.5
67.05134	4.6
67.05495	89.8
69.03423	33.3
69.07061	31.8
70.00508	15.9
71.01337	3.2
71.04981	8.4
71.08628	2.4
73.02888	6.2
79.05484	72.3
81.03410	42.8
81.07048	100.0
83.04966	12.2
83.08602	13.1
85.02901	15.9
85.06526	4.3
88.51150	2.6
91.05470	59.6
93.07028	85.9
95.04941	17.9
95.08595	70.9
97.02875	12.5
97.06519	8.5
97.10165	8.9
99.04433	10.4
99.08102	3.5
103.03929	7.0
103.05441	3.7
105.07016	54.8
107.04948	8.9
107.08585	43.9
109.02842	6.3
109.06520	10.3
109.10163	31.0
111.04422	9.5
111.08061	4.2
115.05444	4.5
117.07003	26.9
119.08566	47.5
121.06475	8.2
121.10127	36.5
123.04420	5.1
123.08055	8.0
123.11688	17.1
125.09621	5.9
127.03896	6.6
129.05447	4.8
129.06999	15.1
130.07724	3.2
131.08537	36.9
133.06462	7.4
133.10114	35.7
135.08043	6.7
135.11670	31.1
137.09590	7.6
139.11133	4.0
141.06946	6.1
142.07785	3.0
143.08528	15.7
145.06480	6.4
145.10106	32.3
145.23532	2.4
147.08047	8.3
147.11664	30.9
149.09564	3.5
149.13222	17.0
151.07532	2.7
155.08516	6.4
157.10075	12.1
159.08081	5.6
159.11673	26.6
161.09660	5.4
161.13271	17.3
163.11143	5.7
163.14801	8.8
165.09126	5.9
169.10110	6.5
171.07962	3.9
171.11665	13.5
173.09592	4.1
173.13278	21.5
175.14757	8.4
177.12775	3.3
177.16229	2.6
181.10118	5.0
183.11638	4.9
185.13258	9.5
187.14789	9.5
189.12766	4.2
197.13231	4.3
199.14764	5.1
201.16399	3.9
203.14455	2.5
206.64035	2.6
209.13234	3.5
225.16443	2.8
241.19559	5.0
243.21043	7.5
259.20547	17.5
261.22144	23.1
273.22070	8.3
275.23627	4.1
277.21555	8.0
285.22061	3.3
289.21494	7.2
291.23264	2.7
301.21548	2.8
303.23221	16.8
313.21628	4.4
315.23160	6.3
319.22586	4.7
323.23599	5.0
327.22974	4.5
331.22910	3.5
341.24384	3.6
345.24243	5.0
351.23209	6.1
369.24274	22.3
384.98929	2.6
387.25198	21.8
405.26346	25.7
406.26825	5.0
408.50555	3.1
423.26837	14.7
439.88153	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	423.2734
Annotation	spinosyn macrolactone
Peak:m/z	Relative Intensity
50.26559	8.5
55.01863	12.1
55.05510	100.0
67.05494	46.9
69.03410	10.2
69.07054	27.9
70.25473	17.7
70.25867	19.7
79.05490	53.0
81.07040	54.2
82.01388	8.9
83.08598	40.9
91.05473	53.8
93.07030	53.1
95.08589	41.7
97.10165	92.1
97.28113	7.6
105.07014	53.9
107.04940	10.8
107.08577	44.2
109.06477	11.7
109.10136	31.9
117.07025	18.5
119.08562	27.6
125.09610	86.4
129.07011	14.1
131.08537	43.3
133.06523	18.2
133.10121	17.4
135.08041	16.5
141.07019	10.5
143.08528	30.5
145.06503	11.0
145.10162	20.5
155.08498	10.1
157.10077	19.7
159.07997	9.0
159.11615	9.4
171.11781	8.9
185.48495	9.2
189.11203	61.7
199.14844	32.4
217.15881	56.2
219.13728	8.4
221.05537	10.4
235.16962	14.6
237.14828	9.0
263.16467	19.8
323.85742	8.7
351.23099	16.9
369.24258	45.8
387.25208	39.5
405.26297	76.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2738
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.9
53.65062	1.0
55.01874	1.6
55.05274	1.2
55.05508	15.2
57.03427	5.0
57.07072	4.9
58.89883	0.8
59.04982	3.7
60.39212	0.8
65.03924	3.3
67.05500	100.0
68.05830	1.3
69.03406	1.7
69.07059	14.3
70.03368	1.7
70.03790	4.2
71.04977	5.5
71.08613	3.5
79.05488	23.5
81.03388	2.5
81.07052	48.9
83.04975	2.7
83.08614	13.1
84.61340	0.9
85.06541	5.5
85.38086	0.8
91.05475	17.7
93.07034	28.5
95.04974	5.1
95.08599	20.3
97.06541	5.2
97.10122	1.9
99.08071	3.2
105.07021	9.0
107.04961	0.9
107.08588	18.0
109.06504	15.1
109.10149	53.8
111.08087	5.5
111.08746	1.0
111.14760	0.9
117.07013	5.4
119.08573	9.8
121.06477	1.5
121.10132	9.8
122.07256	1.3
123.08063	19.2
123.11692	2.2
125.09554	0.9
131.08548	4.1
133.10101	7.2
135.08043	8.6
135.11667	5.7
137.09610	3.4
137.88791	0.9
143.08473	1.1
145.10138	1.7
147.11638	2.9
149.09641	2.1
149.13249	13.2
151.11185	1.6
155.10616	4.0
159.11688	6.3
161.13185	1.2
165.12715	1.8
167.14272	1.2
171.11679	1.3
173.11743	16.8
173.13162	1.0
177.12675	3.0
179.14297	65.1
180.14687	1.1
184.38599	0.9
193.15863	2.8
195.13753	7.5
205.15887	2.4
233.19119	0.9
303.26843	1.6
331.26273	24.9
349.27292	4.8
367.24402	1.2
400.24146	1.0
405.25903	5.1
406.26611	1.2
423.26822	24.2
423.31046	55.5
424.26855	1.4
424.31534	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	423.2372
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.0
55.01862	13.5
55.05238	3.8
55.05500	48.2
57.03421	10.1
57.07064	2.9
59.04971	2.4
61.02912	3.5
65.03938	7.4
67.05495	100.0
69.03403	2.8
69.07058	28.4
70.06577	7.6
70.13874	3.5
70.14288	10.7
71.04971	7.5
72.08154	3.3
79.05482	53.8
81.03396	6.3
81.07043	80.0
83.04957	8.4
83.08611	29.2
85.02856	2.6
85.06518	7.2
88.07625	3.3
91.05470	49.9
93.07030	54.9
95.01319	15.9
95.04932	17.5
95.08595	33.7
97.02908	3.4
97.06513	6.9
97.10155	8.5
98.21346	4.1
102.09119	3.3
105.07027	42.9
105.54520	2.2
107.04933	9.3
107.08557	23.3
109.02830	3.5
109.06516	11.8
109.10143	45.4
110.16178	2.1
111.00787	2.6
111.04436	4.3
111.08053	11.6
112.16296	2.4
115.05444	2.3
117.07007	18.3
119.04949	3.8
119.08559	34.6
121.02851	3.3
121.06494	7.5
121.10117	17.4
123.04433	5.6
123.08029	6.9
123.11671	4.6
125.09637	5.8
127.03899	3.3
128.06187	3.3
129.07019	12.7
131.08551	26.0
133.06465	4.0
133.10130	20.5
133.24344	2.5
135.04373	2.4
135.08011	8.2
135.11674	11.8
137.02263	3.7
137.05949	15.0
137.09564	5.3
139.03938	3.9
140.07047	4.1
140.16492	2.5
141.06969	5.4
143.08545	11.8
145.06467	3.2
145.10052	14.8
147.04399	5.8
147.08057	4.5
147.11668	7.5
149.02258	12.9
149.06015	2.4
149.09598	5.3
149.13237	13.5
150.02649	4.4
151.03885	4.9
151.07481	3.2
151.11147	2.6
153.09062	3.2
155.08531	6.3
157.10103	12.8
159.07990	4.1
159.11676	12.0
161.09583	3.7
161.13246	5.6
163.03854	2.9
163.07524	4.8
163.11218	3.5
165.05460	16.0
165.09099	7.7
169.06865	2.7
169.10095	6.7
171.11650	7.8
173.09557	4.5
173.11717	11.7
173.13223	9.3
175.03917	2.3
175.11198	5.8
175.14758	2.7
177.12668	2.9
179.10690	4.3
179.14287	3.6
183.10150	4.2
183.11684	3.4
183.48459	2.6
185.13226	8.6
187.07562	3.4
187.11176	5.4
189.05533	2.8
189.12700	5.8
193.04913	13.2
193.12155	4.6
194.05273	11.1
195.13754	4.2
201.12730	4.5
203.10606	4.9
205.12192	3.9
207.10103	5.1
211.14862	3.1
213.12740	3.6
215.10707	3.5
215.14142	3.3
219.13741	3.0
221.15355	3.3
233.15433	2.6
235.13309	4.8
256.26358	2.6
257.19046	2.7
257.26712	5.8
259.13388	2.9
269.15909	4.1
275.19974	5.8
277.14325	3.3
285.21906	2.7
294.59973	3.0
295.20572	4.4
301.17731	2.8
303.19583	5.2
303.23224	3.8
313.21530	16.9
317.21112	7.2
323.20020	2.6
327.19830	3.2
331.22607	20.3
333.21179	2.9
341.20889	3.1
345.20624	10.6
349.23700	6.9
351.19443	9.6
369.20587	18.6
387.21445	21.5
387.25500	3.9
405.22092	34.5
405.26584	9.4
405.89862	2.6
423.22549	6.3
423.28217	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	423.1837
Annotation	Unknow
Peak:m/z	Relative Intensity
55.00681	0.6
60.04504	0.6
67.05495	0.8
69.03406	1.3
69.07037	1.0
70.06580	2.0
70.86870	1.3
70.87226	0.9
72.08144	1.2
73.02907	0.9
81.03419	0.8
81.07043	0.8
83.06145	0.8
84.04493	3.6
84.08127	1.6
85.02889	1.4
95.04894	0.8
97.02874	1.0
101.07121	2.0
116.98547	0.5
120.08083	2.1
123.04458	0.6
127.03854	0.6
129.10182	0.8
130.06586	0.9
136.07558	0.8
147.04382	1.2
150.05466	0.6
163.03905	0.8
166.08612	1.1
177.03168	0.6
195.07602	0.7
231.11154	0.6
261.13086	11.1
276.13412	1.4
278.15479	0.6
333.18982	0.7
393.85040	0.7
423.18338	100.0
424.18814	3.7
445.62042	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.158
Annotation	Asterelin A
Peak:m/z	Relative Intensity
53.03929	1.9
55.01865	4.4
55.05495	1.8
57.81499	0.8
58.99585	4.7
60.04494	0.9
61.01125	1.2
67.05511	5.3
68.05014	0.9
69.03394	2.2
69.07040	3.2
70.04491	4.0
70.06556	3.1
71.04956	2.5
72.08130	1.9
78.91187	0.7
79.05489	10.0
80.05010	12.6
81.03411	3.8
81.07047	7.8
83.08575	1.4
84.08120	2.2
85.02866	1.1
85.06506	1.2
86.09696	0.8
86.99026	2.2
88.02179	3.0
91.05481	6.6
92.04965	1.7
93.07033	4.9
94.06557	17.9
95.04964	4.8
95.06053	2.7
95.08609	5.4
96.04420	1.1
97.01077	1.5
97.06512	1.4
97.10143	1.5
98.98460	0.8
102.05499	2.2
103.05433	2.1
105.07008	8.6
106.06526	2.5
107.04945	1.0
107.08569	3.9
109.02821	1.4
109.10117	3.4
110.06004	2.2
111.07996	0.9
115.05471	3.7
116.00928	1.2
116.01658	9.1
116.06272	0.7
116.07079	1.4
117.06991	2.9
118.06509	1.9
119.08577	4.2
120.04432	2.6
120.08038	1.0
121.06475	2.4
121.10116	3.6
122.06022	28.1
123.02669	0.8
123.11700	1.0
125.09563	1.0
125.56936	0.8
126.03716	1.3
127.03914	0.8
128.06166	3.1
128.07030	1.4
129.06990	3.9
130.06548	1.5
131.07269	0.8
131.08505	2.3
132.08066	1.6
133.07616	9.7
133.10095	2.2
134.05992	2.5
135.02617	0.9
135.11630	1.1
136.02162	1.0
136.07535	2.9
137.04170	2.4
137.07007	0.8
138.03699	5.9
138.05385	1.1
141.06581	1.9
143.08530	3.4
144.01114	2.0
144.08073	1.3
145.06471	9.6
145.08978	0.9
145.10094	2.9
146.05927	0.9
146.09619	1.2
147.05505	3.7
147.08022	4.0
148.06219	0.9
149.07101	1.0
149.13213	1.0
151.07501	1.0
152.05238	1.0
152.07066	1.5
153.06961	1.4
157.10063	2.2
158.09619	1.4
159.08076	0.8
159.11678	1.8
160.11145	2.1
161.04179	1.4
161.07117	6.5
161.09563	1.4
161.13206	0.8
162.03735	0.9
162.05698	1.4
163.05817	0.7
163.08694	1.2
163.11101	1.0
164.07043	4.7
165.09091	6.5
168.08052	1.7
168.10208	6.2
169.08780	2.0
170.09596	4.6
171.08064	1.0
171.11658	1.0
172.73268	0.7
173.09586	0.9
173.13110	1.0
174.18755	0.7
179.08176	4.0
180.05119	1.4
180.10165	1.1
181.06073	1.6
184.11206	1.1
185.09633	1.3
188.05293	1.2
188.10735	6.6
189.03253	2.5
189.06612	6.7
189.11168	0.8
189.12738	1.3
192.10170	2.4
193.06075	4.0
193.09813	1.0
194.09671	1.6
195.07651	3.5
195.10391	1.0
196.08214	1.8
196.09637	2.5
196.11267	1.8
196.13329	1.1
197.13509	1.3
198.05859	2.7
202.06821	5.4
202.12192	0.8
203.10585	1.4
207.07620	16.2
208.09656	1.0
209.09178	1.6
214.06741	2.2
215.10321	2.4
228.08459	5.7
229.06303	0.9
230.11786	2.1
235.07121	2.6
239.04765	3.4
239.10258	7.5
241.06403	1.6
243.12489	0.8
244.13290	2.2
246.09320	0.8
254.08925	14.6
255.09758	9.3
256.07779	1.1
261.13507	1.6
262.14386	18.9
263.06870	1.0
265.06470	0.8
267.09735	100.0
268.10037	5.3
268.12967	1.2
269.13864	1.8
270.14935	1.7
271.07394	2.1
276.07794	0.9
276.10501	3.2
283.07306	1.1
287.09604	1.2
288.10440	2.2
299.06906	11.2
301.08344	1.8
302.12091	9.3
303.12369	0.9
316.16098	0.8
320.13110	3.6
331.11230	1.6
349.12137	2.9
357.11172	9.2
377.15292	1.6
405.14777	95.2
406.15088	5.9
423.15814	55.6
423.24939	1.6
423.32529	1.8
424.16165	3.4
430.48770	0.7
430.82605	0.9
435.38431	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1429
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19342	1.0
55.05497	1.5
56.96564	2.3
57.03418	1.6
57.07076	1.0
58.99577	7.8
60.04523	1.3
61.02925	2.3
67.05492	8.9
69.03431	5.7
69.07063	19.8
70.06590	4.4
70.07416	1.3
71.04974	1.3
71.73840	1.8
73.02922	1.7
76.02215	2.4
79.05534	1.0
81.03410	3.8
84.04493	2.6
84.08137	20.6
85.02892	14.0
86.09700	1.3
88.03986	1.5
91.05492	1.4
93.07068	1.3
95.04979	4.2
96.04528	1.1
97.02870	6.1
98.97579	5.4
99.02689	3.1
99.04475	1.2
101.04232	50.3
109.02902	1.8
110.06000	1.2
112.07625	2.6
116.07099	1.5
116.98653	2.9
120.08133	4.2
123.04411	1.2
127.02105	5.9
127.03930	3.1
127.05811	2.8
129.03719	3.2
129.10190	7.8
130.06511	1.6
134.99686	1.4
136.07559	1.1
138.05493	1.5
139.39041	1.1
140.07051	8.1
146.63148	1.1
146.99638	1.3
147.04437	3.7
151.50540	1.3
152.07111	1.4
160.07681	1.4
166.08687	1.1
170.06381	4.0
172.04260	100.0
173.04723	1.6
177.00830	1.6
180.04834	1.8
182.08182	3.2
197.07556	2.8
198.05841	5.6
214.05324	8.0
215.08481	6.2
219.01846	1.7
237.02962	3.5
244.06322	8.1
261.09061	15.4
261.11996	2.2
279.07449	2.2
286.07404	2.0
303.10098	2.8
342.10614	1.5
360.10965	1.7
377.13675	8.1
423.14264	56.3
423.23148	2.5
424.14713	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	423.1262
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05029	8.2
56.96553	7.4
57.03432	6.9
58.99567	8.7
61.02915	7.9
63.64054	6.7
68.52242	6.4
69.07050	13.3
70.06583	21.1
71.73899	9.1
72.08151	8.2
76.02235	8.7
81.03433	16.7
84.04501	22.4
84.08131	78.6
85.02885	26.2
96.85663	6.6
97.02882	15.0
97.06511	15.6
98.97570	18.0
109.02877	8.4
110.97556	7.5
116.07070	9.5
120.08117	23.5
123.04392	7.3
127.03925	8.4
128.98604	7.6
129.10210	45.3
136.07567	8.3
145.04903	7.7
147.04405	12.9
151.71927	7.4
167.07166	8.0
169.05031	7.7
172.04272	10.4
177.03171	10.3
237.02777	20.9
261.12512	8.4
279.07471	14.5
423.12350	100.0
423.22916	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	423.0919
Annotation	Isomangiferin
Peak:m/z	Relative Intensity
50.20178	0.6
54.73981	0.5
55.01853	1.9
57.03432	1.3
61.02904	1.0
65.70864	0.6
69.03389	0.9
69.07058	0.9
69.78290	2.5
69.78698	1.6
70.06579	3.2
72.08145	1.6
74.00656	0.7
79.05459	0.7
81.03400	1.1
84.04479	1.8
84.08123	3.8
85.02885	2.9
86.09682	2.4
91.05457	1.0
93.09979	0.5
95.04914	0.6
97.02850	1.1
97.06533	1.7
98.06857	0.8
98.21484	0.7
103.03917	1.3
105.07030	0.6
107.01285	0.9
109.02876	1.1
110.07153	0.6
116.01640	1.1
117.87854	0.6
120.08071	1.5
129.10219	1.5
136.07565	1.5
137.05962	0.7
143.11745	0.6
148.03947	0.8
153.01823	2.7
155.04892	0.9
162.02142	0.8
170.69621	0.6
171.04437	1.2
177.03191	0.7
178.34158	0.6
182.08145	1.0
183.04466	0.9
187.03951	0.7
190.08978	0.7
197.05936	1.6
198.32024	0.5
199.03845	0.8
201.05438	1.3
205.18639	0.6
211.03920	3.8
215.03346	1.0
217.04921	1.2
219.02856	2.3
221.05963	1.8
225.05438	3.6
229.04913	4.0
239.03358	1.2
239.07080	1.0
241.04948	1.0
245.04471	3.5
249.05518	0.9
253.04878	3.2
257.04410	22.8
258.04926	0.9
260.03058	3.9
261.03912	5.0
263.01855	1.9
265.05048	1.0
267.02765	1.7
267.06409	0.6
269.04288	1.1
270.04971	0.6
271.02762	1.0
271.05954	9.8
273.03909	100.0
274.04434	7.6
277.04840	1.0
281.04370	3.5
283.05997	0.8
284.03168	0.9
285.03937	12.2
285.07187	1.0
287.02075	0.9
287.05536	1.4
293.11603	1.4
295.05930	4.3
297.03946	3.5
298.04446	1.1
299.01883	2.5
299.05450	21.6
300.05869	1.0
303.04962	54.6
304.05420	2.0
310.04413	0.8
311.05496	1.6
313.03436	1.2
313.06989	8.5
323.05496	3.9
325.03333	1.0
327.04974	31.5
328.05231	1.6
339.04959	14.9
341.06375	1.3
351.04953	11.4
357.06021	13.3
369.06052	15.3
387.07117	17.5
387.11414	0.6
405.08127	4.1
405.12546	1.1
423.13995	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.0893
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02113	0.5
55.01863	1.0
55.05500	0.7
56.41857	0.5
61.02910	1.5
65.03912	0.8
67.05500	0.9
69.03096	0.8
69.03422	8.7
69.42359	3.3
69.42789	2.3
70.06566	1.6
72.08148	2.8
73.02892	0.6
79.05473	1.2
80.05041	0.6
80.54521	0.5
81.03387	0.6
81.07031	1.3
81.44434	0.5
84.08123	0.8
85.02879	2.4
85.06544	0.5
86.09696	3.2
91.03951	0.9
91.05444	1.7
93.03406	0.5
93.06995	0.9
95.04922	0.9
95.06049	1.0
95.08594	1.0
97.02869	1.3
97.07657	0.6
97.10104	0.7
105.06992	0.9
107.04936	0.9
107.08613	1.0
109.02812	0.7
111.00684	0.8
111.04434	0.7
112.08688	0.6
114.10284	5.5
117.07001	0.7
119.04912	1.0
120.08099	3.0
121.02842	5.8
127.03931	0.8
128.10764	0.5
129.10164	0.7
130.04968	0.6
135.04439	0.9
145.02831	1.0
147.04430	0.5
151.03862	0.7
161.02370	0.7
163.03883	0.9
167.03241	1.8
173.12946	0.8
174.02907	0.8
175.03644	7.2
185.04222	1.8
187.03960	0.6
189.01793	1.5
191.03212	0.7
195.02872	1.3
201.05476	0.5
201.12363	0.6
203.03264	1.3
207.02823	1.1
217.04816	0.6
227.05249	5.1
241.04921	1.0
261.03876	0.8
267.06409	0.8
268.07281	0.8
269.18484	0.6
271.04160	6.3
279.06583	0.7
283.06006	1.0
287.19302	0.9
294.05200	1.8
295.05972	2.0
296.06805	0.8
297.07355	1.1
306.08340	0.6
307.06046	3.7
308.06668	1.5
309.07483	3.5
311.05304	1.0
313.07098	0.8
321.07260	0.9
321.13300	0.8
323.08951	0.6
325.07040	8.6
333.07352	0.9
334.08414	1.1
335.09024	1.6
337.07251	4.2
337.08569	4.4
339.04886	0.8
339.08670	1.7
343.09543	0.6
347.07230	0.9
349.06967	1.0
349.10736	0.8
351.08536	1.5
353.10147	0.7
355.08240	0.8
359.09006	1.3
361.06796	0.8
363.08597	3.3
367.08023	1.4
369.07458	0.8
375.08405	1.1
377.06845	0.7
377.10110	4.1
379.09988	49.8
379.24158	1.9
380.10135	1.7
387.08759	3.6
395.07532	0.8
405.09656	19.7
406.09790	0.9
423.08960	100.0
424.09271	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.0078
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68582	1.1
56.96559	100.0
61.55606	1.2
71.43677	1.2
71.44006	2.2
71.95255	2.9
72.96040	1.3
74.97602	5.3
84.96024	42.7
90.15137	1.1
97.99180	1.9
98.97571	29.9
100.99133	5.4
102.97063	4.5
105.57774	1.1
115.00684	11.4
116.97853	2.2
116.98610	22.2
119.00136	1.7
124.99099	29.9
126.97027	3.1
133.01692	6.4
134.99655	15.4
140.98581	4.5
143.00148	92.4
144.98077	10.2
145.01721	2.6
145.03459	1.4
150.97072	1.7
153.00719	1.5
158.99641	12.5
161.01207	97.9
162.01546	1.4
162.99120	17.0
163.02798	3.9
166.01801	2.6
168.98059	6.8
169.99962	2.1
177.00716	12.1
179.02277	16.3
181.00177	3.6
184.02832	4.1
186.99117	27.1
187.02800	1.1
195.01738	2.6
201.04358	2.6
203.02402	1.5
203.05951	1.9
205.00175	46.8
206.98227	2.0
211.02696	2.2
215.31052	1.3
223.01251	32.4
228.01602	2.1
229.03828	5.6
230.98154	5.0
231.01685	1.6
239.98630	2.9
241.02325	2.7
248.99152	27.9
255.01682	1.7
267.00250	32.7
273.02884	3.4
275.00964	1.5
282.64722	1.2
295.55026	1.1
299.00763	2.5
317.01743	3.5
318.99698	2.3
335.02579	1.4
337.00861	3.4
342.99777	2.3
361.00674	2.2
386.98691	2.3
404.99716	10.2
407.54950	1.2
445.92432	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.0077
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86906	0.8
56.96558	70.7
65.24716	0.8
69.43499	8.7
71.95284	2.0
74.97594	4.5
84.96024	33.4
95.16766	0.7
98.97573	14.3
100.99129	2.6
102.97061	5.1
115.00663	6.0
116.07085	1.7
116.98610	17.9
119.00169	2.4
120.98117	1.2
121.48627	0.8
124.99095	16.8
126.96971	1.0
133.01714	6.3
134.99641	15.2
138.29764	0.8
140.00198	1.0
140.98541	2.7
143.00143	49.0
144.98050	5.4
151.02803	1.3
153.00681	2.9
158.99623	9.5
161.01202	100.0
162.01518	2.2
162.97881	0.6
162.99126	14.5
163.02773	2.7
166.01721	2.4
168.98073	3.7
175.02727	1.1
177.00682	10.4
179.02261	19.5
180.02657	0.8
181.00172	3.6
182.89027	0.8
184.02797	5.1
186.00629	1.0
186.99141	20.9
187.02786	0.9
191.02278	0.8
195.01768	2.0
201.04359	1.8
202.03653	0.9
203.02263	1.6
203.05858	1.1
205.00186	40.2
210.00726	1.1
211.02773	2.1
221.03294	0.9
223.01237	29.4
228.01715	2.3
229.03836	3.6
230.98123	2.2
231.01685	1.2
241.02309	2.6
246.02812	1.1
247.04567	1.1
248.96660	1.3
248.99171	21.1
255.01733	1.8
256.99713	1.0
267.00214	26.9
267.03082	1.4
268.89026	0.8
272.00790	2.4
273.02832	2.8
275.00711	1.4
285.01251	1.0
289.05524	0.9
291.00018	0.9
299.00778	2.1
317.01654	4.6
318.99738	1.5
337.00793	2.8
342.99655	1.7
361.00702	3.5
386.98782	2.3
397.01108	2.2
404.99756	9.4
423.00394	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.1588
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27841	2.5
56.05029	3.0
56.96558	3.3
57.03440	2.9
58.99592	14.2
58.99835	3.0
69.03401	3.8
69.07072	9.8
70.06581	11.5
71.71557	5.1
76.02225	73.2
79.05479	6.7
81.03414	2.9
84.04491	28.1
84.08145	6.5
85.02896	9.3
85.04021	3.1
86.06039	4.1
86.09697	3.6
86.99060	5.1
87.04465	8.6
91.05489	3.9
97.02863	2.8
97.06527	100.0
100.27257	2.8
104.07106	17.9
116.01666	20.8
116.07084	9.7
119.04932	3.7
120.08080	3.0
129.03641	3.2
129.06601	3.2
129.10289	4.0
130.04988	21.7
130.06485	2.9
131.04527	3.0
142.03229	8.5
144.01143	12.7
147.04417	9.1
154.06834	5.5
157.04979	8.1
162.02194	43.5
172.07793	5.9
177.03282	16.6
179.04831	81.7
185.03700	3.2
186.05876	2.6
209.52370	2.4
223.02817	5.0
233.05943	22.5
252.05482	2.7
260.05707	2.8
275.10522	4.0
278.03357	6.1
283.95496	2.8
308.09100	36.8
315.28433	3.0
422.07584	14.0
423.17889	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	422.1589
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	26.3
55.05514	3.1
56.05017	7.1
58.99572	14.9
60.04509	3.0
67.05476	2.2
69.03407	3.8
69.07067	24.2
70.06580	11.4
70.15164	11.2
71.04996	3.4
72.08146	9.4
74.00664	9.2
75.84716	1.6
76.02240	10.6
76.03999	7.8
79.05467	3.4
81.07043	3.3
83.06151	2.4
84.04499	40.9
84.08147	10.4
85.01131	2.2
85.02914	5.5
85.04034	5.2
86.06065	2.3
86.09705	8.7
86.99062	7.2
87.02668	2.9
88.02180	3.3
91.05476	5.5
92.01708	6.0
93.07055	2.4
95.08586	2.5
96.10976	2.0
97.02932	3.6
97.06524	100.0
98.06018	2.5
99.05587	10.0
102.00114	4.0
112.03976	3.8
113.03485	2.4
114.10298	2.3
115.07573	4.9
116.01679	30.5
116.07018	2.6
120.08091	16.6
123.04383	2.3
127.03856	2.0
127.05792	6.6
129.06615	6.7
129.10225	3.1
130.04991	23.6
130.06807	4.0
131.04536	2.7
136.07591	3.3
137.05830	1.8
138.09158	2.9
142.03241	2.7
144.01137	11.1
144.22183	1.9
145.06035	11.0
148.06439	2.6
153.06531	3.2
155.05315	2.3
160.00667	2.5
161.05647	3.1
162.02180	30.6
165.05479	2.0
172.07890	14.7
177.03291	30.0
179.04803	2.7
188.03647	2.0
190.08948	31.0
199.07121	2.7
200.07404	7.5
213.10188	2.9
226.07228	3.1
227.08328	4.3
227.11777	6.9
233.05971	2.2
240.08971	4.2
241.09691	7.2
241.22545	2.5
243.11363	3.5
255.11295	14.6
257.04480	3.4
257.09338	2.8
258.07990	20.7
258.38501	2.4
259.10965	7.5
260.09399	4.2
273.03983	13.1
273.12408	2.6
274.10263	3.6
275.10550	6.3
276.08954	24.2
283.10901	7.9
285.03860	2.5
288.06656	2.9
293.11664	22.7
299.05457	2.3
301.11810	33.3
303.05020	9.0
306.07541	8.0
317.13705	5.5
327.05063	3.4
339.05142	5.5
347.12903	7.7
369.06265	2.4
404.12854	2.5
405.12372	2.3
422.13916	4.6
422.24121	2.9
423.06693	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	422.1055
Annotation	Unknow
Peak:m/z	Relative Intensity
57.82375	1.0
58.90229	1.0
69.66044	6.5
69.66455	2.3
70.06589	10.5
71.18363	1.1
72.08141	3.8
78.15621	1.2
84.04501	3.7
84.06402	1.1
84.08143	10.4
85.07655	1.3
86.09694	3.4
87.05603	1.2
106.07430	1.3
110.07092	2.3
120.08107	4.9
120.81019	1.2
129.10236	4.0
136.07544	1.7
174.05251	10.6
202.04761	3.7
212.38580	1.1
336.10519	17.2
378.11575	63.9
379.12018	3.4
422.10535	100.0
423.10867	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	421.3671
Annotation	3beta,5alpha,6beta-Cholestanetriol
Peak:m/z	Relative Intensity
53.05800	3.6
55.05506	20.5
57.07065	19.0
67.05484	9.5
69.07066	29.8
70.29734	19.4
71.04976	4.0
71.08611	21.0
79.05503	6.2
81.07037	19.8
83.04976	40.0
83.08609	15.3
85.10178	7.9
89.05997	6.4
91.05479	3.7
93.07034	5.8
95.08595	27.2
97.10162	9.6
99.04408	6.0
105.07059	3.9
107.08569	8.4
109.06475	8.9
109.10151	14.4
111.08063	8.9
111.11713	10.0
116.28556	3.9
119.08559	9.0
121.10115	10.5
123.08036	6.4
123.11737	7.9
124.27317	3.6
133.10066	7.4
135.08018	4.8
135.11732	6.1
137.05965	32.6
139.07529	4.1
147.11716	5.0
155.07008	9.2
161.09636	12.1
161.13255	6.0
165.09116	5.2
165.12718	5.2
171.11633	3.9
175.11255	5.7
179.10687	4.2
189.12733	9.2
207.13737	7.7
237.36053	4.2
267.86096	3.8
274.85965	4.2
348.89282	4.3
357.34750	3.8
375.36295	18.2
385.34656	8.8
403.01419	4.1
403.35645	34.3
421.36731	100.0
422.36618	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	421.2944
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16154	6.5
55.05493	36.5
55.05730	7.0
57.07057	15.3
59.04985	10.6
61.75674	6.8
67.05508	85.1
69.07049	34.5
69.76154	7.3
70.06804	31.3
71.04981	7.8
79.05488	56.1
81.07044	98.1
83.08589	26.9
85.06514	8.7
91.05471	99.8
93.07039	72.6
95.04939	10.4
95.08600	64.9
98.21427	16.4
100.48145	7.6
103.05450	10.5
105.07032	100.0
107.08575	33.2
109.06530	15.3
109.10154	21.4
117.07008	51.1
119.08576	89.2
121.06521	13.1
121.10129	19.0
129.06975	26.7
131.08542	59.3
133.10138	46.9
135.08018	12.2
135.11679	11.5
141.06944	12.9
143.08549	29.2
145.10097	48.7
147.07925	12.9
147.11632	16.3
149.09554	12.6
149.13214	10.5
155.08501	13.7
157.10086	18.3
159.11638	31.9
161.09586	9.1
161.13258	8.0
161.99928	8.8
169.10133	18.1
171.11690	18.1
173.13258	18.7
177.43085	8.0
181.09993	10.7
185.13199	12.9
187.14754	11.6
197.13228	14.3
233.15189	10.4
241.34772	8.7
325.24863	11.1
329.20978	13.5
343.26349	17.7
353.24768	47.0
371.25797	56.2
389.26715	87.3
403.23917	7.8
403.28519	52.2
421.29492	17.8
421.34570	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	421.2945
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	2.0
55.01868	6.4
55.05505	16.2
57.03431	10.9
57.07067	12.2
65.03925	1.2
67.05497	25.4
69.03414	2.3
69.07063	28.1
69.40938	2.2
69.41345	11.9
71.04987	4.5
71.08616	3.4
79.05486	20.5
81.07052	35.9
82.07403	1.4
83.04967	4.5
83.08605	8.4
83.61823	1.2
85.06541	8.8
91.05482	11.6
93.06453	1.6
93.07033	31.3
95.04969	4.3
95.08599	28.0
96.02858	1.3
97.06519	14.2
97.10143	3.3
98.21414	2.1
99.08057	1.3
105.07019	9.0
106.07399	1.5
107.04935	1.5
107.08579	23.6
109.06505	21.6
109.10162	10.0
111.04453	7.0
111.08054	5.3
111.11745	1.8
117.06992	2.5
119.08558	10.6
121.06484	3.5
121.10121	12.5
123.08067	13.5
123.11702	4.1
125.05991	6.9
125.09602	2.5
129.06898	1.2
131.08572	5.1
133.06575	1.7
133.10121	8.9
135.08047	21.3
135.11684	17.1
137.05960	18.0
137.09627	4.6
137.13229	1.7
139.07507	1.8
143.08527	1.9
145.10126	6.8
147.11667	5.4
147.51051	1.1
149.09621	4.3
149.13289	4.3
151.07492	9.3
151.11157	2.7
153.12747	4.8
157.10126	2.7
158.24506	1.2
159.11629	3.2
161.09624	4.8
161.13243	3.0
163.11166	4.8
165.09160	2.1
165.12703	7.6
167.14296	3.0
171.11617	2.1
172.95232	1.3
173.13239	1.9
175.11234	2.0
175.14842	1.3
177.12758	6.9
177.16348	1.6
179.14320	5.6
181.12230	9.0
187.14845	2.3
193.12292	3.5
195.13808	2.2
205.15936	1.5
217.14259	1.4
221.19003	6.3
233.18852	1.2
235.20590	6.6
245.78792	1.3
249.18504	3.8
259.20462	1.6
263.20071	3.7
273.10260	1.5
277.21475	1.8
287.23761	2.6
291.19626	1.5
301.24963	2.0
303.19504	1.5
305.21396	3.3
305.24707	80.0
306.25098	3.3
319.26306	27.9
320.26425	1.6
329.24759	6.1
337.27444	2.8
347.25772	100.0
348.26224	5.2
365.26962	11.7
393.29962	5.8
403.28619	4.5
421.24008	3.8
421.29495	46.3
422.29688	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2944
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80275	0.7
53.03936	1.1
55.01864	4.0
55.05506	10.3
57.03434	9.1
57.07068	36.1
59.04992	2.4
65.03928	1.0
67.05496	17.3
67.74342	0.8
69.03442	2.3
69.07065	12.4
70.06578	1.0
71.04984	2.3
71.06671	2.3
71.08607	1.1
79.05491	11.0
81.03427	0.9
81.07045	25.8
83.04979	3.1
83.08608	6.8
85.00325	0.9
85.06535	16.1
85.07035	1.2
88.07655	0.9
91.05461	8.1
93.07036	11.4
95.04964	2.8
95.08595	17.8
97.06533	4.7
97.10182	5.4
103.62795	0.8
105.07027	10.7
107.08578	16.3
109.06507	17.5
109.10149	6.2
111.04459	3.7
111.08085	2.7
111.11671	1.1
117.07034	2.3
119.08579	7.7
121.06443	2.0
121.10139	8.9
123.08054	9.4
123.11710	3.4
125.05994	2.9
125.09624	1.0
129.07082	1.1
131.08522	4.4
133.10114	6.5
135.08046	16.6
135.11658	5.0
137.05959	27.0
137.09622	2.8
137.13257	2.0
139.07533	3.2
143.08516	2.0
145.10133	3.2
147.08083	1.5
147.11653	6.3
149.09593	4.5
149.13290	2.8
151.07561	6.8
151.11127	4.7
153.12764	1.3
155.00993	0.9
157.10126	2.5
159.11745	2.4
161.09650	3.4
161.13281	3.2
162.03197	1.5
163.11090	2.1
163.14824	1.5
165.09174	1.5
165.12730	8.4
169.10085	0.8
169.82272	0.8
171.11743	2.0
173.09579	1.3
173.13287	1.6
175.11174	1.9
175.14830	1.2
177.12695	7.4
179.10722	2.1
179.14320	4.9
181.12396	1.4
184.04434	2.4
185.13393	0.9
187.14967	1.0
189.12798	2.0
191.14331	3.5
193.04988	2.4
193.12300	3.2
195.13808	1.3
199.14777	1.1
203.17972	1.3
205.12279	0.8
206.05733	2.3
207.13776	9.2
213.16539	1.2
231.17357	1.4
233.18996	3.0
249.18578	1.1
263.20029	5.2
277.17978	1.5
291.19943	0.9
291.26782	0.9
301.25195	1.7
305.21475	1.5
305.24969	2.6
306.66171	2.0
307.16553	1.1
319.22769	1.5
319.26303	11.9
320.67847	1.4
321.70050	0.8
329.24707	4.0
337.27371	7.6
347.25775	100.0
348.26147	4.6
365.26834	20.5
366.27155	1.1
385.09412	1.1
393.29990	13.1
403.28650	3.5
421.29520	58.3
421.78488	2.3
422.29428	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2579
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	8.5
55.05508	36.9
57.07056	6.4
59.04989	4.5
65.03938	3.7
65.83767	3.2
67.05504	36.8
69.03419	7.2
69.07072	15.5
70.06578	14.9
71.04989	4.8
71.73125	4.2
79.05492	33.8
81.03415	7.0
81.07047	38.3
83.04969	6.3
83.08620	19.7
85.06532	3.0
86.49741	2.7
88.07626	16.6
91.05467	40.4
93.07026	25.1
95.04973	16.5
95.08588	25.6
97.06493	4.8
97.10167	29.6
102.09158	13.8
103.05446	4.2
105.07005	37.9
107.04931	10.0
107.08562	26.5
109.06500	6.5
109.10162	15.2
109.10826	3.6
117.07012	16.5
117.07717	2.8
119.08556	16.1
121.06443	7.9
121.10146	7.5
122.18552	3.4
123.08070	5.3
125.09617	18.9
128.06224	4.5
129.06996	11.2
131.04915	7.1
131.08548	20.5
133.06480	7.0
133.10103	11.3
135.08014	15.8
135.11617	4.8
141.07037	3.3
142.07822	3.4
143.08534	12.9
145.06479	21.8
145.10127	12.1
147.08069	5.2
147.11688	8.4
149.02325	62.9
149.03435	2.6
149.09593	5.6
153.09094	3.6
155.08525	3.8
157.06496	4.7
157.10101	5.1
159.08017	6.6
159.11668	6.0
161.13251	4.3
169.10081	5.9
171.08041	4.6
171.11717	8.5
173.13095	3.4
185.13188	5.1
187.14868	4.9
189.11208	10.1
193.04948	66.0
197.09563	3.3
197.13269	5.0
213.12759	4.8
215.14194	5.2
233.15321	17.0
256.26334	27.0
273.14896	8.4
294.58841	3.4
329.21249	7.8
339.23132	7.6
349.21454	8.3
357.24088	9.5
367.22586	22.1
375.25049	3.5
385.23676	49.4
402.72015	3.4
403.24768	100.0
404.25110	6.7
421.25220	7.6
421.30087	5.8
421.34573	3.8
422.29123	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	420.3102
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92133	1.2
54.99828	1.4
56.25257	1.2
56.96567	2.0
57.07051	5.7
58.06597	1.9
68.55150	1.4
70.06579	18.9
71.08613	2.0
71.31518	1.2
71.75141	2.5
88.07622	17.6
89.32576	1.3
91.05466	5.7
102.09162	15.1
119.04941	3.0
147.04399	76.6
175.03923	2.0
191.07018	94.7
192.07347	3.1
213.74820	1.3
219.06462	2.4
224.31961	1.2
244.68483	1.3
253.87260	1.4
256.26331	50.2
257.26694	3.0
346.99799	1.6
420.31088	100.0
421.31442	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2579
Annotation	15-oxo spinosyn macrolactone
Peak:m/z	Relative Intensity
53.03930	6.4
55.01863	8.4
55.05511	33.1
57.03427	9.8
57.07063	7.9
61.02918	4.0
65.03937	3.9
67.05498	66.8
69.03435	22.0
69.07064	23.1
70.03715	11.0
71.01363	3.6
71.04990	5.0
73.02911	4.9
73.82495	2.7
79.05483	78.3
81.03404	22.9
81.07048	59.5
83.04983	11.6
83.08617	11.4
85.02914	18.7
85.06530	6.1
91.05474	95.3
91.06045	5.5
93.07036	80.3
95.04948	17.5
95.08594	45.2
97.02897	15.8
97.06533	6.8
97.10168	4.9
99.04438	4.9
103.03948	2.9
103.05457	4.9
105.07022	100.0
107.04945	7.8
107.08585	47.7
109.02853	4.3
109.06518	10.7
109.10151	18.4
111.04416	7.6
115.05433	6.0
116.06215	3.2
117.07001	54.9
119.08567	77.3
121.06516	9.5
121.10144	32.1
123.08065	4.1
123.11707	4.9
127.03883	3.6
128.06210	6.6
129.06998	25.0
130.07765	3.3
131.08554	73.5
133.06458	4.7
133.10117	63.3
135.08084	6.1
135.11705	28.3
139.11243	2.7
141.06976	9.7
142.07750	6.5
143.08540	31.6
145.06416	6.2
145.10115	55.2
147.08055	6.2
147.11667	43.8
149.09616	6.2
149.13237	14.2
151.07573	2.8
153.07031	3.9
155.08542	15.3
156.09387	3.4
157.06453	3.8
157.10091	25.3
158.10699	3.4
159.08061	9.0
159.11678	44.1
161.09637	8.1
161.13235	29.1
163.11227	3.9
163.14830	6.7
167.07111	2.6
167.08586	6.6
168.07846	2.8
168.09357	6.0
169.10083	13.1
171.08046	4.5
171.11681	33.5
173.09621	4.6
173.13235	32.8
175.11200	9.5
175.14795	13.1
179.08632	3.8
181.10123	8.6
183.11662	15.2
185.09619	7.0
185.13219	24.0
187.11169	4.4
187.14781	9.5
189.12669	6.5
189.16304	3.3
195.11670	3.9
197.09668	4.0
197.13257	8.1
199.14832	14.0
201.12740	6.0
201.56136	2.5
203.10590	3.2
207.11711	3.8
208.41437	2.9
209.13251	4.0
211.14751	6.2
213.12651	3.3
213.16359	6.3
213.60587	2.5
215.14255	3.1
223.10927	3.2
223.14835	4.0
225.12761	5.2
229.15866	3.6
229.19586	4.5
231.17465	3.6
231.21042	5.0
237.12462	2.8
239.17949	4.7
241.19485	16.6
253.19424	5.8
253.46176	3.0
257.18964	20.4
259.20563	42.5
271.20572	11.2
273.22119	7.6
275.20114	11.4
277.21613	5.5
283.20557	6.9
287.20020	5.5
289.21786	6.5
299.20041	5.3
301.21613	32.6
311.20236	3.1
313.21637	9.3
315.23233	3.9
319.22681	6.0
321.22180	3.9
329.20993	3.1
339.23019	8.3
343.22589	5.2
349.21671	9.4
357.24295	7.8
367.22586	39.3
383.14914	2.8
385.23734	45.7
403.24777	56.9
404.24670	6.2
421.25803	68.5
422.26404	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	420.2379
Annotation	U 62162
Peak:m/z	Relative Intensity
51.26987	0.5
53.03933	0.6
55.01857	0.7
55.05511	2.5
57.03439	2.9
57.07051	0.8
59.04980	2.2
59.05481	0.4
66.33487	0.5
67.05492	2.6
69.03403	0.8
69.07047	1.7
69.79188	0.5
70.06584	1.2
70.59722	0.5
71.01345	0.5
71.73247	0.6
71.73717	0.6
72.08151	0.7
79.05465	2.1
81.03401	1.2
81.07047	3.6
83.08601	1.0
84.04482	0.8
84.08138	0.9
85.02895	29.3
89.06006	1.9
91.05457	3.2
93.07016	2.2
95.01318	0.6
95.04948	1.5
95.08573	2.1
97.02857	0.6
97.06511	0.8
99.08080	0.7
100.11237	0.6
106.06544	6.6
107.04910	1.1
107.07320	1.0
107.08550	1.3
109.06528	0.7
109.10160	1.3
113.02343	2.3
117.05750	1.8
117.07012	0.6
118.06533	9.0
119.08549	1.5
120.08091	1.3
121.06464	0.6
121.10087	0.9
123.04366	0.6
127.03810	0.5
129.06992	0.7
130.06520	1.1
131.03404	0.9
131.07314	7.1
131.08365	0.7
132.08078	4.6
133.08710	1.3
133.10130	1.1
134.09628	2.1
137.05916	1.5
143.08543	0.7
144.08064	1.2
145.08838	1.0
145.10020	0.8
146.09624	8.3
147.08014	0.6
148.11098	0.8
151.07559	0.5
157.06392	0.6
158.09656	0.8
159.10362	0.6
159.11673	1.0
160.11203	9.8
161.09671	0.6
161.11923	0.8
165.09026	1.0
172.11179	2.3
174.12730	1.2
177.11206	0.7
181.04848	0.6
186.12689	0.5
188.14232	0.6
223.13217	0.6
223.39819	0.5
229.05991	2.1
241.14317	1.2
244.20595	10.9
245.20979	0.7
248.09081	0.9
257.05612	1.1
272.20059	53.6
273.20407	2.9
276.12357	2.4
290.21088	11.6
311.86960	0.5
316.22623	2.4
329.21039	1.0
330.20624	1.5
342.20398	2.3
360.21625	1.1
374.11057	0.9
374.23035	1.1
384.21692	3.4
402.22702	43.8
403.22949	3.4
420.23734	100.0
421.19119	0.8
421.24170	8.6
424.22012	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.2222
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.3
55.05503	1.1
57.07081	1.1
61.02900	0.6
67.05499	4.0
69.03415	2.4
69.07051	4.2
71.03992	1.0
73.02905	0.9
79.05480	7.6
81.03413	2.2
81.07045	100.0
82.07368	1.0
85.02896	7.4
87.00836	3.4
93.07095	0.7
95.08595	18.1
97.02888	5.5
99.04467	0.8
105.01852	5.4
108.97533	0.5
109.02881	1.7
109.10152	1.0
127.03919	7.4
137.05991	1.8
137.13239	21.5
145.04945	5.1
154.15981	0.5
159.02853	1.1
231.05031	2.3
249.06079	1.1
281.33682	0.5
325.16006	0.5
361.82809	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.2222
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07317	1.4
53.03940	5.8
55.01857	7.7
57.03434	5.0
61.02912	6.3
67.05492	5.2
67.36105	1.4
68.99785	2.1
69.03417	38.7
69.07046	4.8
69.57837	2.7
69.58247	9.2
70.06585	2.1
71.04978	4.4
73.02899	6.6
79.05498	3.5
81.03410	28.6
81.07046	32.3
84.04480	2.7
84.08126	6.2
85.02892	100.0
85.35249	1.3
87.00816	38.6
90.21358	1.5
91.01135	1.6
91.03930	1.7
91.05462	2.3
93.07041	2.6
95.08589	16.3
97.02876	31.5
99.04437	13.1
101.02416	1.7
101.92931	1.8
105.01851	49.8
107.08592	4.2
108.04446	2.1
109.02866	28.3
109.10157	5.8
111.11715	4.2
121.10151	2.1
127.03893	65.6
129.01831	2.8
129.10216	5.3
135.11682	10.5
137.05952	4.7
137.13232	28.4
145.04938	30.2
147.02812	2.7
149.13225	2.1
153.12744	2.7
155.14264	10.1
159.02856	14.0
178.13339	1.5
189.03937	3.9
201.12788	1.6
213.03893	3.5
231.04964	18.1
245.15376	3.1
248.07657	2.0
249.05986	2.7
263.16400	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	420.1863
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	6.1
57.03430	4.3
60.04513	3.5
62.36465	2.5
63.00790	2.4
64.02252	2.1
65.57418	2.5
69.03419	4.8
70.06581	12.0
71.04988	2.8
71.24129	6.8
72.08147	7.7
79.05471	6.8
81.03402	41.4
83.04968	3.1
84.04510	3.5
84.08121	10.4
85.02880	9.4
86.09703	7.1
87.00824	4.4
90.94753	2.4
91.05470	21.7
93.07020	9.4
95.04924	4.6
97.02858	4.6
98.20963	3.9
99.04439	5.9
105.01878	3.1
105.07011	5.9
107.04938	7.0
107.08582	9.4
109.02863	32.6
109.24743	3.0
110.07157	4.3
112.08682	2.5
115.05408	2.6
117.07008	100.0
118.07394	2.5
119.08540	13.0
121.06504	8.6
121.10123	2.6
123.04417	8.8
127.03870	5.5
129.10211	4.8
131.08583	20.0
133.06494	2.7
135.08063	24.4
137.05946	7.2
145.06459	3.8
147.04413	3.5
149.09618	12.0
155.07047	7.1
157.21687	2.6
159.08060	16.4
163.07550	30.1
166.39813	2.4
176.47235	2.5
177.09105	48.2
179.10646	4.7
181.08623	3.6
187.07478	7.7
195.10132	21.0
205.08582	36.9
206.08852	3.2
223.09676	28.8
241.10677	26.5
327.10388	2.7
343.83304	2.6
349.12860	3.3
367.13864	41.3
385.14893	41.2
386.15540	3.3
420.16367	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	420.1859
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	1.6
57.03431	17.2
61.02919	6.3
63.33463	0.7
65.03927	0.9
67.57069	0.7
69.03425	19.3
69.07051	0.8
70.06588	8.7
70.34319	1.8
70.34716	1.5
71.01341	1.7
71.57819	0.7
72.08139	3.2
73.02909	43.6
73.73550	0.7
74.06038	0.7
75.30142	0.7
81.03396	2.5
83.06085	1.3
84.04492	2.2
84.08127	3.5
85.02897	33.3
86.09705	5.3
87.04470	1.4
91.05471	100.0
92.05822	1.8
93.07079	1.0
96.04440	1.0
97.02884	46.9
98.03222	1.5
99.04448	1.1
105.07013	1.9
106.11441	0.7
107.04876	1.0
109.02873	2.2
110.07174	3.3
115.03923	30.1
115.08670	0.8
116.07050	1.0
117.07021	2.2
119.04960	2.3
120.08111	2.9
121.06488	0.8
127.03897	11.8
129.06978	1.2
129.10236	2.2
130.06528	0.9
133.04950	7.1
133.06488	3.0
137.05981	2.3
143.08527	1.4
144.06599	1.1
145.04951	13.8
145.06497	2.9
146.06042	1.2
147.04329	0.9
151.07564	0.8
157.06435	1.5
159.07956	1.2
161.04443	3.5
162.19409	0.8
163.06010	4.4
171.08046	1.0
175.07513	1.1
187.07649	1.0
199.07608	1.0
205.08659	1.2
217.08612	4.4
223.06076	3.3
235.09676	3.1
241.07094	4.4
253.10722	3.1
259.08160	4.2
274.43365	0.8
295.10123	4.3
342.44733	1.0
378.81714	0.8
438.51758	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.1498
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	10.2
55.01861	11.6
57.03416	9.9
60.04509	3.7
61.02906	6.6
61.08608	1.8
67.05485	1.6
68.99783	4.3
69.03424	39.9
69.07060	2.7
70.06583	29.3
71.04977	4.7
71.21780	2.9
71.22103	2.7
72.08141	11.4
73.02900	13.7
74.06022	1.9
79.05466	2.0
81.03409	32.3
84.04502	4.6
84.08127	14.0
85.02895	100.0
86.09679	6.0
87.00323	2.6
87.00820	33.4
87.10045	2.0
88.03983	2.5
90.44585	1.7
91.03955	3.4
91.05472	3.9
95.04921	1.7
95.59276	1.6
97.02882	45.1
99.04446	13.7
103.03951	3.0
105.01846	35.5
108.04470	5.1
109.02869	30.2
110.07153	7.3
117.01830	5.4
120.08080	5.2
123.04412	28.8
126.05503	4.4
127.03896	66.7
129.01805	4.4
129.10213	7.0
136.06151	2.6
136.07530	2.4
137.05959	14.5
137.74564	2.2
145.04935	30.5
147.02867	4.5
147.04359	6.5
155.07016	34.3
159.02866	22.8
159.09196	2.2
161.05885	1.9
162.22986	1.8
165.05487	4.9
171.11348	1.9
179.07004	13.0
189.03922	7.2
189.05469	2.7
191.06976	3.6
197.08118	3.5
213.03749	2.8
221.08080	7.3
231.04935	13.7
245.08133	4.4
248.07506	2.0
259.91574	1.9
263.09152	5.7
289.02206	2.0
299.03607	2.5
344.45514	1.8
420.08990	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	420.1496
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.8
55.01856	3.9
57.03429	3.4
60.04498	1.0
61.02914	3.5
61.45505	0.8
67.05505	1.0
68.99784	1.2
69.03421	13.4
69.58385	6.0
70.06589	6.7
71.04979	1.5
72.08139	2.4
73.02904	3.1
81.03407	9.5
82.03722	0.9
84.04490	1.7
84.08137	3.1
85.02898	36.8
86.09695	4.3
87.00824	14.0
87.09996	0.8
87.31992	0.9
91.05479	5.3
92.53519	0.8
94.69176	0.9
95.04958	10.2
97.02886	14.4
98.21429	1.2
99.04423	5.6
103.03934	1.8
105.01859	13.6
105.07021	0.9
108.04494	1.5
109.02861	12.2
109.06480	1.2
110.07130	1.7
115.03973	1.1
115.08703	1.1
117.01824	1.3
119.04916	3.8
120.08161	1.6
123.04413	42.1
124.05202	11.3
125.06036	1.0
127.03909	23.0
127.04849	1.5
127.86380	0.8
129.01839	1.8
129.10213	1.8
130.06572	0.9
136.05209	0.8
137.05986	3.5
140.04671	2.1
145.04953	10.7
147.02946	2.1
147.04405	1.5
151.07538	4.9
153.05452	1.1
155.07011	100.0
156.07436	1.6
159.02856	6.9
161.06000	1.4
162.06746	1.5
165.05487	0.9
173.12804	1.0
179.07005	13.9
189.03903	4.7
191.06978	1.8
193.08650	1.2
197.08049	3.8
206.05713	3.5
213.03938	1.2
217.08664	1.5
221.08084	7.5
231.04974	3.8
244.09511	1.3
245.08127	6.2
263.09149	9.9
273.12506	0.8
279.17682	0.8
367.10144	0.9
403.07864	1.2
420.07913	1.3
421.09204	2.3
421.36124	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.1262
Annotation	Unknow
Peak:m/z	Relative Intensity
66.19793	1.1
70.46576	4.0
72.72016	0.9
79.12278	1.0
85.02887	1.9
98.21413	1.8
98.97556	3.1
107.27958	1.2
127.03854	1.2
136.93991	3.5
138.93829	1.6
165.00760	1.3
174.88654	13.8
219.01709	2.3
237.02794	2.3
281.06992	1.6
315.03070	1.5
315.71982	1.5
321.08780	2.5
420.12543	100.0
420.99594	18.3
421.12949	9.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.1431
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	3.3
55.01866	6.4
56.05022	2.4
57.98790	1.2
58.64036	1.1
58.99580	17.2
70.06574	2.2
71.04987	11.0
71.31770	2.9
72.08142	1.3
74.00660	12.8
75.45325	1.0
76.02221	85.4
76.03990	5.0
81.03402	20.2
83.06111	3.0
84.04498	43.3
84.08120	1.3
85.04023	14.4
85.06526	2.0
86.09699	2.1
86.99034	3.8
87.26157	1.2
88.02204	2.5
92.01707	5.5
96.04482	1.3
97.01109	13.1
101.07140	2.4
102.05529	1.5
107.06294	1.2
110.07176	1.3
111.02668	2.5
111.04421	4.1
112.03979	3.0
113.00606	1.7
113.03466	4.2
113.04261	1.3
113.05997	32.9
116.01661	23.9
117.83612	1.1
129.06586	2.9
129.10173	1.4
130.04988	23.1
131.04501	13.1
138.03734	1.2
139.02129	8.4
142.03209	3.5
144.01128	13.1
145.06096	3.7
155.08208	1.5
156.04797	7.6
160.00642	20.8
162.02184	53.3
170.02690	2.0
171.04770	3.6
177.01712	2.5
177.03282	69.8
179.04837	100.0
185.03818	2.5
187.05414	1.2
188.07394	16.7
216.07892	1.2
231.04321	4.6
233.05901	11.1
242.04799	16.3
245.05910	4.3
259.07480	15.7
274.07440	3.9
288.06516	1.4
291.06754	1.8
291.09933	12.1
306.07397	1.7
308.09161	6.8
313.08505	3.7
345.11066	15.0
357.10822	1.9
392.76138	1.2
403.11639	1.7
420.14624	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	420.0684
Annotation	Unknow
Peak:m/z	Relative Intensity
69.33379	12.9
76.04546	11.5
76.69320	13.1
116.04982	11.9
144.51932	13.0
177.14436	12.7
188.87524	11.2
237.02850	15.2
241.49155	13.7
386.65503	12.6
420.06998	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.0685
Annotation	Unknow
Peak:m/z	Relative Intensity
56.15048	4.9
62.60989	4.8
70.06577	22.3
70.21603	16.6
70.22012	11.1
72.08166	6.9
81.03407	5.4
84.04494	16.2
84.08164	8.3
86.04810	7.3
86.09702	81.7
86.23208	6.2
91.05475	6.7
98.21322	7.1
102.05515	5.8
120.08119	6.1
130.05034	5.9
148.06012	10.3
161.02245	6.5
165.01822	6.5
229.77203	5.9
255.11639	6.2
273.12637	15.6
284.06277	6.9
299.05441	17.9
300.05798	61.0
312.05881	12.5
314.07401	12.4
320.33795	5.7
326.07303	23.9
329.06604	11.0
330.06805	42.5
338.07318	31.4
342.06662	8.4
354.06851	42.7
366.06900	34.7
384.07849	100.0
402.08887	10.8
420.06674	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	419.3515
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01850	0.8
71.08607	0.9
79.64005	0.6
98.20674	1.5
99.04429	4.2
111.04431	4.4
116.75790	0.7
125.05975	10.9
141.05429	3.7
153.05447	100.0
167.07092	0.7
217.55099	0.7
354.59882	0.8
419.35172	28.7
420.35526	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.008
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02353	1.2
52.27546	1.2
53.03943	37.3
56.96557	2.1
57.38806	1.3
58.99857	5.1
69.72931	7.6
69.73344	1.9
70.06577	3.7
70.95872	1.6
72.08144	3.1
72.93774	1.9
73.02904	1.4
74.06059	2.5
77.00893	4.8
80.05005	4.6
81.03410	54.4
84.04494	2.5
84.08129	6.5
85.02898	1.4
86.09725	9.3
90.94819	2.3
95.38960	1.4
96.07208	1.2
98.20637	1.3
98.97525	1.4
103.02453	7.0
108.04449	1.7
110.07169	2.0
112.37069	1.3
117.03992	30.9
119.01908	18.5
121.03474	4.0
123.04447	2.0
127.02421	2.7
129.10210	2.8
129.98201	1.8
132.10213	3.8
135.05025	39.1
136.07532	2.2
137.02911	6.9
142.08597	2.2
143.01872	5.8
144.99852	1.9
145.03455	31.1
147.01360	6.4
148.98917	1.4
149.02336	2.1
149.97263	2.5
152.07037	3.7
157.03442	17.9
160.04591	1.3
161.02957	20.6
163.04495	20.1
163.05740	2.3
165.02451	3.9
165.05441	2.1
170.08092	3.0
171.01410	4.2
174.97589	3.1
175.04485	13.7
175.98750	2.5
179.03952	3.2
182.08055	1.5
183.05022	2.1
184.00516	1.7
184.04636	2.4
187.00842	3.4
189.02437	33.2
196.99583	2.1
197.06595	13.3
199.04404	2.9
205.01979	2.2
207.03473	17.2
207.05144	3.9
208.87418	1.6
212.03935	3.2
215.00458	3.3
215.07692	4.6
223.04593	2.4
225.06062	14.9
226.97131	2.1
227.03979	1.7
233.01407	12.5
240.08813	2.5
240.98570	4.6
241.05681	3.1
243.07179	5.5
245.05197	1.9
248.07501	1.6
251.02417	47.2
251.04800	2.4
266.96591	14.8
269.05206	7.2
270.96045	2.5
274.04010	2.3
289.98166	1.7
312.93417	2.7
312.97067	57.6
313.03989	27.5
313.97092	2.2
330.98163	100.0
331.04749	22.9
331.98138	2.9
340.04581	1.7
348.99487	2.0
353.99823	10.8
354.06622	2.2
392.99890	8.4
411.00717	4.7
420.19971	2.0
431.66620	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2539
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45522	0.4
55.01853	0.7
55.05487	0.6
56.05024	1.1
57.03403	1.7
67.05482	0.9
69.03395	0.6
69.07021	0.6
69.74266	3.6
70.06570	1.1
74.83645	0.5
79.05464	1.2
81.07048	1.0
84.04012	0.7
84.04501	12.4
85.02899	24.3
86.06039	1.9
87.04446	1.5
91.05468	0.6
93.06995	0.9
95.01298	1.6
95.08592	1.1
98.34779	0.5
102.04897	0.6
102.05535	10.1
103.05469	0.9
105.06980	1.3
106.06545	5.6
107.07335	0.7
109.02841	0.6
112.03947	1.7
113.02341	2.2
117.05752	1.3
118.06524	9.6
119.08553	0.8
130.04993	56.7
130.06361	2.4
131.04825	0.9
131.07286	8.0
132.08104	3.8
133.06343	0.5
133.08841	0.8
134.09641	2.4
144.08029	0.9
146.08577	0.9
146.09641	9.0
147.11739	0.5
148.11136	0.7
153.01788	2.1
158.09592	1.2
160.11212	11.8
161.06009	0.5
162.12817	0.7
167.06990	2.3
168.07367	1.1
172.11177	1.9
173.11946	0.9
174.12749	2.6
176.14418	0.5
181.04956	0.8
182.05347	0.6
186.12761	0.8
190.94200	0.6
238.53702	0.7
244.20587	13.1
245.20857	0.5
257.08084	3.9
272.20078	100.0
273.20459	5.0
274.01221	0.6
275.43890	0.5
290.21127	86.3
291.21509	3.9
316.22772	2.0
330.20538	1.0
341.94849	0.6
378.93030	0.6
384.21683	0.6
401.24252	4.0
402.22690	10.7
419.25378	83.1
420.25760	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	419.2386
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57893	2.7
53.03939	3.2
55.05510	9.1
61.41944	2.3
65.41111	2.5
67.05499	46.9
69.03426	12.0
69.07060	15.1
70.06587	5.5
70.09135	12.0
71.04969	5.1
72.04502	6.0
78.24115	2.6
79.05495	34.1
81.03414	26.5
81.06599	4.9
81.07050	76.1
83.04974	4.8
83.08606	14.9
84.08126	4.7
85.02912	15.4
85.06554	4.5
91.05472	22.0
93.07027	61.6
95.04963	5.4
95.08615	16.0
97.02872	9.3
97.06518	7.9
99.04432	5.9
100.11244	3.2
105.07013	5.3
107.08582	36.2
108.08959	2.9
109.02866	14.7
109.10095	3.2
111.08057	8.6
117.07010	9.5
120.08116	3.9
121.10162	13.0
123.11709	21.2
126.05534	2.9
127.03912	15.9
131.08530	10.0
133.10104	17.7
135.11658	12.8
147.11577	3.1
149.02307	3.7
149.13237	41.7
151.03874	3.7
151.11182	3.3
159.11676	27.7
166.03575	2.7
176.14366	4.5
177.12753	15.4
186.12775	6.2
195.13779	57.5
204.13809	12.3
213.14838	11.3
222.14825	17.0
240.15932	100.0
241.16238	5.3
246.14948	5.5
264.15985	3.1
276.52713	2.8
339.17953	3.9
348.18048	9.1
366.19092	37.5
384.20105	44.5
385.20477	3.1
419.14737	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	419.2423
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	17.2
55.01872	23.6
55.05508	35.8
57.03426	8.3
57.07057	3.9
57.65691	1.8
59.04995	1.8
60.24440	1.8
65.03931	4.3
67.05499	59.8
68.05834	2.4
69.03420	31.2
69.07064	30.2
71.01344	6.7
71.04980	10.6
71.46550	3.2
73.02893	4.1
79.05484	63.2
79.05932	3.6
80.05825	2.4
81.03411	54.6
81.07048	100.0
82.07387	2.3
83.01341	2.0
83.04972	18.6
83.08604	16.3
85.02892	14.2
85.06526	3.3
91.05471	65.3
93.07039	50.3
95.04962	22.2
95.08591	43.0
97.02864	15.6
97.06518	13.0
97.10149	5.1
99.04440	12.2
99.08075	4.4
103.05451	5.6
105.07018	67.6
107.04932	20.3
107.08579	30.3
109.02879	19.6
109.06513	36.3
109.10146	16.6
111.04447	6.7
111.08095	4.5
115.05452	6.1
116.06246	2.8
117.07018	27.9
119.04898	4.2
119.08568	42.2
121.06499	15.9
121.10146	19.2
123.04419	5.4
123.08038	10.2
123.11716	6.1
125.09613	5.2
127.03905	29.2
128.06213	5.7
129.06990	15.9
131.04950	5.4
131.08559	29.3
133.06454	13.6
133.10107	30.7
135.04369	3.1
135.08041	15.7
135.11665	6.5
137.05934	3.2
137.09573	9.5
137.13275	2.5
139.03952	2.6
141.07014	4.9
142.07765	3.0
143.08553	15.8
145.06483	14.3
145.10126	26.9
147.04442	3.3
147.08026	10.5
147.09839	1.9
147.11684	16.0
149.05977	4.4
149.09624	14.5
149.13251	8.2
151.07504	3.8
151.11185	6.1
153.07022	3.7
155.08577	6.9
157.06483	5.5
157.10110	13.3
159.08035	10.5
159.11708	19.9
161.05989	4.3
161.09566	11.6
161.13284	5.2
163.03902	2.3
163.07529	4.4
163.11177	8.2
163.14740	3.1
165.12773	4.8
167.08553	3.3
169.10138	7.5
171.08023	5.1
171.11671	9.6
173.06062	2.7
173.09595	12.8
173.13225	11.3
175.11189	7.2
175.14746	2.6
177.09160	2.7
177.12787	5.6
179.10663	2.4
181.10072	3.3
183.11697	8.1
185.05902	2.2
185.09656	4.1
185.13220	5.0
187.11159	8.9
187.14885	3.9
189.09186	2.7
189.12750	3.3
193.12289	2.9
195.11717	4.2
197.13229	4.9
199.11070	4.6
201.09160	2.7
201.12767	5.1
203.10583	2.7
205.12192	2.6
209.13278	2.8
211.11163	3.1
211.14864	3.5
213.12726	3.4
215.14307	2.2
215.17908	2.6
225.09076	2.0
229.12306	2.9
229.19458	4.6
239.18005	7.3
247.20572	7.4
253.00836	2.0
257.19009	8.5
271.20599	3.2
273.18488	3.1
275.20056	58.7
275.23038	3.1
276.20416	3.0
281.18799	2.1
287.16379	2.2
293.21280	2.2
299.20023	11.1
317.21213	6.0
319.20358	2.4
329.21146	2.9
341.21249	3.3
355.22754	3.6
359.22061	8.5
363.14584	2.7
365.21109	5.5
373.23721	2.8
383.22006	10.1
391.24869	2.5
401.18805	3.1
401.23517	11.9
419.24283	69.5
419.33017	2.6
420.24719	5.0
441.70248	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2385
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.8
55.05513	7.1
57.03439	1.6
57.07063	2.3
67.05133	2.3
67.05497	39.7
69.03424	11.8
69.07066	12.4
70.06568	2.7
70.18412	6.6
71.04972	4.7
71.08622	2.1
72.04519	8.3
79.05487	27.3
81.02936	2.0
81.03413	43.9
81.07048	57.5
82.06609	1.4
83.04966	4.3
83.08619	10.5
85.02885	8.6
85.06521	3.7
91.05467	13.5
93.07031	48.0
94.07381	2.3
95.04967	4.4
95.08597	10.4
97.02864	9.4
97.06538	4.7
99.04446	5.4
99.08110	2.6
103.05500	1.4
105.07034	6.4
107.04927	1.6
107.08582	38.4
108.04478	4.1
108.08927	4.4
109.02861	18.9
109.06499	2.7
109.10146	2.1
111.08060	2.9
117.07020	7.9
119.08553	2.3
121.06470	1.9
121.10131	17.3
123.11710	15.8
126.05465	2.2
127.03907	14.2
131.05009	2.0
131.08554	9.4
133.10118	15.1
135.11674	10.2
136.12062	2.3
145.04912	2.6
145.10100	1.6
149.13245	42.4
151.03815	1.6
159.11676	20.7
167.07034	2.6
169.58339	1.3
176.14383	2.3
177.12712	10.1
181.04967	2.2
186.12764	3.8
187.11163	2.3
195.13783	51.4
196.14134	2.7
204.13857	12.2
213.14859	8.1
222.14891	20.3
223.15135	1.7
240.15927	100.0
241.16278	3.6
339.18082	5.4
348.18024	6.2
366.19070	43.4
367.19452	3.2
370.93176	1.3
384.20117	23.8
385.20172	1.7
419.14722	4.2
441.83685	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2037
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	1.5
67.05498	2.2
69.03398	0.8
69.07051	1.3
69.93877	3.2
70.06600	1.0
77.00916	0.9
79.05470	2.3
81.03394	1.9
81.07048	2.7
84.08157	0.9
91.05457	1.8
93.07040	1.7
95.04987	1.2
95.08585	1.5
105.07009	2.1
107.08567	1.1
109.02842	0.9
109.10142	1.1
117.07020	0.8
119.08577	1.8
121.06490	0.8
127.03924	1.3
131.08568	1.0
133.10144	1.2
145.10127	0.9
147.04422	1.1
149.02286	0.9
159.11633	0.8
169.84315	0.7
175.03954	1.5
185.06551	1.2
219.06506	2.0
243.02449	0.8
243.14369	3.4
315.19278	8.5
331.22299	1.5
333.20322	13.6
351.20068	8.0
365.39288	0.8
369.64673	0.9
374.21747	1.2
375.21371	63.0
376.21783	4.9
389.08716	1.0
419.20343	100.0
420.20691	7.4
420.26782	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1447
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	0.7
55.01841	0.8
57.03398	1.3
57.77093	0.3
61.02924	1.9
69.03422	6.0
69.07047	0.4
69.61020	2.9
71.04951	0.6
73.02865	1.0
81.03413	2.1
81.07028	0.7
83.01314	0.7
85.02898	8.5
87.04422	0.7
91.13583	0.4
95.04942	0.4
97.02899	2.8
99.04443	0.6
103.71687	0.3
109.02827	1.3
117.06940	0.6
119.08538	0.6
119.31305	0.4
121.10154	0.4
127.03845	1.1
132.28540	0.4
140.58354	0.4
142.06464	0.5
145.04900	0.5
154.06572	2.1
155.05980	1.6
167.07039	0.9
168.07173	0.6
169.07599	31.4
170.05986	1.5
170.07953	0.7
171.11826	0.4
179.06017	1.3
180.06770	0.8
181.04967	0.8
181.07562	0.5
197.07077	30.0
198.07507	0.8
215.08136	68.8
216.08495	2.2
225.06487	0.5
239.08167	4.1
242.01546	0.4
243.07632	73.5
244.07957	2.8
247.51476	0.3
247.62102	0.4
255.06514	2.2
256.06757	3.2
257.07193	4.7
257.09207	100.0
258.09564	3.1
261.15952	0.4
327.37711	0.4
360.53928	0.5
387.12131	0.4
389.04938	0.4
419.14413	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	419.1333
Annotation	Pinocembrin 5-O-glucoside
Peak:m/z	Relative Intensity
51.27684	0.3
53.03933	0.5
55.01857	0.9
55.05494	0.6
57.03426	0.7
60.96143	0.3
61.02908	0.3
67.01847	1.2
67.05494	0.7
68.99796	0.8
69.03415	1.2
69.07051	0.3
70.06582	0.5
71.04966	0.4
71.75218	0.3
72.08138	0.4
73.02898	0.3
79.05483	1.9
81.03409	1.4
81.07034	0.8
83.08632	0.4
84.04488	2.4
84.08138	0.4
85.02893	5.8
86.09691	0.4
91.05464	2.7
93.07017	0.7
95.04961	1.2
95.08589	0.8
97.02872	1.3
97.06522	0.4
99.04450	0.4
102.05531	1.1
103.05456	10.5
105.03422	0.4
105.07004	1.2
107.04965	1.8
107.08587	0.7
109.02857	0.6
109.10161	0.5
112.03937	0.4
117.05733	0.3
117.06999	0.5
118.06548	2.8
119.08548	0.8
121.02826	0.7
121.10125	0.5
123.04399	1.1
125.02377	0.4
127.03879	0.8
130.04987	9.1
130.06462	0.6
131.04913	27.9
131.08589	0.4
132.05261	0.7
132.08066	1.2
133.08812	0.4
133.10083	0.5
135.08049	0.4
137.05974	0.6
141.06993	0.4
145.04984	0.4
145.06485	0.6
146.09625	1.1
147.08041	0.3
147.11713	0.4
149.09630	0.4
151.03897	2.1
153.01808	52.7
154.02176	0.9
159.08093	0.3
160.11122	0.5
161.05916	0.5
163.03917	0.4
165.01849	2.1
167.07024	2.3
168.07352	0.6
169.07565	0.7
171.02892	3.2
173.05984	1.6
175.03922	0.3
177.01796	0.6
177.05464	0.5
179.03383	1.4
181.04945	1.2
181.08522	0.3
182.05231	0.4
183.02858	1.8
183.05345	0.3
191.03404	1.5
191.06987	1.0
192.07349	0.3
195.02869	4.6
209.08064	0.4
215.03366	0.3
215.06979	1.1
219.02878	1.1
231.02884	1.1
239.07076	0.5
243.02936	0.5
244.20439	0.5
248.12990	0.3
257.08057	100.0
258.08401	3.4
261.03894	0.9
269.08078	3.2
272.20062	9.6
281.08002	0.9
290.21118	19.6
299.05829	0.4
299.09076	2.2
323.09125	2.5
329.06351	0.4
335.09030	1.1
352.12607	0.4
353.10074	1.3
359.12009	0.4
365.10208	0.8
383.11713	0.6
389.15286	0.5
402.22653	1.3
419.25314	13.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1333
Annotation	Natsudaidain
Peak:m/z	Relative Intensity
53.03883	0.5
55.01803	0.6
55.05457	0.7
61.48687	0.4
67.05425	1.6
69.03346	1.4
69.06981	1.3
70.38157	1.4
71.04945	0.6
71.08531	0.4
79.05395	1.3
81.03326	2.8
81.06963	1.9
82.86904	0.4
83.49384	0.3
91.05481	2.1
93.06941	1.1
95.04864	0.6
95.08510	1.4
97.02829	0.4
97.06493	0.9
99.04352	0.5
100.47528	0.4
105.07035	1.9
107.04895	0.9
107.08497	0.6
108.79939	0.4
109.02790	0.9
109.06441	0.6
117.06919	0.7
119.08463	1.3
121.02801	0.4
121.10039	0.9
127.03795	1.5
129.06949	0.5
131.08493	1.0
133.06354	0.4
133.10071	0.8
137.05898	0.6
138.06693	0.5
145.06384	0.6
145.10036	1.2
147.11624	0.6
149.02223	0.5
151.07471	0.8
155.08340	0.5
159.11685	0.5
165.04114	0.5
165.05446	8.4
183.02753	0.4
187.03824	0.4
201.05386	0.5
213.05437	0.5
219.06462	0.8
220.20879	0.4
224.38777	0.4
226.06216	0.4
229.04887	0.9
244.07390	0.7
245.04510	0.5
247.05907	0.9
257.04355	1.3
258.05115	0.4
264.34122	0.4
269.04526	0.5
272.06821	0.7
274.04706	2.8
275.05426	1.7
275.20026	1.8
285.04001	2.2
297.03851	1.0
297.07324	0.4
299.01508	0.4
299.05429	0.4
300.06378	2.3
301.06641	0.5
303.05045	7.2
304.05637	0.4
304.64624	0.4
313.03491	5.1
313.06946	0.8
315.04883	2.1
315.08603	1.0
316.01999	0.7
317.06421	0.7
318.07217	1.0
325.03400	0.6
325.06931	0.7
327.04865	1.2
328.05746	13.4
329.06137	1.1
331.00583	0.4
331.04459	7.9
341.02795	0.5
343.08142	6.5
345.06067	1.2
346.06802	11.7
347.07068	0.4
352.51053	0.4
356.05206	1.5
359.03885	1.3
361.09125	23.4
362.09482	0.8
371.07614	6.4
373.05472	0.9
374.06247	3.8
383.21390	0.5
386.10132	2.9
389.08621	73.9
390.09036	3.5
401.22528	1.2
403.10275	0.6
404.10965	15.6
405.11111	0.6
419.13333	100.0
419.23187	2.4
420.13672	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	419.0971
Annotation	8-C-alpha-L-Arabinosylluteolin
Peak:m/z	Relative Intensity
50.89458	0.6
53.03937	1.4
55.01864	5.0
55.05485	1.5
57.03415	1.2
57.07040	2.0
59.04981	1.3
61.02906	1.4
65.03928	1.1
67.05477	1.7
68.99773	2.8
69.03429	4.1
69.07039	0.7
69.85741	4.6
70.06595	3.2
71.04968	0.9
72.08121	2.6
73.02921	1.5
79.05464	1.8
81.03423	5.1
81.07030	1.7
83.01333	1.5
83.04963	0.9
84.08137	1.1
84.97669	0.7
85.02893	8.7
85.06515	1.7
86.09702	1.0
87.00823	3.8
91.03903	0.7
91.05437	2.1
93.03347	0.7
93.07022	1.0
95.04935	1.6
95.08092	0.7
95.08599	8.0
97.02889	3.6
97.06515	1.1
97.07611	1.0
99.04435	1.9
99.08076	1.4
105.01831	1.8
105.03344	0.6
107.04972	4.5
107.08566	1.2
108.78873	0.6
109.02868	5.5
109.06448	0.7
109.10131	2.3
111.04411	1.0
111.08048	0.8
113.09631	5.8
114.10287	3.0
119.04900	2.2
121.02856	12.5
123.04405	0.9
127.03904	6.5
127.11150	0.6
131.04900	1.4
131.08554	0.9
135.04425	3.8
135.11676	1.6
137.02324	12.4
137.05904	0.9
137.13292	0.8
141.01796	1.8
145.02838	1.8
145.04950	1.7
147.04387	1.4
149.02255	1.5
151.03918	1.4
153.01752	1.1
153.12732	8.7
155.14275	3.0
159.02910	3.1
159.04030	0.6
161.02344	5.2
163.03914	4.1
165.01819	11.2
167.03387	1.7
171.13811	1.1
175.03882	2.2
177.01785	1.6
179.03397	6.1
181.01266	3.2
181.04926	1.8
183.02892	6.2
186.01604	0.7
187.03835	0.9
189.01904	0.9
191.03395	2.4
193.04904	0.9
195.02832	3.2
199.02382	3.5
201.05437	0.8
203.03365	4.3
204.14108	0.9
207.02861	1.7
211.02255	1.1
213.14804	1.8
219.02850	2.3
221.04408	1.2
226.97050	0.7
229.04895	1.2
231.02873	1.6
231.04959	1.1
237.03754	0.7
239.11903	0.7
241.05057	0.7
245.04259	0.9
247.02379	1.3
249.03818	1.0
255.06598	1.3
265.03375	0.9
267.11273	0.9
269.04410	0.8
271.06049	2.4
272.06699	1.8
279.06525	0.9
283.05978	6.5
285.04080	1.4
285.07571	1.2
286.04724	4.4
287.05496	6.5
295.05954	4.1
297.03900	3.0
297.07565	10.4
298.07843	0.9
299.05475	91.6
300.06216	12.9
301.06760	1.7
307.06039	1.2
309.07495	3.6
310.04764	1.0
311.05466	13.4
313.03656	0.7
313.07019	19.5
321.07504	2.3
323.05435	5.8
324.06119	0.9
325.07025	35.8
326.07645	0.9
327.08618	4.5
329.06525	54.9
330.06879	2.3
336.06281	1.1
337.07050	42.1
338.07379	1.6
339.04916	0.9
341.06531	8.5
341.10794	0.9
353.06537	68.7
354.06827	3.2
355.08102	4.8
359.07535	1.8
359.12180	0.9
363.08807	1.1
365.06531	34.4
366.07007	0.9
383.07578	100.0
384.07813	3.8
387.12119	0.9
391.08365	1.3
401.08728	15.6
402.08386	0.8
419.09787	19.0
420.09570	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.0969
Annotation	8-C-alpha-L-Arabinosylluteolin
Peak:m/z	Relative Intensity
55.01863	2.9
55.05491	1.0
57.03418	0.9
60.04518	1.2
63.97830	0.6
65.03919	0.9
68.99790	2.6
69.03411	0.8
69.07046	0.8
70.05988	2.6
70.06588	8.9
72.08139	3.2
76.35083	0.8
79.05495	1.0
81.03400	1.8
81.07053	1.5
84.04515	1.2
84.08129	2.8
85.02916	1.1
86.09696	7.2
91.05453	2.1
92.99782	1.0
95.04984	1.2
97.02862	2.2
98.21407	0.8
107.04970	1.8
109.02882	1.9
110.07179	1.2
117.03372	0.7
119.04973	0.7
120.08126	2.5
121.02852	5.3
121.08826	0.6
127.03880	0.9
127.08639	0.8
129.10210	1.4
131.04922	1.0
132.10179	0.9
135.04401	5.5
137.02332	15.0
137.03357	1.7
141.01833	2.1
147.04367	1.7
149.02354	2.0
161.02338	6.1
162.38802	0.8
163.03880	4.5
165.01837	16.8
165.05464	0.9
167.03450	4.4
173.12759	0.9
175.03912	3.2
177.01767	1.1
177.72882	0.8
179.03374	7.0
181.04971	1.5
183.02878	9.4
187.03876	1.5
189.01872	1.0
189.91269	0.7
191.03372	1.7
193.04938	1.5
195.02856	2.4
203.03333	6.3
205.09775	0.9
207.02838	1.8
221.04446	2.7
229.04921	1.6
245.04514	2.5
255.06584	1.3
263.14346	0.7
271.06015	1.7
283.05942	7.0
286.04709	2.7
287.05386	5.2
289.03400	1.4
295.05817	3.7
297.07550	8.5
299.05472	92.5
300.06189	13.5
301.07077	1.3
305.08002	0.9
309.07587	5.0
311.05472	14.5
313.03485	1.8
313.07004	15.6
321.07526	2.7
323.05460	4.5
325.07022	26.3
326.07458	0.9
327.05338	0.9
327.08621	4.6
329.06537	60.0
330.06635	1.1
336.06216	1.2
337.07043	45.3
338.07297	2.7
339.04785	1.4
341.06561	7.4
353.06525	47.7
354.06757	1.7
355.08060	3.1
365.06516	36.2
366.06873	1.9
383.07581	100.0
384.07843	3.9
401.08694	13.6
419.09933	4.9
419.26114	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	418.3159
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	5.9
53.35495	4.5
55.01857	15.1
55.05513	38.1
57.03438	5.3
57.07065	10.5
57.67433	5.1
67.05498	37.2
69.03411	7.3
69.07051	17.1
70.06593	7.7
70.91356	14.5
71.08632	4.9
79.05503	28.9
81.01675	5.8
81.03392	21.6
81.07054	56.8
81.64924	5.0
83.04932	10.1
83.08623	30.3
85.10184	15.9
86.09676	10.2
91.05470	23.9
93.07043	33.5
95.04954	14.8
95.08596	43.5
97.02845	5.7
97.06509	14.5
97.10178	7.5
105.07022	34.1
107.04913	8.3
107.08576	17.8
109.02912	6.2
109.06512	11.9
109.10137	18.9
111.08073	27.4
113.09613	17.0
117.07031	10.9
119.08572	21.9
121.10133	15.2
131.08542	11.8
132.10190	9.0
133.10110	24.4
135.11722	12.2
136.97574	5.4
145.10062	8.3
147.11685	14.9
149.09615	10.1
149.13246	7.5
149.71140	5.1
149.88004	5.7
151.11234	7.3
153.12724	8.9
156.21802	5.5
157.10097	5.5
163.11095	5.7
165.12718	20.3
179.14342	5.8
184.07332	17.0
197.87401	6.2
259.20541	7.1
275.20038	9.5
277.21606	92.3
278.21939	6.5
279.05582	5.2
295.22610	9.3
309.24152	14.3
333.19113	6.7
351.20956	9.0
351.25232	100.0
352.25589	7.7
383.23489	6.3
383.27780	29.3
418.38858	20.2
419.23770	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	418.3158
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94632	4.5
55.01855	11.4
55.05520	28.3
57.07063	9.5
59.05018	4.6
64.99792	5.2
67.05492	32.6
69.07038	14.7
69.12192	4.4
70.05844	18.2
70.06262	10.0
79.05476	22.9
81.03397	16.6
81.07053	38.0
83.04949	6.8
83.08608	26.2
85.10192	6.8
86.09703	6.0
90.28686	4.3
91.05469	22.9
93.07030	28.4
95.04938	10.4
95.08590	27.7
97.06516	10.3
98.20741	5.0
105.07007	16.5
107.08597	16.6
109.06516	5.5
109.10137	14.5
109.96212	4.8
111.08065	23.8
113.09647	9.7
115.60616	4.5
119.08582	11.7
121.10146	14.9
128.75273	4.7
129.06885	6.1
131.08606	6.9
132.10130	5.0
133.10141	15.0
135.11615	6.2
147.11626	10.5
149.13205	6.7
151.11130	10.2
161.13092	4.8
165.12688	27.9
184.07361	6.6
189.22868	5.0
206.88332	5.0
249.22118	7.0
259.20578	4.9
275.20151	6.9
277.21548	70.5
278.21701	5.0
295.22714	11.2
309.24271	11.4
333.55310	4.4
351.25269	100.0
352.25684	6.4
377.88977	5.8
383.27722	19.6
418.38852	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	418.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46281	0.7
53.03940	3.7
55.01856	2.0
55.05498	0.9
57.03434	1.1
61.02912	2.1
65.03947	1.7
67.05498	1.3
69.03421	10.3
70.06579	1.3
70.65918	2.7
71.04971	1.9
72.08172	0.7
72.14762	0.8
73.02899	2.1
79.05492	4.6
81.03404	6.7
81.07047	1.0
84.08124	0.7
85.02896	26.9
86.09693	1.7
87.00820	9.1
91.05468	15.4
93.07033	63.3
94.50249	0.7
95.04961	4.0
95.08617	1.0
97.02884	9.3
99.04449	4.1
103.05466	1.0
105.01211	1.4
105.01859	15.9
105.02520	1.5
105.07014	6.0
107.04971	1.2
107.08580	100.0
108.04484	1.5
108.08925	1.2
109.02865	6.9
109.06506	3.5
113.82854	0.8
115.05423	1.1
117.01842	1.5
117.07009	0.9
119.06052	1.2
123.04446	1.9
124.05145	0.7
127.03903	17.7
128.99431	0.8
131.04883	1.0
135.11678	70.3
136.12033	1.5
137.05994	1.5
142.24327	0.7
145.04933	8.3
145.06436	2.2
153.12733	1.8
159.02919	4.0
167.07022	22.1
168.07370	15.4
173.05978	2.8
174.06332	2.1
181.04955	6.5
182.05267	4.4
191.06993	1.3
192.07458	1.2
213.03851	1.1
231.04926	4.7
234.08406	1.7
248.07860	0.8
249.05951	1.1
388.14572	4.9
418.15659	7.6
418.20486	1.0
419.15311	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.228
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06458	0.8
57.03439	1.1
61.02933	0.8
64.66766	0.7
69.03426	2.6
70.06579	1.0
71.04987	1.6
71.08436	0.9
71.08765	1.6
83.98512	0.7
84.08129	1.5
85.02898	10.1
86.09714	1.3
87.04493	1.4
89.06022	69.7
97.02898	2.5
106.06571	0.9
107.07043	2.6
110.06040	6.1
119.05884	0.8
122.06020	1.2
127.03880	1.9
133.07579	1.7
133.08591	34.1
134.06039	1.2
145.04996	0.9
147.04446	1.4
151.09642	3.4
155.66183	0.9
177.11218	6.5
195.12299	2.4
231.56592	0.8
238.10754	2.5
239.14876	100.0
240.15195	2.1
256.11646	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.3059
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05468	0.3
56.05026	0.8
61.89392	0.3
67.05513	1.6
68.05032	0.6
69.07092	0.5
71.36697	0.7
79.05470	0.6
81.04540	0.6
81.07053	1.0
82.05315	0.5
83.05649	0.6
83.06102	7.6
91.05476	0.5
91.10744	0.3
91.55123	0.3
93.04520	5.9
95.06085	4.4
95.08577	0.6
105.07034	0.3
110.07155	100.0
111.06807	0.4
111.07487	1.7
112.08711	0.5
119.08564	0.6
121.10191	0.4
124.86110	0.3
138.06656	0.4
156.07674	38.8
157.08044	0.6
168.63806	0.3
180.30374	0.4
185.42851	0.3
202.10782	0.3
327.78787	0.3
372.30093	3.0
400.29712	1.8
418.30643	24.0
419.30884	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	418.1493
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59647	0.8
53.03945	1.1
55.01855	2.0
56.05009	1.1
57.03424	1.0
58.12756	0.8
61.02901	1.1
65.03925	1.1
67.05485	2.2
69.03405	2.3
69.07043	1.0
69.37766	0.8
70.06583	24.2
71.04955	1.0
71.06915	1.1
71.74061	1.3
72.08150	4.4
73.66622	0.8
75.50768	0.7
79.05485	1.3
81.03401	1.2
81.07024	0.9
82.06535	1.1
84.04483	1.2
84.08125	4.8
85.02902	3.8
86.09715	6.4
87.04438	1.4
87.10000	1.8
91.03942	1.3
91.05458	2.2
93.07042	1.0
95.04939	3.2
97.02872	2.7
97.06496	0.9
105.03388	1.9
109.02846	2.2
110.06033	0.9
111.04433	1.3
112.07578	2.6
116.06277	1.7
116.07079	31.0
119.04928	4.6
120.08122	1.7
121.02859	1.0
123.04418	31.1
124.04641	0.8
127.03922	2.2
127.08647	1.0
129.10258	1.0
130.04988	1.1
135.04382	3.3
137.02284	1.7
137.05946	1.4
139.03902	11.6
143.04898	1.2
145.04900	1.1
147.04399	18.7
151.03889	83.7
152.04280	1.5
153.05447	2.6
158.08107	2.4
161.05937	4.2
163.03880	5.8
165.05487	7.7
167.55975	1.0
173.05959	3.8
175.07448	0.8
177.05432	1.2
179.03339	1.0
179.07043	1.2
181.04945	6.0
189.05501	1.1
193.04947	4.9
207.06508	3.1
215.06950	1.2
215.45116	0.9
217.08664	2.6
234.98839	0.9
243.06563	1.1
254.17491	1.6
285.07523	2.6
303.08597	100.0
304.08963	2.8
328.21243	1.9
337.88242	0.9
337.98114	0.9
356.20551	1.1
400.23026	1.2
418.16827	0.9
419.07446	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	418.1341
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	12.0
55.01853	13.3
69.03412	44.2
70.06580	41.2
70.10433	22.6
70.10831	19.5
72.08142	18.7
72.48486	8.8
73.02895	14.9
78.03353	9.5
81.03411	48.0
82.43260	9.3
84.08107	23.5
85.02888	100.0
86.09688	15.4
87.00829	42.9
91.05487	22.8
97.02873	90.4
99.04410	16.9
103.05454	35.4
105.01838	37.5
109.02856	26.8
110.07097	12.3
119.04925	20.5
121.02843	27.1
127.03924	92.0
129.10236	9.7
131.04915	75.5
137.05937	31.3
143.04973	11.9
145.04936	69.1
145.06024	8.7
145.06534	9.4
147.04407	15.4
153.05426	36.3
159.02919	25.8
161.05988	17.0
163.07481	25.1
164.69724	8.6
166.08601	11.6
176.07043	12.8
177.05475	12.2
189.07730	11.2
192.10144	26.9
204.10165	17.9
208.09642	36.5
220.09520	10.5
222.11214	55.4
231.04907	15.7
238.10759	32.3
300.77039	9.2
400.17654	13.7
418.18555	15.3
419.07574	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	418.1492
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	3.0
55.05489	0.7
55.93501	0.8
56.05014	1.1
57.03415	0.8
61.02909	2.9
65.03914	0.7
66.63933	0.7
67.05489	0.8
68.99787	1.1
69.03419	2.6
70.06586	13.5
70.41466	1.9
71.06905	0.9
72.08146	4.3
74.06069	1.0
79.05500	1.5
81.03405	2.2
81.07031	1.0
83.06092	0.8
84.04502	1.6
84.08137	5.3
85.02896	4.6
86.09690	4.0
90.05537	1.1
90.96012	0.8
91.03928	1.6
91.05449	2.5
93.07063	1.4
95.04957	2.2
95.06013	1.0
95.08613	0.9
96.36667	0.7
97.02874	4.3
98.09687	0.9
105.06993	0.9
108.08114	0.9
109.02873	1.6
110.07162	0.8
111.04433	2.1
112.07630	1.7
112.08694	0.8
112.11237	0.7
115.05438	0.8
116.07069	8.7
117.06967	0.7
119.04944	5.9
120.08086	2.8
122.02612	0.7
123.04420	32.5
123.49288	0.8
127.03894	3.0
129.10217	1.7
135.04396	3.8
137.02374	1.4
137.05931	1.7
138.09171	0.9
139.03885	12.4
143.04854	0.9
147.04393	17.1
147.05519	0.8
149.09596	0.9
151.03891	60.4
152.04269	1.2
153.05406	1.8
158.08136	2.1
161.05931	4.2
163.03870	5.1
165.05473	8.2
167.07054	3.1
173.05966	3.1
175.03984	1.0
175.07443	0.7
177.05475	1.0
179.03360	1.0
179.07039	1.9
181.04951	7.1
181.08398	0.9
183.07921	0.8
187.07491	1.3
189.05423	1.4
193.04927	4.6
193.12285	0.7
197.05995	1.0
207.06465	3.9
215.06921	0.9
217.08553	1.4
238.14357	2.0
254.17548	1.4
256.11761	1.3
261.07529	0.8
285.07632	2.5
287.05441	1.3
303.08603	100.0
304.09036	2.8
304.75085	0.8
328.21143	1.7
398.28909	1.8
418.20419	1.3
418.32806	1.3
419.07693	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.1341
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28616	0.8
53.03946	7.6
53.58399	0.9
55.01864	10.0
55.05503	1.1
55.90643	0.9
57.03433	5.8
61.02921	6.2
67.86189	0.9
68.99782	2.7
69.03421	29.8
70.06573	6.0
71.04984	5.6
71.14006	1.9
71.14344	1.8
72.08147	5.0
73.02904	9.3
79.05490	6.6
81.03410	30.3
84.04498	3.2
84.08149	3.3
85.02897	100.0
86.09697	8.3
87.00822	33.7
87.04453	1.5
89.83153	1.0
90.48885	1.1
91.03951	1.8
97.02882	37.4
99.00773	1.2
99.04453	17.1
105.01859	51.1
107.04937	3.9
108.04475	1.9
109.02870	34.7
110.07182	2.0
115.03954	1.4
116.06994	1.0
117.01836	4.4
120.08148	0.9
123.02967	1.2
127.03903	88.5
129.01842	4.0
129.10213	1.8
135.04420	5.8
143.11758	1.3
144.06622	1.1
145.04944	47.0
147.02890	3.2
159.02881	30.3
177.03943	1.3
182.52409	1.0
185.55193	1.1
189.03912	1.4
213.03995	5.4
231.04990	23.3
249.06108	3.9
329.50140	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2633
Annotation	Macrolactin M
Peak:m/z	Relative Intensity
55.57038	2.8
58.22616	2.7
64.63913	2.5
67.05488	5.5
69.07055	8.6
71.46741	6.6
71.47087	3.4
81.07032	5.5
83.01359	4.1
91.05482	4.6
93.07043	3.7
105.02342	2.5
105.94408	2.9
107.08592	6.1
109.10101	3.6
115.50845	3.3
119.08625	3.5
121.10108	3.8
123.11705	5.9
126.64961	2.8
133.10048	2.9
135.08081	6.2
135.11661	5.2
137.21692	3.0
151.68790	3.2
162.46745	2.8
163.07501	8.7
165.05466	29.8
191.07028	60.6
209.08076	100.0
210.08487	5.2
218.34834	3.1
221.11708	8.9
287.16568	5.8
331.19083	18.5
402.91119	3.3
417.28528	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	417.2397
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02368	2.0
52.88233	1.7
53.03942	2.6
55.05507	9.3
57.03424	5.5
57.07065	7.0
61.76461	1.4
65.03931	1.7
67.05142	2.5
67.05500	45.9
69.07066	14.5
70.24778	7.2
71.08616	4.5
79.05483	17.9
81.03437	1.6
81.07051	65.7
83.08619	8.0
85.06506	2.8
85.10162	1.5
91.05463	12.2
93.07030	17.7
95.04950	2.2
95.08598	60.4
96.08916	1.4
97.06520	4.3
97.10178	4.3
98.20669	1.6
98.98462	87.2
99.08068	2.4
105.07007	9.5
107.06340	1.4
107.08584	11.4
109.10153	27.1
111.08058	4.1
111.11743	1.8
116.99499	1.8
119.08564	9.9
121.10146	15.3
123.11699	13.3
125.09609	1.9
133.10126	12.8
135.11682	6.0
137.13261	9.5
138.46561	1.6
147.11653	7.7
149.13274	6.7
151.14832	7.6
155.01030	100.0
161.13222	7.3
163.14832	6.5
165.16357	3.8
175.14786	4.8
179.17882	2.3
189.16389	3.5
245.22607	19.7
263.23679	49.9
263.26474	2.5
264.23938	1.9
270.73575	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2396
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	11.7
57.03434	7.8
57.07061	5.9
65.03920	1.7
67.05498	49.8
69.07066	12.9
70.35980	4.3
71.08621	3.5
79.05483	14.5
81.03395	1.4
81.07048	66.6
83.04929	1.6
83.08608	11.0
85.10149	1.5
91.05465	11.2
93.07037	18.3
95.04977	1.7
95.08597	57.6
97.06506	5.0
97.10152	3.9
98.98460	85.8
105.07025	9.9
107.08562	12.7
109.10153	27.9
111.08062	3.0
113.09584	1.6
119.08548	5.7
121.10119	10.9
123.11695	11.8
127.11195	1.7
133.10100	9.7
135.11694	7.3
137.09634	2.1
137.13228	8.0
147.11691	7.8
149.13249	8.1
151.11208	1.4
151.14777	7.1
155.01024	100.0
161.13223	4.6
163.14813	5.9
165.16376	3.7
175.14778	5.2
189.16333	2.1
245.22638	23.2
263.23685	50.4
279.31900	1.4
301.05011	1.3
301.25592	1.4
400.78937	1.6
421.13712	1.6
437.86722	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2268
Annotation	Arenobufagin
Peak:m/z	Relative Intensity
53.03930	6.7
55.01870	34.9
55.05509	30.3
57.03422	4.0
57.07058	4.0
63.07761	1.6
65.03923	5.2
67.05501	48.0
69.03407	5.5
69.07062	14.8
70.93302	5.5
71.01349	3.8
71.04984	5.4
71.08595	2.2
76.05288	1.6
77.03928	1.8
79.05486	43.3
81.03411	9.8
81.06606	3.2
81.07051	38.5
83.01321	4.2
83.04966	4.9
83.08611	9.7
85.02888	4.2
85.06539	3.3
87.04463	2.3
91.04917	3.3
91.05470	49.7
93.03406	3.6
93.07042	32.4
95.01302	5.2
95.04945	12.8
95.08597	20.8
97.02859	5.4
97.06504	3.8
97.10168	4.1
99.08092	2.2
103.05449	9.1
105.03378	2.2
105.07022	43.4
107.04950	13.6
107.08588	14.8
109.02866	6.4
109.06532	4.9
109.10148	14.8
111.08038	2.5
115.05467	10.7
116.06243	2.5
117.07007	25.8
119.04974	8.1
119.08583	21.4
121.02871	4.7
121.06483	12.3
121.10127	12.5
123.04403	7.4
123.08030	3.9
125.02327	9.1
125.05896	2.3
128.06203	10.3
129.07001	24.2
130.07790	3.1
131.04903	10.0
131.08559	30.9
133.06485	17.9
133.10106	13.9
135.04381	11.8
135.08057	9.4
135.11681	5.1
137.02316	3.3
137.05917	2.3
137.09644	4.1
139.03883	7.1
141.06995	12.6
142.07790	6.5
143.08546	18.7
145.02881	2.2
145.06480	23.8
145.10110	13.6
146.07289	2.7
147.04437	11.9
147.08034	10.3
147.11694	7.0
148.76378	1.6
149.02388	3.1
149.05972	10.5
149.09616	9.8
151.03900	5.8
151.11140	2.2
152.06183	2.6
153.05580	2.9
153.06995	4.9
154.07782	2.3
155.03360	2.7
155.08560	10.0
156.09299	2.2
157.06506	10.4
157.10095	10.0
158.07169	2.6
159.04375	7.5
159.08049	13.7
159.11671	6.8
161.05942	15.1
161.09607	9.4
161.13243	2.7
163.03915	16.4
163.07509	4.6
163.11118	4.3
165.05450	5.2
165.06992	5.3
166.07747	2.4
167.07111	3.0
167.08557	7.7
168.09404	1.9
169.05086	2.4
169.06499	5.7
169.10132	10.8
170.07170	2.0
171.04414	3.7
171.07997	11.8
171.11673	6.7
173.05986	18.2
173.09602	9.6
173.13234	3.6
175.03896	6.8
175.07503	7.2
175.11215	8.2
177.05505	12.6
177.09149	3.9
177.12672	3.0
179.08528	3.4
180.09348	2.0
181.05040	3.6
181.06491	3.6
181.10101	7.9
183.08044	7.3
183.11705	6.8
185.05991	9.9
185.09590	8.6
185.13318	3.6
187.03865	5.7
187.07545	11.1
187.11151	7.7
187.14784	2.3
189.05431	20.0
189.09120	4.9
191.07037	4.2
193.04984	4.8
193.10150	2.9
193.12166	2.9
194.07304	2.7
195.08037	3.1
195.11627	7.2
196.08775	1.9
197.05994	2.0
197.09567	4.0
197.13246	4.6
198.06923	1.9
199.03905	3.1
199.07533	6.9
199.11172	7.5
201.05429	8.3
201.09106	8.9
201.12726	6.6
203.06984	6.9
203.08763	1.8
203.10681	5.4
203.14587	1.8
205.05028	2.0
205.08546	3.6
205.10265	3.9
205.12135	3.4
207.10176	5.1
209.09555	4.7
209.13234	3.9
211.07678	3.5
211.11211	5.5
211.14687	1.9
213.05371	3.7
213.09033	4.7
213.12732	5.9
215.07048	5.0
215.10704	6.2
215.14360	3.9
217.08717	3.6
217.12271	8.1
219.10129	7.6
221.04468	4.1
221.09546	2.2
221.11546	2.7
223.11159	4.2
225.09105	4.2
225.12846	3.1
227.07175	3.3
227.10680	6.8
229.08685	3.2
229.12279	7.1
231.10091	4.4
231.13799	2.8
233.08084	2.1
233.11743	5.9
235.05963	5.2
237.12749	4.3
239.10603	4.3
239.14383	3.1
241.08684	2.5
241.12315	5.9
243.10141	5.3
243.13765	5.9
245.11681	21.4
247.13316	5.3
251.10762	3.6
253.12260	3.5
253.19508	2.5
255.10115	2.2
255.13826	6.4
255.17442	2.4
257.11725	6.4
257.19077	3.4
259.09982	2.2
259.13248	6.5
261.11124	2.3
263.12799	3.2
265.12189	3.0
269.11761	5.3
269.15253	3.5
271.13232	11.8
271.20508	3.1
273.14731	2.0
275.12729	12.2
279.17361	2.8
281.19058	3.8
283.13229	8.0
285.14862	5.5
287.12759	5.1
289.14392	3.7
289.21677	2.3
291.12140	2.0
297.11618	2.0
297.14859	6.4
299.12781	3.0
299.20068	2.2
301.14386	3.5
305.13892	7.0
307.20383	2.8
311.12683	3.9
311.20068	5.2
315.15872	2.5
315.19577	2.8
317.21350	2.5
319.15329	2.8
322.42618	2.2
325.18079	3.3
325.21625	7.4
327.19601	11.7
327.22928	3.1
329.13708	9.9
329.21021	6.8
335.15088	4.8
335.20001	6.8
339.19550	6.4
341.21030	2.6
343.19019	4.9
343.22632	3.9
345.20459	2.3
347.14993	14.9
351.19638	5.4
353.21039	28.7
355.22729	3.7
357.20685	7.3
361.20084	2.3
363.19553	10.4
369.20624	22.4
371.22098	33.2
381.20563	33.1
387.21729	10.8
389.23193	7.8
399.21664	100.0
400.22021	3.9
417.22684	75.7
418.23148	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	417.2015
Annotation	Unknow
Peak:m/z	Relative Intensity
54.63833	1.0
55.05501	1.0
56.60153	0.8
57.03421	2.1
65.03911	2.1
67.05489	1.2
69.80859	5.8
79.05473	3.2
81.07047	8.2
85.02889	1.1
92.04993	1.3
93.34824	0.7
95.04945	0.9
95.08603	1.4
96.08126	2.2
103.05401	0.9
105.07009	1.0
106.06556	0.9
107.04942	1.9
108.08158	1.1
117.07014	1.8
123.04412	1.5
124.05109	1.2
124.07583	3.9
131.04944	0.8
136.07535	1.1
145.06453	3.0
150.09029	0.9
152.03421	1.8
152.04546	1.1
152.07048	1.2
162.09117	2.3
164.10680	3.2
166.05008	8.1
167.07021	32.9
168.06490	1.1
173.05917	4.9
176.03400	2.8
176.14403	1.0
178.12282	1.3
180.13821	2.4
181.04941	11.5
191.07001	1.8
192.02864	1.0
194.04507	1.1
198.07890	4.1
199.08562	4.4
200.10728	2.3
204.13757	7.8
206.15416	9.4
208.16942	2.4
209.10666	1.3
211.08607	1.3
211.12144	1.4
212.09410	8.1
213.10191	1.8
222.14867	3.2
226.07436	1.0
226.10872	1.9
227.08035	2.7
227.11763	8.6
228.10240	4.5
229.13310	0.9
233.08028	2.9
236.09590	1.2
237.10228	2.6
239.08183	1.1
240.08902	3.1
241.09668	3.7
242.10475	1.7
244.08429	3.0
255.11273	11.3
257.09204	7.1
257.12857	1.8
265.09665	1.9
269.09113	2.0
270.09933	4.4
273.12332	2.6
283.10745	100.0
284.11011	3.1
285.08853	1.3
285.12283	2.0
287.10184	7.5
288.10941	3.1
300.11127	1.3
301.11795	70.1
302.12119	3.4
319.12854	64.8
320.13242	3.3
329.11252	16.7
351.33264	0.9
353.18625	1.1
357.17920	3.4
371.19766	1.1
381.17734	1.3
387.14267	3.3
399.13965	2.0
399.19113	37.5
400.19608	2.0
417.15201	7.3
417.20154	21.3
418.20276	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2016
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37972	0.5
53.03939	0.6
55.01851	0.6
55.05491	1.9
57.03424	2.1
63.05681	0.5
65.03909	1.4
67.05502	3.2
67.05816	0.6
69.03405	0.9
69.07057	1.4
70.68260	1.2
70.68626	1.2
78.04690	1.4
79.05483	6.9
81.03370	0.8
81.06615	0.7
81.07049	10.6
82.04166	0.6
83.04961	1.0
83.08582	0.6
84.08081	0.7
85.02883	1.2
91.05468	1.9
92.04987	1.4
93.07024	2.5
94.06554	1.0
95.04933	1.7
95.08576	3.0
96.08104	2.1
96.66954	0.6
97.06515	0.8
97.10127	0.8
99.08090	1.0
100.11229	0.8
103.05433	1.5
105.06982	1.4
106.04163	0.7
106.06542	0.9
107.04910	2.0
107.08546	1.9
108.08051	0.8
109.02900	0.6
109.06503	1.6
109.10161	3.0
110.03624	0.8
111.08076	1.0
115.05407	1.5
117.07003	3.2
119.08548	1.7
120.08054	0.9
121.06443	0.5
121.10091	1.0
123.04417	3.3
123.11693	1.1
124.05150	1.6
124.07568	6.1
125.05952	0.8
126.09085	0.9
128.06125	0.7
129.06995	0.6
131.04912	0.8
131.08533	0.9
133.10104	0.9
135.11679	0.7
136.07559	1.5
137.05962	0.9
137.13200	0.9
138.02969	0.6
138.05421	0.6
138.09114	1.4
143.08498	0.8
144.08070	0.8
145.06487	4.0
145.10121	0.9
147.11658	1.1
150.05478	0.7
151.03812	0.7
152.03415	2.5
152.04642	1.1
152.07025	1.5
155.05988	1.0
157.10094	1.1
162.09122	2.7
163.07576	0.7
164.10738	4.2
165.09102	0.9
166.04990	9.3
167.07022	47.3
170.08427	0.8
171.06485	1.1
171.09126	1.3
172.07574	1.0
173.05937	6.1
176.03398	2.3
176.14256	1.3
178.12199	0.8
180.13809	1.9
180.25861	0.5
181.04935	15.7
181.07407	0.9
182.15366	1.1
182.43266	0.7
183.09192	0.7
184.09866	1.5
191.06979	1.7
192.02876	1.1
194.04453	1.7
195.06532	0.7
198.07841	3.5
199.08551	5.1
199.12204	0.7
200.10704	3.7
204.13823	7.0
205.08537	1.1
206.15367	8.8
207.15953	0.7
208.16913	2.0
209.10696	1.4
210.03963	0.8
210.09050	0.7
211.08580	2.7
211.12245	0.6
212.09427	8.7
213.10133	2.0
214.10812	0.7
222.14827	3.4
225.06648	1.0
225.10249	1.1
226.07298	1.9
226.11034	2.0
227.08162	2.6
227.11768	10.7
228.10115	3.9
228.12215	1.1
229.13336	1.2
233.07974	3.5
235.09512	1.1
236.09543	1.2
237.10176	2.5
238.10760	0.8
239.08070	1.3
240.08916	4.3
241.09660	4.0
242.10457	2.0
243.07668	1.1
244.08276	3.6
253.09647	1.8
255.07465	0.9
255.08278	0.8
255.11263	11.0
256.11725	1.3
257.09177	7.1
257.12799	2.2
265.09726	2.4
269.09140	2.1
270.09982	4.2
271.10553	0.7
272.07742	0.7
272.11725	1.0
273.09534	0.7
273.12192	3.0
283.10733	100.0
284.11111	5.3
285.08902	1.0
285.12305	1.9
287.10208	9.3
288.10785	2.9
300.10989	0.9
301.11792	69.3
302.12149	4.0
319.12842	60.1
319.18298	0.9
320.13177	3.0
329.11270	19.2
330.11670	0.9
353.18616	1.5
357.18143	4.6
371.19754	1.0
381.17844	1.4
382.41763	0.6
387.14380	5.4
399.19092	36.4
400.19281	3.0
417.15219	9.2
417.20203	16.2
418.15463	0.7
418.20563	1.5
431.21732	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1755
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26185	1.9
50.63450	1.6
53.03948	2.0
53.34524	1.5
55.01865	3.7
55.05495	3.4
56.05017	2.5
57.03427	4.9
60.04519	4.3
69.03411	3.2
69.07059	2.8
69.88100	11.1
70.01750	1.7
70.06591	32.4
72.08154	61.8
73.02915	2.4
74.06087	3.2
79.05486	5.8
81.03416	4.8
84.04488	8.7
84.08122	19.0
85.02892	9.8
86.09701	54.5
88.03963	1.9
91.05495	5.7
95.05012	2.3
96.08009	1.7
97.02891	5.3
98.20731	2.0
102.05535	6.4
103.05466	18.3
105.07030	48.2
105.28359	2.2
105.87219	2.0
107.04932	6.0
109.02895	2.9
110.07128	6.0
112.08694	2.8
116.07096	4.3
119.04956	2.2
120.08106	4.3
122.03646	2.7
124.05206	4.0
125.83785	2.0
126.05457	2.2
127.03902	5.2
129.10219	13.7
131.04929	28.7
132.05676	3.9
133.06487	100.0
135.08014	2.2
136.07559	3.0
137.05972	90.8
138.06285	2.8
141.06598	2.5
143.11810	10.9
145.04987	1.9
147.04401	2.5
148.05156	8.6
148.06078	5.8
149.05959	4.3
150.06743	29.8
151.07529	4.4
152.08194	2.1
157.06415	1.9
157.09724	3.4
161.06030	2.9
162.06686	2.2
163.07527	27.6
164.08203	6.4
165.09116	83.7
171.11302	8.6
173.13004	2.1
175.07483	4.1
179.07065	2.1
180.07565	1.9
181.08295	2.4
183.10114	6.7
185.16502	5.6
187.10786	3.5
189.09015	3.4
203.10640	3.4
211.09679	3.5
213.16090	3.1
215.10258	2.3
225.15956	4.0
239.12645	6.1
244.77606	1.9
247.12930	6.6
257.13794	3.6
261.14517	3.9
270.18045	4.4
417.15225	7.2
417.24716	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	417.154
Annotation	Comazaphilone C
Peak:m/z	Relative Intensity
53.03888	0.7
55.01808	1.2
55.05466	0.7
65.03867	2.4
65.19656	0.5
67.05425	1.9
70.06555	1.3
71.75535	0.8
72.08100	0.5
78.04694	2.8
79.05409	2.2
81.03352	1.0
81.06973	1.6
82.04115	0.8
84.08060	0.9
85.02835	1.6
91.05407	1.7
95.04887	1.6
95.08569	1.1
97.06481	0.5
103.05460	5.0
105.03327	0.8
105.06986	1.3
106.04089	1.5
107.04951	3.4
108.02043	0.7
109.06500	0.8
109.10113	0.8
110.03629	1.2
111.04340	1.0
115.05451	4.6
117.07025	6.4
118.04098	1.0
119.04960	0.6
119.08547	0.9
122.03603	0.7
123.04413	6.8
124.05209	3.4
125.05943	1.2
127.05386	1.2
131.04910	3.5
133.06442	1.0
134.03569	0.8
137.02332	1.0
137.05933	2.0
138.03035	0.9
142.02585	1.2
143.99069	0.7
144.05690	0.8
145.06476	10.4
147.07994	0.5
148.05182	1.9
149.13141	0.6
151.03903	2.6
152.04630	2.3
155.05991	2.6
161.06033	0.5
163.07507	3.8
165.05594	0.6
167.07025	100.0
168.07387	2.2
171.06502	2.2
173.05969	16.6
173.49709	0.5
174.06412	0.8
175.07480	0.9
176.04649	0.8
181.04942	36.4
182.05176	0.6
191.07005	12.5
201.05501	1.3
205.08591	4.4
219.10138	0.6
221.38203	0.6
233.08069	8.8
235.09592	4.8
240.08110	0.6
267.06677	1.2
299.05753	2.1
311.05762	2.3
313.07123	4.3
327.08704	2.7
353.10617	0.8
355.08240	2.8
381.09949	1.1
387.14346	13.7
388.14542	0.6
399.11075	1.8
417.12253	2.8
417.16037	22.6
418.16568	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1541
Annotation	Comazaphilone C
Peak:m/z	Relative Intensity
53.03922	0.4
55.01870	0.4
55.05482	0.5
65.03931	2.6
67.05476	1.1
69.03390	0.4
69.07066	0.4
69.80134	1.2
69.80554	1.0
70.06565	1.0
72.40904	0.3
78.04695	3.1
79.05486	2.3
81.03403	0.5
81.07023	0.5
82.04169	0.6
83.08617	0.5
84.08128	0.3
85.02900	1.7
86.09671	0.6
89.84679	0.3
91.05443	1.7
93.03387	0.5
94.04137	0.3
95.04974	1.4
97.02849	0.3
97.05213	0.3
97.06516	0.7
97.82052	0.3
98.20707	0.6
100.11244	1.2
103.05449	3.1
105.03360	0.4
105.07003	0.7
106.04153	1.5
107.04945	3.4
107.08564	0.7
109.02837	0.4
110.03651	0.8
111.04385	0.8
115.05441	3.3
117.07000	5.0
118.04159	0.4
122.03612	0.5
123.04420	7.0
124.05223	2.4
125.05954	0.9
127.05398	0.7
131.04939	2.1
133.06458	0.5
134.03600	0.4
137.05963	0.7
138.03104	0.9
142.02628	0.5
142.40155	0.3
143.04858	0.4
145.06473	8.9
148.05148	1.1
151.03882	1.5
152.04646	1.7
155.05994	1.9
157.06348	0.3
161.06006	0.7
163.07559	2.1
167.07018	100.0
168.04155	0.3
168.06097	0.3
168.07344	1.8
168.13776	0.5
171.06511	2.6
173.05968	14.3
175.07506	0.8
181.04939	33.8
182.05263	0.7
182.15424	0.4
189.05435	0.3
191.07011	6.8
195.06497	0.8
196.13400	0.5
201.05617	0.5
203.06960	0.3
205.08583	3.0
210.14925	0.4
217.08591	0.6
221.08054	0.5
233.08055	8.1
233.10274	0.6
235.07446	0.6
235.09604	3.4
267.06421	0.5
279.06174	0.3
295.09894	0.3
329.10162	1.0
355.11871	0.4
369.13193	0.4
371.15143	0.5
381.13501	0.5
387.14346	13.0
388.14722	0.5
399.14374	0.7
417.15414	23.9
418.15613	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.154
Annotation	Comazaphilone C
Peak:m/z	Relative Intensity
51.96685	0.3
53.03921	0.4
53.32337	0.4
55.01860	0.8
55.05487	0.7
65.03941	1.9
66.91911	0.4
67.05475	1.1
69.03432	0.6
70.02620	0.7
70.03016	1.2
70.06582	0.4
73.04748	0.3
78.04700	3.1
79.05488	2.5
81.03398	0.7
82.04184	0.6
83.08589	0.7
84.04478	0.6
85.02891	1.0
91.05457	1.5
95.04957	1.3
97.06490	0.6
100.11260	2.5
103.05463	2.4
105.06995	0.5
106.04175	1.3
107.04974	2.7
109.06496	0.4
110.03635	1.2
111.04411	1.1
115.05438	3.1
117.07004	5.9
121.93956	0.4
123.04423	7.1
124.05210	2.8
125.05969	1.1
127.05437	0.6
129.07005	0.4
131.04893	2.0
133.02821	0.6
133.06418	0.4
134.03606	0.7
137.05980	0.9
138.03087	0.8
142.02631	1.2
143.04922	0.4
143.95506	0.5
145.06480	9.4
147.08058	0.4
148.05205	0.5
151.03897	1.6
152.04683	2.2
154.12234	0.9
155.06006	2.1
161.05940	0.6
163.07535	1.5
165.05446	0.6
167.07025	100.0
168.07352	2.0
171.06520	2.0
173.05969	13.9
174.06400	0.3
175.07527	0.6
181.04941	30.4
182.05267	0.8
182.15373	1.3
187.28011	0.3
191.07031	4.8
195.06490	0.6
203.06947	0.4
205.08585	3.7
209.08195	0.4
209.16473	0.5
210.14850	1.3
217.08636	0.7
219.10339	0.5
233.08057	7.4
235.09648	3.5
245.08228	0.4
255.01382	0.4
263.38351	0.4
298.73999	0.4
321.07553	0.4
326.28308	0.5
329.10165	1.5
344.12729	0.4
345.19632	0.4
381.13541	0.4
385.12457	0.4
387.14368	11.7
388.14871	0.6
391.66425	0.4
392.46857	0.4
399.14587	0.9
417.15445	24.7
417.41028	0.4
418.15732	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1176
Annotation	Daidzin
Peak:m/z	Relative Intensity
50.75366	0.1
55.05495	0.1
61.02897	0.1
67.01858	0.6
67.05500	0.3
68.99458	0.1
68.99786	0.4
69.03416	0.4
69.07055	0.1
70.06572	0.3
70.20823	0.3
70.21233	0.3
71.04994	0.1
72.08135	0.3
79.05489	0.3
81.03383	0.2
81.07024	0.3
83.08584	0.1
84.08114	0.2
85.02898	0.6
86.09686	0.3
91.05469	0.2
93.07032	0.3
95.04948	0.2
95.08578	0.4
96.08944	0.1
97.02876	0.3
97.64948	0.1
103.05450	0.9
105.03391	0.6
105.07015	0.4
106.07352	0.1
107.04892	0.1
107.08588	0.3
109.02822	0.2
109.10144	0.2
110.09723	0.2
117.07069	0.1
119.08541	0.3
120.08872	0.1
121.10125	0.3
122.10493	0.1
129.03358	0.7
131.05040	0.1
133.10126	0.2
134.10480	0.1
135.11670	0.1
135.99130	0.1
136.11974	0.1
137.09604	0.2
145.04875	0.1
147.04408	0.5
153.01805	3.2
153.66295	0.1
165.01862	0.1
167.07019	1.3
168.50349	0.1
171.02866	0.5
171.04376	0.2
173.05980	0.2
181.04936	0.5
187.07544	0.2
203.03329	0.2
209.05922	0.4
213.05464	0.2
219.19370	0.1
231.06456	0.3
236.20084	0.8
237.20415	1.5
255.06485	100.0
256.06827	4.2
263.07199	0.1
267.06427	0.3
283.05957	0.3
291.06528	0.1
297.07556	0.2
299.05487	0.3
305.08096	0.4
306.08896	0.1
309.07483	0.2
313.03491	0.1
313.06815	0.5
325.07141	0.1
333.07480	0.3
335.08994	0.2
337.06979	0.3
355.08258	0.1
361.10565	0.2
363.08591	0.2
371.08673	0.1
381.09503	0.6
389.09998	0.2
399.10641	0.2
417.09729	1.1
417.15350	0.3
417.26614	0.8
430.75873	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	417.118
Annotation	Isomolludistin
Peak:m/z	Relative Intensity
53.03933	1.1
55.01860	1.6
55.05486	0.8
59.40396	0.8
65.03920	2.0
67.05487	2.0
68.99789	1.9
69.03417	7.5
70.06579	0.8
70.80784	1.5
70.81144	1.9
73.47559	0.6
78.04691	1.7
79.05481	3.2
81.03387	1.6
81.07050	3.5
85.02873	1.0
87.04451	0.9
91.05470	1.6
93.03374	1.9
93.07044	1.3
95.04949	1.9
95.08578	1.3
97.06496	0.9
103.05467	2.2
105.03392	0.9
105.06954	0.8
107.04927	5.8
107.08554	1.3
109.02893	1.2
109.10117	1.3
111.04430	1.1
115.05424	1.2
117.03416	0.8
117.07005	3.5
119.04913	1.7
119.08539	0.9
121.10162	1.0
123.04408	2.6
125.05939	0.9
127.03905	0.8
131.04898	2.0
131.08549	0.9
133.10141	0.8
135.04413	5.6
137.02324	13.6
137.05962	0.7
138.02988	0.8
141.01830	3.0
145.02802	0.9
145.06456	4.1
147.04402	4.3
151.03882	0.9
152.04715	1.2
155.05994	1.0
157.10040	0.9
159.04454	0.9
159.11612	0.7
161.02321	12.1
163.03886	1.7
165.01820	23.8
165.05449	1.1
167.07022	40.2
171.06525	1.0
173.05939	6.3
175.03906	3.9
175.07495	1.0
177.05453	1.0
179.03377	11.3
181.04944	16.2
183.02878	11.9
187.51012	0.9
189.01826	1.3
191.03401	2.2
191.06995	2.4
193.04938	3.3
197.04413	1.2
203.03391	3.3
205.04901	1.2
205.08569	1.2
207.02850	1.8
207.11986	0.7
209.04472	1.6
221.04431	1.5
229.04988	1.2
233.08093	2.3
235.07455	1.0
235.09633	1.6
245.04436	3.4
255.06535	2.7
263.07083	1.5
267.06479	3.8
271.06000	1.4
279.06512	0.9
281.08035	0.9
283.05966	2.7
285.07446	1.6
286.04596	1.9
287.02454	1.4
287.05490	20.4
287.17017	0.7
293.07434	0.9
295.06125	3.3
297.07675	4.0
299.05466	100.0
300.05862	4.8
309.07584	7.7
311.05432	7.4
311.09106	2.1
313.03592	2.4
313.07010	55.9
314.07401	2.8
319.06009	3.1
321.07654	2.0
323.05414	6.3
324.06152	3.3
325.07040	25.1
326.07401	1.4
327.08621	18.3
328.09048	1.2
335.09259	1.4
337.07034	55.8
338.07526	4.2
339.08618	19.0
339.12616	1.4
343.08093	20.5
343.12265	1.3
344.08411	1.5
351.08746	1.0
353.10141	7.7
355.08069	41.5
356.08594	2.2
363.08640	7.3
381.09631	47.2
382.09933	3.3
387.14423	4.9
399.10706	69.6
400.10968	4.4
417.11066	20.0
417.15906	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	417.1177
Annotation	Isomolludistin
Peak:m/z	Relative Intensity
53.03924	1.2
55.01846	1.3
55.05487	1.6
57.07039	0.7
65.03912	1.9
67.05506	2.8
68.03385	0.5
68.99773	1.1
69.03412	2.1
69.07043	1.6
70.08787	2.0
70.09204	0.8
72.08118	1.1
78.04679	1.3
79.01829	1.4
79.05486	4.6
81.03394	0.9
81.07043	5.0
82.04160	0.4
83.04953	1.4
83.08577	0.6
84.08129	0.5
85.02868	1.3
86.06068	2.1
87.06400	0.6
91.05455	2.6
93.03360	1.6
93.07009	1.8
95.04924	1.9
95.08590	3.5
97.02848	0.6
97.06516	0.6
97.10107	0.5
103.05430	1.3
105.03375	0.9
105.07017	2.1
106.04124	1.0
107.04948	3.4
107.08556	2.2
109.02882	0.6
109.06493	0.8
109.10150	2.9
110.03620	1.0
111.04379	1.4
111.08024	0.6
115.05464	2.2
117.07018	3.0
119.04919	0.8
119.08502	2.0
121.10099	1.8
123.04427	4.0
123.08044	0.5
123.11680	0.7
124.05161	1.8
125.05947	1.3
127.08540	0.4
128.06178	0.6
131.04843	1.2
131.08488	0.6
133.10085	1.7
135.04399	3.3
135.11655	1.2
137.01305	0.6
137.02325	8.4
137.05942	1.0
137.09534	0.8
139.07492	0.4
143.08470	0.5
145.06473	4.1
145.10117	0.9
147.04405	0.8
147.08055	0.6
147.11638	0.6
149.05907	0.5
149.09508	0.7
149.13216	0.5
151.03868	1.1
151.07411	0.5
152.04620	1.3
153.12682	0.5
155.05963	1.0
156.05708	0.4
159.07875	0.4
159.11671	1.0
161.02315	1.9
161.13206	0.8
163.03845	0.9
163.07486	0.6
163.11139	0.7
165.01804	2.0
165.09079	4.4
167.07024	50.6
168.07344	1.0
169.04880	0.6
171.06544	1.2
173.04539	0.5
173.05965	6.6
175.03847	0.9
175.11163	0.7
175.14720	0.5
177.05469	0.9
179.03387	4.1
181.04932	18.5
183.02806	1.3
185.27129	0.5
187.03903	0.9
187.07526	0.5
189.12717	0.8
191.03296	1.2
191.06990	2.3
193.04918	1.9
195.06476	0.6
197.04405	0.8
201.05403	1.6
203.03278	1.1
203.06955	1.8
205.08528	1.0
227.07057	0.6
229.04958	2.1
229.19853	0.4
233.08058	4.0
235.09621	1.2
243.06461	0.9
245.07959	0.8
247.06023	1.2
251.06937	0.6
255.06458	0.9
258.05234	0.7
265.08493	0.5
267.06497	6.3
268.07306	0.5
271.05960	1.0
272.06903	0.6
275.05484	0.6
279.06424	1.4
283.05814	0.7
285.07635	0.7
286.04626	1.2
287.05389	2.0
293.08066	1.4
295.05954	2.3
297.07547	5.3
299.05469	24.6
300.06216	3.9
307.09473	0.8
309.07666	2.2
311.05472	29.0
312.05582	1.5
313.07028	54.6
314.07468	3.0
314.10504	0.6
321.07401	1.7
323.05331	1.4
324.06213	4.3
325.07013	7.1
326.07257	0.6
327.08603	28.4
328.08884	1.4
333.07431	0.8
335.08899	0.8
337.07068	5.0
338.07404	0.6
339.08569	2.6
343.07974	3.2
345.07602	0.6
351.08536	1.0
353.06439	0.6
353.10208	7.5
355.08084	37.7
356.08417	2.6
363.08560	3.4
381.09586	13.7
381.14233	0.8
382.09918	1.2
387.14395	6.9
399.10709	32.6
399.32355	0.7
400.11111	2.1
417.11563	100.0
418.11969	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	417.1176
Annotation	Puerarin
Peak:m/z	Relative Intensity
53.03921	1.0
55.01852	1.0
56.33146	0.5
69.03395	0.9
70.06587	3.0
70.29413	2.1
72.08132	1.1
79.01845	5.7
81.03407	2.7
81.07066	3.0
82.07346	0.8
84.04499	4.9
84.08114	1.3
85.02865	2.4
86.09666	1.2
91.05423	0.7
93.03378	1.2
95.04934	1.5
97.02858	0.8
101.68679	0.5
103.05423	2.4
105.03386	15.5
106.64632	0.5
107.01290	0.6
108.08112	1.4
109.02798	1.3
110.07108	0.7
114.05490	0.9
120.08101	0.7
123.04366	0.9
125.02264	0.7
127.03896	0.9
129.03349	1.9
129.10229	0.7
130.04987	4.2
131.04938	1.7
137.05969	10.9
142.04973	2.2
143.03381	0.7
147.04346	1.3
152.90146	0.6
156.06474	1.3
158.08080	0.6
161.05975	1.0
163.03871	1.4
163.07474	2.7
164.01814	0.9
165.01794	1.7
167.03339	1.0
167.06996	1.5
168.06549	0.7
171.02852	1.8
171.04312	0.7
175.03848	0.7
177.05490	1.0
183.02875	2.1
187.03870	0.8
189.05447	0.8
191.03439	1.1
197.05923	2.4
197.61606	0.7
207.02879	0.6
210.11278	4.1
211.07617	2.7
211.09401	0.8
212.08247	1.4
212.11702	0.8
214.40584	0.6
217.04979	4.2
219.02931	0.7
225.05309	0.7
227.06880	2.7
233.04364	1.4
237.12267	4.7
238.12637	1.1
239.06966	6.1
239.12927	1.5
240.07787	11.0
243.02826	1.4
243.06583	3.5
251.06972	1.1
252.07785	1.2
255.06450	3.7
260.93600	0.6
261.03922	5.2
267.06497	82.3
268.07248	43.3
269.07883	5.5
279.06519	16.3
280.06943	1.4
281.08057	19.1
282.05292	0.7
282.08353	1.4
291.06650	1.0
292.07248	4.9
293.08063	6.8
295.06042	3.7
295.09222	0.8
296.06833	0.7
297.07547	100.0
298.07849	4.0
305.08078	0.7
307.06049	3.4
307.09558	22.6
308.06598	0.9
308.09857	0.8
309.07516	6.6
311.09109	2.0
314.13522	0.8
317.08102	0.7
321.07532	26.6
322.07904	1.8
327.08578	5.5
333.07559	1.7
335.09085	6.2
339.08652	2.1
345.07547	1.0
351.08609	21.0
352.08826	1.1
355.37213	0.7
355.56155	0.6
363.08621	10.7
364.08539	0.6
381.09668	34.8
382.10037	2.0
399.10724	47.5
400.11130	2.2
417.11771	62.6
418.12302	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1176
Annotation	Molludistin
Peak:m/z	Relative Intensity
61.02909	1.2
65.03918	1.1
68.99779	1.8
69.03424	17.4
70.06561	1.5
71.49501	1.6
79.05458	0.7
85.02870	0.8
91.05448	1.7
95.98010	0.8
104.73982	0.7
107.04916	1.4
111.04405	1.6
113.10300	0.7
114.62432	0.7
119.04931	3.8
121.02066	1.4
121.02862	17.9
121.03748	1.3
131.04901	1.5
135.04384	2.2
141.01802	2.0
145.02834	4.6
145.06468	1.6
149.02266	2.4
153.01912	1.2
163.03893	7.3
165.01819	13.4
167.03407	5.9
167.07016	4.8
171.04372	1.0
173.05954	1.3
177.01811	1.9
179.03378	1.2
181.04892	3.1
183.02893	5.7
187.03922	1.7
189.05424	1.1
191.03329	2.3
195.02899	2.3
199.03969	0.9
203.03375	2.0
203.06923	0.8
217.04890	2.6
229.04945	3.2
239.06999	2.6
242.05650	1.0
245.04517	2.3
255.06596	1.8
256.07327	1.3
267.06506	10.5
270.05206	7.4
271.05963	9.9
273.03912	2.3
279.06555	1.7
281.08057	9.9
283.05981	65.4
284.06693	15.9
285.07416	1.6
292.07288	1.7
293.08008	1.6
294.05240	1.9
295.05957	17.9
296.06189	0.7
297.04181	1.4
297.07486	8.8
307.06049	1.3
307.09616	2.2
308.06519	0.8
309.04031	1.6
309.07526	25.6
310.07883	1.9
311.05634	1.6
311.09100	4.3
313.07031	96.8
314.07233	5.3
319.09537	2.2
320.06555	1.3
321.07547	9.6
323.05371	2.2
325.06982	0.9
325.10574	0.9
335.09106	21.1
336.09418	0.9
337.07022	42.9
338.07501	2.1
339.08530	2.8
345.07498	3.9
353.10117	1.3
363.08585	55.1
364.08926	3.9
381.09653	100.0
382.09933	7.5
399.10721	9.4
400.11075	1.0
417.11292	4.5
433.88672	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1175
Annotation	Puerarin
Peak:m/z	Relative Intensity
51.22526	0.2
53.03912	0.5
55.01846	0.9
55.05483	0.2
57.03403	0.7
61.02908	0.4
68.99784	0.9
69.03393	0.6
70.06595	1.1
71.30154	0.3
72.08118	0.7
73.02888	0.4
81.03403	1.0
84.04462	0.2
84.08089	0.7
85.02886	1.9
86.09705	1.0
91.05431	0.7
92.99714	0.6
93.06991	0.2
95.04939	0.6
97.02900	1.0
99.04427	0.2
103.03896	0.6
103.05440	1.0
104.20660	0.2
105.03381	5.0
105.07019	0.2
107.04920	0.4
108.37483	0.2
109.02836	0.9
110.07131	0.4
115.05438	0.4
119.04910	0.3
120.08060	0.3
121.02868	1.0
123.00793	0.3
127.03891	0.3
129.03351	2.2
131.04909	0.5
132.20636	0.2
133.02844	0.4
135.04372	0.5
135.07910	0.2
137.02303	0.7
141.01820	2.1
141.19684	0.2
145.02821	0.3
146.06065	0.2
147.04390	1.5
149.02319	1.5
153.01794	0.3
159.04358	0.4
163.00230	0.2
163.03917	1.3
165.01825	8.4
166.02112	0.2
167.02046	0.3
167.03386	4.6
167.07095	0.3
167.08464	0.3
171.04361	0.3
175.03859	0.3
177.01807	0.9
177.05502	0.3
179.03421	0.3
181.04907	1.5
183.02876	6.4
187.03922	1.2
189.01863	0.5
191.03380	0.7
195.02832	1.3
195.08011	0.4
205.04897	0.9
205.06560	0.3
207.02892	0.4
211.07712	0.3
213.05508	1.4
215.03351	0.4
223.07544	1.6
226.06224	0.5
231.06549	0.3
233.04416	0.5
237.09132	0.4
239.07016	1.4
240.07800	0.7
243.02908	0.5
250.06233	0.4
251.06999	10.0
252.07443	0.7
254.05725	2.5
255.06508	7.6
256.06882	0.5
257.04391	0.5
261.03986	0.7
261.08890	0.3
263.07043	1.5
265.08566	8.8
266.08853	0.3
267.06491	100.0
268.07095	13.1
269.07819	1.0
275.06924	0.3
277.08578	0.9
278.05673	0.6
279.06528	11.8
279.10037	1.9
280.06927	0.5
281.04465	0.8
281.08054	2.8
289.08563	3.1
291.06561	2.1
292.07220	2.2
293.04550	1.8
293.08023	21.0
294.08481	1.2
295.06024	1.1
295.09094	0.3
297.07547	59.5
298.07883	3.9
304.07190	0.4
305.08041	2.6
306.08682	0.2
307.06149	0.7
307.09589	12.0
308.09872	0.6
309.07559	0.6
317.08063	4.0
319.06021	0.8
319.09464	0.3
321.07547	34.0
322.07898	2.2
333.07544	10.8
334.07883	0.5
335.09106	2.5
345.03210	0.4
345.07556	9.6
346.07953	0.8
351.08597	16.4
352.08902	1.3
363.08597	17.9
364.08917	1.5
381.09647	14.3
382.10056	1.1
399.10699	6.6
400.10928	0.4
417.11633	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1175
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03918	0.3
55.01859	0.7
56.09041	0.1
57.03428	0.9
58.42759	0.1
61.02895	0.3
62.27259	0.1
63.46978	0.1
65.03906	0.3
67.05483	0.2
68.99431	0.2
68.99763	0.8
69.03391	0.3
70.25724	0.2
70.26128	0.3
73.02914	0.3
74.55010	0.1
76.88684	0.1
77.03918	0.1
79.05485	0.2
81.03404	0.9
85.02893	1.6
86.86091	0.1
91.05479	0.6
92.99740	0.3
93.03382	0.3
94.57201	0.1
95.04957	0.5
97.02350	0.1
97.02892	0.8
97.03411	0.2
103.03944	0.6
103.05439	0.9
105.03383	4.4
107.04912	0.3
109.02869	1.1
115.05408	0.1
119.04906	0.2
121.02859	1.2
123.00019	0.1
123.00839	0.3
123.04413	0.2
127.03934	0.1
129.02455	0.2
129.03354	2.4
131.04865	0.1
133.02817	0.3
135.04366	0.3
137.02286	0.4
141.01830	1.7
145.02818	0.3
147.04399	1.7
149.02327	1.7
149.33679	0.1
153.01814	0.2
153.03229	0.1
159.04390	0.2
163.00285	0.1
163.03900	1.2
165.01820	9.1
165.06909	0.2
166.02164	0.4
167.03384	3.9
167.04796	0.2
167.07053	0.4
167.08466	0.2
168.03735	0.1
169.02827	0.3
171.04343	0.3
173.02313	0.1
175.03856	0.3
177.01819	1.0
177.05397	0.2
178.07797	0.1
179.08499	0.1
181.04939	1.1
183.02879	4.4
184.03304	0.2
187.03914	0.9
189.01825	0.4
190.99680	0.2
191.03400	0.8
195.02881	0.8
195.08018	0.2
197.00800	0.1
197.05914	0.1
203.03337	0.2
205.04884	0.6
207.02870	0.4
211.07542	0.2
212.08186	0.2
213.03603	0.1
213.05495	1.4
215.03297	0.5
215.08649	0.1
221.04346	0.2
223.07556	1.6
225.09038	0.1
226.06218	0.7
231.02863	0.1
231.06433	0.2
233.04388	0.6
237.09106	0.3
239.06990	1.1
240.07773	0.7
243.02826	0.7
247.07478	0.3
250.06116	0.3
251.07004	10.2
252.07330	0.6
253.04947	0.2
253.08575	0.1
254.05710	2.7
255.06490	6.0
256.06952	0.3
257.04291	0.5
261.03851	0.6
261.09158	0.4
263.06958	1.2
264.07614	0.3
265.05173	0.5
265.08572	8.1
266.05777	0.2
266.08902	0.4
267.06485	100.0
268.07098	12.4
269.07837	0.9
273.09073	0.3
275.06985	0.4
276.07565	0.1
277.08652	1.0
278.05640	0.7
279.06479	11.4
279.10043	2.2
280.06866	0.8
280.10379	0.1
281.04428	0.8
281.08057	2.3
282.08203	0.1
287.06430	0.1
289.08551	3.1
290.08948	0.2
291.06512	2.3
292.07245	2.2
293.04535	1.6
293.08017	21.3
294.05304	0.2
294.08478	1.3
295.06036	0.9
296.06625	0.1
297.07538	64.1
298.07880	3.7
304.07361	0.4
305.08054	2.6
305.11285	0.2
306.08560	0.2
307.09601	13.0
308.09988	1.0
309.07550	0.7
317.08069	3.8
318.08481	0.3
319.05963	0.6
319.09375	0.2
320.06558	0.1
321.07532	33.6
322.07861	2.2
333.07529	10.7
334.07916	0.8
335.09079	2.9
336.09586	0.2
339.08591	0.2
345.07538	10.2
346.07901	0.9
351.08594	15.6
352.08862	1.0
363.08591	16.1
364.08920	1.1
374.69766	0.1
381.09644	14.1
382.09915	0.9
399.10721	5.8
400.11075	0.5
417.11734	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1176
Annotation	Isomolludistin
Peak:m/z	Relative Intensity
53.03914	0.3
55.01844	0.5
55.05473	0.9
56.05014	0.3
57.03427	0.2
61.61528	0.2
65.03896	0.4
67.05458	0.7
68.99751	0.9
69.03423	1.9
69.07030	0.4
69.89770	0.6
69.90197	0.6
70.06585	2.0
71.04964	0.4
72.08150	2.1
74.06023	0.3
76.92834	0.2
79.01847	1.6
79.05444	0.9
81.03384	0.6
81.07039	0.4
81.99448	0.2
83.04944	0.5
83.30019	0.2
84.04448	0.5
84.08090	0.6
85.02861	0.7
85.06470	0.3
85.65891	0.2
86.09699	4.5
89.03889	0.4
91.03905	0.2
91.05446	0.6
93.03403	1.7
93.07001	0.5
95.04951	1.0
95.08566	0.4
97.02864	0.4
98.20738	0.3
99.04431	0.3
103.05412	0.3
105.03351	0.5
105.06996	0.5
107.04946	1.4
107.08556	0.4
109.02865	0.8
109.06480	0.4
109.10125	0.5
110.07126	0.3
111.04455	1.1
111.08035	0.2
112.44305	0.2
115.05429	0.2
117.03341	0.8
117.06998	0.4
119.04870	0.3
119.08533	0.3
120.08063	0.4
121.02845	0.4
121.06424	0.2
121.10072	0.5
123.04385	0.6
127.03886	0.5
129.10167	0.3
131.04895	0.6
133.10062	0.3
135.04410	3.5
136.05038	0.2
136.07504	0.3
137.02333	9.1
137.03339	0.5
137.05869	0.2
137.09604	0.2
138.02667	0.3
141.01781	0.4
143.08173	0.3
145.06395	0.6
145.09837	0.2
147.04343	0.6
149.02325	0.3
151.03828	0.3
159.11345	0.3
161.02318	1.9
161.05930	0.5
163.03897	1.2
165.01810	2.2
167.03412	0.3
167.07031	2.9
169.04921	0.5
173.05991	0.9
173.09241	0.2
175.03856	0.6
177.01828	0.6
177.05429	0.7
178.02477	0.2
179.03363	4.0
181.04863	0.8
183.02928	1.9
185.06003	0.4
187.03915	0.4
189.01781	0.5
191.03374	1.0
193.05008	1.8
197.04457	0.7
201.05429	0.8
201.12448	0.4
203.03387	1.0
203.06966	1.6
205.04884	0.5
207.02855	0.2
213.09999	0.2
215.06961	0.2
219.02856	0.7
219.06401	0.4
227.06982	0.4
229.04947	2.7
230.05571	0.2
233.08336	0.3
237.18214	0.3
243.06454	0.3
245.04422	0.4
245.08057	1.1
247.06078	1.8
250.06154	0.3
255.06493	0.2
258.05200	0.8
267.06451	0.4
271.05991	1.1
272.06790	0.6
273.03998	0.4
275.05469	0.6
278.05841	0.3
279.06543	0.5
281.04413	0.5
283.06107	0.3
284.06595	0.4
285.07587	1.3
286.04642	1.5
287.05481	2.8
295.06012	1.8
296.06644	0.7
297.07626	1.1
299.05475	28.0
300.02960	0.4
300.06128	3.7
302.04355	0.4
309.07550	2.2
310.08145	0.2
311.05466	29.8
312.05905	1.8
313.07028	60.2
314.07346	3.1
315.05118	0.4
321.07623	0.4
323.05389	1.7
324.06256	4.2
325.07010	7.9
325.10876	0.5
326.07520	0.9
327.08591	32.8
328.08932	1.7
335.08914	0.3
337.07047	6.0
338.07736	1.1
339.08624	3.2
340.08951	0.2
343.08069	3.1
351.08658	0.3
353.06238	0.3
353.10159	6.9
354.10330	0.4
355.08093	41.0
356.08350	2.1
363.08569	1.1
381.09677	13.3
382.09967	0.7
389.10434	0.3
399.10736	31.9
400.10941	1.6
417.11755	100.0
418.12067	6.2
418.17813	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.3644
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05492	3.8
69.07034	1.6
70.10108	2.5
70.10509	5.1
77.13799	1.3
78.86770	1.3
79.05496	1.6
81.07078	1.7
94.07789	2.0
95.08595	6.3
98.21420	2.9
99.56691	1.4
101.61801	1.3
105.06995	1.8
107.04936	8.7
119.08585	2.1
122.07262	17.5
123.08065	10.9
135.08038	5.8
137.05927	1.4
150.06746	50.5
151.07524	100.0
152.08250	5.0
159.07982	1.4
163.07587	3.6
163.11224	1.7
164.08267	2.0
173.09669	1.5
177.09082	1.9
191.09041	2.3
191.10658	26.5
242.28262	1.3
254.41869	1.4
290.90402	1.4
415.63113	1.3
416.36438	90.3
417.36829	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	417.1175
Annotation	Bayin
Peak:m/z	Relative Intensity
52.95291	0.3
55.01860	0.7
57.03414	0.5
57.25342	0.4
65.19423	0.4
68.99769	1.0
69.03395	0.4
71.10927	0.4
71.11262	0.7
81.03397	0.9
85.02859	1.3
86.10672	0.5
91.05437	0.5
95.04934	0.7
97.02855	0.5
103.03918	0.7
103.05439	0.9
105.03377	5.1
107.04893	0.5
109.02831	0.8
121.02818	1.2
129.03395	2.4
132.14819	0.4
135.04367	0.7
137.02277	0.5
141.01764	1.8
141.37506	0.4
145.02893	0.6
147.01759	0.3
147.04422	1.9
149.02289	1.8
161.35680	0.4
163.03835	1.4
165.01828	9.6
167.03384	3.6
170.86984	0.4
177.01772	0.9
177.05461	0.6
181.04889	1.2
183.02859	4.7
187.03857	1.3
191.03366	1.3
195.02855	1.0
195.30354	0.4
205.04910	0.6
213.05432	1.8
215.03345	0.5
223.07619	1.7
233.04350	0.7
237.08972	0.4
239.06897	1.6
240.07788	0.8
243.03000	0.5
251.06998	12.0
254.05728	3.0
255.06519	6.5
257.04584	0.5
263.06985	1.9
263.09470	0.4
264.07657	0.4
265.04636	0.4
265.05579	0.7
265.08600	8.6
267.06500	100.0
268.07156	11.9
269.08096	1.1
277.08533	0.8
278.05878	0.4
278.55054	0.4
279.06482	12.1
279.10037	2.4
281.04913	0.6
281.08026	2.3
289.08490	3.1
291.06512	2.7
292.07373	1.9
293.04465	1.7
293.08023	21.1
294.08380	1.3
295.06000	1.0
297.07556	67.2
298.07886	3.7
299.05414	0.7
305.08032	3.2
307.06122	1.0
307.09595	12.9
308.10056	0.8
313.36911	0.5
317.08099	3.4
319.05994	0.8
319.09506	0.4
321.07547	32.2
322.07919	1.9
329.06421	1.6
333.07532	11.7
335.09064	2.6
345.07538	10.0
346.07797	0.9
351.08612	18.8
352.08994	1.4
363.08600	18.6
364.08807	1.1
381.09674	15.2
381.13336	0.3
382.10187	0.7
399.10703	8.0
400.10364	0.5
417.11749	2.4
430.92941	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.2639
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03911	1.4
53.25106	0.9
55.01871	0.7
55.05515	4.3
56.04998	2.4
57.03404	1.6
58.06570	2.0
61.02901	1.7
65.03926	0.8
67.05502	4.8
69.03425	4.2
69.07066	3.9
69.42971	6.9
69.43391	1.7
70.06583	6.5
71.04969	1.1
71.39072	0.7
72.08131	1.3
79.05487	4.0
81.03384	2.8
81.07043	5.8
82.06561	1.6
82.07372	0.8
83.04936	1.2
83.08584	2.3
84.04475	1.2
84.08096	2.6
85.02900	7.1
86.09658	1.9
91.03899	0.9
91.05467	2.7
93.07034	8.5
95.04924	2.9
95.08598	14.1
96.05261	1.6
96.08089	2.6
97.02850	3.3
97.06506	1.1
97.10165	1.1
98.09662	2.2
99.04414	1.1
103.05443	1.8
105.03337	1.4
105.07013	8.7
107.08584	11.0
108.08062	2.0
109.02834	1.3
109.10150	6.5
110.09663	5.6
115.05390	0.7
117.06970	0.8
119.08575	11.7
120.08908	1.0
121.02760	0.7
121.06455	0.7
121.08855	0.7
121.10129	10.4
122.09609	1.7
123.08006	1.1
123.11674	2.7
125.09580	1.1
127.03908	2.3
129.03371	1.0
131.08536	1.4
133.10120	8.0
135.11684	6.3
136.11176	1.8
137.09608	6.6
137.13196	2.0
139.11099	1.1
145.04927	1.6
147.11652	2.1
149.13211	1.6
152.14371	0.9
153.01772	3.5
159.11664	1.1
161.13205	5.3
165.01776	1.1
167.07016	4.4
173.06033	0.9
175.14844	5.8
177.16382	5.4
179.14293	1.0
180.13783	1.1
181.04909	1.7
187.04057	0.9
192.17375	1.3
193.15831	3.4
203.03342	1.7
204.08618	0.9
210.18449	3.6
218.19003	7.2
222.09612	1.7
236.20068	87.3
237.20456	4.3
254.21179	5.0
255.06499	100.0
282.08313	1.2
283.06000	2.6
284.06354	8.5
295.05887	0.8
296.06308	1.7
299.05447	2.6
305.08093	2.5
306.04626	0.7
306.08600	1.2
310.07983	2.1
313.06879	2.0
321.07584	1.0
333.07474	1.7
335.09140	0.9
337.07101	2.1
338.07489	2.8
355.08157	0.9
362.07333	1.1
363.08749	1.5
368.08423	1.3
380.08627	1.8
381.09729	2.0
389.10229	1.7
398.09259	1.9
399.10855	1.5
416.10587	1.6
416.26407	30.2
417.09262	5.8
417.26611	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.2638
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80545	5.6
55.05502	8.4
57.07059	17.5
58.73977	6.3
59.47752	5.7
67.05486	30.7
69.07061	12.4
70.50998	25.5
71.15854	8.1
71.98776	6.3
79.05483	13.0
81.07032	26.5
83.04967	10.4
83.08615	7.9
85.08556	6.3
85.10170	49.5
91.05461	22.4
93.07038	10.1
95.08590	25.0
97.88335	6.5
105.06993	12.1
107.04941	21.9
113.09632	54.3
119.08590	40.9
120.08903	19.7
133.10144	7.5
147.11688	17.6
149.09673	7.9
163.11134	6.5
165.12732	59.2
275.20242	9.7
277.21585	64.4
295.22684	100.0
296.23251	8.2
420.59991	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	416.2639
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	2.3
55.01867	13.7
55.05508	13.4
57.07055	1.9
67.05501	14.6
69.03412	2.5
69.07057	8.4
69.82599	5.2
69.83037	5.0
71.08617	3.9
79.05483	10.6
81.03400	6.5
81.07052	20.1
83.04972	6.8
83.08606	16.1
85.10170	4.6
87.00802	3.2
91.05469	13.7
93.06522	1.5
93.07038	14.7
95.04937	5.0
95.08589	13.9
97.06487	5.1
97.10148	2.8
105.07016	13.2
107.04940	1.5
107.08582	10.0
109.06500	2.7
109.10108	7.3
111.08073	23.1
113.09626	5.7
117.06998	1.6
119.08582	15.1
120.08886	5.6
121.10121	7.6
123.08028	1.9
123.11668	2.3
129.07004	2.5
131.08559	3.2
133.10107	9.6
134.43935	1.6
135.11665	4.1
139.11177	5.1
143.08531	1.9
145.10165	2.1
147.11655	8.3
149.09564	3.5
149.13232	4.5
151.11142	7.3
153.12723	1.8
157.10103	1.4
161.13237	3.4
163.11174	2.3
165.12752	19.4
175.11156	3.0
179.14229	2.3
209.32852	1.8
231.21101	2.7
241.19453	2.6
249.22147	2.2
259.20535	4.4
260.20956	1.8
277.21594	91.1
278.21857	3.8
295.22650	100.0
296.23068	6.9
345.20837	2.3
363.21689	4.9
381.22675	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	416.25
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	4.1
56.05021	0.9
57.03426	0.9
60.04522	0.8
60.50463	0.7
67.05513	0.9
69.03403	2.0
69.07069	2.0
70.02954	4.3
70.06580	9.3
71.72546	1.3
72.08147	19.1
81.03433	1.5
81.07040	1.2
82.06569	0.9
84.04494	2.8
84.08139	3.0
85.02899	3.0
86.09698	100.0
87.05580	27.8
87.10030	1.0
88.04001	1.1
91.05439	1.2
96.08176	1.2
97.02897	1.4
98.02408	3.4
98.09659	0.9
99.09209	3.7
107.04887	0.9
108.70347	0.9
109.02893	1.0
110.02380	3.9
110.07196	1.0
116.07093	2.9
118.08649	3.2
119.32238	0.8
120.08106	1.6
121.06463	0.9
123.04430	0.9
124.07583	1.4
127.03942	0.8
127.08659	13.7
129.10263	1.9
130.06534	1.0
141.10211	3.0
143.11809	1.3
145.04929	1.3
147.04417	1.0
151.03871	1.1
152.07062	26.9
155.08171	1.8
157.12053	2.0
157.13353	39.5
167.06944	1.4
169.09784	2.2
173.09221	10.2
175.07529	1.1
177.07039	0.8
183.11259	1.2
185.11131	0.7
185.12820	20.2
186.12346	7.9
187.10817	3.0
196.09789	1.0
197.09074	1.1
198.07596	19.9
214.11852	5.4
215.10255	22.3
228.13452	5.1
229.11850	0.9
232.12907	40.0
254.15184	1.1
271.17331	0.9
288.97833	1.0
299.17148	8.9
300.15485	12.2
313.22348	1.0
345.21280	1.4
355.19525	1.6
371.22931	0.9
398.23892	1.3
399.11249	1.2
399.22226	0.9
416.19864	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.2463
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16947	1.1
52.10117	1.0
53.03946	3.1
55.01852	2.2
55.05505	11.5
57.07058	2.5
58.99570	1.6
65.03936	3.5
67.05499	28.5
68.05825	1.2
69.03423	3.7
69.07063	17.4
70.06558	2.1
71.04971	3.2
72.08148	1.6
76.02219	2.3
78.04681	1.7
79.05016	1.9
79.05485	33.2
80.05791	1.0
81.03402	2.2
81.07047	37.8
82.07408	1.8
82.31570	0.9
83.04970	3.1
83.08601	6.6
84.08105	1.7
85.02900	2.3
85.06535	2.1
88.03942	1.0
91.05472	22.0
93.07037	48.7
94.07362	2.2
95.04971	5.7
95.08603	25.6
96.08943	1.7
97.06525	4.4
97.10152	3.6
99.08096	1.0
100.11244	1.1
103.05486	1.9
105.07020	18.1
106.04175	1.1
107.04943	4.3
107.08583	33.8
109.06483	4.9
109.10136	12.7
111.02645	1.9
111.08049	1.3
113.04189	1.9
115.05440	3.2
117.06991	9.5
119.08563	14.6
121.06489	1.8
121.10138	17.9
122.02715	7.4
122.10456	1.1
123.04412	6.2
123.08050	3.9
123.11709	2.9
124.05196	1.8
125.04182	1.2
125.05981	1.7
125.09622	2.2
129.06999	4.5
131.04924	1.2
131.08569	6.3
133.06508	1.1
133.10121	11.3
135.04431	1.1
135.08061	3.4
135.11676	21.4
136.12009	1.5
137.05949	2.4
137.09634	1.4
137.13292	1.2
143.08528	3.0
145.06471	8.2
145.10095	7.1
147.04482	1.2
147.08008	2.1
147.11646	11.2
149.09595	2.1
149.13240	15.2
151.03888	1.5
151.07535	10.2
152.04715	1.9
152.07883	3.3
155.06000	1.9
157.10124	3.7
159.11702	4.3
161.13252	6.6
163.07587	2.6
163.11185	3.0
163.14836	3.8
164.07904	1.1
165.09174	1.9
167.07024	72.2
171.06500	2.2
171.11653	3.8
173.05937	10.8
173.13280	4.5
175.07448	0.9
175.11295	1.1
175.14844	2.6
177.12654	1.3
180.13849	1.6
181.03322	1.4
181.04944	29.1
185.13249	3.5
187.11086	1.1
191.07050	4.1
199.14819	2.4
205.08597	2.5
206.15388	4.8
207.13849	3.0
209.15268	1.2
213.16333	2.0
221.15416	4.0
224.16452	2.5
233.08110	5.4
235.09660	2.8
235.16847	2.0
241.19566	4.2
255.47412	1.2
259.20532	11.0
267.06433	1.9
272.18646	1.0
275.20108	3.0
277.21603	100.0
278.21930	3.0
283.10800	2.8
291.17706	3.1
295.22693	3.0
297.07791	1.1
301.11859	3.0
309.18704	7.4
313.06995	1.1
319.12851	1.9
328.15610	1.7
342.24655	1.0
352.23029	1.7
380.22403	2.7
381.20914	2.6
387.14410	11.0
398.23544	11.4
399.22302	1.6
416.24387	3.0
416.32700	2.5
417.15469	17.4
417.20557	1.3
417.71976	1.1
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
53.03924	3.7
55.01877	6.2
55.05481	1.3
57.03435	6.7
58.13710	1.2
61.02912	4.5
68.99787	2.9
69.03423	36.7
70.06574	3.7
70.56213	4.8
71.04984	3.1
73.02904	5.1
81.03403	20.3
84.08139	1.5
85.02895	100.0
86.03237	1.6
86.09718	2.4
87.00327	2.6
87.00817	35.5
91.04919	2.0
91.05467	25.9
95.10104	1.4
97.02885	28.3
97.03467	2.1
99.04446	12.6
105.01855	69.9
107.04951	1.5
108.04452	3.5
109.02862	28.4
126.05492	2.5
127.03899	73.8
129.01808	2.4
133.10104	4.1
137.05948	2.3
145.04942	30.5
146.04538	1.6
147.02898	1.9
150.60121	1.3
159.02881	11.7
167.07060	10.0
167.08260	1.6
181.04955	5.0
189.03918	4.4
213.03899	4.2
231.04990	25.8
249.06012	5.5
267.06360	1.4
297.07397	1.2
387.14380	1.6
417.15469	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	416.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	4.3
57.03428	5.2
57.93196	1.7
60.04498	2.0
61.02908	8.9
69.03421	15.8
70.06584	5.9
71.04976	3.4
71.73669	3.1
72.08142	7.0
73.02895	4.0
81.03398	5.0
84.04491	2.4
84.08133	8.0
85.02896	100.0
86.09709	5.1
87.04443	2.2
91.03948	5.3
93.85149	1.8
95.04900	2.1
97.02883	27.4
99.04436	5.2
107.04938	11.9
109.02878	8.9
115.03854	3.0
119.04935	2.8
127.03907	30.2
129.10226	5.8
135.04425	3.5
145.04950	58.0
147.04401	6.3
152.07048	14.2
160.07545	3.0
163.03914	4.0
163.05995	17.6
178.08556	3.1
188.07095	4.8
190.08609	2.4
206.08122	4.4
212.12737	1.8
237.13362	2.6
285.23013	2.0
365.07120	2.4
400.52863	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.1009
Annotation	Unknow
Peak:m/z	Relative Intensity
53.27739	0.6
56.96550	1.2
57.03401	0.9
59.25803	0.7
59.59252	0.6
61.02926	0.7
69.03428	3.2
70.06599	3.2
71.07299	1.6
72.08128	2.2
73.02893	1.0
81.03404	1.7
81.96915	0.6
84.04482	2.0
84.08105	2.1
85.02906	5.2
86.09673	0.9
87.04447	0.8
93.11036	0.7
97.02876	1.7
101.02375	1.0
107.04964	3.9
117.06971	0.6
119.04942	0.8
122.05975	0.8
123.04387	0.7
133.05200	0.7
135.04364	1.2
136.02113	1.5
143.05002	0.7
145.06415	0.8
146.05962	0.8
147.04376	1.8
150.03838	0.9
150.05455	0.7
160.07448	0.7
163.03874	2.8
164.01668	3.2
164.07074	1.3
165.02428	45.3
166.03226	13.2
178.03137	1.1
178.08511	0.7
179.04019	2.4
180.32040	0.7
182.02705	7.1
188.07077	2.0
189.05441	1.0
192.04712	1.0
192.10292	0.7
206.08229	1.1
208.04262	57.5
209.04587	0.8
254.04807	100.0
255.05067	2.2
255.11032	0.8
376.98621	0.7
401.67139	0.8
416.10071	57.3
417.10608	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.1545
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02403	1.8
53.03928	5.5
55.01862	4.2
55.05506	2.8
57.03440	3.0
59.04230	1.5
60.04519	10.5
61.02918	3.6
65.03929	4.8
69.03424	15.8
69.46779	1.6
70.06586	32.9
70.81487	1.9
70.81832	5.1
70.82676	1.7
71.05001	2.7
72.08144	17.8
73.02907	4.2
77.03964	1.8
79.05474	14.4
81.03406	25.5
81.07042	6.2
84.08131	6.3
85.02895	30.1
86.09694	12.1
87.00800	12.4
88.86877	1.7
90.99949	1.8
91.05473	63.0
91.53345	1.8
94.06566	4.3
95.04958	7.8
97.02888	11.2
99.04453	7.4
105.01865	8.0
105.07020	18.2
106.06544	7.1
106.07214	1.8
107.04944	97.1
109.02874	16.4
109.06512	13.4
110.06010	2.1
110.07182	2.6
111.04423	2.8
112.08731	3.7
112.71893	1.9
115.05434	5.2
117.01830	2.9
117.05750	10.0
120.08092	43.9
121.06487	2.5
122.09673	6.0
127.03897	25.2
129.10269	2.6
130.06529	4.3
132.08075	100.0
133.06482	17.9
145.04959	7.6
149.06013	2.1
150.09132	87.1
152.10564	2.5
159.02896	9.7
168.10155	11.5
173.03145	1.9
189.03903	2.1
231.04959	3.7
280.45322	2.1
310.27060	2.0
312.14154	2.2
398.14539	3.9
416.15430	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	415.3567
Annotation	13Z,16Z,19Z,22Z,25Z-octacosapentaenoic acid
Peak:m/z	Relative Intensity
55.05498	15.1
57.07064	21.4
60.88876	5.2
65.59669	5.2
67.05508	9.5
69.07056	17.9
70.92612	18.4
71.08620	9.7
79.05488	13.7
81.07056	31.0
83.08617	19.1
88.72868	6.8
91.05485	7.8
93.07018	16.4
95.08573	44.8
97.06550	6.2
97.10166	18.6
105.07027	20.5
105.86997	6.3
107.08589	21.1
109.06454	5.5
109.10148	17.2
111.11638	6.1
118.77931	6.1
119.08561	20.5
121.10107	15.3
123.11725	12.1
131.08536	11.1
133.10135	16.3
135.11728	19.2
145.10051	12.6
147.11697	13.2
149.09544	6.5
149.13248	7.2
157.10124	11.5
159.11725	18.0
175.11180	31.4
185.13252	10.4
192.43349	6.4
229.15894	6.6
378.59531	6.5
397.34668	31.2
415.35660	100.0
416.35739	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	415.2241
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.9
55.05506	14.1
57.03422	8.1
57.07062	3.4
65.03944	2.3
67.05499	50.1
69.07058	12.4
70.46706	2.2
70.47052	5.1
71.08633	1.8
76.46836	1.8
79.05488	41.2
79.05923	3.0
81.07047	59.5
83.08614	5.8
91.05448	24.1
93.07035	59.5
95.04965	4.2
95.08598	51.0
97.06548	3.2
97.10194	3.2
98.98459	74.2
99.08101	3.4
105.07009	19.3
107.08582	42.0
108.11479	1.7
109.10139	17.8
111.08073	3.0
116.99498	1.6
117.07008	10.9
119.08574	26.5
120.08850	1.6
121.10139	36.4
121.10974	3.0
123.08057	2.8
123.11700	8.7
131.08539	22.7
133.10115	15.4
135.11668	32.7
137.09607	2.5
137.13239	4.7
145.10120	19.7
147.11662	13.4
149.09599	2.0
149.13248	27.6
151.11195	2.4
151.14859	2.6
155.01028	86.1
159.11659	16.1
161.13235	11.1
163.14806	17.7
165.12788	3.6
173.13252	18.0
175.14796	2.9
177.12810	1.6
177.16422	5.2
179.14348	3.0
187.14836	11.0
189.16515	1.9
201.16351	3.7
233.22675	6.4
243.21063	35.8
261.22122	100.0
262.19910	1.5
262.22485	4.4
289.14163	1.6
415.22403	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	415.2841
Annotation	bis-Norstriatol
Peak:m/z	Relative Intensity
58.72911	0.9
61.25359	0.9
67.05505	0.9
69.03455	0.9
69.07066	13.6
70.73825	3.1
79.05499	1.5
81.07051	10.0
83.01340	2.9
89.15096	0.9
91.05486	2.1
93.07043	1.1
95.08593	2.7
101.87213	0.9
107.08577	1.1
109.06511	1.2
109.10122	0.9
119.08585	1.9
121.06525	2.8
121.10116	1.2
131.08556	1.9
135.08054	4.2
137.05975	1.0
137.09720	0.9
137.13318	1.8
137.94527	0.8
149.09605	4.5
153.05467	4.5
159.08012	4.0
162.06754	6.6
163.07527	6.7
165.05457	31.4
166.05817	1.5
167.07033	7.7
177.09106	14.0
181.08607	0.9
187.07523	3.9
205.08583	73.0
206.08925	2.7
207.10182	1.8
219.10249	1.2
221.11740	8.4
223.09633	100.0
224.10001	3.4
233.11710	1.1
237.11232	1.0
283.63745	0.9
289.17932	18.5
291.15973	2.8
347.22171	10.0
415.28589	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	415.2111
Annotation	19-Oxodesacetylcinobufagin
Peak:m/z	Relative Intensity
53.03937	6.0
55.01874	17.4
55.05273	1.8
55.05511	24.3
56.22948	1.7
57.03413	4.2
57.07068	2.3
59.04977	1.8
65.03938	4.5
65.18661	1.4
67.01918	1.5
67.05504	37.3
69.03419	7.6
69.07066	15.6
69.49538	1.6
71.01324	2.0
71.04984	2.9
71.38071	2.6
71.38392	1.6
77.03912	1.6
79.05486	27.5
81.03411	8.1
81.06605	2.6
81.07054	34.9
83.04965	5.0
83.08609	5.1
85.02895	5.4
91.05477	32.6
93.03394	1.8
93.07042	19.0
95.04971	9.2
95.08598	17.3
97.02889	2.9
97.06511	6.4
97.10161	3.6
103.05460	6.4
105.07043	19.6
107.04939	8.4
107.08580	9.5
109.02859	2.6
109.06508	6.0
109.10152	11.2
111.08074	2.8
115.05430	6.9
116.06233	1.7
117.07017	17.5
119.04942	6.1
119.08588	14.1
121.02902	3.7
121.06518	6.5
121.10109	5.3
123.04404	4.4
123.08051	4.5
123.11739	1.9
125.02342	2.3
125.09620	2.2
128.06204	12.6
129.06992	22.8
130.07771	2.1
131.04881	7.7
131.08554	17.5
133.06508	7.6
133.10126	7.4
135.04439	4.5
135.08052	5.1
135.11679	2.7
139.03876	2.1
141.06996	12.1
142.07747	7.0
143.08559	14.4
144.05681	3.9
145.06509	16.4
145.10120	9.8
147.04416	6.5
147.08040	5.8
147.11685	3.0
149.06032	3.0
149.09579	4.6
151.03885	2.1
153.06953	8.3
153.09030	1.5
154.07750	5.7
155.06078	2.2
155.08549	14.3
156.09268	1.8
157.06503	11.8
157.10094	10.9
158.07320	3.2
159.04405	6.3
159.08063	10.1
159.11665	4.9
161.05992	8.0
161.09628	5.0
163.03905	6.4
165.05731	2.4
165.06976	10.3
166.07735	5.1
167.08563	6.7
168.09428	1.7
169.05171	2.0
169.06477	9.6
169.10117	10.6
170.07214	2.6
171.04427	5.0
171.08078	12.1
171.11722	6.0
173.05943	11.7
173.09605	9.1
175.03868	8.5
175.07574	5.1
175.11121	5.2
177.05502	4.3
178.07759	3.9
179.08522	6.6
180.09349	2.5
181.06476	3.8
181.10127	6.1
182.07356	2.8
183.08090	9.0
183.11673	5.3
184.05151	1.9
184.08743	2.7
185.06004	9.0
185.09595	9.1
185.13252	2.0
187.03944	4.3
187.07480	8.2
187.11102	3.2
189.05498	5.9
189.09158	5.3
191.06969	3.6
191.08559	3.1
192.09363	2.2
193.10130	4.2
195.08040	7.5
195.11775	3.7
197.05966	5.5
197.09613	9.9
197.13222	1.8
198.06665	3.8
199.03932	3.6
199.07495	11.1
199.11201	7.3
199.14839	2.2
201.05481	6.7
201.09117	12.7
201.12712	2.2
203.07013	5.1
203.10617	5.0
207.08026	3.5
207.11705	3.4
208.08832	2.6
209.09656	7.4
211.07567	9.6
211.11156	9.7
212.08267	2.3
213.05467	7.9
213.09081	9.5
213.12720	4.5
214.06277	1.9
215.07047	4.2
215.10716	5.8
217.04993	3.3
217.08670	4.4
217.12184	2.9
221.04393	3.9
221.09601	3.4
221.13144	2.7
223.11166	4.9
223.14670	2.4
225.09052	10.2
225.12665	2.7
226.09857	1.9
227.06990	5.2
227.10605	12.1
229.04961	2.2
229.08586	6.5
229.12167	2.5
231.06552	3.7
231.10028	2.1
233.07895	2.2
235.06064	6.8
235.11229	3.7
237.09106	4.7
237.12753	2.3
239.07089	2.9
239.10693	8.5
241.08591	6.6
241.12260	4.6
243.10210	6.6
245.11670	4.2
249.12930	2.2
251.10692	3.1
251.14113	2.5
253.08577	5.3
253.12227	5.3
255.10152	8.3
257.08066	1.9
257.11646	3.2
259.09564	2.9
261.11136	3.0
263.10849	2.5
265.08530	1.8
265.12146	2.1
267.10184	4.8
267.13632	1.6
269.11722	3.8
271.09720	2.2
273.11325	2.9
279.13766	1.9
279.17282	3.1
281.11707	5.8
281.15063	1.6
285.11310	3.7
295.13528	3.0
295.16846	2.8
297.14996	2.8
297.18491	4.3
299.12759	4.4
303.12186	3.7
309.14850	1.8
309.18494	3.3
311.12750	4.4
313.17987	3.1
317.13840	5.7
323.16470	2.2
323.20197	2.9
325.18027	5.1
325.21555	1.6
327.12335	4.1
327.19473	8.4
333.13272	4.2
333.18335	5.0
337.18054	6.4
339.19543	2.9
341.17395	3.0
345.13373	4.3
347.14822	2.0
349.18027	3.0
351.19543	19.7
353.21210	2.9
355.19016	10.3
357.16907	7.4
361.18027	6.2
367.19006	6.2
369.20746	10.4
371.22195	2.3
379.19043	30.8
380.19147	2.0
385.20081	2.2
387.21506	5.4
397.20062	53.4
398.20474	3.7
415.21140	100.0
416.21463	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	415.1749
Annotation	Unknow
Peak:m/z	Relative Intensity
54.53724	1.3
55.05488	3.4
57.03418	3.4
70.06586	12.6
71.76019	2.6
72.08134	3.9
79.05501	7.1
81.07048	14.8
83.05000	1.6
84.04495	17.5
84.08131	5.5
86.09695	12.2
91.05473	6.1
95.04940	2.9
103.05456	2.8
105.07000	8.1
107.04939	10.6
108.08087	4.9
109.06474	1.6
110.07129	2.3
114.05515	5.3
114.07400	1.4
115.05441	3.7
119.08521	1.6
120.08113	3.2
122.09650	1.6
123.04400	2.7
124.05217	1.6
128.06189	4.1
129.06990	22.0
129.10175	3.2
130.04987	18.1
131.04916	5.7
132.05702	1.9
132.08072	1.6
133.06471	4.3
137.05965	5.6
142.05008	11.4
144.05649	3.0
145.06477	4.8
147.04381	1.7
147.08003	2.6
153.05421	6.8
155.04904	4.9
156.06538	4.6
156.08412	2.1
159.08025	9.9
161.05962	11.9
165.01799	2.2
165.06859	1.6
167.07021	28.0
167.08372	1.4
168.06642	3.1
171.04370	2.2
172.05235	1.9
174.06740	3.7
175.07552	7.7
177.06909	1.9
178.07735	5.2
186.06815	2.6
187.05971	2.7
187.07529	33.9
188.18784	1.4
189.07037	3.2
189.09131	3.8
190.07700	1.6
191.08510	5.2
193.10149	2.1
195.07950	2.7
201.05373	2.4
202.07762	3.8
203.08630	4.3
205.06526	6.9
206.07219	10.0
207.08113	2.7
210.11230	21.5
213.09241	1.8
215.71617	1.5
217.06429	5.1
218.07246	3.8
219.08057	8.3
220.08875	2.9
221.06035	1.6
221.09467	10.2
222.06804	2.9
223.07494	7.6
225.08940	1.7
231.08052	4.5
233.05974	6.4
234.06659	11.3
235.07492	7.3
237.09312	7.7
237.12297	33.7
239.06943	2.4
245.05969	3.5
247.07541	6.7
248.08253	6.3
249.09068	21.3
250.06206	5.2
250.09679	2.6
251.07027	16.8
262.06400	2.5
262.09875	1.7
263.06995	2.2
263.10629	2.5
264.07822	3.2
265.08591	16.2
266.09341	6.4
273.11319	2.4
275.06998	2.6
277.08563	17.9
278.09409	3.0
279.06519	8.4
279.10132	4.2
281.11630	31.1
283.05957	9.0
283.09598	11.6
291.10110	4.0
293.08081	13.8
294.08881	11.7
295.06293	1.8
295.09470	6.6
297.11060	6.0
307.09546	3.6
308.10342	5.1
309.07654	3.9
309.11166	45.7
310.11755	5.1
311.09137	12.3
311.12332	3.1
312.13724	8.2
313.11880	1.9
321.11163	1.8
323.12689	2.6
325.10678	6.5
326.11459	100.0
327.11765	3.9
333.08084	1.8
337.07053	5.4
337.14093	1.6
339.12250	10.6
340.13043	54.0
341.13806	66.2
344.97385	1.9
383.14871	1.6
388.15292	2.1
397.08911	1.9
415.03543	1.5
415.16962	3.5
415.22986	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1746
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01518	3.2
63.49205	3.6
69.47922	40.6
70.06583	13.3
72.08169	4.4
76.63582	3.9
79.05463	4.9
84.08119	6.5
85.49899	3.7
86.09692	9.3
91.05463	23.1
96.62228	4.2
103.05470	4.4
105.06985	8.8
107.04996	5.0
115.05425	10.3
119.04937	10.5
119.08573	4.9
122.03588	7.5
128.06204	11.8
129.07013	40.1
131.04935	13.0
131.08539	36.3
133.06464	5.8
135.04419	4.2
137.05971	100.0
141.06989	31.3
143.08534	5.9
144.05702	5.2
145.06454	8.2
146.07291	6.3
147.04388	14.9
149.05992	9.4
151.07535	9.7
155.08601	8.1
157.06439	19.9
158.07263	19.3
159.04453	4.0
159.08040	22.9
160.05341	6.5
161.02292	3.9
161.05981	35.4
161.09601	7.0
162.06772	18.0
165.01837	9.4
165.07002	7.1
167.07109	4.1
167.08525	4.6
169.06470	11.4
170.07236	9.5
171.08015	5.0
173.05937	4.7
173.09598	4.5
174.06760	64.8
175.07498	19.2
176.46640	3.7
179.03326	5.2
179.07155	3.8
181.06496	4.3
182.07225	8.1
183.02919	5.3
183.08061	7.2
184.08838	4.9
185.09610	14.1
186.06778	20.7
187.07516	5.9
189.09096	70.2
191.07004	5.1
197.06018	3.9
197.09630	12.5
198.06729	19.5
199.07520	12.8
201.09073	41.2
210.06708	7.4
211.07417	5.2
212.08348	7.4
213.09068	34.7
217.08621	7.4
219.10130	71.9
225.09096	12.6
226.34984	4.1
231.10187	4.5
243.10172	27.2
255.10295	5.7
260.43024	4.6
261.11258	9.5
265.08551	4.0
273.11200	100.0
277.08569	8.1
283.06042	6.4
287.05573	5.5
291.09982	5.2
297.04123	4.6
299.05511	40.0
303.10022	5.0
313.03308	6.4
313.07034	14.2
321.11255	5.0
325.06995	13.8
327.04968	74.8
328.05222	5.2
329.06796	6.2
337.06952	13.2
339.05103	8.6
351.08615	6.7
353.06558	40.6
354.14456	9.2
355.04620	4.2
367.15393	11.0
379.08026	13.3
379.15558	7.7
383.14606	5.7
397.09412	21.5
397.16479	96.3
398.09579	5.4
398.16779	8.5
415.12155	4.7
415.17590	39.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1746
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46081	3.4
51.15242	3.1
54.49701	3.4
56.89495	3.0
62.16557	3.3
69.03427	3.8
69.47166	35.2
70.06594	17.6
72.08169	4.5
79.05486	4.4
84.08139	9.6
86.09705	9.5
91.05473	12.7
94.04195	5.9
95.04957	4.4
103.05458	5.4
105.07079	6.4
107.04983	3.8
107.08645	3.4
115.05453	9.6
116.06210	5.3
116.56204	3.9
119.04958	5.2
122.03628	6.5
127.63496	3.3
128.06236	6.1
129.06984	34.1
130.04137	3.9
131.04912	11.4
131.08530	34.1
133.06480	5.0
133.10167	4.5
134.09869	3.5
135.04376	3.6
137.02301	5.8
137.05957	100.0
141.06978	22.6
144.05687	9.2
145.06506	6.3
146.07195	6.0
147.04388	10.2
151.07513	7.1
153.06833	3.9
155.08543	5.3
157.06453	16.2
158.07253	11.5
159.08076	21.6
160.05212	4.8
161.05977	34.9
161.09569	7.8
162.06728	16.8
165.01855	6.2
168.05603	3.9
168.35629	3.6
169.06459	12.0
170.07257	8.2
171.07997	6.0
172.08810	6.7
174.06741	60.9
175.07549	18.8
181.06445	3.6
182.07329	6.6
183.03021	4.2
183.07979	7.2
185.06017	3.8
185.09662	16.6
186.06737	11.8
187.07506	10.7
189.09103	63.4
191.07083	5.6
195.08139	4.4
197.09619	13.1
198.06700	21.7
199.07556	11.2
201.09088	30.4
205.08629	7.4
211.07599	3.6
213.09116	32.1
215.10619	11.4
217.08534	7.1
219.08018	4.2
219.10144	75.3
225.09117	17.3
226.97881	3.8
231.10135	6.9
242.09572	3.7
243.08089	4.8
243.10184	29.5
255.10304	8.2
261.11261	7.6
273.11200	92.9
275.28873	3.5
299.05472	19.6
313.07071	11.4
317.11609	5.1
319.09546	3.7
321.11111	5.6
325.06958	5.4
327.04977	27.6
337.06927	5.8
349.14328	5.7
351.08398	5.8
353.06573	22.7
353.14032	5.9
354.14767	5.8
365.13626	10.8
367.15500	9.5
379.08224	5.4
379.15372	10.6
383.14999	5.6
397.09158	13.7
397.16437	89.9
398.16696	6.5
404.96173	3.7
415.17572	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	415.1641
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.8
55.05493	3.2
58.99577	4.2
59.61600	0.8
63.36367	0.8
67.05518	0.9
68.05012	3.2
69.03426	2.0
69.43923	9.4
70.06569	2.6
72.08165	1.0
76.02222	4.6
79.05487	5.3
80.04993	0.9
81.07047	48.2
82.06545	2.5
84.04495	58.4
84.08091	1.1
85.02870	1.6
86.06028	0.9
86.09694	2.9
86.99026	1.8
91.05460	2.4
93.07024	1.2
94.06536	3.3
95.42188	0.8
96.04496	1.8
108.08103	28.0
110.06000	1.6
110.07192	0.8
114.05524	17.3
116.01674	8.4
120.08154	0.8
121.03976	1.5
121.10090	1.7
122.06006	1.4
122.09650	1.8
124.02162	1.3
125.99505	0.8
128.07045	1.7
130.04988	56.9
135.04395	1.4
137.02293	1.3
137.05922	1.6
139.04927	4.0
140.07030	2.7
142.04982	29.7
143.03505	0.8
144.01114	2.7
150.11488	1.7
156.05275	1.4
156.06526	11.6
156.08397	10.9
161.06042	1.0
162.02205	9.0
164.10651	1.6
165.01735	1.2
166.06856	6.1
167.04506	1.4
168.06535	10.1
168.96068	0.8
175.79237	0.8
182.76193	0.9
183.09500	3.3
191.11798	0.8
210.11230	59.3
237.12311	100.0
238.12602	2.8
259.11050	1.8
269.09686	1.2
295.11151	1.1
299.05487	3.7
300.05917	1.2
307.54895	0.9
311.05243	0.9
312.13718	19.4
313.06827	0.9
325.06808	1.8
329.06598	1.0
340.13181	4.9
351.08701	1.5
353.06409	2.5
379.08105	3.8
381.77765	0.9
388.15353	2.6
397.09299	7.7
397.14255	1.5
398.13763	7.0
407.33887	0.9
415.10818	1.5
415.16354	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	415.1342
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.8
55.01857	2.4
55.44749	0.5
57.03422	1.9
61.02911	1.4
65.28860	0.6
67.05501	0.8
68.99778	1.8
69.03421	6.7
70.06580	2.9
71.04994	1.0
71.75993	0.8
72.08141	0.8
73.02898	1.6
81.03412	6.2
81.07011	0.6
84.04486	0.6
84.08117	0.8
85.02898	14.1
86.09686	2.1
87.00819	6.4
90.20616	0.6
91.05462	2.1
95.04937	1.7
97.02311	1.1
97.02884	13.1
99.04433	2.7
102.05481	0.7
105.01849	6.2
107.04909	1.0
107.70970	0.6
109.02878	5.4
115.03865	0.8
116.04949	1.9
119.04919	4.4
121.02858	9.8
127.03915	14.5
128.92824	0.5
129.01785	1.0
131.06017	0.8
132.04437	2.6
136.59499	0.6
141.01773	1.8
143.03316	0.6
145.02766	3.5
145.04941	8.6
147.02919	0.7
149.02342	0.7
153.01837	0.9
158.05948	0.6
159.02870	4.0
159.04111	0.9
163.03859	4.4
165.01807	13.4
177.05486	0.8
179.03346	0.7
181.04971	1.8
183.02863	6.3
187.03880	1.5
189.01749	0.7
191.03409	2.2
203.03549	0.6
205.04985	1.1
207.02988	0.6
215.03407	0.9
226.66916	0.6
231.04999	2.7
233.04388	1.1
243.02911	0.7
255.06477	0.6
267.06464	3.8
270.05228	0.9
271.05948	6.9
272.72061	0.7
279.06458	2.4
279.58566	0.6
281.08081	10.5
282.08301	0.9
283.05981	100.0
284.06354	5.7
293.07977	0.7
294.05222	0.9
295.05957	7.3
295.09625	3.4
297.07605	2.7
305.07904	2.9
307.06073	3.2
308.06702	2.5
309.04083	1.8
309.07516	29.7
310.07852	1.8
311.05576	0.8
313.07043	2.7
313.29095	0.6
321.07520	3.3
323.05307	1.2
323.09097	15.9
324.09229	0.9
325.07156	0.9
333.07590	3.9
337.07034	44.0
338.07333	3.2
349.07037	12.7
350.07147	0.8
351.08624	3.3
361.07016	9.7
362.07144	0.9
367.08099	14.8
368.08163	1.1
379.08102	19.3
380.08420	1.8
397.09149	17.1
398.09497	1.9
400.50998	0.8
415.10178	11.8
416.10504	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1343
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	10.1
55.01851	8.4
55.80933	3.6
57.03433	6.1
61.02909	10.0
67.51077	3.4
68.99792	3.5
69.03134	3.5
69.03429	33.6
69.61083	31.0
70.06576	11.2
70.42868	3.3
71.04954	7.8
73.02907	12.4
81.03421	30.7
84.08153	4.5
85.02899	100.0
86.09708	8.1
87.00821	38.2
91.03932	5.3
97.02882	80.5
99.04430	19.8
100.11239	4.3
105.01849	52.8
109.02859	33.9
116.04961	12.5
117.01756	4.0
119.04887	3.2
121.02866	3.9
127.03008	6.5
127.03909	99.8
127.04851	5.6
129.01866	3.9
131.06065	8.7
132.04462	20.2
145.04929	66.1
147.02937	5.5
150.05446	3.7
158.05907	4.6
159.02890	30.2
165.01880	7.5
167.08163	4.4
180.10150	3.8
213.03949	4.4
231.04984	19.9
249.06149	4.8
283.05951	34.5
284.06305	4.1
295.05908	4.7
301.55826	4.0
309.07578	17.0
323.09097	7.6
337.07104	21.0
339.96329	3.5
349.07147	5.1
361.06876	4.9
367.07935	9.3
379.08020	7.2
397.09067	10.5
415.10028	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	415.1019
Annotation	Premithramycinone
Peak:m/z	Relative Intensity
55.01850	0.5
55.05483	1.4
57.03417	0.5
57.07040	0.5
65.03926	0.9
67.05489	2.5
68.99763	1.0
69.03415	2.3
69.07054	3.0
69.89674	2.3
70.06581	0.8
71.04976	0.9
72.08138	0.4
79.01831	0.7
79.05475	2.8
81.03386	1.8
81.06624	0.3
81.07049	5.5
83.04947	1.0
83.08598	1.2
84.04462	0.5
84.08118	0.7
85.02892	0.5
85.06522	0.8
86.06040	1.2
87.04451	1.9
88.04795	0.4
89.06017	0.4
91.05454	2.6
93.03373	1.8
93.07024	3.5
95.04946	1.7
95.08578	4.3
97.06516	1.0
97.10131	0.7
99.04427	0.4
99.08052	0.6
102.09158	0.4
103.05450	0.4
104.07099	2.4
104.10725	0.4
105.03378	0.3
105.06979	4.0
107.04929	1.6
107.08572	4.5
108.08909	0.4
109.02844	1.5
109.06488	1.2
109.10130	2.6
111.04413	0.9
111.08065	0.4
115.05424	0.5
117.03358	0.4
117.06998	1.2
119.04891	0.3
119.08562	3.1
121.02831	0.7
121.06483	0.8
121.10115	2.6
123.04392	1.0
123.08047	0.9
123.11667	1.4
125.05954	0.5
125.09572	0.6
127.03880	0.9
127.07512	0.4
131.04819	0.4
131.08516	1.2
133.06462	0.5
133.10118	3.1
135.04378	3.0
135.08014	0.8
135.11633	1.3
137.01279	0.8
137.02315	12.3
137.05936	1.3
137.09590	1.3
137.13173	0.4
139.11169	0.5
143.08533	0.7
145.06462	0.7
145.10081	1.4
147.04353	0.6
147.11653	1.6
149.02335	0.5
149.06013	0.5
149.09578	1.4
149.13181	0.8
151.07498	1.5
153.01790	0.7
157.04996	0.5
157.10089	0.5
159.04330	0.5
159.11646	1.1
161.02335	1.7
161.05942	0.8
161.09599	2.0
161.13216	1.1
163.03883	2.6
163.11165	0.5
165.01797	0.6
165.05473	0.9
165.09090	1.3
165.12680	0.4
167.06993	1.1
167.10643	1.1
169.10138	0.4
171.11693	0.4
173.09659	0.4
173.13171	1.0
174.10364	0.4
175.03885	0.6
175.11192	0.6
175.14748	1.5
177.01776	1.0
177.05440	7.6
177.09032	0.6
177.12767	0.3
179.03375	3.9
179.10675	0.8
179.88298	0.4
181.04948	1.8
183.02853	0.4
187.11157	0.4
189.05383	0.7
189.12692	0.4
189.16362	1.0
191.03355	1.9
191.07039	0.4
191.10550	0.8
193.04927	3.9
193.12259	0.4
195.06448	0.6
197.13104	0.4
199.14767	0.6
201.05434	2.7
203.03374	2.4
205.01207	0.7
205.04831	0.9
205.08563	0.4
205.12152	0.5
207.02898	0.4
207.06537	0.5
213.16319	0.4
217.04845	0.8
217.15862	1.0
219.02864	9.9
219.06415	7.1
221.04416	5.6
229.05009	0.9
233.07982	0.8
235.05928	2.2
235.16843	1.1
237.03886	3.4
243.06491	0.8
245.04424	1.0
253.18089	0.5
261.07617	1.5
263.05347	1.9
267.06619	0.4
269.04532	0.4
279.06506	0.5
281.07990	0.4
283.05939	2.3
287.05441	5.7
295.06064	1.3
297.07507	0.5
299.05487	8.4
300.06018	0.9
309.07828	0.8
311.05444	13.1
312.05997	1.3
313.07013	65.9
314.07358	2.9
315.04956	0.5
323.09079	0.6
324.06238	1.2
325.06924	1.9
327.08548	2.3
329.06482	0.7
331.04730	0.5
335.09137	0.6
337.06958	1.3
339.04922	10.9
340.05499	0.5
341.06381	0.8
351.08542	2.7
353.06509	1.4
353.10306	0.6
355.08011	1.5
369.09845	1.7
371.07602	13.4
372.07751	0.7
379.08139	4.8
385.12839	0.5
387.10196	0.4
397.09088	12.0
397.17017	0.5
397.22623	0.6
398.09549	0.5
414.31705	1.2
415.10159	100.0
415.32156	1.3
416.10406	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	415.1022
Annotation	1-OH-Nogalamycinone
Peak:m/z	Relative Intensity
55.01826	0.9
55.05460	0.4
57.03395	0.5
65.03911	0.5
67.01823	0.6
67.05454	0.6
68.99778	3.0
69.03423	24.0
69.03769	1.0
69.74046	1.8
70.06528	1.2
72.08115	0.4
75.34164	0.3
79.05440	1.1
81.03342	1.1
83.04931	0.7
84.08106	0.5
85.02869	0.4
85.24058	0.3
86.09648	0.9
88.44604	0.3
89.03884	0.3
91.05427	0.7
92.99693	1.1
93.03355	0.5
93.06950	0.5
95.04910	1.2
98.21408	0.7
103.05418	0.6
105.03368	0.3
105.06974	0.6
106.21127	0.3
107.04950	2.1
109.02848	0.4
110.07150	0.3
111.04423	1.9
115.05395	0.5
117.03314	0.4
117.06994	0.3
119.04858	0.3
121.02826	0.8
129.10219	0.4
131.04930	1.6
133.02783	0.5
135.04408	7.2
137.02333	15.2
137.03343	1.0
137.05820	0.4
141.01825	2.0
143.04900	0.4
145.02802	0.4
145.06392	0.6
147.04326	1.1
149.02281	1.0
149.05920	0.6
151.03928	0.4
153.01772	1.1
155.04834	0.5
159.04413	0.8
161.02325	5.6
163.03889	6.3
163.07492	0.4
164.87363	0.3
165.01817	12.7
167.03319	1.4
171.04373	2.1
173.02318	0.4
173.05977	0.3
175.03853	1.0
177.01790	0.8
177.05472	0.5
179.03349	4.9
181.03775	0.3
181.04962	3.3
181.06447	0.5
183.02898	7.4
183.04359	1.0
185.02274	0.6
187.03970	0.5
187.07320	0.3
189.01784	0.6
189.05455	1.5
191.03380	4.1
195.02817	0.7
197.00761	0.5
199.03876	1.2
201.05540	2.0
203.03354	3.1
205.01256	0.4
207.02768	0.6
209.04393	1.2
217.04929	2.6
221.04449	1.1
227.03275	1.2
231.07933	0.4
235.05934	1.3
243.06519	2.5
243.08672	0.4
245.04451	4.2
247.02377	0.4
251.06963	0.6
255.06496	1.0
258.05099	1.3
263.05396	0.7
269.07874	0.7
271.05997	0.9
272.06644	0.5
279.06586	0.9
282.05148	0.4
283.06003	3.6
285.03967	0.4
286.04645	4.4
287.05457	9.2
289.03497	2.0
295.05975	2.2
296.06418	0.5
297.07532	17.5
298.07828	0.5
299.05463	62.9
300.06058	4.8
305.08020	1.2
307.05975	1.1
308.06772	1.7
309.07697	1.6
310.04724	3.8
311.05469	13.8
312.05658	0.8
313.03412	1.8
313.06970	12.0
314.07538	0.4
323.05417	2.3
323.09131	3.0
324.06268	1.5
325.07019	49.1
326.07434	1.7
327.04990	0.5
327.08575	5.2
329.06546	14.8
330.07040	0.7
333.07599	1.1
335.09045	2.3
336.06189	1.1
337.07007	13.1
338.07516	0.7
339.04996	3.6
341.06461	0.8
341.09833	0.6
351.08578	23.0
352.08914	0.7
353.06516	67.5
354.06897	4.0
355.08060	3.2
359.65091	0.3
361.07047	6.1
369.09705	1.7
371.07217	0.3
379.08081	63.4
380.08374	3.0
397.09137	100.0
398.09491	5.3
415.10223	13.7
415.15027	0.5
416.10452	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1021
Annotation	3'-Deoxyderhamnosylmaysin
Peak:m/z	Relative Intensity
51.55955	0.9
53.03922	1.1
55.01842	2.5
55.05476	3.2
57.03424	2.1
58.33863	1.0
65.03915	1.4
67.05470	3.9
68.99770	2.2
69.03419	4.8
69.07022	2.5
69.57889	2.1
69.58298	7.3
70.06564	3.7
71.04980	2.0
71.61612	0.8
72.08144	1.3
79.01826	2.0
79.05451	3.8
81.03372	4.1
81.07043	5.6
81.82249	1.3
83.04982	1.3
85.02890	2.3
85.06510	1.8
86.53249	0.8
89.70227	0.9
91.04942	2.0
91.05466	31.6
93.03365	1.4
93.07000	3.8
95.04924	3.6
95.08608	7.0
97.02863	1.5
105.03361	1.1
105.06348	0.9
105.07021	14.7
107.04945	2.3
107.08548	3.8
109.02825	3.5
109.06506	1.3
109.10112	4.3
111.04384	1.0
113.77536	0.9
115.05444	2.2
117.07019	1.7
119.04948	5.5
119.08528	3.1
121.02851	12.8
121.06427	1.8
121.10092	2.8
123.04350	1.5
123.08031	2.4
123.11687	1.4
127.03825	1.0
129.06924	1.5
131.08510	1.3
133.10057	2.6
135.04350	3.2
135.11621	1.0
137.02335	11.7
137.06035	1.3
139.03842	3.9
141.01801	2.4
143.08542	2.2
145.02789	3.3
145.10049	1.9
147.04297	1.9
147.11603	1.5
149.02281	2.6
149.05876	1.4
149.09541	1.7
151.03821	4.4
151.07445	1.3
156.99638	1.1
157.06473	1.8
157.10225	1.1
159.08090	1.0
161.02255	1.4
161.05957	1.7
161.13222	1.0
163.03856	7.2
165.01804	20.7
165.06847	0.8
165.09041	3.1
166.02087	1.3
167.03314	3.1
169.09639	1.0
173.13158	1.1
175.03752	1.1
177.01729	3.7
177.05394	2.8
179.03366	5.5
179.08498	1.0
181.04897	3.2
183.02879	10.5
183.08054	1.0
185.05922	1.1
187.03783	3.3
189.01758	2.1
189.05327	1.2
189.16212	1.2
191.03297	3.8
191.10637	1.2
193.04955	5.0
195.02843	2.6
195.06456	1.5
201.05391	1.9
203.03316	1.4
205.04932	6.3
207.02902	1.7
213.05489	1.5
219.02890	9.7
219.06444	3.6
221.15361	0.9
229.04974	2.1
233.04456	1.4
235.05861	2.7
235.16852	1.9
237.03770	2.6
239.06989	1.4
243.06317	1.6
245.04457	1.0
247.05890	1.7
249.08968	1.4
253.04968	1.0
253.08484	2.3
255.06389	3.3
261.07492	2.5
263.05402	2.7
265.08475	2.0
267.06445	4.8
270.05121	2.3
271.05884	13.7
271.09491	5.2
278.05594	1.1
279.06494	6.4
281.08023	10.6
283.05988	100.0
283.09265	4.1
284.06622	16.2
287.05392	1.5
291.09955	3.1
295.02765	1.4
295.06012	21.1
295.09311	1.7
297.04193	1.9
297.07504	17.9
299.05487	10.4
305.07947	2.8
307.05948	14.6
308.06595	2.9
309.04004	2.0
309.07599	23.7
309.11044	2.1
311.05484	35.4
311.08978	2.4
312.05942	2.9
313.07019	49.5
315.04950	7.0
323.05286	7.2
323.08972	17.6
325.07028	5.8
327.04977	1.4
329.06747	1.5
333.07498	4.7
335.05524	5.2
337.06833	12.0
337.10593	13.9
341.06335	2.4
341.10150	1.1
351.08591	26.2
352.08765	1.3
353.06610	8.4
361.06836	2.7
367.11700	3.3
369.09894	6.5
371.07620	13.1
379.07983	44.4
379.11884	3.6
380.08215	2.6
397.09055	45.2
398.09247	1.9
415.10120	46.7
415.26746	2.3
416.10574	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1018
Annotation	1-OH-Nogalamycinone
Peak:m/z	Relative Intensity
55.01863	0.9
55.05488	1.0
57.71180	0.4
66.35699	0.4
67.33862	0.4
68.99770	1.0
70.06579	2.7
71.04978	2.3
71.75602	0.6
72.08131	0.5
74.60536	0.4
79.01826	0.7
79.05482	0.6
83.04955	1.0
84.08106	0.8
86.09692	1.1
89.06017	1.0
91.05395	0.7
97.02906	0.4
105.07032	0.5
106.06495	0.4
107.01291	1.1
107.04932	1.0
110.07198	0.4
114.73693	0.4
115.05432	0.7
120.08137	0.5
121.02875	0.5
131.04901	0.5
135.04393	3.6
137.02324	4.6
137.05959	1.7
141.01860	1.9
147.00674	0.5
149.09618	0.4
155.03374	0.5
161.02312	1.4
161.06050	0.4
165.01822	14.7
171.04404	0.6
175.00261	1.8
175.07515	0.5
179.03400	0.8
181.04958	0.6
183.02876	8.2
187.07500	0.6
189.09062	0.5
191.03368	0.5
193.01315	3.8
197.00751	2.0
198.06819	0.6
201.09103	0.5
203.03413	1.2
213.09126	1.0
219.10060	1.0
221.04514	0.4
229.84418	0.4
231.36536	0.4
243.10234	0.8
245.04553	0.9
271.05939	0.7
273.11145	0.9
281.04376	1.1
283.06180	0.6
286.04694	1.6
287.05450	3.2
295.05893	0.4
297.03922	2.4
297.07211	0.8
299.05466	38.5
300.05951	1.6
309.07480	0.8
310.04669	1.0
311.05426	1.5
313.03391	5.2
313.07050	1.4
315.04980	0.8
317.12027	0.5
323.09143	1.0
325.03394	2.6
325.07040	9.7
327.04959	100.0
328.05328	3.3
329.06525	2.5
331.04663	0.5
337.03479	0.6
337.07022	13.7
338.07761	0.5
339.05054	0.7
351.08582	12.6
353.06540	5.8
355.04422	8.0
355.08221	1.3
357.05875	0.5
361.07181	0.6
369.09521	2.1
379.08115	12.7
397.09155	25.8
397.16348	0.9
398.09500	1.3
415.10043	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	415.0999
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80550	3.9
56.05038	5.5
56.96550	5.9
64.10900	3.7
65.25362	4.2
70.06586	100.0
70.20495	15.2
70.20905	8.0
72.08160	14.0
81.03436	6.0
84.04485	13.3
84.08131	21.3
85.02867	6.6
86.06047	7.2
86.09708	10.0
87.06893	4.4
91.05788	14.0
95.28327	4.3
98.20742	4.2
98.97584	9.8
110.07159	8.1
116.07076	17.8
116.98612	7.3
122.02768	5.8
129.10258	8.8
132.04430	30.6
136.07584	4.5
147.04372	6.3
152.05620	6.7
173.02994	4.9
213.12329	35.4
237.02615	7.1
344.97598	6.8
415.04391	7.8
415.09793	51.8
415.17975	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	415.0995
Annotation	Unknow
Peak:m/z	Relative Intensity
61.61341	9.7
69.40591	30.2
69.41017	57.0
70.06596	100.0
72.08152	24.1
84.04494	17.4
84.08118	39.7
85.02905	9.2
86.09693	10.2
91.05797	9.9
98.20628	18.2
98.97555	17.7
110.07210	9.2
116.07079	13.2
116.98610	10.5
120.08113	15.9
129.10211	9.7
130.83192	8.2
141.10217	14.0
146.99631	13.2
150.05562	8.0
169.09698	19.2
237.02800	26.0
247.12808	11.8
344.97565	12.0
415.09830	81.0
436.13263	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	415.0998
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12943	4.3
69.45350	33.8
69.45773	15.8
70.06577	18.4
72.08139	5.5
84.08124	7.1
98.21471	8.8
102.96833	6.0
103.48667	4.6
160.01337	4.9
169.40749	4.5
177.04843	5.3
208.99501	5.4
270.99689	5.4
277.32581	4.4
294.99457	6.0
415.09998	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.264
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	2.7
55.01860	1.8
55.05509	7.9
57.03415	2.5
57.07050	1.7
57.16769	1.1
59.04978	1.4
61.02928	1.4
65.03911	2.1
67.05506	13.5
68.05004	4.1
68.05799	1.3
69.03419	7.6
69.07072	7.0
70.06586	53.9
71.04963	3.6
71.32201	1.1
71.75041	1.4
72.08131	2.9
78.16979	1.0
79.05498	11.5
80.04996	1.5
81.03425	5.1
81.07056	17.4
82.07355	1.4
83.04953	4.2
83.08579	3.1
84.04478	3.3
84.08105	3.0
85.02869	4.6
85.06492	3.2
86.06059	7.4
86.09676	1.4
87.04465	8.3
88.03980	1.1
91.05463	20.3
93.07039	17.7
94.06522	2.5
95.01311	1.5
95.04960	6.4
95.08597	12.7
96.08125	8.0
97.02863	2.4
97.06503	4.0
97.10151	1.4
98.06033	8.7
99.04431	1.4
99.08016	1.4
100.07603	14.3
102.09167	1.5
104.07105	9.8
105.07023	26.2
107.04918	2.3
107.08585	15.1
108.08080	3.7
108.08791	1.4
109.02794	1.3
109.06512	9.1
109.10164	7.8
109.71775	1.0
114.05499	5.7
115.05401	2.4
116.06294	1.9
116.07070	5.6
117.07011	7.1
118.06503	1.3
119.04939	1.5
119.08564	30.0
120.08090	6.4
121.02826	1.2
121.06467	1.8
121.10125	10.1
122.09612	4.7
123.04420	1.2
123.08039	3.7
123.11662	1.7
124.07557	2.3
125.05931	3.0
125.09599	2.6
128.06186	2.0
128.07048	17.1
129.07013	5.3
130.07713	3.1
131.07611	1.7
131.08557	13.7
133.06473	1.9
133.08760	0.9
133.09117	1.2
133.10117	11.4
134.09624	4.5
135.08047	3.7
135.11674	2.4
136.11189	6.5
136.17355	1.1
137.02286	3.9
137.05943	1.6
137.09557	3.5
141.07018	1.9
142.07745	6.7
142.84171	1.2
143.08569	12.1
144.09268	2.5
145.06438	2.3
145.10110	23.9
146.09587	2.7
147.07977	5.1
147.10478	2.0
147.11647	6.9
148.11185	6.1
149.09604	2.7
149.13255	1.3
151.06238	2.1
151.11162	2.1
152.07060	1.5
154.08612	2.3
155.08528	4.0
156.09236	6.3
157.10121	19.5
158.10898	1.5
159.08015	3.8
159.11714	8.2
160.11163	2.1
161.09608	2.0
161.13272	2.4
162.12753	7.3
163.11205	3.7
163.72447	1.1
165.01778	1.5
165.07083	1.6
165.09117	8.0
166.08582	3.2
167.07063	2.5
167.08508	2.7
168.10199	41.4
168.11621	2.2
169.10172	5.2
170.10886	1.9
171.11671	11.4
173.09604	2.5
173.13206	5.0
173.37589	1.1
175.11179	6.1
177.05487	1.1
178.08562	8.5
179.08495	1.7
181.04915	2.8
181.10033	2.4
181.12210	3.0
183.11658	6.6
185.13200	5.0
188.14238	1.8
190.15887	4.8
192.10143	2.5
193.10274	1.2
194.11894	7.3
195.11700	4.5
197.13240	7.0
199.11220	1.6
199.14764	4.9
203.14316	4.2
207.11674	1.6
209.13327	5.8
211.14839	1.4
213.16325	1.6
215.14264	4.8
219.02943	2.2
221.13277	2.4
221.15337	25.3
223.14748	3.5
225.16316	2.6
232.13225	2.0
234.14818	4.9
236.16547	1.8
239.17844	2.2
246.14900	1.9
255.17352	2.0
258.14868	1.1
265.19470	5.0
272.18640	10.0
281.18951	1.7
283.05902	3.8
297.07568	1.4
299.05469	3.4
299.20087	1.8
300.05945	1.6
301.21387	1.4
311.05429	3.6
312.05826	5.6
312.19418	1.2
313.07111	8.9
314.07251	2.3
324.06274	1.3
325.07101	2.1
339.05011	3.4
340.05377	15.9
351.08450	1.8
352.26193	1.9
353.06299	3.7
356.22287	2.9
367.11838	1.6
370.27521	8.3
371.07333	2.9
379.07898	3.0
379.11780	3.8
396.08026	2.2
396.25201	3.3
397.08780	4.1
397.18729	1.9
414.08801	4.1
414.26321	100.0
415.09879	8.3
415.26700	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	414.2638
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	2.8
55.05507	5.9
56.05030	1.0
57.03416	2.4
57.07061	2.6
59.04996	1.6
62.06080	1.4
67.05510	9.9
68.05002	2.6
69.03428	7.8
69.07056	6.6
69.44925	9.1
69.45337	1.6
70.06586	47.0
70.06973	2.5
71.04980	4.3
72.08134	2.9
74.74798	0.9
78.35239	1.0
79.05494	7.1
80.05000	3.0
81.03417	5.0
81.07055	13.1
82.06586	1.2
83.04977	4.7
83.08599	2.5
84.08128	3.2
85.02873	2.1
85.06532	6.1
86.09690	1.6
87.04459	2.1
89.06037	1.1
91.05464	11.4
93.07037	12.9
94.06568	2.9
94.07301	1.1
95.04956	6.5
95.08598	9.3
96.08119	6.3
97.02884	1.2
97.06513	3.4
97.10144	1.5
98.06020	1.4
100.07611	12.1
105.07026	19.3
107.04937	1.2
107.08591	9.8
108.08124	3.0
109.02849	1.9
109.06521	7.2
109.10133	7.9
110.07140	2.8
111.08110	1.3
113.06049	2.2
114.05527	5.5
116.07072	3.8
117.07016	5.1
119.04926	2.0
119.08575	22.1
120.08101	5.6
121.02863	2.4
121.06445	1.1
121.10139	6.8
122.09634	4.3
123.08023	2.6
123.11703	1.7
124.32760	1.1
125.09623	2.1
128.06212	2.4
128.07057	15.1
129.06982	4.7
129.23590	1.0
130.07771	1.8
130.08670	1.5
131.08563	11.5
133.06447	2.0
133.10120	10.6
134.09651	2.7
135.04453	1.7
135.08026	4.5
135.11719	1.5
136.11205	4.9
137.02341	6.2
137.09608	4.3
139.11115	1.3
141.01839	1.7
141.07013	1.1
142.07770	5.0
143.08560	9.2
144.09354	3.6
145.06487	1.4
145.10121	17.6
146.09595	1.9
147.08031	2.4
147.11646	8.1
148.11191	4.9
149.09586	2.3
154.08670	2.6
155.08607	5.1
156.09410	5.6
157.10115	17.0
158.10829	2.0
159.08041	2.7
159.11690	5.5
160.11232	2.1
161.02328	1.3
161.09682	1.3
161.13272	2.2
162.12726	5.4
163.03862	2.2
163.11151	3.5
165.01836	15.4
165.09087	6.3
166.08624	3.5
167.07118	1.2
167.08546	1.6
168.10208	37.7
169.10175	3.6
170.10893	1.8
171.11674	7.8
172.11159	1.6
173.09744	1.7
173.13271	5.5
175.00209	1.9
175.11145	6.3
178.08647	6.8
179.03419	2.2
179.08485	1.8
181.04987	1.9
181.10156	3.0
182.10779	2.1
183.02850	7.1
183.11653	5.4
185.13333	5.3
187.14827	2.1
190.15915	2.6
191.03400	1.4
192.10176	2.9
193.01376	2.2
194.11789	5.7
195.11754	3.6
197.00749	1.3
197.13264	6.2
198.14026	1.3
199.14841	4.6
201.12582	1.2
203.14250	3.5
206.11794	1.4
207.11816	1.8
207.17467	1.2
208.12515	1.9
209.13222	2.9
211.14920	1.1
215.14273	3.4
218.11980	1.2
221.15331	18.6
223.14815	4.8
225.16385	1.4
226.15938	1.2
227.14270	1.5
234.14958	4.1
235.16953	4.3
244.13397	1.2
245.04393	1.3
246.14836	2.9
253.17989	2.1
258.15033	1.2
259.15549	1.4
263.18137	1.1
265.19528	3.2
271.05957	2.2
273.18146	1.0
281.04523	2.0
281.08026	1.3
283.05988	14.7
284.06570	2.0
286.04694	2.0
287.05460	3.1
295.06113	3.7
297.03986	2.4
297.07428	2.5
299.05469	40.6
299.20071	2.5
300.05899	3.2
307.06015	2.1
309.07501	3.9
310.04605	1.4
311.05383	6.2
312.05820	1.3
312.19638	1.9
313.03394	4.1
313.07056	9.0
313.20282	1.3
323.05573	1.3
323.09067	3.4
324.05951	1.7
325.03470	2.8
325.07047	12.7
327.04977	74.8
329.06387	2.7
333.07544	2.4
337.07114	10.9
339.04987	3.6
340.04849	1.7
343.08197	1.1
351.08597	15.8
353.06564	17.1
354.10846	1.2
355.04572	7.2
355.08154	1.6
356.22095	3.2
369.09830	1.7
370.27261	7.5
379.08112	20.9
396.08102	2.8
396.20428	1.8
396.25314	5.0
397.09149	32.2
414.08969	2.8
414.26343	100.0
415.10266	10.6
415.26584	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	414.2638
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	2.8
55.05507	5.9
56.05030	1.0
57.03416	2.4
57.07061	2.6
59.04996	1.6
62.06080	1.4
67.05510	9.9
68.05002	2.6
69.03428	7.8
69.07056	6.6
69.44925	9.1
69.45337	1.6
70.06586	47.0
70.06973	2.5
71.04980	4.3
72.08134	2.9
74.74798	0.9
78.35239	1.0
79.05494	7.1
80.05000	3.0
81.03417	5.0
81.07055	13.1
82.06586	1.2
83.04977	4.7
83.08599	2.5
84.08128	3.2
85.02873	2.1
85.06532	6.1
86.09690	1.6
87.04459	2.1
89.06037	1.1
91.05464	11.4
93.07037	12.9
94.06568	2.9
94.07301	1.1
95.04956	6.5
95.08598	9.3
96.08119	6.3
97.02884	1.2
97.06513	3.4
97.10144	1.5
98.06020	1.4
100.07611	12.1
105.07026	19.3
107.04937	1.2
107.08591	9.8
108.08124	3.0
109.02849	1.9
109.06521	7.2
109.10133	7.9
110.07140	2.8
111.08110	1.3
113.06049	2.2
114.05527	5.5
116.07072	3.8
117.07016	5.1
119.04926	2.0
119.08575	22.1
120.08101	5.6
121.02863	2.4
121.06445	1.1
121.10139	6.8
122.09634	4.3
123.08023	2.6
123.11703	1.7
124.32760	1.1
125.09623	2.1
128.06212	2.4
128.07057	15.1
129.06982	4.7
129.23590	1.0
130.07771	1.8
130.08670	1.5
131.08563	11.5
133.06447	2.0
133.10120	10.6
134.09651	2.7
135.04453	1.7
135.08026	4.5
135.11719	1.5
136.11205	4.9
137.02341	6.2
137.09608	4.3
139.11115	1.3
141.01839	1.7
141.07013	1.1
142.07770	5.0
143.08560	9.2
144.09354	3.6
145.06487	1.4
145.10121	17.6
146.09595	1.9
147.08031	2.4
147.11646	8.1
148.11191	4.9
149.09586	2.3
154.08670	2.6
155.08607	5.1
156.09410	5.6
157.10115	17.0
158.10829	2.0
159.08041	2.7
159.11690	5.5
160.11232	2.1
161.02328	1.3
161.09682	1.3
161.13272	2.2
162.12726	5.4
163.03862	2.2
163.11151	3.5
165.01836	15.4
165.09087	6.3
166.08624	3.5
167.07118	1.2
167.08546	1.6
168.10208	37.7
169.10175	3.6
170.10893	1.8
171.11674	7.8
172.11159	1.6
173.09744	1.7
173.13271	5.5
175.00209	1.9
175.11145	6.3
178.08647	6.8
179.03419	2.2
179.08485	1.8
181.04987	1.9
181.10156	3.0
182.10779	2.1
183.02850	7.1
183.11653	5.4
185.13333	5.3
187.14827	2.1
190.15915	2.6
191.03400	1.4
192.10176	2.9
193.01376	2.2
194.11789	5.7
195.11754	3.6
197.00749	1.3
197.13264	6.2
198.14026	1.3
199.14841	4.6
201.12582	1.2
203.14250	3.5
206.11794	1.4
207.11816	1.8
207.17467	1.2
208.12515	1.9
209.13222	2.9
211.14920	1.1
215.14273	3.4
218.11980	1.2
221.15331	18.6
223.14815	4.8
225.16385	1.4
226.15938	1.2
227.14270	1.5
234.14958	4.1
235.16953	4.3
244.13397	1.2
245.04393	1.3
246.14836	2.9
253.17989	2.1
258.15033	1.2
259.15549	1.4
263.18137	1.1
265.19528	3.2
271.05957	2.2
273.18146	1.0
281.04523	2.0
281.08026	1.3
283.05988	14.7
284.06570	2.0
286.04694	2.0
287.05460	3.1
295.06113	3.7
297.03986	2.4
297.07428	2.5
299.05469	40.6
299.20071	2.5
300.05899	3.2
307.06015	2.1
309.07501	3.9
310.04605	1.4
311.05383	6.2
312.05820	1.3
312.19638	1.9
313.03394	4.1
313.07056	9.0
313.20282	1.3
323.05573	1.3
323.09067	3.4
324.05951	1.7
325.03470	2.8
325.07047	12.7
327.04977	74.8
329.06387	2.7
333.07544	2.4
337.07114	10.9
339.04987	3.6
340.04849	1.7
343.08197	1.1
351.08597	15.8
353.06564	17.1
354.10846	1.2
355.04572	7.2
355.08154	1.6
356.22095	3.2
369.09830	1.7
370.27261	7.5
379.08112	20.9
396.08102	2.8
396.20428	1.8
396.25314	5.0
397.09149	32.2
414.08969	2.8
414.26343	100.0
415.10266	10.6
415.26584	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	414.2484
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.8
55.01862	4.2
55.05507	10.5
57.03425	3.1
67.05499	23.7
69.03418	4.1
69.07064	10.9
70.08943	3.5
70.09361	2.8
71.04980	3.9
74.93828	1.4
79.05482	20.9
81.03409	9.2
81.07047	62.1
83.04961	4.2
83.08607	7.9
85.06562	1.2
87.00790	1.5
91.05464	20.9
93.07033	19.7
95.04964	8.6
95.08588	17.1
97.06516	4.0
97.10156	2.3
98.21352	1.7
99.08096	2.0
104.09159	1.1
105.07019	19.3
105.81908	1.2
107.04939	10.9
107.08577	12.6
108.77884	1.1
109.06506	20.5
109.10138	9.1
111.08066	2.9
117.07020	4.9
119.08559	21.2
121.06500	4.4
121.10147	9.8
123.08070	6.5
123.11676	6.2
125.09664	1.5
129.06981	2.4
131.08540	11.0
133.06529	1.2
133.10127	15.0
135.08046	4.0
135.11687	4.2
137.09586	2.1
137.13229	1.2
143.08574	2.4
145.10115	8.9
147.08031	1.4
147.11673	13.2
149.09599	10.3
149.13177	5.3
151.11165	4.3
153.12846	1.2
155.08565	1.2
157.10107	3.9
159.11703	5.8
161.09564	1.6
161.13181	1.8
163.11165	7.5
163.14888	1.4
165.12747	3.4
169.10107	1.8
171.11700	4.1
173.13225	4.2
175.11185	2.5
177.12749	1.7
183.11685	1.6
187.11186	2.1
191.14343	1.9
193.12212	2.8
197.13138	1.4
214.07463	1.1
215.18015	1.4
217.16109	1.4
229.14256	1.2
229.19493	2.3
239.18016	4.1
247.20506	3.5
257.18973	9.6
275.20044	100.0
276.20340	3.6
293.21082	67.0
294.21420	2.4
298.01724	1.2
332.65738	2.4
333.15906	1.5
361.20108	3.2
379.21115	1.9
414.23386	1.5
414.29510	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.2481
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.8
55.01863	2.9
55.05509	19.3
57.24809	1.3
57.50087	1.3
62.17896	1.4
67.05500	24.9
69.03429	2.6
69.07052	10.3
70.06572	1.6
70.35524	3.1
70.35905	5.4
71.04971	2.4
79.05486	23.9
81.03399	5.7
81.07050	22.2
82.55456	1.4
83.04967	5.1
83.08611	15.7
85.06511	1.7
87.00829	2.1
91.05466	32.8
93.07034	21.0
95.04968	17.2
95.08595	16.9
97.06534	6.6
97.10162	4.4
102.68298	1.3
103.05416	2.0
105.07017	25.5
107.04938	5.8
107.08579	15.5
109.06496	4.9
109.10147	8.6
111.08070	4.9
117.07003	11.3
119.08573	100.0
121.06490	4.9
121.10147	10.7
123.08032	3.9
123.11721	2.5
125.09615	5.1
129.06967	3.0
131.08559	10.6
132.72235	1.2
133.06444	2.4
133.10126	19.7
135.08078	2.6
135.11685	5.4
137.09596	3.4
139.11197	1.6
143.08495	3.7
145.06415	2.0
145.10110	22.4
147.11714	11.7
149.09598	24.5
149.13202	2.0
151.11180	3.7
155.08499	3.7
157.10162	4.3
159.11732	10.7
161.09622	2.0
161.13306	2.7
163.11176	28.6
165.12737	4.2
169.10130	2.7
171.11662	3.3
173.09602	4.5
173.13229	4.4
175.11148	2.2
175.14771	1.8
177.12743	3.7
183.11697	2.8
187.14809	1.7
189.11227	2.8
191.14398	1.6
197.13213	3.4
218.02824	1.4
221.30319	1.4
223.13275	11.8
229.19519	5.6
239.17960	12.0
247.20505	3.3
257.19006	18.3
258.12128	1.4
271.98697	1.4
275.20050	87.6
276.20416	2.6
293.21078	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	414.2306
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01140	0.5
52.77496	0.5
53.03929	1.2
53.83751	0.4
55.01853	2.2
55.05505	9.7
56.05037	0.6
56.23980	0.4
57.03424	1.4
57.07046	1.6
58.99575	3.6
59.57387	0.5
60.04493	0.7
65.03917	1.3
66.38006	0.4
67.05497	27.9
69.03401	1.5
69.07060	8.1
70.06570	1.7
70.71556	0.5
71.04994	2.2
71.75008	0.5
72.08143	3.3
73.02869	0.5
76.02213	5.7
79.05014	1.0
79.05480	17.0
80.05810	0.7
81.03395	1.4
81.07046	23.2
82.07352	0.5
83.04961	1.8
83.08614	3.8
84.04465	0.6
84.08125	0.9
85.01148	0.6
85.02892	1.1
85.06510	1.5
86.00633	1.5
86.06045	0.8
86.99036	2.0
87.02670	1.9
87.04465	0.7
88.03970	0.5
88.16977	0.4
91.05466	27.2
93.07037	15.3
94.07368	0.6
95.04971	3.1
95.08592	15.5
96.37836	0.4
97.02873	0.8
97.06521	1.6
97.10163	1.7
98.09677	0.5
99.08073	0.7
103.05433	1.3
105.00110	2.7
105.04536	0.6
105.07017	32.2
106.07365	1.2
107.04926	1.9
107.08583	9.4
109.06504	2.4
109.10146	11.5
110.10486	0.7
111.04418	0.5
113.04213	1.3
115.05444	1.0
117.06998	8.0
119.08570	23.6
120.08073	0.5
120.08903	0.9
121.06491	1.9
121.10133	7.7
122.02716	16.8
123.08066	2.0
123.11691	3.1
125.09615	1.6
126.05421	0.5
126.75591	0.5
129.07021	2.7
130.06595	0.5
131.08551	10.8
132.01108	2.1
133.06506	1.0
133.10115	24.4
134.10435	0.6
135.08022	2.6
135.11684	3.9
137.05998	0.9
137.09601	5.3
140.03165	0.5
141.06958	1.2
143.08531	2.4
144.23921	0.5
145.06465	0.9
145.10133	7.3
147.07970	0.9
147.11664	17.3
149.09607	7.1
149.13211	1.8
151.11180	0.9
155.08546	1.5
157.10126	2.2
159.04758	2.8
159.11678	8.2
161.06033	0.6
161.09576	0.8
161.13217	5.2
163.11148	1.5
165.07098	0.5
167.07074	0.7
167.10555	0.5
169.07527	0.5
169.10060	1.9
171.11678	1.9
173.09619	0.8
173.13235	7.0
175.11140	1.6
175.14749	0.7
176.07397	2.1
177.12746	1.2
179.10704	0.7
181.04965	0.6
183.11681	1.9
185.13153	0.5
187.11082	1.1
187.14796	1.4
189.12730	0.9
191.14247	0.6
195.06519	0.6
197.13248	2.7
201.12785	0.6
201.16223	0.6
202.08943	4.6
215.14250	0.7
229.19440	2.4
233.15338	1.6
237.14732	0.5
239.17986	3.5
247.20581	4.4
257.18973	4.8
265.21606	1.6
275.20032	100.0
275.42676	0.5
276.20352	4.9
283.05991	0.8
293.21115	4.4
299.05460	0.5
344.97864	0.6
397.09271	0.6
397.20633	1.1
414.09024	0.6
414.22803	1.4
415.14322	0.7
415.21579	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	414.1393
Annotation	Unknow
Peak:m/z	Relative Intensity
56.50003	1.1
56.96549	3.0
68.05030	1.2
69.03423	4.2
70.06575	6.3
71.04975	1.3
71.73590	1.6
72.08148	1.5
81.03429	1.3
83.39597	1.1
84.08148	5.8
85.02891	7.3
86.09689	2.1
87.05577	1.1
87.56772	0.9
91.05801	1.5
97.02898	2.9
97.43986	1.2
98.97569	2.3
107.04931	1.5
109.07644	1.0
110.07121	1.6
115.08662	1.2
116.98619	2.5
119.04910	2.1
127.03884	2.6
129.10208	1.9
133.06461	1.4
134.05998	1.5
136.06168	1.6
137.06039	1.2
146.06055	1.1
147.04401	4.6
147.06795	6.5
148.07532	1.5
152.98645	1.1
159.12956	1.1
160.07541	2.1
160.11302	1.2
161.01114	1.6
163.03918	3.8
163.79440	1.0
170.06003	2.5
174.05569	1.9
175.06291	25.4
176.07053	5.5
186.05510	3.0
187.06215	1.4
188.07048	53.9
204.06543	89.2
205.06876	2.0
216.06558	17.4
216.10201	1.2
219.01826	1.6
234.07588	51.1
234.11288	2.6
235.07933	2.5
237.02817	2.1
252.08655	100.0
253.08983	3.5
353.81885	1.1
396.12628	1.5
414.13843	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	414.2306
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08983	0.8
51.60635	0.7
53.03927	2.4
55.01865	2.4
55.05506	12.8
56.71899	0.8
57.03432	1.9
57.07062	1.4
58.99580	4.4
61.08530	0.6
65.03920	1.6
67.05500	31.7
69.03421	2.1
69.07065	11.3
70.06580	2.7
71.04982	3.5
71.75008	1.1
72.08163	3.9
76.02226	7.9
79.05483	21.0
81.03413	1.8
81.07052	28.7
83.04977	3.3
83.08604	4.8
84.04482	1.7
85.01122	0.8
85.02916	1.7
85.06519	1.8
85.79231	0.8
86.00656	2.4
86.99036	3.1
87.02678	1.5
88.03965	0.9
91.05468	26.7
93.07037	18.7
93.22504	0.8
95.04966	7.4
95.08597	18.7
96.08118	0.8
97.06518	2.1
97.10167	2.2
103.05450	1.5
104.10684	0.9
105.00082	3.0
105.07023	34.2
106.07309	0.9
107.04958	3.6
107.08582	12.2
109.06497	3.5
109.10139	14.0
111.08086	1.7
112.28700	0.7
115.05449	0.9
117.07008	8.8
119.08581	26.5
121.06493	3.2
121.10130	7.7
122.02717	29.5
123.08027	2.6
123.11700	3.0
125.09602	1.4
128.06244	1.5
129.06995	4.6
130.53874	0.8
131.08562	11.2
132.01129	2.3
133.06482	2.1
133.10110	21.4
135.08061	3.1
135.11656	2.5
137.09612	4.6
139.11208	1.0
141.06998	1.4
143.08543	3.3
145.06476	1.9
145.10133	8.2
147.07979	1.3
147.11674	16.6
148.12012	0.9
149.09602	6.8
149.13271	1.7
151.11191	1.0
155.08568	2.0
157.10152	3.0
159.04727	3.0
159.07973	1.2
159.11690	7.0
161.09596	1.3
161.13268	5.7
163.11198	2.0
165.09106	1.0
169.10150	2.7
171.11707	2.9
173.09605	1.0
173.13219	6.7
175.07524	1.0
175.11183	1.4
176.07452	2.0
177.12733	1.5
183.11682	2.1
185.09546	1.2
185.13226	1.3
187.11166	2.1
187.14796	1.9
197.09476	1.0
197.13342	1.7
202.08951	2.2
210.14958	1.1
219.17245	1.1
224.11057	1.9
229.19527	2.3
233.15359	1.5
239.17992	1.9
242.12082	3.5
247.20549	3.3
257.18991	5.6
265.21619	1.9
275.20041	100.0
276.20428	5.3
285.14853	1.5
288.12585	4.3
288.18091	1.2
293.21112	8.4
316.15683	2.5
378.20532	1.1
414.08762	1.2
414.23590	4.1
415.21045	3.7
432.22125	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.3774
Annotation	Adiantone
Peak:m/z	Relative Intensity
53.03934	1.2
55.01864	0.5
55.05501	3.9
57.07071	5.7
63.66735	0.5
67.05494	3.5
69.07062	8.3
70.07439	0.5
71.08624	4.1
71.48975	0.9
72.08501	0.4
79.05068	0.8
79.05484	8.7
81.07047	14.0
83.04974	8.3
83.08614	3.8
83.65907	0.5
85.10172	3.5
91.05474	2.3
93.07041	4.5
95.04964	1.0
95.08600	9.9
97.06520	98.7
97.10126	3.6
98.06865	0.9
105.07027	3.1
107.04932	0.9
107.08572	4.8
109.06506	100.0
109.10138	4.9
110.06837	1.9
111.11726	2.3
117.07044	0.5
117.95170	0.5
119.08554	3.5
119.83489	0.5
121.06476	1.3
121.10140	2.8
123.08051	12.2
123.11677	2.8
125.13231	0.6
131.08582	1.6
133.10107	2.8
135.11667	2.9
137.09593	0.6
137.13248	1.4
143.08585	0.8
145.10123	2.9
147.11687	2.7
149.09692	0.6
149.13242	2.7
151.11186	0.8
151.14815	0.7
157.10164	1.4
159.11627	3.7
161.13264	2.1
163.11176	1.9
163.14877	1.1
165.16371	1.0
171.11703	1.0
173.13258	2.0
175.14822	1.3
177.12804	1.4
177.16339	0.7
185.13217	1.1
187.14819	1.3
189.16360	1.1
190.36787	0.5
191.14336	0.9
199.14899	1.2
201.16362	1.6
203.14323	0.9
205.25253	0.5
213.16382	1.7
215.17960	2.1
217.15829	0.6
219.17371	0.6
227.17921	1.6
229.19414	0.5
241.19485	1.9
255.21085	1.9
259.20401	0.7
269.22659	0.8
273.21976	0.5
283.24283	0.8
297.25858	1.0
319.28098	0.5
325.29282	0.5
366.76627	0.5
374.50516	0.6
395.36707	7.7
413.37735	70.4
414.38147	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	413.3046
Annotation	Sargachromanol C
Peak:m/z	Relative Intensity
51.06886	5.0
52.85187	4.6
54.26817	6.4
55.05498	19.6
57.07066	6.1
67.05504	33.7
69.07059	35.2
71.74934	8.9
79.05479	21.2
81.07047	92.0
91.05466	13.0
93.07034	35.9
95.08601	100.0
97.10136	13.5
105.06999	15.9
107.08592	44.9
109.06500	6.9
109.10151	72.1
111.11723	10.2
119.08586	19.3
120.82352	5.2
121.06518	6.8
121.10145	39.1
123.11698	35.8
125.05965	15.1
133.10104	8.2
135.11696	27.4
137.05997	38.4
137.13239	10.2
147.11670	8.1
149.13216	32.3
153.05464	64.5
154.05675	9.4
161.13257	7.6
163.07536	6.0
163.14818	23.4
175.07477	10.2
177.09029	20.0
177.16420	11.6
191.10654	13.2
191.17900	14.4
193.08601	8.0
201.16383	6.7
203.17877	6.9
273.25781	10.8
279.60458	7.7
342.26791	6.4
395.29233	13.3
413.30408	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	413.3621
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	2.9
55.05508	64.5
57.03437	18.9
57.07069	54.6
67.05496	21.9
69.03397	2.5
69.07063	77.6
70.25003	10.8
71.08621	36.6
72.08151	2.9
72.47246	2.4
75.04502	2.4
79.05480	8.5
81.07053	33.6
83.08617	52.9
85.10181	17.3
91.05496	2.9
93.07036	15.4
95.08601	30.0
97.06515	11.2
97.10160	32.1
107.08594	9.3
109.10120	12.4
111.08076	4.8
111.11707	10.8
121.10125	12.6
123.11710	6.4
125.09640	9.4
125.13232	2.6
129.09169	3.0
135.11720	11.3
137.13312	3.1
139.11121	6.5
149.13234	6.9
153.12694	5.3
154.83348	2.8
163.14833	6.9
167.14359	5.6
191.17961	2.7
219.21022	3.5
223.20628	2.8
303.30460	6.0
321.31546	13.9
395.35376	15.9
413.36230	100.0
414.36469	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	413.3046
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	6.8
55.01862	8.4
55.05508	38.3
57.03419	8.3
57.07059	6.0
59.04979	3.5
64.54554	3.4
67.05499	54.0
69.03429	20.4
69.07063	28.9
69.92407	14.5
69.92825	5.4
70.06591	8.2
71.04987	8.7
72.08133	5.6
77.09697	3.3
79.05073	5.0
79.05489	44.6
81.03419	17.8
81.07049	96.4
82.07383	3.6
83.04984	15.2
83.08604	16.4
85.02882	7.7
85.06522	9.1
86.09696	3.6
91.05470	48.8
93.06448	3.1
93.07038	73.2
95.04945	10.4
95.08601	100.0
97.02884	9.2
97.06536	15.0
97.10164	13.4
99.04440	12.2
99.06302	3.3
101.06018	8.3
103.05444	4.6
105.07021	67.1
107.04936	6.3
107.07916	5.7
107.08588	86.7
109.02885	7.2
109.06531	10.2
109.10151	64.3
111.04362	3.5
111.08064	8.8
115.05444	4.2
115.07504	4.4
117.06996	21.1
119.08571	71.2
120.03241	3.0
121.06490	5.1
121.10137	52.1
122.02716	4.3
123.08057	8.6
123.11694	11.8
125.05971	3.7
125.09637	15.4
127.03909	7.9
128.06158	6.7
129.07013	13.2
130.07747	3.9
131.08571	38.6
133.10109	67.2
135.04453	3.3
135.08069	12.4
135.11682	30.1
137.02316	4.8
137.06020	3.5
137.08582	3.0
137.09621	11.2
137.13210	3.8
139.11162	4.0
142.07820	4.7
143.08521	24.8
145.06430	4.4
145.10097	49.7
147.04425	4.5
147.08005	5.6
147.11668	57.2
149.09613	11.0
149.13246	33.5
151.07521	5.2
151.11143	7.0
153.09131	3.8
155.08536	6.5
156.09311	4.1
157.10074	24.3
158.10910	4.4
159.08055	8.4
159.11681	59.8
161.09625	6.3
161.13245	29.5
163.11134	5.5
163.14767	7.7
165.12666	4.9
166.84196	3.2
169.10115	11.9
171.11662	20.8
172.12347	3.5
173.13283	28.9
175.11182	10.1
175.14812	14.9
177.09126	4.3
177.12764	11.7
177.16377	10.2
179.10658	4.7
179.14297	4.4
183.11676	10.1
184.12321	3.3
185.13249	15.9
187.14803	24.6
189.05440	3.5
189.11208	6.0
189.12730	10.0
189.16374	19.0
191.10742	3.4
191.14308	11.2
193.12238	11.6
195.13792	9.4
197.13303	13.6
199.14752	16.1
201.16379	28.6
203.14330	7.3
205.12209	3.3
205.15904	10.5
206.93315	3.3
207.13756	7.5
209.13258	5.3
209.15300	6.5
211.14819	8.3
213.16470	12.2
215.14256	3.8
215.17894	6.3
217.15868	8.8
219.17421	19.2
225.16335	6.2
227.18068	7.4
231.17528	3.1
233.15268	3.8
235.17120	4.0
239.17921	6.5
245.18956	4.4
247.16832	5.4
249.18552	4.5
253.19528	12.0
255.17336	3.1
257.18936	5.1
258.17004	4.1
263.19989	3.9
269.17493	3.7
271.20493	7.7
275.20010	5.1
285.18307	4.3
295.24210	5.7
299.05414	7.4
301.21600	10.2
311.05475	13.1
312.24362	5.6
313.07153	5.1
313.25290	6.8
339.04886	9.5
355.26266	15.5
363.21622	3.7
367.08167	6.0
368.07794	3.6
377.28506	7.5
383.29324	8.2
395.07434	8.8
395.24887	6.1
395.29468	68.8
396.29633	5.1
413.08572	26.3
413.20691	6.4
413.25189	25.8
413.30267	80.5
414.08896	6.0
414.23898	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	413.3044
Annotation	Testosterone cypionate
Peak:m/z	Relative Intensity
53.03928	3.1
55.01863	3.1
55.05516	18.5
57.03431	4.3
57.07054	4.0
58.56707	3.0
67.05499	28.5
69.03405	3.2
69.06777	2.2
69.07059	22.0
70.03643	12.3
71.04978	4.4
79.05476	19.6
81.06604	5.2
81.07049	65.3
83.04961	6.5
83.08604	9.7
85.02901	3.0
85.06522	6.8
91.05463	25.6
93.07038	47.1
95.05007	3.8
95.08012	4.6
95.08597	78.4
97.06515	9.8
97.10139	5.8
98.20695	3.2
99.04449	7.2
101.06010	5.6
105.07021	58.6
107.08582	63.3
107.82492	2.7
109.06528	7.9
109.10150	48.1
111.08089	17.4
115.07552	3.8
117.06990	7.0
119.08566	48.6
121.06520	4.1
121.10126	48.5
123.08026	6.5
123.11691	14.4
129.06958	4.3
131.08583	26.4
133.10115	47.7
135.08057	11.2
135.11688	21.7
137.09590	8.1
141.07034	3.5
142.07829	3.3
143.08562	15.6
145.10121	42.4
147.11656	40.7
149.09621	9.4
149.13235	23.1
155.08591	7.2
157.10120	20.9
159.11696	35.7
161.09660	7.1
161.13297	22.3
163.11186	8.2
163.14815	11.6
167.10666	5.0
169.10159	6.3
171.10255	3.6
171.11641	19.2
173.13194	17.0
175.11197	10.2
175.14818	13.0
177.12767	12.0
177.16342	7.0
183.11740	6.8
185.13298	13.9
187.14769	24.5
189.12708	16.4
189.16348	10.6
191.14256	6.8
193.12267	4.4
195.13832	6.2
197.09361	3.4
197.13271	11.0
199.14796	16.4
201.16376	19.7
203.14299	11.0
203.17920	4.7
205.15881	10.9
207.13802	6.1
209.13347	3.4
211.14786	5.7
213.16356	12.0
215.17917	6.2
217.15842	8.6
219.17355	3.6
221.15329	5.2
225.16356	5.9
227.18040	4.9
229.19421	3.8
231.17448	5.0
235.16859	3.2
239.17932	7.5
241.19409	3.4
243.17386	6.3
243.21118	3.2
245.18901	4.5
251.18149	3.2
253.19505	6.2
257.19019	7.5
259.16687	3.3
261.18454	4.2
263.20187	4.0
267.20935	5.1
271.20563	7.7
275.20212	4.1
295.24393	3.8
301.21649	5.2
313.25211	5.2
340.98444	3.5
355.26343	8.4
362.98083	3.0
377.28317	15.8
378.28595	3.4
383.29407	5.3
385.30951	7.8
395.29510	63.8
396.30072	4.0
413.08969	3.5
413.22137	4.7
413.30484	100.0
414.30600	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	413.268
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70908	2.2
56.89254	2.2
57.68236	2.0
58.03127	2.0
69.07059	23.9
71.75185	3.7
81.07040	3.9
83.01308	3.4
91.05489	5.9
93.07026	10.6
105.07010	2.8
107.08577	16.8
109.06504	5.8
117.02422	2.1
119.08531	3.0
121.06498	4.8
123.11691	13.4
131.08588	3.4
135.08090	6.4
135.11653	31.0
137.06032	2.9
149.09579	5.7
153.05466	8.7
159.08034	7.6
162.06714	4.2
163.07520	8.5
165.05461	87.8
177.09074	13.4
187.07500	4.6
205.08585	58.3
211.09645	6.6
215.60994	2.6
220.81783	2.7
221.11720	19.2
223.09616	100.0
263.51898	2.5
277.24045	2.2
287.16364	68.9
291.15887	7.9
345.20566	32.4
357.20709	10.1
438.79788	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	413.2144
Annotation	Glu Lys His
Peak:m/z	Relative Intensity
50.94178	0.3
58.64720	0.3
69.03410	0.4
69.07050	0.4
70.06576	1.5
70.08752	1.4
72.08156	0.7
73.06540	1.0
83.04983	0.5
84.08121	0.5
85.02882	0.8
86.09686	0.5
91.05522	0.5
95.08583	0.9
97.02857	0.4
105.07004	0.9
107.04904	0.4
107.08562	0.5
109.02826	0.5
122.07105	1.0
137.02309	0.8
137.09583	0.7
149.11664	0.5
168.49033	0.4
195.02998	0.4
203.05255	1.4
225.41782	0.4
251.96042	0.4
258.50348	0.5
293.15948	0.6
299.05563	2.2
311.05478	2.3
311.16953	0.5
337.06992	1.1
339.08704	1.1
365.06406	1.7
366.07120	0.4
395.07654	2.2
413.21420	100.0
414.21640	7.1
414.26614	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2167
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	12.9
55.01860	11.1
55.05259	4.1
55.05505	26.6
57.03426	33.9
61.02889	4.8
67.05499	60.4
69.03423	43.0
69.07054	29.8
70.06580	7.4
71.04980	12.9
71.73328	5.1
73.02892	8.3
75.29815	3.8
79.05482	44.3
81.03414	73.4
81.07050	100.0
83.04960	21.1
83.08607	19.7
84.08134	5.2
85.02908	22.7
85.06499	6.0
85.07686	4.3
86.38847	3.8
87.04461	4.3
91.05465	38.8
93.07032	69.0
95.04947	15.3
95.08586	49.9
97.02888	27.9
97.06504	12.5
97.10159	7.3
99.04426	15.0
99.08066	4.4
101.02417	4.2
103.03950	20.8
103.05479	5.5
105.07030	29.1
107.04922	5.5
107.08583	35.8
109.02837	23.7
109.06496	10.5
109.10143	24.5
111.04413	17.7
111.08096	8.5
115.03941	4.5
117.07011	17.3
119.08575	24.6
121.06481	7.7
121.10159	22.7
123.08033	11.0
123.11672	13.2
125.02392	4.3
127.03909	27.9
129.05452	6.7
129.06982	10.9
131.08543	17.2
131.11212	5.1
133.10126	28.0
135.08064	5.5
135.11679	16.6
137.05977	4.6
137.13235	6.2
139.03862	7.4
143.08507	4.3
145.10081	12.7
147.11633	13.6
149.09569	6.5
149.13208	21.4
153.05484	5.6
153.55701	3.6
157.10133	3.7
159.11670	14.2
161.09682	4.6
161.13251	13.4
165.09132	4.4
165.12787	4.6
171.11679	8.3
173.13301	4.2
177.12737	7.6
179.14273	6.8
183.06508	10.1
189.09177	4.0
195.13812	16.4
201.07553	6.7
205.12198	4.5
207.13754	4.1
241.08327	4.6
254.17424	5.8
269.17389	8.5
275.16452	7.0
285.14676	5.6
299.05374	7.9
303.15845	9.2
322.71112	4.2
339.17947	9.5
395.07785	5.1
395.20834	4.8
395.29483	6.3
413.21735	47.2
413.29987	19.6
414.23923	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	413.1913
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.9
53.90273	0.3
55.01855	0.6
55.05504	4.1
56.05021	0.4
57.03408	1.6
58.06578	0.5
59.04991	0.7
61.02926	2.0
67.05473	0.5
69.03425	6.4
70.06586	3.6
70.21802	1.9
71.01315	0.4
71.04967	0.5
71.07338	0.4
72.08146	34.1
73.02885	1.6
74.06040	0.5
74.17351	0.4
77.33966	0.4
79.05483	3.9
81.03402	2.4
82.06534	0.4
83.04953	0.5
84.04494	0.4
84.08096	1.6
85.02894	7.3
85.07614	0.6
86.09671	1.5
87.04465	0.9
91.05438	1.1
95.04961	0.4
96.61804	0.4
97.02884	4.2
99.04435	1.0
99.09180	1.6
100.07605	0.9
101.06000	1.9
102.05515	0.6
103.05406	0.4
104.10686	0.4
105.03384	0.4
105.06976	0.5
106.06544	9.1
107.04941	9.1
109.02820	1.1
110.07158	0.5
112.12550	0.4
117.05717	1.2
118.06532	3.2
118.08632	5.0
120.08082	0.6
127.03874	1.6
128.07065	0.6
129.10204	0.7
130.06508	0.8
131.06038	3.4
132.06830	8.5
133.06860	0.4
133.07623	4.0
134.06027	0.9
143.08485	0.5
145.07550	0.4
146.05977	0.5
146.09563	0.4
153.04010	0.6
160.11203	3.6
162.07681	0.4
172.09898	0.8
187.12291	25.2
188.10675	0.5
188.12552	0.5
205.13365	8.5
206.11726	1.3
215.01613	0.4
233.12910	5.1
233.15176	0.5
248.81638	0.4
251.13879	100.0
252.14156	2.9
290.62592	0.4
299.05603	0.4
336.66553	0.4
341.06503	0.7
395.07571	0.5
395.17764	0.4
413.19135	49.1
414.19388	1.8
417.37054	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1557
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.2
55.01855	1.5
57.03427	6.7
58.12426	0.7
61.02913	1.5
68.99770	1.7
69.03419	12.2
69.07051	0.6
69.67340	5.5
70.06573	1.7
71.04982	2.4
73.02884	2.0
79.05474	0.6
81.03402	15.5
81.07027	0.9
83.97567	0.6
84.08112	1.7
85.02895	16.2
86.09692	1.1
87.00821	1.4
91.05470	2.1
93.97512	0.7
97.02880	29.8
99.04444	6.0
101.02370	26.4
101.03055	1.0
105.07008	1.5
109.02863	20.8
110.07107	0.8
116.04968	14.8
119.03404	100.0
120.03682	1.4
121.06504	0.8
123.32935	0.7
127.03902	28.1
131.03391	6.7
131.04883	0.7
133.06470	1.0
137.02264	0.7
137.05972	6.9
142.79996	0.6
145.04947	15.8
146.05272	1.2
159.08095	0.7
161.04498	1.0
161.05971	1.8
163.07527	1.3
173.04436	13.9
175.07515	3.0
187.07538	1.0
192.71724	0.8
197.04390	0.7
199.07635	0.8
202.05975	2.4
209.08049	1.1
219.08032	0.8
226.72256	0.7
227.05447	2.3
244.28575	0.7
245.06516	6.6
258.10477	0.7
263.07449	0.7
274.60507	0.7
293.11707	0.7
299.05518	1.8
307.09705	0.9
309.11154	1.5
321.11234	1.4
335.12851	1.3
395.07022	0.7
395.15161	1.1
413.15637	16.3
414.15985	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1778
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03912	1.5
55.01849	1.3
55.05507	3.2
57.03429	2.8
57.07041	0.8
59.04956	2.1
65.03905	1.0
67.05495	6.6
69.03419	5.0
69.07059	2.6
70.06552	1.4
71.04947	1.6
71.75256	0.8
72.08128	0.8
73.02887	0.6
79.01823	1.0
79.05486	5.2
81.03407	6.1
81.06617	0.7
81.07044	11.5
83.04977	2.6
83.08574	1.5
84.04478	0.7
84.08135	1.2
85.02850	2.5
85.06498	1.7
86.09669	0.6
87.04434	1.1
89.03904	0.8
89.06009	2.9
91.05466	5.8
93.03380	1.0
93.07032	7.6
95.04986	3.2
95.08014	0.6
95.08585	6.5
97.02840	2.4
97.06480	2.0
97.10109	0.6
99.04414	1.4
99.08099	0.8
99.59315	0.6
101.02325	0.6
104.07063	0.8
105.07001	5.6
107.04910	1.8
107.08574	5.7
109.02861	2.6
109.06450	1.9
109.10143	6.3
111.04387	1.1
111.08053	0.8
117.03358	0.6
117.06953	1.6
117.42720	0.5
119.04955	0.7
119.08591	3.2
121.02828	1.3
121.06465	1.6
121.10131	3.5
122.31058	0.5
123.04411	1.1
123.08032	1.2
123.11671	1.6
123.97959	0.6
125.05984	0.5
125.09577	0.6
127.03867	1.6
129.05437	0.8
129.06979	0.7
130.05009	0.7
131.08549	2.9
133.06435	1.1
133.08568	1.1
133.10117	5.4
135.04420	5.0
135.08028	1.7
135.11650	3.0
137.02335	13.4
137.03371	1.3
137.05943	2.2
137.09550	1.4
139.11124	1.3
141.05502	0.7
141.07010	0.7
143.08617	1.0
144.09319	0.6
145.06352	0.6
145.10094	3.5
147.04262	0.6
147.11670	2.8
149.02301	2.0
149.09612	1.8
149.13225	2.1
151.07492	1.3
157.06502	0.8
157.10085	1.5
159.04993	0.6
159.07933	1.1
159.11707	3.2
161.02325	1.9
161.05882	0.9
161.09550	1.0
161.13187	0.9
163.03864	1.9
163.07513	0.6
163.11105	0.7
165.05388	0.7
165.09085	2.4
165.12683	0.7
167.03371	1.7
167.07042	0.8
169.10095	0.9
171.11629	0.9
172.76416	0.6
173.09546	1.1
173.13197	2.5
175.11133	1.0
175.14769	1.0
177.01811	6.5
177.09009	1.4
177.12700	0.8
179.03328	1.7
179.10545	0.7
183.11658	0.8
184.50723	0.5
185.04208	5.4
187.14775	1.2
189.09111	0.8
189.12823	0.6
191.03362	2.0
193.04874	1.3
195.02829	0.8
195.13789	0.8
199.14842	0.7
203.10880	0.8
205.01268	1.6
209.13365	0.6
213.09549	0.9
215.14290	1.1
215.17987	0.8
217.15804	0.6
219.02882	6.9
229.04924	0.8
233.15318	1.8
235.05995	6.2
239.11458	0.7
243.14352	1.1
251.12550	83.0
252.12859	2.2
257.12183	0.8
261.03952	3.6
269.12402	6.6
269.17307	1.0
277.07010	1.8
279.04883	3.4
283.05988	2.4
287.05563	1.5
287.13358	5.5
292.13940	0.7
293.04443	0.8
295.06015	1.6
299.05444	11.2
300.05936	1.3
310.04398	0.7
310.15005	0.9
311.05463	31.6
312.05820	3.0
313.03519	1.0
313.07007	20.1
314.07581	1.3
315.04816	1.0
315.13248	0.7
323.05481	1.0
324.06281	1.2
325.06952	1.2
327.04980	2.2
339.04953	100.0
340.05280	10.3
353.06601	1.2
367.07959	0.8
369.18475	1.1
371.07614	3.9
385.09183	0.9
395.07474	6.2
395.15710	1.2
395.20996	0.9
396.07996	1.0
413.08771	37.7
413.17435	52.1
413.30286	1.3
414.09036	5.1
414.17728	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	413.1411
Annotation	t(6)a
Peak:m/z	Relative Intensity
52.23453	0.2
54.39137	0.2
55.86747	0.3
56.05016	0.9
57.02482	0.3
62.99607	0.3
70.06583	2.2
71.74289	0.6
72.08141	0.9
74.06076	2.4
76.02224	0.3
76.61886	0.2
81.03406	0.3
84.04467	0.5
84.08121	1.3
85.02879	0.3
86.09681	0.5
91.05454	0.3
94.04058	0.3
102.05531	1.1
105.03378	0.3
107.04935	0.7
109.02905	0.4
110.07161	0.6
119.03540	2.3
119.04883	0.3
120.05252	0.4
120.06566	7.3
120.07941	0.4
122.11597	0.3
129.10268	0.4
136.06168	100.0
137.04591	2.2
137.06529	0.7
147.04402	3.5
148.04718	2.5
148.87248	0.3
162.04092	58.9
163.04585	0.3
165.07434	0.3
179.04828	0.5
204.46320	0.3
251.12933	0.4
268.10361	1.0
281.09900	44.3
282.10086	0.6
294.08301	0.6
315.41061	0.3
413.13263	0.4
413.18323	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19112	2.0
53.03942	3.8
55.01854	5.6
55.05503	3.1
56.05037	2.1
57.03427	4.3
58.72351	1.8
60.04504	2.3
61.02897	3.7
65.03948	3.0
69.03420	18.5
70.06578	12.7
71.04988	2.1
71.75570	2.8
72.08145	28.3
73.02889	3.7
79.05486	2.4
81.03407	16.4
84.04504	4.0
84.08134	3.9
85.02892	41.4
86.09693	7.8
87.00826	20.8
91.05468	100.0
95.04954	2.5
95.41465	1.8
97.02874	22.5
99.04430	6.1
102.05528	1.9
103.05468	6.1
105.01844	21.1
105.07011	4.3
106.06548	6.2
107.04930	3.9
109.02840	14.4
110.07142	4.8
111.42106	1.8
114.05520	2.1
120.08101	6.6
121.10463	1.9
124.03971	1.8
127.03890	31.3
129.01799	2.2
129.06985	2.1
130.06514	10.1
131.04929	4.1
136.07588	2.9
137.05936	2.0
145.04962	12.0
147.04375	2.3
147.09117	3.8
148.03879	2.5
148.07552	29.4
149.05931	2.8
159.02885	7.8
166.08635	6.7
171.11292	2.4
172.07506	2.0
185.09206	3.7
189.03932	2.8
203.95712	2.1
231.04945	6.9
236.99054	4.3
255.00174	6.5
256.16504	3.0
281.07285	2.7
299.05560	5.4
327.03754	6.8
369.11429	4.2
378.12143	2.2
396.12964	3.4
413.10120	7.1
413.15616	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	413.0865
Annotation	Arteminorin B
Peak:m/z	Relative Intensity
57.03421	0.4
59.12069	0.4
63.42826	0.3
65.71065	0.3
67.05485	0.8
69.03411	0.7
69.89305	1.8
69.89717	0.9
70.06547	0.4
72.08120	0.5
76.00912	0.3
79.05456	0.8
81.03379	1.1
81.07009	1.4
83.78710	0.4
85.02898	0.3
86.06065	0.4
93.07027	0.5
95.04937	0.5
95.08582	1.1
97.02893	0.5
105.06987	0.7
106.94628	0.4
107.08581	0.8
109.02866	0.7
109.10123	0.4
119.08521	0.7
121.02812	0.8
121.10125	0.4
123.04436	0.5
123.11634	0.4
135.04420	3.5
137.02333	6.5
137.09590	0.4
145.10135	0.4
149.02336	1.4
149.13293	0.4
161.02324	1.1
163.03833	1.6
167.03336	1.0
177.01810	5.0
179.03316	0.5
189.05467	0.5
191.03343	1.6
193.04958	1.1
195.02846	0.9
195.11597	0.4
205.01268	1.7
217.05032	0.6
219.02876	3.9
235.06026	3.5
243.02873	0.5
258.17059	0.6
259.17285	0.4
261.03925	1.5
265.04871	0.5
271.05936	0.5
277.07126	0.8
279.04971	1.2
283.06046	1.4
287.05444	1.4
295.05984	0.8
299.05444	3.6
300.06052	0.6
311.05466	62.7
312.05954	5.7
313.07013	7.9
314.07300	0.9
324.06335	1.2
325.07040	7.1
327.05133	0.6
327.08719	1.5
329.06543	1.4
339.04965	67.0
340.05392	5.9
343.08044	0.5
351.08551	1.0
353.06512	1.9
367.08167	2.0
369.09677	2.2
371.07654	1.9
385.09268	0.4
395.07596	3.2
413.08630	100.0
414.08994	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	413.0865
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03912	0.5
55.01829	0.8
55.05458	1.3
57.03396	0.7
65.03894	0.4
67.05495	3.0
68.99750	0.5
69.03428	2.1
69.07014	1.2
69.38578	1.4
69.39008	1.9
69.56092	0.3
70.06546	0.6
71.04952	0.4
72.08131	0.4
79.01786	0.9
79.02196	0.3
79.05486	2.0
80.18111	0.3
81.03413	3.4
81.07054	3.8
81.07491	0.6
83.01253	0.3
83.04933	0.9
83.08558	0.8
84.08115	0.6
85.02840	1.0
85.06483	0.3
87.04424	0.4
89.03862	0.5
91.05479	2.2
93.03348	0.7
93.07055	2.3
95.04898	1.2
95.08595	2.2
97.02821	1.0
97.06470	0.6
97.10086	0.4
99.04423	0.7
101.02305	0.3
103.03873	0.6
103.05405	0.4
105.07022	1.9
107.04872	0.8
107.08564	1.9
109.02856	1.5
109.06464	0.6
109.10136	1.7
109.12521	0.3
111.04384	0.6
117.03307	0.6
117.06962	0.5
118.65594	0.3
119.08582	1.7
121.02879	1.4
121.06448	0.7
121.10077	0.9
123.04337	0.3
123.07990	1.0
123.11671	0.5
125.05934	0.3
125.09543	0.5
127.03847	0.9
129.05461	0.4
129.06985	0.4
131.08519	0.9
133.02794	0.4
133.06451	0.5
133.10130	1.5
135.03499	0.4
135.04407	5.8
135.07977	0.7
135.11647	0.7
137.02332	12.3
137.05879	1.0
137.09517	0.7
143.08505	0.5
145.06369	0.4
145.10048	1.3
147.07977	0.3
147.11607	1.1
149.02328	2.2
149.09529	0.6
149.13179	1.1
151.03871	0.4
151.07437	0.9
157.10085	0.7
159.07988	0.5
159.11647	0.9
161.02309	2.1
161.05943	0.4
161.09543	0.4
161.13252	0.6
163.03888	2.1
165.05510	0.3
165.09091	1.7
167.03445	1.8
173.09636	0.5
173.13199	0.9
175.11105	0.5
177.00401	0.4
177.01826	6.6
179.03403	1.9
181.06432	0.8
185.04109	0.8
187.14793	0.6
189.12642	0.7
191.03383	2.4
192.04060	0.5
192.13814	0.4
193.04929	1.2
195.02791	1.1
195.13763	0.8
203.03378	0.4
203.10414	0.3
205.01286	1.2
205.04988	0.3
207.06476	0.5
207.13788	0.4
209.05850	0.4
211.11324	0.3
217.04941	0.5
219.02870	7.3
223.02382	0.4
229.04921	0.8
233.04326	0.3
233.15308	0.5
235.05984	5.9
235.13214	0.4
236.06476	0.3
237.03691	0.5
237.05728	0.4
251.12566	13.2
255.06403	0.5
259.05978	0.8
261.03946	2.9
265.04950	0.7
269.12329	1.3
271.05902	0.3
271.62622	0.3
277.07120	1.5
279.04904	3.1
283.05991	1.9
287.05408	1.7
287.13364	0.9
293.04471	0.6
295.05994	1.1
297.16620	0.3
299.05478	9.1
300.06003	0.9
309.11624	0.3
311.05472	31.3
312.05817	2.0
313.07025	17.1
314.07349	1.5
315.13480	0.4
324.06195	0.9
325.07092	0.5
327.04919	2.6
328.96750	0.3
339.04962	100.0
340.05383	6.1
343.08722	0.3
353.06561	0.4
367.08160	0.7
371.07623	3.8
385.09146	0.9
395.07529	3.3
413.08649	31.9
413.16904	7.2
413.30508	0.7
414.09064	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.0861
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	0.4
55.01863	1.8
57.03431	1.4
61.02908	0.6
63.10231	0.1
65.03921	0.4
67.01851	0.3
67.05490	0.3
67.54214	0.1
68.99776	2.1
69.03402	0.6
70.06564	0.5
70.23538	0.3
70.23934	0.2
72.08128	1.0
79.01840	0.3
79.05470	0.5
80.33082	0.1
81.03404	1.6
81.07045	0.3
84.04486	0.2
84.08133	1.1
85.02895	2.8
86.09688	0.4
87.04467	0.1
89.03886	0.4
91.03912	0.4
91.05465	1.8
92.99753	0.6
93.03383	0.3
95.01276	0.2
95.04941	0.6
97.02876	1.1
98.20764	0.2
99.00797	0.1
103.03932	0.1
103.05446	0.5
105.03366	0.3
107.01266	0.1
107.04919	0.7
109.02866	1.7
109.06498	0.3
111.04420	0.3
113.49811	0.1
114.05540	0.1
115.05426	0.4
117.03352	0.5
119.04916	1.0
119.08546	0.2
120.08157	0.2
121.02855	2.3
121.06477	0.3
123.00760	0.3
123.04402	0.2
127.03876	0.5
127.12286	0.3
128.07039	0.2
131.04906	1.3
133.02873	0.2
134.03685	0.2
135.04393	4.6
137.02327	10.1
137.03416	0.6
138.02647	0.2
139.03941	0.2
141.01799	3.3
145.02832	0.6
145.03906	0.1
147.04385	1.6
149.02344	0.8
149.05978	0.3
149.10747	0.7
150.11101	0.2
153.01802	0.6
157.02925	0.2
157.67592	0.1
159.04369	1.1
161.02327	4.1
161.05969	0.2
163.00230	0.5
163.03885	2.3
165.01814	19.5
166.02106	0.4
167.03362	1.6
167.08597	0.1
169.02769	0.3
171.02983	0.2
171.04405	0.4
173.02344	0.5
175.03917	0.9
177.01740	0.6
177.05440	1.7
178.99736	0.3
179.03375	2.3
179.08447	0.2
181.04926	0.7
183.02866	11.4
184.03223	0.3
184.07375	0.2
185.02293	0.2
187.03867	2.7
189.01810	1.6
190.02545	0.5
190.99757	0.4
191.03366	1.1
191.08495	0.1
193.04892	0.4
195.02901	0.3
195.06516	0.3
197.00684	0.7
197.02353	0.2
199.03828	0.3
201.01732	0.1
202.02600	0.3
203.03374	2.0
205.01430	0.2
205.04915	3.1
207.02850	0.9
208.03622	0.5
209.00758	0.8
213.05328	0.3
215.03331	1.3
219.08061	0.3
220.85565	0.2
221.04488	0.7
223.02364	0.1
223.05861	0.2
229.04848	0.4
231.02872	0.6
233.04355	1.8
241.04926	0.2
243.02884	0.9
245.04274	0.7
247.02255	0.3
247.07619	0.2
249.03815	0.3
255.06485	0.3
258.05133	0.4
261.03857	1.2
265.03278	0.3
265.08713	0.2
268.07275	0.3
269.04520	0.2
269.08289	0.2
270.05164	0.2
271.05997	1.0
272.06784	0.2
279.06534	0.2
283.05991	4.4
284.06445	0.3
285.03873	0.2
286.04630	1.6
287.05450	7.7
288.05768	0.4
289.03403	0.5
293.08066	0.8
294.08926	0.2
295.05951	4.3
295.09247	0.3
296.06845	0.9
297.03949	0.8
297.07538	3.6
298.04648	0.2
298.07831	0.3
299.05450	100.0
300.05850	6.8
303.06528	0.3
305.08270	0.3
307.05972	0.5
307.23666	0.2
309.07434	2.1
310.04630	0.7
311.05441	6.3
311.09116	5.6
312.05978	0.4
312.09384	0.3
313.03357	1.2
313.07022	4.5
314.07291	0.4
321.07523	5.7
322.07864	0.4
323.05457	4.5
324.06216	4.4
325.03339	3.7
325.07016	9.9
326.03845	0.4
326.07379	0.5
327.04919	1.7
327.08401	0.3
329.06497	2.8
331.04526	0.2
335.05374	0.3
336.06213	0.5
337.07013	6.6
338.07596	0.6
339.05133	1.4
339.08578	32.9
340.08884	2.2
341.06534	0.5
349.07016	6.4
350.07452	0.4
351.04926	1.3
351.08575	0.2
352.05600	0.4
353.06503	4.9
354.06900	0.2
365.06509	24.3
365.92218	0.2
366.06863	1.7
367.08078	8.5
368.08414	0.5
369.06027	0.2
377.06503	11.7
378.06842	0.9
383.07547	7.3
384.07870	0.6
385.09576	0.2
395.07565	25.1
396.07864	1.9
413.08618	34.2
413.21259	2.2
414.08929	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	412.3167
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.0
55.01865	3.8
55.05497	2.6
56.05020	1.0
57.03423	3.7
58.06599	0.8
59.66941	0.8
60.08140	0.9
61.02925	8.4
63.50445	0.9
64.20416	0.8
65.03941	1.2
67.05488	2.5
68.99789	1.0
69.03425	4.9
69.07060	1.3
70.06582	10.1
70.14671	3.6
71.07368	1.4
72.08152	100.0
73.02906	4.0
73.08474	1.1
74.00665	1.2
79.05482	2.8
80.05022	1.5
81.03431	4.2
81.07034	3.4
81.90222	0.8
82.06574	26.9
83.01330	1.2
83.08601	1.2
84.04495	3.9
84.08138	33.6
85.02900	15.5
86.09708	8.3
91.03934	6.2
91.05483	3.3
93.07033	3.4
94.06552	1.8
95.04958	1.8
95.08595	3.3
96.08130	2.1
97.02884	7.1
98.09686	1.0
99.04404	1.3
105.07021	1.4
107.04942	1.7
107.08602	1.8
108.08105	3.5
109.02859	1.9
109.06498	1.4
109.10134	1.2
110.09691	1.2
112.08713	1.4
112.11241	7.6
116.07120	1.6
119.08598	1.4
120.08118	6.7
121.02853	2.3
121.10113	1.2
122.09645	1.2
124.99985	3.4
127.03911	1.5
127.12330	2.2
130.04991	2.9
131.08583	1.0
132.08086	1.0
133.06442	1.1
133.10091	1.4
134.09642	1.4
135.04402	3.6
137.02319	7.1
141.01810	2.4
141.32722	1.0
147.04434	1.4
147.07858	1.0
149.02272	1.1
149.09669	1.5
149.10741	14.1
150.11449	2.2
161.02354	3.5
161.05884	0.9
162.12740	1.0
163.03902	2.4
165.01814	13.4
167.03415	1.1
170.10562	1.1
177.05473	1.4
179.03381	1.6
183.02908	8.3
184.07332	22.2
185.03821	2.8
187.03885	2.7
203.03406	2.0
205.04939	2.7
206.15430	1.1
209.00847	1.2
224.16458	11.3
231.04385	3.5
232.17001	4.5
233.04359	1.5
247.04282	3.2
249.19576	1.1
250.18150	1.9
283.05832	2.2
286.04672	1.6
287.05463	6.9
295.06104	2.5
296.06631	1.0
297.03989	1.9
297.07544	3.0
298.20111	33.3
299.05484	88.9
299.20218	1.3
300.06271	1.5
300.21786	1.7
309.07407	1.4
311.05496	8.5
311.09143	5.3
313.03726	1.6
313.06931	4.5
315.04987	1.3
321.07584	4.8
323.05557	4.7
324.06100	4.5
324.21732	1.6
325.03329	2.3
325.07062	8.4
326.19598	1.0
327.05164	1.8
329.06564	3.6
336.06262	1.4
336.21710	1.0
337.06900	5.0
338.07330	1.1
339.04718	2.3
339.08643	26.9
341.24359	16.3
343.25931	1.7
349.07117	4.5
352.23523	1.7
353.06631	6.1
365.06564	25.2
367.08102	9.4
377.06552	8.3
383.07584	6.7
385.21640	5.8
386.21973	1.6
395.07614	26.8
395.13120	8.4
395.29019	34.6
396.29120	1.9
412.06824	1.0
412.19208	4.6
412.23849	3.0
412.31677	45.5
413.08838	39.8
413.13965	7.0
413.21735	12.8
413.31219	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	412.3167
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.0
55.01865	3.8
55.05497	2.6
56.05020	1.0
57.03423	3.7
58.06599	0.8
59.66941	0.8
60.08140	0.9
61.02925	8.4
63.50445	0.9
64.20416	0.8
65.03941	1.2
67.05488	2.5
68.99789	1.0
69.03425	4.9
69.07060	1.3
70.06582	10.1
70.14671	3.6
71.07368	1.4
72.08152	100.0
73.02906	4.0
73.08474	1.1
74.00665	1.2
79.05482	2.8
80.05022	1.5
81.03431	4.2
81.07034	3.4
81.90222	0.8
82.06574	26.9
83.01330	1.2
83.08601	1.2
84.04495	3.9
84.08138	33.6
85.02900	15.5
86.09708	8.3
91.03934	6.2
91.05483	3.3
93.07033	3.4
94.06552	1.8
95.04958	1.8
95.08595	3.3
96.08130	2.1
97.02884	7.1
98.09686	1.0
99.04404	1.3
105.07021	1.4
107.04942	1.7
107.08602	1.8
108.08105	3.5
109.02859	1.9
109.06498	1.4
109.10134	1.2
110.09691	1.2
112.08713	1.4
112.11241	7.6
116.07120	1.6
119.08598	1.4
120.08118	6.7
121.02853	2.3
121.10113	1.2
122.09645	1.2
124.99985	3.4
127.03911	1.5
127.12330	2.2
130.04991	2.9
131.08583	1.0
132.08086	1.0
133.06442	1.1
133.10091	1.4
134.09642	1.4
135.04402	3.6
137.02319	7.1
141.01810	2.4
141.32722	1.0
147.04434	1.4
147.07858	1.0
149.02272	1.1
149.09669	1.5
149.10741	14.1
150.11449	2.2
161.02354	3.5
161.05884	0.9
162.12740	1.0
163.03902	2.4
165.01814	13.4
167.03415	1.1
170.10562	1.1
177.05473	1.4
179.03381	1.6
183.02908	8.3
184.07332	22.2
185.03821	2.8
187.03885	2.7
203.03406	2.0
205.04939	2.7
206.15430	1.1
209.00847	1.2
224.16458	11.3
231.04385	3.5
232.17001	4.5
233.04359	1.5
247.04282	3.2
249.19576	1.1
250.18150	1.9
283.05832	2.2
286.04672	1.6
287.05463	6.9
295.06104	2.5
296.06631	1.0
297.03989	1.9
297.07544	3.0
298.20111	33.3
299.05484	88.9
299.20218	1.3
300.06271	1.5
300.21786	1.7
309.07407	1.4
311.05496	8.5
311.09143	5.3
313.03726	1.6
313.06931	4.5
315.04987	1.3
321.07584	4.8
323.05557	4.7
324.06100	4.5
324.21732	1.6
325.03329	2.3
325.07062	8.4
326.19598	1.0
327.05164	1.8
329.06564	3.6
336.06262	1.4
336.21710	1.0
337.06900	5.0
338.07330	1.1
339.04718	2.3
339.08643	26.9
341.24359	16.3
343.25931	1.7
349.07117	4.5
352.23523	1.7
353.06631	6.1
365.06564	25.2
367.08102	9.4
377.06552	8.3
383.07584	6.7
385.21640	5.8
386.21973	1.6
395.07614	26.8
395.13120	8.4
395.29019	34.6
396.29120	1.9
412.06824	1.0
412.19208	4.6
412.23849	3.0
412.31677	45.5
413.08838	39.8
413.13965	7.0
413.21735	12.8
413.31219	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	412.2877
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23857	1.2
53.33352	1.2
55.05498	4.0
56.05031	39.2
57.07071	2.3
59.23552	1.2
61.01146	24.9
67.05502	14.2
69.07058	4.1
71.15251	3.0
74.06075	1.4
79.05479	3.6
81.07050	15.1
83.08588	2.9
84.04478	1.6
87.02677	5.1
91.05486	3.2
93.07025	4.1
95.08606	15.4
102.05521	8.2
104.05317	72.7
105.07025	2.4
107.08604	2.5
109.10145	4.2
119.08601	2.1
121.10136	4.2
123.11728	1.8
133.03174	44.8
133.10176	1.5
149.42264	1.5
150.05827	100.0
163.64752	1.1
168.10872	1.4
245.22577	1.9
263.23752	2.6
264.11014	1.2
265.79761	1.5
268.64633	1.3
318.28101	3.3
364.28415	19.5
366.28009	2.1
412.28629	4.6
414.53293	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.1597
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.3
56.05025	0.7
56.24645	0.2
57.02505	0.2
57.03440	0.3
57.55042	0.2
60.04507	0.3
61.51087	0.2
65.03921	1.3
68.04995	0.2
69.03416	0.9
70.06583	4.2
71.06906	0.3
71.73960	0.2
72.08128	0.7
74.06066	0.3
76.55612	0.2
79.05486	0.4
81.03402	0.8
84.04486	0.5
84.08117	1.5
85.02885	0.6
86.06059	8.4
86.09715	1.2
86.10124	0.2
87.04431	1.0
88.03944	0.2
91.05469	16.0
92.05812	0.5
97.02876	0.8
99.00830	0.3
99.04413	0.5
99.58300	0.2
102.05534	0.4
103.05443	1.5
107.04924	0.5
109.02832	0.5
110.07124	1.1
116.07067	0.8
118.06520	0.6
119.04930	24.6
119.07270	0.7
120.05261	0.7
120.08080	1.5
129.06982	0.3
129.10228	0.7
130.04984	0.4
130.59337	0.3
131.04912	0.5
132.08051	0.4
136.06206	1.6
136.07538	1.0
146.06020	0.4
147.04390	100.0
148.04720	2.5
154.06458	0.4
160.07530	0.3
164.07132	0.3
165.05450	0.5
166.08498	0.2
175.05952	0.3
182.05966	0.6
185.10767	0.3
186.09302	0.2
186.11084	0.5
188.49518	0.3
200.07085	0.5
210.05563	0.3
216.06525	1.4
218.08186	0.3
226.51317	0.3
228.06430	0.4
230.10219	0.4
232.09755	0.5
234.05505	0.3
246.07686	0.4
248.11269	3.2
249.12308	0.7
250.07040	1.6
250.12752	1.9
252.06595	1.0
262.06998	1.5
262.15744	0.3
266.12317	4.9
266.56482	0.2
270.07587	0.3
272.80524	0.2
292.08057	0.3
309.09604	1.5
316.08075	0.3
317.65292	0.3
346.09412	0.4
376.13959	0.4
394.14871	0.8
412.12183	0.3
412.17819	2.5
413.13855	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.2172
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31304	1.4
53.03930	2.4
55.05499	2.8
56.04989	1.4
57.03431	11.6
60.04490	1.7
61.02917	1.5
67.05476	1.6
69.03410	5.5
69.07065	11.7
70.06582	13.7
70.97511	4.1
71.04986	67.7
72.08137	6.9
73.02892	3.3
74.06055	1.9
75.04461	4.9
81.03397	3.4
83.04975	8.5
84.04477	2.6
84.07667	1.7
84.08130	10.4
85.02897	100.0
86.09686	9.3
87.04456	2.1
91.05456	4.8
97.02890	4.1
99.04410	2.7
103.05424	3.1
107.04931	1.9
109.02829	1.9
110.07157	3.8
111.04411	6.0
111.08047	3.7
120.08077	4.4
127.03897	5.6
129.04550	2.8
129.05469	39.9
129.10225	3.3
131.04872	2.5
132.97638	1.5
136.07596	2.8
145.04961	8.5
146.08167	1.7
147.06514	22.8
153.09100	3.5
157.96443	1.6
164.09171	5.0
165.07613	2.0
185.09186	1.9
198.69977	1.5
255.08554	2.9
273.09967	2.5
285.57077	1.6
295.10562	1.9
295.58752	1.6
309.11868	1.7
351.20074	1.6
395.07184	1.9
402.00262	1.5
412.16144	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	412.1236
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.5
57.03426	0.4
60.04528	0.4
61.90134	0.4
65.03925	0.5
68.79284	0.3
69.03421	1.6
69.88242	1.1
69.88650	0.9
70.06585	6.8
71.04979	0.3
71.06916	0.5
72.08141	1.1
73.02905	0.5
74.06058	0.4
81.03399	1.3
84.04520	0.4
84.08122	1.4
85.02897	2.8
86.06059	0.4
86.09683	0.5
87.00806	0.8
87.04465	0.4
91.05479	5.8
93.07034	0.4
97.02879	0.7
97.07626	0.3
98.21023	0.9
99.04440	0.5
102.05536	0.4
105.01867	0.7
109.02863	1.5
110.07153	0.8
115.08658	0.4
116.07069	1.4
119.04929	15.6
120.06591	1.2
120.08109	0.5
121.06480	1.8
122.06044	2.0
127.03896	1.5
129.10257	0.5
136.06169	13.6
145.04948	0.5
147.04393	100.0
148.04732	1.7
159.02946	0.5
162.04097	7.4
164.07054	15.9
185.10776	1.4
186.11115	1.8
187.04272	0.3
187.07437	0.4
205.10577	1.2
231.06642	1.9
231.11234	0.4
232.11723	0.5
249.12325	3.4
250.12666	8.0
255.06451	0.5
273.07706	0.7
281.09885	6.0
366.36520	0.4
412.17871	9.0
413.10577	0.5
424.26990	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.289
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	2.8
57.07060	5.0
67.05489	8.0
67.11594	1.3
69.07052	4.0
71.05006	1.8
71.08618	5.9
71.75691	2.2
71.76101	2.0
79.05483	3.9
80.67429	1.4
81.07050	9.9
85.06506	2.3
85.10181	3.7
89.06024	4.6
91.05465	5.1
93.07031	13.6
95.04976	1.5
95.08615	13.0
105.07027	10.7
106.10622	1.4
107.07944	1.8
107.08557	7.6
108.95820	1.5
109.06514	2.3
109.10137	6.1
111.04433	3.8
111.08098	3.2
115.71449	1.7
119.08579	6.5
121.10137	5.3
121.42712	1.5
123.08073	11.7
123.11724	4.2
125.51850	1.5
131.08565	3.0
133.08556	1.9
133.10132	7.0
135.08064	7.9
135.11694	2.8
137.09590	3.1
145.10109	5.8
147.11687	6.2
147.12761	1.4
148.06065	2.1
149.09567	2.0
149.13248	3.2
151.07533	100.0
159.11710	2.9
161.05978	1.7
161.09570	2.1
161.13280	3.9
162.06812	1.9
163.11185	3.8
165.09077	3.6
171.11667	1.6
173.09584	3.3
173.13217	2.5
175.07465	1.5
176.08347	4.7
177.09113	16.2
187.11153	3.1
187.14815	4.2
189.09116	5.0
189.16420	3.2
190.09750	2.2
191.10658	81.1
199.11243	2.4
203.10675	8.2
203.17981	2.0
205.12236	19.0
215.10657	3.0
217.12297	3.5
219.13741	1.6
229.19617	1.7
231.13667	1.8
231.34673	1.7
243.13828	1.7
243.21100	1.5
327.23087	3.3
353.24774	2.9
393.27884	3.5
411.28751	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	411.3215
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05489	4.0
56.05013	2.6
57.07057	1.8
67.05492	5.2
69.07064	7.5
69.70148	0.9
69.70747	6.1
71.08606	1.4
79.05481	2.0
81.07047	7.4
83.06096	24.1
83.08604	3.9
84.04493	79.5
92.17542	1.0
93.07014	3.0
95.08577	8.2
97.10132	3.1
98.21503	1.7
101.07132	9.3
102.05511	4.2
102.95073	0.9
103.31735	0.8
105.07018	0.8
107.08588	1.8
109.10130	3.6
121.10121	2.7
123.11709	1.1
128.33371	0.9
129.06583	39.8
130.04985	100.0
135.11636	3.5
147.07625	34.4
149.13217	1.5
161.13196	0.8
166.43996	1.1
171.07610	1.2
180.45064	1.2
189.80641	0.9
247.24310	1.9
265.25290	6.6
282.27939	4.8
393.31320	1.4
411.32410	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2308
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05481	6.2
56.01966	2.1
56.66401	1.9
60.36169	2.3
60.52842	2.5
67.05465	2.7
68.02115	1.9
70.06592	16.0
71.06873	2.0
71.08585	1.9
71.75684	3.1
72.08122	2.8
79.05463	6.0
80.04992	3.0
81.07001	5.5
84.04479	2.5
84.08097	4.1
86.09662	2.3
88.07597	5.9
91.05457	4.2
93.07028	4.0
94.06518	5.7
95.08578	4.7
99.59883	2.1
100.11223	4.4
102.09130	5.3
105.06998	4.5
106.06554	14.8
108.93095	2.0
112.02105	9.8
118.06513	4.4
118.97090	2.1
120.08041	9.2
121.09946	2.6
125.02916	3.4
126.03733	22.4
132.08031	4.3
133.08812	2.4
134.09572	5.1
137.05943	3.3
138.03716	24.7
146.09641	3.1
149.02330	11.2
150.02592	9.6
150.03693	3.0
152.05222	8.2
162.12773	33.1
163.13455	5.3
166.06758	2.5
170.15431	2.9
174.12630	2.5
175.13455	8.1
176.14285	6.3
177.14427	2.1
182.09978	2.3
188.14267	4.4
190.15897	4.1
193.04935	6.8
194.05193	7.9
194.09976	32.9
196.11470	5.0
200.20001	7.3
201.20401	10.2
204.17552	2.3
208.11562	16.0
218.09853	3.2
234.14722	6.4
236.11038	12.6
237.07462	9.9
238.07892	11.5
246.17311	2.3
248.16411	29.6
254.12059	26.4
262.17813	6.3
278.19220	5.3
290.21100	15.6
291.21829	18.7
295.28632	2.3
306.18924	15.8
322.14755	3.0
322.18304	54.7
324.19882	81.8
325.20126	4.7
343.47333	2.1
390.97415	2.9
411.22885	100.0
412.23041	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	411.2889
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	5.9
63.02410	1.8
67.05509	10.2
69.07053	3.6
69.51209	5.7
69.51623	10.2
71.05003	1.6
75.24567	1.6
79.05482	3.8
81.07040	13.9
83.08587	1.8
85.04186	2.0
85.06518	3.1
91.05494	4.4
93.07039	13.0
95.04940	2.0
95.08603	19.2
105.07030	12.8
107.08591	11.9
109.06493	2.3
109.10141	7.7
111.04449	3.3
111.08055	4.4
119.08594	10.2
121.06464	2.0
121.10128	7.5
123.08065	10.4
123.11681	2.9
131.08528	3.2
131.22874	1.6
133.10118	4.9
135.08040	7.2
135.11667	6.3
137.09656	2.1
145.10132	4.3
147.11658	7.0
149.09581	2.4
149.13239	5.3
151.07536	100.0
152.07835	3.2
153.12752	2.1
159.11685	4.3
161.09543	1.9
161.13254	4.0
162.06769	1.8
163.11177	4.5
163.14775	5.0
165.09099	3.2
167.82730	1.8
173.09586	3.4
173.13113	2.2
175.11118	1.8
176.08282	4.4
177.09094	15.0
187.14839	3.3
189.09081	6.8
189.16380	6.4
191.10651	74.5
192.10942	2.3
197.32585	1.7
201.16353	1.8
203.10661	5.4
203.17975	1.8
205.12219	24.0
217.12206	4.3
229.19470	2.0
231.13933	2.7
327.23260	3.6
353.24664	1.9
380.16949	1.9
393.27795	4.0
411.28912	15.2
411.36014	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1984
Annotation	diflorasone
Peak:m/z	Relative Intensity
51.50392	0.3
55.05499	0.5
57.03408	0.5
67.05502	1.0
69.03426	0.6
69.07044	0.7
70.06573	1.0
70.98824	0.4
71.04983	0.5
71.72915	0.7
72.08147	1.3
79.05477	0.6
80.17282	0.4
81.07039	0.8
83.04967	0.5
84.08131	0.6
85.02896	0.5
86.09680	0.7
93.07029	0.5
95.08603	1.5
98.97578	1.3
105.07014	0.8
107.08594	0.8
109.02829	0.4
109.10149	1.2
116.98609	0.8
119.08603	0.4
120.08096	0.9
121.10159	0.7
123.11697	0.4
127.03912	0.4
133.10083	0.8
135.11691	0.5
137.09647	0.4
158.99693	0.5
191.48372	0.4
198.92804	0.3
201.05295	0.4
203.05283	2.0
206.09192	0.5
213.07774	0.4
231.13593	0.7
239.11571	0.5
285.13782	0.5
309.13458	0.5
315.05130	0.7
328.11548	0.4
374.44016	0.4
393.05856	0.5
411.19864	100.0
412.20331	5.2
429.17795	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1759
Annotation	944396-07-0
Peak:m/z	Relative Intensity
51.01285	0.4
53.03918	0.9
57.03412	0.9
61.02892	1.2
62.78925	0.4
69.03416	4.0
70.06586	41.3
71.14857	1.1
71.15184	0.6
72.08111	0.5
73.02888	1.0
76.38538	0.5
79.05470	1.2
81.03377	2.0
84.04470	0.5
84.08109	1.0
85.02900	4.5
87.04423	0.8
91.05479	0.9
97.02851	2.2
97.07636	4.5
103.74605	0.5
107.04932	2.6
109.02834	0.9
116.07085	16.8
117.05737	0.6
118.06512	1.3
119.04908	1.9
127.03907	1.0
130.06480	1.2
143.08167	3.1
147.03284	0.8
147.04382	9.3
157.07574	2.3
164.07007	1.7
168.08083	0.8
185.10724	32.2
186.11028	0.7
204.07297	0.5
204.10199	13.1
231.11293	7.7
249.12332	100.0
250.12766	3.2
354.89569	0.6
408.14090	0.5
411.17609	86.7
412.18033	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	411.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01837	0.8
57.03405	0.9
61.02890	1.5
62.94287	0.5
69.03426	4.8
69.65070	0.4
70.06586	43.6
71.04964	0.9
71.71938	0.6
71.72677	0.6
72.04492	0.5
72.08150	2.9
72.93768	0.8
73.02873	0.7
74.06025	0.5
79.05446	1.8
81.03401	2.4
81.07037	0.7
81.77668	0.5
83.04952	0.7
84.04468	1.1
84.08107	1.5
85.02476	0.6
85.02900	6.2
86.09676	1.0
87.04455	0.7
91.05467	2.7
93.06939	0.5
95.04931	0.6
97.02879	2.8
97.07650	4.2
97.49071	0.5
99.04436	1.2
105.03326	1.0
105.07008	0.7
107.04944	4.4
109.02834	2.1
110.07171	0.6
112.11216	0.8
113.03853	0.7
114.05490	0.6
116.06282	0.9
116.07080	15.5
117.05769	0.7
118.06547	1.1
119.04948	2.6
120.08083	0.9
127.03864	1.4
129.10233	0.9
130.04977	0.6
130.06497	1.9
132.95747	1.1
134.05943	0.8
136.07625	0.7
143.06023	0.5
143.08156	3.8
146.05986	0.6
147.04395	8.8
150.96823	0.6
154.02435	0.6
157.07585	1.6
158.09500	0.7
168.08035	0.9
170.09665	0.6
174.96840	1.0
185.10730	29.3
186.11003	1.1
202.97789	0.7
204.10181	13.2
205.10516	0.5
218.97336	0.8
220.98756	0.8
231.11272	8.3
236.98427	0.9
242.08090	0.7
244.99040	0.5
249.12332	100.0
250.12689	5.0
260.98367	2.6
278.99673	0.7
279.10910	1.2
290.99454	0.6
374.97946	1.3
411.17627	72.3
412.18021	4.5
418.94382	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1436
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37503	1.0
65.03944	1.2
66.04700	1.1
67.05470	1.4
68.99787	1.5
70.06560	2.2
71.48743	2.3
79.05456	2.2
80.64948	1.0
81.07024	3.8
86.64567	1.1
91.05464	4.4
93.07027	1.8
95.04939	2.0
103.05470	2.0
107.04958	4.3
108.05739	1.4
109.06493	1.3
115.05471	1.7
119.04933	3.1
121.06496	14.1
128.06282	1.2
129.07018	2.8
131.04926	3.7
131.08554	1.3
135.04391	2.3
136.05190	4.0
139.07538	2.6
142.45616	1.1
147.04402	11.1
147.08032	3.5
148.05145	4.6
149.02327	2.4
149.05969	7.7
151.03873	1.9
151.07533	21.5
155.08643	1.5
159.04391	1.2
159.05629	1.4
161.02301	3.3
161.06012	5.9
163.03896	2.5
163.07536	4.4
164.04695	5.6
167.03387	2.0
167.07039	11.4
175.03885	1.7
175.07651	1.4
176.04707	3.9
177.05464	24.3
178.06122	1.5
179.07027	20.9
181.04886	1.4
181.08609	2.2
182.07149	1.6
185.05980	3.4
185.09586	1.4
187.03917	3.1
187.07599	1.7
189.09102	4.3
191.07019	76.6
192.07800	100.0
193.08147	1.9
195.08017	2.4
198.06657	2.1
199.07576	2.3
201.09093	7.0
203.07002	46.6
204.07568	1.2
205.04915	3.7
207.06526	14.6
209.08015	10.1
211.07550	4.1
213.09036	6.4
215.06912	1.8
227.06993	4.1
229.08597	13.2
232.08641	1.3
237.03065	1.2
237.08984	2.6
243.10132	3.9
257.07999	2.2
261.09247	2.6
264.07785	1.5
265.08414	1.2
275.10715	2.1
277.08636	1.8
281.08130	1.7
281.11652	3.3
290.09265	1.2
291.06686	1.3
293.08044	3.3
293.11569	1.6
294.08508	1.3
303.06470	1.7
303.09885	1.3
305.08142	2.0
305.11502	2.0
306.08972	1.9
307.13126	1.7
308.10312	1.7
309.11087	2.0
319.09534	1.9
321.11191	5.0
323.12695	9.7
333.11075	1.6
335.12491	1.3
336.13876	1.2
337.10800	1.8
339.15952	7.9
347.08899	1.5
349.10663	6.8
365.13626	2.1
367.15466	9.6
379.11746	1.6
381.13208	5.4
393.13354	2.2
396.11780	1.5
411.14401	30.5
411.26874	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1435
Annotation	Sumatrol
Peak:m/z	Relative Intensity
53.03949	2.7
60.35157	1.6
66.58141	1.6
67.05508	1.6
70.06571	2.7
71.74815	2.3
79.05480	7.9
81.03423	1.7
91.05467	4.7
94.04182	2.3
95.04941	2.6
105.03428	2.1
105.07037	2.6
107.04950	18.4
107.08684	1.6
108.05723	2.4
109.06528	2.0
113.73235	1.6
115.05466	4.0
117.07033	3.9
121.06487	3.6
123.04509	1.4
124.05222	5.5
128.06273	2.1
129.07001	2.6
131.04948	2.7
133.06509	4.9
135.04422	5.7
139.07518	17.1
141.06995	3.6
145.06535	4.0
147.04408	2.1
148.05186	3.5
149.05969	2.2
151.07542	16.9
155.07065	1.8
155.08505	2.3
159.04420	15.4
159.08032	2.8
161.05988	4.7
162.06763	4.6
165.06876	1.9
165.09187	2.9
167.03416	4.7
167.07053	12.6
168.05640	1.7
169.06519	6.0
170.07277	3.1
173.06012	5.0
176.04684	3.2
177.05431	9.7
178.06201	2.1
179.07021	26.4
181.04845	1.6
183.08107	2.8
187.04062	1.8
187.07538	14.3
191.07002	28.4
192.07779	40.3
193.08496	5.8
198.06775	3.2
201.05478	12.2
201.09109	2.0
204.50569	1.6
205.08595	5.2
211.07526	13.5
215.06941	1.9
219.06508	11.1
227.07103	4.2
229.08545	35.4
257.08142	5.8
304.10211	1.7
313.10745	1.8
365.13864	4.4
393.13229	2.2
411.14398	100.0
412.14761	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1388
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	13.0
55.01885	7.7
57.03425	6.3
59.97240	3.7
61.02917	6.4
68.53944	3.5
69.03419	37.2
69.73343	28.0
70.06584	15.5
70.78829	3.6
71.04982	6.0
72.08147	10.5
73.02905	13.4
79.05477	26.5
81.03398	38.6
83.08713	3.3
85.02895	99.4
86.09699	6.2
87.00821	33.6
89.03878	5.6
91.05478	4.4
97.02882	71.0
99.04443	16.5
104.21340	4.2
105.01841	36.6
105.03396	15.8
107.04935	46.4
108.05275	4.7
109.02874	41.2
110.03175	4.4
110.07183	3.5
114.09186	4.9
116.04975	38.6
117.01913	3.8
117.05348	4.2
127.03902	100.0
129.01865	4.2
137.05937	4.4
142.08534	6.0
145.04942	65.8
158.06082	7.0
159.02892	30.4
182.15321	6.8
190.96519	4.4
202.96437	5.9
203.03473	4.6
213.04019	4.4
217.05116	4.0
222.95251	3.9
231.04936	22.2
236.98958	5.1
238.98604	8.9
241.18924	5.1
252.07835	4.2
255.00024	6.9
256.99606	8.4
279.06509	26.8
281.08130	3.7
291.06531	7.9
292.07324	5.0
293.07974	8.7
305.08081	18.4
306.09079	4.2
306.97751	4.5
309.07645	29.7
309.49179	3.6
318.08838	4.9
321.07501	15.7
333.07556	13.6
335.09155	19.4
347.09167	13.5
363.08563	30.1
368.25519	4.3
375.08667	28.9
393.09653	31.1
411.10703	38.6
411.19070	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	411.1131
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	5.6
55.01855	6.9
55.05500	3.1
57.03420	5.0
60.20969	2.2
61.02913	7.8
62.32234	2.0
67.05496	2.9
68.99755	2.9
69.03423	47.7
70.06574	7.9
71.04974	4.5
71.75114	2.8
71.75581	2.4
72.08136	4.6
73.02885	3.5
81.03414	25.7
83.08604	2.1
84.08113	3.2
85.02900	100.0
87.00320	3.4
87.00820	52.4
87.04453	2.4
91.05460	2.2
93.07033	2.3
95.08582	2.7
97.02880	45.0
99.04422	11.4
100.11246	10.8
105.01857	80.1
106.06543	2.6
109.02873	27.9
111.04443	2.9
120.08058	4.9
126.03703	4.3
127.03907	70.8
131.08511	2.5
141.30501	2.0
142.12306	2.3
145.04962	22.5
149.02306	4.4
150.12755	2.4
150.66644	2.1
159.02858	7.7
159.78850	2.1
162.12708	2.6
176.14371	3.3
182.10002	26.4
182.15437	3.9
189.04034	2.7
193.04956	5.1
210.14914	5.2
213.03905	3.3
231.05009	14.1
234.14812	4.8
249.06050	2.6
266.12042	3.5
290.21017	3.3
291.21967	2.2
322.18256	5.2
324.19901	21.1
326.31668	2.6
350.93326	2.2
411.23056	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	411.0441
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	8.6
54.40715	1.0
56.96560	49.6
58.96156	1.1
71.39745	2.6
74.91615	1.1
74.97596	2.3
75.06732	1.2
81.03421	11.4
84.95529	2.4
84.96022	25.5
98.97570	44.4
100.99146	3.7
102.97075	4.1
110.97571	6.4
111.63009	1.1
115.00709	3.6
116.98612	40.4
119.00198	2.4
121.01685	2.5
124.99098	13.0
126.97118	1.4
128.98586	9.3
129.47568	1.2
132.95837	2.6
133.01732	4.0
134.99648	28.8
137.04846	1.3
140.00169	1.4
140.98589	1.6
143.00148	54.6
144.00607	1.4
144.98093	5.1
146.99641	9.2
147.03232	2.6
150.96979	1.8
153.00713	3.9
155.00153	3.5
157.01659	2.4
157.03491	2.1
158.01263	2.1
158.99655	13.9
161.01213	100.0
162.01556	2.0
162.99138	11.6
165.00662	2.5
166.01796	1.9
168.98041	2.4
170.99654	4.0
173.01192	6.0
173.65222	1.2
174.96930	2.0
175.02817	3.6
177.00691	23.1
179.02248	19.3
181.00211	4.1
184.02785	6.6
185.01242	8.6
185.02933	1.7
186.96854	2.5
186.99158	14.4
189.00751	8.0
189.04318	1.4
191.02295	2.5
192.94806	1.5
195.01776	3.1
200.02231	1.6
201.00710	2.1
203.02261	13.3
203.04044	1.8
205.00174	36.7
207.01836	3.0
210.99117	1.8
215.02271	3.4
219.01796	3.3
221.03423	1.6
223.01230	39.8
223.03311	2.4
225.01636	1.6
229.00214	5.5
230.98041	2.4
233.03235	2.5
237.02875	3.7
241.02222	1.8
245.03302	2.4
247.01181	6.7
248.99146	24.4
250.99776	1.7
251.04309	3.9
252.96799	2.0
267.00162	29.3
272.00717	1.8
272.99185	5.2
285.01373	1.9
291.00250	64.2
302.09647	1.4
303.00275	5.2
305.09097	1.9
307.03220	1.7
309.01242	33.1
321.01230	10.0
329.01801	3.0
330.94751	3.0
330.99899	1.9
331.07254	1.3
332.02930	5.5
339.02448	2.1
348.95786	7.1
349.00449	1.7
351.02075	1.7
375.02032	1.7
393.03555	8.0
410.97348	2.2
411.03784	6.2
411.08960	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	411.0441
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50773	1.6
56.96555	52.2
70.06586	9.6
71.74138	1.6
71.95255	2.3
74.97597	2.2
75.53020	1.7
84.96019	31.3
85.02898	1.6
86.09673	1.4
88.20929	1.8
97.96900	1.6
98.97568	80.8
100.99141	2.7
102.97060	4.5
110.97559	7.2
115.00694	4.8
116.07079	4.8
116.98598	49.2
119.01970	1.9
124.99081	27.1
124.99895	2.4
126.97034	3.8
128.98586	15.4
131.00186	2.5
131.97127	1.6
133.01733	4.6
134.99644	21.6
140.00160	1.5
140.98564	1.8
142.99004	3.6
143.00136	76.1
144.98097	9.3
146.99640	10.5
149.01204	1.6
153.00674	2.7
158.99634	20.8
161.01199	100.0
162.01656	1.6
162.99146	14.1
166.01840	2.6
168.98048	3.8
170.99649	8.4
175.02774	3.0
177.00679	28.5
179.02226	15.1
181.00375	1.9
184.02788	4.0
185.01250	11.1
185.10722	6.8
186.99107	21.6
189.00702	12.5
195.01740	3.4
203.02271	21.8
204.10188	3.9
205.00166	45.4
207.01752	3.6
215.02338	2.4
219.01813	4.7
221.03325	2.8
223.01239	36.3
228.01730	2.7
229.00159	7.7
230.98100	4.0
233.03252	2.2
235.01122	1.8
237.02818	5.4
241.02344	2.8
245.03271	4.2
247.01146	10.9
248.99150	29.8
249.12315	22.4
255.03748	4.1
259.01346	2.8
267.00223	40.6
272.00671	2.1
272.99216	6.4
275.04565	4.0
277.02206	2.3
285.01495	2.4
290.01807	2.3
291.00198	89.3
292.00491	2.9
303.00275	10.8
307.03140	2.2
309.01224	52.6
314.01703	1.8
321.01230	10.8
332.02933	7.5
339.02109	2.2
352.19736	2.4
367.10104	1.9
375.02408	3.9
393.03284	10.1
410.98340	1.8
411.04428	4.8
411.09158	7.8
411.17453	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	410.2896
Annotation	Malyngamide W
Peak:m/z	Relative Intensity
54.31023	1.0
54.36074	1.1
55.05501	4.2
55.22825	1.1
56.05028	2.9
57.07079	1.4
67.00126	1.0
67.05492	17.1
69.07077	2.6
69.95190	7.0
74.56918	1.1
79.05473	5.0
81.07042	16.6
83.08609	2.2
84.04491	100.0
85.02905	1.5
85.04826	1.8
85.10146	1.8
89.06022	1.5
91.05479	4.7
93.07040	4.9
95.08581	14.7
102.05529	32.2
105.07017	2.8
107.08581	4.5
109.10140	5.2
119.08584	2.5
121.10088	2.4
123.11691	3.3
130.04984	71.1
131.05304	1.5
133.10127	1.9
135.11710	1.5
137.13310	1.4
147.11688	1.7
148.06027	73.1
149.13271	1.6
151.07500	4.2
161.13321	1.2
163.14975	1.3
178.59233	1.3
191.10716	1.1
203.10803	1.2
245.22749	2.9
263.23663	3.5
364.28323	1.9
410.28937	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	411.044
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90062	1.0
52.15916	0.9
53.84615	1.1
56.96556	50.5
57.97339	1.0
71.30854	1.7
71.31168	1.2
71.95255	2.0
72.93769	1.3
74.97595	2.2
84.96022	31.8
87.35129	0.9
90.59303	1.1
98.97569	65.9
100.99105	5.2
102.97055	4.0
110.97550	8.7
115.00671	5.6
116.98604	46.3
119.00183	2.4
120.98100	1.2
124.99099	20.3
126.97074	2.1
128.98596	14.9
131.00166	1.2
132.95819	4.4
133.01721	4.5
134.99644	23.4
140.00162	2.9
140.98564	2.2
143.00146	73.2
144.67378	1.2
144.98076	7.9
146.99640	11.5
147.03221	1.4
150.96898	2.1
153.00705	2.1
157.01735	1.4
158.99628	18.8
161.01205	100.0
162.96927	1.4
162.99135	15.1
165.00700	1.2
166.01700	1.4
168.98097	4.2
169.99898	1.2
170.99593	7.0
175.02776	3.0
177.00693	26.4
179.02275	18.4
181.00188	3.6
184.02800	3.5
185.01192	11.6
186.96732	1.6
186.97380	1.7
186.99110	21.6
189.00699	11.9
195.01781	3.9
201.00610	1.0
203.02255	21.8
205.00185	43.3
207.01732	2.5
212.02231	1.1
215.02307	2.6
217.00172	1.7
217.03815	2.3
219.01674	5.0
220.44414	1.0
222.99020	2.0
223.01221	41.3
226.03708	1.4
227.52769	1.1
228.01842	2.7
229.00211	4.4
230.96022	1.3
230.98180	3.7
235.01244	3.1
237.02844	4.2
241.02362	2.1
245.03218	5.6
246.02859	1.7
246.99011	1.6
247.01262	7.9
248.99149	27.2
249.12190	2.3
255.03903	2.7
259.01291	1.2
265.02332	1.4
267.00223	38.1
267.03067	1.9
272.00784	2.3
272.99118	6.9
275.04324	1.5
277.02194	1.5
285.01282	2.7
290.01730	2.0
291.00217	92.0
292.00522	1.8
303.00369	9.6
307.03287	2.5
309.01260	48.5
310.01556	2.1
321.01282	13.8
332.02966	7.8
351.02216	4.1
367.09665	1.2
375.02219	2.7
393.03308	10.6
411.04489	8.6
411.09204	2.4
411.17377	1.3
432.84427	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.2533
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32813	1.1
57.07051	4.7
65.03932	2.4
70.06583	23.5
71.08605	4.3
71.50096	2.0
71.50430	1.5
72.08130	2.2
79.05480	1.5
84.08132	1.7
86.09698	1.9
88.07623	19.5
93.07028	1.8
102.09175	17.2
105.07040	1.7
109.06472	1.2
116.96373	1.3
119.08612	1.8
125.17726	1.4
139.03894	1.8
149.02333	60.1
149.03429	3.5
193.04945	65.5
194.05330	1.5
200.20085	65.7
237.07573	80.8
252.82037	1.4
279.19119	1.3
382.13419	3.2
410.25354	100.0
411.19699	2.0
411.25626	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	410.2897
Annotation	Unknow
Peak:m/z	Relative Intensity
55.04243	0.5
55.05485	0.6
56.34793	0.3
59.85857	0.3
67.05482	0.7
68.05026	1.6
69.05807	3.1
69.07048	0.6
70.06583	5.6
70.15005	1.5
71.04979	0.3
79.05472	0.5
80.05003	0.6
81.07031	1.3
82.06567	1.0
83.07345	4.1
83.08602	0.4
83.40128	0.3
84.08125	2.7
89.71456	0.3
91.05465	0.3
93.06996	0.4
95.04877	0.5
95.08586	0.8
105.06992	0.7
107.08587	0.7
108.08126	0.4
109.06464	0.3
109.10136	0.6
116.07055	0.6
120.08070	0.4
126.09098	0.8
131.65887	0.3
141.54802	0.3
143.08577	0.4
147.11630	0.5
184.38806	0.4
208.16992	0.4
226.18011	2.0
236.16434	5.9
238.17982	3.5
254.17484	100.0
255.17805	2.4
266.46722	0.4
280.71237	0.4
282.16965	41.9
283.17294	0.9
295.22684	1.2
306.34482	0.4
382.29492	2.5
410.28995	6.7
411.29230	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.1303
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74659	0.3
52.86645	0.3
56.61677	0.3
58.37843	0.3
69.03423	1.2
70.06580	0.5
71.71488	0.3
81.03396	1.0
85.02896	2.7
87.04426	0.7
89.67448	0.3
91.05453	0.6
97.02859	1.1
105.03341	0.5
107.83209	0.3
109.02902	0.6
119.04913	1.0
127.03905	0.5
133.05112	0.6
136.06158	0.5
145.04953	0.5
147.04395	2.6
147.06699	0.5
157.05038	0.5
158.99706	0.3
160.06177	2.8
173.06973	0.6
174.07739	4.5
175.06134	0.7
177.03197	0.4
182.19501	0.3
185.04654	0.4
186.03053	0.7
188.05789	0.3
202.07227	3.4
204.05121	0.8
213.04008	1.0
218.06680	0.9
218.97397	0.4
230.06708	100.0
231.06985	3.0
236.98459	0.4
248.07762	20.3
249.08031	0.7
260.07916	0.4
260.98474	0.6
410.13101	7.3
411.13083	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.3826
Annotation	4,4'-Diapophytoene
Peak:m/z	Relative Intensity
51.63245	0.9
53.03933	0.9
55.05502	6.7
57.06849	1.0
57.07069	12.4
65.03917	1.5
67.05147	1.2
67.05503	19.8
69.07063	15.7
69.49651	9.5
71.08614	6.7
79.05487	8.9
81.07051	68.1
83.08598	7.5
85.10168	3.1
91.05451	5.0
93.07037	17.5
95.08598	100.0
96.08929	1.8
97.10184	6.2
105.07028	9.8
107.08585	22.3
109.09409	2.1
109.10146	36.1
111.11724	2.1
119.08559	11.9
121.10130	17.9
123.11705	20.3
131.08560	2.6
133.10115	10.6
135.11696	16.2
137.13245	60.9
138.13554	2.6
145.10065	4.8
147.11691	8.7
149.13248	11.8
151.07532	3.2
151.14784	3.3
159.11760	5.5
161.13278	6.8
163.07527	1.0
163.14819	6.7
165.09065	2.5
173.13261	4.0
175.14816	5.9
177.09120	2.5
177.16371	6.9
179.10678	1.3
179.17880	1.1
187.14777	3.0
189.16370	5.7
191.10603	1.6
191.17937	4.2
193.19510	1.6
201.16396	2.9
203.17955	5.8
205.19487	1.6
215.17923	7.6
217.19501	6.3
229.19501	6.5
231.21046	4.3
243.21129	1.9
245.22745	1.1
257.22714	6.2
257.24915	1.1
259.24210	6.7
271.24219	6.8
285.25763	2.4
299.27182	1.3
409.38248	29.9
410.38770	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.382
Annotation	4,4'-Diapophytoene
Peak:m/z	Relative Intensity
55.05507	14.3
57.07052	6.0
67.05492	16.1
69.07056	44.8
71.21530	12.8
79.05479	14.8
81.07045	70.6
83.08614	19.8
86.07859	4.9
88.60965	5.7
91.05457	6.9
93.07029	27.1
95.08603	58.3
97.10153	8.1
101.77761	5.8
105.07012	19.4
107.08581	28.5
109.10130	44.0
111.11741	6.1
119.08568	19.4
121.10123	23.9
123.11719	22.7
133.10124	19.9
135.11676	20.8
137.13226	13.8
145.10118	14.3
147.11664	24.3
149.13266	20.2
159.11699	14.8
161.13242	16.0
163.14859	10.3
173.13298	12.8
175.14828	11.3
177.16403	9.6
177.89482	5.9
189.16270	7.7
191.17917	10.5
201.16406	8.6
203.17937	8.0
217.19513	9.8
229.19464	11.6
231.21049	8.3
409.38275	100.0
410.38309	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	409.3822
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	20.6
57.07064	11.2
61.33824	4.5
67.05502	34.0
69.07065	66.3
71.08617	4.7
71.75424	7.7
79.05480	18.3
81.07050	87.5
83.08610	20.5
87.13062	5.2
91.05460	15.2
93.07042	32.3
95.08607	87.8
96.08917	5.1
97.10153	10.6
105.07019	25.5
107.08585	54.9
109.10123	47.4
111.11729	8.2
119.08568	28.7
121.10132	41.7
123.11703	29.3
131.08565	14.2
133.10147	30.4
135.11667	33.8
137.13254	16.1
145.10184	23.4
147.11725	24.9
149.13234	27.8
151.14772	6.1
157.10107	4.9
159.11662	23.3
161.13245	21.5
163.14824	13.3
169.02541	4.4
171.11722	5.6
173.13249	17.3
175.14893	12.3
177.16353	10.4
185.13332	6.7
187.14786	11.9
189.16391	16.4
191.17953	5.9
201.16434	13.1
203.17924	15.1
215.17891	12.4
217.19519	14.7
219.92360	4.4
229.19475	7.2
231.21114	10.6
243.21201	7.7
257.22687	9.8
259.10583	4.6
259.24335	8.0
271.24255	7.8
279.83908	5.2
285.25772	7.1
327.30405	7.0
339.30536	7.0
353.31976	7.6
409.38269	100.0
410.38678	5.5
413.92300	4.6
415.16385	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	409.3463
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	19.6
57.07076	4.5
63.82093	5.3
67.05493	26.9
69.07053	26.4
70.98643	10.5
70.99010	10.7
71.04981	16.0
79.05485	31.6
81.07045	82.3
83.08636	8.5
83.46145	5.3
91.05473	28.2
93.07035	87.3
95.08601	100.0
97.10152	13.0
105.07025	49.8
107.08595	64.4
109.06503	7.3
109.10159	54.3
111.08076	18.9
119.08566	78.1
121.10128	60.2
123.11658	25.0
131.08551	18.2
133.10121	32.9
135.11696	32.9
137.09644	8.2
137.13245	10.5
143.08514	7.8
145.10152	26.4
147.11685	36.9
149.13232	64.3
151.11060	5.4
157.10181	10.7
159.11679	43.5
161.13232	31.3
163.14839	28.3
171.11591	9.4
173.13277	23.2
175.14827	34.4
177.16376	8.3
185.13199	7.2
187.14795	19.8
189.16353	25.9
191.17952	7.9
201.16403	17.6
201.61874	6.1
203.17918	12.7
213.16351	9.8
215.17943	18.7
217.16040	5.5
217.19501	38.1
227.17970	12.2
229.19437	12.0
231.21005	14.1
241.15175	5.5
241.19449	8.8
243.21049	6.6
255.21069	6.5
257.22678	14.5
259.24216	15.6
283.24203	5.9
295.24426	6.8
351.30460	22.3
377.93259	5.8
391.33469	26.4
409.34686	92.3
410.34894	7.2
421.60693	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	409.3099
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	3.9
61.84547	1.6
65.55064	1.7
67.05503	10.4
69.07066	6.1
69.57232	12.3
79.05494	3.4
81.07069	8.0
91.05497	2.8
93.07040	5.9
95.08600	13.8
105.07011	11.8
107.08594	6.3
109.10149	13.8
119.08586	10.1
121.10156	6.9
123.08054	6.7
123.11699	3.7
125.29668	1.6
131.08669	2.6
133.10127	6.4
135.08083	3.4
135.11670	6.3
144.09315	1.6
145.10094	2.0
147.11707	5.6
149.13260	3.9
151.07532	100.0
152.07901	3.3
159.11789	2.1
161.13251	5.4
163.14815	1.9
165.09042	4.1
175.14827	2.2
177.09138	2.9
189.09123	2.2
189.16382	6.6
191.10675	19.1
193.12299	1.6
203.17941	10.4
205.12230	17.2
207.06534	3.1
217.12305	2.3
245.22679	6.9
271.24020	1.8
409.18262	2.4
409.30908	15.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.3057
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80725	0.2
55.05506	2.7
56.05027	3.5
57.03424	0.4
57.07072	0.8
58.50614	0.3
64.00706	0.3
67.05499	12.2
69.07059	3.6
70.06544	0.3
71.08623	0.6
71.75420	0.4
71.75872	0.3
79.05491	3.4
81.07047	12.8
83.06095	25.6
83.08578	1.7
84.04494	84.8
85.02892	0.7
85.04851	0.4
85.06532	0.3
86.09753	0.3
91.05467	1.9
93.07034	3.6
95.08595	10.5
95.09188	0.7
97.06536	0.9
97.10166	1.0
101.07130	9.9
102.05523	5.0
105.07030	1.6
107.08597	1.7
109.10141	3.8
111.08097	0.4
119.08564	1.1
121.10146	1.8
123.11712	1.5
129.05208	0.4
129.06587	35.8
130.04987	100.0
131.05339	0.8
133.10097	1.2
135.11661	1.5
137.13255	1.0
147.07629	31.2
147.11656	1.0
149.13243	1.0
151.14830	0.5
155.00984	0.5
161.13301	0.7
163.14832	0.6
171.07655	0.8
175.14813	0.5
177.16307	0.4
179.17870	0.4
184.97971	0.3
189.16496	0.3
245.22597	1.9
263.23682	6.2
280.26260	0.9
329.24661	0.4
346.27209	0.6
351.29590	0.3
364.28253	0.3
380.56567	0.3
392.27832	0.7
409.30655	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2734
Annotation	10'-Apoviolaxanthal
Peak:m/z	Relative Intensity
53.03933	4.0
55.01852	4.3
55.05510	19.8
57.07069	5.9
59.04988	5.3
63.56124	2.0
65.03971	2.3
67.05510	20.4
69.03410	7.0
69.07048	7.3
70.98240	5.4
79.05493	24.9
81.07049	32.5
82.93185	2.6
83.04975	5.9
83.08605	4.7
85.06524	5.4
91.05486	36.1
93.07041	53.7
95.04962	48.4
95.08607	36.2
97.06543	11.8
98.20655	2.3
103.05441	5.2
105.07023	100.0
107.04927	3.0
107.08591	32.7
109.06513	19.5
109.10146	17.0
115.05418	2.9
117.07027	16.3
119.07744	4.7
119.08573	73.8
121.06522	19.7
121.10126	13.3
123.08059	23.8
128.06181	4.9
129.06989	9.0
130.07848	2.8
131.08563	27.7
132.09248	2.4
133.06473	6.1
133.10092	19.0
135.08025	16.5
135.11670	4.3
137.09602	11.1
141.06978	6.5
142.07768	15.2
143.08559	19.8
144.09291	4.4
145.06427	2.6
145.10123	35.9
147.08046	22.2
147.11673	35.0
149.09656	12.5
151.07539	30.7
155.08572	11.3
156.09323	9.1
157.10117	23.5
159.08055	5.9
159.11690	11.3
161.09584	9.8
161.13261	5.4
163.11168	8.7
165.09093	34.2
168.09348	7.1
169.10170	16.0
170.10791	2.5
171.11716	10.7
173.09647	5.8
173.13269	9.9
175.11168	24.2
177.09016	6.1
181.10139	7.0
181.12207	5.0
183.11667	14.5
185.13293	6.0
187.11189	6.4
187.14825	3.3
189.12711	6.9
191.14252	2.4
193.10059	4.0
195.11693	4.4
196.12547	4.7
197.13219	5.9
199.11224	4.3
199.14943	3.6
201.12717	9.0
203.14310	13.8
207.11909	4.9
207.13608	12.5
209.13214	3.8
209.15253	3.8
211.14865	7.6
219.13737	5.5
221.13448	3.4
221.15346	77.5
223.14804	4.0
225.16335	4.4
229.15901	8.9
231.13698	3.0
234.16231	11.8
239.14444	2.5
241.15742	3.9
243.61575	2.6
287.19965	11.7
300.20538	2.6
325.92218	2.5
329.20935	4.8
391.26343	9.3
409.27292	64.6
410.27713	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	409.2734
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	4.1
53.61265	1.4
55.05270	2.1
55.05507	18.9
57.07068	11.9
59.04982	1.8
67.05500	16.7
69.03426	7.7
69.07050	7.5
71.08615	4.4
71.38897	3.6
79.05487	17.8
81.03404	1.8
81.07047	28.2
83.04961	5.3
85.06530	2.9
85.10164	4.7
91.05473	37.0
93.07039	41.0
95.04964	49.4
95.08599	23.4
97.06535	6.8
103.05470	2.2
103.42509	1.6
105.04539	2.3
105.07020	100.0
107.08590	19.6
109.06525	13.1
109.10124	6.8
111.08055	2.1
115.05470	2.5
117.06999	13.9
119.04978	1.9
119.08567	64.1
119.09420	3.2
121.06494	18.5
121.10137	14.1
123.08078	16.7
128.06233	4.6
129.07007	7.6
129.33669	1.6
130.07727	3.6
131.08571	19.8
133.06488	3.5
133.10126	15.1
135.08034	14.9
135.11716	2.0
137.09607	6.2
139.11087	1.6
141.06964	4.5
142.07765	8.8
143.08525	14.3
144.09326	2.2
145.06447	2.2
145.10114	35.8
147.08049	16.6
147.11674	39.8
149.09628	10.0
149.13152	1.8
151.07567	18.3
153.07040	1.7
155.08507	6.3
156.09296	2.5
157.10104	19.4
159.08022	4.8
159.11667	14.2
161.09578	6.7
161.13194	5.2
163.11211	4.1
165.07018	2.5
165.09103	32.5
167.08551	2.7
168.09323	2.9
169.10149	7.8
170.10637	2.4
170.56522	2.0
171.11659	10.3
173.09622	4.3
173.13269	7.3
175.11169	28.0
177.09122	3.9
177.11128	1.7
178.09888	1.9
179.08510	2.3
181.10196	4.0
181.12083	2.7
183.11679	11.0
185.09560	2.8
185.13248	4.5
187.11153	4.3
187.14803	3.2
189.12764	6.7
193.10162	2.6
194.11046	1.9
195.11745	4.8
197.09581	2.6
197.13252	3.9
199.11186	3.0
199.14815	2.3
201.12691	9.4
201.16289	2.0
203.14317	15.9
207.13820	6.4
209.13303	2.8
209.15237	1.9
211.11215	1.9
211.14796	5.3
219.13724	5.6
221.15352	64.4
221.17511	3.1
225.16367	2.1
229.15843	5.8
231.13751	4.0
233.13066	1.7
233.15277	3.3
234.16138	17.3
242.12811	1.9
286.19336	2.8
287.20047	7.4
300.20862	3.8
325.21579	1.8
329.21021	5.5
391.26205	4.9
409.27338	37.0
416.38748	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2734
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	5.2
55.01868	1.7
55.05507	16.7
57.03394	1.5
57.07073	8.0
57.09396	1.5
59.04983	3.3
65.03923	2.3
67.05504	19.4
69.03418	8.5
69.07063	9.6
71.04993	2.0
71.08615	2.7
79.05489	17.1
81.03413	2.2
81.07047	31.2
83.04967	6.1
83.08618	2.9
85.06535	3.2
85.10176	1.8
91.05476	35.8
93.07039	43.9
95.04961	49.3
95.08592	33.0
97.06503	7.7
103.05445	3.6
105.07024	100.0
106.07339	1.5
107.08595	22.4
109.06506	11.2
109.10139	8.2
111.08057	1.7
115.05428	3.7
117.07032	11.1
119.04955	2.6
119.08573	65.6
121.06508	13.8
121.10130	13.9
122.74678	1.3
123.08070	15.1
125.05990	1.6
125.09576	1.7
128.06216	4.9
129.06996	6.8
130.07745	4.2
130.65138	1.9
131.08565	26.2
132.09314	3.1
133.06474	6.3
133.10127	17.2
135.08057	13.8
135.11652	3.6
137.09613	7.0
141.06961	4.8
142.07751	12.3
143.08572	14.5
144.09293	2.1
145.06448	2.0
145.10118	33.1
147.08028	15.8
147.11671	43.0
148.08762	1.8
149.09619	9.6
151.07532	18.0
153.09042	2.7
155.08560	7.4
156.09328	5.4
157.10115	20.2
159.08015	5.9
159.11665	14.0
161.09613	6.1
161.13243	3.5
163.11185	3.7
165.09087	34.1
167.08543	5.6
168.09384	2.7
169.10155	7.0
170.10941	2.2
171.11665	6.9
173.09630	4.7
173.13249	6.3
175.11177	26.8
175.14703	2.6
177.09138	3.4
178.09898	1.7
179.08545	2.7
181.10115	3.7
182.10936	3.8
183.11705	6.3
185.09648	3.3
185.13249	6.3
187.14856	3.1
189.12727	6.5
191.14255	1.9
193.10094	1.8
195.11729	3.2
196.12459	1.7
197.13252	3.5
199.11147	3.7
199.14896	2.5
201.12773	6.0
201.16394	2.5
203.14253	14.1
207.11902	2.1
207.13770	6.4
209.13251	2.5
209.15227	2.5
211.14822	5.5
215.14389	3.5
219.13811	4.3
221.15335	62.7
222.15742	1.7
223.58488	1.6
225.16183	2.0
229.15753	3.6
229.56633	2.2
231.13835	3.5
233.15378	3.9
234.16098	20.0
267.17310	1.7
269.18832	1.6
286.19254	3.3
287.19904	7.8
299.19815	1.5
300.20737	3.4
329.21048	5.9
391.26471	4.8
409.27310	31.8
410.27628	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2559
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26351	0.4
54.42208	0.5
55.05505	1.1
61.99640	0.5
67.05492	1.2
69.07052	1.0
70.06561	1.0
71.75236	0.7
71.75605	0.6
79.05491	1.6
81.07053	2.2
83.05006	0.5
83.08595	0.7
91.05482	1.1
93.07038	1.4
95.08590	1.7
100.11230	0.8
105.07004	0.8
107.08572	0.8
109.06535	0.5
109.10159	0.6
111.04485	0.6
119.08564	0.7
131.08556	0.7
133.10123	0.8
146.10362	0.5
253.12540	0.5
269.10522	0.6
295.15274	0.9
373.23663	1.0
409.25574	100.0
410.25720	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	409.2735
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	4.6
55.05514	20.5
56.62675	3.0
57.03431	2.8
57.07058	11.2
59.04991	5.4
67.05514	22.4
69.03409	6.2
69.07052	12.1
71.04964	3.6
71.73837	3.1
79.05489	25.3
80.61444	2.8
81.07053	44.9
83.04982	3.6
85.06514	4.3
91.05469	44.2
93.07039	48.9
95.04964	51.7
95.08591	36.9
97.06503	11.5
105.06335	6.2
105.07021	100.0
107.08577	24.9
109.06498	13.0
109.10162	14.1
111.08016	3.7
113.61781	3.1
115.05481	4.1
116.64345	2.7
117.07030	15.9
119.08579	78.4
121.06509	22.4
121.10137	18.3
122.07265	3.3
123.08054	20.3
128.06184	5.0
129.06989	9.0
130.07780	6.4
131.08560	27.6
133.06531	5.0
133.10088	17.2
135.08073	14.5
135.11613	3.2
137.09587	12.6
141.07013	4.4
142.07758	14.2
143.08530	17.3
144.09341	4.0
145.10127	43.7
147.08032	18.4
147.11681	39.8
149.09613	12.1
151.07542	29.4
153.09128	5.1
155.08548	11.0
156.09370	5.2
157.10103	21.7
159.08087	6.3
159.11694	15.2
160.08720	3.9
161.09634	11.3
161.13322	4.0
163.11192	6.9
165.09109	43.6
167.08514	3.4
169.10106	13.0
171.11673	13.0
173.09637	8.8
173.13264	10.4
175.11223	22.9
177.09100	7.2
178.09959	3.4
181.10144	4.8
183.11717	12.3
185.13232	8.8
187.11157	7.3
187.14856	3.8
189.12756	7.5
197.13306	5.7
199.11143	5.2
201.12703	10.2
203.14366	16.5
207.13828	9.8
209.13225	4.9
211.14807	8.5
221.15343	74.1
229.15826	5.8
231.13765	4.7
234.16121	13.8
244.89136	4.4
287.20096	7.7
300.20871	4.4
329.21179	3.5
391.26443	7.2
409.27344	50.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2192
Annotation	Ser Phe Arg
Peak:m/z	Relative Intensity
52.92799	1.2
58.72015	1.2
59.41913	1.1
63.39529	1.0
67.04122	1.0
67.05495	1.5
67.33005	1.0
70.06579	2.2
71.74815	1.4
80.22407	1.0
104.00297	1.0
106.43760	1.0
112.54929	1.1
128.07210	1.2
129.84114	1.1
146.98363	1.1
149.02386	1.1
152.62790	1.2
156.88283	1.0
170.84293	1.2
193.04980	1.4
207.37268	1.3
221.32825	1.0
244.71001	1.3
299.99014	1.1
409.21918	100.0
410.22198	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2559
Annotation	Unknow
Peak:m/z	Relative Intensity
68.82280	0.8
70.94829	0.8
71.75199	1.0
94.94138	0.9
137.99828	0.9
175.73363	0.9
201.05775	0.8
201.11639	0.9
207.06531	3.5
208.07310	5.5
305.55878	1.0
409.25577	100.0
410.25851	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2556
Annotation	Unknow
Peak:m/z	Relative Intensity
59.18716	0.9
70.06570	1.2
71.26875	2.0
84.04496	1.6
98.94051	0.8
98.94692	0.8
158.47955	0.9
160.58295	0.9
229.07523	1.1
326.59311	0.9
353.21918	1.6
409.25586	100.0
410.25894	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1831
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97868	1.7
54.10482	1.7
55.05508	39.9
56.05036	3.3
56.05844	11.3
57.03449	3.6
58.99580	22.8
59.99914	2.9
60.99170	4.7
69.45306	21.5
70.06585	2.4
72.08147	3.5
76.02233	12.3
76.04012	3.9
77.69478	1.7
78.01798	8.2
79.05462	2.6
80.75761	1.8
81.07036	8.0
82.07386	4.4
83.06083	3.5
83.08612	52.7
84.04502	34.2
84.08956	18.1
84.09685	2.4
85.04829	12.2
85.42128	1.9
86.01427	2.3
86.99050	16.2
87.99390	3.3
88.02190	3.0
88.98593	2.1
98.09676	2.8
99.05569	2.4
99.08054	2.3
99.10015	3.0
101.09666	3.0
102.10030	2.1
115.05790	2.7
116.00836	3.0
116.01669	61.5
117.02076	14.1
118.01234	11.8
120.08130	1.9
121.02808	2.2
127.30432	2.2
129.06555	5.4
130.05005	7.1
131.05295	3.0
142.03192	2.9
143.03497	3.6
144.01151	25.5
145.01483	11.9
145.06099	3.2
146.00693	4.2
157.10521	2.1
159.06442	2.7
159.08392	34.1
160.08725	26.5
161.07959	2.2
162.02194	100.0
163.02563	42.0
164.01694	18.9
165.02048	2.1
176.09116	2.2
176.11024	2.7
186.37274	1.9
260.11353	5.6
261.10681	10.8
262.11081	42.7
263.11374	45.2
264.10916	6.1
279.13699	6.7
280.14053	18.8
300.27179	2.3
325.07150	6.2
334.15375	12.3
409.10162	7.2
409.16159	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	409.1831
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06811	1.2
55.01839	2.1
55.05508	40.9
56.05005	3.9
56.05838	12.5
57.03423	2.7
57.05357	1.6
58.99307	1.4
58.99578	19.6
59.99880	2.9
60.99165	7.6
61.01121	2.3
64.49577	1.4
69.07056	1.5
70.06548	3.8
70.07883	3.9
70.08299	4.4
72.08132	1.9
73.01094	2.0
76.02219	13.0
76.03999	7.5
77.02148	1.9
77.02554	2.0
78.01803	11.3
79.05450	2.4
81.07040	14.0
82.07340	4.4
83.06087	2.2
83.08612	47.4
84.04494	38.8
84.08128	1.9
84.08952	19.1
85.02875	2.0
85.04807	11.1
85.79246	1.3
86.09675	2.6
86.99040	15.8
87.00699	2.5
87.99362	2.6
88.00208	1.9
88.02177	4.2
88.98582	4.8
89.02204	2.1
91.05443	1.8
95.08570	2.8
95.91992	1.4
96.08121	1.5
96.08853	1.6
97.06471	1.5
98.09649	6.3
99.08075	1.9
99.09971	3.0
101.09618	1.8
102.05495	3.0
107.04896	5.7
110.09643	1.5
112.03959	2.0
113.04201	1.7
116.01660	66.1
116.04926	2.4
117.02034	17.5
118.01247	14.4
119.01529	3.2
119.97558	1.3
120.08039	3.4
124.07540	3.1
129.06525	6.0
129.07362	2.8
130.04947	10.9
130.06857	4.4
131.05258	4.2
134.96739	1.4
142.03122	3.8
143.03510	2.9
144.01140	28.0
145.01483	10.8
145.06056	2.1
146.00644	4.1
156.08293	1.6
156.10106	3.4
157.08711	3.5
157.10443	2.5
158.07921	5.2
159.08368	27.4
160.06668	2.0
160.08696	21.3
162.02187	100.0
163.02542	46.0
164.01692	19.4
165.02049	4.1
167.32933	1.5
171.02840	1.5
174.09377	1.8
176.08905	3.5
176.11082	1.7
177.09351	4.1
177.11327	3.2
181.04382	2.6
182.04649	1.4
211.11548	1.5
219.06561	1.7
229.10381	2.4
239.08202	1.5
239.61584	1.5
241.09608	2.1
243.11343	2.6
248.12714	6.4
252.08659	1.5
259.10919	4.1
260.11414	9.8
261.10617	20.0
262.11020	67.0
263.11380	53.0
264.10617	6.5
268.08337	2.9
271.10733	11.2
279.13785	8.4
280.14081	16.0
285.12134	3.7
298.12589	1.5
313.11758	3.3
323.10153	3.3
325.07013	2.9
333.14700	2.3
334.15219	22.5
341.11407	7.1
345.14337	1.8
355.12762	1.8
373.13586	6.0
391.08389	1.6
391.14667	8.1
392.15097	1.7
409.09760	3.8
409.15808	48.5
410.16290	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1828
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	0.8
56.05021	0.7
57.03434	0.7
60.99144	0.4
65.03944	0.5
66.85754	0.3
69.03424	1.0
69.07050	0.8
69.48138	3.4
70.06583	2.4
72.08133	1.1
73.04922	0.3
76.02222	0.6
77.15053	0.3
78.01792	1.3
79.05483	0.8
81.03402	0.7
81.07060	1.2
82.07404	0.5
83.04991	0.7
83.08604	0.4
84.04483	1.8
84.08138	1.7
85.02912	2.3
85.04829	0.5
86.09698	1.3
91.05468	0.9
93.03407	1.4
95.05013	0.6
95.06858	0.4
95.08580	0.6
97.02874	0.8
98.09676	0.4
98.20721	0.6
98.97557	0.5
102.05506	0.4
105.07018	0.5
107.04972	0.7
107.08595	0.4
109.02876	0.9
110.07169	0.6
111.04426	0.7
115.03863	0.5
117.07027	0.4
118.01247	1.0
119.04939	2.2
119.08586	0.7
120.08099	1.0
120.08913	0.4
121.02865	3.6
121.06524	0.4
127.03906	0.5
129.10196	0.6
130.04971	0.5
136.07539	1.1
137.02402	0.4
139.03836	0.5
145.04979	0.4
146.06006	0.6
147.00938	0.4
158.07938	0.4
159.08253	0.4
164.01750	0.6
165.01990	0.8
175.08722	0.7
176.15164	0.4
179.03395	1.5
181.04434	0.4
185.04198	1.4
189.01854	1.3
195.02895	1.9
201.06635	1.8
203.03389	1.0
203.05232	0.4
207.02892	2.5
213.07898	0.4
217.04953	0.8
225.04033	0.8
245.04570	0.4
246.05011	0.8
247.05481	6.3
248.06400	0.4
259.11115	0.5
260.11539	0.8
261.10886	1.2
262.11121	2.6
267.06540	1.4
268.07242	2.4
269.07712	0.5
279.06381	0.8
285.08694	0.5
289.08252	0.5
295.05991	9.5
296.06674	3.4
297.07471	3.0
307.05878	2.8
307.08908	0.4
309.07465	0.4
313.07889	0.9
320.06653	0.7
321.07535	1.3
325.07025	32.9
326.07446	3.7
331.09216	1.0
335.09167	2.1
349.06662	0.5
349.10318	1.0
361.07141	0.6
363.08530	1.2
372.51526	0.3
379.08176	0.5
391.07718	2.4
403.24481	0.4
409.10858	42.7
409.18271	100.0
410.11002	4.2
410.18668	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	409.1606
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03912	1.8
55.05507	30.8
56.05014	4.4
56.05851	8.3
57.03428	1.9
58.99578	10.7
59.99914	2.4
60.99141	4.0
61.33232	1.3
70.02033	7.1
72.08151	2.1
73.01130	2.4
76.02207	6.7
76.03979	4.4
78.01775	3.9
81.07025	4.9
82.01334	1.6
83.06103	1.8
83.08172	2.6
83.08619	29.1
84.04498	26.6
84.08096	1.6
84.08941	15.6
85.04820	8.2
86.99049	10.1
87.99384	3.2
88.02216	2.5
88.98638	2.4
93.83792	1.6
96.08912	1.6
98.09689	4.2
99.05530	1.7
99.08080	1.6
99.09959	2.3
101.09630	2.2
102.05557	2.2
116.01674	47.6
116.04053	1.7
117.02041	14.4
118.01250	8.3
119.01564	2.5
120.08026	2.3
129.06573	2.6
130.04974	5.1
131.05327	2.6
131.92087	1.7
142.03229	2.3
144.01131	21.3
145.01547	8.2
146.00688	2.7
156.10190	2.7
157.10535	1.6
158.07973	4.4
159.08408	21.3
160.08719	15.2
161.07977	1.5
162.02190	76.9
163.02541	35.6
164.01685	7.5
165.01991	2.0
170.57172	1.5
177.09435	1.8
179.05026	1.7
181.04385	2.1
211.08614	2.9
213.10284	1.7
215.11682	2.0
225.06639	1.6
225.10178	4.4
239.08086	4.5
239.11768	3.4
241.09663	3.2
243.11128	3.6
253.09761	4.6
259.10925	5.0
260.11435	5.4
261.10699	12.2
262.11053	42.2
263.11395	45.7
264.10681	2.1
267.07687	1.8
267.11209	4.3
268.08505	4.7
271.10736	23.5
273.12338	2.0
275.10220	2.0
277.11816	2.2
279.13776	3.8
279.73642	1.6
280.14017	11.3
285.08972	2.1
285.12305	4.5
295.10721	4.4
299.14011	1.8
313.11835	4.2
323.10187	7.2
325.06863	2.6
327.13358	2.6
333.14688	3.7
334.15131	19.8
335.12329	2.1
341.11380	11.5
345.14517	2.9
355.12640	2.4
359.12405	2.3
373.14078	12.2
391.14948	22.6
392.15121	2.0
409.10669	3.4
409.15994	100.0
410.16348	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1466
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64196	0.6
55.01872	1.4
55.05502	1.8
56.37310	0.6
67.05505	1.7
69.03423	8.8
69.07066	1.1
69.58398	4.7
70.06586	26.0
71.06905	2.3
72.08147	6.1
74.02438	0.7
79.05484	1.4
81.03397	2.9
81.07037	2.1
83.04974	1.1
84.04498	2.4
84.08125	2.1
85.02906	1.1
86.09705	6.3
87.10023	1.0
91.05463	3.7
93.07035	1.3
95.04946	1.3
95.08613	1.0
102.05544	1.0
105.03362	0.6
105.07018	1.7
107.04941	2.3
107.08599	1.2
109.02879	2.9
109.06483	1.1
109.10165	1.2
111.04415	0.8
115.05476	1.5
117.07037	1.4
118.06513	2.3
119.04922	2.4
119.08534	1.1
120.08074	3.7
121.02863	2.3
121.06508	1.3
121.08440	1.5
123.04405	2.0
124.04775	0.6
125.07111	0.9
127.03907	1.0
129.06964	1.1
131.04962	0.7
131.08510	0.9
133.06488	1.9
134.05986	0.7
135.04387	4.5
135.06758	2.0
135.08163	0.5
136.07599	3.8
137.02316	5.5
137.03268	0.9
137.07906	1.3
143.04858	0.8
145.06517	1.1
145.10165	0.9
146.05963	2.4
147.04466	1.3
147.06300	1.0
151.03920	1.2
153.01808	0.7
161.02348	1.1
161.05983	1.3
162.05460	0.9
165.01790	0.6
165.05414	2.0
166.08676	1.9
167.03346	0.8
167.08971	1.0
172.11197	1.2
177.01868	2.6
179.03569	1.1
182.08150	1.2
183.08388	0.8
183.55750	0.6
185.05952	1.0
187.96320	0.5
189.01799	1.4
191.03519	0.6
195.02888	7.4
201.05466	0.6
203.03380	1.4
207.02866	1.8
215.03345	0.8
215.14005	0.8
216.14291	1.0
217.08421	0.6
217.13390	1.4
219.02980	0.9
221.04529	1.5
229.04890	1.9
229.12056	0.9
231.06535	1.5
245.12920	0.7
247.05966	0.9
247.09564	1.0
257.04468	2.3
265.09250	0.7
283.06042	1.7
284.06796	1.5
286.10703	0.8
293.69556	0.7
295.05981	3.9
299.05524	0.7
307.06058	1.7
309.07440	1.9
310.15341	0.8
311.05481	23.5
312.05960	3.4
313.07059	3.4
320.06638	1.0
321.07599	1.0
323.05566	2.4
325.06949	5.1
325.20520	0.7
335.09021	1.4
337.07083	4.8
338.07446	1.0
339.08398	3.0
341.06564	10.4
347.09232	3.5
349.07022	1.8
351.04813	1.8
353.09793	2.0
363.08505	7.5
365.06534	1.2
365.15686	1.9
366.07169	0.8
367.07660	1.0
373.06750	0.7
381.09857	3.1
385.70551	0.7
391.08087	18.6
392.08371	1.3
409.09000	45.5
409.14648	100.0
410.09338	3.5
410.14972	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	409.11
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	0.9
55.05498	0.9
56.05017	1.0
57.03419	0.8
57.60139	0.3
58.99585	0.6
60.99154	1.0
61.01120	0.4
67.05497	0.7
69.03413	0.9
69.07044	0.7
69.38309	4.2
70.06583	4.4
70.75183	0.4
71.04974	0.4
71.06905	0.5
72.08138	1.8
76.02205	1.0
78.01791	1.0
79.05497	0.9
81.03421	0.7
81.07053	2.9
82.07378	0.8
82.22374	0.4
83.71024	0.4
84.04507	2.9
84.08121	2.6
85.02896	2.8
85.04794	0.5
86.09698	1.8
88.00224	0.5
88.98643	0.6
89.02213	0.4
91.05450	1.0
93.03402	0.8
93.07029	0.6
95.04974	0.4
95.08597	0.9
95.99992	0.3
97.02863	1.0
98.09688	1.0
98.20729	0.7
99.04444	0.4
99.08158	0.4
99.09962	0.4
102.05537	0.7
105.07025	1.0
107.08545	0.5
109.02855	1.1
111.04432	0.5
112.11256	0.4
116.01672	0.7
118.01232	1.3
119.01592	0.6
119.04929	1.3
119.08518	0.5
120.08074	1.6
121.02859	2.9
121.03608	0.3
121.03989	0.3
121.10134	0.8
123.08035	0.7
127.03878	0.7
129.10222	0.8
129.13863	0.6
130.04990	0.8
133.10165	0.6
136.07582	1.9
139.03877	0.4
145.04971	1.1
146.00732	0.8
146.06035	0.8
147.04391	0.5
151.03891	0.4
157.10550	0.7
158.07947	0.6
158.99643	0.4
159.08365	0.7
161.02356	0.5
162.02193	0.8
164.01711	1.1
165.01923	0.7
170.37761	0.4
175.14786	0.7
176.08952	0.4
177.09393	0.4
179.03412	0.7
180.02650	0.4
181.04326	0.6
185.04184	2.2
189.01852	0.9
193.15753	0.4
195.02847	1.6
197.04402	0.4
201.06601	2.3
203.03421	0.6
203.05229	0.5
207.02837	2.1
217.04918	0.8
217.13385	0.4
218.06415	0.4
225.03923	0.7
229.11993	0.4
238.29526	0.4
246.04945	1.4
247.05486	10.3
260.11328	1.1
261.10660	2.6
262.11002	5.2
263.11307	0.4
267.06451	0.6
268.07205	1.9
285.08643	0.8
295.05981	6.7
296.06625	1.7
297.04590	0.3
297.07535	2.2
303.09543	0.5
307.06094	2.0
309.07376	0.4
313.07739	1.1
315.09607	0.6
321.07623	0.9
325.07028	27.9
326.07248	0.8
331.09326	1.8
333.10757	0.5
335.09241	1.1
337.06860	0.5
345.14352	0.5
349.10300	0.8
359.08517	0.6
363.08484	1.0
391.07657	2.0
409.10910	68.3
409.18243	100.0
410.11575	2.0
410.18692	1.3
425.14313	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1239
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	9.3
55.05498	3.3
60.04498	4.4
67.05493	2.5
68.99790	2.7
69.03407	4.9
69.07076	2.2
69.92663	11.5
70.02948	2.7
70.06584	13.3
72.08147	22.9
79.05498	4.4
81.03418	3.8
81.07060	4.0
84.04479	2.9
84.08141	7.6
85.02897	6.0
86.09691	8.1
86.64024	1.7
87.05564	4.2
88.03986	2.3
91.05482	9.1
93.07036	4.2
95.04964	5.6
96.08131	1.9
97.02883	4.4
105.07030	4.1
107.04935	4.8
109.02849	4.3
110.07159	2.0
111.04434	2.4
114.09200	5.6
119.04943	7.3
119.08546	3.2
120.08082	15.5
121.02863	30.9
121.06503	3.5
123.04510	2.5
129.10257	2.2
136.07568	5.5
145.02843	3.7
146.06044	3.0
147.04340	3.3
151.03889	2.0
159.11250	23.0
161.02412	2.9
161.07104	26.9
166.08536	3.9
168.06493	2.0
168.07996	3.1
171.04451	3.0
177.01871	2.9
177.10222	2.6
179.03384	3.4
187.03841	1.9
187.05089	17.4
187.10834	7.8
189.01778	5.3
191.03397	3.3
195.02930	6.1
197.07123	4.1
201.06558	10.4
203.03406	7.5
205.09743	2.0
207.02875	5.4
211.04991	4.1
211.08658	7.0
213.06497	2.8
213.10176	3.2
215.08144	18.9
217.04863	5.0
221.04437	2.1
223.10745	6.4
225.06551	10.0
226.07329	3.9
227.08081	2.6
229.06067	13.3
229.09688	2.8
230.06700	3.1
231.07594	3.4
233.09148	5.4
239.08192	19.0
240.05267	2.8
241.06212	3.3
241.09779	5.6
243.07668	32.1
244.08212	2.4
247.10814	3.2
251.10268	2.1
253.05994	7.1
254.06770	6.9
254.10199	1.8
257.09204	19.3
261.08719	15.2
267.07748	13.4
268.07388	2.8
269.09149	6.7
271.07159	24.7
272.07611	2.0
273.03967	2.8
273.08667	5.8
279.06534	4.3
283.05957	3.1
285.08670	60.1
287.10257	4.6
288.74252	2.0
289.08142	42.7
290.08264	3.3
292.07358	2.8
293.07938	4.1
294.05191	6.5
295.05954	28.8
296.06680	5.9
297.08670	16.3
303.09702	20.2
305.08084	3.6
306.08850	4.6
307.05948	17.2
307.09335	14.4
308.06677	6.6
309.07410	11.0
313.08167	78.7
313.58923	2.0
314.08224	4.1
315.09726	27.5
317.07736	4.2
320.06824	5.1
321.07660	21.5
322.08243	2.3
323.05682	2.9
325.07053	50.7
326.07306	2.8
331.09219	100.0
331.25385	2.1
332.09567	7.4
333.07364	4.4
333.10809	23.8
334.08221	4.6
335.09073	24.7
337.06967	14.9
339.08691	7.3
341.07690	10.9
341.11176	2.6
345.07587	7.7
349.07007	9.9
349.10394	95.6
350.10757	4.5
351.08691	5.9
359.08698	27.2
360.09018	3.6
363.08600	37.5
364.08786	3.9
367.07626	2.4
367.11472	15.4
373.02417	2.4
373.07074	6.0
377.09796	34.2
379.08011	4.7
381.09479	2.3
391.07382	56.9
391.11963	17.8
391.18811	2.4
392.08258	4.5
409.09045	48.3
409.12961	26.2
409.18433	18.5
410.09485	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	409.0904
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96563	18.4
70.06569	7.8
70.25928	10.4
72.08118	3.4
84.08129	4.6
84.96025	11.9
86.09695	7.1
98.97577	43.2
105.07020	4.2
110.07161	2.9
110.97551	12.5
116.42449	2.2
116.98600	24.8
119.08585	2.3
120.08101	6.1
128.98602	13.0
131.00148	3.0
134.99632	7.6
140.98633	2.7
141.24811	2.4
143.00130	7.7
144.98090	2.8
146.99626	12.2
149.01189	3.2
150.16376	2.4
152.98654	2.3
158.99648	8.5
161.01166	6.8
162.99139	3.8
170.99660	6.0
176.93942	2.3
177.00714	11.6
179.02376	4.4
179.03798	15.4
183.42285	2.2
184.74983	2.2
189.00694	5.4
195.01799	3.0
197.04828	14.5
201.00803	3.1
203.03671	3.4
219.01753	31.2
221.04875	21.0
237.02789	45.1
239.05893	8.0
242.03311	3.3
244.94707	3.2
253.08258	2.7
255.04135	2.9
260.04590	2.3
263.05856	6.8
323.07999	100.0
324.08084	2.7
341.09061	81.5
365.09082	24.9
383.09937	6.6
391.13177	5.8
409.08908	71.4
409.17923	3.5
410.08566	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	409.053
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15349	3.5
56.96560	5.5
60.38544	3.7
62.78041	3.2
65.98553	3.2
67.67844	3.5
70.06557	4.0
71.50086	8.0
72.08112	3.4
75.29092	3.7
76.46043	3.5
78.28577	3.6
92.42912	3.8
98.97602	3.7
101.00874	8.1
116.98633	4.9
117.03372	3.3
119.01899	18.8
131.01932	4.6
133.03453	8.9
143.01868	19.6
145.02771	5.9
147.04402	6.5
155.01883	8.9
161.02924	21.7
163.03908	6.5
173.02959	8.4
177.05507	12.6
187.00908	5.2
189.02429	5.7
199.03625	9.3
201.02359	7.0
203.03914	5.4
217.01891	11.9
231.03484	5.1
233.02808	9.0
247.04198	23.3
247.16574	4.1
259.02957	5.8
263.06253	5.9
275.02380	5.0
289.04077	12.9
301.04068	8.3
307.05075	16.1
319.04831	3.8
352.47952	3.9
391.07996	6.0
401.84061	4.0
405.60580	4.4
409.11136	100.0
410.10956	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	408.9748
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98986	1.5
51.02367	1.5
53.03942	44.2
56.96560	77.8
57.97377	1.4
58.99843	2.0
60.99611	3.4
64.17177	1.3
71.73837	1.3
74.97601	3.5
77.00888	1.3
79.00633	1.7
81.03410	66.0
84.08132	1.6
84.96025	41.4
97.04025	3.3
98.97559	15.6
100.99150	4.1
101.00871	6.1
102.97063	4.7
103.00653	1.8
103.02448	1.7
105.02203	3.6
108.99751	1.6
109.07881	1.4
110.07257	1.3
115.00671	6.8
115.02396	2.5
116.98609	14.1
117.03973	3.4
118.04124	1.9
119.00237	2.6
119.01913	21.1
119.03743	17.6
119.53680	1.2
120.01987	2.8
121.01637	15.7
121.02335	1.5
123.03223	2.5
124.99092	22.5
124.99867	1.9
126.97035	2.7
127.02457	5.5
128.84943	1.3
129.02168	4.6
129.04028	1.6
131.01904	5.4
133.01765	7.8
133.03441	4.1
134.99655	7.8
135.05023	3.7
136.05183	1.4
136.07591	1.9
136.99126	5.8
137.02966	3.9
137.04759	12.8
139.02682	5.8
140.98608	2.0
143.00151	80.2
143.01939	4.1
144.98064	5.9
145.01685	3.5
145.03450	47.4
146.03592	6.3
147.03180	58.4
147.05003	3.3
149.01118	1.7
149.02872	1.8
153.00574	1.6
154.93250	2.1
155.00143	27.1
155.01862	8.0
157.03432	9.9
158.99664	10.7
159.05060	2.8
159.06807	2.4
160.51332	1.5
161.01213	100.0
161.02884	8.1
161.04797	5.1
162.99124	19.4
163.02814	2.3
163.04556	10.5
164.04663	1.8
165.04228	22.9
166.01814	2.8
167.01996	2.7
168.05031	1.3
168.98079	3.4
169.01984	2.4
169.03477	6.5
170.04785	3.0
170.99652	1.5
171.01318	1.7
171.04961	1.5
172.94252	7.4
173.01236	58.1
173.02934	10.2
173.04547	2.6
175.04541	5.2
177.00691	18.3
177.02113	2.2
177.07930	5.8
179.02271	14.5
181.00229	3.3
181.03499	3.7
183.05043	2.4
184.02847	3.6
185.02954	8.9
185.04568	1.9
185.06575	2.9
186.99077	17.8
187.04532	17.3
187.06383	11.3
188.97038	1.9
189.02452	3.3
189.04311	6.4
190.95343	8.1
191.02202	22.9
195.01802	2.7
195.05017	1.7
196.02794	1.8
197.01263	2.0
197.04747	11.3
199.02716	3.8
199.04495	4.8
201.06047	1.9
202.98639	2.7
203.04057	3.0
203.05855	7.6
205.00197	32.3
205.07411	3.0
205.12428	1.4
206.98096	1.7
207.03542	1.6
209.03279	4.8
211.04585	3.3
212.97388	2.0
213.02444	3.1
213.04311	10.7
213.06142	5.7
215.02344	9.0
215.05812	23.2
217.03674	3.0
221.05035	3.0
222.99036	2.4
223.01140	36.2
223.04544	1.9
229.05606	2.5
230.98291	3.1
231.03423	1.9
231.05486	5.2
231.99794	6.0
233.03271	2.4
234.99013	2.0
235.06654	4.1
238.07417	2.0
241.03801	23.1
243.01791	6.1
248.99176	32.9
249.06421	2.0
252.96968	4.1
253.02325	2.5
253.07629	4.2
256.96359	2.7
257.03384	4.2
259.04904	15.5
261.02890	4.7
267.00122	50.2
270.97882	3.3
271.06610	2.0
272.00732	2.1
275.04517	1.9
275.09750	4.2
282.94244	2.8
285.03122	9.1
286.93982	1.8
290.01755	1.8
293.05368	1.7
300.95343	3.8
303.04010	9.2
303.09222	35.6
303.12643	2.3
305.01889	2.9
305.07162	4.9
311.00735	7.1
321.05084	1.7
328.94925	29.9
329.01694	55.0
329.07175	3.1
346.95929	79.2
347.02832	30.0
347.08197	8.9
352.03403	2.1
364.96872	3.4
369.97534	4.9
370.04431	2.1
373.00900	5.8
373.06152	7.8
391.01913	5.3
391.07147	9.5
408.97479	25.7
409.02512	2.5
409.08087	3.5
426.98499	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	408.2741
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.6
55.01878	3.3
55.05505	25.8
57.03404	3.4
59.12522	2.2
67.05498	38.3
68.05014	6.3
69.03413	2.4
69.07058	22.0
69.52661	15.9
69.53073	3.9
70.06584	87.7
71.04971	4.7
72.08165	3.8
79.05488	20.8
80.24149	2.0
81.03408	18.0
81.07047	45.0
83.04970	2.7
83.08601	12.3
84.04484	2.6
84.08125	3.1
85.02884	3.5
85.06540	3.1
86.09695	3.8
91.05473	37.3
93.07027	19.9
95.04960	5.2
95.08594	31.7
96.08124	2.3
97.06497	3.1
97.10156	6.7
98.06054	7.0
98.20675	4.7
103.05503	2.4
105.07018	48.1
107.08587	14.7
109.06499	5.2
109.10138	15.5
114.05523	27.9
116.07079	97.1
117.06986	21.3
119.08569	59.6
120.08092	4.9
120.08925	2.4
121.06537	3.9
121.10125	8.9
122.09612	3.6
123.08065	13.8
123.11706	5.1
125.09592	4.2
128.07076	2.9
129.07019	6.4
131.08554	24.4
133.10117	66.9
134.10498	2.8
135.11662	5.2
136.07484	3.2
137.06009	2.3
137.09631	3.0
137.13252	2.5
141.06952	2.2
143.08556	9.2
144.06575	4.3
145.10098	20.4
147.10571	4.6
147.11665	48.7
149.09612	5.3
149.13222	2.9
150.12764	7.3
154.08617	7.3
155.08516	9.9
157.10118	8.7
159.11696	22.2
161.09737	2.2
161.13206	4.0
163.11089	2.5
169.10109	4.1
171.11705	10.6
173.09604	3.3
173.11763	3.7
173.13214	14.8
183.11630	4.0
185.13261	8.3
187.07718	2.1
191.14015	2.1
196.13312	66.2
197.13252	15.9
197.49039	2.4
203.55199	2.1
210.14844	2.4
227.17909	8.8
228.15855	4.5
229.19460	4.5
239.17943	22.6
245.18965	4.6
246.16968	6.5
257.18881	12.8
258.94638	2.6
264.19516	9.0
275.20029	73.2
292.18930	12.0
297.71237	2.3
310.20099	100.0
311.20303	3.1
362.27213	3.1
408.27463	66.6
409.27637	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	408.274
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43734	1.9
53.03935	3.0
55.01882	2.9
55.05502	38.1
57.03440	4.8
60.86665	2.1
65.03918	3.2
67.05496	31.2
68.05017	8.9
69.03417	3.1
69.07075	12.0
69.58746	20.1
70.06586	100.0
71.04990	4.3
72.08160	3.3
79.05486	23.1
80.05811	2.9
81.03417	15.3
81.07050	40.1
83.04966	5.4
83.07360	3.5
83.08611	28.1
84.08119	5.6
85.02911	3.5
85.06553	2.6
86.06047	3.6
88.07677	3.0
91.05466	27.8
93.07023	19.8
95.04963	43.3
95.08591	26.4
96.08109	4.9
97.06540	3.4
97.10150	8.2
98.06046	3.1
98.20694	4.8
105.07033	27.9
107.04922	4.6
107.08596	20.3
108.08099	4.0
109.10163	13.9
110.09644	3.6
114.05538	11.3
114.09145	3.6
116.07073	84.8
117.07006	13.0
119.08567	40.5
120.08072	4.2
121.06470	2.6
121.10104	12.0
122.09660	5.3
123.08026	11.6
125.09627	5.8
128.07097	2.8
129.07019	3.5
131.08568	18.7
133.10124	49.8
135.11694	5.4
137.09628	3.2
142.07664	3.2
142.08595	11.5
143.08578	6.4
145.10117	20.1
147.11688	24.7
149.09610	12.0
149.13223	2.8
150.12811	4.8
154.08614	13.1
155.08479	3.8
157.10103	6.2
159.11659	16.1
161.13126	2.7
163.11159	13.0
168.06538	4.5
169.10037	2.3
170.11023	2.0
171.11714	8.3
173.13248	6.5
175.95036	2.2
182.11801	4.1
183.11652	2.9
189.11224	9.5
195.28619	2.1
196.13316	37.7
197.13239	6.9
205.12245	3.2
223.13266	42.5
227.17960	5.0
229.19585	5.7
236.16431	11.3
239.18004	10.3
246.17001	2.4
247.97826	2.2
252.16185	2.6
252.19629	11.8
254.17461	73.7
255.17859	4.9
257.19034	9.0
264.16141	3.9
264.19528	6.0
275.20035	54.7
278.75964	2.3
280.19135	15.8
282.16943	56.6
283.17169	4.0
284.18442	3.5
292.18976	6.7
293.21085	27.6
298.20206	14.5
301.77063	2.2
310.20093	50.5
343.85617	2.4
362.26953	5.4
380.28003	6.8
390.26437	2.8
408.27451	53.4
409.27374	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	408.2737
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	0.6
55.04245	0.3
55.05510	3.6
67.05512	1.7
68.05020	2.2
69.05804	4.0
69.07061	1.5
70.06586	15.5
71.04942	0.4
71.63635	0.3
71.63966	0.4
72.08094	0.3
79.05478	1.6
80.04986	0.4
81.07049	2.0
82.06554	1.0
83.07354	5.4
83.08611	2.6
84.08137	2.6
91.05432	0.8
93.07035	1.3
95.04972	1.4
95.08578	1.2
96.08121	0.4
97.10140	0.8
105.07000	1.0
107.08561	1.0
109.10104	0.8
110.09624	0.3
111.04400	0.4
111.06822	0.3
114.05518	0.6
116.07085	2.4
119.08595	0.7
121.10139	0.7
123.11707	0.4
125.09591	0.5
126.09101	0.7
131.08562	0.4
135.11606	0.5
137.05981	1.6
137.06879	0.3
138.06242	0.7
142.08603	0.8
145.10081	0.8
147.11652	0.5
149.09610	0.7
154.08537	0.5
163.03911	0.3
163.11197	0.6
168.06587	0.4
174.99037	0.4
177.00600	0.3
185.01006	0.3
189.00499	0.9
203.02203	0.4
208.16905	0.6
212.02173	0.3
218.15506	0.3
223.13319	2.8
226.18008	1.5
236.16428	9.2
237.16812	0.6
252.15930	0.4
252.19438	1.3
254.17488	100.0
255.17819	3.3
256.01181	0.3
264.15903	1.2
269.06772	0.3
275.20160	1.5
280.19034	2.3
282.16974	24.9
283.17288	1.0
293.21161	1.7
298.20129	2.2
309.16608	0.5
362.26804	0.5
367.14279	0.3
373.23676	0.4
380.27942	15.0
381.28128	0.6
390.26517	1.0
408.15726	0.5
408.27402	15.4
409.25568	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	408.2739
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01850	0.2
55.05463	0.8
57.07037	0.3
61.77924	0.2
67.05504	1.3
67.05778	0.4
68.05027	2.1
69.05804	3.1
69.07034	0.5
70.06590	4.7
70.23509	1.2
71.04935	0.4
71.06890	0.3
72.08105	0.4
79.05440	0.6
80.04990	0.5
81.07007	0.8
82.06528	0.9
83.04926	0.4
83.06894	0.4
83.07352	4.6
83.08562	0.8
84.08132	2.6
86.09631	0.2
88.77882	0.2
91.05428	1.0
93.06993	1.0
94.71101	0.2
95.04890	0.3
95.08556	0.5
97.10139	0.3
105.06976	0.8
107.08514	0.7
108.08073	0.2
109.06509	0.3
109.10101	0.6
111.06771	0.6
116.07056	0.2
119.08502	0.3
121.10094	0.4
123.08070	0.3
126.09093	0.6
133.10103	0.3
145.10049	0.3
162.03026	0.2
169.15833	0.3
169.24921	0.3
179.14314	0.3
180.13832	1.1
208.13315	0.4
208.16943	0.8
211.41473	0.2
223.13219	0.7
226.18008	2.2
236.16454	6.1
237.16763	0.3
238.17995	4.2
239.18103	0.3
254.17496	100.0
255.17868	4.6
264.15970	0.4
280.18887	0.3
282.16977	37.5
283.17401	1.8
293.21198	0.6
321.17883	0.3
367.11588	0.3
367.15826	0.9
380.27872	2.0
393.63574	0.3
407.76801	0.8
408.27457	7.5
409.25571	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.2738
Annotation	Blacknidine
Peak:m/z	Relative Intensity
53.03942	0.8
55.05502	2.8
56.05019	3.8
57.03427	0.8
57.07080	1.2
65.03946	1.1
67.05499	11.9
69.07056	2.3
69.42121	0.7
69.42525	5.6
71.04994	0.7
71.08649	0.6
72.79594	0.5
76.92130	0.5
77.64600	0.5
78.57303	0.4
79.05482	10.1
81.03388	0.7
81.06599	1.0
81.07047	13.5
83.08609	1.6
84.04495	100.0
85.02909	1.5
85.04839	0.7
85.06522	0.6
88.94661	0.4
91.05478	6.9
93.07036	14.8
95.04961	1.9
95.08596	10.0
96.12592	0.5
97.06536	0.8
97.10142	0.6
102.05528	34.1
105.07037	4.9
107.08588	8.4
107.09249	0.8
109.10126	3.9
111.08087	0.6
117.07001	1.8
119.08542	3.3
121.10135	7.0
123.11677	2.0
127.15066	0.5
129.07045	0.5
130.04988	60.4
131.03421	0.7
131.05339	1.1
131.08537	4.1
133.10141	2.7
135.11659	5.0
137.13281	0.6
143.08539	0.8
145.10107	3.7
147.11688	2.2
148.06029	74.8
149.06441	0.8
149.13278	3.0
157.09982	0.6
159.11691	2.3
161.13226	1.7
163.14842	1.3
173.13229	2.1
177.16371	1.2
187.14778	0.9
200.51093	0.5
201.16292	0.7
233.22670	0.9
243.21120	3.6
261.22131	11.6
262.22400	0.6
327.23334	0.7
334.17365	0.6
344.25793	0.9
362.26743	1.1
372.25748	0.9
390.26355	1.2
408.27478	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	408.2589
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	6.6
55.01862	14.3
55.05506	12.1
57.03422	11.4
61.02922	7.4
62.80405	5.9
67.05494	14.6
69.03407	27.1
69.07053	18.4
70.06576	42.7
71.04982	8.6
71.73385	9.2
72.08143	22.6
73.02922	5.8
79.05472	10.4
81.03400	27.9
81.07034	27.1
83.83985	6.2
84.04484	7.5
84.08141	24.7
85.02879	43.6
85.06522	29.3
86.09676	31.7
87.00798	11.1
91.05480	18.7
93.07034	17.7
95.08591	20.5
97.02858	15.8
97.06518	13.5
98.09670	17.4
99.04452	13.6
99.08069	27.0
102.09173	19.9
105.01917	6.3
105.07043	13.9
107.04917	13.9
107.08573	17.3
109.02863	13.9
109.10130	17.9
115.07574	6.5
116.10699	43.9
117.06960	7.7
119.04948	6.8
119.08589	15.1
120.08086	13.8
121.02845	33.5
121.06516	8.1
121.10123	9.5
123.08077	9.0
123.11687	10.0
127.03913	20.9
133.10129	26.2
135.11671	21.4
139.83766	6.5
142.12279	20.4
145.04935	9.2
145.10124	7.0
149.13264	7.8
153.01709	7.4
160.13332	100.0
175.14803	37.3
189.01730	8.5
193.15842	45.5
195.02882	13.6
203.03398	8.7
207.02835	9.4
211.16930	65.7
217.04919	8.0
245.04425	6.8
283.05911	7.4
288.13199	8.4
294.05164	9.2
295.05951	45.4
307.05969	18.9
309.07632	10.4
320.06808	10.6
321.07495	18.7
323.09012	7.2
325.03375	15.9
325.07071	49.7
334.08215	8.2
335.09314	29.9
337.07190	14.5
345.07562	10.4
346.32990	8.4
349.07065	19.5
350.14362	11.8
363.08731	32.0
364.19843	10.5
373.06805	12.5
391.08188	82.5
408.07684	15.6
408.18658	44.8
408.23383	10.9
409.09256	96.1
409.14197	10.5
425.88577	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	408.2587
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	3.8
55.01848	8.8
55.05500	20.9
57.03419	14.0
57.07058	7.4
60.04510	4.3
61.02906	10.0
67.05492	24.9
69.03425	22.0
69.07057	20.2
69.81113	3.1
70.06587	19.6
70.08824	11.8
71.04972	21.9
72.08136	19.4
75.04453	3.3
76.03993	3.1
79.05463	13.5
81.03400	15.0
81.06609	4.0
81.07047	55.2
83.04955	5.0
83.08599	13.8
84.04483	10.8
84.08130	8.1
85.02894	78.2
85.06519	8.1
85.07641	3.8
86.09678	12.6
88.30650	2.9
91.03926	3.7
91.05463	13.3
93.07029	56.6
93.43972	2.6
95.04946	10.5
95.08590	53.4
97.02888	22.2
97.06510	21.3
97.10138	5.2
98.21542	3.6
98.97560	10.7
99.04442	8.8
99.08082	3.6
103.05408	3.9
105.07010	19.1
107.04944	4.1
107.08583	44.7
109.02857	7.1
109.06506	14.1
109.10149	52.4
111.04439	5.8
111.08063	8.5
113.09621	9.8
115.07555	6.9
116.01656	8.4
116.98621	6.2
119.04889	7.5
119.08562	49.2
120.08091	20.8
121.02838	10.2
121.06485	4.1
121.10124	62.1
123.08057	7.3
123.11691	95.2
124.11967	3.6
125.09634	3.4
127.03946	15.5
130.05019	3.7
133.10107	39.4
135.11681	36.8
135.34311	2.9
136.07570	5.1
137.02290	5.6
137.09599	42.9
137.13220	15.7
139.33369	3.0
145.04958	23.2
146.06050	3.2
147.04332	3.3
147.11647	7.1
149.13205	22.9
153.12694	5.1
155.10620	21.0
159.08374	4.2
159.11331	13.5
160.07533	5.6
161.07100	14.2
162.02213	12.7
163.05952	5.0
165.09053	3.5
167.14293	9.2
175.11142	2.9
175.14803	76.9
187.04997	4.3
189.01865	3.9
192.10210	6.9
193.12303	3.6
193.15862	50.2
195.02942	4.4
207.02905	3.6
211.11436	2.9
211.13402	4.2
211.16917	29.6
214.08623	5.4
215.08096	8.2
215.75281	3.2
217.04909	4.1
223.10849	3.8
229.17883	14.6
239.08107	4.2
241.09518	4.5
243.07652	9.6
246.52234	4.7
256.19769	3.0
257.09128	7.1
261.10956	4.2
262.11011	7.1
267.07660	3.5
271.07098	6.7
285.08649	15.9
289.08176	10.9
294.05154	7.4
295.06052	12.2
303.09595	3.8
307.05890	12.6
307.09052	4.2
313.08237	20.9
315.09573	7.8
320.06763	3.6
321.07578	6.9
323.05737	3.6
324.06000	3.8
325.07050	27.5
331.09195	24.1
333.10880	4.9
335.09097	6.4
337.07010	9.3
346.22342	3.8
349.06635	4.6
349.10284	20.6
351.08490	3.5
359.08450	6.5
363.08627	12.2
367.11420	4.9
377.09744	7.0
380.08206	3.7
381.09805	4.9
391.07510	18.3
391.12302	6.3
408.07904	20.8
409.08795	39.0
409.18213	100.0
427.16504	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	408.2587
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	3.8
55.01848	8.8
55.05500	20.9
57.03419	14.0
57.07058	7.4
60.04510	4.3
61.02906	10.0
67.05492	24.9
69.03425	22.0
69.07057	20.2
69.81113	3.1
70.06587	19.6
70.08824	11.8
71.04972	21.9
72.08136	19.4
75.04453	3.3
76.03993	3.1
79.05463	13.5
81.03400	15.0
81.06609	4.0
81.07047	55.2
83.04955	5.0
83.08599	13.8
84.04483	10.8
84.08130	8.1
85.02894	78.2
85.06519	8.1
85.07641	3.8
86.09678	12.6
88.30650	2.9
91.03926	3.7
91.05463	13.3
93.07029	56.6
93.43972	2.6
95.04946	10.5
95.08590	53.4
97.02888	22.2
97.06510	21.3
97.10138	5.2
98.21542	3.6
98.97560	10.7
99.04442	8.8
99.08082	3.6
103.05408	3.9
105.07010	19.1
107.04944	4.1
107.08583	44.7
109.02857	7.1
109.06506	14.1
109.10149	52.4
111.04439	5.8
111.08063	8.5
113.09621	9.8
115.07555	6.9
116.01656	8.4
116.98621	6.2
119.04889	7.5
119.08562	49.2
120.08091	20.8
121.02838	10.2
121.06485	4.1
121.10124	62.1
123.08057	7.3
123.11691	95.2
124.11967	3.6
125.09634	3.4
127.03946	15.5
130.05019	3.7
133.10107	39.4
135.11681	36.8
135.34311	2.9
136.07570	5.1
137.02290	5.6
137.09599	42.9
137.13220	15.7
139.33369	3.0
145.04958	23.2
146.06050	3.2
147.04332	3.3
147.11647	7.1
149.13205	22.9
153.12694	5.1
155.10620	21.0
159.08374	4.2
159.11331	13.5
160.07533	5.6
161.07100	14.2
162.02213	12.7
163.05952	5.0
165.09053	3.5
167.14293	9.2
175.11142	2.9
175.14803	76.9
187.04997	4.3
189.01865	3.9
192.10210	6.9
193.12303	3.6
193.15862	50.2
195.02942	4.4
207.02905	3.6
211.11436	2.9
211.13402	4.2
211.16917	29.6
214.08623	5.4
215.08096	8.2
215.75281	3.2
217.04909	4.1
223.10849	3.8
229.17883	14.6
239.08107	4.2
241.09518	4.5
243.07652	9.6
246.52234	4.7
256.19769	3.0
257.09128	7.1
261.10956	4.2
262.11011	7.1
267.07660	3.5
271.07098	6.7
285.08649	15.9
289.08176	10.9
294.05154	7.4
295.06052	12.2
303.09595	3.8
307.05890	12.6
307.09052	4.2
313.08237	20.9
315.09573	7.8
320.06763	3.6
321.07578	6.9
323.05737	3.6
324.06000	3.8
325.07050	27.5
331.09195	24.1
333.10880	4.9
335.09097	6.4
337.07010	9.3
346.22342	3.8
349.06635	4.6
349.10284	20.6
351.08490	3.5
359.08450	6.5
363.08627	12.2
367.11420	4.9
377.09744	7.0
380.08206	3.7
381.09805	4.9
391.07510	18.3
391.12302	6.3
408.07904	20.8
409.08795	39.0
409.18213	100.0
427.16504	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	408.2225
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73905	0.8
55.01864	3.0
55.05499	4.7
56.04276	1.0
57.03423	2.5
59.04955	0.9
61.02913	3.0
67.05494	11.6
69.03429	5.6
69.07057	7.6
70.06585	2.3
70.38747	1.0
71.04984	1.6
71.45480	2.4
79.05475	7.0
81.03406	1.8
81.07047	41.7
83.04967	2.3
83.08611	6.3
84.86842	1.0
85.02893	16.9
85.06533	3.2
89.21519	0.9
91.03945	1.0
91.05477	10.9
91.06892	1.0
93.07035	5.4
95.08591	6.9
97.02882	6.2
97.06511	2.6
98.71812	0.8
99.04460	1.7
99.08080	3.3
105.07015	20.0
107.08593	8.4
109.02890	1.5
109.06501	3.2
111.92776	0.9
113.06010	1.2
116.99092	1.0
119.08573	17.3
121.10133	16.3
123.08092	2.8
123.11695	23.7
123.82423	0.9
125.09614	1.0
127.03899	2.6
127.07542	3.8
133.10126	2.6
137.09500	0.9
137.13281	1.8
141.09102	1.1
145.04945	3.2
147.11671	69.7
148.11957	1.6
157.10101	1.4
165.12741	45.4
175.11136	1.9
180.08647	3.8
183.13789	16.5
192.32161	0.9
193.12228	5.7
211.13266	9.6
229.14326	100.0
230.14761	2.4
272.20071	1.6
311.54712	0.9
408.22723	1.4
408.27658	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	407.367
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	11.0
65.45959	4.4
67.05513	20.1
69.07067	29.6
70.79285	3.6
70.83416	3.8
70.93470	8.6
70.93811	4.3
77.96164	3.7
79.05478	13.2
81.07047	61.9
83.08606	10.9
87.50469	3.9
88.09290	4.0
91.05447	9.2
93.07031	23.1
95.08605	47.6
103.10397	4.1
104.26416	3.6
105.07013	14.3
105.13058	3.7
107.08595	27.8
109.10154	44.9
119.08584	25.1
119.09291	4.4
121.10114	23.0
123.11700	21.2
131.08525	11.1
133.10110	19.1
135.11650	17.7
137.13232	6.2
143.08531	4.2
145.10127	17.2
147.11696	16.1
149.13242	12.4
157.10146	9.4
159.11716	18.4
161.13202	12.0
162.03185	4.5
163.14777	7.8
167.86319	4.5
171.11710	7.0
173.13266	17.0
175.14812	6.4
177.16405	7.5
187.14804	12.6
189.16376	7.2
201.16356	8.9
213.16382	9.8
215.17911	5.3
229.19533	8.4
255.21283	5.0
269.22635	6.7
271.24075	5.2
272.73169	5.3
281.62701	4.4
283.24033	6.1
297.25781	6.4
351.30371	5.7
407.36707	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.3669
Annotation	4,4'-Diapophytofluene
Peak:m/z	Relative Intensity
55.05502	15.3
57.07067	8.5
59.65267	4.6
67.05499	28.9
69.07058	64.8
70.94814	8.8
70.95178	11.2
79.05479	20.6
81.07044	99.4
83.08603	16.4
89.06033	8.4
91.05501	14.3
93.07041	38.5
95.08593	69.4
97.10167	5.7
105.06995	32.2
107.08591	49.1
109.10152	67.5
117.06946	5.0
119.08570	41.3
121.10149	33.2
123.11703	28.5
131.08571	13.3
133.10100	23.8
135.11678	26.4
137.13255	18.5
145.10126	25.0
147.11664	30.2
149.13240	16.3
157.10126	13.0
159.11676	26.7
161.13217	18.3
163.14792	9.2
169.10141	7.3
171.11649	13.7
173.13316	19.2
175.14853	16.0
177.16356	7.9
183.11794	5.0
185.13234	11.7
187.14848	15.5
189.16377	12.5
199.14780	7.8
201.16388	13.1
203.17952	7.5
211.14783	7.7
213.16350	10.8
215.17946	18.2
217.19507	7.9
227.17989	14.4
229.19540	11.4
241.19531	5.8
243.21188	6.3
257.22610	8.7
269.22427	8.9
297.25909	6.9
311.27972	6.1
325.28964	6.2
407.11707	5.3
407.28162	5.4
407.36658	100.0
408.36987	10.1
424.21616	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	407.29
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.5
55.05506	2.5
56.05022	2.9
57.07071	1.0
65.03919	0.5
66.33042	0.4
67.05498	8.6
69.07057	1.9
71.75527	0.5
79.05482	8.5
81.07046	9.2
83.06094	26.4
83.08614	1.1
84.04495	89.1
85.02888	1.2
85.04828	0.6
91.05467	5.7
93.07032	9.5
95.04941	0.9
95.08594	6.6
97.06503	0.6
97.10139	0.6
101.07128	9.8
102.05511	4.8
105.07030	3.8
107.08587	5.0
109.06505	0.7
109.10157	2.8
111.26620	0.4
117.06993	1.7
119.08576	2.5
121.10137	6.3
123.11707	1.6
129.06586	37.8
130.04987	100.0
131.05327	0.5
131.08557	2.1
131.83083	0.4
133.10118	2.5
135.09189	0.5
135.11667	3.4
145.10042	2.1
147.07629	32.6
147.11687	1.6
148.07925	0.5
149.13202	2.6
159.11621	1.2
161.13315	0.6
163.14792	1.0
173.13177	1.3
177.16422	0.4
187.14766	0.8
191.14325	0.5
243.21069	1.9
261.22131	7.2
301.87595	0.5
327.22964	0.7
344.25919	1.0
389.26901	1.4
390.26328	0.7
407.27487	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2788
Annotation	3-Oxocholic acid
Peak:m/z	Relative Intensity
53.03933	15.0
55.01862	10.6
55.05506	49.3
57.03428	9.7
57.07074	11.3
67.05501	96.7
69.03421	39.8
69.07063	45.4
71.04983	11.7
71.08628	9.7
71.67211	8.7
75.64591	3.9
79.05484	55.7
81.03407	39.3
81.07051	100.0
83.04983	13.9
83.08616	24.3
85.02896	12.8
85.06547	8.1
88.67115	4.0
91.05466	50.8
93.07033	69.3
95.04958	22.8
95.08599	79.6
97.02885	19.7
97.06494	10.2
97.10153	11.9
99.08035	4.7
105.07027	57.1
107.04958	12.7
107.08569	48.2
108.54691	4.0
109.02863	11.2
109.06507	7.7
109.10152	33.0
111.04411	10.1
111.08080	6.7
115.03901	4.5
117.07005	29.2
119.08555	46.5
121.06499	15.5
121.10132	34.4
123.08077	8.9
123.11684	7.2
125.09624	9.0
127.03908	7.5
129.05519	6.1
129.06979	10.9
131.08571	38.3
133.06535	6.9
133.10114	28.1
135.08061	7.7
135.11693	14.7
139.03903	4.1
139.11185	6.2
141.02048	4.8
141.06979	5.2
143.08557	19.3
145.06332	4.9
145.10110	29.7
147.08153	8.3
147.11661	21.0
149.09581	9.5
149.13235	11.3
151.11148	9.1
155.08572	8.4
157.10139	17.7
159.11691	18.1
161.09612	6.7
161.13251	15.5
163.14825	5.8
165.12744	4.9
169.10109	6.7
171.11676	9.7
173.13240	12.7
175.14766	9.9
177.16412	9.2
183.11584	4.5
185.13306	5.1
187.14812	11.2
189.12776	5.3
189.16306	6.1
191.14262	5.7
201.16347	9.9
205.15930	5.7
211.14819	5.9
255.21132	5.7
275.23624	8.0
291.23169	11.0
303.23215	7.6
305.24838	6.3
315.23114	4.9
317.24658	9.1
321.24142	7.3
325.25598	5.6
329.24866	5.8
333.24155	8.8
335.19043	5.4
343.26172	11.4
347.25739	5.4
353.24826	14.7
359.25995	4.9
371.25818	51.6
389.26764	44.7
407.22375	9.0
407.27884	51.8
408.28494	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	407.2789
Annotation	3-Oxocholic acid
Peak:m/z	Relative Intensity
53.03929	7.2
55.01854	12.8
55.05506	44.6
57.03416	6.2
57.07056	13.0
65.03932	3.8
67.05498	97.4
69.03419	33.5
69.07055	39.8
70.71664	9.0
71.01334	3.6
71.04989	9.2
71.08617	9.1
71.56285	3.2
73.02902	3.2
79.05479	56.2
81.03408	37.7
81.07046	100.0
83.04969	16.0
83.08607	22.9
85.02889	13.2
85.06510	7.3
85.10139	4.5
87.04452	4.0
88.43871	2.8
89.05979	2.8
91.05464	65.7
93.07030	72.7
95.04964	26.0
95.08600	70.7
96.95244	2.6
97.02869	10.5
97.06519	10.0
97.10146	11.4
98.98363	3.3
99.04428	5.4
99.08068	9.2
105.07007	60.5
107.04919	13.4
107.08577	39.2
109.02860	8.5
109.06501	8.5
109.10152	28.1
111.04424	15.7
111.08029	3.3
117.07013	29.4
119.08562	43.7
121.06494	12.2
121.10123	33.4
123.04400	8.6
123.08077	4.8
123.11687	11.4
125.09623	4.5
125.44121	3.2
127.03886	9.7
128.06201	4.3
129.05470	5.2
129.06978	12.7
131.08566	35.4
133.06459	7.8
133.10126	24.4
135.08028	9.6
135.11671	14.2
137.05986	4.1
137.09639	5.1
137.13222	8.7
138.62994	3.3
139.11154	3.8
142.07756	3.4
143.08553	16.8
145.06422	7.7
145.10098	23.6
147.08028	6.9
147.11676	22.4
149.05931	4.3
149.13231	11.7
151.11131	5.0
151.14723	3.7
155.08517	4.3
157.10074	9.9
159.08031	3.4
159.11664	13.0
161.09602	5.6
161.13232	13.5
163.11116	7.3
163.14816	8.9
165.12773	6.7
167.10637	4.1
169.10066	6.1
171.11678	8.1
173.11798	3.1
173.13249	11.8
175.11301	3.1
175.14780	10.7
177.12779	6.0
177.16293	4.3
179.14230	4.6
181.10056	3.2
183.11765	3.3
185.13223	9.0
187.11179	3.9
187.14871	8.3
189.12756	3.9
189.16370	4.9
191.14305	3.7
192.12648	2.8
193.15886	3.2
197.13232	3.4
201.16368	12.7
203.14264	4.9
207.13782	4.7
215.17950	6.4
217.15916	4.5
229.15926	5.1
241.15796	4.2
244.13434	3.3
257.22491	4.0
261.22147	4.8
263.23309	3.9
275.23694	11.3
279.23087	3.4
291.23102	8.6
299.23660	3.6
303.23151	11.6
305.24866	6.5
311.23624	4.0
317.24603	10.6
321.24261	3.6
329.24680	9.6
333.24286	8.2
338.65857	3.3
343.26276	11.5
347.25861	7.1
353.24692	13.7
371.25757	50.9
389.26828	40.3
407.28088	60.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2788
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	1.9
53.03933	6.8
53.27291	1.7
55.01867	13.3
55.05503	39.1
57.03421	7.2
57.07063	14.0
65.03931	6.2
67.05494	82.3
69.03417	35.0
69.07059	40.8
71.01338	5.1
71.04979	7.8
71.08623	11.4
71.15295	4.0
75.63555	2.0
77.03899	2.1
79.05482	49.7
81.03410	34.6
81.07046	100.0
83.04980	12.6
83.08608	22.0
85.02895	9.2
85.06544	5.3
85.10173	4.7
87.04459	3.6
89.06010	3.1
91.05464	58.9
93.07027	63.3
95.04952	24.1
95.08591	70.2
97.02888	14.8
97.06516	8.8
97.10149	14.0
98.20850	2.5
98.21439	2.4
98.96650	1.9
99.04448	5.0
99.08073	5.9
103.05450	2.6
105.07018	53.6
107.04928	13.3
107.08577	37.3
109.02873	6.0
109.06496	11.2
109.10136	27.8
111.04432	8.8
111.08083	5.3
113.02318	2.3
113.09625	3.2
115.03868	2.2
115.05431	3.3
117.07005	23.4
118.33594	2.0
119.08566	38.2
121.06525	10.8
121.10123	21.4
123.04398	5.8
123.08038	8.9
123.11694	8.1
125.05967	2.4
125.09651	5.0
127.03912	7.1
128.06174	3.9
129.05467	4.1
129.06985	14.4
131.04956	2.9
131.08549	42.0
131.09459	3.9
133.06474	8.8
133.10118	24.0
135.08044	6.7
135.11684	12.6
137.05933	3.1
137.09622	3.9
137.13264	5.7
139.03883	5.6
139.11169	4.1
141.06934	2.3
142.07846	2.5
143.08536	13.5
144.09210	2.7
145.06523	7.9
145.10106	24.5
147.08043	7.6
147.11658	20.9
149.05942	3.8
149.09570	5.7
149.13249	10.5
151.11176	7.6
155.08565	5.6
157.06561	2.6
157.10056	11.3
158.45979	1.9
159.08012	6.2
159.11696	11.8
161.09590	5.1
161.13223	13.1
161.88567	1.9
163.11183	4.3
163.14807	11.7
165.12781	6.5
165.18703	1.9
167.08571	2.8
169.10133	5.0
171.08038	5.8
171.11696	7.5
173.09619	3.1
173.13184	11.7
175.07510	3.6
175.11086	2.5
175.14810	9.0
177.12701	5.3
177.16451	2.9
179.10684	2.7
179.14301	3.0
183.11627	3.9
185.13200	5.7
187.11142	4.2
187.14772	8.3
189.16414	5.0
191.14259	4.6
193.12190	3.7
193.15735	2.5
195.13774	5.6
197.13243	4.3
199.14839	4.4
201.16389	7.4
203.14296	5.2
205.15863	4.7
207.13860	2.9
211.14845	2.6
213.16348	3.8
215.14214	2.5
215.17924	3.1
217.15912	4.0
219.13728	2.4
219.17354	3.4
221.15405	3.4
223.13100	3.7
229.15865	4.1
231.17497	2.3
233.15425	3.4
247.17024	3.0
255.17194	2.1
255.21074	3.2
257.22516	3.2
259.16821	3.1
261.22079	3.6
263.23563	2.4
273.18420	3.3
273.22116	4.2
275.23654	9.3
285.22122	3.2
287.23633	4.6
291.23257	5.2
293.24701	5.3
303.23151	9.0
305.24713	5.2
315.23184	2.9
317.24799	12.5
321.24103	4.7
325.25140	4.8
329.24667	7.6
331.26651	2.3
333.24182	5.6
343.26324	13.1
345.24319	1.9
347.25760	7.7
353.24643	17.8
361.27274	4.1
371.25781	44.4
372.26031	3.1
389.26819	41.3
390.26926	2.9
407.27829	42.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2786
Annotation	3-Oxocholic acid
Peak:m/z	Relative Intensity
55.05489	15.9
56.05028	4.7
67.05502	30.8
67.43172	3.6
69.07046	18.2
69.31234	4.0
71.04976	5.1
71.08608	4.2
71.25626	11.5
79.05481	30.3
79.71593	4.2
81.07047	41.2
83.06104	24.8
83.08605	6.7
84.04494	83.4
91.05467	32.8
93.07036	27.9
95.08581	28.9
97.10146	7.0
101.07114	8.6
102.05549	5.6
105.07008	42.9
107.04911	4.3
107.08581	13.9
109.10136	10.6
112.92062	5.0
117.06987	13.7
119.08574	31.5
120.57996	4.2
121.06420	6.0
121.10112	13.9
129.06543	38.2
130.04984	100.0
131.08582	22.0
133.10086	11.9
135.08038	3.9
135.11659	9.9
143.08513	12.8
145.10100	17.1
147.07651	36.9
147.11716	6.8
149.13138	4.9
155.08488	5.4
157.10078	9.0
159.11682	9.9
161.13203	4.1
163.34444	3.8
169.10126	6.6
171.11658	5.1
171.83113	4.3
211.14822	4.5
261.22168	6.0
277.86920	4.1
292.72043	4.2
335.23654	7.0
343.26245	7.1
353.24634	17.6
371.25555	25.3
389.26807	58.5
390.26880	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	407.2789
Annotation	3-Oxocholic acid
Peak:m/z	Relative Intensity
53.03938	10.5
55.01860	14.8
55.05506	36.5
57.03423	9.0
57.07055	11.7
64.88957	3.2
65.03923	5.6
67.05500	88.0
69.03426	40.5
69.07063	46.8
71.01366	3.8
71.04980	9.9
71.08608	8.8
71.33323	5.7
71.33675	5.9
74.12801	3.5
79.05480	52.1
81.03414	49.2
81.06597	6.9
81.07048	100.0
83.04975	21.3
83.08620	22.7
85.02903	14.6
85.06541	6.5
91.05475	63.7
93.07034	75.2
95.04964	31.2
95.08602	71.3
97.02888	12.3
97.06525	15.7
97.10162	15.9
98.21067	5.5
99.04426	6.2
99.08047	5.7
105.07011	54.8
107.04935	10.6
107.08585	42.2
109.02870	14.4
109.06525	10.5
109.10173	29.9
111.04423	14.4
111.08061	4.0
113.09639	4.7
115.03960	4.8
115.05430	4.1
117.06991	26.7
119.08556	44.7
121.06498	13.8
121.10139	29.2
123.08036	8.3
123.11695	11.3
125.09646	6.2
127.03936	6.0
129.05522	4.6
129.06981	13.5
131.08563	33.1
133.06506	10.2
133.10107	26.7
135.04361	3.3
135.08090	5.2
135.11679	15.6
136.37314	3.4
137.13251	5.4
142.07782	3.5
143.08559	20.0
145.06450	9.0
145.10081	24.6
147.08015	8.4
147.11662	22.4
149.09639	6.2
149.13255	13.3
151.11157	8.4
151.14760	4.3
153.12764	3.9
155.08542	5.5
157.10126	16.1
159.08092	6.0
159.11693	12.3
161.09659	5.7
161.13150	18.3
163.11218	5.7
163.14804	9.9
165.12717	4.9
167.08521	5.1
169.10138	5.8
171.08037	4.3
171.11678	11.5
173.09613	6.1
173.13272	11.5
175.11131	6.6
175.14828	7.5
177.12759	5.2
179.10648	4.5
181.10059	4.6
183.11708	5.1
185.13332	6.6
187.14821	7.7
189.16426	5.1
191.14287	6.3
195.13791	6.9
201.16400	6.3
205.15842	6.2
211.14870	6.1
217.15892	4.6
221.15427	4.8
233.15414	5.0
245.22755	4.4
257.22525	4.2
261.22162	4.8
273.18695	5.1
273.22079	5.0
275.23642	9.8
287.23682	8.0
291.23178	8.3
293.24664	8.4
303.23117	9.5
305.24673	6.0
317.24792	10.6
321.24142	5.3
325.25388	4.2
329.24628	10.4
333.24115	5.1
335.18909	4.7
343.26291	11.8
346.96072	3.9
347.25607	8.3
353.24744	13.8
371.25806	51.7
372.26089	5.1
389.26831	40.3
390.26431	3.8
407.27942	49.4
408.27789	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2787
Annotation	3-Oxocholic acid
Peak:m/z	Relative Intensity
53.03934	3.7
55.01857	3.8
55.05503	26.0
60.03072	2.4
65.03927	4.4
67.05497	59.4
69.07060	22.8
70.06566	4.0
70.16049	11.9
71.04980	6.4
79.05486	44.7
81.07047	62.2
83.04964	4.3
83.08598	9.6
85.06523	5.1
91.05476	70.5
93.07043	46.1
95.04954	12.5
95.08594	41.7
97.06525	8.3
103.05482	6.2
105.07018	74.4
107.04925	2.7
107.08578	25.1
109.06506	7.0
109.10140	11.6
115.05437	4.0
117.07011	33.9
119.08574	53.5
121.06493	7.8
121.10124	14.7
123.08073	3.2
125.09627	3.4
128.06168	4.8
129.06999	16.4
131.08554	51.4
133.10120	23.1
135.08076	5.5
135.11687	11.0
141.06955	7.4
142.07794	4.0
143.08569	20.3
145.06517	5.0
145.10112	36.3
147.08049	6.3
147.11684	7.4
149.13226	3.4
154.52115	2.6
155.08548	11.0
157.10126	17.0
159.07994	4.3
159.11688	17.6
161.13263	3.8
163.11264	3.4
167.08516	3.2
169.10146	13.7
171.11681	14.3
173.09622	4.0
173.13268	7.7
175.11139	3.3
177.12743	3.6
181.10095	7.8
183.11674	11.7
185.13255	9.2
187.11267	4.5
187.14807	3.6
187.68651	2.6
192.67014	2.5
195.11807	5.0
197.13245	10.5
199.11104	4.0
201.12714	5.2
205.12260	3.0
207.11777	3.2
209.13293	3.9
211.14844	8.9
213.12682	3.4
219.13814	9.2
223.14850	3.0
225.16405	5.3
233.15346	6.3
235.14780	3.3
247.16968	5.0
253.00023	12.4
259.16873	4.1
261.18683	3.0
273.18494	5.8
285.18375	2.7
325.25342	8.8
335.23770	6.2
343.26340	15.3
353.24756	46.5
354.25070	4.7
371.25778	44.8
389.26855	100.0
390.27216	8.3
407.07404	3.5
407.26788	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	407.2419
Annotation	Strophanthidol
Peak:m/z	Relative Intensity
53.03921	3.1
55.01848	7.1
55.05509	19.4
57.03414	3.4
57.07043	2.7
58.06434	1.6
62.84171	1.6
67.05495	25.5
69.03419	5.2
69.07068	14.5
70.06564	2.8
71.04994	4.1
71.73122	3.4
72.08134	2.2
79.05484	22.3
80.91405	1.8
81.03403	8.2
81.07048	30.4
83.01355	1.8
83.04974	4.2
83.08596	7.4
84.08105	1.8
85.02881	5.1
88.72865	1.8
90.56019	1.9
91.05468	25.3
93.07030	19.1
95.01318	6.6
95.04964	11.8
95.08583	16.9
97.06516	3.0
97.10143	2.7
103.05444	2.6
105.07011	18.5
107.04944	5.8
107.08569	14.6
109.02848	3.4
109.06484	9.2
109.10125	4.9
111.04393	3.3
117.06985	9.8
119.04912	1.9
119.08573	11.6
121.06486	5.5
121.10148	9.9
123.04419	4.9
123.08056	4.8
123.11690	3.7
126.06220	1.7
127.03881	2.7
129.06993	6.5
131.04886	2.5
131.08536	14.8
133.06468	6.1
133.10098	6.1
135.04381	5.5
135.08031	4.5
135.11708	4.1
137.05994	3.9
137.09615	1.7
141.06952	3.1
143.08566	8.6
145.06490	5.2
145.10109	7.3
147.04456	2.4
147.08015	2.3
147.11668	5.6
149.05952	4.3
149.09593	5.1
149.13338	2.3
150.12869	1.8
155.08514	4.8
157.10110	7.7
159.08028	4.1
159.11650	3.2
161.05966	2.2
161.09610	2.2
161.13252	2.4
163.07538	4.2
167.08565	2.3
169.10091	5.4
171.08089	2.3
171.11716	2.2
173.06067	2.8
173.09663	3.4
173.13242	3.4
175.07487	2.3
177.09088	3.5
183.11671	3.5
187.07544	2.6
187.11119	2.6
189.09084	4.5
195.11836	2.0
197.13260	2.2
199.11247	1.8
201.09023	2.3
209.13203	2.3
213.16249	1.7
227.14162	1.9
233.15430	1.8
251.16440	10.7
259.13037	2.4
265.17035	1.9
285.01025	2.0
303.15805	2.4
315.15851	4.1
329.21005	2.6
343.22644	7.6
343.26215	2.6
353.20993	8.6
353.24814	2.7
371.22092	100.0
371.25552	4.9
372.22440	5.4
389.22787	22.9
389.27042	7.0
407.23923	21.1
407.28745	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	407.191
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63413	1.6
55.01864	8.2
55.05490	3.2
57.03448	2.1
57.83794	1.6
58.99578	1.8
67.05489	3.8
68.05058	1.6
69.03431	2.2
69.07062	6.0
70.06582	6.6
70.97865	5.1
72.08138	3.8
76.02213	4.5
76.03971	1.6
79.05472	4.8
81.03401	5.9
81.07043	6.4
83.04974	2.2
84.04517	2.3
84.08138	4.5
84.24139	1.6
85.02913	1.6
85.06523	3.7
86.09681	3.1
91.05471	6.2
93.07024	9.9
95.04934	3.4
95.08598	3.9
97.06522	4.1
98.09634	2.3
99.04451	3.3
105.06995	9.3
107.08586	19.0
109.02881	2.7
109.06503	3.7
110.06101	2.2
111.08077	2.2
113.05978	3.6
117.06953	2.3
119.08604	2.3
121.06498	5.9
121.10130	8.4
129.10202	2.2
131.08545	2.3
135.07996	2.3
135.11678	3.9
143.08507	2.1
145.10106	8.4
147.11674	1.9
149.09621	3.4
154.04953	1.8
157.06560	1.7
159.11674	1.7
162.02226	3.2
163.11142	17.6
167.10687	6.7
169.08583	25.4
178.04950	3.3
179.04837	4.1
181.12230	7.6
185.11760	4.0
191.10660	12.7
193.12233	2.7
196.05998	2.8
205.09735	1.9
209.11725	8.1
211.13295	4.7
213.10445	1.8
223.08716	3.0
223.37213	1.8
227.12784	20.9
241.09724	4.7
257.04462	3.8
259.11011	2.3
260.11417	3.8
265.09653	3.6
269.09213	8.0
273.08786	4.0
279.07584	4.9
283.10684	2.3
285.12253	3.1
287.12759	5.3
293.09119	6.6
297.08615	13.7
311.05331	3.1
311.10342	4.4
315.09729	4.7
321.08914	4.0
323.05463	2.6
329.11099	2.2
333.10760	4.6
339.06186	1.6
339.09644	9.2
351.08649	2.5
353.16260	2.0
357.10779	4.8
361.21295	2.4
371.12387	5.9
375.11792	2.9
379.08145	2.2
389.13443	25.6
407.07620	12.7
407.13663	10.8
407.22433	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2401
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05489	1.8
57.07044	0.6
59.04974	0.6
63.64301	0.5
67.05484	1.6
69.03428	0.5
69.07059	1.7
69.51684	0.5
70.45970	1.4
79.05479	1.5
81.07044	2.8
83.04936	0.5
83.08595	2.1
91.05467	2.0
93.07024	2.1
95.08604	1.7
97.06501	0.7
97.10169	0.7
105.07027	2.2
107.04932	0.5
107.08583	1.4
108.71321	0.6
111.08013	0.6
117.07010	1.1
119.08609	1.2
121.10089	1.1
131.08582	1.0
133.10123	0.8
137.63547	0.5
143.08589	0.8
145.10081	1.1
157.10101	0.7
159.11649	0.7
161.73857	0.5
173.27211	0.5
181.48143	0.5
184.04518	0.7
189.09126	0.5
203.14522	0.5
226.57806	0.5
251.16316	1.0
257.31332	0.5
371.25827	0.6
380.24417	0.7
389.22406	0.7
389.27121	0.8
407.23990	100.0
408.24173	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	407.1908
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.1
55.01862	16.8
55.05492	7.8
56.05027	2.4
57.03429	4.8
65.03919	3.7
67.05485	10.9
67.25488	2.5
69.03419	6.7
69.07066	15.0
70.06573	14.5
70.10263	15.7
71.04993	6.8
72.08131	13.1
76.02203	3.2
79.05476	17.2
81.03410	19.0
81.07040	17.5
83.04961	3.9
83.06099	16.4
83.08606	3.4
84.04491	29.1
84.08108	9.0
85.06528	11.5
86.09702	29.0
91.05466	14.4
93.07040	36.2
95.04954	9.1
95.08591	9.7
97.06537	11.5
99.04438	10.0
101.07114	3.9
105.07023	27.3
107.04958	6.5
107.08583	48.3
108.96445	2.5
109.02854	7.4
109.06512	12.9
110.05978	2.9
111.08036	5.2
113.05994	6.4
117.07009	4.3
117.41864	3.0
119.04956	3.0
119.08599	12.9
120.04424	3.3
120.08099	33.8
121.06444	14.7
121.10131	31.8
123.08071	7.9
127.03921	4.6
129.06610	9.3
129.10251	3.1
130.08696	2.6
131.08546	3.9
135.04379	3.7
135.08032	7.9
135.11662	10.6
137.02299	4.6
138.05510	3.3
139.11082	2.9
145.02896	5.2
145.10124	24.5
147.11661	5.1
149.09587	9.6
151.07501	7.4
161.02223	3.0
162.02180	3.0
162.05630	3.3
163.11148	55.4
166.08586	18.2
167.10641	19.2
169.08586	55.5
171.11693	3.0
173.09601	5.1
175.03897	4.1
178.05013	5.5
179.04819	4.4
181.12238	25.4
185.11647	14.7
188.03436	7.6
191.10629	42.7
193.12294	3.3
196.06003	4.8
196.14392	15.3
197.12869	9.5
199.02182	2.5
199.14812	3.0
203.28976	2.8
206.04504	5.1
209.11708	28.3
213.10216	4.9
214.15450	8.8
222.57945	2.5
223.08507	5.3
224.13849	6.2
225.10150	4.3
227.08287	13.3
227.12753	62.8
228.10335	5.9
237.10286	16.5
239.11754	4.8
241.09669	14.2
242.15027	4.2
251.08110	12.4
253.09807	3.0
255.07581	8.2
255.11244	3.6
260.11322	4.6
265.09702	27.1
266.07968	4.7
267.11240	5.9
269.09167	36.8
269.11737	4.6
270.09671	4.3
272.07135	3.0
273.08658	10.8
279.07715	15.1
281.09323	3.3
283.10699	15.4
284.09000	4.9
287.12967	5.9
293.09232	32.8
295.10760	9.7
297.08633	45.2
298.09076	3.9
311.10306	22.6
313.11865	7.0
315.09558	24.6
315.12708	3.6
321.08551	9.9
323.05466	22.9
329.11420	13.6
333.10590	16.7
339.09760	44.6
343.12851	9.6
347.12582	4.5
349.06638	2.8
353.15897	6.2
357.10742	34.6
358.09256	4.0
371.12411	17.7
371.16516	3.8
375.11880	10.1
379.08017	4.2
389.13385	100.0
389.21573	5.7
390.13068	6.5
407.07779	33.1
407.13254	5.9
408.07794	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	407.1524
Annotation	Pamapimod
Peak:m/z	Relative Intensity
66.81866	0.4
69.03403	0.6
69.38567	4.1
70.06586	2.7
71.75748	0.4
72.08138	0.6
73.02926	0.4
74.06068	0.7
81.03410	0.4
84.04517	0.5
84.08137	1.5
85.02900	1.7
86.09678	1.8
91.05490	0.7
91.12238	0.4
97.02898	0.5
98.06023	1.2
107.04929	0.4
108.41382	0.4
109.02916	0.4
116.07079	1.4
119.01897	0.7
126.05542	0.6
129.10249	0.4
130.06514	0.8
132.04410	0.5
137.05960	0.7
145.03493	0.7
147.04398	0.6
157.07619	0.6
158.05983	0.4
163.82521	0.4
164.73589	0.5
165.05405	0.7
173.03030	0.6
178.05037	0.7
206.04512	1.6
213.12364	0.6
221.05035	0.6
245.05022	2.0
245.09721	0.5
263.06192	0.4
271.13861	0.4
283.68082	0.4
287.93561	0.4
308.15378	0.4
401.26855	0.4
407.15231	100.0
408.10831	0.7
408.15613	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	407.1443
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62016	1.8
55.01860	7.2
55.05498	4.8
57.03418	3.6
67.05486	6.3
68.99792	3.0
69.03409	5.2
69.07059	7.2
69.52766	9.9
69.53196	9.0
70.06576	10.5
71.04974	3.7
72.08154	9.9
76.02210	4.3
79.05470	8.2
81.03406	10.9
81.07037	8.8
83.04948	2.8
83.08604	2.0
84.04483	4.5
84.08130	9.0
85.02899	4.9
85.06544	6.5
85.59383	1.5
86.09693	8.4
91.05455	5.4
93.07030	15.5
94.06551	2.2
95.04953	7.5
95.08575	10.6
97.06502	7.1
99.04443	4.8
105.07005	11.7
107.04944	3.2
107.08575	25.8
108.04482	2.6
109.02845	5.5
109.06492	5.7
110.07130	2.4
111.08093	2.6
113.06002	3.8
116.01612	2.0
117.06952	2.8
119.04925	2.3
119.08549	5.5
120.04449	4.5
120.08079	5.2
121.02868	3.6
121.06492	8.2
121.10168	13.8
123.08046	3.6
129.10170	2.7
131.08572	3.3
135.04381	3.6
135.11681	4.1
137.02315	10.7
137.03284	2.1
138.05469	6.4
144.01237	2.5
145.02879	2.1
145.10110	8.4
146.06018	2.2
147.11642	2.7
149.09634	4.7
151.07544	5.5
154.05040	2.0
161.02345	2.2
162.02182	3.7
163.11163	28.3
166.08742	2.5
167.07100	1.9
167.10631	9.8
169.08591	38.8
175.03838	2.3
178.04950	7.0
179.04884	4.0
181.12166	11.8
185.11725	5.0
188.03453	12.5
189.01793	3.9
191.10605	12.4
195.02899	2.9
196.06073	5.5
199.08574	3.0
206.04445	4.3
207.02934	2.5
209.11803	11.1
211.08652	3.5
211.13312	3.6
212.09358	2.5
213.10172	3.1
217.04909	3.7
223.08580	5.6
224.07115	3.6
224.19478	2.0
225.10121	3.6
227.03453	2.8
227.08112	18.5
227.12761	29.4
237.10208	14.4
238.08592	3.3
238.10922	3.2
239.08037	2.6
239.11749	4.7
241.09697	18.8
243.11258	3.9
245.04578	2.0
245.09158	6.7
251.08136	15.8
253.09914	3.4
255.07674	9.9
255.11319	5.4
257.04309	2.8
259.10925	4.9
260.11343	3.8
265.09714	26.2
266.07962	3.7
266.10504	4.5
267.11218	5.0
268.09641	3.3
269.09167	41.5
269.11984	2.7
271.10760	2.6
273.08640	15.1
279.07593	24.6
280.08417	3.7
283.10721	12.1
284.09125	7.6
287.05463	2.3
287.10104	4.2
287.13071	4.6
293.09189	37.0
294.09668	2.3
295.10834	4.9
297.08688	57.2
297.12000	2.5
298.08890	2.8
311.05487	8.2
311.10217	19.8
312.08606	2.5
313.11795	8.0
314.09995	2.9
315.09653	27.0
315.12805	1.8
316.10245	2.2
321.08557	11.3
322.08569	3.6
323.05496	20.9
323.09094	3.6
324.06097	2.2
325.07095	2.6
325.11819	6.2
329.11389	13.2
329.15256	2.1
333.07346	3.9
333.10736	22.1
335.05591	2.3
336.06213	4.1
339.09674	45.4
340.09976	3.1
343.12875	9.5
347.12363	4.8
349.07135	6.1
350.07840	2.9
351.08655	6.7
353.11301	2.1
353.15817	2.4
357.10779	25.1
358.09271	3.2
361.06982	3.4
371.12350	18.3
371.16428	3.1
375.11963	7.8
378.07129	2.4
379.08115	12.4
389.13358	100.0
390.13083	7.1
407.07581	72.7
407.13080	4.3
407.21753	3.0
408.08008	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	406.3523
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	1.5
57.07076	5.8
58.06584	1.3
67.05470	0.7
68.05829	0.4
69.07040	0.6
70.06586	23.0
71.08614	2.4
71.26888	0.9
71.27232	0.6
72.08132	2.3
72.68414	0.4
79.16473	0.4
81.07043	1.3
83.08607	0.7
84.08123	3.4
85.10164	1.0
86.09689	3.4
88.07621	9.6
89.06018	2.0
91.05473	1.1
93.06998	0.6
102.09169	5.7
105.07006	0.5
111.99205	0.4
114.09140	2.2
117.07053	0.6
119.08568	0.8
131.08563	1.2
132.08855	0.5
132.09187	0.5
132.10196	6.0
146.11754	5.7
176.12831	1.3
190.14331	1.2
191.18068	0.4
212.23712	2.4
217.69836	0.5
238.25304	2.0
239.18077	0.6
256.26334	20.1
257.26639	1.0
280.13806	0.5
300.28955	27.3
301.29364	1.2
344.31552	11.9
345.32104	0.5
352.23593	0.7
388.34232	2.1
406.35245	100.0
407.35645	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.0303
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84490	0.7
58.99858	5.4
70.05734	0.7
70.93163	1.1
70.93501	1.5
72.59394	0.7
77.00904	2.2
82.22234	0.9
85.01407	1.7
87.06232	0.6
94.44208	0.6
96.42498	0.7
99.02955	1.6
101.00862	4.6
103.02435	5.7
109.01355	1.5
116.07090	1.1
117.03984	30.2
119.01902	30.0
120.02060	1.0
121.03455	1.5
122.18867	0.7
127.02383	10.0
129.03937	0.8
135.05020	21.5
136.05144	1.0
137.02936	11.2
142.03471	0.9
143.01878	4.2
145.03447	100.0
146.03563	3.2
147.01376	2.7
147.04939	0.7
150.04007	1.0
157.07098	5.5
159.05017	9.2
161.02945	4.7
161.06528	1.4
163.04504	31.4
165.02379	1.9
167.05460	1.0
168.05035	2.5
169.03436	2.2
169.07112	1.4
171.01324	6.2
171.04953	5.0
172.99292	1.0
175.08138	7.0
177.06059	2.4
182.06500	0.7
183.05077	3.6
185.03036	1.1
185.06569	23.0
186.06573	1.0
187.04538	7.8
187.08105	1.6
189.02437	13.4
189.06059	2.3
191.00238	0.8
193.03467	1.3
195.05011	18.7
197.02951	1.2
201.06070	10.9
203.07658	4.4
205.05559	2.5
207.03525	5.3
207.07132	1.3
211.04488	10.2
212.03979	1.3
213.02505	3.1
213.06049	36.4
214.06322	1.8
215.04005	6.3
221.02823	1.9
227.03943	4.8
229.05544	10.3
231.03490	2.8
231.07193	2.1
233.01486	1.6
236.07730	2.3
237.02515	2.0
239.03981	15.4
240.04108	0.8
241.01965	2.9
245.04924	1.0
247.06616	2.7
251.02455	2.3
255.03400	3.6
257.05020	21.1
258.05301	0.9
259.02991	3.1
265.01971	1.6
273.04565	1.5
275.02579	0.9
275.06000	2.2
283.03015	6.7
291.05664	2.0
301.00754	1.3
301.04004	10.9
302.03983	0.7
303.01956	3.9
319.05017	1.7
327.02017	3.8
345.02954	2.7
371.00967	6.4
389.01944	7.1
407.03033	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	406.2434
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.8
55.01852	1.3
55.05507	25.7
57.03425	1.4
59.04996	1.7
67.05495	5.6
69.03416	7.0
69.07057	3.9
70.06582	5.6
70.91511	3.8
71.04967	2.5
72.08140	1.7
76.02229	1.9
79.05492	4.0
81.03406	1.8
81.07049	8.6
83.04975	24.5
83.08614	23.3
84.04500	4.4
84.08138	2.8
85.02897	5.0
85.06553	1.5
86.00629	1.4
86.09682	2.8
88.07651	1.2
91.05476	3.9
93.07040	5.8
95.04942	4.5
95.06081	2.0
95.08588	4.6
97.06511	4.5
97.10166	4.3
98.09668	1.2
102.05506	1.4
105.06990	7.0
107.08582	10.6
109.02877	2.6
109.06519	4.2
109.10143	12.8
111.08080	5.3
116.01659	1.4
117.07000	1.3
119.08552	2.0
121.06438	1.6
121.10167	6.6
123.11691	5.9
125.09600	5.0
130.04961	1.7
131.08563	2.6
133.10130	6.4
135.08038	2.9
135.11710	1.4
137.02287	1.5
145.05006	1.5
145.10103	2.1
149.13234	3.5
151.11169	34.0
153.09105	1.9
159.07967	1.5
161.09648	1.9
162.02231	1.6
163.11285	1.4
167.14299	37.2
168.14662	1.5
171.80621	1.1
173.13228	2.3
191.14282	3.1
203.03432	1.5
209.15359	100.0
210.15712	3.1
211.14333	1.4
212.09009	1.5
217.04849	1.2
227.16473	1.5
228.49527	1.2
237.07986	1.6
254.10092	1.6
255.08795	1.4
255.11186	1.3
259.11118	7.1
287.12866	1.5
300.10468	1.8
304.75555	1.3
309.07745	2.0
310.08798	1.8
316.95584	1.2
323.05649	2.4
328.10034	3.6
340.07941	1.5
343.70410	1.4
346.11057	3.4
361.06833	2.4
370.08615	1.8
374.10602	3.7
375.11700	1.6
379.08054	3.0
389.10049	6.2
406.13852	1.6
406.30841	2.2
407.07126	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	406.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
55.58865	0.7
62.35235	0.8
63.02028	0.9
69.30653	0.9
70.06574	0.9
84.08131	1.6
86.06059	3.0
86.09699	100.0
87.09993	1.0
89.41622	0.7
103.05484	1.0
110.07137	1.1
111.07849	0.8
114.05541	0.9
120.08094	60.3
121.06515	2.6
121.08418	1.0
131.04953	1.1
161.15720	0.7
163.07501	1.2
173.53564	0.8
180.10181	41.3
207.74922	0.8
227.13908	4.4
293.18686	7.4
293.66245	0.9
379.61755	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.2431
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01609	0.8
53.03944	1.0
55.01863	2.7
55.05508	0.8
57.03420	1.7
61.02925	1.1
67.05496	1.9
68.88311	0.8
68.99789	0.9
69.03420	2.0
69.07056	2.0
69.50814	6.0
70.06579	2.4
71.04981	2.5
76.02232	1.3
79.05481	2.2
81.03418	2.3
81.07056	4.1
83.08606	1.3
84.04520	1.3
84.08122	1.2
85.02902	5.6
85.06548	1.1
86.09679	2.0
89.06033	1.2
91.05483	3.2
93.07033	2.6
95.06039	1.3
95.08614	3.2
97.02876	1.6
97.06522	1.3
103.05485	1.2
105.07012	4.3
107.04924	1.0
107.08571	8.2
109.02882	1.3
109.10157	6.6
111.08134	1.5
115.05465	1.2
116.01673	1.6
117.06972	0.7
119.04933	1.2
119.08579	2.1
121.02872	1.9
121.06513	2.7
121.10135	36.0
123.04395	0.8
123.08064	1.5
123.11710	2.7
123.50153	1.0
125.09630	1.3
127.03909	1.2
131.04926	1.9
131.08580	1.6
133.10147	4.2
135.04391	3.9
135.08063	2.4
135.11670	1.3
137.02318	13.1
137.09596	3.5
138.32559	0.8
139.11148	2.9
143.04901	1.0
145.05017	1.3
145.10107	1.2
146.74045	0.8
147.04456	1.0
147.11687	3.1
149.05960	1.1
149.09613	1.7
149.13217	4.2
151.11151	5.9
151.83421	0.9
153.09030	1.2
156.71217	0.7
159.04381	2.7
161.02338	5.2
161.05914	0.9
162.32491	0.9
163.14824	3.8
169.12212	2.2
171.04442	1.6
173.13216	7.0
177.01898	0.9
187.03970	2.5
189.01849	5.0
189.05498	1.7
191.03326	0.9
191.14290	21.8
195.02872	1.8
199.03908	3.4
201.12280	1.1
203.03397	4.0
207.02890	1.8
209.15349	12.6
211.03900	0.8
213.01697	1.0
216.04047	1.0
217.04980	6.3
221.04405	1.3
227.03424	2.5
227.16408	55.6
228.16750	1.3
235.05998	0.9
245.04474	3.5
259.11017	3.8
273.04010	2.2
293.08112	0.9
296.06662	0.8
307.05951	1.5
308.06802	1.6
309.07602	1.9
310.04684	2.7
311.05450	3.0
321.07605	1.9
322.08234	2.8
323.05536	12.6
323.09003	1.6
324.06131	1.2
325.07037	0.8
331.12866	1.0
333.07599	1.9
334.08401	1.1
335.05341	3.3
336.06216	4.2
337.07043	10.9
345.07547	3.3
347.05612	1.4
349.07047	6.2
350.07800	4.9
351.08566	13.5
353.06497	3.6
361.07043	13.4
362.28131	1.5
365.06531	5.3
378.07114	1.8
379.08105	20.9
389.06561	10.1
389.11566	0.9
389.13458	0.9
406.10275	1.1
406.18100	0.9
406.30734	1.0
407.07587	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.207
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	12.6
55.05512	6.0
57.56639	4.3
61.02919	8.4
67.05490	14.5
69.03406	5.9
69.07070	8.7
69.98633	9.4
69.99024	20.1
70.06574	15.8
71.04974	5.7
72.08147	4.4
79.05491	12.3
81.03407	33.7
81.07043	20.1
83.04986	5.0
83.08622	5.3
84.08120	8.1
91.05464	17.6
91.14131	3.6
93.07028	12.3
95.04951	16.0
95.08603	13.0
98.20838	5.9
103.05438	4.7
105.07037	8.9
107.04950	11.7
107.08546	5.9
109.06494	5.2
115.32753	4.1
117.06941	4.2
119.04891	5.3
119.08569	6.9
121.06482	18.3
121.10155	4.5
125.02358	4.7
131.04947	7.5
131.08554	6.5
133.10089	7.3
135.04494	4.1
135.08084	4.3
137.05968	10.4
145.06496	6.7
145.10054	6.9
147.08026	5.1
157.06561	5.2
157.10201	4.6
159.11591	7.0
161.13264	6.0
163.03967	4.6
163.07579	4.1
171.11681	9.7
177.12764	7.6
189.12820	5.3
207.13777	37.7
215.14296	5.7
261.14792	19.1
289.14301	34.6
293.15097	4.1
307.15363	68.4
311.36227	4.4
325.16394	46.9
335.14868	100.0
353.15973	34.2
371.16943	13.7
416.85168	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	406.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	2.1
55.01873	20.5
55.05503	6.6
57.03447	2.3
61.02914	12.2
62.51102	1.6
65.41875	1.7
67.05493	12.9
69.03423	3.9
69.07054	8.6
70.06572	2.7
70.31785	8.7
71.04977	1.9
72.08124	2.5
73.02901	5.6
79.05477	16.3
81.03405	29.7
81.07042	25.7
83.04967	4.4
83.08608	3.3
84.08154	2.4
85.02894	4.8
85.06535	2.3
91.03947	5.3
91.05463	16.5
93.07036	18.2
95.01283	3.3
95.04953	16.8
95.08597	13.0
97.02882	2.8
97.06556	4.1
98.20741	2.2
105.07017	12.3
107.04919	13.0
107.08592	7.8
109.02850	2.8
109.06514	7.3
109.10153	5.4
111.04423	2.2
115.05498	2.0
116.01768	2.1
117.06999	8.5
119.04891	2.7
119.08575	13.0
121.02860	3.0
121.06483	19.3
121.10136	6.9
123.04419	5.1
123.08053	4.3
125.02360	5.1
128.06235	1.7
129.07007	6.4
131.04910	3.8
131.08556	9.4
133.06496	5.2
133.10104	10.6
135.04417	4.6
135.08076	8.7
135.11676	6.5
136.08798	1.7
137.05952	3.2
139.03874	2.2
143.08524	4.6
145.06528	3.0
145.10089	7.5
147.04381	6.9
147.08023	5.9
147.11667	5.1
149.05959	5.3
149.09593	4.8
149.13255	5.7
151.03851	1.9
151.11215	2.0
155.08600	2.1
157.10010	2.5
159.11623	10.3
161.09579	3.4
161.13211	4.6
163.03845	6.1
163.07516	2.4
163.11182	2.2
169.10097	1.9
171.11629	9.1
173.13254	4.1
177.12730	21.7
179.14305	3.3
187.11171	4.6
189.12772	6.6
191.14294	2.3
193.12297	2.6
197.13307	2.6
201.12759	3.4
205.12186	6.6
207.13757	46.6
215.14296	4.6
219.13785	4.0
223.13179	2.2
225.12782	3.2
225.14720	12.4
233.15350	6.1
243.13771	7.0
245.15314	2.4
247.13190	2.1
259.11069	2.3
261.14865	23.2
265.14401	3.1
269.13757	5.1
271.13348	3.2
271.26822	1.9
279.15942	3.2
289.14310	50.2
290.14746	2.8
291.15921	4.6
307.15347	100.0
308.15625	5.5
309.17163	1.8
317.13889	6.8
325.16409	48.1
326.16663	3.0
335.14825	45.1
336.15469	2.4
353.15906	88.6
354.16162	3.8
371.17001	19.7
388.19724	2.0
395.03296	1.9
406.25952	5.4
414.45151	2.0
421.48227	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.1888
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	5.7
55.01861	4.6
55.05496	9.6
56.05019	9.5
57.03422	8.3
58.56998	2.1
58.99583	15.2
59.00064	2.0
60.04504	2.8
67.05489	11.9
69.03415	6.0
69.07053	6.2
70.06586	22.0
71.04981	2.8
71.72932	2.5
72.08143	9.4
75.48022	2.0
76.02210	31.4
76.03985	3.7
79.05475	16.9
80.05006	4.2
81.03407	100.0
81.07051	28.4
81.07499	3.9
82.06600	2.4
83.04964	4.9
83.08614	26.4
83.68871	2.4
84.04494	29.8
84.08129	23.6
85.01122	4.7
85.02886	6.0
85.06538	2.1
86.00645	5.9
86.06065	5.7
86.09680	8.4
86.99046	9.9
87.02690	7.4
87.04440	2.7
88.02196	2.8
91.05460	21.0
93.07024	9.9
94.06532	2.3
95.04956	28.8
95.08595	6.3
97.01096	3.9
97.02888	5.2
97.06486	4.7
97.10155	3.8
98.09681	12.8
99.05550	3.0
99.08080	7.1
102.05534	6.7
105.00099	3.2
105.07017	13.9
107.04958	8.4
107.08571	6.2
109.06461	3.9
110.06105	2.2
110.07150	5.3
110.09657	4.8
111.08102	12.7
112.03971	4.1
113.04204	5.2
116.01682	21.1
116.10677	2.3
116.50648	2.1
117.06963	2.1
119.05035	2.6
119.08566	11.2
120.08102	14.0
121.10130	14.7
122.02704	36.0
123.08083	2.6
125.09525	2.7
129.06952	9.4
129.10222	12.8
130.05008	9.7
130.06792	5.3
131.08553	7.3
131.37895	2.0
133.06499	3.6
133.10092	6.1
136.07570	5.3
137.09514	2.8
139.05763	3.4
142.03146	3.0
142.07764	2.8
144.01117	6.4
145.10123	2.3
147.07928	3.7
147.11670	10.2
148.07497	2.4
149.09644	5.3
153.06677	2.2
156.08409	21.1
156.10191	10.5
157.06804	9.3
157.10118	11.1
162.02214	22.5
174.09470	15.7
175.11177	15.0
179.04860	12.2
191.14224	2.9
193.12219	92.9
196.23154	2.0
209.15305	3.9
211.13254	8.8
213.06726	2.3
216.06851	7.1
226.14313	2.6
227.08141	4.0
233.05925	3.3
237.10355	2.7
241.09641	3.5
244.09744	3.3
255.11084	2.3
259.11096	97.1
260.11664	2.8
267.15884	53.5
268.13538	3.8
268.16296	2.9
269.09338	2.7
283.10922	3.1
285.16980	29.1
297.08508	3.4
299.10248	3.1
313.12177	3.8
314.14185	3.1
315.09717	4.0
317.10965	2.7
331.13141	7.4
339.09891	2.7
343.13101	3.2
345.10721	3.3
348.69336	2.1
357.10828	2.7
388.17700	8.3
388.22806	5.1
389.13388	28.3
406.09561	8.2
406.15933	4.7
406.20944	6.1
406.28357	2.9
407.07816	7.4
407.14429	17.8
407.18988	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	406.2067
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	4.6
56.05027	6.9
57.03442	8.1
57.07058	5.6
58.99576	7.2
60.04520	7.2
62.04942	2.9
67.05485	9.9
68.05048	2.8
69.03400	6.4
69.07050	13.1
69.77419	22.6
70.06581	41.8
71.04984	9.5
72.08144	12.4
74.06094	3.1
76.02211	13.3
78.30891	2.8
79.05481	14.2
79.67599	3.2
81.03419	7.4
81.07035	20.9
83.04981	7.0
84.04493	32.2
84.08131	26.6
85.02885	18.0
85.06532	67.7
86.06036	5.7
86.06911	3.6
86.09708	33.5
88.03931	3.5
91.05474	15.1
91.15800	2.9
93.07022	16.8
95.04951	5.2
97.02882	5.5
97.06535	7.6
98.09693	8.1
99.04362	3.4
99.08066	6.5
102.05560	7.4
105.07010	10.9
107.04916	7.5
107.08556	9.9
109.02885	7.8
110.07153	13.4
111.04445	8.3
113.04202	3.2
116.01678	18.7
116.07132	3.8
116.10701	4.2
119.04922	4.5
119.08588	9.8
120.08096	23.5
121.06522	8.5
121.10172	14.6
125.05991	5.7
127.03897	3.6
129.06895	3.8
129.10225	13.7
130.04988	4.3
130.06827	3.6
130.08536	3.4
131.08546	39.8
136.07567	10.3
137.05960	3.4
137.09579	8.6
144.01131	5.2
145.04959	3.9
145.10121	15.9
147.08029	4.1
149.09595	37.1
156.08376	10.4
156.10181	3.9
157.06799	4.8
162.02182	13.4
162.09962	5.9
163.07571	3.9
163.11156	14.6
165.09137	10.4
166.09509	3.3
167.03462	3.0
167.10666	23.1
174.09485	12.1
177.10228	8.0
179.04872	3.3
191.10672	44.0
209.09921	2.6
209.11726	59.1
227.12749	100.0
229.58632	3.3
259.11102	63.2
313.12015	4.5
406.20673	11.3
407.07449	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	406.1638
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	3.2
55.05502	2.7
56.05027	8.6
57.03434	6.3
58.99292	1.2
58.99575	13.2
61.01150	0.8
67.05508	0.9
68.05029	1.6
69.07058	1.5
69.65553	6.1
73.01128	2.2
74.00649	2.5
76.02219	28.2
76.03998	2.5
79.05476	4.5
80.05009	1.0
80.52879	0.7
81.07043	23.6
83.06107	2.6
84.04494	32.1
84.08158	1.1
85.01124	4.5
86.00648	5.3
86.99043	9.1
87.02682	8.0
87.49536	0.7
88.02214	2.9
94.06573	0.8
95.08607	4.2
96.08120	1.3
97.01142	1.3
97.06504	2.5
98.09676	17.9
99.08078	7.4
102.05532	6.8
105.07031	1.1
110.09684	2.1
112.03961	6.6
112.73641	0.8
113.04225	9.5
114.03742	1.8
115.05766	1.6
116.01665	30.6
122.09683	1.8
123.08059	1.4
123.10434	1.0
127.05753	2.0
129.06531	4.9
129.07420	1.4
130.05003	11.1
130.06886	6.2
130.08618	1.8
139.05737	2.8
142.03157	3.9
143.02675	1.6
144.01131	12.7
156.08420	24.8
156.10190	15.2
157.06818	13.2
162.02187	30.3
170.02776	0.9
174.09465	15.5
179.04826	10.2
187.05348	1.9
188.03767	1.2
189.03229	1.6
191.75284	0.7
204.94536	0.9
210.11220	2.8
213.10539	1.2
215.04874	1.5
216.06889	7.1
233.05901	3.1
242.08443	2.2
245.05753	1.1
259.11096	100.0
260.11411	3.2
277.12006	0.9
285.12732	1.3
313.12173	3.3
331.13113	6.4
388.15161	1.2
406.16284	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	406.1639
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	4.3
55.05499	3.6
56.04799	0.8
56.05033	11.0
57.03434	7.5
57.98769	1.0
58.89087	0.9
58.99304	1.1
58.99580	16.5
61.01136	1.2
61.71362	0.8
66.48861	0.9
67.05505	1.1
68.05000	2.6
69.07062	1.4
70.02953	1.5
70.06565	1.0
71.17359	1.5
71.17684	1.2
73.01128	2.9
74.00642	3.0
76.01795	1.8
76.02224	31.3
76.03989	3.3
79.05495	7.1
80.05012	1.3
81.07053	28.6
82.80076	0.9
83.06091	1.9
84.04495	39.6
85.01128	6.8
86.00640	7.5
86.99048	10.9
87.02679	11.3
87.99331	0.8
88.02200	3.4
90.81305	0.7
94.06542	1.8
95.08609	5.8
96.08126	0.9
97.01113	1.6
97.06529	2.0
97.08884	1.0
98.09682	18.5
99.05546	1.3
99.08077	6.7
102.05537	7.0
105.00105	1.1
105.07017	2.2
106.69326	0.8
110.09662	3.7
112.03957	5.1
113.04218	8.4
114.03762	1.3
114.05454	1.2
115.05801	1.9
116.01665	34.6
116.56553	0.8
122.09648	2.5
123.08056	2.2
127.05773	1.6
129.06558	4.4
130.05006	10.6
130.06848	6.3
130.08650	2.0
132.01010	0.8
139.05760	3.4
142.03151	2.5
143.02690	2.3
144.01143	9.5
145.05989	1.7
156.08411	28.1
156.10182	14.3
157.06804	10.7
162.02196	25.9
169.30688	0.9
170.02689	1.1
170.04935	0.8
174.02147	1.1
174.09494	14.4
179.04878	8.0
184.07938	1.3
187.05394	1.0
189.03316	2.0
196.78387	1.0
208.63472	0.9
210.11197	3.1
215.04832	1.1
216.06859	6.8
233.05936	1.5
242.08366	1.1
245.05789	1.0
256.50375	0.9
259.11105	100.0
260.11371	2.7
285.12842	2.0
313.12024	3.5
331.13147	6.3
388.15176	1.1
406.16406	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.164
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61405	0.5
55.01857	2.4
55.05498	2.1
55.99839	0.6
56.04792	0.6
56.05032	7.4
57.03433	4.5
58.99581	9.5
60.04508	1.7
61.01147	1.0
68.05018	1.4
69.07045	0.9
70.02951	0.9
70.06586	5.1
71.15050	1.1
71.15405	0.5
72.08142	2.3
73.01118	0.8
74.00637	1.7
76.02222	17.0
76.03982	1.8
79.05486	3.9
80.96718	0.6
81.03373	0.7
81.07047	15.8
83.06086	1.9
84.04497	25.0
84.08139	2.6
85.01137	3.5
85.02880	0.6
85.08479	0.8
86.00643	4.2
86.09698	3.8
86.99040	5.9
87.02674	4.9
88.02194	2.3
88.03979	0.9
91.05495	0.7
93.05772	0.7
93.07016	1.5
94.06604	0.7
95.08583	2.5
96.08086	0.8
96.36667	0.5
97.01107	1.1
97.06506	1.7
98.09684	12.4
99.08101	3.9
102.05537	4.0
105.07041	1.5
110.07134	1.6
110.09648	2.6
111.02726	0.6
111.08072	0.7
112.03968	3.4
113.04219	7.0
114.03767	0.6
114.05545	0.6
115.05795	1.5
116.01669	20.1
116.07020	0.7
120.08073	1.0
122.09640	1.5
123.04417	0.7
123.08020	0.9
123.10432	0.7
127.05801	1.7
129.06590	3.4
129.07391	0.8
129.10211	1.4
130.05005	5.5
130.06862	3.9
130.08618	1.3
136.07574	0.6
139.05751	1.6
142.03183	2.1
143.02763	0.9
144.01141	6.8
145.05988	1.2
156.08411	19.7
156.10176	10.2
157.05917	0.6
157.06844	6.5
162.02194	20.5
162.03545	1.2
163.07564	1.2
165.88565	0.6
167.07036	1.3
170.02661	0.9
174.09476	12.6
179.04828	8.0
181.67329	0.6
188.03699	0.9
189.03320	1.5
210.11238	2.2
215.04880	1.0
216.06873	4.4
218.36667	0.5
218.39436	0.6
227.09157	1.1
233.05914	2.1
242.08403	1.2
245.05952	1.3
259.11108	100.0
260.09100	0.6
260.11465	2.3
267.67627	0.6
285.12708	1.8
308.08887	1.0
313.12088	3.8
331.13165	5.7
376.49957	0.6
388.15497	0.6
389.14035	0.6
406.16278	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	405.3724
Annotation	5alpha-Cholestan-5alpha,6beta-diol
Peak:m/z	Relative Intensity
55.05496	9.0
57.03408	1.5
57.07070	11.6
67.05481	2.9
67.26324	1.4
69.07059	10.8
70.78535	4.7
71.08634	7.1
75.48020	1.2
81.07037	2.7
83.01334	10.3
83.08621	7.0
83.09032	1.5
85.10170	2.9
93.07037	5.5
95.08592	3.5
97.06522	4.1
97.10192	3.7
98.21331	1.7
107.08562	5.4
109.06490	2.7
109.10094	2.5
111.08051	5.4
111.11662	1.9
118.74374	1.5
119.08527	1.7
119.99699	1.4
121.06517	1.6
121.10146	3.0
123.08059	1.7
125.05979	6.8
125.09615	5.6
127.07554	3.7
132.99529	1.5
135.11652	1.9
137.09654	2.8
139.07526	26.3
139.11174	3.2
151.11162	4.2
153.09106	7.4
153.12695	2.7
163.11089	1.6
167.10663	8.5
172.65103	1.6
181.12239	9.5
195.13809	6.9
209.15376	5.5
220.19014	1.6
223.16902	2.9
237.18596	1.9
251.20134	1.6
255.53712	1.4
265.21634	1.6
279.23251	1.9
293.24966	1.9
335.29297	2.3
387.36633	1.9
405.37265	100.0
406.37552	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	406.1342
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	7.5
55.01864	11.1
56.17131	1.3
56.86396	1.3
57.03421	5.7
61.02914	5.2
68.99788	4.9
69.03422	30.7
70.06570	3.2
71.04973	4.0
71.31338	1.6
71.31662	2.6
72.08146	2.1
73.02914	9.9
81.03410	34.7
84.08144	2.9
85.02898	100.0
86.09695	2.1
87.00819	37.6
91.03940	3.1
97.02883	39.0
99.04455	15.7
103.03914	6.8
105.01857	40.1
108.04472	8.8
109.02870	83.3
110.07154	1.7
115.03920	1.7
117.01845	3.1
119.04851	1.7
126.05473	3.0
127.03905	70.7
128.04202	1.8
129.01819	5.8
133.02846	4.6
137.06003	2.7
139.57214	1.6
141.05452	35.2
145.02988	1.7
145.04938	43.2
147.02888	5.8
147.04381	3.0
159.02887	24.1
165.05475	19.6
171.02968	1.7
177.05420	5.1
179.07036	2.7
183.06511	3.3
189.03935	13.3
189.05478	2.8
199.04018	1.7
203.06984	3.9
207.06487	16.0
209.64424	1.7
213.03841	2.7
230.06567	3.5
231.04631	13.4
231.06689	5.9
248.07648	1.6
249.07643	17.1
353.08600	2.0
359.47180	1.7
370.14151	1.8
406.20877	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.3571
Annotation	Unknow
Peak:m/z	Relative Intensity
54.90686	1.7
55.05499	2.2
57.03408	2.9
57.07068	100.0
59.04998	44.4
59.05285	2.0
69.07017	3.5
69.77512	1.7
69.77837	16.0
70.27204	1.8
71.08623	67.3
76.61658	1.8
77.02265	1.9
82.19324	1.9
83.08595	2.9
85.10172	53.7
85.14962	1.8
99.11707	8.1
112.61761	1.9
113.13278	3.4
117.09127	11.7
226.62392	1.9
271.26312	2.5
275.50058	1.8
349.88382	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	405.2633
Annotation	Stolonoxide E
Peak:m/z	Relative Intensity
53.03937	5.2
55.01871	17.4
55.05503	28.3
57.03427	9.3
57.07062	6.5
65.03925	5.7
67.05495	86.8
69.03423	37.3
69.07069	35.7
69.48949	5.2
69.49348	22.8
71.04978	7.3
79.05485	69.6
79.18599	3.4
79.72459	2.8
80.72169	2.4
81.03410	36.1
81.07052	86.4
83.04965	20.3
83.08627	18.4
85.02888	15.2
85.06523	4.9
87.04465	3.0
91.05472	72.8
93.07038	84.0
95.04977	22.0
95.08599	67.1
97.02880	13.1
97.06503	14.1
97.10143	6.9
98.20617	5.5
99.04440	6.1
101.53523	2.8
103.03932	3.1
105.07021	72.6
107.04971	15.6
107.08575	50.1
109.02859	8.5
109.06523	15.4
109.10149	31.3
111.04406	18.9
111.08072	9.0
111.11718	3.8
115.03914	3.2
115.05447	6.0
117.05511	2.6
117.07012	43.7
119.04932	3.6
119.08571	60.6
121.06502	12.2
121.10123	32.5
123.04411	4.8
123.08078	7.6
123.11697	9.8
125.05988	2.6
125.09609	5.4
127.03891	4.8
128.06216	6.1
129.05492	5.3
129.06996	28.0
131.08563	56.3
131.40985	2.7
133.06491	11.7
133.10110	49.9
135.08057	12.4
135.11681	24.6
137.05960	6.8
137.09616	4.8
139.11150	4.9
141.06987	10.6
142.07759	4.4
143.08554	28.8
145.06491	9.1
145.10118	42.2
147.04347	3.2
147.08058	14.6
147.11656	25.8
149.09605	11.8
149.13272	12.3
155.07289	2.8
155.08543	12.4
157.06499	6.1
157.10124	26.1
159.08051	11.6
159.11673	38.9
161.06032	2.6
161.09630	8.2
161.13235	20.2
163.11267	6.2
163.14897	3.6
165.07034	2.9
167.08505	4.5
169.10088	17.8
171.08073	7.3
171.11690	17.9
173.09630	8.9
173.13222	21.7
175.11192	8.1
175.14890	10.2
177.09093	2.8
177.12730	8.0
181.10153	5.0
183.11688	15.0
185.09674	7.0
185.13249	16.6
187.11186	8.6
187.14809	8.7
189.09131	3.1
189.12764	5.8
191.10597	3.3
193.12189	4.5
195.11719	5.5
197.09636	5.0
197.13277	6.8
199.11208	8.1
199.14854	10.4
201.12694	6.6
201.16418	3.4
203.14340	6.1
209.13257	7.4
211.14761	6.5
213.12784	7.2
213.16467	5.7
215.14270	4.9
217.15892	4.1
223.14992	3.6
225.12730	3.4
233.15428	4.8
253.19542	4.5
255.20982	3.6
257.15845	3.5
259.20651	6.2
271.20557	6.6
273.22150	11.7
277.21692	9.1
285.22318	5.9
287.23599	3.0
289.21600	8.5
291.23190	7.4
293.24744	3.0
295.20755	3.3
297.21964	2.9
299.20178	4.0
299.23578	4.0
301.21622	10.8
303.23151	6.3
313.21628	6.4
315.23172	15.8
317.24854	5.7
319.22604	11.9
323.23621	5.6
327.23129	11.3
331.22711	9.5
341.24680	19.9
345.24307	10.2
351.23227	18.6
361.23462	3.4
369.24219	61.1
387.25305	65.8
405.26376	100.0
406.26651	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2634
Annotation	7alpha,12alpha-Dihydroxy-3-oxochol-4-enoate
Peak:m/z	Relative Intensity
52.25501	3.7
53.03942	10.9
55.01862	12.6
55.05325	3.7
55.05504	37.2
57.03427	12.3
57.07058	7.4
65.03933	7.1
67.05502	83.1
69.03413	35.5
69.07061	30.9
71.01334	6.3
71.04987	11.9
73.02915	4.7
79.05491	69.8
80.67020	4.3
81.03412	33.9
81.07047	100.0
83.04969	15.1
83.08608	17.1
85.02901	10.6
87.04449	4.7
89.06036	8.3
91.05473	74.7
93.07040	85.4
95.04983	26.6
95.08595	67.0
97.02890	16.4
97.06508	16.1
97.10152	12.4
99.04448	6.3
100.30578	4.5
105.07018	82.2
105.07713	5.4
107.04936	10.4
107.08571	52.1
109.02885	9.3
109.05810	4.1
109.06497	22.9
109.10152	29.4
111.04433	15.2
111.08091	4.3
117.07008	39.2
119.08573	71.7
121.06490	11.8
121.10149	39.2
122.77895	4.0
123.04428	5.1
123.08052	13.7
123.11686	11.2
127.03899	5.7
128.06181	9.1
129.05496	5.7
129.06993	25.1
131.08569	51.3
131.09494	7.0
133.06482	10.3
133.10121	41.0
135.08043	16.8
135.11690	21.2
137.06035	4.3
137.09616	10.7
139.11084	5.2
141.06973	6.3
142.07709	7.2
143.08534	24.9
145.06468	16.3
145.10112	45.2
147.08037	9.0
147.11676	28.3
149.06042	7.0
149.09616	12.6
149.13280	15.2
151.11168	7.9
155.08574	13.4
157.06439	8.6
157.10046	20.3
159.08083	7.7
159.11665	32.7
161.09621	12.6
161.13254	19.7
163.11191	9.4
167.08534	7.1
169.10100	13.9
171.08020	6.1
171.11665	21.0
173.09637	7.4
173.13223	20.9
175.11185	13.8
175.14810	7.9
177.09134	5.4
177.12698	6.0
181.10098	6.3
183.11678	14.5
185.13263	15.5
187.11195	9.6
187.14758	7.5
189.12778	9.9
195.11736	5.8
197.13240	8.6
199.11211	8.2
199.14809	6.6
203.14337	5.7
211.14818	6.3
213.12802	5.9
215.14380	5.7
229.76620	5.9
259.11096	6.3
259.20590	9.4
273.22040	14.7
277.21594	9.0
285.22153	6.3
289.21564	11.8
291.23196	5.6
299.20294	5.9
301.21347	9.7
303.23279	9.5
313.21570	8.6
315.23169	18.4
319.22717	5.6
327.23193	8.4
331.22675	7.3
341.24921	20.5
345.24170	13.1
351.23163	19.9
359.25714	7.5
369.24207	58.1
387.25195	51.0
405.26312	91.6
406.26834	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	405.263
Annotation	Stolonoxide E
Peak:m/z	Relative Intensity
53.03933	11.9
53.42250	4.4
55.01863	10.8
55.05509	30.3
57.03421	7.4
62.13768	4.2
67.05495	70.2
69.03421	25.9
69.07065	29.2
71.04971	7.9
71.17350	6.6
71.17657	6.3
73.02895	5.9
79.05485	53.6
81.03403	23.7
81.07042	77.5
83.04967	14.7
83.08601	14.4
85.02885	9.9
91.05468	65.3
93.07034	68.4
95.04960	17.1
95.08588	50.1
97.02859	12.0
97.06541	8.6
97.10115	4.1
98.21150	6.1
99.04463	8.4
103.05418	9.2
105.07027	61.0
107.04909	11.9
107.08569	42.2
109.02851	5.7
109.06497	13.9
109.10141	18.7
111.04417	14.1
111.08135	4.7
115.05399	5.6
117.07012	36.5
119.08576	56.3
121.06496	11.0
121.10140	29.8
123.08027	7.9
123.11685	5.5
128.06181	6.9
129.06958	22.5
131.08545	58.4
133.06465	8.0
133.10101	39.5
135.08057	11.7
135.11690	17.8
137.09669	6.5
142.07726	8.1
143.08517	27.9
145.06450	7.0
145.10080	41.9
147.08006	8.3
147.11691	22.5
149.09560	7.2
149.13268	10.2
151.07565	7.0
155.08531	8.5
157.10081	20.9
159.07986	8.8
159.11681	34.3
161.09584	8.5
161.13239	13.6
167.08597	5.1
169.10106	11.2
171.08026	6.7
171.11714	20.8
173.09674	4.3
173.13284	24.8
175.11176	6.6
175.14830	4.8
177.12808	4.7
181.10080	8.7
183.11719	7.8
185.09685	4.2
185.13237	11.9
187.14780	8.5
189.12703	5.3
191.10808	4.1
195.11682	6.0
197.09650	4.8
197.13100	5.8
199.11201	5.7
199.14774	15.7
201.12724	5.3
213.12712	6.8
259.20422	7.6
271.20639	6.6
273.22028	5.9
277.21548	5.0
285.22110	8.0
289.21518	13.9
291.23343	4.2
301.21619	11.1
303.23163	7.2
313.21606	6.1
315.23181	13.4
319.22571	9.1
327.23114	7.2
331.22678	4.9
341.24765	7.7
345.24008	7.2
351.23184	11.6
369.24347	44.8
387.25278	41.4
388.25507	4.2
405.26376	100.0
406.26794	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	405.2629
Annotation	Lucidone C
Peak:m/z	Relative Intensity
50.66327	1.2
53.03918	5.5
55.01869	7.7
55.05506	37.0
56.96552	2.7
57.03407	3.3
59.04985	1.6
63.69403	1.2
64.44888	1.5
65.03909	3.5
67.05496	37.1
69.03429	7.1
69.07068	16.5
69.35840	1.4
70.06585	6.6
71.04962	4.7
71.28951	2.2
71.29290	1.9
72.08118	1.7
78.10623	1.3
79.05035	2.6
79.05483	49.3
81.03378	3.5
81.07047	46.0
83.04972	6.3
83.08606	20.1
84.08112	2.3
85.02863	1.9
85.06495	3.4
91.04942	2.6
91.05468	40.4
93.06440	1.7
93.07035	39.2
95.04958	45.4
95.08024	1.6
95.08592	27.2
96.05262	1.3
97.06485	5.4
97.10157	22.4
98.98442	3.8
99.08047	1.5
103.05450	2.2
105.03378	6.8
105.07011	32.9
107.04939	14.7
107.08577	24.0
109.06509	8.4
109.10149	10.1
111.08071	3.1
115.05426	3.2
117.07008	19.0
118.06516	2.5
119.04932	9.1
119.08560	19.1
121.06497	32.0
121.10128	10.7
123.08071	9.3
125.09615	20.4
128.06181	3.7
129.06999	17.3
130.04869	1.7
131.04872	3.3
131.08540	24.3
133.06487	10.3
133.10103	12.5
135.08032	10.0
135.11697	8.0
135.12595	1.6
136.99966	1.4
137.05899	1.8
137.09610	2.0
139.07402	1.6
141.06952	4.4
141.08914	1.2
142.07756	2.5
143.08542	17.3
143.10509	1.3
145.06482	14.7
145.10115	15.5
147.08031	12.6
147.11626	3.5
149.05940	2.0
149.09581	8.3
149.13223	3.9
153.09041	2.1
155.01003	2.4
155.08492	6.5
157.06445	2.9
157.10130	9.5
159.08002	5.7
159.11667	8.7
160.30479	1.3
161.09549	4.4
161.13136	2.6
163.11203	7.8
168.09178	1.9
169.10083	4.0
171.08014	4.2
171.11630	5.8
173.09549	1.9
173.13132	3.9
175.11125	2.5
176.48633	1.3
177.12712	4.0
181.10028	3.6
183.08102	2.0
183.11581	4.2
185.09599	2.8
185.13263	6.8
187.11099	2.4
187.14761	2.8
189.11234	15.6
189.16336	1.9
195.11676	3.5
195.13728	3.3
197.09570	2.1
197.13162	4.0
199.11110	1.6
199.14828	8.3
201.12575	3.1
201.81966	1.5
203.14191	2.6
204.13698	1.6
205.12291	2.1
209.13210	2.8
211.14658	1.7
213.12616	3.7
215.14204	3.4
217.13992	2.0
217.15849	22.3
219.13683	2.6
223.13177	12.1
224.67230	1.5
225.12723	2.5
227.14200	3.5
229.15857	1.3
231.13698	4.1
239.14207	2.6
243.13747	2.8
244.20323	1.4
245.15349	3.0
245.20737	2.0
249.14854	18.3
255.08972	8.3
257.15240	5.1
261.14752	2.5
263.16306	7.3
271.16971	2.0
272.19968	3.9
273.10031	4.8
273.14819	2.2
273.20554	9.3
275.16312	4.4
278.10464	2.2
291.19174	1.6
323.23453	3.0
333.22101	2.4
341.24493	4.5
347.15369	1.8
351.23114	19.5
359.25827	1.4
365.16153	4.7
369.24219	44.2
370.24393	2.2
383.17230	3.5
387.25134	38.5
388.25479	2.8
405.26422	100.0
406.26691	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	405.2633
Annotation	7alpha,12alpha-Dihydroxy-3-oxochol-4-enoate
Peak:m/z	Relative Intensity
52.13140	4.0
53.03931	7.9
55.01863	15.7
55.05510	32.9
57.03437	10.1
57.07066	9.6
60.75080	3.8
67.05502	72.6
68.99795	5.5
69.03429	37.4
69.07064	29.4
69.42860	35.2
69.43279	9.9
69.98382	4.1
71.04980	13.4
76.16945	4.5
79.05492	59.5
81.03413	35.6
81.07055	95.2
83.04967	16.7
83.08594	17.1
85.02892	17.4
91.05481	63.9
93.07048	66.0
95.04961	15.1
95.08595	66.4
97.02898	11.4
97.06543	7.4
97.10150	12.4
99.04498	9.1
105.07025	69.8
107.04943	15.2
107.08585	50.8
109.02892	5.1
109.06494	8.6
109.10132	31.2
111.04418	13.6
115.03972	4.9
115.05427	4.1
117.07015	32.7
119.08570	60.8
121.06504	11.0
121.10126	34.4
123.08059	11.5
123.11697	10.5
128.06174	6.7
129.05490	6.5
129.06995	25.0
130.53142	4.4
131.08543	47.0
133.06491	12.7
133.10118	43.1
135.08057	12.9
135.11697	20.0
137.06021	5.5
141.06949	8.5
143.08574	25.2
145.06487	12.2
145.10091	34.7
147.08052	12.1
147.11671	26.0
149.09604	8.3
149.13242	13.1
151.07576	7.1
155.08565	12.4
157.06422	7.3
157.10187	25.7
157.11226	4.4
159.08040	12.1
159.11682	31.2
161.09605	13.5
161.13257	12.9
163.11174	6.7
169.10066	8.2
171.08008	5.1
171.11702	14.5
173.09673	9.1
173.11871	4.8
173.13249	22.8
175.11145	7.1
175.14876	7.5
177.12820	5.3
181.10060	6.4
183.11743	10.0
185.13240	14.8
187.11208	7.8
187.14850	8.3
195.11678	6.8
197.13286	11.8
199.11212	4.1
199.14798	14.8
201.12727	9.0
201.16397	7.4
208.90324	4.8
210.60347	4.3
213.16493	5.2
225.12679	5.0
259.20633	5.1
271.20575	7.7
271.28735	4.8
273.22025	12.6
277.21588	9.5
289.21640	6.7
291.23233	6.7
299.20215	4.7
299.23608	6.4
301.21594	11.1
303.23135	6.0
313.21808	6.2
315.23248	17.1
319.22604	11.8
327.23257	13.8
331.22485	7.0
341.24689	20.4
341.31567	4.6
345.23895	9.5
351.23270	21.4
357.24329	4.7
359.25644	4.9
369.24237	67.1
387.25250	63.6
405.26291	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.263
Annotation	Stolonoxide E
Peak:m/z	Relative Intensity
53.03930	7.1
55.01856	11.6
55.05506	38.3
57.03421	9.2
57.07061	3.9
65.03923	5.2
67.05496	66.0
69.03424	21.6
69.07056	30.6
71.01334	4.4
71.04976	9.6
71.75854	4.7
73.02906	3.4
79.05481	65.7
81.03420	28.0
81.07045	86.7
83.04969	16.0
83.08613	18.3
85.02895	11.0
85.06546	6.1
87.04453	3.0
91.05470	65.9
93.07029	81.2
95.04962	24.2
95.08593	63.1
97.02878	13.6
97.06519	7.6
97.10179	7.0
99.04458	9.9
105.07021	69.2
107.04945	10.1
107.08583	41.5
109.02888	4.8
109.06519	15.0
109.10131	22.5
111.04453	14.9
115.05474	5.7
117.06995	38.2
117.56599	2.8
119.08563	55.1
121.06488	13.3
121.10132	33.7
123.04404	4.8
123.08048	7.2
123.11701	6.7
126.57618	2.9
128.06213	7.2
129.05444	7.6
129.06995	22.3
130.07793	6.5
131.08543	64.4
131.09450	5.2
133.06471	12.1
133.10110	44.5
133.14067	3.0
135.08047	10.3
135.11658	22.7
137.09578	6.2
141.06984	7.2
142.07762	8.1
143.08549	26.8
144.09311	3.6
145.06467	11.3
145.10088	38.2
147.08044	10.1
147.11667	29.6
149.09650	4.8
149.13263	11.5
155.08548	12.6
157.06493	4.1
157.10097	25.5
159.08026	8.7
159.11671	35.6
161.09586	6.6
161.13232	15.4
163.11159	5.3
163.14833	4.0
169.06654	3.0
169.10172	8.0
171.08067	5.8
171.11652	21.0
173.09575	6.4
173.13257	20.3
175.11133	4.9
175.14888	8.7
177.12756	4.0
179.08542	4.2
181.10165	3.7
183.11597	7.7
185.09579	4.0
185.13272	13.5
187.11261	7.7
187.14787	7.5
189.12808	7.8
195.11838	5.8
197.13232	8.7
199.11119	7.0
199.14821	6.3
201.16386	3.3
203.14319	3.8
207.11688	3.4
208.89116	3.1
209.13286	6.3
211.11244	4.9
211.14856	4.0
213.12755	6.2
215.14461	3.0
225.12730	3.4
241.15807	4.9
255.21027	3.8
259.20667	8.8
261.22128	5.0
271.20648	5.4
273.22208	9.0
277.21637	8.2
283.20621	4.5
284.36798	3.3
285.22211	7.4
287.36533	3.1
289.21725	12.8
291.23215	6.2
301.21600	13.3
303.23175	9.9
305.48871	3.0
313.21552	6.7
313.25229	3.9
315.23227	14.1
319.22626	8.8
327.23309	9.8
331.22580	7.2
341.24738	12.5
343.22687	3.8
345.24246	9.3
351.23209	10.7
369.24200	49.1
387.25229	49.3
405.26361	100.0
406.26239	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	405.263
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	8.0
55.01859	7.2
55.05507	43.9
57.03428	4.0
59.05006	2.3
64.40849	2.3
65.03924	2.5
67.05494	68.6
69.03381	3.0
69.06744	3.1
69.07069	35.8
70.06569	3.9
70.67400	2.6
70.67735	9.0
71.04985	4.8
79.05482	61.2
81.03424	2.5
81.06556	4.0
81.07047	74.7
83.04956	7.4
83.06111	4.3
83.08611	37.5
84.04496	9.0
85.06549	4.3
87.04494	2.6
91.05470	100.0
93.07038	58.1
95.04956	11.3
95.08591	45.8
97.06509	14.0
97.10165	12.8
99.08079	3.0
100.03285	2.3
105.07026	65.8
107.04959	10.5
107.08585	23.3
109.06522	8.8
109.10143	11.0
109.10802	2.6
111.08065	8.7
115.05441	9.2
116.06229	2.2
117.07012	63.5
119.04915	5.0
119.08566	39.5
121.06488	9.2
121.10140	23.3
123.08048	8.4
123.11697	2.9
125.09573	4.6
128.06166	16.5
129.07001	58.2
130.04985	7.8
130.71678	2.3
131.05014	4.1
131.08553	96.0
132.10303	2.7
133.06470	9.6
133.10118	14.4
135.08057	6.2
135.11714	12.2
137.09605	3.5
139.11156	9.6
139.12198	2.4
141.06969	23.1
141.09169	2.5
142.07732	5.4
143.08543	51.4
144.37971	2.4
145.06451	10.3
145.10103	33.8
147.07898	9.7
147.11671	10.2
149.09621	9.4
149.13347	2.6
153.06995	4.8
154.07742	3.1
155.08557	34.1
157.06523	3.3
157.08955	3.7
157.10106	23.3
159.08051	6.0
159.10579	2.4
159.11656	15.2
161.09604	4.0
161.13257	3.6
163.11162	3.1
165.07016	3.2
167.08524	14.9
169.10107	18.9
171.08070	5.4
171.11681	15.6
173.09665	4.0
173.13271	6.1
175.09692	5.8
175.11182	6.2
177.12732	3.3
179.08611	7.3
180.09393	2.7
181.10056	15.7
183.11681	12.2
185.09479	2.7
185.13220	12.1
187.11205	4.9
193.10114	7.0
195.11687	21.7
195.13445	3.3
197.09740	2.8
197.13222	8.8
199.11143	3.7
199.14757	3.9
205.12234	2.6
207.11699	4.3
207.13713	2.5
209.13188	11.8
211.14833	6.6
213.12677	5.1
213.16202	2.5
215.14366	2.9
217.15906	3.8
219.11673	3.1
219.13779	3.1
221.13277	13.7
221.15222	3.4
223.14774	20.5
225.12675	2.4
225.16272	3.8
226.40411	2.4
233.15341	9.7
235.14780	7.7
235.16924	2.4
237.16457	3.3
239.14326	9.7
241.15862	6.0
245.15350	3.5
247.16959	3.4
253.15868	10.3
257.15359	12.6
259.16830	3.4
259.20636	2.5
267.17267	3.3
271.16806	8.4
273.18521	2.8
275.16296	2.9
285.18430	3.9
315.21149	5.6
323.23587	7.4
333.22125	15.9
341.24789	12.9
351.23132	41.9
352.23438	3.5
359.25943	3.4
364.73709	2.5
369.24237	27.8
377.27063	3.5
387.21484	3.3
387.25412	33.2
405.26675	4.4
406.35251	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	405.2267
Annotation	Strophanthidin
Peak:m/z	Relative Intensity
53.03939	4.8
55.01872	14.1
55.05504	26.6
57.03429	7.9
65.03928	2.9
67.05501	31.0
68.72665	2.3
68.99780	2.4
69.03402	4.3
69.07060	25.2
69.48093	9.3
69.48521	9.7
70.06573	7.8
71.01331	2.5
71.04980	5.8
72.08138	3.7
79.05479	34.0
81.03406	5.4
81.07049	35.2
83.04967	5.7
83.08611	11.1
84.08131	2.6
85.02908	2.3
91.05468	31.3
93.03373	2.0
93.07034	32.1
94.29956	1.7
95.04958	10.6
95.08604	16.5
97.02903	2.9
97.06520	7.6
97.10167	9.3
98.98449	4.6
99.16968	2.0
103.05438	6.1
105.03376	4.2
105.07008	27.0
106.73362	2.4
107.04935	13.1
107.08572	16.2
108.02997	2.0
109.02867	3.2
109.06499	13.0
109.10153	9.8
111.04364	2.2
111.08062	5.9
115.05440	8.0
117.07011	19.2
119.04922	8.7
119.08566	18.3
121.06465	9.7
121.10116	4.7
123.04418	7.6
123.08077	4.6
125.05956	2.6
125.09617	6.7
128.06219	8.0
129.07027	16.5
131.04909	5.8
131.08577	17.7
133.06480	14.3
133.10136	9.9
135.04373	10.7
135.08029	11.3
137.05978	7.1
137.09549	2.5
139.03807	2.2
141.06996	6.6
142.07730	3.2
143.04860	5.1
143.08557	12.9
144.05798	2.4
145.06493	13.6
145.10103	8.1
147.04410	10.9
147.08029	7.7
147.11696	5.0
149.02470	2.3
149.05977	12.4
149.09618	10.9
151.03902	4.0
153.09119	2.7
154.07797	2.4
155.01035	8.1
155.08510	9.5
157.06473	7.3
157.10107	8.1
159.04398	7.4
159.08052	14.2
159.11668	6.6
161.05960	25.8
161.09589	7.2
163.03838	12.8
163.07509	3.2
165.05502	6.4
165.06966	2.3
167.08586	5.2
169.06485	3.3
169.10104	5.8
171.04382	3.2
171.08034	9.7
171.11674	6.7
173.05978	12.3
173.09596	5.5
175.03883	15.6
175.07576	8.4
175.11143	4.0
177.05455	14.5
177.09122	2.3
177.12709	2.9
179.08533	5.7
180.09258	2.4
181.10031	4.8
183.07991	3.8
183.11678	5.7
185.05975	7.1
185.09613	6.3
186.06728	2.2
187.03877	3.9
187.07552	9.7
187.11139	4.8
189.05411	18.3
189.09148	3.6
189.11244	4.0
191.07011	4.8
193.10098	4.6
195.06468	4.1
195.08125	3.1
195.11682	4.3
197.09610	5.6
197.11383	2.0
199.07526	6.7
199.11171	7.8
201.05516	7.3
201.09102	6.2
201.12695	3.1
203.07005	5.8
203.10672	3.2
207.06422	2.3
209.09628	2.2
211.07581	3.3
211.11150	4.7
211.14867	2.1
213.09116	5.5
213.12766	6.0
215.07028	7.7
215.10699	6.5
215.14169	3.4
217.08617	3.8
217.12274	12.6
219.10059	3.1
223.11238	4.7
225.09044	3.9
225.12737	4.1
227.10718	3.4
229.08649	4.8
229.12212	4.5
231.10106	6.5
233.11618	2.7
235.11078	2.8
237.12827	2.7
239.10666	5.8
239.14276	3.2
241.12134	5.3
243.13860	2.6
244.06656	1.9
245.11740	7.2
249.12738	2.7
251.16423	2.9
253.12204	2.9
255.13908	2.6
257.11588	3.2
257.15424	2.9
259.10938	3.2
259.13297	4.6
263.12662	3.1
265.12189	2.6
267.13864	5.6
271.13245	6.2
273.14865	3.5
283.13208	5.0
285.14825	8.5
295.13309	6.3
299.20175	2.2
301.14322	14.4
309.18454	2.4
313.14267	14.4
313.17706	4.0
319.15302	6.9
323.19989	6.8
327.19363	5.1
329.21094	2.0
331.15265	7.0
333.18243	2.8
339.19547	2.6
341.21097	14.4
345.20502	8.4
351.19446	17.1
357.20410	3.1
359.22101	3.0
369.20581	100.0
370.20828	8.8
387.21619	70.8
387.26413	3.7
388.21957	4.8
405.22577	39.2
405.27621	10.3
406.22922	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	405.1542
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	2.2
55.05522	2.1
65.03935	9.4
67.05502	5.3
68.34356	1.8
70.06601	5.9
70.29560	8.7
79.05478	6.5
81.03404	5.6
81.07047	2.9
82.04243	2.6
84.08134	3.3
85.02912	4.9
86.09692	2.5
91.05470	3.8
95.04984	3.9
105.07011	2.6
107.04962	17.9
108.02109	2.4
109.10194	2.8
111.04428	2.8
115.05456	5.0
117.07019	2.9
119.04987	2.1
119.08568	2.2
122.03620	5.4
125.06010	4.6
128.06242	3.8
129.07013	11.3
131.04976	3.2
133.06505	2.4
137.05963	45.8
142.02588	2.2
143.04909	3.5
145.06465	6.4
147.04449	2.4
148.55379	2.2
151.03899	32.6
151.07411	2.4
153.05463	2.8
156.05635	2.3
157.06445	7.8
161.05988	7.5
167.07024	30.0
171.04361	5.6
171.06519	8.2
172.05182	8.4
173.05943	3.3
175.07576	7.6
176.04691	2.2
181.04944	100.0
187.07556	6.3
189.09123	8.9
190.06108	2.6
191.07080	6.5
200.04764	2.9
203.06989	13.8
218.05728	4.2
219.06406	3.6
221.08104	5.6
233.08076	47.7
247.07504	2.7
251.09196	3.1
263.09134	9.8
277.08621	4.6
293.08200	3.6
294.09079	2.3
309.10953	2.6
337.10477	3.9
351.12402	3.2
357.13339	11.4
369.13339	5.6
375.13913	3.5
387.14435	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	405.205
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.9
55.01862	3.8
55.05503	13.7
56.05023	4.7
57.03423	5.6
57.07076	1.9
58.99599	1.5
59.04991	4.0
61.02915	1.7
65.03949	1.7
67.05499	69.5
69.03410	3.5
69.07069	9.4
70.06588	12.9
71.04986	47.9
71.73273	2.3
72.08141	3.9
79.05482	17.6
81.07048	99.5
83.04980	6.2
83.08606	6.0
84.04489	2.6
84.08137	6.1
85.01123	6.1
85.02907	3.1
85.06538	24.2
86.00629	2.5
86.09673	2.3
87.04477	2.2
91.04920	3.1
91.05474	47.5
93.07032	16.9
94.97507	1.8
95.04965	5.0
95.08595	11.2
97.01118	2.0
97.06512	3.7
97.10165	1.8
98.09683	1.4
99.08076	1.7
102.03776	11.1
102.05534	9.7
102.67520	1.3
102.83739	1.5
103.05480	1.9
105.07021	31.4
107.04935	2.8
107.08581	24.1
109.06511	5.4
109.10145	32.0
116.01665	4.2
117.06953	2.3
119.04961	1.9
119.08552	6.0
121.06503	2.2
121.10149	5.0
123.08067	2.5
123.11696	25.0
125.05942	2.1
125.09613	2.5
129.10263	2.0
130.04980	2.3
131.08536	6.2
133.06462	2.0
133.10120	56.3
137.05971	9.1
137.09653	1.8
143.08557	2.0
145.10184	3.5
147.04407	4.8
147.11642	2.9
149.06071	2.0
151.07552	1.7
151.11159	35.5
151.12289	2.8
155.08534	2.4
157.10109	2.8
159.11639	3.0
161.05948	3.0
161.13210	1.7
162.02251	2.1
163.11221	1.9
167.07002	5.8
169.10110	3.6
169.12245	13.5
171.11749	2.1
173.13333	1.5
181.04973	4.9
181.08630	2.6
183.13789	11.5
187.13281	100.0
188.03804	2.8
189.03380	3.4
189.09157	1.7
198.14917	2.2
199.14752	1.8
201.14828	22.3
205.06421	23.6
226.12527	2.4
233.08017	2.7
244.15460	4.6
280.13544	1.8
312.12750	4.3
328.10522	2.2
329.11392	3.0
355.16919	2.6
373.17908	71.8
387.22180	2.1
405.20096	15.7
405.27933	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	404.3003
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06568	13.5
54.21904	13.8
55.05503	75.6
67.05482	65.1
69.03441	15.3
69.07050	41.1
70.06586	34.3
70.35715	52.8
72.08134	19.2
79.05468	61.8
79.62385	14.9
81.07047	100.0
83.08591	41.0
91.05467	49.5
93.07023	46.8
95.08591	54.5
97.06461	21.0
97.10195	14.4
105.07015	48.2
107.08558	43.7
109.10122	20.0
117.06965	21.7
119.08607	20.2
121.10140	27.6
131.08572	27.2
133.10074	24.4
137.05861	16.0
145.10068	16.4
161.13342	16.2
217.68373	14.5
266.92810	14.2
277.21576	25.3
351.25226	22.0
369.26498	24.0
370.72089	14.8
404.28128	97.0
405.11749	34.6
405.21872	20.7
405.26447	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	404.8784
Annotation	Unknow
Peak:m/z	Relative Intensity
56.31369	1.8
62.06081	27.3
70.06569	2.4
70.25797	2.9
70.26197	5.1
78.95628	3.4
85.33224	1.8
94.93000	20.1
98.21037	3.7
147.33530	1.9
154.96896	1.9
174.89592	19.8
190.91161	3.7
202.89085	100.0
210.93861	2.3
212.85201	36.9
232.92236	19.0
238.22453	1.8
244.90164	3.0
246.88058	11.5
248.89697	5.9
268.94638	23.8
306.90179	38.4
318.87097	2.2
404.89999	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.3004
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	45.2
57.03413	10.5
67.05508	61.3
68.75061	7.7
69.07053	33.4
69.44197	100.0
70.06593	15.5
71.08604	15.9
79.05486	63.0
81.03415	11.7
81.07056	69.0
83.04966	11.9
83.08596	20.0
91.05455	34.0
93.07026	41.0
95.04952	21.5
95.08595	33.6
97.06497	14.8
97.10140	28.6
98.21484	17.9
99.08067	16.0
105.07014	33.0
106.07315	8.8
107.08568	20.3
109.10103	16.1
117.06976	14.4
119.08565	21.9
121.06541	12.9
121.10091	16.7
125.09597	16.7
129.06966	21.8
131.08539	14.2
133.06512	9.4
133.10080	22.3
135.07973	12.0
145.06409	10.7
145.10130	19.7
151.11137	10.5
159.11671	16.9
161.13200	9.5
163.03854	10.7
174.44524	9.3
216.14684	15.5
248.82280	8.9
250.16728	10.0
269.17517	32.4
277.21616	21.5
333.43820	9.2
368.22861	18.9
369.24359	12.1
386.23819	28.4
404.24548	65.2
405.26138	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	404.3003
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	48.6
57.03437	15.2
67.05501	91.4
69.07063	26.1
70.06579	10.8
71.08627	20.6
78.62318	7.5
79.05485	60.8
81.06613	11.6
81.07051	97.6
83.04997	13.3
83.08606	24.5
91.05470	36.7
93.07034	74.1
95.04966	16.8
95.08598	32.5
97.06516	10.4
97.10168	25.3
98.21497	15.1
99.08064	26.1
101.63083	9.0
105.07049	39.6
107.08589	36.6
111.08065	8.4
114.00715	8.1
117.07010	19.8
119.08566	18.8
121.10156	13.1
125.09626	16.2
131.08516	13.5
133.10159	18.8
135.11650	12.1
149.13292	25.1
151.11201	23.6
159.11761	23.4
163.11147	10.4
177.12708	20.4
192.36758	9.8
193.24435	8.9
195.13855	12.1
216.41566	8.8
229.65265	8.6
259.20676	10.4
269.17438	100.0
277.21698	25.3
286.20145	14.6
287.44830	8.5
351.25351	29.3
404.25055	36.4
405.26544	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	404.2613
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	1.4
58.99571	1.1
65.03934	5.7
67.05488	2.5
68.05006	2.1
70.93737	1.5
70.94093	2.4
71.08234	0.9
81.07027	2.3
85.01096	3.6
86.09685	1.2
95.08588	1.1
98.00640	1.8
99.02675	6.6
110.08154	0.9
126.03730	100.0
144.04881	1.2
149.92491	0.9
225.17580	0.9
404.26151	33.3
405.26471	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.2826
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00979	2.0
56.05031	68.8
57.07056	7.8
63.05349	2.3
67.05493	3.3
69.07062	3.0
71.08620	5.1
71.33372	4.8
72.30258	2.3
74.02434	89.8
74.06056	3.3
75.02699	28.7
81.07010	5.7
95.08586	7.6
96.04324	2.5
100.03960	2.2
102.05523	15.0
107.00649	2.1
131.01601	2.5
148.04268	3.8
149.02658	25.8
166.05325	100.0
197.84518	2.6
199.47525	2.3
264.26810	5.4
294.27890	23.0
340.28436	95.3
340.32547	5.3
341.28802	5.9
386.27170	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	404.174
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96309	0.8
56.96562	13.5
67.05469	0.7
69.66198	5.9
70.06567	0.8
71.95232	1.7
89.65195	0.7
91.05403	0.9
94.04162	1.4
98.97569	54.1
116.98609	57.7
122.03635	5.0
134.99641	46.2
137.05966	43.2
138.06322	1.1
140.00168	5.5
153.00687	8.5
158.01257	6.6
176.02299	0.9
176.07014	3.1
179.00073	1.2
197.01193	3.0
198.01959	1.8
208.10178	1.3
211.02682	0.9
215.02344	1.3
220.00407	2.3
224.09590	1.6
226.11111	15.2
235.02745	50.0
236.03096	1.8
238.01457	3.5
242.10565	1.6
244.12180	9.5
253.03821	100.0
254.04103	2.8
267.13821	1.3
268.12241	3.8
271.04886	4.4
276.05399	20.6
280.11948	1.6
286.13327	1.1
298.13126	0.8
329.13022	1.0
344.15274	8.6
348.32211	0.8
362.16156	1.8
404.17401	72.1
405.17734	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	404.1913
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02388	2.0
51.78922	2.0
53.03925	2.8
55.01839	2.3
55.05489	3.1
56.96539	2.8
60.04506	2.4
64.94081	1.9
67.05477	4.4
69.03419	7.2
69.44691	6.5
69.45111	15.3
69.98358	1.8
70.06567	16.2
71.04977	10.3
72.08127	4.2
74.13507	2.5
79.05482	6.4
81.03412	29.0
81.07034	6.3
83.04924	2.0
84.04504	4.5
84.08123	8.2
85.02872	5.0
86.09679	8.2
91.05470	15.7
93.07027	7.9
95.04965	3.4
95.08603	2.5
97.02918	3.0
99.04453	22.6
103.05472	4.2
105.07021	100.0
105.93353	2.0
107.04951	3.8
107.08587	8.4
109.02867	18.3
109.06509	4.5
119.04926	3.7
119.08545	9.1
120.08071	6.1
121.02873	2.2
121.06481	6.5
123.08047	3.0
127.03893	3.4
128.06204	4.0
129.10228	5.1
131.04926	3.5
131.08508	3.2
133.06448	6.1
133.09163	4.2
133.10117	63.0
135.11644	2.2
137.05991	6.9
143.08507	8.8
145.06500	2.2
145.10123	7.9
146.06042	2.0
146.07225	3.2
147.04485	2.4
151.07541	5.8
161.05904	2.2
161.09607	79.9
163.11140	19.3
167.07071	3.0
173.12953	3.1
179.10646	19.5
184.03001	2.0
188.06964	3.8
189.09081	34.5
207.10194	19.0
243.08635	3.4
246.01064	2.3
261.09637	6.7
283.06137	3.2
284.06302	15.2
304.29657	2.6
313.07217	2.6
314.07358	7.1
322.07898	8.5
333.13129	3.0
338.07281	6.6
341.15912	10.8
350.07300	7.2
351.14310	22.3
360.10428	6.3
368.08395	17.1
369.15421	12.5
404.09598	17.9
409.00122	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	404.1561
Annotation	Unknow
Peak:m/z	Relative Intensity
61.80327	0.1
65.03930	1.0
69.03400	0.3
70.06583	1.4
70.39589	0.5
71.09859	0.1
72.08131	0.3
72.22516	0.1
79.05465	0.1
80.05044	0.1
81.03404	0.2
81.07065	0.2
84.04489	0.3
84.08141	0.7
85.02895	0.4
86.09676	0.8
87.10044	0.2
89.06027	0.2
91.05469	71.2
92.05811	1.6
93.07050	0.2
98.69202	0.2
104.31265	0.1
109.51085	0.1
110.07196	0.2
117.54535	0.1
117.77058	0.1
120.08080	0.2
126.06392	0.2
129.10240	0.2
137.43022	0.1
151.04852	0.5
164.05670	0.9
214.10898	0.2
242.10332	100.0
243.10672	4.9
308.06387	0.2
368.08237	0.2
404.08444	0.6
404.15585	5.1
404.23816	0.2
405.09683	0.5
405.15967	0.4
421.10138	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.156
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	0.1
65.03927	1.0
66.14887	0.1
67.05518	0.2
69.03419	0.2
70.06582	1.6
71.72986	0.2
72.08152	0.5
81.03416	0.2
84.04486	0.3
84.08159	0.6
85.02888	0.4
85.04000	0.1
85.06533	0.1
86.09703	1.1
87.00802	0.1
87.10045	0.3
89.06008	0.3
91.05471	68.3
92.05801	1.6
93.07040	0.2
97.02852	0.2
103.05454	0.1
105.07026	0.2
109.10146	0.1
113.59613	0.1
114.10268	0.2
116.07137	0.1
119.04971	0.1
120.08090	0.2
121.02871	0.1
121.08402	0.1
121.10165	0.1
125.04603	0.1
127.03889	0.2
129.10274	0.2
130.06451	0.1
132.08023	0.1
133.06421	0.1
136.06227	0.1
137.09564	0.2
148.05702	0.1
151.04886	0.2
159.09178	0.1
161.54962	0.1
162.13593	0.1
164.05688	0.9
167.06996	0.1
178.04921	0.1
214.10931	0.2
225.13773	0.1
234.48630	0.1
242.10336	100.0
243.07872	0.2
243.10655	4.0
284.06195	0.2
301.40527	0.1
307.39630	0.1
308.06696	0.1
346.12680	0.1
348.09210	0.1
360.26920	0.2
368.08405	0.2
404.08398	1.1
404.15509	5.6
405.09528	0.4
405.15564	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39777	2.9
53.03947	6.5
53.72535	3.0
55.01854	6.3
56.23302	3.6
56.96524	2.8
57.03419	6.8
61.02905	7.0
65.03918	3.4
69.03424	21.9
69.07043	3.4
69.51228	24.6
69.51635	5.4
70.02953	3.4
70.06587	39.4
71.04976	4.9
71.06915	3.7
72.08155	15.7
72.61240	3.0
73.02896	4.5
78.85318	2.9
81.03410	19.2
82.06567	19.0
84.04494	10.4
84.08133	25.7
85.02898	54.0
86.09695	44.3
87.00808	21.1
87.05579	4.7
88.03975	3.5
89.03899	6.4
91.05476	21.0
95.04974	4.1
97.02876	29.1
98.97591	4.5
99.04444	9.0
100.07613	15.1
103.03968	5.2
103.05420	4.1
105.01849	26.8
109.02868	13.3
110.07152	8.0
116.07059	3.6
116.98643	4.1
117.03382	8.4
119.04942	25.5
120.08076	12.6
121.06499	10.9
123.04408	4.3
127.03915	34.9
129.10228	12.4
130.08705	3.3
130.10548	3.2
135.04420	5.2
136.07567	8.5
145.02850	27.4
145.04904	20.6
145.06488	5.5
146.06036	3.2
147.04376	24.7
147.11353	3.3
149.05980	4.3
158.99664	2.9
159.02861	9.3
159.07773	4.1
162.05550	3.1
163.07471	3.4
165.05539	3.7
165.47540	3.0
173.25856	3.3
173.62459	3.0
175.03918	42.2
177.05460	41.9
183.07883	3.7
187.07491	6.7
187.50085	3.6
189.03905	10.6
192.04161	11.6
195.15005	4.5
200.10641	4.5
207.06511	100.0
211.81155	2.8
213.04037	3.5
219.01804	8.1
225.07576	36.1
229.08627	9.4
231.04988	6.6
237.02873	11.1
246.11276	7.5
247.09674	6.2
263.13904	6.0
359.06522	5.1
359.19684	6.7
387.19055	3.6
404.21533	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	404.1561
Annotation	Unknow
Peak:m/z	Relative Intensity
61.80327	0.1
65.03930	1.0
69.03400	0.3
70.06583	1.4
70.39589	0.5
71.09859	0.1
72.08131	0.3
72.22516	0.1
79.05465	0.1
80.05044	0.1
81.03404	0.2
81.07065	0.2
84.04489	0.3
84.08141	0.7
85.02895	0.4
86.09676	0.8
87.10044	0.2
89.06027	0.2
91.05469	71.2
92.05811	1.6
93.07050	0.2
98.69202	0.2
104.31265	0.1
109.51085	0.1
110.07196	0.2
117.54535	0.1
117.77058	0.1
120.08080	0.2
126.06392	0.2
129.10240	0.2
137.43022	0.1
151.04852	0.5
164.05670	0.9
214.10898	0.2
242.10332	100.0
243.10672	4.9
308.06387	0.2
368.08237	0.2
404.08444	0.6
404.15585	5.1
404.23816	0.2
405.09683	0.5
405.15967	0.4
421.10138	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1518
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85189	1.0
57.03399	1.0
58.99570	2.6
60.04527	1.8
62.24653	0.9
68.00466	1.1
69.03423	1.7
69.07057	2.0
70.06584	3.5
71.71550	0.9
72.08138	2.8
74.06075	3.1
76.02225	24.5
79.05490	2.7
81.03399	1.3
83.06068	1.2
84.04498	8.1
84.08138	3.2
85.02896	5.2
86.09698	8.5
87.05598	1.2
91.71076	1.1
95.04931	1.2
96.19642	0.9
97.02847	1.8
97.06525	20.7
98.97537	1.1
110.09724	1.1
115.71606	1.0
116.01693	6.5
129.10246	1.4
130.04996	5.6
142.03214	1.8
144.01144	2.4
147.04430	3.3
149.06679	1.3
162.02208	11.4
175.03920	2.8
179.04851	14.1
179.54536	1.2
191.78960	1.1
196.06990	1.1
202.09227	2.1
207.06502	4.9
216.09795	1.1
220.10344	2.0
221.05095	3.3
225.07632	1.3
233.05898	5.3
242.10141	6.1
260.09991	1.3
275.09790	3.5
287.11087	8.1
291.06564	1.1
308.09256	4.8
333.11578	1.8
376.14694	1.4
404.15222	100.0
405.15457	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	404.152
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40346	0.6
62.06085	9.4
63.07681	0.6
69.03433	0.6
69.54721	6.0
70.06596	1.1
72.08130	1.2
78.92903	0.6
78.95623	0.9
84.04497	0.7
84.08131	2.0
85.02895	0.8
86.30988	0.7
89.01726	0.6
114.46600	0.7
114.89381	0.8
119.01878	0.7
120.96636	6.2
121.96970	1.0
122.96435	2.0
132.96642	1.1
133.63014	0.6
145.03438	0.6
149.06610	0.7
150.97653	2.0
151.98047	1.2
152.97433	1.0
155.02028	0.7
158.91270	0.9
171.06326	0.9
173.03009	1.0
174.03171	0.9
180.98781	2.6
185.02881	0.7
185.06711	0.6
202.09254	2.0
220.10260	1.9
221.05174	2.0
222.71593	0.7
242.01154	1.0
242.10098	5.0
246.05304	1.3
255.16096	0.7
257.08627	0.7
260.09811	1.7
275.09738	2.1
276.06549	0.8
287.10989	8.4
305.10742	1.3
333.11609	1.8
376.14447	0.9
404.15195	100.0
405.01648	1.3
405.15494	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	404.0946
Annotation	6-(alpha-D-Glucosaminyl)-1D-myo-inositol 1,2-cyclic phosphate
Peak:m/z	Relative Intensity
57.02319	0.9
64.61642	0.8
70.29630	3.8
76.53902	0.8
167.03130	1.2
168.94244	0.8
218.56929	0.9
227.05191	6.1
247.65425	0.9
271.04248	11.0
310.14920	0.9
318.09460	10.7
342.09448	2.1
360.10486	28.6
404.09491	100.0
405.09534	4.7
408.17230	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1482
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63279	1.0
52.97551	1.3
53.24871	1.0
55.01870	2.5
56.05033	1.7
57.03430	2.4
58.99578	20.5
60.04509	1.6
67.05499	2.8
69.03426	1.5
69.07051	7.2
70.06582	2.0
70.91797	1.1
71.62916	2.5
74.06066	2.3
76.02222	98.2
76.03992	4.6
77.05927	1.2
79.05489	9.7
80.05001	1.6
81.03405	1.7
84.04494	36.8
84.08131	2.3
85.02869	2.6
86.09701	4.1
86.99046	4.8
88.02199	1.6
91.05476	1.2
97.02885	2.1
97.06525	100.0
98.06865	1.4
102.05497	1.4
114.03716	1.5
116.00936	2.3
116.01672	22.7
119.24844	1.2
129.03691	3.8
130.05008	19.7
142.03192	13.1
144.01163	11.9
147.04350	1.4
162.02193	42.4
170.02724	2.7
172.50084	1.5
179.04843	76.5
180.05161	1.6
187.05385	2.3
207.06555	2.6
215.04837	2.0
215.52461	1.2
223.02916	1.3
225.07721	1.7
230.08823	1.4
233.05893	22.0
245.05931	4.5
275.10568	2.7
287.11124	2.0
291.06491	2.7
308.09082	25.4
404.15204	25.5
405.14395	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.0949
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80199	0.5
55.95713	0.6
56.05015	0.9
69.03429	0.8
70.06580	4.0
70.47150	0.5
70.70302	1.8
72.08143	1.7
79.01529	0.5
81.03399	0.9
84.04499	0.7
84.08121	2.0
85.02902	0.9
86.09697	3.5
91.05434	0.6
97.02860	0.8
98.97540	0.8
105.03362	0.6
107.04906	0.6
109.02814	0.5
110.07177	0.9
116.04890	0.7
120.08085	1.5
126.50468	0.5
127.00055	1.2
129.03108	0.7
129.10266	1.0
137.06003	1.1
143.29265	0.6
170.70886	0.5
201.00702	0.6
215.56796	0.5
224.82349	0.6
224.95599	0.6
227.05247	3.2
233.15140	0.6
254.06718	0.6
271.04230	15.0
279.49335	0.5
291.06592	1.3
298.05399	1.3
300.08295	1.3
306.08694	0.6
309.07507	0.7
316.23050	0.5
318.09442	2.6
331.23062	0.5
349.10675	0.6
359.09009	0.8
360.10504	16.1
361.11118	1.2
377.08548	3.3
387.08533	2.8
404.09494	100.0
405.04785	0.8
405.09814	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	403.2476
Annotation	Macrolactin I
Peak:m/z	Relative Intensity
55.01861	14.0
55.05506	85.0
57.03433	2.9
60.33969	2.7
65.03920	3.7
67.05497	45.2
69.03410	8.6
69.07060	19.6
71.04955	3.0
71.75631	3.9
71.75997	3.1
78.28687	3.6
79.05488	58.7
81.03416	5.5
81.07047	48.3
83.04987	5.6
83.08625	30.6
83.36098	3.2
85.02914	3.6
87.04411	3.2
91.05469	24.6
93.07030	18.3
95.04955	4.8
95.08591	10.1
97.10162	59.3
101.22102	3.1
103.05458	18.8
105.03379	7.7
105.06998	25.2
106.07408	3.4
107.04955	3.1
107.08581	35.5
109.10143	7.8
111.08099	5.0
115.05459	9.2
117.06992	34.0
119.08571	8.3
121.06519	4.2
121.10091	4.6
125.09621	51.5
128.06178	5.2
129.01802	3.5
129.06996	23.2
131.04890	14.3
131.08553	17.9
133.06493	5.8
134.88599	2.8
135.08040	11.9
141.06946	8.5
143.08554	12.3
145.06479	16.8
145.10114	9.6
149.09596	4.5
153.09068	7.3
155.08531	12.0
157.06461	4.0
157.10065	6.5
159.11694	6.2
163.96782	3.0
167.08479	4.0
169.10124	7.3
171.10172	5.8
171.11647	4.8
181.10133	4.1
185.13176	5.5
187.14856	9.7
189.11195	44.6
195.11659	8.6
197.13231	19.3
209.13205	3.7
213.12711	11.3
215.14279	92.4
223.11217	10.5
231.13725	5.8
233.15350	4.1
241.12207	13.5
256.51239	3.2
259.13281	5.7
271.16742	3.2
321.22064	6.1
331.20319	3.0
339.22961	7.5
349.21655	30.3
367.22644	100.0
368.23035	6.3
385.23672	60.9
385.28244	5.1
386.23801	4.7
403.24670	18.1
404.16772	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.2475
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	17.1
55.05239	5.4
55.05505	100.0
65.82294	4.6
67.05501	42.6
69.03432	5.5
69.07063	21.4
71.73324	5.0
77.64829	5.9
79.05486	61.6
81.07047	47.9
83.04980	10.8
83.08624	38.1
85.06514	5.0
87.04459	5.0
91.05467	26.8
93.07040	23.2
95.04946	5.9
95.08587	16.5
96.26566	4.3
97.10162	55.0
103.05437	16.6
105.03371	5.6
105.07011	20.4
107.04906	5.3
107.08590	40.7
109.06502	6.1
109.10131	14.0
115.05453	8.8
117.07026	26.8
119.08553	13.8
121.10154	6.8
125.09606	54.9
128.06163	6.7
129.01768	5.2
129.07016	28.8
131.04877	11.8
131.08562	21.7
133.06471	5.4
133.10112	4.9
135.08043	10.6
135.11746	5.1
141.06934	8.2
143.08487	6.8
145.06480	14.8
145.10075	8.9
147.11716	4.6
153.09119	9.5
155.08536	11.2
157.10120	6.8
165.07004	6.1
167.08731	5.0
169.10132	8.7
179.08777	6.2
181.10027	6.0
183.11583	5.0
185.13239	7.4
187.14795	13.4
189.11162	42.8
195.11723	8.6
197.13260	16.4
213.12791	10.9
215.14290	80.6
215.16214	7.6
223.11160	8.5
231.13884	5.1
241.12236	11.7
321.22073	4.9
339.23019	7.4
347.71625	4.7
349.21393	21.8
367.22607	95.1
368.22824	7.8
385.23752	54.9
403.24750	24.9
406.06735	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	403.2474
Annotation	Macrolactin F
Peak:m/z	Relative Intensity
53.03939	4.1
55.01867	8.4
55.05505	75.8
57.03410	3.2
59.04982	2.7
63.66485	2.2
67.05138	2.7
67.05495	43.4
69.03427	9.0
69.07058	21.7
70.06568	2.7
71.04987	1.9
72.25125	2.2
79.05482	44.2
81.03401	2.1
81.07044	38.1
83.04966	7.1
83.08605	37.8
85.06550	2.6
91.05476	25.8
93.07024	19.6
95.04981	5.2
95.08585	11.5
97.10163	65.3
103.05450	13.0
105.03387	3.0
105.07040	19.2
107.04931	5.2
107.08567	28.7
109.06522	5.9
109.10139	7.9
111.08103	2.5
115.05434	6.9
115.31597	2.3
117.07002	30.6
119.08569	10.2
121.06489	3.5
121.10130	3.7
124.77798	2.0
125.09618	52.3
128.06209	6.5
129.01817	3.2
129.07016	18.7
131.04913	11.5
131.08563	23.3
133.06470	7.0
133.10129	5.7
135.08061	11.0
136.00046	2.2
141.07010	10.2
142.07806	2.5
143.04919	3.8
143.08525	13.5
143.10646	3.9
145.06453	15.4
145.10104	8.9
147.08055	2.7
149.09567	4.5
153.09105	6.2
155.08589	10.0
157.06485	5.0
157.10152	6.2
159.08080	5.9
159.11716	4.3
165.06975	2.5
167.08571	4.9
169.10118	7.8
171.08011	5.7
171.10201	3.8
171.11655	7.0
173.09645	2.8
173.11729	2.6
181.10156	3.3
183.11624	3.2
185.13202	2.5
187.14857	17.0
189.11195	57.1
189.12833	4.0
193.10254	2.2
195.11696	5.5
197.13266	16.4
209.13219	3.2
213.12743	6.2
214.42593	2.2
215.14281	100.0
216.14526	3.5
222.74001	2.0
223.11188	3.7
225.12675	2.6
231.13741	4.1
233.15337	8.5
237.12714	2.3
241.12148	10.9
257.15262	3.5
259.13202	7.9
280.34048	2.6
315.02942	2.6
321.21970	3.6
331.20639	2.8
333.89932	2.1
339.23138	10.5
349.21490	22.9
357.24414	2.8
367.22632	72.6
368.22897	4.3
385.23706	65.8
386.24026	4.4
403.24722	63.5
404.25162	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	403.2477
Annotation	Macrolactin F
Peak:m/z	Relative Intensity
53.03921	5.0
53.24285	4.7
55.01855	7.4
55.05503	86.2
56.37835	4.2
66.33893	4.0
67.05505	35.9
69.03427	7.0
69.07046	19.7
71.75356	5.8
79.05485	41.9
81.07053	35.0
83.04975	6.9
83.08624	31.3
91.05467	27.3
93.07030	17.9
95.08579	13.9
97.10164	59.2
99.34687	4.4
103.05439	10.8
105.07021	22.0
107.08569	25.8
109.10151	8.9
115.05415	6.1
117.07025	28.4
119.08546	10.5
125.09627	53.3
129.01794	6.8
129.07024	23.4
131.04916	11.5
131.08525	27.3
133.06464	11.0
135.08086	7.8
139.45641	4.7
141.07008	10.7
143.08540	8.9
145.06500	28.6
145.10130	10.1
149.02234	4.4
155.08527	12.0
157.06612	5.6
157.10112	7.6
167.08557	4.5
169.10098	5.5
185.13193	5.3
187.14839	15.0
189.11197	53.8
195.11700	5.9
197.13263	17.8
213.12624	7.3
215.14288	100.0
216.14786	6.1
233.15279	11.1
241.12172	6.9
259.13358	7.1
275.79568	4.7
339.23160	7.7
349.21692	24.3
367.22665	71.7
385.23718	65.0
403.24762	69.8
403.29541	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	403.1596
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	4.4
55.01876	1.4
55.05503	1.2
56.05035	1.2
57.03417	2.2
57.67812	0.7
62.24973	0.7
69.03398	2.6
70.06576	3.3
70.87863	2.2
71.15504	0.7
72.08143	6.3
74.06067	0.8
79.05472	6.5
81.03409	19.4
81.07044	1.0
83.04992	4.6
84.04476	1.4
84.08121	3.2
85.02916	1.8
86.09698	8.9
87.05589	0.9
88.03993	1.0
91.05462	17.1
93.07032	12.5
95.04958	2.2
99.04446	4.1
101.07107	0.7
102.05531	0.9
105.07030	3.3
107.04930	3.9
107.08572	7.8
109.02859	8.4
109.06517	1.2
110.07146	1.5
115.05448	2.7
117.07004	100.0
118.07354	2.7
119.06065	0.9
119.08571	8.9
120.08067	1.7
121.06497	8.2
121.10132	2.3
123.04423	3.2
125.05980	1.5
127.03929	1.5
129.10193	2.0
131.08553	14.0
132.80682	0.8
133.06488	1.9
133.10100	1.3
135.08025	16.5
145.02856	0.8
145.04945	1.2
145.06477	2.6
149.09593	10.2
153.05429	1.8
159.08014	8.0
161.05965	2.8
161.09521	1.5
163.07529	22.2
171.11348	0.9
177.09091	27.6
178.09317	1.4
179.10667	2.0
181.08620	2.4
182.16518	0.7
187.07533	1.8
195.10136	22.4
196.10425	1.0
205.08575	18.6
206.08948	0.8
215.13887	0.7
223.09592	12.3
241.10704	11.0
306.01938	0.8
367.13889	5.0
385.14972	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	403.2472
Annotation	Macrolactin F
Peak:m/z	Relative Intensity
53.03928	4.1
55.01855	6.1
55.05511	21.8
57.03433	10.3
57.07075	4.1
57.44460	1.8
63.00973	1.7
63.29951	1.8
67.05504	30.3
69.03407	12.1
69.07063	17.2
71.01355	2.2
71.04976	5.4
71.75493	3.4
73.02905	5.3
79.05485	33.7
81.03399	14.1
81.07048	40.6
83.04969	8.3
83.08624	12.4
85.02886	4.5
85.06499	3.4
85.10093	2.0
91.05476	41.5
93.07035	33.5
95.04967	11.9
95.08603	26.3
97.02877	6.9
97.06496	6.1
97.10152	4.1
99.04446	3.7
99.08054	2.0
101.05957	2.1
105.03386	2.2
105.07018	39.1
107.04967	6.0
107.08575	15.0
109.02868	3.1
109.06491	6.8
109.10125	11.3
111.04440	4.9
111.08096	3.9
113.02401	2.9
115.05443	7.7
117.07008	31.3
119.04916	3.0
119.08568	33.1
121.06484	7.3
121.10123	9.9
123.08028	2.8
125.09613	2.0
125.24847	1.9
128.06169	10.7
129.05475	2.2
129.07002	26.0
130.07822	3.7
131.04913	3.1
131.08548	40.1
133.06483	8.5
133.10114	21.1
135.08055	8.0
135.11653	5.4
137.05997	2.1
141.06949	9.8
142.07777	7.2
142.14919	2.3
143.08546	24.2
145.06497	9.8
145.10107	34.6
147.08028	8.7
147.11665	11.9
149.05946	2.7
149.09682	3.0
149.13300	3.8
151.07507	2.7
153.06929	2.3
154.07730	3.5
155.08531	17.1
156.09276	3.6
157.06503	4.8
157.10094	24.6
159.08060	7.8
159.11693	23.8
161.09628	6.6
161.13258	6.0
163.11212	3.7
165.06949	3.6
166.07817	3.1
167.08553	6.0
168.09410	3.0
169.10057	15.6
171.08095	8.1
171.11688	18.2
173.06038	2.3
173.09683	9.8
173.13225	13.3
175.11221	5.9
175.14796	3.4
179.08562	3.1
180.06400	2.1
181.10143	7.4
183.08034	6.0
183.11690	10.0
185.09648	7.9
185.13213	13.0
187.11185	8.9
187.14790	5.2
189.12709	3.3
191.08458	2.3
195.11661	8.4
197.09558	5.8
197.13278	8.8
199.03943	2.4
199.11130	5.3
199.14780	5.4
201.12694	5.7
207.54399	2.1
209.09595	2.8
209.13269	8.2
211.11118	3.1
211.14848	4.0
213.12814	5.4
215.10536	2.3
215.14320	2.8
217.12173	2.2
223.11127	4.9
223.14749	2.6
225.12775	3.2
227.14336	3.4
229.12271	3.0
229.19557	2.3
235.14902	2.2
239.18037	2.8
241.08580	2.1
241.11986	2.2
255.17442	2.3
257.19031	6.6
265.19586	2.1
267.21069	2.2
269.15402	2.7
269.18860	4.4
271.20584	8.4
275.20053	8.4
283.20642	5.2
287.20102	3.5
289.21640	4.4
295.20364	2.7
299.20044	3.3
301.21634	5.8
311.20081	3.7
313.21646	10.4
321.22116	2.5
325.21579	6.4
329.21063	4.9
337.21719	3.6
339.23233	9.2
343.22537	9.4
345.06061	2.4
349.21622	7.3
357.24197	7.4
367.18896	2.3
367.22699	36.6
368.23358	3.2
375.25143	3.9
385.19397	4.3
385.23782	45.7
386.24030	4.8
400.97379	2.1
403.10211	14.0
403.24792	100.0
404.10226	2.4
404.25201	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	403.1385
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.0
55.01860	7.4
55.05494	7.8
57.03424	12.1
64.79171	1.9
65.03915	3.6
67.05489	8.7
68.99784	5.5
69.03424	99.4
69.07050	5.2
69.56361	14.3
70.03735	2.9
70.06591	3.5
71.04988	41.1
73.02930	1.9
73.27299	1.6
79.05481	9.9
81.03403	9.0
81.07056	17.2
83.04979	3.0
83.08591	2.7
84.04546	2.2
85.02897	66.0
89.02240	1.8
91.05479	15.4
93.03382	2.3
93.07019	7.9
95.04981	9.0
95.08591	9.8
97.02895	3.5
97.06513	2.8
99.04417	3.6
100.11241	7.6
103.05457	13.7
105.07040	10.0
107.04913	10.0
107.08574	6.5
109.02862	9.2
109.06501	3.0
109.10123	7.1
111.04427	9.1
111.08115	2.4
115.05457	2.4
117.06999	3.4
119.08568	3.7
121.02848	5.7
121.06499	4.2
121.10118	6.1
123.04398	6.9
123.08048	2.1
123.11686	4.6
125.02313	4.9
125.05996	9.6
125.09618	3.3
127.03855	3.0
129.05450	6.4
129.06921	3.2
131.04904	46.2
133.10080	5.4
135.04407	31.2
135.11693	3.2
137.02328	2.5
137.05959	14.3
137.61714	2.0
138.77347	1.9
139.03896	2.4
141.01819	4.4
143.08591	2.5
145.02835	2.7
145.06406	3.4
145.10078	2.6
147.04332	4.2
149.05928	5.7
149.09576	2.5
151.03905	9.8
151.07500	2.3
153.01793	16.6
153.05412	5.8
154.12206	4.8
159.04366	4.1
159.11792	2.3
161.05933	2.7
163.03880	8.7
165.01804	35.5
165.09085	13.0
167.03445	2.5
167.07031	14.8
171.02861	5.9
173.05914	2.4
177.01804	10.4
177.05426	13.8
179.03435	4.5
181.04951	22.8
182.15361	2.1
183.02881	28.7
185.13261	2.6
189.01776	2.6
189.05382	4.1
191.03355	23.8
191.06967	2.9
195.02876	100.0
203.03325	13.6
205.01398	2.8
207.02843	6.4
207.06480	2.4
209.04419	2.4
210.15002	4.5
213.03838	3.1
217.04915	11.4
219.02875	26.9
219.06276	4.6
221.04395	15.1
221.08078	2.9
235.05978	3.4
237.03900	6.7
245.04431	61.3
257.08078	28.0
263.05502	38.7
264.05875	2.4
269.08029	32.7
281.07907	8.6
295.09634	3.4
299.09131	46.5
305.07819	1.8
307.09653	8.9
311.08994	2.0
323.05304	2.9
323.09088	51.1
325.10617	2.5
349.10660	42.2
350.10901	2.9
367.11743	88.2
368.12122	3.3
373.12851	2.7
385.12747	12.5
403.13770	39.6
403.22525	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	403.1094
Annotation	Unknow
Peak:m/z	Relative Intensity
55.02981	0.5
56.96534	0.4
57.03422	2.4
58.23965	0.4
60.05632	0.4
67.17108	0.4
69.03417	1.2
70.06586	2.3
70.31197	1.5
72.08163	1.1
73.02906	0.9
74.06078	2.7
78.10110	0.4
84.04494	0.5
84.08141	0.7
85.02883	1.3
86.09674	1.1
97.02889	0.9
98.97553	0.9
104.82724	0.4
110.03519	7.7
112.08746	0.5
112.17917	0.4
115.03928	1.2
116.98549	0.5
124.05079	2.8
127.03934	0.4
127.05069	0.7
128.04555	1.4
133.04947	1.3
135.02989	0.9
136.01416	0.9
142.06108	0.6
147.04410	0.6
150.02977	1.8
151.03783	0.5
152.04546	1.1
153.04065	100.0
154.02466	12.7
154.04431	1.0
165.04079	1.1
166.04889	0.5
166.06093	2.2
167.05653	7.5
167.06976	0.4
175.11925	0.6
176.04578	0.7
177.00606	0.5
177.04092	0.6
182.05620	3.8
183.05115	3.3
185.08112	0.4
192.04059	0.5
193.03560	7.0
194.02084	0.4
195.05133	1.3
207.05165	0.5
209.06665	5.3
211.04555	2.5
219.05013	0.6
225.06171	17.9
226.06554	0.5
235.04576	1.2
237.73085	0.4
239.04100	26.0
240.04228	0.4
241.05711	1.0
253.05681	2.7
271.06720	89.7
272.06955	1.8
288.20233	0.5
302.05542	0.6
335.25861	0.4
337.07837	1.0
340.75851	0.4
365.01913	0.4
403.10916	1.0
403.22818	2.2
404.09128	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.138
Annotation	Nobiletin
Peak:m/z	Relative Intensity
55.02047	0.3
55.05466	0.4
58.07987	0.3
67.05443	0.5
68.99724	1.1
69.03363	0.9
70.19318	1.6
81.03347	0.3
84.04720	0.3
85.84730	0.3
91.05392	0.6
95.08498	0.6
98.20773	0.6
99.04386	0.8
102.76425	0.3
127.03887	2.2
132.36639	0.3
137.02257	0.4
139.00214	0.4
147.04327	0.3
148.05139	0.6
155.03217	0.3
162.06654	0.8
163.07506	2.8
165.01669	0.5
165.05473	4.1
168.00496	0.6
169.01234	1.0
183.02881	14.6
186.01485	1.0
186.06685	0.4
189.05377	0.4
193.01279	0.6
211.02353	8.4
215.06934	0.4
228.07724	0.3
228.49608	0.3
229.03423	2.5
231.06471	0.9
243.06604	0.4
244.07236	1.3
245.80684	0.3
246.08902	0.6
257.07877	0.7
258.05231	3.8
259.06003	3.3
269.04529	0.7
269.07959	0.3
271.06100	0.4
272.06790	0.6
273.07434	0.7
274.08212	0.5
277.07028	0.6
278.07629	0.3
284.06781	1.0
285.07510	0.4
287.05475	0.5
297.04016	0.6
297.07330	0.5
299.05850	0.5
299.09024	2.3
301.03766	0.6
301.07028	7.0
302.07642	1.3
311.05420	0.9
312.06247	2.3
313.07043	3.1
314.04132	0.4
315.04941	3.3
325.03299	0.8
327.05099	0.7
327.08575	9.2
328.08911	0.5
329.06512	6.1
330.07288	6.9
341.10291	0.7
342.10721	0.4
343.04477	1.6
343.08112	0.7
345.06143	0.5
345.09705	3.3
355.08075	5.8
357.05872	1.9
357.09711	1.3
358.06726	6.1
359.11151	0.7
369.09775	0.7
372.08295	0.5
373.09140	89.1
374.09549	3.4
385.19574	0.4
387.10690	1.3
388.11493	12.6
389.12057	0.5
403.13840	100.0
404.14026	4.0
408.33331	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1022
Annotation	Cerarvensin
Peak:m/z	Relative Intensity
55.01876	2.9
55.05489	0.6
61.02892	0.7
65.03901	0.8
67.05482	0.7
68.99773	2.1
69.03400	1.1
69.92146	3.0
79.01886	0.5
79.05455	1.6
81.03391	0.6
81.06997	0.5
83.08617	0.5
90.31010	0.5
91.05440	1.6
92.99732	0.7
93.03386	0.8
95.04958	0.7
95.57612	0.5
97.02878	0.7
98.20698	0.8
105.03378	0.5
107.04927	1.1
107.08585	0.8
109.02855	0.6
111.04385	0.8
119.04936	4.5
121.02861	16.6
131.04903	1.6
133.02715	0.6
133.10097	0.7
135.04370	0.9
137.02321	1.4
141.01790	1.6
145.02831	5.3
147.04326	0.8
149.02301	1.9
151.03883	0.6
153.01892	0.5
154.84032	0.5
159.04306	0.7
161.02267	0.5
163.03888	6.0
165.00444	0.9
165.01823	15.5
167.03442	3.4
169.02771	0.5
175.03879	2.0
177.01768	1.4
179.03441	2.5
181.04909	1.4
183.02870	5.7
187.03877	1.8
189.01738	0.9
190.84737	0.4
191.03313	1.5
193.04938	1.7
195.02844	1.8
203.03407	4.8
207.02882	1.4
208.40620	0.5
210.72112	0.5
221.04385	1.9
229.04994	2.5
231.02884	2.3
239.07034	1.2
242.05719	0.6
249.03860	1.3
255.06511	1.3
256.07220	0.5
264.04172	0.5
267.06558	6.1
269.04697	0.6
269.07980	0.6
270.05319	2.8
270.07721	0.5
271.05988	5.9
273.03806	0.8
275.91229	0.5
279.06485	4.0
281.04706	0.8
281.08038	7.7
282.08600	0.6
283.05984	90.5
284.06662	11.9
292.10046	1.2
293.08063	4.8
295.05981	13.6
296.06290	1.0
297.04269	0.8
297.07516	14.9
298.07706	0.7
303.06262	0.6
305.07993	1.5
307.05856	3.9
308.06616	1.3
309.04108	1.4
309.07535	21.2
310.07800	1.2
311.05695	0.8
311.08984	3.3
313.07037	49.0
314.07303	1.8
320.06763	1.1
321.07553	37.7
322.07898	2.1
323.05307	0.9
325.07080	7.2
331.05957	0.7
337.07031	41.5
338.07474	2.7
339.08606	3.6
339.13635	0.6
349.07034	31.0
350.07254	1.8
359.16064	0.5
367.08099	100.0
368.08490	5.5
385.09158	14.2
386.09259	0.8
403.10147	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	402.2844
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17420	4.6
55.01849	6.5
55.05505	42.3
55.43930	4.6
56.96556	7.0
57.03421	8.6
58.94655	4.8
67.05490	39.4
69.03416	6.6
69.07045	16.0
70.06576	12.3
71.74686	8.9
72.08141	5.9
73.32719	5.0
76.12968	5.0
79.05485	38.2
81.03412	10.9
81.06609	6.9
81.07043	78.9
83.04959	10.4
83.08601	18.2
85.02885	5.2
91.05454	35.2
93.07034	24.7
95.04953	11.7
95.08598	30.6
97.06535	9.6
97.10140	12.0
105.06998	37.8
107.04971	14.4
107.08569	25.4
109.06502	25.7
109.10120	15.4
111.08052	4.8
117.07002	21.7
119.08590	25.5
121.06448	4.9
121.10093	11.2
123.08041	8.6
125.09624	16.5
129.06973	15.8
131.04880	10.1
131.08554	23.0
133.10121	19.0
135.08009	6.7
143.08543	11.4
145.06439	18.4
145.10075	12.9
147.11661	10.8
149.09593	7.2
149.13185	8.6
156.09322	5.6
183.08434	5.8
187.14870	8.3
189.11157	8.6
197.13203	6.7
215.14305	19.9
247.20564	6.3
275.20026	52.4
293.20938	11.8
296.10034	8.3
313.84976	6.3
316.11658	12.8
316.32565	5.1
349.23886	49.6
367.25165	36.6
385.23523	22.4
403.19897	7.8
403.24805	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1022
Annotation	Cerarvensin
Peak:m/z	Relative Intensity
55.01871	4.9
55.05502	3.0
60.11589	0.9
65.03943	1.8
67.05507	1.8
68.99808	1.5
69.03419	3.2
69.07053	1.5
70.06581	2.7
71.04951	1.5
71.28031	2.1
71.28378	1.9
72.08145	1.7
79.05484	3.4
81.03403	2.4
81.07066	5.0
82.08202	1.0
83.04962	1.7
84.08138	1.6
85.02887	2.1
86.09678	2.5
91.05492	5.8
93.03379	1.2
93.07028	3.4
95.04976	2.1
95.08604	4.6
97.02874	2.9
99.08132	1.1
103.05450	2.2
105.07022	2.9
107.04937	1.6
107.08598	5.7
109.02857	1.5
109.10134	2.0
111.04458	2.1
117.07034	1.3
119.04935	5.4
119.08590	1.1
121.02851	17.2
121.06499	1.1
121.10134	1.9
123.04424	1.4
125.09673	1.6
127.03925	1.3
131.04941	2.4
133.10118	1.8
135.04396	1.1
136.28404	1.0
137.02316	1.4
137.05952	5.7
137.09608	1.0
141.01790	1.7
145.02841	6.7
145.10129	1.7
147.04408	1.4
147.11673	1.2
149.02397	1.4
151.03899	2.7
153.05489	1.9
155.08662	1.1
161.05888	1.3
163.03862	8.9
163.07509	1.6
165.01834	14.4
167.03346	2.2
167.07007	4.3
175.03893	2.6
177.01978	1.1
177.05423	1.6
177.16330	2.2
179.03387	2.2
181.04932	5.8
181.06389	1.8
183.02879	6.4
186.54890	0.9
187.03729	1.4
187.14787	1.1
189.01746	1.0
191.03435	1.5
194.05699	1.1
195.02895	2.2
203.03409	3.9
205.08598	1.2
205.15936	2.8
207.02896	1.4
221.04498	1.2
223.13280	1.3
223.16913	3.2
225.11259	1.3
229.04977	3.2
231.02849	2.3
241.14320	1.8
253.08727	1.3
253.12300	1.0
267.06567	7.2
270.05194	3.2
271.05960	6.4
273.03860	1.7
279.06445	2.5
281.08072	12.7
283.05988	95.5
284.06577	14.0
293.08084	4.2
295.05984	15.1
297.04141	1.4
297.07565	12.9
299.05557	1.1
305.08096	2.8
307.05960	4.5
308.06802	1.1
309.04025	2.1
309.07556	33.4
310.07895	1.9
311.05859	1.2
311.08966	4.9
313.07047	52.9
314.07379	3.4
321.07562	42.7
322.07877	3.3
325.07013	9.1
337.07031	66.1
338.07251	4.7
339.08667	4.7
349.07034	32.4
350.07306	2.3
367.08105	100.0
368.08298	7.7
375.08563	1.1
385.09167	14.1
385.21835	1.1
386.09540	1.6
403.09967	13.9
403.14435	3.0
403.18698	1.7
403.23154	1.4
404.09454	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
55.93526	4.3
56.96554	3.7
57.03439	7.9
61.02924	9.6
69.03428	21.8
69.07047	3.4
70.06589	17.4
71.04999	4.4
71.71417	3.3
72.08157	19.2
72.93784	6.0
73.02899	6.2
79.05479	3.0
81.03418	9.0
81.07041	3.2
84.04482	5.9
84.08131	18.0
85.02902	100.0
86.09705	9.7
87.04470	6.0
88.96893	3.2
90.94794	7.3
91.03976	6.6
91.05466	3.0
92.05006	3.8
97.02881	23.6
99.04467	3.8
107.04936	4.7
109.02892	8.7
110.05994	3.7
110.07169	3.6
116.07101	3.8
119.04897	4.7
127.02136	3.9
127.03904	27.0
129.10263	5.2
132.95802	5.1
136.06187	7.4
138.29953	3.5
140.07104	6.4
144.95847	2.9
145.04967	45.6
147.04428	10.8
147.07768	3.7
150.05399	3.0
153.04086	6.6
158.97458	3.9
162.09117	3.3
162.96880	3.0
163.06017	18.0
176.98410	7.4
178.99698	3.5
181.04939	4.8
185.98468	7.3
192.21268	4.0
194.02803	2.9
194.04526	11.8
200.14169	2.9
204.10226	5.1
209.92409	3.1
222.04001	17.1
228.42371	3.1
234.99007	5.8
240.05040	6.2
240.12236	7.8
241.05582	5.9
256.06357	8.0
258.00604	10.1
271.06778	4.1
276.01498	4.9
282.00620	6.6
300.01675	10.3
336.01401	4.2
359.47311	3.4
371.19156	3.4
402.04883	42.2
402.24954	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	402.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	2.9
56.96545	2.1
57.03419	4.5
60.04529	1.6
61.02922	8.0
61.94828	1.3
69.03427	17.7
69.77672	3.5
69.78077	7.1
70.06580	13.6
71.04976	4.4
72.08140	4.3
72.93776	1.3
73.02908	4.6
74.06094	2.0
81.03407	6.5
81.07035	1.9
84.04472	1.4
84.08131	6.8
85.02898	100.0
86.09685	5.1
87.04443	2.6
91.03928	5.8
91.05468	1.7
92.04990	4.1
97.02890	25.5
98.21419	2.7
98.97564	1.7
99.04433	5.1
109.02883	7.3
110.06049	6.4
112.08733	2.2
119.04968	1.9
127.03905	27.2
129.10185	3.5
145.04947	51.8
145.06093	3.1
147.04387	4.3
153.04053	10.7
157.76447	1.3
163.05995	17.3
169.81432	1.4
181.05098	1.6
194.11703	1.6
223.11732	2.7
237.02710	1.5
239.04010	1.5
240.12386	1.8
241.05615	2.9
256.06317	1.9
258.00708	1.3
271.06808	6.9
279.01456	1.3
300.84064	1.6
402.04572	1.8
402.13623	3.2
402.21014	5.6
402.24768	5.4
403.15244	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.2897
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67596	0.7
52.88947	0.7
53.03947	3.2
55.01870	1.3
55.05509	15.7
57.03435	4.7
57.07072	100.0
61.02924	0.8
67.05501	37.2
69.03427	24.8
69.07063	20.7
69.78471	5.5
71.01350	1.2
71.04979	3.5
71.08628	74.5
72.08983	1.0
73.02914	1.4
79.05493	2.4
81.03418	25.1
81.07053	48.9
83.08616	38.4
85.02903	28.4
85.06538	1.7
85.10176	44.2
89.06049	1.2
93.07063	2.4
95.08603	69.5
96.08971	1.2
97.02891	14.4
97.10167	16.4
99.04446	10.1
99.08125	1.1
99.11745	4.0
101.02396	1.1
103.07572	0.9
105.22475	0.7
109.02872	12.1
109.10154	34.7
111.11709	5.6
111.86695	0.8
113.13323	2.1
123.11699	16.5
125.13285	3.7
127.03907	22.1
127.14886	1.1
137.13255	9.6
139.14845	2.3
145.04977	7.9
151.14809	4.0
165.16479	2.7
170.89505	0.8
177.12860	0.8
179.18042	0.7
197.37910	0.7
220.33658	0.7
221.22633	5.5
222.73055	0.6
228.43971	0.6
239.23701	44.3
240.24187	1.7
257.24951	2.8
332.80640	0.8
341.27011	2.4
341.42551	0.7
345.98853	0.9
383.27890	10.0
401.29156	3.3
401.37576	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.1296
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05033	2.4
69.03429	1.7
69.50297	6.3
69.50699	3.1
70.06583	7.9
72.08119	1.2
75.01577	0.9
81.07044	2.1
84.04487	1.2
84.08133	3.0
85.02900	1.2
86.09700	6.9
91.05470	1.7
97.02873	1.5
107.04935	1.3
108.69253	1.2
116.07080	4.6
120.08111	1.2
130.06590	1.2
140.04933	3.8
142.06512	1.0
146.06100	1.3
147.11713	1.1
154.06544	2.7
155.06030	20.6
167.05940	5.9
168.06863	3.0
169.06151	1.9
169.07605	40.1
170.06000	2.3
179.06050	12.7
181.05057	1.6
181.07616	4.6
182.05939	2.8
182.08327	1.6
183.05521	16.7
183.09113	2.1
184.07588	1.8
185.07068	11.4
193.07556	11.5
194.06020	2.0
195.05524	30.4
195.09227	1.8
196.06305	15.3
197.07091	25.1
198.05489	6.6
199.05038	1.1
199.42154	1.1
201.06628	2.3
205.07533	1.2
207.05489	8.1
208.06343	2.2
209.07071	5.0
210.07910	1.2
211.04991	2.1
211.08635	6.4
213.06570	24.5
214.06989	1.2
215.11603	1.2
220.06366	1.1
221.07079	22.9
222.07712	1.5
223.05014	2.6
223.08676	2.6
225.06572	50.8
226.06950	2.2
227.08182	3.3
229.06070	21.6
229.15428	1.3
237.06558	4.4
238.07372	6.0
239.04471	4.0
239.08154	25.2
240.08455	1.1
241.06100	4.0
243.07639	4.8
249.06526	8.2
251.08267	5.0
253.06126	5.1
255.07672	3.1
257.05511	6.6
265.06058	2.4
266.06870	1.8
267.07639	18.6
269.05536	4.1
269.09198	3.5
271.07120	34.0
271.09930	1.9
272.07550	1.6
277.06116	11.3
277.08994	1.6
279.07617	4.5
283.06927	2.3
285.08682	31.7
286.08978	1.7
295.07104	38.2
296.07391	2.5
296.10406	1.6
297.08667	2.4
313.08157	42.4
314.08649	1.8
315.09610	3.2
316.08905	1.7
320.09943	1.1
331.09033	6.8
334.53299	1.1
338.11526	7.5
342.10825	63.1
343.11148	3.4
356.12369	10.9
366.10919	3.1
384.11877	62.0
385.12329	2.4
402.12939	100.0
403.13425	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	401.1801
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	11.6
55.01861	26.0
55.05492	21.5
57.03426	8.5
61.02913	12.9
65.03938	6.3
67.05483	37.1
68.99792	12.4
69.03426	52.9
69.07068	27.8
69.48373	57.2
70.06581	69.4
71.01364	6.4
71.04964	18.7
72.08144	31.8
73.02906	6.8
79.05483	48.3
81.03405	69.0
81.07050	100.0
83.04942	19.5
83.08620	10.9
84.04485	10.7
84.08128	25.0
85.02888	82.3
85.06525	13.2
86.09693	63.4
87.00829	39.6
91.05479	32.3
93.07058	42.4
95.01317	8.2
95.04956	37.9
95.08583	29.7
97.02872	41.1
97.06534	30.8
98.21483	12.4
99.04420	19.9
103.05480	12.9
105.01843	22.9
105.07009	56.2
107.04934	16.8
107.08597	41.3
109.02864	39.4
109.06513	35.5
109.10158	32.6
110.07241	6.4
111.04404	13.0
112.08766	5.2
115.03872	10.2
117.06998	13.4
119.04890	6.9
119.08574	77.3
120.08106	19.4
121.06518	14.1
121.08430	10.8
121.10120	23.0
122.10441	6.9
123.04410	94.4
123.08039	7.0
123.11649	8.9
125.06010	9.9
127.03891	37.7
129.01805	20.8
129.05460	6.9
129.06973	7.4
129.10237	16.4
131.04953	9.2
131.08533	11.5
133.06468	9.7
133.10095	18.9
135.08041	14.2
135.11673	34.3
137.05946	24.6
137.09612	22.1
141.05406	6.0
142.07710	7.3
143.08516	13.1
145.04984	9.0
145.06624	6.3
145.10114	44.1
147.02892	8.7
147.08028	6.6
147.11676	13.2
149.05943	15.5
151.07550	22.3
151.11153	7.3
153.12750	15.6
155.08537	12.1
157.10095	25.0
159.02933	12.0
159.07991	9.1
159.11700	27.4
161.06007	11.6
163.11154	11.0
165.07083	6.5
165.09128	8.1
165.66678	5.0
167.07065	9.7
167.08598	6.6
171.11604	9.3
173.09624	5.7
175.11107	13.4
177.05453	5.4
177.12654	7.7
179.06993	19.6
181.06406	6.0
183.11569	6.2
189.03925	9.5
193.12233	8.4
195.07858	7.2
197.08058	6.9
201.12636	15.4
207.11522	8.3
207.13701	6.4
208.11609	12.5
219.13739	10.5
225.12660	15.5
243.13773	15.3
252.09624	8.1
255.08046	6.0
261.14816	13.8
263.35257	7.3
281.09628	11.2
315.10294	8.5
326.09415	7.9
341.11673	12.8
343.09509	9.1
354.09146	7.9
369.11111	21.2
373.14252	12.4
383.17044	8.0
401.13626	64.9
401.28763	8.3
402.14291	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	401.2893
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	11.4
55.01870	23.4
55.05510	11.9
57.03423	4.7
57.07069	73.4
61.58969	1.8
67.05499	25.2
69.03088	3.1
69.03425	35.5
69.07061	13.3
70.60512	1.5
70.89098	3.0
70.89416	2.3
71.04984	16.3
71.08246	3.0
71.08624	53.5
73.02900	10.4
81.03414	47.4
81.07038	28.1
83.08611	20.6
85.02886	11.2
85.09668	2.5
85.10178	31.3
87.45285	1.6
95.07999	2.8
95.08598	46.5
97.02884	78.3
97.10161	11.4
98.03142	1.5
99.04444	86.9
99.11732	2.4
101.02393	3.0
109.02867	45.8
109.10136	22.2
111.11732	1.7
123.11684	10.7
125.13258	2.2
127.03901	100.0
128.04207	2.2
137.13237	5.7
142.12421	1.9
145.04953	11.1
170.82513	1.9
183.25293	1.7
185.93884	1.8
221.22726	2.2
239.23663	46.5
253.55386	1.8
257.24780	5.1
273.10477	1.9
296.58603	1.9
383.27841	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	401.1803
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	2.0
55.01850	4.5
55.05500	1.5
57.03423	2.2
60.24533	1.5
61.00740	1.8
61.02905	2.9
62.01794	1.5
67.05502	9.3
69.03426	10.8
69.07058	2.4
70.06571	5.5
71.04984	2.0
71.29050	3.5
72.08110	1.5
73.02869	3.6
79.05472	3.8
81.03423	9.2
81.07044	10.5
85.02897	19.3
86.09675	2.4
87.00815	9.0
91.05466	4.7
93.07014	5.5
95.04942	1.7
95.08594	14.9
97.02888	8.9
99.04453	4.3
102.25931	1.5
105.01845	6.5
105.07001	3.2
107.04961	2.4
107.08581	10.8
109.02872	8.3
109.10149	100.0
110.10462	3.2
115.03887	3.9
115.05423	1.5
117.01789	1.5
117.06973	10.8
118.07311	6.4
119.08577	3.8
121.10107	2.0
123.11704	2.0
127.03881	14.5
129.07013	1.4
135.11694	14.2
136.12027	1.9
137.05957	3.0
137.13223	12.3
145.04944	5.7
145.82256	1.8
153.12727	35.1
154.13063	2.6
159.02913	3.8
167.06998	5.0
239.09444	1.9
257.10480	3.7
265.08533	2.2
267.06583	4.7
268.06833	5.4
269.07169	6.8
281.10794	2.4
295.08585	3.7
297.03052	1.5
315.08658	2.9
323.08206	5.4
330.11139	2.9
335.08411	1.8
347.08014	1.9
365.09317	2.9
383.10251	3.4
383.14838	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	401.1801
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.1
53.55293	1.1
55.01859	3.8
55.05507	1.3
56.58564	1.0
56.96553	2.4
57.03424	2.3
57.07061	2.6
61.02919	2.8
61.64061	1.0
67.05500	13.1
68.99781	1.5
69.03418	10.4
69.07062	1.2
69.42741	1.0
70.06590	5.4
71.04981	2.5
71.76016	1.2
72.08136	1.7
73.02899	2.1
79.05487	3.0
81.03403	12.5
81.07040	13.4
84.08149	2.0
85.02898	25.0
86.09705	1.8
87.00823	11.0
88.97662	1.2
91.05478	5.3
93.07036	5.5
95.08600	16.8
97.02878	9.9
98.97575	1.5
99.04454	5.3
105.01850	6.2
105.07012	3.8
107.04930	3.3
107.08590	13.1
107.88499	1.2
109.02854	8.2
109.10149	100.0
110.10484	3.0
115.03954	2.4
115.05461	1.7
116.98671	1.2
117.01874	1.7
117.07021	11.1
118.07355	8.5
119.08576	4.2
121.10088	1.9
123.04414	1.3
123.11700	1.6
127.03905	15.1
129.10197	1.6
131.04941	1.5
133.10114	2.2
135.11684	12.3
137.05991	1.1
137.13248	11.8
145.04965	7.0
145.10097	1.5
147.11748	1.2
149.09604	1.3
149.13292	1.3
151.11226	1.7
153.12729	37.7
154.13112	1.8
159.02884	7.9
159.08105	1.3
167.07060	6.0
177.12682	2.2
181.20805	1.2
217.08450	1.3
231.04964	1.5
257.10620	2.7
264.07819	1.3
267.06625	2.5
269.07291	3.6
307.09860	1.3
315.08524	2.2
323.12833	1.4
330.10956	5.2
383.14890	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	401.1594
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.7
55.01873	2.1
55.05500	4.0
56.64504	1.4
57.07033	1.8
60.06506	1.7
67.05507	7.6
68.14103	1.5
69.03423	2.5
69.07062	3.8
70.06590	12.0
71.02460	4.3
71.04965	3.4
71.87092	1.4
72.08172	2.9
78.04669	1.9
79.05491	17.3
81.03408	3.4
81.07054	14.2
83.04970	2.7
83.08588	3.1
84.04479	3.2
84.08131	5.1
85.02866	2.2
85.06512	2.6
86.09692	3.2
91.05467	9.1
93.07047	11.0
95.04971	8.1
95.08591	7.1
97.02879	2.2
97.06534	2.7
98.06072	1.6
103.05449	2.0
105.07021	8.4
105.33777	2.0
107.04942	30.1
107.08592	5.2
109.06517	4.2
109.10143	5.5
111.08068	1.9
115.05453	5.1
116.06217	4.0
117.06997	6.7
118.06860	2.4
119.08582	4.4
120.08118	1.7
121.06499	3.8
121.10138	4.9
123.04417	4.7
123.08026	2.6
124.05192	5.4
125.06037	2.4
128.06238	3.2
129.05391	1.8
129.07002	7.0
129.10228	2.1
131.04921	3.7
131.08556	12.5
132.05672	2.0
133.06468	3.1
133.10097	4.5
135.11671	3.3
137.05959	2.4
137.09589	2.5
139.07549	1.9
141.06947	2.7
144.05696	6.5
145.06444	7.4
147.04367	1.9
147.08041	1.9
147.11673	3.1
149.05933	2.1
149.13235	3.1
151.03928	2.5
151.07620	2.0
152.04602	1.7
153.05487	2.6
156.05672	11.4
157.06398	2.2
158.07236	3.0
159.08032	13.3
159.11649	4.3
161.05943	3.8
163.03831	2.9
163.11072	1.7
165.01801	2.4
165.06993	2.1
167.07036	100.0
170.07320	1.9
172.05170	2.7
173.06000	5.7
175.07538	2.9
177.05408	2.2
177.12694	2.9
177.59032	1.7
179.07132	1.9
181.04900	6.9
181.06386	1.9
181.08530	4.3
181.10039	2.0
182.07262	2.2
183.11584	2.3
184.05205	3.7
186.06744	5.0
187.07579	11.0
189.05453	1.9
190.07799	2.4
191.06963	2.9
191.08542	4.0
193.08659	2.4
195.06532	4.8
201.09119	2.2
202.06267	4.3
202.07904	2.8
203.06848	1.8
203.08549	2.2
205.06635	2.6
205.08582	12.6
205.10280	2.2
207.06477	6.3
208.05170	20.2
208.08766	1.5
209.05945	1.9
209.08037	2.2
210.06718	3.2
210.11307	2.7
211.07619	2.3
217.08568	30.7
218.07240	3.2
219.08014	13.8
219.10161	4.2
220.08754	4.9
221.05983	5.4
226.06061	2.2
229.08517	4.4
230.07275	2.4
231.08014	6.1
231.10159	2.2
232.08835	3.4
233.06004	3.0
233.09575	6.3
235.07520	2.1
236.04678	6.5
236.08441	5.3
237.09128	1.8
238.06277	3.1
239.06943	3.5
240.04216	3.6
245.09653	3.2
246.06825	3.2
247.07477	11.5
247.09705	20.8
248.08296	12.7
249.05594	3.5
249.08965	2.0
250.06291	3.2
251.06944	2.1
251.10628	2.2
254.05913	8.0
255.06390	3.6
259.07571	4.5
260.08252	2.4
261.09137	4.6
262.09790	4.3
263.07150	3.9
263.10565	9.1
264.07822	6.2
265.08597	5.4
267.06555	8.9
268.03531	2.8
269.08044	17.2
271.09647	10.2
272.06802	5.3
275.07010	6.4
276.07797	6.7
277.08612	3.8
279.06549	1.9
279.10123	9.0
281.08035	3.2
282.05539	2.6
282.08859	13.5
287.09195	3.2
290.09534	3.8
291.07169	3.0
291.10150	15.1
292.07272	3.6
292.10510	2.6
293.08203	9.8
294.08844	3.2
296.10400	3.3
299.09225	5.8
300.51410	1.8
301.07022	2.0
304.07556	1.7
305.07941	5.3
306.63733	1.9
307.09525	8.8
308.10361	7.0
309.07672	2.4
310.08340	8.5
311.12830	2.5
315.08621	67.6
316.09210	6.3
319.09625	7.6
320.10336	2.5
321.07541	4.2
321.11121	2.3
322.11932	2.0
323.12662	11.1
325.10651	2.5
328.09201	5.8
330.10962	77.3
331.11679	13.5
336.09906	3.8
337.10693	7.2
339.12061	7.4
341.13840	1.8
343.11743	21.8
351.12280	26.0
352.12900	5.4
353.10059	6.1
356.12622	3.6
368.12518	5.5
369.13232	2.3
371.14761	5.4
383.14874	61.7
384.14764	2.6
401.12762	3.6
401.16556	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	401.1592
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	4.3
70.06567	7.3
70.39412	9.4
79.05479	13.7
81.07045	6.0
84.08141	5.4
86.09719	4.4
86.77061	3.6
91.05462	7.6
93.07014	3.9
103.05457	5.5
105.06998	4.0
107.04951	37.8
115.05469	5.3
115.80818	4.0
121.06435	3.9
123.50323	3.4
124.05176	9.9
125.06001	4.1
131.08492	9.2
137.05986	6.9
144.05695	11.0
145.06445	9.7
151.03906	5.8
152.04613	3.8
153.07057	4.0
153.09187	3.7
156.05699	10.9
156.50752	3.6
159.08049	12.9
161.06021	7.9
167.07036	100.0
173.05952	5.3
177.50476	3.6
181.04955	15.0
181.06413	5.9
184.05231	4.0
186.06714	5.1
187.07538	7.7
191.06975	5.2
202.06259	8.5
202.07918	5.3
205.08562	13.1
207.06470	8.2
208.05104	19.2
210.06638	5.4
217.08556	29.2
219.08070	10.5
219.10083	5.8
221.06091	7.6
231.08040	8.6
233.09615	8.6
236.08318	5.4
247.07449	13.4
247.09712	17.6
248.08295	14.5
249.05513	4.3
249.09047	4.5
254.05760	10.4
261.09106	4.2
262.09781	4.3
263.06909	5.9
263.10513	6.0
264.07877	8.2
265.08496	4.9
267.06540	12.0
269.08163	23.1
271.09656	10.7
272.06766	5.0
275.07220	7.8
276.07764	8.7
277.08563	7.5
279.10156	10.6
282.08804	21.6
291.10153	12.4
292.07382	7.2
293.07965	6.7
305.08078	7.0
307.09668	9.8
308.10309	9.3
310.08438	6.4
311.09000	4.6
315.08591	65.7
319.09827	6.1
321.07578	8.8
323.12759	13.5
328.09656	5.1
330.10965	78.5
330.14688	5.9
331.11514	10.9
336.09747	5.5
337.10721	5.4
339.12271	9.4
343.11731	16.5
350.11679	3.9
351.12387	20.3
368.12573	7.5
369.13141	5.1
371.14780	5.3
373.12753	8.9
383.14929	62.3
384.15338	4.3
401.11807	8.0
401.16284	10.8
401.20749	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	401.159
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.1
55.01852	1.6
66.72371	1.4
69.07057	1.4
70.06582	5.4
71.52628	2.1
72.08125	1.7
79.05480	16.6
81.07047	1.9
84.08153	2.2
86.09672	1.6
91.05474	6.7
95.04958	3.8
103.05443	1.7
105.07062	1.9
107.04943	27.6
109.06486	1.7
111.04420	1.3
111.08054	1.6
115.05437	4.2
116.06214	1.6
117.06980	4.1
120.08026	2.3
121.06504	2.3
121.10123	1.3
123.04422	3.4
124.05228	7.8
125.05998	4.9
128.06180	2.9
129.06934	7.3
131.04868	3.3
131.08554	7.8
132.05710	2.1
133.06448	2.3
137.05951	3.9
141.06956	3.6
144.05663	6.8
144.36440	1.4
145.06453	7.0
151.07582	1.5
152.04637	2.8
153.05482	3.3
156.05713	12.0
157.06427	4.2
158.07242	2.1
159.08022	13.7
159.11478	1.3
161.05949	3.1
163.03848	3.0
167.07024	100.0
168.07294	1.6
169.06522	2.2
172.05214	2.0
173.04724	1.7
173.06027	6.3
173.57742	1.6
175.07573	3.9
177.05557	2.7
179.07060	2.2
181.04837	1.9
181.08557	3.5
183.08017	1.6
184.05202	3.7
186.06784	3.9
187.07523	10.4
189.05502	1.9
189.07066	2.3
190.06233	3.5
190.07768	3.0
191.07164	2.6
191.08546	4.2
193.06503	3.8
193.08492	2.9
195.06529	2.9
197.08156	2.5
200.08308	1.7
201.09084	1.8
202.06206	5.1
202.07774	3.6
203.08554	3.3
205.06729	2.7
205.08577	16.9
205.10286	2.4
207.06488	4.4
207.08209	2.1
208.05161	23.1
208.08766	1.8
209.05963	2.4
209.07887	1.5
210.06706	2.4
211.07388	1.5
215.08638	2.5
217.08559	29.6
217.10532	2.2
218.07243	5.1
219.08032	12.3
219.10213	4.6
220.08798	5.7
221.06058	8.5
227.06999	1.8
229.08531	5.0
230.07277	2.5
231.08044	8.5
231.10098	2.6
232.08908	3.1
233.05969	2.3
233.09613	5.4
234.06798	3.0
234.10510	1.7
235.07419	4.5
236.04720	7.0
236.08340	4.2
238.06285	2.8
239.06996	3.8
240.04166	3.2
244.08850	1.8
245.09636	3.2
246.06776	2.0
247.07478	14.0
247.09673	22.3
248.08299	17.3
249.05374	2.0
249.09055	4.8
250.06264	3.5
251.07094	1.6
251.10689	2.7
253.08682	1.8
254.05704	12.3
255.06476	3.1
257.04419	2.3
259.07547	6.1
260.08377	2.7
261.09091	5.4
262.09857	5.6
263.07040	4.9
263.10583	9.8
264.07852	8.4
265.08621	8.6
267.06546	8.8
268.03592	1.5
269.08044	30.0
270.08737	1.5
271.06348	2.0
271.09619	8.6
272.06821	4.5
273.02908	1.6
273.09195	1.7
275.07098	8.6
276.07794	8.9
277.08548	6.9
278.05759	1.6
279.07040	1.8
279.10086	9.7
280.10776	2.8
281.07947	2.9
282.05441	3.6
282.08755	19.2
285.07486	3.2
287.09329	1.8
289.08493	2.9
290.09366	6.1
291.06839	2.6
291.10098	15.9
292.07245	4.6
292.10510	3.3
293.08057	10.3
294.08920	1.9
296.10229	2.7
299.09103	4.9
300.06265	2.9
301.06998	4.2
304.07153	3.0
305.08109	2.5
305.11642	1.7
306.08911	2.5
307.09695	10.3
308.10312	8.4
309.07498	2.3
310.08392	10.0
311.09286	1.8
311.12781	4.9
315.08591	80.8
316.09015	2.0
319.09509	7.7
321.07541	4.1
322.08322	2.3
323.09082	2.7
323.12677	17.0
325.10815	2.5
327.08588	2.0
328.09302	6.9
329.10178	2.0
330.10928	84.9
331.11600	11.5
336.09854	6.5
337.10565	10.3
339.12274	9.6
343.11722	23.2
344.12238	1.8
351.12259	27.1
352.12878	4.9
353.10144	7.4
356.12656	3.0
357.13058	2.1
368.12463	8.2
369.13211	4.7
371.14960	6.2
383.14859	65.9
384.15210	3.5
401.15970	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	401.1591
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	3.4
69.98775	13.7
70.06580	8.7
76.57020	2.3
78.04707	2.9
79.05486	14.3
81.07049	5.3
82.97958	2.3
84.08153	3.7
86.09685	2.8
91.05462	7.9
95.04967	4.0
103.05481	5.6
105.03368	2.5
105.06985	4.2
106.04144	2.7
107.04953	36.1
115.05458	3.3
116.06294	3.0
117.07008	5.5
123.04356	5.9
124.05231	7.5
125.05978	6.9
129.06993	8.3
131.08539	9.8
135.04477	2.4
137.05946	4.4
141.06990	5.5
144.05704	10.2
145.06461	8.1
151.03940	3.7
153.05391	2.9
155.08688	2.5
156.05705	9.7
157.06477	5.9
159.08057	16.9
161.05914	5.4
163.03915	3.8
165.07008	2.4
167.07025	100.0
173.05972	7.2
175.07538	4.7
178.07736	2.6
179.06960	3.8
181.05022	16.5
181.06465	4.0
181.08757	2.4
184.05223	2.9
187.07449	12.6
189.05498	4.5
190.06252	2.6
191.06949	2.6
193.08446	2.7
195.06476	3.1
195.08063	3.6
202.06125	3.9
202.07835	4.1
204.07828	3.1
205.06651	4.4
205.08607	13.3
207.06375	5.9
207.80360	2.8
208.05153	20.7
217.08554	36.4
218.07202	5.9
219.08023	12.3
219.10075	4.9
220.08969	3.3
221.06055	6.2
221.09863	3.0
227.07077	3.0
229.08664	5.8
231.08046	9.6
232.08821	3.2
233.09723	4.3
234.06973	4.1
235.07465	3.9
236.04645	9.7
237.05301	3.1
245.09624	5.0
247.07597	14.9
247.09698	19.2
248.08333	10.3
249.05424	3.7
249.09004	4.1
250.06284	3.2
250.09451	3.1
251.10440	3.6
254.05684	11.9
261.09048	7.6
262.09839	6.5
263.06821	5.1
263.10638	12.7
264.07852	5.0
265.08636	8.5
267.06500	10.5
269.08032	27.6
271.06259	2.3
271.09641	8.0
272.06805	4.4
275.07095	4.9
276.07666	6.8
277.08578	5.8
279.10196	7.3
281.08167	2.8
282.08856	22.4
283.09378	2.7
285.07452	3.4
287.09137	2.9
290.09439	6.9
291.10129	14.1
292.07346	4.2
293.08057	8.7
296.10229	4.0
297.07346	3.2
299.09073	5.7
301.07083	3.7
306.08893	3.0
307.09595	11.1
308.10294	7.3
310.08572	5.5
311.12897	5.0
315.08594	83.0
316.09143	5.0
319.09573	8.3
321.07501	5.6
322.12036	3.6
323.09293	3.9
323.12653	17.3
328.09381	5.1
330.06967	4.2
330.10934	82.1
331.11554	16.0
336.09900	5.5
337.10526	7.0
339.12189	9.4
343.11816	22.4
351.12274	28.2
352.13187	3.7
353.10190	7.3
356.12424	5.0
368.12552	9.1
369.13358	6.9
373.12784	8.3
383.14893	56.8
401.12094	10.8
401.15958	15.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1592
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10853	2.9
53.03926	2.0
55.05501	5.3
57.03416	3.3
66.33723	2.6
67.05477	4.4
67.78418	2.3
69.85798	17.3
70.06583	24.0
71.04969	5.6
72.08132	5.5
78.04706	2.6
79.05486	18.3
79.11120	2.2
81.03425	5.8
81.07049	4.6
84.08116	6.3
86.09686	3.3
90.05709	2.1
91.05497	12.1
92.02355	2.5
93.07042	5.9
95.04944	6.0
95.08611	3.1
105.06999	6.3
107.04945	38.9
107.08582	3.9
109.06474	2.3
111.04397	2.1
111.80237	2.4
114.10281	4.2
115.05433	3.9
116.06270	3.4
117.06973	5.7
119.08585	4.6
121.02829	3.0
121.06485	3.3
121.10146	2.8
123.04403	4.0
123.08016	4.0
124.05217	5.3
125.05973	2.9
125.09563	2.3
128.06198	3.1
129.06998	6.5
129.10266	3.8
131.04893	2.6
131.08545	11.3
133.10188	3.1
137.05933	3.4
141.06941	7.2
144.05695	7.2
145.06456	6.7
148.07574	2.6
152.04709	4.0
153.01830	2.5
156.05638	15.6
159.08028	14.3
161.05960	4.0
163.03857	6.7
165.01875	3.8
167.07027	100.0
168.07458	2.9
173.05995	4.1
177.05498	4.0
179.07069	4.6
181.04985	3.8
181.06476	3.2
181.08565	3.5
182.07245	3.1
186.06847	2.7
187.07507	9.3
190.06149	3.0
191.08510	2.5
195.06499	5.1
201.09052	4.1
202.06145	5.3
202.07878	3.8
205.08597	13.8
207.06488	6.0
208.05174	21.9
211.07449	2.9
217.08574	36.2
218.07272	4.0
219.08000	14.4
219.10173	6.5
220.08748	6.5
221.05954	9.0
221.15324	3.1
229.08571	6.0
231.08032	8.3
233.09575	3.8
235.07439	3.8
236.04701	7.3
236.08321	6.3
238.06290	3.5
239.07033	3.2
241.08481	2.4
245.09552	2.8
246.06790	2.5
247.07428	14.8
247.09686	23.8
248.08301	16.0
249.09160	6.3
250.06328	3.1
253.08600	2.6
254.05672	12.6
255.06354	3.3
259.07629	4.5
261.09155	5.7
262.09927	5.4
263.07162	4.5
263.10632	11.8
264.07809	7.4
265.08664	6.0
267.06476	13.5
268.03760	4.1
269.08023	19.4
271.05847	3.9
271.09641	8.7
273.11295	3.5
275.06955	5.9
276.07748	9.6
277.08618	3.0
279.10059	7.3
280.10413	2.9
282.05698	3.1
282.08804	15.7
283.05948	6.7
287.09155	3.6
290.09375	5.8
291.09915	14.2
292.07278	6.1
292.10794	2.5
293.07950	9.1
296.10257	3.7
297.07602	3.2
299.09119	4.0
301.06998	3.8
307.09604	10.7
308.10413	6.5
309.07336	4.0
310.08298	8.0
311.12787	3.6
315.08557	70.3
316.09323	3.1
319.09583	9.8
321.07428	5.9
321.11002	3.9
322.08139	3.2
323.09207	5.2
323.12753	15.0
328.09427	6.8
330.07025	4.2
330.10974	87.3
331.11639	13.3
336.10049	4.8
337.10678	6.3
339.08551	2.9
339.12241	6.8
343.11786	21.8
351.12216	31.2
352.13101	5.6
353.09998	8.6
356.12769	3.9
368.12451	9.6
369.13541	4.6
369.25275	3.3
371.14661	3.2
383.14926	70.2
401.10760	6.6
401.15967	15.2
401.28299	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	400.1897
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	1.5
55.05510	1.4
56.05030	6.8
56.30620	0.9
57.50419	1.0
58.99581	1.9
67.05492	4.1
68.05022	1.1
70.02949	1.8
70.06585	3.5
71.04995	0.8
71.17258	2.3
72.34773	0.9
74.02418	1.0
76.04002	1.2
79.05493	2.5
80.05009	2.0
80.37394	0.9
81.07045	4.3
82.06548	1.2
83.08607	2.6
84.04470	2.0
84.08128	1.2
85.02913	1.1
86.00642	16.4
87.02680	1.9
88.02209	2.1
91.05482	3.0
93.07039	3.5
94.06554	1.6
95.08601	2.3
97.01110	4.8
99.02650	1.8
102.05533	3.4
105.06985	1.7
107.08578	3.4
109.10064	1.0
111.02644	1.4
114.03746	1.5
114.05508	2.0
116.01673	5.1
117.07001	1.0
121.10116	1.7
131.04811	1.1
131.08566	1.6
133.10107	2.2
137.04242	1.1
141.48064	0.8
143.02768	2.5
144.01126	0.9
147.11656	1.7
149.13303	0.9
152.55301	0.9
175.96507	0.9
177.12802	1.5
189.03279	2.0
194.15454	3.9
206.15398	2.1
209.09889	0.9
212.16454	8.1
218.15459	1.3
222.14868	1.1
224.16435	3.6
226.12625	2.3
244.13530	1.7
252.14063	7.6
270.15085	6.8
270.17145	6.5
279.15430	2.2
280.13815	1.9
327.17157	1.5
346.09616	1.2
355.16827	3.4
373.17892	100.0
374.18127	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	401.0093
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92626	2.7
56.96550	9.4
70.36763	5.5
70.37153	6.9
80.42948	2.5
83.48238	2.9
83.70187	2.6
84.10079	2.8
98.97576	88.9
102.24593	3.2
114.34942	2.7
116.98615	100.0
131.64505	3.0
134.99643	46.7
153.00732	5.6
158.01350	3.7
190.95424	4.4
216.98763	5.2
219.01880	5.5
221.01694	2.9
232.96399	7.7
234.99858	7.3
236.99606	7.2
240.98715	5.8
250.97591	5.6
252.97478	5.0
256.96442	7.5
258.96872	4.5
258.99762	51.6
260.00034	5.2
260.99686	10.9
261.03055	5.8
263.02884	4.1
274.97482	80.3
275.97922	7.3
276.97504	30.2
277.00818	88.5
278.01166	6.1
279.00766	15.1
283.00037	26.9
283.99997	4.6
284.99759	12.3
292.98563	56.3
293.98914	6.9
294.98740	9.6
297.99030	7.8
300.02255	4.4
300.97592	16.6
301.01050	36.5
301.97504	3.4
302.01132	8.0
303.00821	31.4
314.96313	3.7
316.00076	3.0
316.98871	3.9
317.99023	5.1
318.98584	32.5
319.01996	5.0
319.98624	4.1
322.07300	3.0
359.01498	13.8
376.98727	20.1
382.99774	3.3
401.01300	20.3
419.03006	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	400.1898
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72745	1.0
55.01870	1.6
55.05506	2.7
56.05032	7.7
57.31590	1.0
58.99575	1.5
61.01155	1.9
67.05499	4.6
68.05036	1.5
69.07061	1.7
69.88023	6.8
70.06567	3.7
73.01153	1.4
74.00650	1.3
76.04001	2.3
79.05489	4.1
80.05015	2.2
81.07066	5.7
83.04969	1.2
84.04498	1.4
84.08122	1.3
85.01158	1.4
85.06590	1.5
86.00650	15.0
87.02676	2.2
88.02205	1.8
91.05479	4.6
93.07039	4.4
95.08612	2.8
97.01100	7.6
99.02676	1.8
102.05529	5.6
105.07019	2.6
107.04962	1.5
107.08588	3.2
114.03725	1.4
116.01673	4.4
121.10197	1.8
123.02598	1.2
131.08620	1.7
133.10153	3.1
137.06033	1.3
143.02710	1.5
144.01181	1.2
151.11206	2.2
161.96365	1.1
165.19986	1.2
183.08440	1.2
189.03355	2.8
191.08867	1.8
194.15472	2.7
198.14868	1.2
212.16447	6.1
218.15466	1.6
224.14627	1.6
224.16556	3.2
226.12605	3.4
238.74139	1.2
244.13579	1.6
252.14063	7.3
264.40369	1.2
270.15204	9.1
270.17484	3.5
282.08801	1.6
304.64996	1.1
307.14706	2.6
312.12631	2.5
327.17361	3.7
355.16934	3.0
361.60605	1.2
373.17892	100.0
374.18298	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	400.1235
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00893	1.6
55.05512	2.5
56.05030	2.8
57.07066	1.9
60.04514	3.6
62.38888	1.7
69.03419	5.1
69.07058	3.2
69.98459	5.1
69.98891	5.1
70.06209	2.4
70.06581	36.3
71.23814	1.5
72.08148	24.6
79.05487	8.5
81.03399	3.7
84.04495	3.4
84.08142	13.1
85.02893	11.0
86.06073	1.8
86.09685	7.9
87.00839	3.7
87.05563	1.5
91.05441	3.0
97.02863	5.6
103.05441	2.3
105.01871	2.9
105.07027	1.8
106.06541	75.8
107.06889	2.1
109.02845	2.8
110.07158	13.9
116.07084	6.0
119.04945	1.9
120.08098	3.1
127.03926	4.7
127.08642	3.2
129.10234	6.9
134.05997	100.0
135.06404	2.3
136.06194	2.8
145.04895	2.1
147.04378	3.3
152.05823	2.3
152.07054	29.6
156.07666	5.9
168.05127	8.3
171.14938	4.4
177.05493	1.6
193.29013	1.6
194.08150	1.7
199.14545	2.8
200.81773	1.6
235.51756	1.7
236.11357	2.2
237.11644	1.4
238.12219	1.8
247.33054	1.6
270.59647	1.5
278.39767	1.5
301.11938	1.5
332.82062	1.6
357.11691	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.3619
Annotation	delta-8(9),22-Ergostadiene-3beta-ol
Peak:m/z	Relative Intensity
53.03929	0.9
55.05503	6.2
57.07079	4.0
60.12566	0.8
62.75250	0.7
67.05483	6.1
69.07065	7.8
71.08612	3.7
71.48809	1.9
79.05483	12.0
79.06203	0.9
81.07049	17.1
83.04974	7.4
83.08606	3.7
85.10185	1.5
85.88409	0.8
91.05472	3.7
93.07024	6.7
94.78159	0.8
95.04989	1.7
95.08602	12.1
97.01216	0.8
97.06524	87.5
97.10153	3.7
98.06857	1.0
100.80774	0.8
105.00475	0.8
105.07034	5.1
107.08606	5.1
109.06511	100.0
109.10147	5.7
111.08041	0.8
111.11674	1.5
113.01592	0.9
119.08562	3.4
119.09315	0.8
121.06505	2.1
121.10138	2.5
123.08054	11.4
123.11703	3.0
129.06999	0.9
131.08522	2.4
133.10117	3.6
135.11682	3.4
137.09651	1.0
145.10092	3.2
147.11700	1.4
149.13245	2.9
157.10167	1.7
159.11668	4.2
161.13237	2.1
163.11200	2.1
163.14862	0.9
173.13283	1.8
175.14838	1.9
185.13280	1.0
187.14836	2.0
199.14806	1.1
213.16321	1.3
227.17920	1.4
241.19418	1.5
255.21127	1.9
381.35089	7.7
396.55420	0.8
399.36203	53.0
400.36551	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	400.1234
Annotation	Unknow
Peak:m/z	Relative Intensity
54.15170	0.4
55.05501	0.5
56.56139	0.5
57.07059	0.5
69.03413	0.9
70.06588	3.7
71.08620	1.1
71.73817	0.8
72.08147	4.6
79.05489	0.8
84.04481	0.7
84.08159	2.7
85.02887	2.2
89.03924	3.8
91.05463	1.9
95.04956	0.6
95.50605	0.5
97.02885	1.0
107.04971	3.7
108.08128	0.5
109.02881	0.6
110.06044	0.6
110.09646	1.1
111.04434	0.6
117.03370	5.3
119.04916	2.6
127.03910	0.7
135.04417	15.2
135.05469	0.8
136.07568	0.7
144.65253	0.5
145.02847	10.0
145.06494	1.1
146.05995	1.2
147.04395	9.4
147.06596	0.6
147.08037	2.2
148.07520	0.7
150.11507	1.5
152.05377	0.6
162.09160	1.1
163.03894	100.0
164.04231	2.1
173.05940	0.9
181.04961	0.6
183.09535	0.9
187.42090	0.6
190.05003	0.7
190.08644	4.2
192.06535	1.2
208.09735	0.6
220.09572	0.9
238.07132	1.6
248.66348	0.5
250.09348	0.7
277.53687	0.5
282.80020	0.6
329.16434	0.9
383.21036	1.4
400.12164	1.1
400.23520	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.2527
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05797	1.9
50.11719	1.7
55.05507	10.8
57.07058	4.5
59.38447	1.8
66.27349	1.7
67.05499	12.6
69.03408	3.8
69.07046	6.8
70.06584	2.2
71.08611	5.7
71.74793	3.1
79.05470	3.5
80.05742	1.7
81.07043	15.1
83.04963	4.8
83.08594	7.6
85.02928	3.0
85.06522	3.9
85.10154	2.2
88.07621	2.9
88.55741	1.9
91.05468	5.6
93.07046	11.2
93.30469	1.6
94.16833	2.2
95.04939	5.0
95.08595	14.0
97.06519	3.0
97.10139	3.9
99.04450	4.7
101.05989	5.4
105.07005	15.6
107.08585	10.4
109.02908	2.8
109.09490	1.8
109.10154	9.9
111.04442	2.1
111.47351	1.7
119.08567	11.5
121.10104	7.4
123.08058	11.1
123.11668	2.3
131.08525	3.7
133.10127	14.3
135.08009	4.8
135.11684	3.1
142.07771	2.1
145.10107	7.3
147.07991	3.4
147.11658	8.5
149.09616	4.6
149.13315	1.9
151.07526	100.0
153.78632	1.9
157.10110	2.6
159.08060	3.0
159.11678	3.2
163.11099	2.9
165.09125	5.2
165.31218	1.8
169.10141	2.1
173.09608	3.3
175.07542	3.6
175.11169	5.0
176.08279	2.6
177.09073	8.0
189.09081	6.6
191.10643	42.3
193.12206	7.0
201.09094	3.4
203.10634	14.2
205.12204	16.7
215.10666	2.4
217.12262	3.5
229.12198	5.4
235.16809	3.0
243.13895	3.0
243.17366	2.4
261.18481	3.5
262.11209	2.1
285.18402	3.6
337.33026	2.8
363.23132	2.8
381.24167	7.2
399.25345	11.6
399.36472	14.6
400.39401	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	399.2012
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90021	3.2
53.03927	4.4
55.01871	26.2
55.05505	28.1
57.03432	5.2
57.07061	5.5
61.02914	11.3
63.45424	3.0
67.05499	55.4
69.03089	2.7
69.03415	19.6
69.07058	21.8
70.03771	4.1
70.06584	10.1
70.53102	3.0
71.01368	4.2
71.04971	5.5
71.08617	8.1
71.12831	6.4
71.13165	4.0
72.08134	5.4
73.02896	7.0
79.05486	43.5
80.54782	3.1
80.60900	3.0
81.03412	66.6
81.07050	59.5
82.07337	3.0
83.04978	13.4
83.08618	8.2
84.08124	6.7
85.02911	6.7
85.06521	5.9
86.06069	70.6
87.04475	4.3
87.06399	15.7
91.03957	4.8
91.05474	43.7
93.07044	47.0
95.01305	10.4
95.04402	4.3
95.04967	45.8
95.08587	27.3
97.02867	10.7
97.06509	11.0
97.10182	5.8
101.06007	7.7
102.05524	3.7
105.07018	38.8
107.04942	23.0
107.08578	24.7
109.02830	5.4
109.06506	19.6
109.10148	22.0
111.04454	6.6
111.08053	7.0
115.05444	3.9
117.06973	15.6
119.04905	5.4
119.08578	30.7
121.02827	9.1
121.06512	30.6
121.10132	13.7
123.04401	6.0
123.08055	13.5
125.02345	7.2
125.09622	7.0
128.06256	3.2
129.05434	5.8
129.06987	14.3
131.08545	17.9
133.06491	11.7
133.10123	17.1
135.04393	10.6
135.08057	12.5
135.11652	11.5
136.06192	7.1
137.02280	4.0
137.05943	5.2
137.09612	5.7
143.08522	12.2
145.06451	8.1
145.10158	15.4
147.04347	15.2
147.06454	4.0
147.08040	9.2
147.11693	12.9
147.29189	3.2
149.05954	6.0
149.09627	6.5
149.13243	11.2
151.07483	5.6
155.08507	5.3
159.08066	8.2
159.11690	13.4
161.09601	8.7
161.13286	12.8
163.03900	11.5
163.07437	3.8
163.11191	4.5
165.05327	4.2
169.10097	5.4
171.11684	12.4
173.06001	3.5
173.09515	5.2
175.11191	5.3
177.12746	18.4
179.08588	3.9
179.14359	4.5
181.76878	3.2
183.11568	4.5
187.11198	6.0
187.14764	3.9
189.12703	8.8
191.14337	4.9
197.13319	4.8
199.11208	7.8
201.12718	3.9
205.12201	5.5
207.13824	50.6
215.14340	5.7
219.13809	9.5
225.12688	4.3
227.12573	3.3
233.15335	6.4
243.13805	8.3
245.15321	7.3
250.09435	4.3
253.12119	4.4
261.14856	42.0
267.06570	4.5
269.13724	8.8
271.13239	6.1
278.21899	5.5
279.15897	6.1
289.14325	100.0
296.22821	4.9
299.12460	6.0
307.15363	56.4
317.13736	5.7
325.16351	28.2
335.14816	22.8
335.18564	11.3
349.02686	3.2
353.19589	11.1
399.28360	17.7
399.32999	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	399.1911
Annotation	(-)-11,12-Methylenedioxy-kopsinaline
Peak:m/z	Relative Intensity
53.03931	0.8
55.01852	0.7
55.05505	5.0
56.96526	0.5
57.03406	1.8
59.56065	0.4
65.03912	1.0
67.05492	4.7
69.03396	1.4
69.07067	2.7
69.79393	1.8
69.79828	1.4
70.06587	3.5
71.04955	0.5
71.08578	0.4
72.08138	1.0
79.05484	5.0
81.03384	1.0
81.06626	0.5
81.07047	6.4
83.04971	0.7
83.08580	1.6
84.08124	0.5
85.02879	0.4
85.10148	0.6
91.05477	4.3
92.05003	0.8
93.07034	5.1
94.06537	0.8
95.04950	1.8
95.08596	3.5
96.08104	0.7
97.02853	1.2
97.06539	2.1
97.10132	2.0
98.21429	0.9
98.76460	0.5
98.87209	0.5
102.05531	0.5
105.07011	4.4
106.06523	0.7
107.04912	0.6
107.08578	7.9
108.08095	1.3
108.08824	0.5
109.02814	0.5
109.06487	1.5
109.10142	4.5
110.09668	0.6
111.08073	0.7
115.05487	0.5
117.06969	1.8
118.06521	0.7
119.08585	3.6
120.08055	1.6
120.08842	0.7
121.06435	0.6
121.10114	1.9
122.05998	0.5
122.09627	1.9
123.08037	1.9
123.11659	0.9
124.07584	1.6
125.09605	1.7
128.06213	0.6
129.05482	0.5
129.06955	0.6
130.06470	0.7
131.08577	2.2
132.08061	1.2
133.10118	2.7
134.06003	0.8
134.09622	4.2
135.08023	1.0
135.11681	1.1
136.06177	1.5
136.07506	2.5
136.11201	2.3
137.09570	1.3
138.05481	0.5
138.09125	1.6
141.06854	0.5
143.08525	1.0
145.10066	2.3
146.05959	1.3
147.06725	0.7
147.08067	0.7
147.10446	0.5
147.11656	1.2
148.07581	0.7
148.11134	0.8
149.09581	0.8
149.12027	0.9
149.13216	0.7
150.05437	1.2
150.09105	1.8
150.12762	1.4
151.07480	0.6
151.09933	3.2
151.10980	0.6
152.10674	0.9
153.08960	0.6
157.10130	1.0
158.05962	0.5
159.08006	0.6
159.11649	1.4
160.07590	1.0
160.11180	0.6
161.09584	1.4
161.13248	0.6
162.09134	14.0
163.07613	0.6
163.11194	0.8
163.13541	0.6
164.07051	2.9
164.10695	4.6
165.09108	1.3
166.04987	8.8
167.07115	0.5
168.10182	1.1
169.10315	0.5
170.08272	0.5
171.06691	0.6
171.11566	0.5
173.09647	2.5
175.11180	0.8
176.03355	0.5
176.10693	1.9
176.14325	4.0
177.11491	1.6
178.04999	4.3
178.12247	8.3
178.15846	2.6
180.13812	13.7
181.04945	0.6
188.10614	1.3
188.14291	1.2
189.11282	0.8
191.10756	0.4
191.12988	0.7
192.06509	3.8
192.13795	1.0
195.78207	0.4
199.08698	0.7
204.13826	28.1
205.14439	1.2
206.15385	63.8
207.15688	1.9
212.09412	1.3
218.15367	1.3
220.13295	1.0
227.11575	2.1
228.10196	1.6
228.12236	0.5
237.10344	0.6
239.08112	1.0
239.16307	0.6
240.08870	0.8
243.07729	0.7
244.09666	1.1
246.11305	2.8
250.09366	1.2
255.11223	3.1
255.17770	1.3
257.09048	0.8
257.12872	1.0
260.16504	0.5
261.18579	0.9
263.16345	1.9
269.09183	0.5
270.10028	0.5
271.16934	1.2
272.09140	1.3
273.12344	0.9
275.13812	0.7
283.07758	1.0
283.10788	17.1
284.11191	0.8
285.12357	1.1
289.18024	1.0
301.11789	12.8
302.12180	0.9
311.10257	0.8
329.11288	11.5
330.11673	0.6
335.17569	0.7
337.19916	1.1
353.18616	3.6
363.16989	0.7
363.21667	0.7
367.11868	0.5
370.15158	0.9
371.19571	2.4
381.18109	3.3
381.26346	1.7
395.81271	0.6
399.19122	100.0
399.28149	2.8
400.19467	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	399.1913
Annotation	(-)-11,12-Methylenedioxy-kopsinaline
Peak:m/z	Relative Intensity
55.01852	1.2
55.05507	5.9
57.03426	2.0
57.07055	1.1
67.05499	7.6
68.05000	0.9
69.03400	1.8
69.07067	3.3
70.06592	5.3
70.90723	1.6
71.04956	1.1
71.08605	1.2
72.08131	1.9
72.98598	0.6
75.07396	0.6
75.62431	0.6
78.87325	0.6
79.05489	5.9
80.41786	0.5
81.03391	1.6
81.07047	9.5
83.04956	1.0
83.08596	2.0
84.04508	0.7
84.08123	1.2
85.02889	1.0
85.06527	1.3
85.10178	0.7
87.46606	0.5
88.34998	0.5
91.05464	6.1
91.30402	0.5
93.07035	7.8
94.06538	0.7
95.04942	2.6
95.08588	7.3
96.08109	1.2
97.02885	1.2
97.06508	2.7
97.10146	2.6
97.39211	0.6
101.05968	0.8
102.05534	0.6
103.33923	0.6
105.07020	5.6
106.06557	0.8
107.04943	0.8
107.08578	7.5
108.08099	2.0
109.06496	2.0
109.10150	4.7
111.04435	1.2
111.08029	1.1
115.05408	0.7
117.06999	2.5
118.06576	0.7
119.08524	4.3
120.08086	2.4
120.08857	0.9
121.06451	1.4
121.10157	4.0
122.09653	2.2
123.08063	3.1
123.11698	1.1
124.07573	1.5
125.09582	2.2
128.06123	0.8
129.06929	1.3
130.06508	0.8
131.08543	2.4
132.08075	1.4
133.10107	3.9
134.09648	4.4
135.08018	1.7
135.11652	2.6
136.06181	1.6
136.07500	2.8
136.11180	1.8
137.09605	1.8
138.09123	1.9
141.01532	0.6
143.08540	1.4
144.08002	0.8
145.06496	1.0
145.08980	0.8
145.10042	2.9
146.05981	1.6
147.06682	0.8
147.08032	0.9
147.11642	1.4
148.11165	1.9
149.06010	0.6
149.09567	1.3
149.12044	1.3
150.09123	2.1
150.12749	2.1
151.07474	1.0
151.09889	2.7
151.11113	1.3
155.08475	1.0
157.10130	1.5
158.05994	0.6
159.07996	1.5
159.11650	1.7
160.07568	1.0
160.11169	0.9
161.09645	1.2
161.13240	0.7
162.09125	13.4
163.09950	0.7
163.13481	0.6
164.07034	2.8
164.10675	4.8
166.04990	9.5
167.07040	1.5
168.10181	1.5
169.10458	1.0
172.11078	0.7
173.09605	2.4
173.13193	1.1
176.10759	1.5
176.14311	3.5
177.11461	2.2
177.12886	0.8
178.04962	5.2
178.12273	9.1
178.15860	3.3
180.13821	18.1
181.14188	0.8
185.13284	0.8
186.62813	0.6
189.11198	1.3
191.12941	0.8
192.06540	5.6
192.13701	1.3
200.10614	0.8
201.16388	1.0
204.13808	25.7
205.14192	1.5
206.15379	69.2
207.15646	3.2
211.08749	0.7
211.12332	1.3
212.09290	0.8
220.13391	0.7
225.16379	0.9
227.08151	0.8
227.11882	2.0
228.10100	1.6
243.17366	1.0
244.09721	0.7
246.11272	2.1
250.09419	1.2
255.11316	3.0
257.12799	2.7
261.18649	1.1
263.16397	1.7
271.10458	0.7
271.16919	1.4
273.12341	1.2
275.13828	2.1
283.10745	15.6
285.08853	0.9
289.17886	1.9
291.81299	0.6
301.11789	11.9
311.10172	0.8
329.11426	4.9
335.17450	0.7
337.19931	0.9
353.18781	3.0
354.18967	0.6
363.21622	0.9
371.19525	2.6
381.17834	2.4
381.21924	3.7
381.26300	0.6
381.31247	0.7
399.19067	100.0
399.27484	6.6
400.19415	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	399.165
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.1
55.01868	2.0
55.05516	2.2
56.05024	2.4
57.03428	4.6
57.07084	2.3
58.06588	1.6
59.05009	1.1
61.02936	2.2
69.03429	13.3
69.07072	1.4
70.06581	17.3
71.04575	4.0
71.04980	2.1
71.08622	3.0
72.08148	6.6
73.02921	1.8
75.04465	2.0
81.03402	6.1
83.04985	1.8
84.04474	2.8
84.08144	5.0
85.02901	24.9
85.06521	1.2
85.10173	1.7
86.06077	1.6
86.09693	7.0
87.04475	2.6
88.03970	1.3
91.05476	4.5
93.07026	2.2
97.02891	21.9
99.04410	2.6
101.06015	1.7
102.04688	2.1
102.05535	4.4
103.03956	4.4
103.05460	46.8
105.07028	2.8
109.02863	3.7
110.07177	3.6
111.04440	1.8
115.05486	1.8
116.07123	3.3
117.05479	1.6
127.03905	7.6
129.05469	4.1
129.10211	2.2
131.04922	100.0
132.05281	1.5
133.06493	2.0
133.10046	1.3
136.06163	12.6
145.04933	2.9
147.04466	2.1
147.06557	2.8
148.05191	11.0
161.05956	6.6
161.09566	1.3
163.07533	45.5
176.08333	5.4
184.07285	1.7
196.60547	1.4
201.09198	2.4
207.10202	4.9
219.10167	1.8
229.15404	1.9
250.09314	8.8
259.65695	1.3
265.10739	1.4
300.56790	1.4
315.05014	3.6
375.30145	1.5
399.06964	1.6
399.16306	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	399.1647
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44115	1.7
52.44035	1.6
53.03934	6.0
55.01865	28.5
55.05505	33.0
57.03427	10.6
57.07059	5.6
59.04990	2.2
61.02934	2.7
61.26312	1.7
65.03935	3.6
67.05496	40.4
68.99769	1.6
69.03416	15.4
69.06690	2.3
69.07063	42.9
70.06580	8.4
70.70207	3.8
71.04993	7.1
71.06932	1.6
71.08632	2.0
72.08155	11.2
73.02917	3.6
78.80772	1.9
79.05021	3.4
79.05485	56.3
81.01810	1.7
81.03411	32.8
81.07047	100.0
83.01370	2.5
83.04980	11.5
83.08596	11.2
84.04485	2.0
84.08137	5.3
85.02895	10.2
85.06529	4.3
91.05466	33.1
92.05829	1.8
93.03386	2.1
93.06432	3.3
93.07033	59.0
94.06563	1.9
95.01318	19.9
95.04958	31.9
95.08591	52.5
97.02882	16.8
97.06526	22.9
97.10147	21.7
99.04458	4.3
99.08089	2.6
101.06012	5.3
103.05461	4.3
105.03379	2.9
105.07024	31.9
107.04933	24.5
107.08575	39.8
107.09254	3.2
109.02868	15.6
109.06496	10.3
109.10146	36.1
111.04445	6.3
111.08068	9.5
111.11700	5.0
114.10265	10.4
115.05392	3.0
117.07023	12.7
119.04926	4.0
119.08572	25.9
120.08102	2.2
121.02865	6.2
121.06498	11.9
121.10134	59.5
122.09650	2.5
123.04406	14.5
123.08067	11.6
123.11686	6.9
125.02345	6.0
125.09630	9.5
127.03915	5.2
129.05457	3.3
129.06973	8.8
130.07707	2.2
131.04901	4.1
131.08556	14.8
133.02820	3.0
133.06505	5.1
133.10107	14.6
135.04401	56.5
135.08054	7.5
135.11673	11.1
136.06190	5.2
137.02310	2.6
137.06007	4.6
137.09598	6.5
139.03943	2.4
139.11168	30.7
141.01840	5.1
141.06978	6.6
143.08539	8.1
145.06500	5.0
145.10081	18.6
147.04364	9.4
147.06612	2.4
147.07994	4.0
147.11696	7.7
149.05954	2.8
149.09627	10.2
149.13264	6.4
151.03886	56.3
151.07578	2.8
151.11176	3.9
153.06984	2.7
155.08604	2.6
157.06445	3.1
157.10136	5.8
159.04419	2.9
159.08002	4.3
159.11667	18.3
161.05980	2.7
161.09639	5.1
161.13277	7.5
163.03920	6.4
163.07474	3.1
163.11174	9.0
163.14818	5.1
165.01814	8.9
165.05507	4.4
167.07011	4.9
167.10675	2.2
169.04951	18.8
169.10130	6.5
171.11702	4.5
173.09628	8.7
173.13206	3.3
175.07591	2.5
175.11145	3.8
177.12753	8.3
179.03354	3.1
181.04958	5.1
181.06435	2.1
181.09982	2.7
183.02849	5.1
185.09744	2.3
187.07509	2.5
187.11172	11.1
189.12737	2.4
191.03381	3.9
191.14301	2.4
191.17931	11.3
193.12192	3.6
195.02980	2.7
195.06535	2.6
199.11224	4.0
201.16377	16.4
203.12756	36.3
205.12256	6.9
217.12289	2.7
219.13936	4.0
219.17413	26.2
219.37798	1.9
223.13246	20.0
225.16486	2.6
227.10579	3.7
237.18491	6.5
239.16385	2.7
243.17505	1.9
245.11768	3.9
250.09352	5.1
255.06470	3.1
261.11292	2.9
261.18436	2.3
263.16473	5.0
264.19922	2.0
265.08502	6.0
265.19794	3.2
267.06528	46.3
268.06885	2.8
271.16953	5.8
277.08624	1.9
279.06439	6.4
281.08066	6.9
281.35968	1.8
283.05994	6.5
289.14636	4.1
289.17923	5.6
291.06693	2.1
293.08075	16.7
295.06070	5.5
297.07620	2.9
299.12839	3.5
301.14392	2.7
305.08096	3.0
307.09650	6.9
307.15253	2.4
309.07660	10.6
311.05707	2.4
313.06915	2.3
317.08096	3.8
317.13803	8.6
319.15103	3.0
321.07587	21.6
327.12219	4.1
333.07584	5.1
335.09082	5.8
335.14877	4.6
337.07068	16.4
337.13043	2.6
337.21896	2.3
345.07535	7.3
345.13364	7.2
351.08609	7.1
354.22787	4.0
355.23132	23.2
363.08658	14.2
363.14252	8.9
363.21558	3.5
381.09634	16.7
381.15295	10.1
381.22900	5.8
399.10779	11.0
399.19144	5.2
399.25552	29.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1647
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.5
55.01869	1.5
55.05483	0.8
56.05048	0.7
56.99923	0.6
57.03431	6.3
60.05630	0.7
60.78276	0.7
61.02904	3.0
63.94933	0.7
66.77368	0.6
69.03420	9.7
70.06582	2.8
70.47375	0.7
71.04977	1.5
71.08596	1.2
71.14362	1.3
71.56837	0.6
72.08140	1.5
73.02897	1.0
75.04475	0.9
81.03403	4.6
81.38877	0.6
84.04483	0.7
84.08126	2.3
85.02896	26.0
86.09700	1.3
87.04475	1.1
91.05483	1.0
95.04950	1.1
97.02890	9.1
99.04433	2.3
102.04675	1.1
103.03983	3.2
103.05457	49.4
105.07024	1.3
109.02890	4.0
111.04440	1.1
117.05475	1.7
127.03909	6.4
129.05466	1.0
130.04132	1.7
131.04913	100.0
132.05208	1.5
133.06485	0.8
136.06145	2.9
145.04991	3.2
147.06560	0.8
148.05185	11.1
152.07082	5.0
159.06607	1.0
160.07281	0.7
161.05966	3.6
162.06689	0.8
163.07527	44.1
166.08606	0.9
174.06633	0.7
175.07547	1.9
182.08058	1.6
183.06641	0.8
188.07018	1.2
189.07463	1.2
194.08110	5.5
201.09091	2.4
212.09135	3.5
237.09247	0.9
237.11282	1.5
250.09390	2.1
263.35867	0.6
271.10669	1.1
399.16522	0.9
399.71497	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	399.1441
Annotation	S-Adenosyl-L-methionine
Peak:m/z	Relative Intensity
54.59798	1.0
56.05029	21.9
56.96571	1.2
59.70809	1.1
61.01146	6.4
69.03417	10.4
69.42904	2.9
69.43308	7.4
70.06564	1.5
72.08151	1.6
74.02441	5.7
74.06064	7.0
75.02692	3.2
84.04485	3.3
85.02926	1.2
86.09702	1.3
97.02881	77.2
98.97572	3.4
102.05525	32.2
103.02120	1.8
110.07158	3.1
116.82233	1.0
116.98624	2.0
119.04909	2.0
121.01643	1.2
134.07082	1.0
134.99663	1.4
135.05394	1.6
136.06169	100.0
137.06450	2.2
145.03137	3.1
147.03247	2.0
147.04366	11.8
148.04736	7.4
158.99646	2.4
163.02721	1.5
163.04230	2.8
173.01262	1.2
177.00644	1.8
189.00493	1.7
189.04280	2.7
198.98438	2.5
219.01782	1.9
225.01266	3.7
228.05798	3.1
240.44832	1.2
250.09328	90.5
251.09619	1.8
264.08972	4.4
277.02521	1.3
279.03162	2.0
291.02780	1.3
298.09610	15.5
381.01840	1.3
399.12640	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	399.1646
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12151	0.4
52.58362	0.5
53.03931	1.1
55.01875	0.6
57.03436	6.2
58.38990	0.5
61.02923	3.1
65.40652	0.5
69.03423	9.3
70.06568	1.5
71.01353	0.6
71.04999	1.0
71.74448	0.8
73.02891	1.3
73.63193	0.5
75.04475	1.5
81.03410	4.8
83.04950	0.6
84.08124	0.9
85.02898	24.5
87.04458	1.6
91.03931	0.6
97.02887	6.0
99.04484	2.3
102.04678	1.0
103.03996	3.3
103.05460	47.1
104.05779	0.6
105.07039	0.9
105.40592	0.5
108.54586	0.4
109.02861	3.2
110.07179	0.6
115.03938	0.6
117.05476	1.8
127.03904	6.9
128.85916	0.5
129.05470	1.0
130.04137	2.2
131.04918	100.0
132.05258	1.6
133.06491	1.2
136.06183	1.1
145.04939	3.6
145.06508	0.5
148.05180	11.7
148.06369	0.6
161.05951	4.4
162.06778	0.9
163.07529	47.3
164.07896	1.0
173.09549	0.6
175.07520	1.0
201.07437	0.7
201.09119	2.2
205.08604	0.5
219.06485	0.6
237.11282	1.4
248.88020	0.5
250.09413	0.9
283.88885	0.6
397.13370	0.5
402.58618	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	3.1
57.03422	5.6
62.62974	1.9
68.69738	1.8
69.03423	46.0
71.00712	2.4
71.04975	8.8
81.03404	33.1
83.01347	3.5
85.02900	51.6
87.00822	26.7
87.04448	5.3
90.88860	2.2
97.02882	75.3
99.04436	27.2
101.02284	2.1
105.01849	19.0
109.02880	13.0
115.03885	2.0
116.04955	7.3
127.03899	100.0
145.04938	74.8
231.04973	57.4
249.06073	15.7
249.48799	2.0
337.31512	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	399.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.9
55.01873	8.1
57.03423	4.3
61.02917	5.3
68.99790	3.3
69.03422	28.2
69.90278	7.7
71.04985	4.6
73.02911	11.2
81.02210	1.4
81.03408	27.0
85.02897	83.1
87.00820	26.9
91.03947	2.8
97.02882	46.4
99.04446	17.5
99.49796	1.4
105.01852	39.5
105.02513	2.8
109.02866	31.8
109.03621	1.7
116.04966	24.1
117.01845	3.0
117.39909	1.4
127.03900	100.0
129.01842	4.8
145.04944	64.7
147.02881	6.2
158.06029	2.2
158.89058	1.6
159.02882	32.7
177.03865	2.1
213.03970	3.1
231.04987	25.0
249.06026	3.5
303.24054	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1261
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05015	2.7
56.96556	0.8
57.07063	0.8
58.07064	0.6
58.68591	0.6
61.01143	0.8
69.03402	1.2
70.06577	3.5
71.08617	1.1
71.73930	1.0
74.02422	1.3
74.06051	1.8
81.03401	0.7
84.04471	1.1
84.08129	1.3
97.02881	13.9
98.97540	0.7
100.51958	0.6
101.05995	0.9
102.05541	6.1
110.07134	1.9
111.04411	1.1
129.05463	0.7
136.06171	16.8
147.04391	2.4
147.06459	0.9
148.04793	0.9
158.12968	0.7
192.35892	0.6
209.80284	0.7
221.17842	0.6
250.09351	16.1
250.11949	1.1
298.09518	3.0
399.12592	100.0
400.12848	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1072
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03916	0.3
55.01867	1.2
55.05474	0.3
56.53365	0.1
57.03428	0.7
61.02919	0.5
65.03925	0.2
67.05493	0.5
68.99761	1.0
69.00114	0.1
69.03413	0.4
69.07019	0.3
70.06551	0.3
71.01306	0.1
71.74873	0.2
72.08115	0.3
73.02866	0.2
77.03912	0.1
78.39007	0.1
79.05482	0.6
81.03006	0.1
81.03406	1.2
81.06607	0.1
81.07043	1.7
83.01338	0.1
85.02892	1.7
89.03966	0.1
89.14204	0.1
91.05457	1.0
92.99731	0.4
93.03365	0.2
93.07029	0.6
95.01302	0.1
95.04948	0.9
95.08595	1.0
97.02880	0.8
97.06489	0.3
97.10150	0.2
99.00761	0.1
103.03918	0.2
103.05453	1.1
105.03378	4.3
105.07030	0.5
107.04948	0.7
107.08586	0.6
109.02858	1.2
109.06464	0.2
109.10132	0.5
113.55344	0.1
114.10249	0.1
115.05422	0.3
117.07021	0.1
119.04886	0.4
119.08531	0.3
121.02852	0.8
121.10133	0.7
123.00825	0.4
123.08002	0.1
125.09594	0.2
127.03872	0.2
129.03348	2.5
129.05385	0.1
131.04877	0.5
131.08507	0.2
133.06432	0.1
133.10065	0.1
135.04362	0.6
135.07991	0.1
135.11586	0.2
136.06155	0.1
137.02344	0.5
139.11162	0.1
141.01811	2.2
141.06970	0.1
143.04881	0.1
145.02855	0.5
145.10039	0.1
147.03299	0.1
147.04390	1.8
149.02287	0.5
151.03847	0.3
151.27246	0.1
153.01768	0.2
153.05347	0.1
159.04382	0.5
159.11703	0.1
161.02350	0.2
161.13223	0.1
163.00249	0.2
163.03897	2.3
165.01814	10.1
166.02103	0.2
167.03386	0.7
167.08551	0.1
169.02759	0.4
171.04323	0.3
173.02333	0.2
175.03867	0.3
177.01750	0.3
177.05426	0.2
177.12671	0.1
178.07837	0.1
179.03394	0.2
181.04942	1.6
183.02866	5.7
184.03210	0.1
187.03882	1.2
189.01811	0.6
190.02571	0.2
190.99678	0.2
191.03366	1.5
191.08495	0.1
191.17848	0.3
193.04799	0.1
195.02921	0.1
195.08032	0.1
197.00735	0.2
197.09602	0.1
199.03786	0.1
201.16341	0.3
202.02560	0.1
202.07794	0.1
203.03342	0.4
205.04898	0.9
205.10185	0.1
207.02867	0.5
209.00780	0.2
209.04362	0.3
213.05482	0.4
215.03340	0.7
215.08598	0.2
217.12683	0.1
219.08020	0.1
219.17426	0.5
221.04408	0.4
222.06705	0.1
223.07484	0.7
226.06149	0.2
231.02908	0.2
233.04353	0.8
236.08305	0.2
237.09048	0.5
237.18391	0.2
239.06947	0.6
243.02867	0.6
247.07541	0.3
249.09109	0.1
250.06158	0.1
250.09308	0.2
251.06990	3.6
252.07562	0.1
253.05164	0.2
253.08603	0.1
254.05684	1.0
255.06493	6.7
256.06952	0.2
257.04373	0.6
260.08240	0.1
261.03915	0.6
261.09058	0.5
263.07004	2.0
264.07761	0.3
265.05249	0.4
265.08569	13.3
266.05945	0.1
266.08990	0.4
267.06476	100.0
268.06897	3.7
273.09149	0.4
275.06970	0.5
277.08676	1.0
278.05704	1.0
279.06470	9.3
279.10040	2.2
280.07080	0.4
281.04501	0.7
281.08054	3.4
282.08340	0.1
283.05957	0.1
289.08554	3.3
289.17819	0.1
290.08942	0.1
291.06497	3.3
292.07233	2.3
293.04538	1.9
293.08011	33.0
294.05310	0.1
294.08359	1.1
295.06036	0.9
295.09268	0.2
296.06659	0.1
297.04150	0.2
297.07529	3.2
303.06348	0.1
304.07233	0.3
305.08060	3.4
306.08527	0.3
307.06158	0.8
307.09583	12.3
308.09888	0.5
309.07593	0.8
311.09027	0.2
313.06403	0.1
315.06506	0.1
317.08047	4.6
318.08292	0.2
319.05927	0.8
319.09604	0.2
321.07523	43.2
322.07898	1.7
333.07526	11.8
334.08099	0.5
335.04999	0.2
335.09079	2.7
337.07147	0.2
339.08621	0.4
345.07541	11.1
346.07779	0.5
351.08578	13.7
352.08984	0.6
363.08578	17.2
364.08902	0.9
381.09641	14.4
381.22839	0.2
382.10040	0.6
399.10693	10.9
400.11066	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1071
Annotation	Auramycinone
Peak:m/z	Relative Intensity
53.03910	0.3
55.01826	1.0
55.05452	0.2
57.03382	0.7
57.03649	0.2
61.02866	0.5
67.05453	0.6
68.99757	1.1
69.03363	1.0
70.03709	0.2
70.06586	1.1
71.73330	0.3
72.08096	0.5
72.94111	0.2
73.02835	0.2
75.46878	0.2
79.05450	0.5
81.03405	1.1
81.06985	0.6
84.08097	0.4
85.02898	1.8
86.09653	0.4
91.05466	0.9
92.99704	0.4
93.07014	0.3
95.04974	0.9
95.08583	0.4
97.02865	1.2
97.10143	0.2
97.47940	0.2
103.03949	0.2
103.05457	1.1
105.03384	4.4
105.06979	0.5
107.04906	0.5
107.08545	0.5
109.02883	1.1
109.06451	0.4
109.10155	0.3
110.82899	0.2
114.10248	0.4
115.05412	0.3
119.04903	0.4
119.08507	0.3
121.02798	0.7
121.10091	0.2
123.00767	0.4
127.03869	0.3
129.03336	2.6
131.04868	0.8
131.08516	0.2
133.10074	0.4
135.04346	0.6
135.11717	0.3
136.06151	0.4
137.02267	0.5
141.01820	2.3
145.02817	0.5
145.10075	0.4
147.04396	1.7
149.02258	0.5
153.01790	0.3
159.04361	0.5
159.11685	0.2
163.03909	2.4
163.11163	0.2
165.01823	10.1
166.02095	0.3
167.03403	0.9
168.62146	0.2
169.02814	0.4
171.04395	0.4
173.13113	0.2
175.03830	0.3
177.01790	0.5
177.05452	0.3
179.03362	0.2
181.04973	1.8
183.02879	5.7
187.03912	1.5
189.01755	0.7
189.07225	0.2
191.03387	1.3
191.08450	0.2
195.02817	0.2
199.03917	0.2
203.03374	0.4
205.04927	1.0
207.02872	0.6
208.03729	0.2
209.04259	0.3
213.05333	0.9
215.03354	0.8
215.08652	0.2
219.13809	0.5
219.17331	0.3
221.04324	0.2
223.07513	0.7
226.06189	0.3
233.04300	0.8
237.09029	0.7
239.07040	0.7
243.02841	0.6
247.07541	0.5
250.06143	0.2
250.09303	0.4
251.07005	3.4
253.11446	0.2
254.03239	0.2
254.05681	1.1
255.06502	6.5
257.04367	0.5
261.03915	0.6
261.09027	0.4
263.07028	2.1
264.07635	0.3
265.05194	0.6
265.08582	13.5
266.08875	0.4
267.06494	100.0
268.06927	3.2
273.08975	0.3
275.06979	0.7
277.08649	0.9
278.05670	0.8
279.06540	12.3
279.10068	2.2
280.07031	0.4
281.04504	0.9
281.08069	3.0
289.08582	3.5
289.14194	0.3
291.06503	2.9
292.07303	2.1
293.04553	2.0
293.08035	35.0
294.08429	1.1
295.05945	0.8
297.07584	3.3
299.05408	0.3
300.05692	0.2
301.06088	0.5
303.06641	0.3
304.07248	0.3
305.08069	3.6
307.06180	0.8
307.09607	13.2
308.09872	0.5
309.07718	1.0
311.05469	0.3
317.08090	4.6
319.06009	0.9
321.07547	44.8
322.07843	1.5
333.07544	11.3
334.07742	0.4
335.09024	2.6
339.08441	0.6
345.07559	12.3
346.07983	0.3
351.08603	15.0
352.09085	0.5
353.09109	0.3
363.08603	18.6
364.09003	0.5
381.09647	16.3
382.10004	0.6
399.10709	13.9
399.19955	0.6
400.11243	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.976
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96558	9.7
66.50900	0.5
69.87836	3.7
71.95243	1.6
97.02876	1.5
98.21264	1.6
98.97572	64.1
113.03465	0.6
116.98608	60.3
119.01895	0.6
130.93330	0.9
134.99646	32.7
140.00165	2.4
153.00665	5.1
154.93388	0.6
158.01233	2.3
172.94348	2.3
177.00928	0.9
178.01083	0.6
186.12831	0.6
190.95367	4.1
192.98700	1.0
208.96515	2.7
214.95418	1.1
219.02092	0.6
232.96408	7.8
233.96912	0.7
234.99828	1.6
250.97601	4.6
256.96429	12.4
258.99786	4.7
259.99997	0.7
261.03171	1.2
262.03207	0.7
272.94376	1.0
274.97488	100.0
275.97739	1.6
276.97867	1.1
277.00861	5.2
279.00827	1.3
282.99878	1.8
292.98538	68.9
293.98859	1.0
297.99060	5.0
298.97711	5.1
301.00925	3.1
302.00931	0.6
303.00809	0.9
310.99731	0.8
316.00082	3.9
316.98816	9.7
317.98926	1.5
332.39319	0.6
356.98102	0.9
374.99194	5.1
398.97876	2.7
416.98746	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	399.1072
Annotation	Auramycinone
Peak:m/z	Relative Intensity
51.97856	0.1
53.03911	0.3
54.39969	0.1
55.01640	0.1
55.01867	1.0
55.05473	0.3
57.03429	0.8
59.13866	0.1
61.02893	0.4
65.03899	0.2
67.05457	0.4
68.99764	1.1
69.03422	0.5
69.07027	0.3
70.06551	0.2
70.19936	0.1
71.01290	0.1
71.04945	0.1
71.29642	0.2
72.08119	0.3
73.02905	0.2
76.49435	0.1
77.03907	0.1
79.05456	0.4
81.03409	0.9
81.07039	1.0
83.01307	0.1
83.04934	0.1
85.02901	1.2
89.03883	0.1
91.05468	1.0
92.99756	0.5
93.03356	0.1
93.06992	0.4
95.01310	0.1
95.04961	1.0
95.08575	0.6
97.02873	0.8
97.06500	0.2
97.10129	0.1
99.04384	0.1
101.05988	0.1
103.03885	0.3
103.05444	1.1
105.03378	4.4
105.06998	0.2
107.04945	0.6
107.08534	0.3
109.02856	1.2
109.06478	0.1
109.10085	0.3
114.10251	0.3
115.05409	0.4
119.04915	0.4
119.08560	0.1
121.02843	0.9
121.06505	0.1
121.10137	0.5
123.00830	0.3
123.04399	0.1
129.03352	2.5
129.05528	0.1
131.04893	0.5
133.02831	0.1
133.10060	0.1
135.04396	0.5
136.06151	0.2
136.45461	0.1
137.02307	0.5
141.01814	2.3
145.02832	0.6
147.03276	0.2
147.04379	2.0
149.02370	0.5
151.03981	0.2
153.01775	0.3
159.04398	0.4
161.02391	0.1
163.00191	0.2
163.03885	2.4
165.01817	10.6
167.03374	0.8
169.02826	0.2
171.04375	0.4
173.02336	0.1
175.03871	0.3
177.01781	0.5
177.05441	0.3
179.03334	0.2
181.04938	1.6
181.06473	0.2
183.02867	5.5
187.03868	1.3
189.01768	0.7
190.02525	0.1
190.07713	0.1
190.99692	0.2
191.03383	1.3
191.08589	0.2
191.17912	0.2
197.02365	0.1
197.09541	0.1
198.33087	0.1
199.03859	0.3
201.16280	0.1
202.07831	0.1
203.03343	0.4
203.08531	0.2
205.04910	0.8
207.02914	0.5
209.00842	0.2
209.04378	0.2
209.09584	0.1
213.05507	0.7
215.03314	0.8
215.08537	0.2
219.02728	0.1
219.17403	0.6
221.04442	0.3
223.07483	0.6
226.06213	0.3
231.02737	0.1
233.04442	0.8
236.08211	0.2
237.09029	0.5
237.18279	0.1
238.06084	0.1
239.07062	0.7
240.07697	0.1
240.56064	0.1
243.02815	0.7
247.07510	0.4
250.06252	0.2
251.07024	3.4
251.10884	0.2
252.07231	0.1
253.04935	0.1
254.05716	0.8
255.06497	6.3
256.06723	0.1
257.04288	0.6
261.04126	0.6
261.09213	0.5
263.06979	2.0
264.07672	0.4
265.08572	13.5
266.05872	0.2
266.08847	0.3
267.06479	100.0
268.06903	3.2
269.07880	0.1
273.09039	0.2
275.07016	0.5
277.08615	1.1
278.05740	0.8
279.06494	9.3
279.10062	2.4
280.06961	0.3
281.04465	0.9
281.08063	3.3
283.06104	0.2
289.08545	3.4
290.08789	0.1
290.37656	0.1
291.06494	3.2
292.07217	2.3
293.08020	32.9
294.05344	0.2
294.08417	1.0
295.06155	0.9
295.09311	0.2
297.07568	3.2
304.07330	0.5
305.04510	0.2
305.08047	3.5
306.08472	0.2
307.06195	0.7
307.09592	12.3
308.09830	0.3
309.07492	0.8
315.06415	0.1
317.08047	4.4
318.08234	0.2
319.06134	0.7
319.09406	0.2
320.06699	0.2
321.07529	45.5
322.07822	1.5
333.07535	11.8
334.07870	0.4
335.05090	0.1
335.09079	2.7
337.07095	0.3
337.85165	0.1
339.08420	0.4
345.07541	11.8
346.07861	0.4
351.08588	14.6
352.09039	0.5
363.08585	18.6
364.08920	0.6
381.09647	15.3
382.10144	0.5
399.10699	12.1
400.11041	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.2897
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.0
55.05503	2.9
56.05032	0.3
57.03431	0.5
57.07067	0.9
58.06600	0.2
67.05499	3.6
68.05019	2.0
69.03421	19.3
69.07066	1.5
69.66148	1.9
70.03724	0.2
70.06219	0.3
70.06588	4.7
71.04987	0.6
71.08616	0.4
72.08118	0.3
72.93793	0.3
79.05482	1.9
81.03407	0.9
81.07051	5.1
83.04979	0.4
83.08616	1.5
84.08163	0.2
85.06516	0.3
85.10192	1.2
86.06057	100.0
87.04456	6.3
87.06407	0.9
88.07645	0.2
91.05470	2.2
93.07026	2.4
95.04958	1.3
95.08586	2.4
97.02886	0.4
97.06525	0.7
97.10174	0.7
99.08046	0.4
101.88152	0.2
104.07092	7.1
105.07003	1.7
107.04971	0.4
107.08576	1.7
109.06484	0.5
109.10163	1.1
110.10506	0.3
111.04462	0.3
111.08060	1.4
113.09631	1.0
116.98478	0.4
117.07005	0.4
119.08584	1.6
120.08910	0.2
121.06475	0.6
121.10127	1.3
123.08057	0.5
123.11700	0.9
125.09648	0.5
129.07018	0.4
131.00027	0.4
131.08583	0.8
133.10089	1.1
135.11691	0.9
136.06133	0.3
140.98460	0.9
143.00009	0.4
143.08562	0.4
145.06445	0.3
145.10088	0.6
147.11682	1.9
149.09641	0.3
149.13228	0.4
151.11188	0.6
157.10057	0.4
159.11688	0.5
161.13286	0.5
163.11143	0.4
165.12741	1.7
167.00017	0.3
173.09518	0.3
173.13260	0.3
174.99005	0.7
175.11163	0.3
177.12697	0.3
179.14284	0.3
185.01085	0.4
185.13219	0.3
185.80191	0.2
189.00560	0.9
193.12308	0.3
199.02612	0.3
202.03828	0.3
207.06812	0.3
207.13838	0.4
244.19006	0.3
249.22166	0.4
250.09261	0.4
251.05669	0.3
259.20599	0.2
261.14679	0.4
269.06805	0.2
271.16974	0.3
277.21597	7.9
278.21936	0.3
281.08279	1.1
282.08554	2.5
283.08340	2.1
289.14471	0.6
295.22614	5.8
299.09351	0.5
300.09714	0.4
301.15494	0.7
307.15356	0.5
323.11267	0.4
324.26730	0.3
348.13388	0.3
348.92419	0.3
380.28006	0.4
398.28946	23.9
399.16217	0.3
399.29288	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.1806
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03412	1.2
70.06593	1.1
70.35146	0.4
71.13003	0.7
71.13329	0.7
72.08146	18.9
73.06547	0.8
81.03389	0.5
81.39353	0.4
85.02889	3.3
88.50941	0.5
90.09184	5.4
91.05451	3.3
97.02870	1.4
109.02917	0.7
119.04925	14.0
122.31846	0.5
129.10205	0.7
141.73479	0.5
147.04390	100.0
148.04745	2.0
176.86812	0.5
196.25185	0.4
236.12791	40.0
237.13164	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.1807
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	0.2
53.00322	0.2
65.03929	0.5
66.26788	0.1
69.03413	0.5
70.88284	0.4
72.08147	6.4
85.02886	0.2
90.09184	0.8
91.05470	4.5
97.02878	0.2
117.36704	0.1
119.04932	15.2
120.05244	0.1
127.03889	0.5
130.81599	0.1
132.60953	0.2
133.47194	0.1
138.54395	0.1
141.95906	0.1
147.04393	100.0
148.04698	1.4
165.05455	0.4
170.83658	0.1
184.69261	0.1
198.77209	0.1
232.65562	0.1
236.12825	1.0
291.08566	0.9
309.06281	0.1
309.09607	2.0
398.18240	0.9
398.98798	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.2687
Annotation	3,4-Dihydroxy-2-methy-4-[(2E,6E)-farnesyl]-3,4-dihydroquinoline 1-oxide
Peak:m/z	Relative Intensity
53.03937	1.2
55.01857	0.9
55.05504	4.3
56.05019	0.7
57.03425	1.0
57.07057	1.9
59.05001	0.7
65.03899	0.6
66.17190	0.5
67.05501	6.4
68.05007	2.7
69.01665	0.5
69.03426	1.4
69.07060	4.8
69.45418	4.9
70.06587	18.0
71.04985	1.8
71.06919	0.5
72.08170	0.7
73.02870	0.6
73.91793	0.5
79.05483	8.0
80.05006	0.9
81.03403	1.5
81.07047	10.8
82.06555	0.8
82.07354	0.9
83.04958	1.0
83.08612	2.5
84.04490	0.7
84.08111	1.1
85.02859	0.7
85.06523	1.2
86.09679	0.6
87.04467	0.7
89.06037	0.7
89.93809	0.5
91.05473	11.2
93.07039	13.5
94.06523	2.8
95.04955	5.0
95.08594	8.2
96.08130	3.9
96.08933	0.5
97.02875	1.3
97.06500	1.2
97.10159	0.9
98.06062	1.1
100.07594	4.8
103.05428	1.1
105.07017	17.0
106.06541	1.0
106.56475	0.5
107.04997	0.9
107.07414	0.7
107.08588	10.5
108.08127	2.5
108.08807	0.7
109.02824	0.7
109.06506	2.0
109.10148	6.3
111.08050	1.1
114.05532	5.7
115.05454	1.4
116.07063	7.5
117.06998	5.9
119.04895	0.8
119.08569	18.1
120.08118	5.3
120.08921	1.0
121.06448	1.0
121.10127	6.4
122.09668	2.9
123.08031	2.3
123.11689	0.8
125.09576	1.0
126.05494	0.8
127.03895	0.6
128.06195	1.2
128.07048	6.0
129.06982	3.6
130.07764	2.2
131.08566	10.5
132.08031	0.8
133.06387	0.5
133.08743	0.8
133.08942	0.8
133.10110	10.2
134.09666	1.8
135.08040	2.9
135.11670	2.5
136.06126	1.6
136.11205	1.9
137.06004	0.8
137.09599	1.7
140.10767	0.6
141.06987	0.7
142.07753	1.8
142.08705	0.8
143.08551	7.6
144.09319	1.0
145.06447	0.6
145.10104	13.7
146.09602	1.2
147.08029	0.9
147.11667	4.1
148.11159	5.8
149.05870	0.6
149.09549	1.1
149.11989	0.8
150.12784	1.0
151.06259	1.8
154.08614	2.0
155.08490	2.5
156.09325	1.9
157.07555	0.7
157.10106	6.5
158.10925	1.7
159.08005	0.6
159.11671	5.2
160.11215	1.7
160.12439	0.5
161.09613	1.8
161.13300	1.4
162.12759	0.7
162.67944	0.6
163.11206	0.8
164.07065	1.3
165.09114	1.3
166.08617	1.2
167.08553	1.2
168.10202	22.2
169.10042	3.0
170.10794	0.5
171.11673	4.1
173.09641	1.6
173.13248	5.9
175.14842	3.4
177.12668	0.6
178.08620	6.0
179.09438	0.6
181.10149	1.8
183.11621	4.7
184.12407	0.9
185.13235	2.9
187.14830	2.2
191.10646	4.1
191.12163	0.7
191.14270	0.7
192.10225	3.6
193.10077	0.7
194.11810	12.2
195.11760	2.6
196.12466	0.6
197.13234	2.6
199.14862	1.9
203.14348	0.7
205.15810	0.8
206.11768	1.0
208.13254	0.5
209.13216	3.8
210.70465	0.5
211.14836	1.5
212.14177	0.6
223.14838	1.6
223.45392	0.6
226.10829	0.8
234.14832	1.0
235.14844	1.3
239.18073	0.8
244.13281	1.0
250.09390	1.0
253.15961	0.8
257.19000	0.8
258.14981	1.0
259.15430	0.6
260.16479	4.3
263.16345	0.7
265.19479	1.8
267.06491	0.8
267.21130	0.9
271.16867	0.6
283.20520	1.1
288.19513	0.9
289.17950	1.0
297.07593	1.5
306.20654	3.3
307.09592	0.7
363.21130	0.6
380.08496	0.6
380.25800	9.4
381.22186	0.6
398.26880	100.0
399.10678	2.1
399.27194	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	398.1668
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07483	0.8
51.08754	0.8
56.05017	1.8
60.04508	1.5
67.05485	2.2
69.03423	1.4
69.07063	7.7
70.06583	13.9
70.45026	3.0
71.78426	0.8
72.08147	11.1
74.06036	1.2
81.03399	1.9
84.04492	2.3
84.08125	7.9
85.02868	2.7
86.09698	4.8
91.05486	5.1
97.02847	2.3
98.20718	1.1
102.05498	1.5
110.07166	6.6
119.04917	10.9
120.08108	1.5
124.06150	1.4
125.04576	2.8
127.03868	1.1
129.10214	3.1
131.04901	1.8
136.06142	4.0
136.07535	1.5
147.04396	87.0
148.04729	1.7
152.05656	64.4
153.04138	1.0
158.07071	1.1
164.05663	10.2
168.05151	39.5
180.05148	5.3
185.09212	1.2
201.07678	7.8
218.08362	2.0
218.10358	30.1
236.11380	100.0
237.11578	2.6
250.09450	2.3
275.06995	1.0
291.08560	1.1
309.09515	1.5
318.27621	1.0
327.98474	1.0
340.80954	1.0
370.25299	1.2
395.49084	1.1
398.16669	18.8
399.22903	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.1668
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03919	0.4
55.05485	0.4
56.05009	0.7
57.07055	0.4
58.99537	0.4
60.04504	0.7
67.05481	1.4
69.03401	0.9
70.06584	6.3
71.03692	0.6
71.04038	1.0
72.08146	5.4
83.06080	0.7
84.04498	1.0
84.08131	3.3
85.02858	1.2
85.06525	0.7
86.09682	3.0
91.05447	1.9
92.81598	0.5
93.04492	0.5
97.02859	1.4
107.67773	0.5
110.07132	3.3
116.07079	0.9
118.17736	0.4
119.04922	6.2
120.08062	0.9
124.06142	1.1
125.04607	2.5
127.03896	0.5
129.10196	1.2
131.04977	0.5
135.03001	1.1
136.06178	2.4
136.07552	0.8
145.02824	0.5
147.04390	40.2
148.04700	0.5
151.42398	0.5
152.05655	86.3
153.04022	1.4
153.05986	0.6
157.09694	0.9
158.07140	0.9
163.07516	0.4
164.05659	14.1
176.05716	0.5
176.09364	0.4
180.05144	0.9
185.09213	0.5
188.07008	0.7
201.07700	10.2
218.10347	36.4
219.10724	0.6
219.21448	0.4
236.11392	100.0
237.11726	2.2
250.09338	0.9
262.89224	0.5
284.15955	0.8
308.99124	0.5
309.09680	1.2
398.16675	17.7
399.17029	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.1666
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.6
54.09841	0.4
55.05502	1.1
55.65633	0.5
56.05011	1.0
57.03422	0.7
60.04506	1.4
65.03922	0.7
67.05489	2.5
69.03405	2.0
69.06688	0.7
69.07059	12.4
69.66056	2.8
69.66455	1.0
70.00423	0.4
70.04047	0.5
70.06583	4.6
72.08137	1.5
74.06042	0.8
79.05471	0.6
81.03400	0.9
82.04057	0.6
84.04482	1.3
84.08133	2.3
85.02882	3.7
85.06512	0.5
85.07644	0.5
86.09678	2.3
87.09219	0.8
91.05475	2.3
94.04015	1.0
95.02443	0.9
97.02869	3.9
97.05135	7.6
98.03530	2.3
98.09681	0.6
100.11237	1.0
102.05501	0.6
105.07029	0.8
107.04961	1.1
109.02827	0.6
110.03531	0.8
110.07128	2.2
111.04376	0.6
111.46548	0.5
112.05079	23.7
114.03025	0.8
120.08083	1.3
121.07623	0.8
123.03021	1.1
124.05066	5.8
125.04578	7.1
126.02988	0.6
127.03892	1.1
129.10258	1.3
131.04939	0.5
131.74197	0.5
132.08081	6.0
133.06496	0.8
133.07489	0.7
135.02994	1.4
136.06155	4.5
136.07571	0.5
137.04582	1.1
137.05960	0.6
140.05656	3.0
141.04094	2.8
144.06573	0.9
147.04350	0.9
150.04059	2.0
150.09122	7.1
151.02484	2.0
151.06088	0.9
152.03290	0.7
152.05655	17.9
153.04044	5.3
153.65091	0.5
158.07126	1.2
159.05504	0.7
161.05948	0.9
162.04126	0.9
162.07620	0.8
163.68549	0.4
164.05652	41.3
165.04192	0.5
165.06305	0.9
166.07274	0.7
168.05151	20.8
173.08234	1.0
174.04181	0.5
176.05637	1.5
178.07146	1.2
180.05135	1.5
180.11299	23.6
182.15407	0.9
191.09190	0.9
192.05127	1.4
193.10750	0.7
201.07692	13.8
206.06773	0.6
207.08653	0.8
210.06271	1.6
213.12454	0.6
218.10350	21.0
219.08836	0.5
220.11923	2.1
236.11391	100.0
237.11757	2.6
246.06097	0.6
250.09349	2.2
296.06320	0.8
312.09305	1.0
322.07834	0.6
326.10962	1.3
330.10413	3.5
334.07968	0.6
350.07419	1.4
380.08414	1.3
380.15524	2.4
398.16608	29.5
398.32501	1.0
399.16547	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.1444
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52375	0.3
62.76392	0.3
63.33405	0.3
69.03417	0.8
70.06578	1.4
70.09083	1.9
72.08131	0.9
72.87911	0.3
84.00494	0.3
85.02889	2.4
86.09695	1.0
97.02856	1.0
98.20753	0.4
103.05458	0.5
107.04913	0.4
116.07111	0.5
119.04945	0.5
127.03873	0.6
130.06541	0.7
131.04903	1.4
131.07298	1.5
132.08067	2.3
144.08083	1.0
147.04391	3.7
151.52321	0.3
154.06473	1.0
154.18279	0.3
159.06790	13.9
160.07581	4.8
163.07524	0.5
167.88942	0.3
170.06017	3.2
172.07565	37.8
173.07877	1.1
174.05537	0.4
175.06258	0.4
188.07053	73.9
189.07391	2.4
200.07051	14.3
201.07419	0.4
218.08115	23.5
219.08424	0.9
236.09157	100.0
237.09517	4.1
250.09328	0.5
266.08972	0.5
278.08200	0.4
398.14438	7.0
422.52121	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05023	0.9
60.04527	1.0
67.05473	0.8
67.86276	0.4
69.03417	1.1
69.04544	1.0
69.07060	35.4
70.06594	4.9
71.75746	0.7
72.08146	1.8
74.06070	0.4
81.04528	0.4
84.04507	1.1
84.08128	2.6
85.02901	1.7
86.09708	3.4
91.05469	1.6
93.19760	0.4
95.02445	2.9
97.02884	2.4
101.05991	0.5
101.07109	0.4
102.05534	0.9
103.05464	0.5
105.07058	0.7
110.07153	2.6
112.05078	100.0
113.05405	1.1
115.00855	0.4
116.07813	0.4
116.98637	0.5
117.63159	0.4
117.90176	0.3
119.04953	0.5
120.08057	2.0
124.05063	39.5
129.10217	1.5
131.04932	0.5
136.06195	2.3
136.07623	0.7
147.04402	1.4
156.07672	0.7
175.11839	0.4
177.05348	0.4
180.11301	88.7
181.11719	2.1
234.60165	0.4
241.48282	0.4
250.09311	2.4
357.32932	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.1554
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17079	0.5
56.05032	0.8
60.04494	0.7
67.05492	0.6
69.03431	0.8
69.04545	0.6
69.07059	32.6
70.06586	5.2
71.74519	0.5
71.74973	0.9
72.08131	2.1
75.62247	0.5
81.03413	0.4
83.06077	0.5
84.04494	1.4
84.08128	3.4
85.02889	2.2
85.08449	0.4
85.17850	0.5
86.09708	3.7
91.05474	1.3
92.21831	0.5
95.02438	3.9
95.06027	0.5
97.02910	2.1
102.05534	0.9
103.05474	0.5
110.07158	1.6
112.05077	100.0
113.05408	1.1
116.07062	0.5
120.08064	3.4
124.05063	36.4
125.05389	0.7
129.10243	1.1
133.08588	0.7
136.06163	1.9
136.07562	0.7
147.04369	1.0
161.64107	0.5
180.11299	83.6
181.11592	1.4
206.08041	0.5
242.85538	0.4
250.09390	2.0
259.96457	0.5
337.25781	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.1441
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84229	0.5
52.96599	0.5
52.97517	0.6
53.03928	1.2
56.05027	0.8
56.23131	0.5
57.03424	0.7
65.03938	1.0
69.03421	4.4
69.79523	4.0
70.06574	2.7
71.04972	1.1
72.08148	0.6
73.02905	0.8
79.05486	1.0
81.03405	6.1
84.04478	1.4
84.08127	1.0
85.02891	6.5
86.06037	1.0
86.09710	0.9
87.00797	2.1
91.05466	27.2
94.06531	1.2
94.07584	0.7
97.02883	5.6
98.06042	2.2
99.04429	2.1
102.05524	1.2
103.05457	1.2
105.01846	1.3
105.07013	13.3
105.57022	0.6
106.06515	0.8
108.04440	0.7
109.02872	8.3
110.77806	0.6
111.04384	1.0
115.05430	3.7
117.05750	11.8
120.08082	3.6
122.06033	1.3
126.05473	1.2
127.03893	8.0
130.06577	1.1
131.07263	1.2
132.08073	100.0
133.06476	16.5
133.08432	1.4
134.09604	0.7
144.06598	0.7
145.04944	5.0
150.05499	2.4
150.09125	78.2
151.09442	1.8
152.07008	0.7
159.02869	1.1
177.55760	0.7
205.72305	0.7
211.67496	0.7
231.04974	2.8
267.06696	0.8
290.08600	2.5
312.14371	3.0
336.14386	1.2
354.15350	3.2
380.08798	0.7
380.13403	1.0
398.09549	1.3
398.14401	15.3
399.15262	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.1442
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	0.4
56.05030	0.5
57.03421	0.6
57.25238	0.4
61.02916	0.5
67.05499	0.6
69.03410	1.2
70.06593	3.4
71.71617	0.4
71.72014	0.6
72.08147	4.4
74.06060	0.5
81.03399	1.0
84.04494	0.8
84.08131	1.2
85.02904	3.2
86.09706	0.8
90.91432	0.4
91.03925	0.5
91.05475	2.1
94.06602	0.4
97.02876	2.0
102.05524	0.5
103.05434	1.0
107.04915	1.5
109.02882	0.7
109.10133	0.4
110.07155	1.1
116.06986	0.4
117.05711	0.5
118.08568	0.4
119.04926	5.6
122.05971	0.4
127.03913	1.0
129.10242	0.4
130.06517	0.6
131.04892	1.5
131.07289	1.5
132.08115	2.4
136.06137	1.6
137.09668	0.6
139.57152	0.5
144.08067	1.6
145.04999	0.5
145.06471	0.5
146.06021	0.5
147.04399	29.3
148.04771	0.5
149.06146	0.5
154.06477	1.0
155.45859	0.5
155.97377	0.4
159.05446	0.9
159.06778	17.3
160.07567	5.6
163.03799	0.4
163.07571	0.8
166.72768	0.4
170.06015	3.9
172.07558	40.8
173.07913	1.0
174.05394	0.5
188.07051	76.0
189.07407	2.5
200.07045	15.3
201.07364	0.7
218.08104	22.5
219.08298	0.7
236.09152	100.0
237.09543	3.6
253.13321	0.4
266.08865	1.9
299.13925	0.5
381.18408	0.5
398.14398	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	398.0946
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31722	0.5
54.06861	0.5
55.01855	1.6
56.96552	1.2
57.03431	2.6
60.04503	0.6
61.02904	0.5
61.52633	0.4
69.03411	2.6
70.02939	1.8
70.06591	2.4
71.01353	0.9
71.33470	1.1
72.08143	1.2
73.02906	1.8
73.38752	0.5
74.39760	0.5
76.27606	0.5
83.41879	0.4
84.04484	0.6
84.08131	1.2
85.02901	4.2
86.09710	1.2
87.04460	0.6
91.05495	0.7
97.02901	3.4
97.06410	0.6
98.97571	1.5
102.05548	0.6
107.04952	0.7
110.03515	8.8
110.07146	2.3
115.03890	2.1
116.07103	0.5
116.98612	1.1
119.01909	0.9
119.04980	0.8
123.04297	0.7
127.03855	0.6
128.04526	1.1
131.01945	0.5
133.04959	1.9
134.99623	0.8
135.02988	0.6
136.01408	0.9
136.06195	2.4
136.07564	0.9
137.02382	0.8
141.05322	1.3
144.36676	0.4
146.05972	1.0
147.04407	2.3
150.11522	0.4
152.04498	1.1
153.04068	35.7
154.02461	14.1
154.04393	0.9
156.07732	0.6
160.07509	0.9
161.04550	0.8
163.03914	1.0
165.04050	7.8
166.04865	8.9
170.05975	0.4
171.04446	0.7
177.00815	0.7
177.04077	2.7
183.05106	4.8
184.33209	0.5
184.65442	0.5
188.07059	2.8
193.03659	1.0
195.01382	0.8
195.05063	0.5
198.03853	3.4
203.02072	0.6
204.05081	1.0
206.08095	0.6
213.02367	1.2
215.00058	0.5
219.01645	0.7
220.04654	9.0
221.04933	0.9
221.18730	0.7
223.04593	0.8
224.97195	0.5
228.05734	0.5
231.03468	0.9
237.02722	0.9
239.04115	4.3
242.98085	0.5
250.09477	1.3
253.75261	0.5
255.03413	0.6
266.05197	100.0
267.05536	2.2
270.94833	0.5
339.05740	2.4
357.06674	1.4
398.10071	1.1
398.21481	0.9
399.06442	0.6
399.12552	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.3826
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	2.5
55.05272	2.0
55.05503	24.7
55.40088	2.1
57.07068	25.1
59.76865	1.9
61.52178	2.3
62.18236	2.1
65.97455	2.1
67.05495	45.4
69.06741	2.6
69.07064	39.0
71.08623	24.2
71.61436	2.2
79.05486	23.5
81.07047	89.7
83.08608	23.2
85.10184	13.8
91.05469	24.3
93.06493	3.8
93.07037	43.3
95.08598	75.8
97.10149	15.1
105.07018	54.9
107.08570	29.9
109.10146	48.1
111.11696	8.3
117.06997	2.9
119.08569	36.9
121.10141	26.7
123.11684	18.6
125.13261	5.7
131.08563	4.8
133.10114	33.1
135.11676	47.3
137.13289	6.3
143.36160	2.3
145.10078	11.2
147.11674	64.4
149.13245	20.9
151.14807	3.2
159.11635	7.5
161.13245	51.4
163.14780	8.3
165.16429	3.0
173.13260	5.8
175.14792	23.1
177.16322	3.7
177.73642	2.4
187.14830	4.1
189.16368	13.0
197.29665	2.3
201.16362	7.6
203.17926	8.4
215.17949	11.3
217.19579	6.3
229.19424	5.9
237.74762	2.4
243.21115	8.7
243.33356	2.5
257.22687	7.4
261.25616	5.6
287.27292	3.9
299.27673	3.5
301.28986	3.8
315.30536	3.4
341.32159	4.2
397.38251	100.0
398.38367	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	397.3098
Annotation	delta-Tocotrienol
Peak:m/z	Relative Intensity
50.22312	3.7
55.05490	11.9
57.07061	9.1
60.42388	3.3
62.13635	3.2
66.93227	3.2
67.05490	26.2
69.03407	4.6
69.07050	19.9
70.21110	6.4
70.21511	11.5
71.04992	7.8
71.08597	4.7
75.88226	3.8
79.05468	16.2
81.07050	65.5
83.08614	4.4
85.06547	17.2
88.10018	3.6
91.05473	13.2
93.07030	41.9
95.08595	47.9
97.10110	4.8
99.04434	9.7
101.06004	5.8
105.07014	38.9
107.08584	47.5
109.10144	28.7
117.07063	5.8
119.08569	51.3
121.10134	33.7
123.11684	11.9
127.07532	10.2
130.07729	3.5
131.08536	23.7
133.10110	36.2
135.08072	3.8
135.11674	20.2
143.08551	9.5
145.10088	22.7
147.11688	23.0
147.12701	4.6
149.09572	5.7
149.13245	20.2
157.10074	19.0
159.11691	42.7
160.60242	3.5
161.13304	24.7
163.14816	11.1
171.11673	13.6
173.13268	29.1
175.14799	9.7
177.12779	4.2
177.16374	5.0
185.13290	9.8
187.14764	17.2
189.16359	19.3
191.17932	5.3
195.13870	4.9
199.14806	10.6
201.16385	11.7
203.18022	4.9
213.16394	22.6
215.17941	9.9
227.17928	20.1
229.19461	6.9
233.15363	5.2
235.16959	5.5
239.17990	4.2
241.19582	6.5
255.20966	5.4
257.22687	4.6
269.22577	7.1
271.24304	4.4
275.19693	3.5
283.24271	11.9
287.20004	4.0
308.56143	3.6
357.66266	3.3
379.29709	7.3
397.31018	100.0
398.31360	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	397.2582
Annotation	Unknow
Peak:m/z	Relative Intensity
54.53568	0.6
55.01859	5.4
55.05508	6.2
57.03437	4.1
57.07059	1.1
64.99646	0.7
67.05495	9.5
69.03412	1.1
69.07062	7.0
71.72922	1.0
78.49144	0.7
79.05487	7.4
81.07047	33.4
83.04971	3.0
83.08598	2.8
85.06524	1.1
85.07646	2.1
91.05454	5.0
93.07022	6.6
95.04951	1.3
95.08603	8.9
97.06527	1.5
97.10152	1.1
98.15649	0.8
105.07003	6.1
107.08585	7.0
109.06509	13.6
109.10151	5.6
111.04434	16.4
111.08077	1.8
117.07003	1.0
119.08575	7.9
121.10133	5.4
123.08045	2.6
123.11684	2.4
125.05986	8.5
125.09610	0.8
126.79404	0.7
131.08551	1.9
133.10124	6.7
135.08043	2.6
135.11659	5.6
137.05963	100.0
137.13234	1.9
138.06250	1.5
143.08536	2.5
145.10115	3.5
147.08041	2.4
147.11655	7.2
149.09642	4.3
149.13246	1.8
151.07512	3.6
151.11160	1.5
157.10133	1.7
159.11627	0.9
161.09605	6.0
161.13254	2.5
163.11136	5.2
163.14813	1.5
165.09087	2.1
165.12772	0.9
167.10695	1.3
169.10091	0.8
171.11684	1.7
173.13246	1.2
175.11185	5.7
175.14825	1.9
177.12711	1.1
179.10640	1.7
181.12221	0.9
189.12755	1.5
193.12202	1.6
203.17921	5.8
213.16367	2.1
215.14542	0.8
217.19553	0.9
221.18985	2.2
225.16489	0.7
231.17435	9.6
241.15868	1.4
249.18451	12.5
263.20087	0.8
275.19983	1.6
277.17960	60.2
278.18292	1.7
291.19394	4.2
295.19016	21.4
309.20416	1.7
351.21640	5.1
397.25916	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	397.2003
Annotation	Scilliglaucosidone
Peak:m/z	Relative Intensity
53.03936	1.6
53.57096	0.6
53.94974	0.8
55.01867	15.0
55.05506	15.4
57.03421	1.5
57.07049	0.8
59.04993	1.2
65.03950	1.8
67.05499	24.7
68.99773	1.9
69.03410	3.1
69.07063	8.4
70.00084	0.6
70.80974	1.8
71.01331	1.8
71.04972	2.1
72.09960	0.7
74.39530	0.7
79.05489	15.0
81.03412	2.1
81.07050	24.9
83.04980	2.5
83.08613	4.7
85.02890	1.7
85.06520	1.9
91.05469	16.8
93.07037	13.5
95.04966	4.3
95.08600	10.5
95.44183	0.7
97.02865	1.4
97.06521	2.7
97.10145	1.4
103.05460	2.2
105.03402	1.3
105.07017	10.8
107.04945	3.0
107.08579	6.9
109.02843	0.9
109.06506	2.7
109.10150	10.8
111.00847	0.8
111.08026	1.1
115.05447	5.3
116.06219	1.0
117.07011	6.7
119.04890	1.5
119.08573	7.3
121.06499	2.4
121.10155	3.6
123.04398	1.1
123.08061	1.8
123.11709	2.4
125.09605	1.1
128.06216	7.3
129.07004	13.0
130.07765	1.2
131.04922	1.8
131.08565	7.9
133.06526	3.7
133.10130	5.4
135.04408	1.3
135.08029	2.6
135.11665	1.4
137.09593	1.5
137.13237	0.7
139.03883	2.1
141.06956	9.0
142.07780	4.5
143.04973	1.0
143.08546	8.8
144.05705	2.0
145.06493	8.0
145.10109	4.8
147.04414	2.3
147.08025	1.7
147.11655	2.1
149.02362	0.8
149.05992	2.0
149.09608	2.5
151.11174	0.9
151.66498	0.7
152.06197	2.8
153.07001	5.1
154.07822	3.5
155.04863	1.0
155.08536	8.5
156.05707	1.2
157.06477	6.9
157.10124	5.3
158.07256	2.1
159.04416	1.5
159.08020	4.9
159.11671	2.2
161.05963	2.8
161.09587	3.0
161.13245	0.8
163.03934	2.1
163.11252	0.9
165.05609	1.5
165.06941	7.1
166.07800	4.7
167.08569	5.4
168.09291	1.1
169.06461	6.4
169.10101	6.8
170.07205	2.8
171.04408	4.7
171.08090	7.2
171.11665	3.1
173.05951	4.1
173.09610	5.6
173.11728	1.2
173.13129	0.8
175.03886	1.4
175.07529	2.7
175.11140	1.4
177.05508	1.3
177.09116	1.6
178.07767	2.9
179.08537	5.4
180.09349	2.0
181.06467	4.8
181.10103	4.1
182.07202	2.2
183.04407	2.0
183.08022	8.6
183.11674	2.5
184.05284	1.4
184.08809	1.5
185.05957	7.0
185.09572	9.1
185.13246	1.5
187.03908	1.6
187.07521	6.9
187.11197	2.3
187.13214	0.7
188.08047	0.9
189.05424	2.0
189.09081	2.7
191.08597	1.6
192.09357	1.2
193.10143	3.9
194.07274	3.2
195.08006	6.0
195.11690	3.1
196.08820	2.4
197.05934	4.8
197.09605	8.0
197.13249	2.0
198.06767	3.0
198.10362	2.0
199.03865	1.8
199.07591	6.2
199.11150	5.2
199.14888	0.8
200.04688	1.3
201.05492	6.1
201.09079	4.9
201.16428	0.9
203.03430	1.2
203.06992	2.3
203.08662	1.4
203.10689	0.9
205.06648	0.7
205.08495	1.5
205.10234	1.7
207.08061	2.6
207.11786	2.2
208.08846	1.9
209.05945	1.7
209.09663	5.0
209.13249	1.6
210.06630	1.4
210.10304	1.0
211.03951	0.9
211.07549	7.5
211.11157	5.5
212.04703	2.4
212.08321	2.8
213.05486	12.7
213.09023	12.9
213.12590	1.3
214.06224	0.9
215.07004	5.5
215.10712	2.4
217.08524	2.5
217.10341	1.1
219.11681	1.7
220.08873	0.9
221.06036	0.9
221.09604	2.6
221.13226	1.2
222.06749	1.4
222.10260	0.9
223.07564	2.3
223.11232	4.5
224.08241	1.5
225.05472	2.6
225.09119	10.3
225.12723	1.8
226.06279	2.9
226.09734	2.1
227.07025	4.3
227.10608	6.2
228.07780	1.1
229.04985	1.0
229.08571	3.8
229.12173	2.0
231.06491	1.8
235.07524	2.3
235.11192	3.0
235.14774	1.3
237.09021	4.0
237.12770	1.8
238.09708	0.9
239.07016	6.9
239.10664	6.6
240.07813	2.1
241.08554	15.9
241.12292	2.4
242.09207	2.0
243.06445	1.0
243.10083	4.6
247.11270	0.9
249.09065	2.4
249.12747	1.5
250.09871	0.9
251.07019	1.7
251.10658	3.4
251.14133	1.3
253.08554	8.3
253.12248	2.4
254.09383	9.5
255.10155	11.5
255.12828	1.0
255.13669	0.7
257.08038	2.2
257.11783	1.0
263.10718	1.3
263.14539	0.9
263.17770	0.8
265.08505	0.8
265.12311	1.3
267.10175	6.7
267.13626	1.6
268.10837	1.1
269.08978	0.7
269.11691	4.6
271.09604	1.4
277.12308	1.4
277.15781	1.0
279.10242	1.2
279.13901	1.0
281.11740	4.3
281.15533	0.8
281.18994	1.2
283.13171	1.7
291.13943	0.9
291.17331	0.9
293.11835	0.8
295.13403	1.8
295.16840	1.3
297.18588	1.1
305.15338	1.0
305.18900	1.8
307.16776	1.6
309.18396	1.3
315.17105	1.3
319.16837	1.5
323.16403	1.8
323.20065	3.9
325.18021	2.9
327.12378	1.5
327.19644	2.3
333.18466	4.4
335.20096	1.4
337.17926	3.5
339.19565	1.1
341.13834	1.7
341.21164	1.5
351.19507	16.1
352.19794	1.1
353.21097	2.2
355.19174	1.6
361.17874	7.6
369.20557	9.2
379.19022	37.2
380.19229	1.8
397.20105	100.0
397.25607	4.7
398.20383	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	397.1643
Annotation	Predurallone
Peak:m/z	Relative Intensity
51.53183	0.5
53.40625	0.5
67.05497	0.7
69.51587	3.1
69.52023	2.1
70.06598	0.6
74.70925	0.5
79.05491	0.8
81.07067	0.6
91.05461	2.5
94.04176	1.9
95.04984	0.6
103.05448	1.4
105.07029	1.6
107.04938	0.7
109.06548	1.2
115.05429	0.7
119.04941	1.2
119.08561	0.6
121.06490	0.7
122.03641	5.3
128.06204	1.7
129.06961	3.2
131.04907	1.6
131.08554	1.0
133.02840	0.7
133.06546	1.5
137.05963	70.4
138.06267	0.6
141.06978	1.6
142.07748	1.1
143.08531	2.0
144.05658	0.8
145.06493	1.2
146.03664	1.3
147.04405	1.3
149.05974	3.5
151.03906	1.8
151.07535	2.9
152.06171	0.8
153.06920	1.4
155.08537	5.4
157.06479	1.9
157.10022	0.7
158.07352	1.2
159.08067	1.7
161.05952	4.1
161.09610	0.8
163.07568	0.5
165.07010	1.4
167.07204	0.7
167.08549	2.4
168.05728	0.8
169.06454	0.9
170.07205	1.1
171.08040	2.5
173.05939	0.8
175.07707	0.6
177.05452	2.3
181.06464	1.7
182.07304	1.7
183.08072	3.6
184.08864	0.8
185.06023	1.1
185.09633	2.1
186.06723	1.3
187.07483	2.4
189.09081	1.8
195.08076	1.3
197.05919	0.7
197.09555	1.6
198.06723	1.9
199.07504	1.6
200.08342	1.6
201.09077	3.5
202.07765	2.3
203.08542	1.9
203.10641	3.0
208.15517	0.7
210.06699	1.0
211.07536	1.1
212.08336	1.4
213.09085	4.8
215.08566	2.1
215.10654	2.3
216.09270	1.2
217.10144	3.6
218.07312	0.9
218.10846	0.7
219.07980	1.6
221.06052	0.6
225.09154	2.7
226.07751	0.8
227.10568	0.9
228.09369	1.1
229.10155	4.9
230.07083	0.9
230.10887	0.8
231.08020	3.1
231.10184	3.6
232.08762	1.3
233.09529	1.8
234.10313	0.6
235.07426	0.8
239.08444	1.6
241.10129	1.7
242.07193	1.3
243.08002	0.8
243.10181	2.2
244.08823	1.0
245.09641	7.2
245.11891	1.4
246.10291	2.3
247.07497	2.1
247.11180	2.0
249.09099	1.2
255.07994	1.2
255.10434	0.8
256.09079	0.6
257.09610	7.3
258.10391	2.8
259.07532	1.4
259.11081	2.0
260.08286	2.3
261.09103	2.8
261.11490	1.1
262.09894	1.7
263.07187	0.9
263.10605	1.3
268.08868	0.9
269.09576	2.2
271.07520	2.6
273.08804	3.4
273.11383	1.7
274.09723	2.8
275.07321	1.1
275.10654	3.6
276.11426	1.2
277.08673	1.8
277.12250	5.3
278.09470	0.7
279.10236	1.1
279.13766	1.9
285.09018	6.1
286.06723	0.7
286.09784	3.0
287.10712	2.9
289.08563	1.5
289.12244	4.4
290.09329	2.2
291.06992	0.7
291.10120	3.2
291.13522	0.6
292.07419	0.6
292.10605	0.7
293.08353	0.7
293.11688	2.2
297.09045	1.2
299.07474	0.6
299.10623	0.9
300.07855	0.7
301.08643	2.6
301.12079	1.3
302.09363	2.6
303.06961	0.7
303.10077	4.0
304.10855	2.1
305.08051	1.5
305.11707	4.1
306.08887	1.3
307.09650	1.5
307.13312	2.1
308.10449	1.0
309.11316	1.1
309.14807	0.9
313.08386	0.7
314.09262	2.0
315.10031	1.8
316.10870	0.8
317.08383	1.1
317.11734	4.2
318.08795	0.7
318.12387	1.3
319.09586	2.4
319.13239	1.5
320.10339	2.0
321.11148	3.3
321.14584	1.0
322.12122	1.2
323.12726	0.8
329.11694	3.7
331.09610	2.0
333.11203	3.6
334.11945	2.7
335.12714	4.0
336.13519	1.3
337.14365	1.4
339.15842	2.2
345.50540	0.7
346.11926	1.5
347.12677	2.1
348.13528	1.6
349.14328	4.8
351.12112	1.3
351.15942	1.6
354.14523	2.0
361.14215	4.7
366.14551	1.2
367.15286	7.2
379.15323	11.3
397.16425	100.0
398.16882	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	397.1018
Annotation	Unknow
Peak:m/z	Relative Intensity
54.60496	0.8
56.96555	19.4
57.03425	1.7
61.02905	1.2
67.39311	0.8
69.03406	2.4
70.06573	2.8
70.82180	2.6
71.95233	1.1
72.08160	1.7
73.02888	1.9
77.46291	0.7
81.03399	1.2
82.14030	0.9
84.04501	0.8
84.08114	1.8
84.96011	2.2
85.02891	3.6
86.09686	0.9
97.02881	2.9
98.97569	72.2
100.99150	1.5
109.02852	1.1
110.07153	2.7
110.97552	4.2
112.98335	1.9
112.99118	32.9
115.03948	1.1
116.98612	33.2
119.00139	1.8
119.01858	2.3
127.00687	1.4
128.98566	7.1
131.00157	45.5
132.95825	1.2
133.01694	2.4
134.99646	10.3
140.00134	1.0
143.00177	1.9
144.98003	1.2
145.01659	5.9
146.99626	4.4
149.01198	21.6
151.02713	1.6
152.98593	1.2
154.01765	1.3
155.00169	1.4
157.01654	1.3
158.99640	12.0
161.01192	2.9
161.02835	1.0
163.02763	6.2
167.02286	1.1
170.99632	2.7
171.05042	1.0
172.02699	1.3
173.01202	24.6
173.02705	1.6
175.02711	7.5
177.00699	11.5
179.02316	0.9
185.01405	0.9
187.02701	4.7
189.00732	1.9
189.03528	1.8
189.05972	0.9
191.02263	21.8
193.02019	0.9
193.03825	24.7
195.01669	0.9
199.67609	0.9
201.00735	3.3
205.01837	0.9
205.03819	6.2
208.44318	0.8
211.04871	23.7
216.05502	1.6
217.03969	1.8
219.01726	14.5
219.05116	1.2
229.05885	1.7
233.03214	6.2
234.99117	2.6
235.04878	6.4
235.10748	3.9
237.02786	26.7
240.06613	1.0
247.04842	2.7
249.06346	1.1
253.05847	1.2
255.03862	2.4
263.04388	2.0
265.05875	3.6
277.00040	1.2
277.05975	2.9
279.03848	1.7
279.09219	1.6
281.05399	7.8
293.05493	1.2
337.08066	100.0
338.08475	2.1
355.09073	63.5
356.09323	1.5
378.10626	4.3
397.01526	1.0
397.10065	15.7
397.15845	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	397.0909
Annotation	4'-O-Demethyldehydropodophyllotoxin
Peak:m/z	Relative Intensity
50.95245	0.1
53.03914	0.2
55.01867	1.3
55.05477	0.2
57.03379	1.2
60.46477	0.1
61.02876	0.2
65.03924	0.7
67.01832	0.3
67.05452	0.4
68.99458	0.2
68.99776	1.5
69.03426	0.7
70.05469	0.6
70.05886	0.2
70.06528	0.5
72.08111	0.4
79.01796	0.1
79.05430	0.6
81.03422	1.3
81.06981	0.5
84.08070	0.4
85.02898	2.9
85.07663	0.3
86.09660	0.3
91.05473	2.5
92.99729	0.3
93.03349	0.3
93.07001	0.3
95.04898	0.6
97.02890	1.1
98.20766	0.2
103.05407	0.6
105.03354	0.2
105.06982	0.3
107.04868	0.4
107.08491	0.2
109.02866	1.5
109.06449	0.2
111.04382	0.4
114.60859	0.1
115.05416	0.3
117.06940	0.2
119.04931	4.4
119.08508	0.3
120.08057	0.2
121.02854	11.4
121.06428	0.3
122.03136	0.2
123.00747	0.4
123.04391	0.3
127.03853	0.2
128.06287	0.1
129.10204	0.2
131.04909	1.3
135.04353	0.5
136.06108	0.3
137.02332	1.0
137.05936	0.3
138.19736	0.1
138.44579	0.1
141.00832	0.2
141.01816	2.6
145.02834	3.6
145.10121	0.4
147.04419	1.0
149.02287	0.5
149.05876	0.4
149.09608	0.2
153.01819	0.4
157.10045	0.2
159.04381	1.2
161.02299	0.3
161.05867	0.2
161.13300	0.1
162.04037	0.5
163.00185	0.5
163.02678	0.2
163.03903	3.6
164.07141	0.1
165.01822	16.4
166.02109	0.3
167.03404	1.0
169.02789	0.6
171.04378	0.3
173.02245	0.2
175.03862	0.8
177.01747	0.4
177.05486	1.5
178.99690	0.2
179.03348	0.7
181.04878	0.5
183.02882	9.1
187.03889	3.1
189.01799	1.5
189.05389	0.2
190.02623	0.8
190.99672	0.5
191.03354	0.7
193.04916	0.3
195.02901	0.3
195.06462	0.3
195.11177	0.3
197.00748	0.6
199.03798	0.4
202.02483	0.2
203.03343	1.1
205.01335	0.2
205.04939	2.4
207.02892	0.8
208.03619	0.3
208.08958	0.2
209.00716	0.6
209.04396	0.2
213.05423	0.3
215.03398	0.9
217.15858	0.3
221.04384	0.6
223.05865	0.4
227.07120	0.2
229.04950	0.9
231.02884	0.7
231.08040	0.3
233.04436	1.1
239.06976	0.4
242.05708	0.3
243.02911	0.9
249.03806	0.7
253.04915	0.2
253.08495	0.2
254.05647	0.2
255.06448	0.8
261.03912	1.2
266.05566	0.2
267.06506	3.8
268.06955	0.2
269.04318	0.4
270.05212	1.7
271.05988	8.0
272.06314	0.2
273.03903	0.4
277.08487	0.7
278.09079	0.2
278.12390	0.5
279.06506	3.0
280.07114	0.5
281.04520	1.0
281.08054	4.1
282.04929	0.1
283.05984	100.0
284.06393	4.9
289.08542	0.4
291.06552	0.2
293.08017	1.8
294.05124	0.3
295.05957	6.9
295.09604	5.7
296.06522	0.3
296.09988	0.3
297.03928	1.3
297.07513	5.0
298.07822	0.2
299.05527	0.3
303.06403	0.2
305.08066	5.6
306.08267	0.2
307.05960	4.4
307.09409	0.3
308.06750	4.7
309.03900	3.3
309.07520	9.3
310.04620	0.2
310.07822	0.4
311.05579	1.8
311.08893	0.3
312.05936	0.2
313.07043	2.7
319.06143	0.2
320.06757	0.6
321.07556	6.4
322.08261	0.5
323.05789	1.4
323.09103	33.0
324.09375	1.4
325.07040	0.4
333.07538	6.8
334.08200	0.2
335.05496	1.1
335.09259	0.4
336.06183	0.5
337.07040	4.9
338.07446	0.2
339.08765	0.2
349.07037	24.9
350.07358	1.0
351.08606	8.5
352.09003	0.3
353.06537	0.2
361.07022	12.2
362.07452	0.7
367.08112	7.3
368.08521	0.4
369.09439	0.2
379.08096	25.4
380.08386	1.1
397.09201	32.7
397.14401	2.5
398.09503	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.0739
Annotation	Unknow
Peak:m/z	Relative Intensity
59.32469	0.9
71.38371	1.1
71.38705	1.2
80.36898	1.1
104.37290	1.1
119.01900	1.0
121.01591	1.2
147.03188	2.9
171.03238	1.6
189.04312	3.6
212.85117	2.4
277.02408	3.6
289.02118	1.4
289.83765	1.2
397.07394	100.0
398.07736	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	397.091
Annotation	Nogalaviketone
Peak:m/z	Relative Intensity
53.00313	0.3
53.03936	0.2
55.01865	1.1
55.05497	0.5
57.03428	0.6
59.69421	0.1
60.96309	0.1
63.02378	0.1
65.03941	0.4
67.01862	0.8
67.05497	0.3
67.70509	0.1
68.99440	0.2
68.99781	6.5
69.03420	43.2
70.03755	0.5
70.06590	0.3
70.71343	0.5
71.01353	0.3
79.01846	0.2
79.05486	1.1
81.03403	1.5
81.07025	0.2
83.04963	1.0
85.02883	0.4
86.09686	0.1
89.03917	0.6
91.05469	0.9
92.99752	1.5
93.03400	0.6
93.07030	0.9
94.64683	0.1
95.04944	0.8
95.08588	0.1
97.02879	0.3
103.05476	1.2
105.03380	0.4
105.07011	1.3
107.01298	0.4
107.04934	2.0
107.08620	0.2
109.02865	0.9
111.00784	0.3
111.04434	2.9
112.54565	0.1
115.05434	1.6
117.03383	0.4
117.07025	0.4
119.04941	0.8
119.08590	0.2
121.02859	0.8
121.06499	0.9
123.00838	0.4
123.04434	0.3
124.01563	0.2
125.05960	0.2
127.03893	0.7
127.05392	0.2
129.06987	0.2
131.04909	2.2
131.08566	0.2
133.02844	0.4
133.06487	0.5
134.03642	0.6
135.04395	8.6
136.04659	0.2
137.02330	23.1
137.03423	1.7
137.05872	0.8
138.02646	0.3
141.01802	3.6
143.04916	0.6
145.02832	0.2
145.06456	1.3
147.04379	2.8
149.02306	0.9
149.05948	0.9
151.03879	0.2
151.07603	0.2
153.01813	1.3
155.04886	0.7
155.06061	0.3
157.02829	0.2
157.06456	0.3
159.04414	1.1
161.02321	8.2
161.05965	1.2
162.02686	0.3
163.00230	0.2
163.03891	1.6
165.01817	18.4
166.02249	0.3
167.03371	1.3
169.06413	0.2
171.02927	0.3
171.04367	2.9
171.05763	0.2
173.02310	1.0
173.05988	0.7
175.03908	1.6
175.07535	0.2
176.01067	0.6
177.01799	1.0
177.05481	0.5
178.99800	0.5
179.03374	9.0
179.06999	0.3
180.03767	0.2
181.04916	0.4
183.02892	10.2
183.04401	1.6
184.03418	0.3
185.02310	0.9
185.05939	0.2
187.03893	0.4
189.01836	0.7
189.05444	2.3
190.99715	0.3
191.03372	1.1
193.04967	0.9
194.02101	0.6
195.02821	0.7
197.00798	1.2
197.04419	0.4
197.06073	0.4
199.03877	2.4
199.07358	0.2
201.01814	0.4
201.05438	2.6
202.02666	0.3
203.03377	4.9
203.08495	0.4
205.01361	0.2
207.02849	0.3
207.06483	0.5
209.00917	0.3
213.05418	0.2
213.09047	0.3
215.03413	0.3
215.07001	0.2
217.04945	4.8
217.15846	0.2
218.05222	0.2
219.02916	0.2
219.06421	0.3
219.08226	0.2
220.03662	0.2
221.04427	2.3
227.03386	2.2
227.06882	0.2
229.04944	0.5
231.07935	0.5
235.05898	1.6
237.05486	0.2
243.06494	3.9
245.04419	6.3
247.02354	0.9
249.09087	0.2
253.05081	0.2
253.08315	0.2
255.06503	0.4
257.04547	0.2
258.05194	1.6
259.07495	0.6
263.05264	1.2
265.03384	0.4
269.04361	0.3
271.05893	0.8
272.06705	0.6
273.11142	0.6
277.08609	0.4
279.06473	0.3
280.06967	0.2
281.04608	0.3
281.07935	0.3
282.05194	0.3
283.05981	3.2
285.03867	1.2
285.07141	0.3
286.04666	7.1
287.05432	10.3
288.05734	0.3
289.03418	3.0
290.03589	0.2
293.07986	0.3
295.05991	1.8
295.09738	0.4
296.06583	0.3
297.04202	0.4
297.07492	2.8
299.05457	73.6
300.06000	7.2
301.06876	0.3
305.08038	1.8
306.08517	0.2
307.05972	0.4
308.06757	2.8
309.04007	0.3
309.07489	2.2
310.04700	3.8
310.07666	0.1
311.05450	15.2
312.05716	0.7
313.03436	2.1
313.06952	14.5
314.03940	0.2
314.07254	0.7
320.06747	0.3
321.07544	0.4
323.05423	2.0
323.09109	5.5
324.06238	1.2
324.09589	0.3
325.03436	0.9
325.06998	8.8
326.07465	0.4
327.05045	0.6
327.08554	8.6
328.08911	0.4
329.06522	16.5
330.06839	0.7
331.04813	0.2
333.07477	1.6
335.05380	0.5
335.09091	4.6
336.06107	1.3
336.09402	0.2
337.07004	14.0
338.07468	0.9
339.04926	3.4
339.08868	0.3
340.05344	0.3
341.06580	0.3
341.10141	1.3
351.08582	37.7
352.05267	0.3
352.08969	2.4
353.06494	4.4
353.10043	0.2
354.06940	0.3
355.04572	0.3
355.08118	5.1
356.08289	0.2
361.07010	6.6
362.07248	0.5
369.09607	2.2
370.09882	0.2
379.08069	100.0
380.08414	6.3
397.09128	83.6
398.09454	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	396.3318
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	3.9
57.07077	52.7
59.05003	14.3
67.05493	4.7
69.07053	3.4
69.22784	1.7
69.39034	7.1
69.39455	13.9
71.08627	100.0
73.36294	1.8
81.07063	3.4
83.08607	2.9
85.10173	57.3
89.06029	51.8
93.07041	3.0
95.08624	3.8
95.18275	1.7
97.10138	1.9
103.07550	2.5
107.07062	2.0
107.08640	2.3
109.06522	2.2
109.10126	2.2
113.07964	2.2
114.38749	2.0
115.67252	2.0
127.14812	11.3
130.08653	2.5
133.08604	23.0
147.45532	1.7
151.09651	2.3
177.11195	18.7
185.19020	13.0
194.49364	1.9
195.12289	20.5
224.58105	1.9
239.14841	14.1
245.50099	1.9
286.00330	1.9
326.65082	1.9
379.30515	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	396.3468
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57121	1.7
55.05505	2.6
57.07064	2.1
67.05484	4.9
69.07046	2.7
71.76544	2.1
72.04507	5.8
81.07028	4.1
86.09692	100.0
95.08610	2.5
107.08500	1.9
109.10155	2.9
132.10181	61.6
163.40402	1.8
213.55005	1.8
251.84412	2.0
255.72348	1.9
350.33728	2.7
381.95724	1.8
396.34235	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	396.274
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	0.6
55.05504	2.7
56.04980	0.7
57.07062	0.5
67.05499	2.6
68.04984	0.9
69.03390	0.8
69.07062	2.2
69.66201	3.4
70.06544	1.8
79.05486	2.6
80.05005	3.5
81.03374	1.7
81.07059	4.1
82.06545	1.1
83.04951	0.8
83.08572	1.1
84.04485	0.4
84.08115	0.8
86.06020	1.3
87.04453	15.9
88.90707	0.4
91.05482	2.3
93.07024	3.2
94.06533	1.3
95.04916	0.8
95.07307	0.6
95.08610	3.2
96.08089	0.9
97.10112	0.6
98.06046	2.4
100.11230	1.2
102.89261	0.4
105.06995	1.8
107.08580	3.4
108.08105	3.2
109.06483	0.6
109.08913	0.6
109.10143	2.3
110.09634	1.2
111.83471	0.4
116.07070	0.5
117.07062	0.4
119.08541	1.8
119.09315	0.4
120.08070	0.5
121.06428	0.6
121.10097	1.9
122.09675	2.7
123.08054	0.5
124.07604	0.5
124.11139	1.2
125.09612	0.5
131.08536	1.1
133.10107	1.1
135.04456	0.5
135.11638	0.9
136.11195	2.0
137.05937	1.4
145.10088	1.0
147.07982	0.6
147.11678	0.7
148.07516	0.6
149.09546	0.5
159.11597	0.6
161.09552	0.7
161.13287	0.8
162.09108	0.6
163.03830	0.5
166.08635	4.6
173.09563	0.5
174.34299	0.4
176.77399	0.4
180.10165	1.9
181.10918	0.7
184.09618	1.4
184.13301	1.3
194.11768	4.2
195.12199	0.5
196.13406	0.5
204.13824	0.8
208.13300	4.5
209.14063	0.6
218.15346	1.0
222.14934	1.0
224.16333	1.0
236.16420	1.3
246.18492	1.7
248.20067	3.0
250.18102	0.5
264.19556	3.0
266.21112	9.2
267.21506	0.8
273.11258	0.7
281.22107	0.4
283.05997	0.7
295.06134	0.5
298.19937	0.6
299.05487	0.6
307.06061	0.9
308.18570	1.4
313.06680	0.6
316.22583	0.7
322.20047	2.2
334.23694	1.3
345.91293	0.5
350.23376	0.5
352.24777	100.0
353.25113	7.7
354.26318	1.2
364.82288	0.5
379.08090	2.3
396.27402	96.2
397.09137	1.4
397.17599	0.6
397.27762	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	396.2739
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93687	0.2
53.03936	0.3
55.01862	0.5
55.05492	1.3
57.03427	0.2
57.07054	0.2
58.06604	0.2
65.03947	0.3
67.05495	3.3
68.05015	1.6
69.03419	18.6
69.07069	1.2
70.00798	0.9
70.03732	0.2
70.06628	0.2
71.04981	0.3
71.20366	0.2
79.05486	2.9
81.03410	0.2
81.07042	7.8
83.04968	0.5
83.08598	0.8
84.08140	0.2
85.06507	0.2
86.06055	100.0
87.04454	3.5
87.06386	1.2
91.05472	2.0
93.07021	1.7
95.04969	1.1
95.08602	2.7
96.08915	0.2
97.06509	0.5
97.10143	0.2
102.09162	0.4
104.07093	5.4
105.03362	0.4
105.07004	2.5
107.04953	0.5
107.08567	1.3
109.06506	1.6
109.10137	1.1
111.08044	0.3
117.07018	0.6
119.08575	2.2
121.06494	0.5
121.10111	1.4
123.08062	0.5
123.11649	1.0
125.09631	0.3
129.06960	0.2
131.08575	0.9
133.06512	0.2
133.10097	1.2
135.08080	0.4
135.11691	0.7
137.09579	0.2
143.08595	0.2
145.10104	1.1
147.11670	2.0
149.09599	0.6
149.13245	0.5
151.11214	0.2
157.10101	0.3
159.11671	0.5
161.09642	0.2
161.13255	0.5
163.11163	0.6
163.14830	0.2
165.12770	0.7
169.10114	0.2
171.11639	0.2
172.48895	0.2
173.09685	0.2
173.13243	0.4
175.11131	0.2
177.12764	0.2
185.47971	0.2
187.14752	0.2
189.11180	0.1
193.12210	0.3
202.57153	0.2
223.13268	0.3
229.19400	0.3
239.17979	0.3
247.20514	0.5
250.28082	0.2
257.18985	0.6
265.21582	0.2
275.20035	6.6
276.20459	0.3
293.21054	2.2
396.27325	18.8
397.27704	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.2741
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.6
55.01852	1.7
55.05503	4.8
57.81124	0.6
58.06587	0.8
67.05497	11.7
68.05013	2.3
68.22422	0.6
69.03422	22.9
69.07060	4.3
70.06575	1.2
71.04948	0.6
71.17182	1.9
72.08112	0.7
79.05474	7.9
81.03406	1.6
81.07044	13.1
83.04971	1.1
83.08609	5.2
85.11074	0.6
86.06056	100.0
87.04456	67.6
87.06382	1.5
91.05465	7.7
93.07032	7.6
95.04957	11.0
95.08598	6.4
96.08905	0.8
97.06506	1.9
97.10168	2.1
99.04463	1.4
102.09156	0.9
104.07089	87.9
105.07001	7.5
106.07339	0.7
107.04932	2.4
107.08559	5.0
108.40478	0.6
109.06503	1.9
109.10126	4.7
111.08054	1.6
111.56489	0.6
117.06998	3.3
119.08549	4.9
121.06500	1.5
121.10133	2.6
123.08088	1.5
123.11642	1.6
125.09583	1.4
129.06964	1.1
131.08578	3.5
133.06412	0.7
133.10100	4.8
135.08037	1.6
135.11662	1.9
137.09586	1.0
141.44052	0.6
143.08521	0.9
145.10110	3.7
147.08066	0.7
147.11650	3.0
149.09586	5.6
149.13292	0.7
155.08553	0.8
157.10152	1.2
159.11673	2.4
161.13210	0.9
163.11159	5.5
169.10124	1.2
171.11571	0.8
173.13309	1.1
177.12743	1.2
187.11140	0.8
187.14867	0.9
189.11154	1.3
205.12222	1.1
223.13295	7.2
232.77602	0.7
239.17917	1.5
257.19031	1.5
260.55194	0.7
275.20038	11.4
281.08289	2.9
293.20984	3.7
396.26675	14.8
396.31317	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	396.2507
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	2.5
55.30735	0.7
56.05031	2.8
56.96563	2.1
57.03426	1.1
57.07068	2.0
57.18411	0.6
58.51079	0.6
60.04519	100.0
61.56328	0.6
61.88580	0.6
62.77849	0.7
67.05502	6.7
69.07061	4.5
70.06583	0.9
70.29089	3.3
71.08624	1.1
72.04522	2.2
74.06068	8.6
79.05474	4.1
80.05027	3.3
81.03429	0.8
81.07046	7.4
83.08612	3.3
86.06062	1.0
90.05560	1.0
91.05495	1.9
93.07040	2.4
94.06565	1.1
95.04957	0.8
95.08595	7.8
97.10203	2.1
97.20621	0.7
98.20692	0.8
98.98498	1.3
102.05550	0.7
105.07016	1.8
107.08600	1.5
109.10159	3.4
116.98676	0.8
119.08591	1.4
121.10170	2.2
123.08051	0.9
123.11753	2.0
127.24819	0.8
133.10121	1.0
134.99733	0.8
135.11699	1.0
140.01071	2.1
143.30322	0.7
189.16527	0.8
245.22641	1.4
262.25388	2.6
263.23853	1.2
269.14368	0.7
280.26379	9.1
293.17862	1.3
298.27386	33.1
299.27756	1.7
318.82101	0.8
396.24573	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	396.22
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.8
55.01860	1.0
55.05511	3.8
56.05017	0.8
56.96550	0.8
57.03432	0.5
57.07037	0.8
58.99584	4.5
59.04994	0.7
61.80134	0.6
67.05495	7.4
69.03383	1.0
69.07056	3.5
70.06589	3.1
70.34711	1.3
70.35124	1.9
72.08147	1.1
79.05492	4.2
80.04993	3.3
81.03377	0.7
81.07048	8.1
82.06584	1.1
82.07377	0.7
83.04970	0.6
83.08606	2.4
84.04493	0.8
84.08136	1.1
85.01137	0.9
85.02908	0.8
85.06547	0.8
86.00638	2.0
86.01807	0.5
86.06058	1.7
86.09696	0.8
86.99055	2.6
87.02681	1.4
87.04451	2.3
88.02213	2.1
91.05463	5.4
92.05007	1.9
93.07028	4.4
94.06560	2.8
95.04966	0.7
95.08593	4.6
96.08130	1.2
96.08897	0.8
97.06509	0.8
97.10171	0.7
98.09688	0.6
101.04238	1.0
105.00091	2.2
105.07024	3.4
106.06551	2.4
106.42828	0.6
107.08566	2.8
108.08097	1.5
109.06515	1.2
109.10146	2.8
111.01389	0.6
112.02172	2.1
112.07567	0.6
117.07021	1.3
119.08547	3.8
120.08099	2.1
121.06500	0.9
121.10129	2.3
122.09671	1.1
123.08076	0.8
123.11708	0.6
129.07021	0.9
131.08583	2.1
132.01147	2.3
133.10081	4.4
134.09654	1.3
135.08067	1.3
135.11642	1.3
136.11255	0.8
137.05992	0.9
138.03728	1.8
139.05789	0.9
143.08664	0.8
145.10114	2.1
147.10591	0.6
147.11694	2.3
148.11232	2.0
149.13303	0.8
150.12724	0.8
152.05362	0.8
157.10127	1.0
158.02699	0.9
159.04765	1.7
159.11703	1.0
162.12726	1.0
163.11166	0.9
171.11674	1.0
173.09541	0.7
173.13293	1.0
176.14322	2.7
180.08420	2.5
181.09216	1.6
182.02679	1.8
183.03464	0.7
184.04358	0.9
184.13367	0.9
185.13353	0.6
196.04195	0.8
198.05821	4.1
202.08987	0.7
204.13844	9.9
206.15610	0.6
218.15428	1.2
222.14877	4.7
224.16443	1.6
236.16408	1.3
238.17905	0.8
244.17249	0.7
248.16563	0.6
254.12196	0.7
254.17482	1.0
262.12506	0.9
262.18411	0.6
264.19839	0.6
274.21680	1.5
275.20169	1.1
280.13626	3.4
290.21124	2.5
292.22708	2.1
306.18729	0.6
308.13129	14.1
309.13577	0.9
324.19876	1.6
325.06143	0.7
326.14178	14.0
350.21365	3.8
370.49936	0.6
378.20950	18.9
378.25821	1.3
379.21246	1.4
396.22061	100.0
396.27277	7.7
397.22427	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	395.3669
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	17.7
57.07072	22.2
67.05495	32.1
69.07061	32.6
71.08630	18.0
79.05473	19.6
81.07044	64.4
81.07526	3.5
83.08605	13.7
84.58822	2.4
85.10159	8.9
91.05464	30.6
93.07019	22.8
95.08591	43.6
97.10155	12.9
105.07018	50.2
107.08578	21.1
109.10148	23.4
111.11677	6.5
117.07004	22.4
117.90636	3.1
119.08572	18.2
121.10125	12.9
123.11654	6.5
125.13290	3.2
129.06989	6.5
131.08551	27.5
133.10107	37.8
135.11676	8.0
137.13197	3.4
143.08478	8.8
143.65977	3.3
145.10114	57.8
147.11653	26.0
149.13208	3.9
157.10175	14.5
159.11668	44.1
161.13245	11.3
171.11713	8.6
173.13232	11.4
175.14816	4.4
185.13254	7.1
187.14835	4.6
199.14835	9.0
201.16374	4.8
213.16376	8.3
227.17880	5.8
241.19569	6.3
255.21092	6.1
276.79147	3.0
281.98694	3.0
370.70844	3.1
395.36697	100.0
396.37115	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.3669
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31142	2.5
54.88224	2.2
55.05491	9.8
57.02304	2.6
57.07072	16.8
67.05498	24.2
69.07059	23.2
69.41813	9.2
69.42245	20.4
71.08622	15.7
79.05464	10.9
81.07042	57.2
83.08590	10.9
85.10155	7.3
91.05461	19.4
93.07021	13.4
95.08594	34.9
97.10152	8.6
105.07020	39.2
107.08596	18.0
109.10149	17.2
111.11713	5.9
117.06996	17.9
119.08577	15.3
121.10098	9.8
123.11651	5.6
129.06915	5.6
131.08539	19.8
133.10104	28.9
135.11661	7.0
137.13252	7.1
140.89064	2.9
143.08559	8.3
144.09372	3.4
145.10106	56.0
147.11659	20.8
149.13216	6.6
157.10132	9.2
159.11685	34.5
161.13237	3.8
171.11674	5.2
173.13312	13.1
176.87393	2.8
179.17847	2.7
185.13258	6.5
187.14848	4.4
199.14854	7.7
201.16412	4.2
213.16362	6.8
236.92955	2.3
241.19415	6.0
247.24083	3.8
255.21153	4.8
275.27359	3.8
389.85657	2.4
395.36649	100.0
396.36935	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	395.367
Annotation	Unknow
Peak:m/z	Relative Intensity
54.26794	3.8
55.05504	9.2
57.07051	14.7
67.05488	19.5
67.14986	3.8
69.07064	23.0
71.08615	14.6
71.74775	6.1
79.05457	12.2
81.07047	51.0
83.08607	11.2
85.10162	12.4
91.05479	17.1
93.07021	14.5
95.08591	33.3
97.10139	14.3
98.14619	4.2
105.07035	26.7
107.08585	14.3
109.10147	15.9
111.11693	6.0
117.06990	15.8
119.08569	10.6
121.10126	8.2
123.11699	10.0
125.13266	4.5
126.97031	3.8
131.08572	13.1
133.10130	33.6
135.11594	5.9
143.08534	4.4
145.10106	52.0
147.11641	27.0
157.10132	5.5
159.11682	38.5
161.13237	10.6
161.48686	4.2
163.14938	6.5
171.11662	4.1
173.13245	14.5
185.13167	5.0
187.14728	8.6
199.14821	4.8
213.16435	4.8
220.96092	3.7
223.76550	4.0
241.19467	8.7
255.21222	6.4
333.58893	4.0
395.36734	100.0
396.36981	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	395.2902
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06095	1.8
50.45702	1.9
55.05497	7.2
57.07067	2.8
57.36818	2.0
67.05503	16.5
69.07046	8.4
70.02937	12.6
71.76031	2.3
71.76462	2.1
74.02423	18.7
79.05480	6.7
81.07037	20.5
83.08608	5.3
87.05580	62.8
88.03981	100.0
88.47666	2.1
90.05536	4.3
91.05473	6.7
93.07025	4.7
95.08585	14.6
97.10155	3.5
98.02446	2.5
105.06997	4.2
107.08579	5.3
109.10123	5.5
111.11721	1.9
116.03439	6.7
119.08559	2.4
121.10132	3.7
123.11672	3.7
133.06071	86.3
133.10045	3.4
135.11655	2.8
137.13219	2.2
149.13229	2.2
182.12695	2.1
222.45029	2.2
263.23761	5.0
332.25809	5.5
350.26715	6.9
378.26328	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	395.294
Annotation	Sargaol
Peak:m/z	Relative Intensity
50.06618	1.5
50.12080	1.5
53.03938	2.6
55.01862	2.5
55.05500	11.2
57.03434	2.3
57.07084	3.5
59.05025	1.6
67.05495	22.7
68.77857	1.3
69.03427	16.8
69.07058	13.2
70.06577	3.5
70.75119	1.3
71.04993	1.9
71.08646	1.5
71.24750	3.2
72.08143	1.6
74.01067	1.3
79.05485	18.8
81.07046	39.8
83.04971	3.4
83.08627	5.8
85.06541	3.5
86.06055	73.6
87.04455	8.3
88.07601	1.8
91.05472	22.3
93.07034	32.8
93.92666	1.4
95.04975	5.4
95.08597	41.7
97.02940	1.5
97.06566	2.8
97.10191	3.7
99.04481	2.0
102.09176	1.7
104.07081	8.7
105.07017	38.1
106.77290	1.6
107.04980	2.0
107.08582	30.2
109.06528	2.9
109.10152	19.9
109.10776	1.7
111.08062	1.6
112.11234	1.9
117.07026	10.9
119.08566	40.3
120.09005	1.3
121.06498	1.8
121.10124	17.3
123.08083	2.3
123.11724	5.3
125.09616	2.3
128.06221	1.6
129.07040	5.1
130.07851	2.2
131.08553	29.0
131.09447	2.2
133.10110	33.4
135.08115	2.4
135.11684	13.0
137.09637	2.3
141.07001	2.0
142.07797	2.9
143.08553	13.9
144.09369	3.0
145.10107	31.1
145.11192	1.9
146.10477	1.8
147.08044	2.5
147.11671	26.2
149.02289	7.5
149.09633	2.4
149.13316	6.5
150.01579	1.3
150.02742	3.7
151.07568	1.3
153.09155	1.6
155.08595	5.8
156.09372	2.4
157.10104	18.8
157.11224	1.7
159.11670	28.0
161.09731	3.1
161.13258	14.4
163.11218	3.7
163.14838	2.0
165.09117	2.4
167.10750	2.4
169.08910	1.7
169.10123	7.6
171.11679	12.0
173.09532	1.9
173.13237	14.7
175.11223	4.4
175.14774	10.1
177.12733	1.8
179.10635	2.0
181.10219	2.1
182.10936	1.4
183.11787	6.2
185.13199	11.7
187.11346	2.0
187.14809	20.5
189.12726	1.9
189.16354	9.5
193.04935	10.5
193.12335	5.3
194.05260	9.0
195.11749	2.2
195.13792	3.0
197.13196	7.9
199.14867	8.8
201.16359	26.0
201.18130	1.6
202.16934	1.7
203.17996	3.4
205.12338	3.3
207.13872	2.5
209.13269	2.9
209.15318	1.4
211.14890	5.7
213.16466	5.3
215.18059	6.0
219.13895	3.2
225.16476	5.1
227.18057	6.5
228.23320	4.4
229.19510	1.8
229.23677	5.9
237.16389	2.3
239.18051	5.1
241.19571	2.1
245.15346	1.7
247.17067	2.3
251.17979	2.4
253.19553	11.5
255.21118	1.8
257.15424	2.7
259.16986	1.5
267.21091	2.3
271.16885	2.5
275.20206	6.4
279.21298	1.5
281.22809	2.4
285.18677	1.6
287.20071	2.1
295.23999	7.9
299.20377	2.9
301.21796	1.9
313.21658	2.7
325.21857	2.9
339.23398	5.5
353.24979	2.5
377.28439	4.2
395.29688	100.0
396.27686	12.0
396.31351	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	395.279
Annotation	2-glyceryl-11,12-EET
Peak:m/z	Relative Intensity
53.72763	1.3
55.05493	5.2
57.03421	3.3
57.07063	4.9
65.67740	1.3
67.05508	8.9
69.07079	6.9
69.98637	8.9
71.04983	1.6
71.08625	3.4
79.05480	6.3
81.07045	12.6
85.06538	3.0
89.20747	1.4
91.05461	7.4
93.07021	10.0
95.08604	14.7
97.06541	2.5
97.10110	1.3
98.20770	2.5
105.07025	4.5
107.08578	10.5
109.06510	16.5
109.10136	4.5
111.08086	1.7
119.08575	8.7
121.10138	4.5
122.07285	2.0
123.08061	39.9
123.08873	1.8
123.11713	1.9
131.08554	2.9
133.10123	3.7
135.08035	10.8
135.11685	3.2
137.09625	3.1
145.10138	3.3
147.11691	3.2
149.09608	7.4
156.06830	1.3
159.11685	3.7
161.09636	1.8
165.12807	1.5
177.12752	4.6
179.14297	59.9
180.14574	1.7
205.15855	6.6
235.16875	1.6
247.16888	2.8
275.23639	3.9
287.49057	1.3
290.69073	1.5
303.23169	50.1
303.26657	2.4
304.23474	4.3
321.23859	1.6
339.21542	3.8
395.27887	100.0
396.28241	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.1486
Annotation	Rotenone
Peak:m/z	Relative Intensity
53.03925	0.6
55.01857	0.6
68.99753	0.5
70.49708	1.5
79.05482	2.2
81.07030	1.2
87.08242	0.4
91.05477	2.8
93.07035	0.9
94.04165	0.7
95.04936	1.2
95.08606	0.4
98.21204	0.8
103.05436	1.1
105.03368	1.3
105.06999	1.2
106.04116	0.4
107.04951	2.0
108.05739	2.6
109.02856	0.5
109.06532	2.4
110.87545	0.4
115.05441	0.6
118.04121	0.7
119.04929	0.7
119.08556	1.1
120.05588	0.5
121.06490	4.0
122.03601	0.6
124.05200	5.0
125.05951	0.8
128.06181	0.9
129.06982	1.0
131.04857	1.0
133.02785	0.6
133.06502	2.8
135.04411	3.3
135.08044	0.6
136.05205	3.0
137.05992	0.6
139.07520	13.4
142.07724	0.9
143.08551	0.9
145.06471	0.6
147.04391	3.3
147.08006	3.9
148.05171	2.3
148.08446	0.4
149.05983	1.9
150.06656	0.8
151.07536	15.7
152.06139	0.5
152.07834	0.5
153.05492	0.7
153.06863	0.4
155.06979	2.0
157.01559	0.4
159.04381	2.6
161.02310	3.2
161.05956	6.2
162.06743	3.8
163.03854	0.7
165.05420	0.8
165.06702	0.6
165.09036	2.5
167.03352	1.1
167.07028	10.8
167.08466	0.9
169.06445	0.9
170.07246	1.7
171.08035	1.6
173.05925	0.9
175.03896	1.1
175.07532	1.1
176.04684	1.7
177.05444	10.8
178.06171	1.6
179.07014	23.9
180.07414	0.5
181.04970	0.5
183.08002	0.4
184.05157	0.6
185.05917	2.0
185.09608	0.8
189.05389	0.5
189.09090	7.6
191.07010	26.5
192.07787	47.9
193.08502	6.6
195.06622	0.6
195.08031	15.9
197.05949	0.5
198.05052	0.4
198.06734	9.5
199.07286	0.8
201.09024	0.5
203.07007	27.7
204.07407	0.9
211.07501	0.5
213.09082	60.5
214.09402	2.8
215.10693	1.0
217.08549	0.6
219.06503	1.5
220.07224	2.1
223.07600	0.8
229.08496	0.9
241.08597	11.7
242.08910	0.9
310.04468	0.4
321.11273	0.7
327.08633	1.6
349.10712	0.5
367.15424	6.3
377.13748	1.8
395.14859	100.0
396.15259	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.1486
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07005	1.2
70.56557	4.6
72.06061	1.3
79.05476	5.9
81.07023	4.2
91.05466	5.6
94.04175	1.8
95.04946	1.6
103.05436	2.6
107.04941	2.5
108.05704	2.1
109.06501	4.3
115.05456	2.4
118.04209	1.8
119.08522	1.7
119.44132	1.2
121.06490	3.8
124.05196	5.8
125.06013	1.9
128.06223	2.1
129.07004	1.9
133.02821	1.7
133.06462	4.2
135.04382	4.1
136.05212	2.6
137.06004	1.7
139.07535	19.4
142.07832	1.9
147.04390	5.2
147.08061	7.8
148.05186	3.8
150.06700	2.4
151.07533	13.7
155.07019	5.2
159.04405	4.6
161.02335	4.6
161.05937	7.4
162.06764	5.0
165.09109	4.8
167.07004	13.1
168.07520	1.4
170.07278	3.9
171.08014	2.4
175.03879	2.4
175.07538	3.7
176.04645	1.4
177.05444	11.3
179.07039	19.5
185.05905	3.6
189.09035	10.6
191.07011	32.3
191.08717	2.3
192.07779	53.1
193.05058	1.6
193.08484	7.9
195.08047	19.6
197.05911	1.7
198.06760	15.6
203.07011	30.8
204.07309	1.5
208.78267	1.4
213.09087	63.3
214.09435	1.7
220.07382	1.8
223.07448	1.4
241.08569	15.5
367.15518	7.6
371.80920	1.6
395.14868	100.0
396.15115	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	395.0735
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	4.7
56.96552	5.0
67.05463	5.1
69.03400	3.1
69.71127	22.2
70.06583	19.1
72.08147	16.5
79.05457	3.3
81.03378	5.1
81.07030	6.9
84.08104	10.6
84.96063	2.9
86.09676	9.2
87.67216	2.9
91.05429	9.1
95.04919	3.1
95.08571	3.6
97.02843	3.3
97.96806	2.9
98.20663	3.0
98.97562	17.5
99.04433	2.7
105.03406	3.5
105.06983	5.8
105.53555	2.7
109.02836	4.1
110.07129	3.7
110.97562	5.3
112.11180	6.5
116.55211	2.9
116.98579	10.8
118.63485	2.6
119.04913	3.9
120.08099	5.2
121.06554	2.9
121.10120	4.0
123.08054	3.3
128.98567	4.0
129.06956	3.5
129.10173	3.1
129.13832	3.8
133.10037	2.6
134.99629	4.9
135.04341	4.9
137.02278	3.3
137.05949	2.8
146.99617	7.9
159.07930	3.2
159.11638	3.0
161.01140	5.1
173.13272	3.4
177.00507	3.1
183.02788	3.4
186.82242	3.1
187.11057	3.0
187.14767	3.2
189.01837	3.8
207.03098	8.5
219.01653	5.3
237.02798	13.4
252.07672	3.9
254.17448	4.2
259.08099	4.2
260.08722	4.7
281.07135	4.7
295.05875	7.0
299.05438	13.6
309.06693	12.3
310.07874	8.1
311.05048	4.1
311.08313	18.2
321.07175	3.9
323.05392	8.6
324.06024	5.1
325.06894	4.3
327.07462	46.0
338.07645	5.6
339.08487	7.3
349.06830	9.8
349.22623	3.2
351.07877	4.1
367.07861	11.6
377.06360	10.7
395.07352	100.0
395.14685	7.9
395.22147	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	395.0668
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56170	1.3
58.99863	3.7
60.60544	1.2
70.67811	4.3
77.00888	2.3
82.99827	3.2
98.21037	2.5
99.95905	1.2
101.00871	27.9
103.02462	3.2
109.01389	2.0
113.00862	10.2
115.66534	1.4
117.03986	3.9
119.01908	65.4
127.02426	7.2
129.03934	2.9
131.01889	49.1
135.05005	3.8
137.02939	8.6
141.03978	4.5
142.03502	1.8
143.01865	15.1
145.03452	74.5
147.01335	2.0
147.04985	2.9
149.02963	9.1
153.04047	1.8
155.01906	8.9
157.03424	2.4
159.05031	28.3
161.02942	24.7
163.04492	19.2
168.05087	2.5
169.03448	47.0
170.03671	1.6
171.01462	3.7
171.05019	20.0
173.02948	17.8
177.06148	1.9
181.03464	10.4
184.04448	2.1
185.01465	1.3
185.02942	8.9
187.04503	100.0
188.04681	3.8
189.02429	20.1
189.06071	4.9
191.04010	2.7
197.02899	2.4
199.04498	32.6
201.02438	2.9
203.04018	3.9
207.03494	4.6
210.06128	4.9
213.02428	14.3
215.00340	3.0
215.03876	1.4
217.05644	4.2
221.05038	1.9
225.02440	7.8
229.05649	3.4
231.03500	35.1
232.03683	2.3
233.01454	3.1
243.03491	6.9
254.05170	1.6
257.01425	8.2
261.04535	2.3
269.01413	2.7
275.02457	89.1
276.02826	2.8
287.02451	47.3
288.02710	1.9
289.07544	2.2
293.03528	25.5
305.03583	13.2
318.61560	1.4
335.04486	3.1
359.04626	3.8
377.05765	8.9
395.06595	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	395.0668
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92910	0.7
53.03947	0.8
53.09239	0.8
58.99847	3.1
69.03443	1.2
70.67633	3.0
77.00907	1.8
82.99876	2.3
94.99811	0.9
101.00871	27.9
103.02436	1.3
109.01403	0.9
110.07166	0.9
112.91009	0.7
113.00832	8.0
117.03972	5.5
119.01907	65.5
120.01966	1.9
121.03494	1.2
127.02407	7.4
129.03951	2.2
131.01888	45.0
132.02010	1.5
133.03352	1.6
135.05022	4.6
137.02945	10.2
138.30669	0.8
141.02982	0.8
141.03891	4.1
142.03450	1.2
143.01884	12.9
145.03445	71.6
146.03545	2.8
146.35994	0.8
146.59749	0.7
147.01375	1.6
147.04993	3.4
149.02950	6.6
153.03943	1.8
154.03484	1.7
155.01900	8.5
155.05437	0.8
157.03427	4.2
159.05016	28.3
160.05014	0.9
161.02942	21.8
162.03023	0.9
163.03226	1.3
163.04512	16.3
167.01888	1.6
168.05028	2.7
169.03442	50.7
170.03601	0.9
171.01347	5.8
171.05005	17.6
173.02954	17.9
173.06493	1.2
175.04497	1.5
177.06097	2.1
181.03441	12.1
182.06653	0.9
185.02908	8.5
187.04504	99.6
188.04726	3.6
188.66785	1.0
189.02422	20.6
189.06085	4.7
191.04021	1.8
197.02905	3.0
199.04504	34.0
199.06337	1.8
201.02397	3.1
201.06056	1.1
203.03993	5.5
205.01808	1.4
207.01697	1.1
207.03456	6.1
208.17830	0.8
210.06081	5.1
211.04533	0.9
213.02422	16.8
215.00310	3.0
215.03929	1.5
217.05562	3.5
219.03407	1.2
221.05009	2.6
222.06094	0.8
223.00809	0.8
225.02396	9.5
227.00482	1.0
229.05598	3.6
231.03476	32.5
232.03731	1.1
233.01428	2.7
239.06107	1.9
241.01668	1.1
243.03490	7.5
249.04451	1.6
251.02451	2.9
257.01395	6.8
261.04486	3.0
269.01297	2.3
275.02451	100.0
276.02631	3.3
287.02457	52.0
288.02701	1.7
289.04599	1.0
289.07581	4.5
293.03503	27.3
294.03671	1.5
299.02631	0.9
305.03500	13.4
311.04651	2.0
316.05103	2.7
317.03546	1.3
333.06699	1.8
335.04578	3.8
359.04694	5.0
377.05521	9.9
392.72791	0.9
395.06906	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.3313
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	1.7
57.07078	1.5
67.05501	9.7
69.07047	3.4
71.15263	1.3
71.15631	0.9
79.05486	2.6
81.07050	9.2
83.08603	2.4
86.09699	100.0
87.10005	0.8
88.11262	0.8
88.81459	0.5
89.06018	0.9
91.05479	2.3
93.07032	2.6
95.08599	7.6
97.10167	0.7
98.98457	0.7
105.07049	1.2
107.08592	1.9
109.10155	3.4
119.08551	1.3
121.10149	1.8
123.11713	1.2
132.10194	52.4
133.10101	1.4
135.11659	0.7
140.57352	0.6
145.24510	0.6
147.11676	1.1
149.13168	0.7
155.01091	1.0
161.13292	1.1
163.14819	0.6
175.14914	0.9
195.12251	1.2
245.22702	1.8
263.23795	1.4
348.32581	4.6
393.64142	0.6
394.33353	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.0375
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25861	13.7
56.96563	100.0
57.89179	11.6
60.37366	12.8
70.87643	23.7
70.88019	26.8
74.26611	12.3
74.50775	12.1
84.08144	12.0
84.96019	14.9
88.05934	11.3
98.97580	76.9
101.30701	12.2
110.97572	22.2
116.98610	50.6
119.01896	21.9
119.04922	15.5
128.98582	31.0
131.01917	16.1
134.99637	20.7
146.99631	15.8
147.04399	34.3
150.88197	12.0
158.99631	20.3
161.02937	26.2
163.03859	15.7
173.03044	13.2
177.00781	28.4
195.03322	16.9
213.04370	22.4
219.01877	18.1
221.02968	18.1
233.00002	18.2
233.02686	99.9
233.06224	20.7
237.02803	26.9
239.02304	72.5
241.90468	13.8
257.03268	51.1
264.04904	11.9
281.03262	21.3
300.22598	12.3
321.11401	17.2
395.06210	18.8
395.12479	44.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.2008
Annotation	Tylophorine
Peak:m/z	Relative Intensity
53.03937	3.5
53.28983	1.5
66.15232	1.3
67.05474	2.6
69.03419	11.2
69.85876	9.7
70.06599	1.7
70.48660	1.2
79.05471	5.2
81.07027	5.2
91.05479	11.6
93.07021	5.8
95.04944	5.9
103.05449	2.2
105.07011	6.7
107.08585	2.1
109.02883	10.5
109.06496	3.1
115.05412	1.6
117.07021	2.6
119.08568	7.3
120.08089	4.6
121.06483	6.7
129.06912	3.5
131.08545	10.1
133.10101	1.6
134.09599	1.9
135.08006	3.7
141.07022	1.6
142.07742	1.8
143.08504	7.8
144.09335	4.2
145.06435	3.4
145.10081	6.7
147.08099	2.1
149.09506	3.3
153.07002	3.7
155.08553	5.2
157.10107	1.6
158.10924	8.7
159.08061	7.0
159.11694	18.8
168.09389	2.8
170.09569	1.6
171.08052	6.8
172.08844	12.9
173.09627	12.0
173.13228	12.5
175.07495	3.7
181.06393	2.6
183.11671	5.0
186.10373	24.5
187.07553	3.2
187.11163	40.8
196.08838	5.7
198.09036	1.7
199.07449	2.6
201.12720	32.3
201.14577	2.0
211.11151	7.4
212.10612	2.8
214.09872	1.9
229.12225	56.5
230.12392	2.0
320.20120	1.7
348.19476	10.4
394.20096	100.0
394.34995	2.1
395.20517	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	394.2436
Annotation	Unknow
Peak:m/z	Relative Intensity
54.08880	3.0
54.15699	2.7
54.58749	3.1
55.05496	14.7
57.03440	6.9
61.02924	3.1
67.05505	20.3
69.03410	12.2
69.07066	23.3
70.06590	16.1
70.11478	11.5
71.04974	9.0
72.08149	9.1
79.05490	12.4
81.03405	13.1
81.07049	53.8
83.04983	4.6
83.08611	13.6
84.04507	3.2
84.08131	8.6
85.02897	31.9
85.06526	8.6
87.04453	4.7
91.03938	3.2
91.05463	22.6
93.07030	21.9
95.04970	4.6
95.08601	64.5
97.02885	9.1
97.06522	12.1
97.10169	5.6
98.20818	4.6
99.04438	4.5
99.08089	8.6
101.30405	2.8
104.91563	3.2
105.07018	23.0
107.08562	8.7
109.02860	6.5
109.06508	4.4
109.10171	8.1
111.04437	3.0
115.05418	3.3
116.07085	3.0
117.07069	5.8
119.08604	26.5
120.08053	4.9
121.10135	11.9
123.08057	4.0
127.03912	8.5
131.08513	3.1
133.06508	3.5
133.10107	26.4
135.11687	20.2
137.05969	5.2
137.13188	15.9
145.04982	6.5
145.10127	5.2
147.11655	6.3
159.11632	3.9
161.09552	4.1
161.13249	78.3
162.13519	4.0
163.44772	3.5
167.07124	3.8
167.77805	3.2
169.07703	3.6
179.14281	100.0
180.14563	4.2
197.15323	37.3
205.01347	11.4
215.16466	6.7
311.05426	3.8
339.04843	7.7
339.08554	3.8
377.06525	4.2
394.21667	4.7
394.25925	11.2
394.31000	7.6
395.07596	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	394.1707
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05025	8.4
56.96548	29.7
61.02910	8.1
69.03402	23.2
69.07029	11.7
70.06576	46.9
71.72458	11.2
72.08130	16.0
74.06049	9.6
81.07035	9.5
84.04488	31.7
84.08137	62.4
85.02880	47.7
90.26434	7.2
91.05460	27.2
97.02876	25.7
98.97581	25.8
102.09113	8.0
105.42386	7.3
107.04930	17.1
116.07106	20.7
116.98598	19.8
119.04927	60.3
120.08093	17.5
124.07539	11.2
127.03886	13.2
128.98604	15.3
129.10223	21.5
130.05031	7.9
130.06569	15.8
132.95753	9.7
135.04396	18.7
137.05981	43.6
145.02818	7.6
146.06033	7.6
146.99619	9.9
147.04396	100.0
149.05978	12.6
151.07422	8.9
163.03860	22.0
167.07016	20.0
179.07011	94.5
197.07971	9.7
210.84506	8.4
234.99066	8.5
235.64948	7.4
237.02689	18.5
239.02225	14.7
246.25771	7.2
248.09695	7.9
257.03369	10.2
272.57083	7.8
275.75998	8.2
394.20142	10.7
394.34601	15.8
395.07422	16.0
395.13263	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	394.1857
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05484	4.2
57.82325	4.6
69.07062	12.8
70.06589	25.8
70.72446	4.0
71.55687	7.4
72.08160	11.8
72.87138	4.1
84.08138	10.4
86.09702	76.6
88.03994	13.4
91.05444	7.6
93.07008	4.5
110.07169	7.1
119.04961	6.2
120.08097	49.7
129.10249	8.1
131.04910	4.6
137.02278	4.9
137.05959	14.7
141.10187	15.8
147.04382	7.8
156.10190	19.5
161.05879	4.7
166.08601	11.4
175.07672	4.6
188.08348	5.4
198.57808	4.7
201.12309	100.0
229.11806	10.8
323.05463	5.7
324.06195	12.3
337.07126	5.6
338.07806	5.7
367.08023	15.8
394.34805	5.7
395.07605	48.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.1707
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.0
55.93510	4.8
56.05031	3.6
56.96554	2.5
60.04526	3.0
69.03419	4.5
69.63708	14.3
70.06606	8.4
70.83013	1.5
71.93025	3.8
72.08121	2.8
72.93778	6.1
74.06106	1.9
81.03407	4.3
81.08589	1.7
84.04499	4.9
84.08123	8.3
85.02897	11.1
86.09700	4.1
89.94001	2.5
90.94812	8.6
91.05482	9.3
97.02890	3.0
101.00877	2.8
107.04907	2.0
107.95069	2.0
108.95872	2.2
110.07148	5.8
119.01936	10.3
119.04928	16.3
120.08095	4.9
122.03649	3.3
125.96095	6.4
127.03897	2.5
129.10252	2.6
131.01883	5.4
136.07529	3.2
137.03004	3.6
137.05965	100.0
143.98703	1.7
145.03444	11.7
145.04869	2.5
145.96606	4.1
147.04390	47.7
149.02962	1.9
149.96106	4.2
150.96944	2.8
151.07512	3.2
155.01843	2.4
159.04974	4.1
161.02887	3.6
161.96071	4.4
163.04622	2.9
163.97710	2.2
165.99278	3.8
167.97112	2.4
168.04915	2.8
169.03410	6.4
171.04926	2.1
173.02934	2.6
179.07018	52.8
187.04509	13.2
189.02434	2.7
197.08073	15.8
199.04480	5.3
231.03484	5.2
243.03609	2.1
274.55203	1.7
275.02536	15.1
287.02530	10.7
293.03522	5.1
305.03799	2.3
374.64420	1.7
394.34668	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	393.2783
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.3
53.38416	1.2
54.26488	1.4
55.05504	9.4
57.03415	6.6
57.06807	2.0
57.07070	38.8
65.03918	1.7
67.05198	1.5
67.05505	21.3
69.07065	14.0
71.04990	2.0
71.08245	2.1
71.08623	30.2
79.05485	14.5
81.07050	37.8
81.07500	1.3
83.08613	13.4
85.06496	1.9
85.10179	13.6
86.53624	1.6
90.71855	1.5
91.05473	14.4
93.07034	26.5
95.04955	18.5
95.08595	41.4
97.06522	3.9
97.10145	6.1
98.21472	3.5
98.98461	64.1
105.07024	27.1
107.08579	18.2
109.06509	5.0
109.10137	22.2
115.05435	2.6
116.99471	2.0
117.07006	5.0
119.08569	29.6
121.06502	6.9
121.10120	9.3
123.11675	9.2
125.13206	1.9
128.06174	2.0
129.06989	5.7
130.07784	3.0
131.08598	14.3
133.10121	16.2
135.08035	2.6
135.11664	6.3
137.13185	2.9
141.07011	2.1
142.07741	4.6
143.08572	8.0
144.09274	2.8
145.10124	18.9
147.11693	9.0
154.07755	1.8
155.01024	100.0
155.08530	4.7
156.09282	3.0
157.10118	14.6
158.10881	1.6
159.08002	2.1
159.11665	12.3
161.09596	4.3
161.13219	1.5
163.11171	1.9
168.09348	2.5
169.10110	5.8
170.10826	2.1
171.11641	7.4
173.13220	6.4
175.11185	3.2
175.14778	4.5
179.08598	2.3
181.10106	4.5
183.11693	6.8
185.13255	4.4
187.14783	4.1
193.07402	1.6
195.11604	3.4
196.12436	1.6
197.13249	4.4
199.14723	3.0
201.16397	2.3
207.11629	2.0
209.13210	4.9
211.14774	2.0
221.13159	2.2
223.14865	2.0
229.32993	1.6
235.14749	3.4
237.16393	2.5
239.23666	6.7
265.19571	2.1
383.47037	1.4
393.28098	1.4
396.27701	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.3207
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	5.7
57.07071	100.0
58.07404	1.6
59.04996	18.7
67.05500	3.7
69.07056	5.6
69.92716	8.3
70.23250	1.2
71.08625	93.7
71.95079	1.4
79.05458	2.3
81.07048	7.0
83.08599	6.0
85.10175	87.9
89.06026	53.1
89.06589	2.0
91.05466	4.6
93.07022	4.1
95.04957	3.0
95.08589	6.3
97.10199	1.7
98.98440	7.5
99.11726	8.8
103.07550	4.3
105.07019	4.9
107.07065	3.9
107.08573	5.1
109.10133	3.7
113.00008	1.8
119.08553	5.5
121.10117	2.1
131.08591	2.5
133.08597	17.5
133.10135	2.4
141.16342	3.4
143.08479	2.1
145.10100	5.2
147.11662	1.7
151.07564	1.9
151.09619	1.5
155.00990	9.3
157.10056	2.4
159.11652	2.5
169.02524	2.4
173.13217	1.8
177.11200	7.1
191.10527	1.4
195.12274	16.2
199.14769	1.6
199.20535	2.6
239.14735	1.8
239.23456	1.8
243.38823	1.4
393.27597	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.261
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	1.1
65.28557	0.6
67.05482	2.0
69.07035	1.7
70.25793	3.4
79.05465	1.5
80.39881	0.6
81.07034	2.8
83.08566	0.8
91.05458	2.6
93.07033	1.7
95.04950	0.9
95.08583	1.8
96.39017	0.6
105.07009	2.6
107.04971	1.0
107.08582	1.2
108.48169	0.6
109.10143	1.3
117.06999	0.9
119.08569	1.8
120.08123	1.2
121.10077	1.0
131.08546	0.9
133.10147	1.4
135.11630	0.6
151.11162	0.9
155.01001	0.7
157.10118	0.6
160.63753	0.7
164.18916	0.6
171.11713	0.7
194.47510	0.6
268.66611	0.6
277.21768	0.7
329.24734	0.6
357.24142	1.0
370.19781	1.1
375.25070	1.1
393.26083	100.0
394.26505	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2784
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47771	1.4
52.72090	1.2
53.03939	3.5
55.05507	12.8
57.03419	5.5
57.06799	2.1
57.07070	37.0
62.90376	1.4
65.03928	2.0
67.05500	26.4
69.03418	2.2
69.07063	12.5
69.46473	15.3
71.08621	24.7
71.24925	1.4
79.05486	17.2
81.07048	41.8
83.04969	3.0
83.08603	11.8
85.06509	2.9
85.10173	15.3
91.04915	2.4
91.05468	25.0
93.07034	30.7
95.04955	25.5
95.08599	47.4
97.06506	5.0
97.10148	5.2
98.98460	60.1
103.05457	2.1
105.07022	38.6
107.08582	21.0
109.06521	5.9
109.10140	23.0
115.05445	2.1
116.99427	1.6
117.06993	9.3
119.08569	37.7
120.09372	1.5
121.06498	10.5
121.10120	15.6
123.08075	2.3
123.11687	8.9
125.13258	2.1
128.06212	6.0
129.07002	7.6
130.07780	3.4
131.08566	16.6
132.09285	1.3
133.06589	1.6
133.10110	21.3
135.08002	2.5
135.11702	7.7
137.13315	1.6
141.06935	2.3
142.07774	12.2
143.08553	15.3
144.09293	4.0
145.10115	29.9
147.08009	2.2
147.11650	10.3
148.68805	1.6
151.14886	1.6
153.06897	1.5
155.01027	100.0
155.08513	7.1
156.09279	6.8
157.10109	24.7
158.10799	2.5
159.11690	17.2
161.09599	6.9
161.13252	4.6
163.11037	1.9
165.06993	1.9
167.08540	3.5
168.09297	2.1
169.02574	1.7
169.10152	9.9
170.10904	3.2
171.11696	10.8
173.09644	1.9
173.13274	9.7
175.11140	4.5
175.14767	5.8
179.08496	2.5
181.10112	4.2
182.10884	2.7
183.11699	7.5
185.13248	5.9
187.11171	2.4
187.14764	4.1
193.10089	3.3
195.11655	5.9
196.03627	1.4
197.13298	8.0
199.11194	1.7
199.14813	4.1
201.12828	1.8
201.16364	3.9
207.11655	2.7
208.12485	1.5
209.13220	5.9
210.14040	1.3
211.14848	4.6
213.16502	2.2
219.17462	2.1
221.13361	2.2
223.14774	2.1
225.16399	1.8
227.14159	1.8
235.14748	1.8
239.14249	1.7
239.23753	6.9
241.19386	2.3
384.97623	1.6
393.23526	1.9
393.27863	4.3
401.30661	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2396
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	7.4
57.03426	5.5
57.07067	37.1
67.05495	11.4
69.07063	6.2
70.93547	1.6
71.08623	26.2
79.05484	1.3
80.61183	0.5
81.07047	14.3
83.08608	12.1
85.06538	0.7
85.10174	14.3
93.07028	1.3
95.04981	0.7
95.08593	23.7
97.10181	4.7
98.98454	60.7
99.11659	0.8
105.06994	0.7
107.08572	0.8
109.10150	10.1
111.11687	1.5
116.99471	2.0
117.42146	0.5
123.11694	5.0
134.71495	0.5
137.13237	1.9
140.01054	1.1
145.10109	0.5
149.91518	0.5
151.14803	1.2
155.01021	100.0
156.01328	0.6
159.60126	0.5
165.16374	0.8
170.26146	0.5
196.03676	1.3
216.06673	0.5
221.22696	1.2
223.13293	1.2
239.23680	7.2
275.20007	1.0
293.21060	0.8
314.18536	0.6
337.39294	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2605
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44254	0.6
55.05479	1.0
56.96560	1.0
57.07062	6.8
58.07394	1.9
67.05489	2.6
69.07041	1.0
69.41401	0.8
70.28822	3.6
73.74463	0.7
79.05482	1.7
81.07016	2.1
83.08617	1.1
85.57205	0.8
91.05480	1.9
93.07005	2.4
95.04994	1.1
95.08568	1.6
98.21337	0.9
99.50883	0.8
105.07011	1.7
109.10210	0.9
119.08533	1.3
121.10172	1.0
131.08528	1.2
133.10162	1.0
137.09659	0.7
145.10139	1.4
155.00987	0.9
157.10043	0.9
159.11638	0.9
161.09714	0.8
161.99094	0.7
308.19550	1.4
309.20032	3.7
370.19611	2.2
375.24878	4.0
393.26074	100.0
394.26218	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	393.205
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01850	1.5
55.05514	5.8
57.03424	1.7
57.07041	1.2
58.96758	0.8
58.99580	20.3
59.19519	0.9
60.04535	0.8
61.01114	0.8
65.03912	0.9
67.05499	8.7
69.03414	2.2
69.07060	6.9
69.61421	6.0
70.06570	3.6
71.04965	2.4
71.98667	0.9
72.08135	1.8
73.01110	1.7
76.02229	10.2
76.03999	4.3
79.05463	3.6
81.03333	1.0
81.06612	1.2
81.07049	18.2
83.04964	1.1
83.08588	3.8
84.08137	1.1
85.06537	5.6
86.99044	16.3
88.02221	4.9
90.19649	0.8
91.05472	5.8
93.07036	6.2
95.04926	1.1
95.08598	20.3
97.06501	5.3
97.10155	1.2
99.08055	2.1
105.07024	7.1
107.08596	4.2
109.02842	1.5
109.10145	2.7
111.08080	1.4
116.01669	60.4
117.07016	1.2
119.08583	8.9
121.02834	1.8
121.06501	1.1
121.10110	3.6
123.08077	1.8
125.09652	1.3
133.10124	6.5
135.11667	3.5
137.09633	1.1
137.13237	3.4
144.01137	24.7
145.06102	1.3
150.07712	1.7
161.13234	18.2
162.02188	100.0
179.04782	2.2
179.14301	14.6
182.50055	0.8
195.02866	2.0
197.15350	16.0
203.03474	0.9
213.12808	0.9
215.16399	3.1
239.07127	0.8
239.12379	0.8
255.14107	1.5
272.16751	3.9
273.15204	2.6
295.06036	4.8
300.16147	1.3
307.06192	1.7
321.07547	1.9
325.07135	1.9
340.15616	2.4
347.08887	1.4
358.16711	5.8
365.10510	1.1
375.08658	3.2
376.17899	5.9
393.09525	9.4
393.18796	81.9
394.09500	0.9
394.19006	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	393.2014
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48761	2.1
51.61661	2.5
53.03936	6.8
55.05494	5.1
56.92982	2.1
57.03425	2.8
67.05495	6.2
69.03416	10.0
70.06588	5.9
72.08185	2.9
73.02906	3.4
79.05485	26.6
81.03411	5.0
81.07010	3.5
83.04971	22.6
83.06085	13.4
84.04496	17.3
84.08138	2.3
85.02895	10.8
86.09690	9.5
89.03918	2.7
91.05469	11.4
93.07030	10.9
95.04959	4.4
97.02892	5.7
101.07120	9.2
105.07008	9.5
107.04937	24.7
107.08576	26.7
109.02856	9.1
109.06525	3.6
116.04981	14.6
117.07002	5.0
119.01929	4.6
119.08560	9.9
119.59681	2.5
120.08089	10.3
121.06494	20.1
127.03907	3.6
128.06163	3.1
129.06558	43.1
130.04996	11.4
131.08545	12.4
133.10094	3.5
135.08026	43.3
137.05931	3.7
143.08536	9.2
144.09320	7.7
145.03409	4.5
145.06442	7.3
145.10127	8.0
147.07640	13.0
151.03860	5.4
155.08568	3.7
157.03424	3.2
157.10139	3.8
158.10847	6.4
159.08046	10.2
159.11685	17.5
160.08731	4.2
161.09538	6.0
163.07530	34.9
171.08054	9.0
172.08789	14.8
173.02921	2.6
173.06013	3.0
173.09612	11.5
173.13266	21.5
175.07520	3.1
183.11638	8.6
185.02896	5.0
185.09583	4.4
186.10393	31.9
187.11169	32.2
189.09036	3.8
196.08826	7.3
200.13835	2.6
201.12720	59.5
205.12210	6.5
211.11174	10.5
214.09810	5.8
219.13785	5.6
229.12216	85.2
234.12238	2.5
245.04973	3.7
246.14801	5.9
247.13293	23.2
273.59775	2.3
322.08228	5.3
330.17194	5.1
350.07797	10.4
351.08655	3.8
358.16376	18.5
365.10294	6.3
375.19113	100.0
376.19235	2.9
378.07257	9.2
379.07593	2.9
393.09662	52.3
394.10040	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	393.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01876	0.3
53.03957	0.4
54.03463	3.4
55.04249	0.5
57.03419	0.7
59.06116	0.6
61.02911	1.2
65.03960	0.3
69.03421	3.8
69.07075	0.4
69.73853	0.9
69.74284	1.7
70.06587	2.0
71.04960	0.4
72.08143	1.1
73.02907	0.9
76.37654	0.3
77.87198	0.4
79.05459	0.3
80.04999	0.5
81.03430	1.9
81.04532	69.2
82.04876	0.8
82.05316	1.7
84.04514	0.5
84.08136	1.1
85.02902	4.4
87.04465	0.4
91.05476	0.6
92.05012	0.6
95.04958	0.5
97.02887	2.3
98.97572	1.7
99.04459	0.5
108.08134	0.4
109.02877	1.4
109.05251	0.4
110.06032	17.1
110.07119	1.6
116.07108	0.6
116.98588	1.7
119.04910	0.7
120.08119	0.4
122.07139	72.2
123.07924	42.0
123.08858	0.7
124.08235	0.8
126.03735	1.0
127.03962	1.3
128.03384	0.3
134.06033	1.0
134.99641	0.6
140.08157	1.3
144.04767	2.9
145.05098	2.6
146.04361	0.4
146.06032	0.3
147.04344	1.8
150.92613	0.3
158.99644	0.8
164.74733	0.3
166.19609	0.3
173.07069	1.3
176.06960	0.5
177.00687	1.0
213.11322	1.1
214.09718	2.7
227.08208	0.4
229.10828	0.6
230.11632	1.4
231.12384	62.0
232.12706	2.0
239.72516	0.3
247.04221	2.0
255.07582	0.7
255.11229	0.6
260.98297	0.4
262.79562	0.3
272.11334	0.7
273.13516	0.9
284.12326	0.4
325.17465	0.5
343.18378	0.5
351.09671	0.3
375.11801	1.4
393.17630	100.0
394.17944	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	393.1149
Annotation	Unknow
Peak:m/z	Relative Intensity
59.91524	0.5
70.06577	1.6
70.25986	2.6
72.08157	1.0
73.37257	0.6
82.29908	0.5
84.08128	1.0
86.09696	1.5
105.07027	3.2
116.92342	0.5
119.01893	1.1
120.08100	1.3
129.10236	0.8
131.01923	0.6
135.01526	0.5
137.06026	1.2
143.11874	0.6
205.07106	0.7
217.07184	0.5
223.08139	0.6
247.08176	0.9
254.89516	0.5
289.10550	0.8
292.79092	0.6
307.11417	5.4
331.11423	0.9
341.76031	0.5
349.12537	37.6
350.07495	0.5
350.13132	1.5
393.11520	100.0
394.11902	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	393.1329
Annotation	Hookerianin
Peak:m/z	Relative Intensity
55.05454	0.5
57.07031	0.7
58.06562	0.7
67.05457	0.6
67.98576	0.5
70.02422	2.4
77.26338	0.5
79.01784	0.5
79.05428	1.2
81.06973	1.5
90.96331	0.5
91.05439	0.8
92.40170	0.5
93.06965	0.7
95.04910	0.5
95.08559	0.9
98.21384	0.8
98.98409	0.6
99.06940	0.5
107.04890	1.2
119.67406	0.5
124.52460	0.5
130.28296	0.5
131.08490	0.9
135.04315	1.7
135.07997	0.9
139.07472	0.6
147.03319	0.6
147.04388	7.0
148.05032	0.7
151.07480	0.7
153.05392	1.0
155.00961	1.6
159.07921	1.2
160.63675	0.5
161.05890	0.8
162.03149	0.7
163.03848	0.8
167.06956	1.5
171.07962	1.0
173.05968	2.9
175.03783	1.0
176.04649	2.7
183.07979	1.0
183.56026	0.5
184.05038	0.6
185.05907	0.7
187.03806	2.1
187.07478	1.6
189.08961	0.5
191.07011	20.9
192.07364	0.8
193.04845	1.2
197.05847	1.0
198.06673	0.8
199.07416	2.4
205.04906	1.6
211.07489	0.9
213.05347	0.6
214.06236	0.6
215.06946	1.4
219.06360	0.6
224.23706	0.6
229.08649	0.5
239.06885	1.5
241.08664	0.7
249.09157	0.5
255.10063	0.9
257.08124	3.1
261.09137	0.8
263.06686	0.6
265.08386	0.8
273.09207	0.6
275.07159	0.7
275.10678	0.6
277.08374	0.7
279.06558	1.0
279.09952	0.7
286.84280	0.5
289.08307	0.7
291.10019	0.9
293.08020	1.7
303.06424	3.2
303.09729	1.1
304.07324	0.8
304.10721	1.1
305.07983	0.7
305.11493	0.6
307.05862	1.7
307.09586	2.6
309.14896	1.2
309.73642	0.5
315.09949	1.2
317.07968	1.3
318.08795	2.1
319.09653	2.5
321.07788	1.0
321.11179	3.6
329.08203	0.8
331.05807	1.5
331.09625	1.5
332.06628	0.8
332.10300	1.1
333.11111	4.9
334.11972	0.7
335.09079	10.2
337.14334	0.8
345.07385	0.7
346.08252	1.6
347.09085	4.5
347.12515	3.4
349.10626	4.8
350.11444	3.8
357.03400	0.5
361.10733	3.0
362.11490	2.5
363.08472	1.8
363.12506	0.9
365.13809	100.0
366.14063	4.7
370.19962	0.6
376.26166	0.7
378.10797	1.8
393.13287	38.2
393.32779	1.4
394.13733	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	392.9972
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02365	1.5
53.03942	50.5
55.93501	3.1
56.36393	0.8
56.96544	4.2
58.99859	8.5
71.73690	1.0
71.93020	2.0
72.93780	6.5
73.94548	0.9
77.00878	4.9
81.03411	90.7
82.03703	1.3
82.36033	0.9
84.08137	1.9
84.96016	1.3
89.94030	3.6
90.94836	5.4
98.97585	1.6
99.02932	2.4
101.00839	1.5
103.02406	7.3
105.93549	1.4
107.95068	1.8
108.95815	1.5
110.07191	1.0
116.98589	2.4
117.03992	34.8
118.04017	1.4
118.49015	1.1
119.01906	17.7
121.03461	4.3
123.94541	0.9
125.00841	0.9
125.96096	2.3
127.02383	2.3
131.00227	1.3
132.95798	1.2
134.99658	1.1
135.05020	38.0
136.05049	1.1
137.02948	6.8
139.02403	1.6
140.05640	1.1
143.00096	1.4
143.01872	5.0
144.99854	1.2
145.03452	31.9
145.96626	2.3
146.03476	1.0
147.01393	9.5
147.03149	1.6
149.96068	3.0
150.96867	2.7
157.03455	24.5
158.03586	1.7
158.99643	1.7
161.01294	1.9
161.02953	20.5
161.96068	3.1
163.00909	1.2
163.04495	20.6
163.97627	2.7
165.02444	3.3
165.99257	2.7
167.97137	2.1
171.01389	4.3
171.05067	1.3
173.01224	2.1
174.97585	4.1
175.04501	20.0
177.00665	1.5
178.35126	1.0
179.04012	3.2
179.05521	0.9
179.97096	1.4
183.04958	2.4
187.00861	3.1
189.02429	34.7
189.04156	1.8
190.02538	1.8
190.98711	1.0
191.97116	2.6
196.99654	2.7
197.06554	16.1
199.04497	2.1
201.06038	1.6
205.01884	3.5
205.95157	1.4
206.11626	1.1
207.03465	15.9
207.05092	5.4
212.04041	1.4
215.00459	2.4
215.07660	5.7
219.01718	1.7
219.96680	3.6
220.07974	1.3
223.04518	2.0
225.06081	24.6
226.96994	2.7
227.03960	4.1
233.01410	11.8
237.02800	2.0
240.98587	5.7
241.05490	4.8
243.07153	6.3
245.05128	2.2
251.02402	59.2
252.02611	2.2
256.03033	2.2
259.06757	1.5
266.96558	13.9
269.05206	9.7
270.96085	1.3
271.03040	1.4
274.04050	2.2
284.97589	1.8
287.06113	1.7
289.26025	1.1
294.96277	1.1
295.03006	1.7
312.97089	51.8
313.04028	28.8
313.97125	1.7
314.04074	1.6
330.98166	100.0
331.04703	21.4
331.98349	4.7
332.05487	1.6
348.99219	2.5
353.99768	8.7
354.06445	2.4
392.99463	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.3155
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29580	0.5
54.80363	0.4
55.05510	2.2
55.05747	0.5
57.03416	0.6
57.07068	6.0
67.05498	8.4
69.07062	3.6
69.76633	1.8
69.77065	1.4
71.08620	3.7
79.05485	5.9
81.07051	9.1
83.08611	2.9
85.10178	1.8
86.09696	100.0
87.10033	1.0
88.11282	0.6
91.05466	3.8
93.07035	7.5
95.08599	8.9
97.06512	0.6
97.10148	0.7
98.97879	0.9
98.98459	8.8
105.07053	2.3
107.08595	5.3
109.10126	2.8
117.07027	1.4
119.08578	1.9
121.10128	4.9
123.11667	1.5
131.08551	2.0
132.10188	63.8
133.10072	2.2
133.22847	0.4
135.11685	3.2
137.13216	0.5
140.06473	0.4
145.10107	1.9
147.11685	0.6
149.13246	1.7
155.01015	14.7
159.11687	1.4
161.13260	1.6
163.14819	1.7
173.13239	0.9
177.16359	1.5
187.14824	1.2
234.67632	0.5
239.23615	1.1
243.21057	2.5
261.22095	5.4
267.85645	0.5
346.31116	4.5
392.31647	3.7
408.52844	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.2105
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96560	56.5
57.07064	6.4
58.19543	3.9
64.21197	3.5
71.75343	4.9
94.54416	4.5
117.69412	4.4
121.08226	3.9
146.99710	6.9
149.02354	11.5
150.02693	6.8
169.05316	4.1
171.03290	4.5
197.35173	3.8
199.06448	18.3
201.07990	6.9
201.69472	3.9
203.05788	5.6
211.06378	9.9
213.07967	39.9
217.07417	26.6
221.29927	4.6
225.07957	4.6
229.07465	93.0
231.09073	38.1
243.08997	12.7
247.08517	76.9
252.09058	15.3
255.09038	5.9
261.10117	12.1
267.09064	8.2
269.10583	19.7
270.10153	7.7
273.10159	6.9
276.39938	4.1
285.10083	7.0
287.11588	10.6
330.32220	5.0
333.17361	10.3
351.18414	51.3
369.19446	100.0
370.20142	6.9
374.19910	5.4
387.20453	9.4
392.20892	28.8
392.36301	11.1
417.94473	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	392.2426
Annotation	Pentagydine
Peak:m/z	Relative Intensity
53.03919	0.6
55.01881	0.8
55.05507	14.8
56.96526	0.6
57.07059	0.7
59.57253	0.6
67.05502	3.1
69.03418	1.7
69.07059	2.3
70.06570	0.7
70.97837	0.5
70.98173	1.8
71.04984	0.6
71.08616	0.6
79.05489	4.5
79.64810	0.6
80.05013	1.7
81.07057	4.6
81.07453	0.9
83.04955	1.1
83.08611	6.2
84.04474	0.6
84.08118	0.8
86.09706	0.6
87.04458	11.7
91.05473	2.2
93.07036	3.0
94.05970	1.1
94.06557	16.9
95.08596	1.6
97.10159	9.7
105.07019	2.5
106.06558	0.9
107.07332	0.8
107.08556	4.4
108.08128	1.0
109.10155	0.9
111.48892	0.5
117.07030	1.0
118.06515	1.0
119.08532	1.8
120.08092	3.8
120.56406	0.5
125.09610	4.1
132.08047	1.9
133.08885	0.8
134.09647	5.4
135.08049	0.5
136.07516	1.2
136.11205	4.9
145.10150	0.8
146.09651	1.3
148.07544	16.1
148.11198	1.5
149.02368	1.9
149.08247	0.6
150.09152	5.1
155.01060	0.7
155.08601	0.7
159.08205	0.6
160.11227	1.9
161.08339	2.4
162.09128	20.2
163.09583	0.8
164.10696	0.8
166.08650	1.7
174.09125	2.3
174.12709	1.1
176.07001	1.1
176.10625	1.3
178.08644	1.7
180.10167	7.7
184.11134	0.8
186.09161	0.8
187.09813	0.8
188.10725	3.5
189.11307	1.1
190.12331	1.4
192.10115	1.4
198.09065	0.9
200.14284	0.7
202.12247	27.7
203.12625	1.7
204.13846	3.4
206.11775	2.0
212.14522	0.6
216.10207	0.6
216.13661	0.9
220.13326	1.7
221.13843	0.7
222.14874	9.9
223.15210	0.8
226.12309	1.2
230.11751	1.9
240.13812	0.8
247.78117	0.6
268.16943	3.7
274.18033	0.9
284.16422	0.7
286.17972	10.2
287.18484	0.9
288.19455	0.8
300.27042	0.6
302.17392	4.7
310.21603	0.8
314.17416	1.6
328.22534	3.4
332.18512	6.6
338.21164	2.1
350.19482	5.6
356.22131	14.8
356.26498	0.7
357.22403	1.2
374.23203	20.0
375.23477	1.3
392.24271	100.0
393.24579	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	392.2103
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02364	1.6
55.41633	1.6
56.96034	1.3
56.96562	35.1
57.17677	1.5
69.46703	15.4
69.47127	3.8
71.08627	1.4
71.95266	3.7
72.96040	2.3
77.12907	1.7
101.42206	1.5
110.97588	4.3
128.98610	8.0
137.02719	2.0
146.99680	5.8
149.02339	4.6
150.02660	4.3
155.03856	2.2
191.35031	1.6
192.36392	1.5
193.22154	1.8
199.06358	2.3
200.92511	1.5
201.15910	1.7
203.05966	2.8
213.07919	2.7
217.07492	3.5
218.04625	1.6
222.07903	1.8
223.10023	2.7
231.09096	1.8
239.09650	2.4
241.11113	44.9
257.10809	2.0
259.12152	56.0
264.12790	6.9
269.10480	3.9
271.12256	2.5
282.13840	4.7
309.17441	2.4
333.17368	3.5
351.18390	47.1
352.18698	2.2
369.19464	100.0
370.19650	3.6
374.20041	3.4
387.20435	9.5
392.21115	24.1
392.36328	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	392.1213
Annotation	Unknow
Peak:m/z	Relative Intensity
62.69939	1.0
69.07061	28.9
70.06583	3.0
71.74674	1.0
72.08170	1.2
84.04535	1.6
84.08166	1.7
85.02859	1.1
85.07610	1.1
86.09684	1.7
97.02884	2.7
109.40248	1.1
112.05080	100.0
120.08122	1.0
124.05067	10.5
124.70633	1.2
144.04826	1.7
149.02350	5.3
150.02689	1.6
167.03436	1.1
180.11302	65.4
240.00320	1.0
245.09532	4.0
309.17126	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.1484
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29779	0.8
53.01973	0.8
55.01864	4.5
55.05496	1.3
56.05027	2.4
57.03436	4.7
58.99581	4.8
61.01118	0.8
65.03939	1.0
67.05500	1.7
68.05029	1.0
69.03427	1.2
69.07034	1.1
70.02944	3.4
70.06585	2.4
70.96474	1.7
70.96851	1.8
71.67368	0.9
72.08128	0.9
73.01134	1.5
74.00661	19.8
76.02220	16.7
76.03999	9.2
76.21991	0.8
79.05488	0.8
81.03402	1.3
81.07028	1.0
83.04992	1.1
83.06099	3.0
84.04495	28.5
84.08136	4.5
85.01135	2.1
85.02909	2.3
85.04019	15.7
85.06535	5.2
86.00665	1.8
86.99036	1.6
87.02689	1.3
88.02206	3.5
91.05442	1.2
92.01701	7.4
96.08093	2.0
97.02907	1.0
98.97522	0.7
99.01384	0.9
99.02661	5.9
99.05585	1.0
100.02208	4.2
102.05526	1.4
108.08119	3.1
112.03967	6.9
113.03484	6.4
114.05535	0.9
115.05781	1.2
115.73753	0.8
116.01656	7.2
116.05336	1.0
117.03705	24.6
119.04900	1.4
120.61894	0.8
122.07175	1.0
125.04240	1.9
126.03726	3.6
126.62959	0.9
129.06606	3.0
130.04990	33.9
131.04491	13.3
131.05336	1.1
131.51462	0.8
136.06131	1.3
142.03253	1.2
142.05026	1.0
142.06848	11.2
142.08597	2.0
143.05295	3.9
144.01147	3.3
144.04770	9.7
145.04984	1.8
145.06064	16.1
147.04408	2.1
149.02399	0.9
149.03784	3.4
153.06635	1.2
160.00638	3.2
160.07904	12.5
162.02158	8.6
162.03145	0.8
162.36180	0.8
177.03279	100.0
178.03621	1.1
179.04854	5.1
181.06068	3.0
185.03813	4.8
186.05780	1.0
188.07385	2.4
196.09660	3.5
203.04819	1.2
228.06819	1.2
231.04344	5.3
233.05865	1.0
245.09506	16.8
246.07980	1.7
247.04233	1.9
263.10657	1.5
288.06439	9.0
289.04947	1.2
299.10574	1.5
303.11996	0.9
306.07361	6.9
317.11603	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2837
Annotation	Amphidinolide W
Peak:m/z	Relative Intensity
53.03939	4.5
55.01850	7.8
55.05508	36.0
57.07069	9.3
65.03924	6.1
67.05499	61.3
69.07060	54.4
70.12452	19.7
71.04967	5.0
71.08607	6.4
79.05480	49.4
81.06612	5.6
81.07050	100.0
83.04935	4.2
83.08617	18.3
85.06538	4.3
91.05460	48.1
93.07029	43.9
95.04990	9.2
95.08588	50.5
97.06517	9.4
97.10131	11.1
97.32238	3.8
98.20715	4.9
98.98447	8.4
99.08052	6.5
105.07020	62.6
107.04926	8.9
107.08596	29.0
109.06496	14.2
109.10140	27.4
111.08067	8.1
117.06982	24.3
118.18420	3.8
119.08572	51.6
121.06474	7.3
121.10161	24.8
123.08093	4.9
123.11727	5.4
125.09621	5.1
129.06970	12.1
131.08539	29.8
133.06447	11.1
133.10117	46.0
135.08018	6.3
135.11661	12.7
137.09618	8.1
139.11162	13.6
143.08540	9.1
145.10126	26.9
147.08023	7.2
147.11707	22.5
147.96375	4.0
149.02312	38.7
149.09587	16.4
149.13226	5.5
151.11186	5.7
155.08527	6.6
157.10143	12.9
159.07983	6.7
159.11653	11.5
161.09642	4.9
161.13260	9.4
163.11198	5.7
166.81282	5.0
169.10091	9.5
171.11667	13.0
173.09674	6.7
173.13258	12.2
175.11192	12.2
177.12674	7.8
183.11658	9.5
185.13235	5.0
187.11255	8.8
189.12724	6.1
197.13242	5.8
199.14786	5.7
215.14297	6.2
219.40622	3.8
227.17914	6.3
229.19386	6.5
239.17850	10.4
247.20459	6.1
257.18985	18.0
275.20041	91.7
303.19681	6.9
329.95554	3.7
355.26080	17.7
373.27377	32.8
391.28021	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	392.1006
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.2
55.01857	1.0
55.05482	0.8
56.05028	0.4
57.03423	1.8
58.99561	1.3
59.82135	0.4
61.02913	1.5
62.23604	0.5
65.03931	4.8
68.05024	3.6
68.99778	0.5
69.03098	0.6
69.03426	8.5
70.06586	2.7
70.27546	0.4
70.56820	1.6
71.04982	1.0
71.08657	0.5
72.08140	1.5
73.02908	2.0
81.03407	6.9
81.04517	1.9
84.04490	0.7
84.08122	1.8
85.01134	3.2
85.02894	12.8
86.09733	0.6
87.00822	2.7
87.04487	0.5
97.01099	0.6
97.02885	4.3
97.48595	0.4
98.00639	4.2
98.97574	0.5
99.02675	6.8
99.04427	2.3
103.03927	2.5
105.01836	1.4
109.02866	5.5
110.07140	0.7
112.02256	0.7
113.02939	3.2
116.01654	0.8
116.07084	0.8
122.07148	1.3
123.07975	0.7
124.76094	0.5
126.03728	36.9
127.03799	7.2
127.04646	1.4
128.04169	0.5
129.01831	0.8
129.10205	0.8
142.06853	0.6
144.04767	100.0
145.05025	2.4
147.02850	0.5
147.04391	0.7
149.02385	2.1
150.02655	0.8
157.10188	0.5
159.02849	1.2
177.03383	0.8
186.05792	2.4
187.06018	1.1
230.11438	0.5
231.04994	0.8
231.12360	1.2
245.09615	0.7
306.10043	7.6
319.31482	0.5
348.11151	1.2
374.09006	1.0
392.10065	19.7
393.10416	0.5
393.17529	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.245
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88066	0.9
56.96535	0.8
57.07060	1.5
63.84373	0.8
70.06566	1.0
70.09141	4.3
71.08615	1.4
84.21157	0.9
91.84902	0.9
96.81494	0.8
97.83255	0.9
149.02332	13.6
198.16992	0.9
329.32333	1.5
350.17166	1.4
351.18188	1.6
369.19510	3.8
391.24500	100.0
391.35291	4.3
392.24768	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2475
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	19.2
57.03427	11.4
57.07068	8.1
67.05495	21.6
69.03426	10.0
69.07050	16.7
70.06585	15.9
71.04987	6.0
71.08622	8.6
71.73370	6.6
72.08139	21.5
79.05489	51.9
81.03420	6.7
81.07053	36.0
82.07381	3.9
83.08609	11.0
84.04514	6.4
84.08134	8.5
85.02888	8.7
85.06539	5.0
86.09664	5.7
87.04436	6.6
89.37550	3.7
91.03929	5.2
91.05466	35.9
93.07059	28.5
95.04969	8.3
95.08605	32.8
97.06520	10.9
100.11233	5.1
105.07028	48.2
106.07324	5.0
107.04965	5.1
107.08586	100.0
109.06504	6.8
109.10153	17.5
111.08050	4.1
114.10286	10.5
116.06261	4.2
117.07013	16.9
119.08577	36.9
120.08107	9.7
120.08881	3.9
121.02828	4.5
121.06517	11.1
121.09394	4.5
121.10127	22.1
123.11793	4.7
125.09618	4.5
127.03892	5.6
128.06305	4.7
129.06985	6.0
130.07753	9.3
131.08545	42.0
133.10132	21.2
135.08025	5.1
135.11676	6.7
137.05966	7.9
139.07585	5.7
143.08556	15.0
145.06415	5.7
145.10123	62.0
147.08043	6.5
147.11671	23.3
149.01227	8.6
149.02332	78.5
149.05872	3.9
149.09616	13.1
149.13205	4.9
155.08568	5.1
157.10106	15.6
159.08080	4.7
159.11681	16.9
161.09566	12.0
161.13271	7.7
163.07544	4.5
165.12762	5.5
167.03415	5.7
167.07098	4.8
169.10144	9.1
171.11682	11.3
173.09633	35.8
173.13274	7.4
175.11174	8.5
175.14864	5.2
176.15125	14.9
177.12767	5.5
178.16733	8.7
183.11650	6.4
185.13237	8.6
187.11133	10.5
189.12740	5.1
191.10641	22.0
215.17781	4.5
238.17982	7.0
253.19505	21.2
263.13925	4.9
271.20456	28.3
319.20563	8.8
337.21466	45.2
355.22720	44.5
356.22949	5.8
357.43298	4.1
359.12427	4.9
373.23749	22.3
391.25723	15.3
392.24377	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	391.2627
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	3.8
55.05508	13.5
57.07064	5.9
59.05012	2.5
60.71544	2.8
65.03923	3.3
67.05507	18.0
69.03432	4.5
69.07063	11.2
69.91750	9.9
69.92156	7.1
71.08660	3.5
77.00389	2.9
79.05490	27.6
81.03429	3.0
81.07049	34.2
83.04991	5.9
83.08615	5.0
85.06548	5.0
91.05470	40.3
93.07036	42.8
95.04966	42.0
95.08604	22.0
97.06539	7.9
103.05489	3.5
105.07024	71.6
107.08575	24.7
109.06535	10.4
109.10157	9.7
115.05450	6.0
116.06263	3.6
117.07021	16.6
119.08571	51.4
121.06521	10.1
121.10130	22.1
123.08065	5.4
123.11712	4.3
128.06221	9.8
129.06990	15.8
129.60329	2.8
130.07797	6.7
131.08559	25.7
133.10120	15.8
135.08044	6.1
135.11684	4.6
141.06964	3.6
142.07800	15.9
143.08557	35.8
144.09294	4.9
145.06528	4.3
145.10112	52.4
147.08061	6.6
147.11676	9.6
149.02333	15.3
149.09598	3.9
154.07777	5.8
155.08495	14.4
156.09349	10.4
157.10144	30.7
158.10968	4.1
159.08080	8.0
159.11653	14.7
160.08873	3.9
161.09709	7.4
165.07019	9.5
166.07861	3.7
167.08586	8.6
168.09364	5.2
169.10133	26.5
170.10878	3.7
171.11665	17.8
173.09651	5.1
173.13275	15.7
175.11150	3.0
179.08572	10.6
180.09343	6.1
181.10104	13.3
182.10905	7.6
183.08087	3.1
183.11711	17.8
185.09644	5.2
185.13219	8.8
187.11169	4.9
187.14818	3.6
192.09337	6.1
193.10144	11.7
194.10953	8.6
195.11707	20.6
196.12482	5.3
197.09634	4.5
197.13306	17.3
199.11218	8.0
199.14804	7.6
201.12747	3.5
205.10098	6.6
206.10910	4.3
207.11705	17.1
208.12462	11.1
209.13242	17.2
211.11250	5.9
211.14870	10.4
213.12875	5.6
217.10258	4.7
218.10828	4.0
219.11734	8.5
220.12514	5.4
221.13263	16.7
222.10513	3.3
222.14059	4.9
223.11180	3.4
223.14816	11.3
225.12804	4.8
225.16412	3.9
227.14285	6.0
230.10852	2.9
231.11761	4.7
232.12340	4.7
233.13248	7.6
233.15430	5.0
235.14812	8.4
237.16396	4.6
239.14406	3.6
239.17992	2.9
243.11681	4.7
245.13275	3.8
247.14799	6.8
249.12723	5.4
249.16469	11.2
251.14427	5.7
255.17461	5.5
259.14774	5.3
261.16437	7.8
263.17953	10.5
265.19638	4.4
267.17493	5.4
269.18967	4.7
273.16415	6.5
275.17969	3.5
277.19540	4.5
281.18906	5.1
282.19815	9.1
288.57806	2.9
291.17343	4.9
293.19101	4.3
297.18634	6.1
307.20618	3.9
317.18655	4.2
335.20123	6.1
373.25070	15.6
391.26291	100.0
392.26636	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	391.2241
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07072	24.1
69.07067	11.3
71.08624	19.3
71.75543	17.0
79.05499	10.9
81.07047	25.2
91.05452	15.9
97.06541	16.5
121.10152	13.9
145.10132	16.8
149.02325	100.0
151.99182	9.7
155.92068	9.9
219.15570	9.8
388.27853	10.2
391.23276	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	391.2452
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	0.8
57.07051	0.7
67.05478	1.2
69.07047	0.8
70.46213	1.4
70.46626	0.9
71.08609	1.0
79.05486	0.6
81.07036	2.2
83.04987	0.5
83.08599	0.6
91.05474	1.0
93.07038	1.1
95.04939	0.7
95.08579	1.1
105.07022	1.7
107.08604	1.2
109.10135	0.6
119.04985	0.6
119.08559	1.2
121.10135	0.7
131.08568	0.9
133.10060	1.1
138.89194	0.5
145.10115	0.9
147.11647	0.7
149.01227	0.8
149.02335	7.6
167.03352	0.7
169.10115	0.8
171.11713	0.7
189.21358	0.6
292.22958	0.5
336.09821	0.5
373.27930	0.8
383.04822	0.5
391.24509	100.0
391.35553	2.0
392.24835	5.7
411.05167	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2241
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.3
55.01869	31.3
55.05514	35.2
57.03423	9.6
57.07075	16.0
67.05500	42.9
69.03415	3.3
69.06735	4.2
69.07069	47.0
71.04987	2.7
71.08620	10.3
71.73778	3.6
79.05480	27.4
81.07053	52.9
83.04973	4.9
83.08619	35.9
91.05473	18.5
93.07042	33.9
95.04982	19.3
95.08607	36.7
97.06538	32.2
97.10172	18.4
98.97817	4.4
98.98463	82.4
105.07022	20.6
107.04978	2.9
107.08585	24.3
109.06511	8.3
109.10159	18.2
111.08096	5.0
111.11714	8.0
116.99525	3.5
117.07037	6.3
119.08573	18.5
121.06496	4.9
121.10149	28.1
123.11705	11.8
128.06258	3.8
129.06993	5.4
131.08539	9.8
133.10104	11.4
135.08022	4.4
135.11673	23.9
137.09618	2.5
137.13249	7.2
142.07875	3.8
143.08565	11.2
144.09386	2.4
145.10126	12.1
147.11655	6.6
149.02332	26.8
149.13245	8.1
151.07516	3.3
155.01033	100.0
155.08475	4.6
156.09340	4.0
157.10150	12.0
159.08052	2.6
159.11729	7.1
161.09605	3.8
163.14856	3.0
167.08543	4.4
169.10143	6.8
171.11696	7.0
173.13313	5.4
175.11182	4.2
179.08632	4.3
181.10179	6.3
183.11658	8.1
185.13187	4.9
187.11133	3.1
187.14825	3.6
193.10127	5.6
195.11713	7.5
197.13219	5.8
207.11658	4.6
208.12477	4.1
209.13263	7.2
211.14851	6.4
215.14439	2.9
216.12967	2.4
217.15717	2.7
219.11635	3.0
219.21059	12.9
221.13248	5.0
223.14772	6.2
235.14871	3.8
237.22127	33.5
249.16394	4.4
249.22107	4.6
251.17850	3.5
266.05835	2.7
275.20242	6.1
355.26282	11.0
373.27069	9.9
391.26062	22.8
413.43079	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1957
Annotation	(-)-11-hydroxy-9,10-dihydrojasmonic acid 11-beta-D-glucoside
Peak:m/z	Relative Intensity
53.03934	8.6
55.01866	4.2
55.05495	7.8
57.03429	4.1
67.05495	22.2
69.03429	5.1
69.07054	14.0
69.98888	5.5
69.99287	8.8
70.06584	2.2
71.04993	8.1
72.32033	2.4
79.05479	17.6
81.03407	76.7
81.07043	91.6
83.04967	6.8
83.08605	7.9
85.02893	4.1
85.06520	8.9
91.05466	30.6
93.07015	18.0
95.04956	5.7
95.08589	19.5
96.16774	2.1
97.06506	11.3
99.04438	15.5
99.08087	4.1
105.07016	44.6
107.04940	3.1
107.08575	14.9
109.02865	68.8
109.06541	4.8
109.10161	2.5
119.08567	30.1
121.02863	3.7
121.10136	29.8
123.08018	3.5
123.11695	40.2
127.03904	9.8
127.07571	4.5
129.07016	3.6
133.10097	4.6
137.13223	2.6
147.11665	100.0
149.02324	8.0
157.10089	6.6
163.11121	2.1
165.12735	65.0
175.11201	10.2
183.13853	9.9
189.01794	2.6
193.12239	14.6
211.13118	3.9
215.08139	2.6
229.14319	52.3
229.16435	3.9
245.04546	2.7
267.11145	2.9
285.12326	18.3
297.12280	7.5
307.05988	11.5
315.13321	3.6
321.07574	5.1
329.08231	2.5
337.16409	5.8
341.11331	16.2
345.07541	5.5
355.17477	71.9
356.17682	2.9
359.12280	16.2
360.13043	2.7
363.08624	4.2
373.07132	5.2
373.18655	11.8
377.13458	8.5
391.08002	25.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1498
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55538	0.8
55.01865	2.2
55.05504	2.4
57.03428	2.1
57.07059	1.7
61.02916	2.5
67.05505	7.5
69.03400	2.7
69.60829	0.8
70.06579	2.8
71.04978	2.4
71.08606	1.2
71.73034	1.3
72.08134	3.1
73.02888	1.3
78.97021	0.9
79.05482	2.4
81.03408	3.3
81.07040	3.5
83.04974	1.2
83.08591	1.1
84.08126	2.5
85.02888	3.7
85.06490	1.0
86.09690	2.8
91.05467	1.9
93.07019	2.8
94.06586	1.4
95.04973	1.5
95.08569	3.1
97.02882	2.8
99.04459	2.5
103.03936	1.0
105.07018	2.2
107.08578	2.2
108.04462	1.7
108.08105	2.3
109.02836	1.7
109.10152	8.9
111.04432	1.3
119.08543	2.3
120.04438	1.7
120.08106	1.6
121.02867	2.9
121.06441	1.0
121.10078	1.2
125.09555	1.3
127.03878	1.3
130.06529	8.8
131.04933	1.1
132.04405	2.8
133.06474	2.5
135.11703	1.3
137.02371	1.5
137.05925	2.3
146.05992	2.3
147.11687	1.5
148.07538	2.5
149.02330	10.4
157.07579	1.4
158.05974	1.3
161.05986	1.3
165.12749	1.9
166.04999	2.1
168.06555	1.6
173.11745	4.6
174.05428	1.4
182.09767	1.0
189.10226	2.0
190.85757	0.9
192.24821	0.9
196.09911	1.2
197.06978	1.1
197.10742	2.7
199.08624	3.8
201.05515	1.1
201.10040	1.3
202.08546	1.3
211.08640	14.0
211.12086	1.7
212.09373	3.9
213.10173	5.1
221.10716	2.6
222.09103	2.1
223.08662	1.0
223.21698	1.6
224.09274	2.4
225.06836	4.7
225.10197	26.1
226.10840	3.0
227.11731	3.6
228.10252	1.1
229.04982	2.2
229.09685	3.6
229.14363	6.0
230.11929	2.0
237.10246	1.9
239.08171	2.5
239.11761	20.8
240.08830	2.7
240.12263	1.5
241.09679	6.0
241.13338	2.2
243.07552	5.4
243.11276	1.3
244.12144	1.2
245.12862	24.0
249.10170	2.2
250.08589	1.4
251.08174	1.2
251.11801	1.4
252.08714	4.7
253.09723	14.5
254.10371	3.0
255.11256	3.7
257.04346	1.5
257.09207	1.3
257.12830	9.0
258.10126	1.0
259.10858	1.1
260.10233	1.1
267.08246	1.6
267.11264	32.8
268.12003	3.8
269.12915	3.4
273.12350	2.0
278.77597	1.0
279.11249	2.0
280.08200	1.4
281.09232	1.5
283.10672	3.4
284.11316	2.5
285.09198	1.5
285.12326	12.7
295.10742	17.8
296.11191	1.6
297.12292	3.8
301.11725	5.6
307.05902	1.7
313.11804	100.0
314.12222	3.8
315.13348	3.0
320.06799	1.1
321.07489	1.2
323.10214	1.9
331.12869	22.1
335.09064	1.5
341.11197	11.5
345.07584	1.4
349.07047	1.1
355.12927	1.5
359.12341	29.9
362.07870	1.2
363.08542	4.2
373.13913	91.9
374.14206	3.9
391.08020	19.2
391.14874	14.0
391.19330	1.4
392.08524	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	391.1494
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16089	0.8
54.66739	0.7
55.01871	1.9
55.05489	0.8
59.75147	0.8
61.02896	1.1
65.15865	0.8
67.05492	2.6
69.03419	1.9
69.07044	1.5
70.06563	2.2
72.08147	3.4
73.02927	0.8
79.05482	1.1
81.03407	1.7
81.07035	2.9
83.08567	0.9
84.04498	0.8
84.08138	1.8
85.02899	2.4
86.09670	1.1
91.05462	1.5
93.06997	1.1
94.06564	1.5
95.08589	0.9
97.02853	1.4
97.06485	0.8
99.04405	0.8
103.05425	0.9
105.07011	2.5
107.04897	1.1
107.08593	1.2
108.04511	0.8
108.08090	1.6
109.02884	1.7
109.10121	2.3
119.04899	1.1
119.08561	0.9
120.08075	0.9
121.02850	3.4
123.11597	0.8
125.09554	1.1
127.03893	1.7
130.05009	0.9
130.06517	2.5
132.04422	1.0
133.06429	1.1
137.05980	1.8
138.05438	2.5
138.09119	1.1
146.05971	1.9
148.07545	1.9
149.02301	7.8
161.10686	0.9
166.04967	1.3
173.11720	1.1
174.09160	1.0
181.08807	1.0
189.01866	1.3
189.10255	1.7
194.09566	0.9
196.07506	0.8
197.07091	1.7
197.10748	3.1
198.07784	1.3
199.08679	4.5
202.08733	1.4
206.08061	1.0
211.08685	11.9
211.12148	1.6
212.09312	3.5
213.10208	5.2
221.10693	0.9
222.09131	2.8
223.12206	0.9
224.09152	1.7
224.10989	1.8
225.06850	4.7
225.10208	27.6
226.10930	3.5
227.11809	2.5
228.10246	1.2
229.09671	2.4
229.14308	1.9
237.10217	1.3
239.08066	3.0
239.11755	17.7
240.08826	2.0
240.12347	1.5
241.09689	4.5
241.13368	2.3
243.07692	3.3
244.11926	1.0
245.12810	19.5
249.10263	1.0
250.08586	1.3
251.08090	1.3
252.08849	2.8
253.09679	12.9
254.10468	2.9
255.11230	3.8
256.11929	1.0
257.04657	0.9
257.10022	1.1
257.12756	8.1
267.08087	1.3
267.11240	29.2
268.12048	3.1
269.12769	3.2
271.10760	1.2
273.12222	1.7
283.10629	2.7
284.11465	2.4
285.08801	1.9
285.12265	14.0
295.10709	16.7
297.12231	2.2
299.10330	1.1
301.11743	6.1
303.13281	0.9
307.06003	2.0
313.11783	100.0
314.12143	3.6
315.13309	2.4
315.19232	0.9
321.07428	1.2
323.10135	2.6
331.12845	23.7
332.13217	1.4
335.09003	1.5
341.11337	11.7
342.11511	1.0
345.07492	1.5
359.12335	36.3
360.12457	2.0
363.08487	2.7
364.08862	1.1
373.13907	34.1
374.14392	1.2
377.13428	1.4
391.03561	1.6
391.08017	18.0
391.14893	20.6
391.19299	3.6
392.08212	2.4
392.14771	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.2634
Annotation	Daphnioldhanin A
Peak:m/z	Relative Intensity
52.02553	0.4
53.03936	0.7
55.05507	5.3
56.02155	0.4
57.07055	0.5
62.00698	0.4
65.03928	0.9
67.05505	7.0
68.05019	3.1
69.03429	0.6
69.07064	4.4
70.06583	14.5
70.07380	0.5
71.04983	0.8
71.61547	0.4
71.74215	0.6
72.08143	3.8
73.18699	0.4
79.05489	9.0
80.05028	0.5
81.03397	0.8
81.07041	5.4
82.06567	0.5
83.04990	0.5
83.08603	1.4
84.08140	0.6
91.05469	8.9
93.07030	10.0
94.06556	0.7
95.04966	0.9
95.08596	5.4
96.08108	1.3
97.06521	1.0
97.10154	0.8
98.09660	0.6
99.04397	0.5
99.09209	1.3
100.07608	23.6
103.05473	0.9
105.06338	0.8
105.07018	12.5
106.06522	1.9
107.08586	6.6
108.08074	1.3
108.08881	0.6
109.06503	0.9
109.10140	2.0
110.09707	0.5
114.05518	5.3
115.05378	0.5
116.07087	0.7
117.06997	3.0
118.06502	0.6
119.08564	8.8
120.08097	0.9
121.10133	4.5
123.11643	0.7
124.72942	0.4
128.07059	17.6
129.07007	1.0
130.06540	0.6
131.08542	5.5
132.08061	0.8
133.10110	36.8
134.09584	0.9
134.10486	1.2
135.11661	1.9
140.07019	0.8
143.08554	0.9
145.10085	2.3
146.09593	1.9
147.10497	0.6
147.11646	1.8
148.11208	1.9
149.02316	1.7
149.09531	0.5
149.13251	0.7
152.07045	1.5
153.21471	0.4
154.08591	1.4
157.10098	1.0
158.09616	0.5
159.10507	0.6
159.11627	2.5
160.11189	1.3
162.12775	0.9
164.07039	2.4
165.07797	1.4
169.10223	0.6
171.11676	0.9
172.11252	1.4
173.09613	0.7
173.11873	0.6
173.13272	0.6
174.12759	2.0
178.08630	0.9
181.10204	0.4
183.11699	1.1
185.13263	0.5
186.12755	0.6
188.14328	3.4
190.08748	0.5
192.10149	8.4
202.15862	1.3
204.10168	1.4
206.11690	0.8
207.12619	0.7
218.11725	6.2
232.13301	2.2
233.14102	1.8
234.14929	0.8
239.17931	1.1
247.15732	0.4
257.19064	0.6
275.20096	1.8
277.18970	0.5
277.21683	2.1
292.22623	0.8
294.24582	0.5
302.17374	0.7
316.23016	0.5
320.18494	0.5
325.07532	0.5
339.63364	0.5
344.25809	3.0
363.30106	2.9
372.25400	9.7
390.26346	100.0
391.26700	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	391.0353
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77933	1.7
56.96557	10.0
58.99856	6.3
69.03412	4.4
70.98978	2.2
71.08598	2.8
75.48313	1.7
77.00890	6.1
81.03390	2.1
84.08105	2.5
90.07671	1.9
90.57460	1.7
90.88753	1.8
95.39149	1.9
97.02883	2.7
101.00848	9.8
103.02423	7.2
115.02429	4.8
116.08279	1.8
117.03982	21.1
119.01911	61.1
119.03706	5.5
120.01975	3.0
121.01658	2.2
121.03443	7.6
121.17963	1.9
124.48506	1.8
127.02378	9.2
129.03949	5.3
131.01871	7.1
133.03418	6.0
135.05020	25.4
137.02948	18.6
137.04739	6.1
143.01842	11.3
145.03452	100.0
146.03545	2.7
147.01363	6.2
147.03214	6.7
147.04979	5.5
149.02280	33.2
155.01877	8.4
159.04988	5.2
161.02969	18.0
163.04517	49.1
164.04587	2.8
165.02388	2.2
165.04242	3.3
167.03407	2.3
168.05058	5.6
169.03432	13.6
169.07077	2.2
171.01382	12.0
171.05011	13.7
173.01378	3.4
173.02954	13.4
173.06635	4.1
175.00899	5.6
177.07925	2.2
183.05011	2.7
185.02835	2.3
185.06549	4.6
187.00763	2.3
187.04520	25.8
187.06210	4.3
189.02455	22.4
189.06033	6.7
191.02246	4.8
191.03931	2.9
193.01901	2.3
195.05061	5.1
197.02853	3.6
197.06549	9.1
199.00786	7.6
199.04457	3.9
201.06013	4.0
201.22194	2.0
203.04042	2.2
207.03426	8.8
209.02869	2.3
210.06247	2.5
211.04482	8.1
213.02472	3.7
213.06029	7.1
215.03970	8.8
215.07629	4.5
217.01927	22.8
223.04555	5.8
225.02505	5.7
227.04070	3.0
229.05550	2.6
231.03476	5.9
239.04005	5.1
241.05586	4.7
243.03465	20.2
251.02457	9.5
252.96935	2.3
255.03560	4.0
257.05151	3.3
259.02780	3.1
261.04468	7.2
266.05255	4.5
269.01575	4.1
275.02472	7.0
277.04077	2.4
283.02948	2.4
285.04593	4.6
287.02426	5.9
305.03406	3.6
331.01428	7.9
349.02518	4.0
373.02258	4.4
391.03424	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.1755
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30104	1.5
53.03938	2.7
55.01861	2.2
55.05514	2.9
56.05027	2.3
57.03432	3.9
58.99566	1.7
60.04527	1.4
60.48886	1.4
61.02920	2.0
61.94324	1.6
62.96589	1.7
63.67870	1.5
68.05000	1.7
69.03420	7.5
69.07051	1.8
70.06590	17.4
71.05008	3.2
71.74731	2.8
72.08160	10.1
73.02905	3.7
79.05479	5.0
81.03394	4.3
81.07053	8.2
83.04991	1.7
84.04496	12.4
84.08128	9.1
85.02908	19.1
85.06541	1.7
86.09702	19.8
87.04452	3.3
88.03986	2.0
91.05469	15.5
91.74519	1.6
92.05805	5.0
93.07021	3.1
93.65956	1.4
95.04964	4.6
95.08585	3.1
96.08089	2.6
97.02918	9.3
98.09722	2.0
99.04421	2.3
100.87401	1.6
103.05461	3.2
105.07008	6.3
107.04948	100.0
107.08596	2.0
109.02869	2.3
110.07159	3.3
114.05527	2.7
116.01673	3.8
116.07113	2.3
117.02054	1.8
117.06973	1.7
118.01241	2.7
119.04904	1.9
119.08580	4.6
120.08101	3.9
121.02903	3.6
121.06432	2.1
124.07589	11.8
125.05988	2.3
127.03904	3.9
129.07004	1.9
129.10251	3.5
130.05014	4.0
130.06570	2.1
131.04933	5.4
132.50957	1.5
133.06482	65.8
135.08089	2.9
137.05917	2.4
142.04959	3.3
145.04906	2.1
147.04417	3.8
147.08040	28.8
149.02318	2.8
151.04547	1.7
156.10133	1.9
162.02173	2.1
163.07619	2.3
163.11261	1.8
164.05334	2.8
164.07874	1.8
167.07027	2.8
171.08067	1.8
175.07532	50.1
182.06342	15.4
182.07936	2.4
188.01932	1.7
188.07130	2.8
193.04977	6.2
193.08592	38.5
210.05861	5.3
210.11288	7.8
211.09688	15.0
211.11508	2.9
227.56747	1.7
228.06836	25.7
228.08911	3.2
228.12428	2.1
229.07016	1.9
266.13855	2.3
266.34457	2.1
292.06815	2.2
310.75552	1.9
324.09521	1.7
390.07236	2.0
390.18344	34.8
391.08197	12.3
391.13031	2.4
391.19366	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	390.1755
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30104	1.5
53.03938	2.7
55.01861	2.2
55.05514	2.9
56.05027	2.3
57.03432	3.9
58.99566	1.7
60.04527	1.4
60.48886	1.4
61.02920	2.0
61.94324	1.6
62.96589	1.7
63.67870	1.5
68.05000	1.7
69.03420	7.5
69.07051	1.8
70.06590	17.4
71.05008	3.2
71.74731	2.8
72.08160	10.1
73.02905	3.7
79.05479	5.0
81.03394	4.3
81.07053	8.2
83.04991	1.7
84.04496	12.4
84.08128	9.1
85.02908	19.1
85.06541	1.7
86.09702	19.8
87.04452	3.3
88.03986	2.0
91.05469	15.5
91.74519	1.6
92.05805	5.0
93.07021	3.1
93.65956	1.4
95.04964	4.6
95.08585	3.1
96.08089	2.6
97.02918	9.3
98.09722	2.0
99.04421	2.3
100.87401	1.6
103.05461	3.2
105.07008	6.3
107.04948	100.0
107.08596	2.0
109.02869	2.3
110.07159	3.3
114.05527	2.7
116.01673	3.8
116.07113	2.3
117.02054	1.8
117.06973	1.7
118.01241	2.7
119.04904	1.9
119.08580	4.6
120.08101	3.9
121.02903	3.6
121.06432	2.1
124.07589	11.8
125.05988	2.3
127.03904	3.9
129.07004	1.9
129.10251	3.5
130.05014	4.0
130.06570	2.1
131.04933	5.4
132.50957	1.5
133.06482	65.8
135.08089	2.9
137.05917	2.4
142.04959	3.3
145.04906	2.1
147.04417	3.8
147.08040	28.8
149.02318	2.8
151.04547	1.7
156.10133	1.9
162.02173	2.1
163.07619	2.3
163.11261	1.8
164.05334	2.8
164.07874	1.8
167.07027	2.8
171.08067	1.8
175.07532	50.1
182.06342	15.4
182.07936	2.4
188.01932	1.7
188.07130	2.8
193.04977	6.2
193.08592	38.5
210.05861	5.3
210.11288	7.8
211.09688	15.0
211.11508	2.9
227.56747	1.7
228.06836	25.7
228.08911	3.2
228.12428	2.1
229.07016	1.9
266.13855	2.3
266.34457	2.1
292.06815	2.2
310.75552	1.9
324.09521	1.7
390.07236	2.0
390.18344	34.8
391.08197	12.3
391.13031	2.4
391.19366	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	390.1388
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.8
55.01867	4.2
55.79720	1.2
57.03442	2.4
60.04515	5.8
61.02911	3.5
65.03938	2.5
67.05513	1.8
68.99752	2.4
69.03421	19.9
69.87904	8.8
70.06583	6.2
71.04995	2.8
72.08145	2.2
73.02903	4.3
79.05484	6.2
81.03404	12.6
84.04505	1.5
84.08135	6.2
84.39317	1.4
85.02901	43.2
86.09695	6.0
87.00821	20.7
90.20871	1.6
91.05473	100.0
92.05800	3.3
95.04960	4.6
96.05270	1.5
97.02886	14.8
99.04440	4.6
105.01857	28.7
105.07032	2.5
106.06558	4.0
107.04943	89.7
108.05211	1.8
109.02856	12.3
110.07136	2.1
120.08073	2.6
121.06519	2.4
124.05206	1.7
127.03906	27.3
129.01860	2.0
129.06946	2.4
129.10234	2.9
143.03374	1.6
145.04959	11.7
145.06256	2.2
149.05965	2.6
153.00435	1.4
157.00111	1.6
159.02849	7.1
161.06068	1.8
187.07607	2.6
189.03891	2.2
198.09796	1.5
199.07645	1.6
231.05061	9.7
307.05997	1.9
391.08218	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	390.139
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56730	1.3
52.67884	1.2
53.03931	8.4
55.01864	11.9
56.05035	1.8
56.98823	1.5
57.03427	8.0
60.04528	9.1
61.02905	6.3
68.99773	4.5
69.03420	30.9
70.06593	14.3
71.04977	6.5
71.74959	2.9
72.08138	5.1
73.02905	8.2
79.05486	7.2
79.91305	1.6
81.03408	29.9
84.04493	4.2
84.08131	6.6
85.02898	100.0
86.09705	11.2
87.00823	36.0
87.09997	1.6
91.03943	2.3
91.05450	3.2
93.07011	2.3
97.02883	38.5
99.03991	1.3
99.04463	14.6
103.05419	2.1
105.01858	37.7
106.06563	7.0
107.04955	3.9
107.08562	1.7
108.04466	6.5
109.02867	27.6
110.07151	4.3
115.03970	1.9
117.01823	3.3
120.08069	5.0
123.04401	1.9
126.05494	5.1
127.03905	70.4
129.01825	3.5
129.10236	2.3
130.06531	3.5
132.01128	1.9
137.05975	2.4
145.04953	39.8
147.02863	4.6
148.07552	1.6
149.05989	3.0
159.02888	25.5
161.05983	1.9
164.05391	2.1
167.07010	2.0
177.03876	1.5
189.03951	3.1
191.07019	3.5
204.06538	2.9
210.05792	10.5
213.03815	1.5
231.04936	14.5
233.08238	2.4
234.99060	2.2
238.05305	6.4
245.11844	2.5
248.07762	1.7
249.06088	2.5
345.25006	1.9
390.26575	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	390.1002
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	1.2
56.05029	0.9
56.79822	0.8
57.03412	0.7
58.99574	7.9
60.04522	4.0
68.04982	0.7
69.03401	2.1
69.07042	1.0
70.02940	2.6
70.06591	6.5
71.75762	1.1
72.08136	3.2
76.02228	6.1
79.05485	34.5
81.03392	2.2
84.04499	1.3
84.08130	3.8
85.02909	5.1
86.00638	8.6
86.09696	12.7
86.99048	6.8
87.00819	1.7
87.10028	2.3
88.03986	9.8
91.05475	6.9
93.07088	0.8
95.04919	2.3
97.02863	2.1
103.05428	4.0
104.01674	1.2
105.00077	4.6
105.01836	2.3
105.03379	1.2
105.07004	0.9
106.06545	67.1
107.04222	1.5
107.04945	24.8
109.02856	2.7
110.07115	1.7
114.00077	1.4
115.05463	1.1
117.05779	3.8
118.06531	14.8
120.08086	8.5
121.01074	7.6
121.06504	4.3
122.02698	1.7
126.05562	1.0
127.03887	5.7
129.10248	1.6
130.06523	21.8
131.07329	0.8
132.01138	21.8
132.08095	5.4
134.05983	3.1
135.04413	1.2
136.07495	0.9
137.05997	0.9
145.04965	2.3
146.05975	6.3
147.02672	2.8
148.02144	1.2
148.07596	6.8
149.04170	1.6
158.06033	1.2
159.02824	1.4
161.95529	0.8
164.05283	26.3
165.06946	0.9
167.07130	1.2
167.08548	11.8
173.12906	1.4
174.03717	6.0
176.07057	11.9
178.01639	0.8
179.08556	0.9
192.04747	5.6
194.09647	3.3
195.08084	2.3
204.06543	23.9
206.09612	2.2
208.04260	1.0
210.05821	100.0
211.06207	2.0
220.04297	5.9
222.07491	15.8
222.09064	1.8
223.07294	1.3
238.05305	66.7
239.05727	1.4
256.06284	3.9
280.07980	7.6
320.92871	0.8
326.08398	4.9
344.09357	1.5
354.07816	1.4
354.26126	1.1
372.08688	1.2
397.81708	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2684
Annotation	7alpha-Hydroxy-3-oxochol-4-en-24-oic acid
Peak:m/z	Relative Intensity
50.04154	5.0
53.03955	5.7
55.05502	22.2
55.14214	5.8
57.03436	9.9
57.07073	13.4
67.05502	28.6
69.03425	6.7
69.07050	16.2
71.04996	56.5
71.20641	12.8
75.95875	4.1
79.05492	26.2
81.03423	15.7
81.07043	33.4
83.04982	9.5
83.08617	5.5
85.06528	5.1
91.05468	42.0
93.07043	25.3
94.62364	4.9
95.04945	10.4
95.08606	26.9
95.09150	4.6
105.07024	42.4
107.04932	10.3
107.08585	20.3
109.06512	9.8
109.10121	9.7
115.05464	6.6
116.06277	5.9
117.07014	26.9
119.08594	18.8
121.10159	6.2
123.08047	11.4
123.11773	5.1
123.20074	5.0
125.09648	6.6
129.06999	10.5
131.08568	24.7
133.06503	8.8
133.10126	14.7
135.11736	8.3
143.08606	15.1
145.06424	13.7
145.10147	12.1
147.08046	12.1
147.11734	9.5
153.05496	6.3
157.10068	11.2
159.08078	7.9
159.11688	15.4
161.09601	10.3
163.11256	5.5
165.05499	16.2
169.10095	5.3
171.11682	5.6
173.09552	8.5
175.11211	9.2
177.12769	7.2
179.07051	17.9
187.11160	11.9
189.12846	5.3
189.16394	4.7
193.04941	4.3
208.97324	5.2
283.20554	9.5
285.18478	16.9
287.16348	45.7
297.22180	5.9
301.21609	29.2
303.19412	17.2
305.17633	13.5
343.26300	10.1
353.24777	24.3
371.25781	100.0
388.72717	4.9
389.27014	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	389.2167
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	23.1
55.05509	16.4
55.67805	9.6
56.78678	8.0
56.96568	8.7
67.05504	47.3
67.52861	8.6
69.03423	11.0
70.00426	43.4
70.06566	16.8
71.04994	24.2
73.93661	7.3
79.05491	36.0
81.03412	23.3
81.07059	68.8
82.06609	7.9
84.08129	22.0
85.02894	8.4
85.06567	9.8
86.09685	12.6
91.05482	56.9
93.07039	37.2
95.08616	43.4
97.02873	17.1
97.06545	12.2
103.05461	17.0
105.07024	24.9
107.08585	25.7
109.02869	22.6
109.10152	16.6
113.50445	9.0
117.07002	14.1
119.08563	21.1
120.08107	11.6
121.06478	8.3
121.10139	18.1
123.04458	14.6
123.11698	14.6
127.03890	21.1
131.04895	18.2
131.08537	12.4
133.10115	21.8
135.11719	12.0
137.06003	52.9
141.59207	7.8
147.11668	19.3
151.03867	8.8
151.11121	8.1
151.81741	8.0
157.06499	11.2
159.04477	8.6
162.91516	8.4
163.07512	13.5
167.07031	100.0
168.07509	9.8
171.06490	8.7
175.07698	11.7
177.05478	36.6
179.06931	10.2
181.04977	63.5
183.06519	7.9
183.13844	8.6
187.13194	10.3
189.09108	15.0
195.13776	15.1
203.17920	19.4
209.08073	34.2
213.16466	8.8
219.10101	11.0
249.09030	10.3
277.08481	8.9
281.17917	8.4
339.12036	19.2
371.14807	9.7
389.15359	29.3
389.24734	11.7
390.16345	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	389.2682
Annotation	7alpha-Hydroxy-3-oxochol-4-en-24-oic acid
Peak:m/z	Relative Intensity
53.03936	1.3
54.01049	0.5
55.01865	1.7
55.05507	12.0
55.44012	0.5
57.03432	0.6
57.07053	0.7
59.04961	0.5
62.75766	0.6
65.03935	1.6
67.05502	21.7
68.05801	0.6
69.03418	0.6
69.07060	10.5
70.97807	1.5
71.04980	2.5
71.56174	0.5
73.06550	1.3
75.70047	0.6
79.05487	19.7
81.07053	24.3
83.04983	2.3
83.08633	4.1
85.02892	0.8
85.06521	1.5
87.04479	0.5
91.05474	41.9
92.05788	1.3
93.07040	18.7
95.04980	3.1
95.08601	15.1
97.06539	2.3
97.10162	2.1
99.08062	0.7
100.76879	0.6
103.05442	2.4
103.38282	0.6
105.07022	45.8
106.07349	1.4
107.04951	1.0
107.08582	9.0
109.06506	3.1
109.10139	4.0
111.08080	1.2
115.05439	1.3
116.06260	0.7
117.06172	0.7
117.07013	16.1
119.08572	28.6
121.06486	2.3
121.10131	6.5
123.06480	0.5
123.08050	1.6
123.11703	0.9
125.09632	0.7
127.47329	0.6
128.06232	2.0
129.06985	9.3
130.07788	0.8
131.08554	26.4
132.09264	0.5
133.06480	2.3
133.10120	15.0
135.08064	2.4
135.11688	1.9
137.09592	1.1
141.06970	3.5
143.08549	8.8
145.06493	1.3
145.10110	16.3
147.08008	2.6
147.11696	3.4
149.09592	2.1
151.11191	0.6
153.09074	0.6
155.08562	5.7
156.09015	0.6
157.10103	6.0
159.08061	1.0
159.11679	6.1
161.09627	0.9
161.13275	1.0
163.11232	1.0
167.08574	2.0
169.10120	4.6
171.11713	4.5
173.09584	0.8
173.13245	2.1
181.10127	3.1
183.11668	2.6
185.09485	0.7
185.13283	2.9
187.11205	1.2
187.14839	2.0
195.11729	2.0
196.12122	0.7
197.13297	3.4
199.11047	0.8
199.14806	1.9
201.12721	0.9
205.12169	0.7
207.11804	0.7
209.13225	2.6
211.14821	2.5
213.12741	1.3
215.14240	0.8
219.13841	1.0
219.17529	1.2
223.14757	1.7
225.16347	1.3
227.14360	1.3
229.15865	1.2
233.15411	3.9
235.16983	0.8
237.16335	0.8
241.15923	1.0
243.17456	0.7
245.15422	0.9
247.16910	4.5
255.17358	0.7
257.19278	0.7
259.16940	2.2
261.18524	3.4
269.18909	0.8
273.18488	1.6
275.20117	1.3
287.19824	0.9
325.25241	2.4
334.82239	0.6
335.23611	5.2
343.26352	5.0
353.24716	15.0
354.24991	1.5
368.46609	0.7
371.25790	28.3
372.26025	3.3
389.26843	100.0
390.27170	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	389.1803
Annotation	Tuberonic acid glucoside
Peak:m/z	Relative Intensity
52.56237	2.4
53.03937	4.6
55.01858	7.2
55.05510	6.9
57.03434	2.9
58.09336	2.4
60.04524	5.9
67.05502	24.5
69.03416	5.2
69.07053	5.8
70.06593	9.0
71.04987	7.4
71.75725	2.6
72.08149	3.0
79.05482	20.2
80.69215	2.5
81.03416	11.1
81.07048	39.6
83.01313	3.1
83.04985	3.7
84.04481	3.0
84.08143	8.6
85.02911	8.5
86.09708	6.0
87.57696	2.1
91.05480	19.4
93.07037	34.3
93.07575	3.3
95.04988	5.7
95.08591	16.6
97.02901	3.3
97.06521	5.4
99.04452	24.0
103.05472	9.7
105.01802	2.7
105.07025	49.2
106.07271	2.9
107.04975	2.5
107.08593	34.7
109.02877	6.9
109.06507	5.4
109.10148	3.0
110.07140	2.5
111.04468	3.8
111.08030	3.8
117.06987	5.7
119.04935	4.6
119.08558	25.3
119.63209	2.3
120.08115	4.5
121.06487	25.3
121.09273	3.8
121.10136	54.4
123.08036	4.3
123.11704	8.9
127.03916	5.4
129.07005	3.0
129.26495	2.3
130.07777	4.0
131.04922	15.2
131.08571	5.2
133.06544	2.8
135.08026	14.5
135.11678	10.1
136.40433	2.4
137.05992	12.4
137.06892	2.2
137.13339	2.9
139.07524	2.6
145.10117	44.6
147.11655	17.7
149.05992	6.1
149.09641	12.6
153.05429	2.5
161.05983	3.2
163.07555	9.9
163.11172	81.3
165.12735	7.7
167.07053	8.9
170.15773	2.6
173.09589	11.7
175.07552	6.6
177.05453	3.3
181.04883	4.9
181.12238	26.3
191.06973	3.2
191.10658	100.0
192.10942	3.0
193.05087	2.7
204.31436	2.5
209.08223	4.0
209.11710	23.7
227.12761	38.2
239.86543	2.6
329.10944	2.4
353.15988	10.5
371.17023	6.3
389.13489	5.8
389.30365	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	389.1814
Annotation	Tuberonic acid glucoside
Peak:m/z	Relative Intensity
50.45876	1.4
53.03947	11.7
55.01865	7.8
55.05510	12.5
57.03419	6.6
58.99572	3.6
67.05505	13.9
69.03423	11.1
69.07061	14.4
69.72827	13.8
70.06577	5.8
71.04993	16.8
72.08148	8.1
73.03750	1.6
76.02225	18.9
79.05482	22.8
81.03410	57.0
81.07053	50.5
83.04962	9.9
83.08605	4.5
84.04514	2.7
84.08131	6.2
85.02889	3.3
85.06554	8.2
86.09706	25.1
91.05471	17.8
93.06439	3.0
93.07039	60.1
95.04964	11.0
95.08603	9.4
97.06537	12.0
99.04456	42.3
101.06044	2.1
103.05436	2.5
105.07024	38.2
107.04961	2.6
107.08595	49.6
109.02874	26.5
109.06516	15.3
109.10151	2.2
111.08047	8.4
112.11937	1.8
113.05973	2.4
116.01662	6.4
117.06998	6.3
119.08582	23.4
121.06496	25.6
121.10134	67.1
123.08043	6.5
125.06004	1.8
127.03883	6.2
127.07529	8.5
128.07097	2.3
129.07211	2.0
130.07735	3.0
131.08540	7.9
133.10114	2.9
135.08069	13.2
135.11693	15.5
139.07515	4.5
139.11201	3.0
143.08501	1.7
143.11780	2.3
144.01170	4.1
145.04922	3.9
145.10120	47.5
147.11676	8.2
149.05989	2.3
149.09619	21.7
151.07567	5.6
157.10023	2.0
162.02193	12.4
163.11171	100.0
167.07080	2.5
167.10675	27.6
169.08603	26.2
173.09627	9.9
173.12968	2.6
175.11218	2.6
178.21767	1.7
179.04843	20.2
181.12215	27.3
185.11740	7.3
191.10660	79.2
193.12274	12.4
199.08578	2.0
209.11739	36.5
211.13293	20.3
227.12773	49.0
266.08279	2.3
293.09222	3.2
294.07883	2.5
297.08661	3.8
339.09561	2.1
353.16013	5.1
354.09747	2.2
371.16852	13.4
389.13782	3.4
389.17856	24.3
389.35675	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	389.18
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	12.1
55.01862	13.7
55.05507	8.3
57.03431	7.8
65.03931	2.0
66.10314	1.6
67.05495	12.6
69.03419	12.1
69.07063	18.3
69.96955	9.5
70.06566	5.2
71.04984	27.1
72.08132	4.3
76.74503	1.4
79.05489	28.2
81.03413	53.8
81.07046	49.8
83.04969	5.5
84.08130	3.9
85.02904	7.7
85.06526	4.9
86.09693	10.8
87.76516	1.4
91.05469	18.5
93.07035	71.8
93.21629	1.7
95.04960	8.9
95.08588	13.2
97.06519	14.1
98.20760	2.8
99.04448	55.1
103.05443	5.2
105.07016	43.2
107.04927	4.3
107.08578	65.7
109.02858	34.7
109.06512	17.5
109.10150	3.2
111.04463	2.0
111.08085	7.8
113.05991	4.6
115.05520	2.2
117.06959	7.1
119.08567	17.0
121.06499	27.2
121.09254	3.3
121.10132	65.2
123.08035	5.4
123.11687	2.8
127.03909	9.2
127.07547	10.2
129.07053	2.0
129.10190	1.6
130.07770	2.0
130.90570	1.5
131.04878	4.3
131.08557	5.4
133.06409	2.1
133.10162	2.9
135.08051	11.2
135.11674	19.6
137.05949	4.1
137.09583	2.2
139.07481	2.9
139.11159	5.2
142.06841	2.3
143.08525	2.8
145.04961	6.0
145.06290	1.3
145.10110	42.2
147.11659	8.2
149.06017	1.9
149.09587	21.7
151.07523	5.8
153.09099	1.7
155.08516	2.4
155.87811	1.5
161.09584	1.9
163.11169	100.0
164.11525	2.6
167.07034	4.3
167.09245	2.1
167.10661	36.6
169.08586	49.7
173.09596	9.0
173.12906	1.8
177.05473	4.0
181.04890	9.1
181.12209	30.0
185.11723	9.0
189.90305	1.6
191.10645	68.6
192.10980	2.8
206.94257	1.6
209.08087	3.6
209.11708	34.6
227.12752	44.4
227.16229	2.0
237.10260	1.7
241.09431	1.6
265.09726	4.4
293.09232	4.1
311.10175	3.8
313.13199	2.1
329.11441	2.1
339.09836	3.2
353.15701	3.6
371.12457	3.4
371.16837	7.1
389.13461	3.8
389.18121	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	389.1592
Annotation	Dihydrosinapyl ferulate
Peak:m/z	Relative Intensity
53.03937	1.9
55.01868	36.7
63.14896	0.8
65.03937	9.6
67.05513	5.7
69.03419	1.0
69.81773	4.0
69.82185	1.6
70.06551	1.0
71.04971	1.1
79.05482	5.4
81.03424	1.5
81.07044	3.7
82.04192	3.4
84.08131	1.3
85.02902	5.7
85.81200	0.9
91.05479	3.8
93.03403	2.4
93.07022	1.7
94.04173	1.7
95.04983	5.2
97.02871	1.5
97.06519	3.7
98.20656	0.9
103.05452	16.1
105.07016	1.6
107.04944	7.4
108.02097	2.2
109.06462	1.1
110.03655	4.6
111.04442	2.2
115.05428	1.7
117.07011	2.7
119.08597	1.0
121.06517	5.9
122.03638	3.5
123.04413	3.9
124.05198	1.7
125.05989	3.5
128.06224	2.2
129.06999	9.3
131.04915	21.3
131.08575	1.2
133.06540	1.0
135.04396	1.2
137.05963	34.4
138.03110	3.5
139.03891	0.9
140.04642	1.3
142.02614	3.2
145.06479	4.5
147.04356	1.4
149.05974	12.1
151.03903	1.8
152.04692	2.0
153.05467	2.3
157.06470	8.3
159.04372	2.5
160.05183	3.6
161.05966	3.3
163.07559	9.3
165.05536	1.0
167.07036	26.1
169.06450	1.1
171.06517	10.6
173.06007	1.4
174.06757	4.5
175.07529	15.7
177.05461	39.2
177.08914	1.2
179.07054	0.9
181.04942	100.0
182.05348	3.7
183.06512	1.9
185.05891	1.3
187.07483	2.5
188.08304	1.1
189.09079	10.2
191.07065	2.5
199.07565	1.9
205.06674	1.1
205.08623	3.1
209.08066	66.8
210.08455	1.5
217.06665	1.5
217.08582	6.9
218.07234	1.7
219.08098	1.6
219.10130	2.2
221.07990	1.3
234.06660	2.2
235.07552	1.5
235.09683	2.2
247.07578	1.0
249.09097	3.5
261.09192	3.0
262.06296	1.5
265.08456	1.4
277.08539	9.3
278.09299	1.3
279.10052	1.9
281.11691	1.1
286.26468	0.9
293.11633	2.2
309.11133	3.3
311.12881	1.5
321.11197	1.5
326.16931	1.0
333.72598	1.0
339.12241	9.2
340.12973	1.4
341.13876	3.6
350.96448	1.1
353.13876	1.2
359.14874	3.7
371.14905	10.5
389.15930	48.7
390.16418	2.3
392.63098	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.0938
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	0.8
55.44408	0.4
57.03421	1.2
61.02916	0.3
65.13577	0.3
69.03418	1.2
70.06589	1.1
71.63905	0.5
72.08112	0.4
73.02902	0.8
81.03423	0.6
83.86456	0.4
84.04502	0.8
84.08127	2.0
85.02877	1.6
95.02499	0.4
97.02872	0.9
109.16875	0.4
110.03522	5.7
113.03439	0.5
115.03938	0.7
124.05048	0.7
128.04538	1.1
129.10210	1.0
130.04930	0.4
133.04961	1.1
136.01430	1.1
150.02945	0.8
152.04599	0.8
153.04065	47.4
154.02466	8.8
165.04080	1.6
166.02496	0.5
168.04031	4.9
183.05125	4.6
186.04994	0.7
193.03558	6.4
194.01953	0.7
195.05112	1.0
199.18156	0.4
211.04604	35.0
212.04915	0.5
237.02740	0.4
239.04086	24.8
240.04424	0.7
243.05043	0.7
257.05154	100.0
258.05481	1.8
260.07840	0.4
323.06323	1.0
357.28873	0.4
389.04871	0.5
389.09363	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1228
Annotation	Marionol
Peak:m/z	Relative Intensity
55.05490	2.5
67.05499	4.3
68.55650	0.9
69.07043	2.7
69.41546	1.0
71.04980	1.9
71.73280	1.4
79.05473	3.7
81.03400	0.9
81.07063	5.6
82.76421	1.0
83.08590	2.1
88.50359	1.0
90.71864	0.9
91.05473	8.7
93.07022	4.5
95.08585	3.5
105.07007	7.4
107.08594	1.9
109.06536	1.2
109.10147	1.3
113.02367	1.8
113.62731	0.9
117.06989	2.4
119.08571	5.0
121.10128	1.0
129.06953	1.2
130.69138	0.9
131.08571	5.1
133.10095	2.6
135.11658	1.0
143.08527	2.4
145.10075	2.2
148.05151	2.3
157.10080	1.1
159.11708	1.0
163.07527	6.7
165.05444	3.1
169.01341	10.4
193.13531	0.9
197.00729	7.7
215.01808	7.5
227.05452	1.2
244.07199	1.1
259.16977	1.4
260.06561	1.1
260.17252	1.3
269.10516	1.0
313.07288	1.6
315.04922	2.1
316.05783	5.4
327.08673	2.9
328.09332	2.3
331.08087	3.7
341.06543	24.3
343.04462	4.4
344.05185	2.5
353.24808	2.2
356.08841	2.9
359.07574	61.5
360.08075	2.3
364.25623	1.0
371.25775	3.0
373.09247	3.9
374.09921	6.0
389.12268	100.0
389.26889	14.3
390.12564	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	388.3055
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57561	10.8
55.01856	19.0
55.05490	34.5
56.96553	46.2
67.05510	100.0
69.07054	47.6
71.04991	66.5
71.75101	18.4
75.12283	13.9
79.05490	65.4
81.07052	98.7
83.08611	25.5
85.06526	12.2
87.04451	25.5
91.05463	39.9
93.07025	74.6
95.08594	41.3
97.06474	18.2
97.10160	32.5
105.07001	34.9
107.08595	62.4
109.10144	73.9
111.08126	14.1
117.06993	18.4
119.08544	19.2
121.10135	27.8
123.11708	13.6
125.09637	27.8
131.08557	28.5
133.10101	27.8
135.11658	25.8
137.13084	14.1
145.10083	22.6
147.11757	13.1
149.13264	12.8
159.11684	34.5
168.17436	17.1
173.11766	80.0
177.12698	17.1
199.06487	22.3
201.14806	73.0
217.07587	30.4
217.14389	17.7
245.10542	17.5
255.19556	35.8
262.82098	12.1
275.20004	27.6
283.08646	27.0
297.10269	18.9
301.09479	15.9
321.24371	13.0
347.14966	30.8
365.16473	71.2
371.25705	16.2
388.17786	20.9
388.34265	16.6
389.22919	45.9
389.27075	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	388.3054
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	32.5
63.00833	6.4
67.05487	57.9
67.73622	8.4
69.07044	21.3
71.04984	19.6
71.73161	9.5
76.83875	8.4
79.05470	38.0
81.03393	10.3
81.07045	82.7
83.08600	16.5
85.06502	8.2
87.04454	17.3
89.06027	7.8
91.05457	47.3
93.07049	36.4
94.07359	9.6
95.04957	14.1
95.08614	24.1
97.10143	13.7
105.07020	45.5
107.04933	7.0
107.08561	39.3
109.06502	27.1
109.10143	22.8
117.07001	26.2
119.08572	32.3
121.10156	18.5
125.09583	7.8
129.07072	11.6
131.08563	25.6
133.10141	16.1
135.11748	10.7
137.09621	7.4
137.60616	6.3
143.08540	10.7
145.10123	16.2
147.11694	13.0
149.09518	7.4
159.11714	22.7
161.13329	8.8
171.11664	8.5
173.11662	21.2
177.12695	12.6
201.14850	16.3
215.78699	7.7
248.58527	7.9
255.19691	12.0
259.17081	7.6
275.20047	19.4
284.29236	10.2
303.23370	9.3
316.66458	9.1
353.24609	14.2
370.24344	15.5
371.25769	17.7
388.25638	17.8
388.34140	14.0
389.26868	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.1597
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.3
55.01865	6.6
57.03434	5.5
61.02922	4.9
65.12969	0.5
68.99787	2.3
69.03425	29.9
70.06569	0.6
71.00089	1.4
71.00433	0.8
71.04984	4.3
73.02910	6.6
74.22469	0.6
81.03410	21.2
82.91139	0.6
83.01359	1.0
85.02899	100.0
86.03238	0.7
87.00821	36.5
87.04462	1.1
91.03938	1.2
95.63338	0.5
97.02885	29.6
99.04452	13.8
99.38837	0.6
102.06232	0.7
103.03968	0.9
105.01860	65.5
105.07025	10.6
108.04480	2.7
109.02868	25.6
115.03932	1.5
117.01824	2.3
126.05521	1.6
127.03906	68.3
128.04271	0.9
129.01840	2.7
136.76253	0.6
145.04947	34.9
147.02908	3.3
159.02881	14.2
171.02849	0.9
177.03957	0.9
180.03308	0.7
189.03972	4.3
213.03909	3.4
213.09077	1.9
222.37950	0.7
230.06635	1.0
231.04994	23.2
231.10123	1.0
232.05476	0.7
248.07658	1.6
249.06064	5.5
343.25241	0.7
388.15750	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.1598
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96026	0.8
53.03925	2.9
55.01864	2.4
55.05501	0.9
57.03436	6.1
57.03671	0.9
59.04995	1.6
60.04514	2.1
60.63155	0.9
61.02901	1.4
68.34827	1.2
69.03420	42.9
70.06587	3.5
70.11486	5.2
71.01339	2.3
71.04982	9.0
72.08136	2.0
72.49026	1.0
73.02910	1.5
81.03407	33.0
83.01321	3.9
84.04494	1.0
84.08112	1.8
85.02895	53.5
86.09698	2.7
87.00819	31.6
87.01361	1.5
87.04465	4.6
91.05470	1.1
95.04932	1.0
96.04429	1.0
97.02882	76.7
98.21358	1.4
99.04445	31.2
101.02367	2.1
105.01854	22.2
105.07043	8.0
109.02850	9.4
115.03912	3.1
119.94657	0.9
120.08023	1.4
127.03900	100.0
128.04213	1.3
131.04900	1.6
137.05998	1.6
145.04944	66.5
171.02869	2.6
178.61499	0.9
189.60754	1.0
213.03900	4.1
231.04976	55.5
232.05443	1.8
249.06033	23.9
266.08755	1.5
291.33728	0.9
383.88132	1.1
388.08926	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.2876
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	2.2
56.05030	47.2
57.07074	11.8
61.00846	1.9
61.01145	25.0
67.05475	3.4
69.07057	2.2
71.08623	7.8
71.75595	1.2
74.06048	2.3
79.05480	1.1
81.07036	3.6
83.08620	1.8
85.02908	1.6
85.10154	3.9
87.02671	3.9
95.08602	5.2
96.76582	0.9
97.10151	1.7
100.25149	0.9
102.05522	7.7
104.05316	80.8
105.03701	7.1
105.05676	1.0
109.10134	2.5
122.06356	3.0
133.03174	40.8
150.05826	100.0
151.39114	0.9
206.72488	1.1
235.48030	0.9
235.50502	0.9
264.27005	1.2
294.27786	2.8
324.32562	10.3
340.28430	14.6
388.32782	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.117
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	15.5
55.01866	48.1
56.05019	4.6
58.99575	8.5
60.49868	1.3
69.67630	4.4
69.68063	6.2
74.00633	3.6
76.02224	8.4
76.04005	7.0
81.03408	71.4
82.34184	1.2
83.04962	2.2
83.06097	2.3
84.04494	100.0
84.08117	2.2
85.04818	1.1
86.99059	10.0
88.02204	2.7
96.04456	2.6
97.01088	4.2
98.06026	5.1
102.00110	1.6
102.05543	1.5
109.07627	4.6
110.06006	2.0
111.02657	4.4
112.02132	2.2
112.03937	6.5
113.00572	17.8
114.03701	2.2
115.02123	1.4
116.01665	48.3
122.06004	1.3
125.00556	2.3
129.06587	3.2
129.10196	1.4
130.04984	47.9
131.93413	1.2
138.03694	5.1
139.02110	68.6
141.03671	1.8
142.03191	4.5
144.01134	26.0
145.06075	1.9
153.04057	5.1
153.06601	3.0
155.08124	7.1
155.36827	1.2
156.04768	43.9
156.06041	2.2
162.02187	79.7
167.01620	10.7
170.02675	1.5
177.03264	3.3
179.04796	5.0
184.04253	3.8
199.07056	2.9
211.04607	5.3
213.06754	1.9
222.05798	7.6
224.03671	1.6
231.04330	5.6
239.04074	3.5
241.06339	8.3
242.04799	70.7
245.06042	1.9
250.05334	8.0
257.05206	10.3
257.07547	2.3
259.07458	88.8
260.07959	2.6
267.07986	2.1
267.23468	1.4
297.31000	1.3
313.08484	33.0
325.08655	6.3
370.10757	2.3
371.09073	5.2
388.11691	21.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.1167
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10872	2.7
53.03942	15.3
55.01866	43.3
56.05027	5.7
58.99570	10.2
67.32948	2.5
70.02968	2.7
70.06576	9.1
71.74822	3.7
72.08131	4.8
72.23846	2.4
74.00652	4.1
76.02225	5.4
76.03996	7.1
81.03412	68.7
82.06536	2.4
83.06074	4.1
84.04497	100.0
84.08135	23.0
86.09689	5.9
86.99034	8.4
88.02187	3.8
93.55014	2.5
97.01085	2.8
98.06029	6.7
109.07642	4.9
111.02606	4.2
112.03959	5.4
113.00579	16.0
116.00938	3.7
116.01672	46.5
117.03964	5.4
119.01931	4.1
127.89764	2.4
129.06590	3.3
129.10220	12.2
130.04103	3.3
130.05005	46.4
135.04959	3.7
138.03702	4.8
139.02112	68.2
141.03615	3.0
142.03229	5.5
144.01138	26.8
145.03438	6.4
147.07599	3.2
155.08130	9.3
156.04749	44.5
162.02185	72.9
162.03542	4.6
163.04500	4.7
167.01614	8.5
177.03317	4.3
179.04848	4.5
184.04208	3.4
185.06369	2.8
186.91721	4.7
199.07123	3.1
222.05768	10.9
231.04318	4.4
241.06360	7.0
242.04790	70.6
250.05260	4.5
259.07471	81.5
313.08508	32.5
325.08426	6.1
371.09097	5.6
388.11859	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	388.1136
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12767	1.2
53.03937	1.3
55.01859	1.9
55.05488	2.3
55.43232	1.3
57.03420	1.3
58.99560	1.7
59.16261	1.1
61.42031	1.1
67.05485	2.0
68.05009	3.3
69.03407	3.9
69.07023	1.6
69.43784	12.2
70.06581	5.7
70.77748	1.1
71.04991	1.2
72.08118	2.1
79.05484	6.7
81.03399	3.6
81.07051	15.8
82.06548	2.3
84.04493	15.4
84.08163	1.3
85.02889	7.2
86.09668	1.8
86.83990	1.5
87.94443	1.2
91.05450	3.2
93.07017	1.6
94.06554	3.9
95.06078	2.5
95.08565	2.1
96.04457	1.3
98.06017	1.7
98.09696	1.2
98.21469	2.5
105.01801	1.3
105.06331	2.1
105.07020	37.6
107.08566	2.4
109.02874	1.5
114.05531	9.4
116.01657	3.4
116.54084	1.3
119.08526	2.6
121.10106	1.7
122.05967	1.7
123.08051	2.1
124.08410	1.2
124.11230	1.3
127.03927	2.2
130.04984	7.9
137.05980	2.9
138.06331	2.7
139.07504	1.3
139.66168	1.2
140.04962	3.7
140.06982	1.5
142.03177	4.3
142.04979	13.4
145.04939	1.8
145.10045	1.4
154.06422	3.0
155.06018	20.2
156.06580	2.3
163.11198	2.5
167.05911	6.1
168.06647	8.5
169.03893	1.4
169.07602	40.3
170.06035	1.7
178.38457	1.3
179.06024	13.4
180.06613	1.1
181.05031	1.5
181.07603	4.6
182.06075	2.9
182.08449	2.5
183.05544	17.9
183.09190	4.2
184.06210	1.5
185.07092	9.7
191.10542	2.2
193.07579	15.1
194.06055	1.9
195.05527	29.6
196.06267	15.5
197.07089	30.5
198.05412	7.4
199.05157	1.7
205.07423	1.4
207.05496	7.7
208.06238	2.6
208.14073	2.0
209.07056	3.7
209.11632	1.2
210.11246	29.0
211.05075	2.8
211.08630	6.1
213.06567	24.2
214.07045	1.3
221.07054	22.2
223.05000	3.2
225.06557	52.6
227.08145	1.4
229.06076	21.6
237.06458	6.2
238.07376	5.3
239.04489	2.7
239.05591	1.5
239.08131	28.3
241.06047	4.3
243.07613	8.7
245.05911	1.6
249.06581	8.1
253.05920	6.3
255.07591	2.2
256.08398	1.7
257.05557	6.5
259.11160	2.4
265.06079	2.9
267.07623	20.0
269.05490	2.8
271.07117	36.5
277.06067	11.3
285.08685	37.2
285.11880	2.3
295.07126	37.7
313.08179	46.5
313.11584	1.5
324.09726	4.8
328.09262	70.1
329.09692	1.8
331.09189	6.3
342.10748	3.4
344.26898	2.7
352.09158	2.8
361.06784	1.4
370.10303	73.9
371.10355	1.8
388.11310	100.0
388.15152	4.9
388.29358	3.3
389.06778	1.4
389.11658	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	387.2738
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	9.5
55.01856	17.3
55.05512	69.3
56.96548	34.2
57.03411	28.4
57.07067	15.6
67.05504	98.9
69.03386	12.8
69.07054	27.1
70.06570	20.6
70.42886	39.4
71.04979	20.5
71.08617	37.5
71.18256	8.1
76.36015	8.0
79.05480	51.2
81.03400	19.8
81.07056	81.5
83.04937	21.1
83.08601	43.2
85.06516	13.4
85.10174	17.9
91.05455	45.1
93.07031	59.7
95.04952	33.2
95.08604	44.5
97.06529	24.8
97.10158	20.6
99.08089	21.7
105.07006	52.6
107.08574	52.7
109.06491	24.8
109.10118	41.8
111.08064	17.9
113.09621	15.5
115.08659	21.0
117.06975	17.4
119.08572	43.9
121.06473	14.7
121.10116	25.7
123.08025	16.2
125.09609	18.2
129.06993	22.5
131.08542	23.8
133.10088	28.2
135.11710	17.7
137.05817	9.5
137.09607	11.3
141.12732	14.2
143.08534	20.7
145.10117	28.7
147.08003	17.4
147.11653	26.3
149.09641	10.5
149.13237	14.4
151.07602	10.1
151.11197	22.8
157.10049	17.5
159.08107	9.8
159.11719	21.4
161.13251	14.6
165.12766	22.8
169.12151	10.1
179.14301	13.5
189.11163	15.2
259.20563	15.8
277.21637	100.0
295.22656	70.4
313.21423	14.8
329.14230	23.3
331.13004	11.7
347.15308	77.7
351.25302	8.5
365.16339	93.6
369.24374	22.8
387.20847	12.1
387.25345	50.9
388.18161	13.0
388.91019	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	387.2527
Annotation	Atranone E
Peak:m/z	Relative Intensity
51.02387	1.1
53.03933	3.7
55.01864	5.4
55.02082	0.9
55.05508	17.8
57.03428	3.5
57.07063	2.6
58.43396	0.9
65.03933	3.1
67.05499	29.3
69.03432	6.0
69.07066	15.2
70.98003	2.9
71.04981	4.0
79.05486	24.8
81.03415	19.1
81.07047	30.8
83.04969	8.0
83.08620	7.7
85.02886	3.3
85.06515	2.3
85.44140	1.0
91.04921	1.8
91.05470	28.3
92.05856	0.9
93.03416	0.9
93.07041	25.8
95.01320	4.0
95.04965	12.1
95.08596	22.1
97.02882	5.5
97.06513	4.0
97.07578	1.1
97.10136	2.5
99.04449	2.3
99.35807	0.9
103.05431	1.4
104.04987	1.9
105.05766	3.3
105.07021	34.3
107.04948	6.9
107.08588	16.4
109.02877	2.4
109.06487	4.8
109.10157	10.2
111.04444	7.9
111.08074	1.5
115.05453	4.4
116.06252	1.1
117.07018	21.5
118.06560	1.1
119.03675	1.7
119.04917	1.0
119.08578	21.2
120.04435	1.9
121.06495	5.9
121.10134	9.3
123.04412	9.6
123.08077	4.2
123.11706	1.3
125.05976	1.6
125.09624	2.4
128.06219	7.6
129.07004	20.3
130.07761	1.6
131.04893	2.9
131.08560	27.2
132.04457	2.9
133.05286	5.5
133.06467	5.8
133.10130	16.8
134.05978	1.5
135.04362	1.4
135.08046	4.3
135.11723	6.8
137.05954	3.7
137.09546	1.5
139.07555	1.2
141.06969	8.1
142.07771	4.8
143.08549	20.6
144.09360	1.5
145.06458	7.9
145.10109	21.5
146.07268	1.4
147.04449	1.9
147.08037	8.7
147.11684	9.5
149.04706	6.4
149.05959	2.9
149.09608	4.6
149.13255	3.0
151.07539	2.0
151.11218	1.2
153.06999	1.7
154.07724	2.8
155.08525	11.9
156.09277	1.5
157.06436	5.9
157.10104	17.5
158.07237	1.3
159.08063	7.7
159.11690	16.8
161.05971	4.1
161.09648	6.0
161.13264	4.4
162.05496	3.1
163.06297	18.0
163.07538	1.3
163.11176	3.6
164.07085	9.1
165.07010	1.3
165.09090	1.0
166.07669	1.2
167.08557	4.3
168.09251	1.6
169.06459	1.6
169.10098	10.7
170.10869	1.5
171.08086	7.2
171.11682	12.9
173.06026	1.4
173.09621	6.7
173.13246	11.4
175.07536	5.6
175.11143	3.8
175.14835	1.9
177.09082	1.7
179.08556	2.4
181.06638	1.0
181.10101	7.5
182.10745	1.1
183.08125	4.7
183.11661	7.9
184.08897	1.9
185.09669	6.7
185.13231	11.2
187.07495	2.9
187.11221	5.3
187.13223	1.0
187.14787	5.0
189.09076	3.1
189.12732	3.7
191.10823	1.4
193.10185	1.7
194.08121	7.2
195.11685	5.1
197.09540	4.7
197.13251	7.6
199.11131	5.6
199.14818	6.6
200.11749	1.1
201.09009	1.5
201.12737	4.2
203.10635	2.5
203.14355	1.6
204.11194	1.1
205.12184	2.3
207.11652	2.4
209.13243	5.6
211.11180	4.2
211.14778	2.4
213.12775	7.2
213.16376	2.4
215.10587	1.1
215.14256	3.0
217.12270	2.5
220.26158	1.1
221.13300	2.3
223.14861	3.1
225.12761	3.1
225.16470	2.3
227.14272	3.9
229.12177	1.9
231.13802	1.7
235.14812	1.2
237.16336	1.4
239.14372	2.7
241.15877	2.8
243.13718	2.0
245.15361	1.4
253.15814	1.9
259.20642	2.4
261.22113	1.3
271.16885	1.5
275.20175	1.5
277.21677	6.0
281.22760	1.5
283.20483	2.6
285.22089	1.7
289.21667	3.8
291.16235	1.2
296.05890	4.2
297.22055	4.0
299.20093	2.6
299.23737	1.7
301.18024	1.4
301.21573	3.2
303.23221	1.6
309.21893	2.0
311.20139	1.3
313.21579	3.8
313.25064	1.5
315.23181	3.6
317.24756	1.4
323.23572	4.7
325.21628	1.6
327.23145	8.8
333.22079	3.2
341.24698	13.5
343.22702	1.8
345.24377	1.4
351.23215	17.8
352.23770	1.1
359.25928	2.3
369.24234	78.6
370.24609	4.1
387.25281	100.0
388.25784	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	387.2525
Annotation	Atranone E
Peak:m/z	Relative Intensity
53.03930	3.5
55.01867	6.1
55.05503	14.0
57.03418	1.6
57.07051	2.6
65.03947	2.8
67.05495	31.5
68.99763	1.4
69.03080	2.0
69.03423	20.5
69.07050	13.2
69.76656	7.7
71.04978	4.3
71.69440	1.3
73.02850	1.2
79.05480	28.9
81.03410	15.8
81.07043	34.0
83.04959	7.1
83.08614	8.6
83.09045	1.6
85.02893	3.4
85.06542	2.0
87.88109	1.3
91.05469	29.6
93.07030	28.7
95.01327	2.1
95.04942	10.9
95.08593	21.5
97.02880	12.1
97.06503	5.1
97.10168	4.7
99.04463	1.6
99.23719	1.1
103.05441	2.0
105.07021	30.5
107.04947	6.7
107.08586	16.7
109.02881	3.4
109.06485	5.7
109.10152	8.8
109.56430	1.0
111.04421	8.0
111.08044	1.5
115.05441	3.3
116.06133	1.2
117.07008	22.3
117.19938	1.0
119.04932	1.8
119.08571	25.8
121.06512	6.2
121.10111	10.8
123.04396	8.1
123.08036	3.1
123.11680	2.2
125.09582	2.4
127.03864	1.8
128.06203	6.2
129.07005	20.7
130.07791	2.7
131.04916	2.1
131.08543	27.7
133.06474	7.6
133.10101	15.7
135.08032	4.5
135.11659	6.0
137.05920	3.2
137.09619	1.8
141.06961	8.1
142.07774	4.3
143.07561	2.0
143.08557	19.6
144.09229	1.4
145.06488	8.5
145.10117	20.5
147.04350	1.5
147.07999	8.3
147.11667	10.4
149.06033	2.7
149.09621	3.5
149.13219	2.3
151.07611	2.8
153.07001	2.1
154.07861	1.8
155.08565	10.1
156.09299	1.5
157.06467	3.8
157.10114	15.4
159.08063	8.3
159.11671	14.7
161.05960	4.7
161.09625	4.6
161.13226	5.6
163.07553	2.3
163.11188	2.9
163.14845	1.5
165.06963	3.0
165.09152	1.9
167.08516	5.7
168.09311	1.4
169.06458	1.4
169.10124	10.3
171.08043	6.6
171.11668	12.0
173.09589	6.7
173.13245	11.5
175.07516	4.4
175.11171	5.6
175.14799	2.4
177.09102	1.3
181.08568	1.7
181.10115	4.6
183.08037	3.2
183.11705	8.2
184.08746	1.5
185.09599	6.7
185.13246	6.8
187.07573	3.5
187.11168	5.4
187.14780	4.5
189.09114	2.9
189.12805	2.8
189.16316	1.6
191.10522	1.7
193.10088	2.9
195.11642	4.5
197.09593	3.0
197.13255	5.9
197.29912	1.3
198.10371	1.9
199.11195	4.8
199.14827	4.7
201.09108	2.8
201.12799	4.8
203.10634	2.9
203.14345	2.2
209.13246	4.8
211.11139	3.7
211.14777	3.3
213.12735	5.4
213.16350	2.7
215.14314	2.6
217.12222	2.2
223.14917	2.5
225.12685	3.0
225.73943	1.3
227.14319	3.3
229.12306	2.5
231.13832	3.0
239.14235	3.0
243.13803	2.0
253.15800	1.7
257.15338	2.0
259.20486	1.6
271.20520	2.1
277.21628	5.5
283.20502	3.2
285.18872	1.2
285.22211	1.9
287.20096	1.6
287.23560	1.4
289.21490	3.4
291.23065	1.5
297.22092	3.1
299.20093	2.8
299.23584	1.5
301.21692	2.8
303.23160	1.7
313.21524	2.9
315.23303	2.8
317.21002	1.9
323.23712	3.2
325.21417	1.4
327.19791	1.3
327.23108	6.6
333.22086	2.1
341.24744	20.9
343.22827	2.2
345.24380	1.5
351.23047	13.3
359.25732	3.7
369.24197	69.6
370.24524	3.3
387.25247	100.0
388.25534	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	387.201
Annotation	Staphylionoside A
Peak:m/z	Relative Intensity
50.38879	1.8
53.03939	4.0
55.01865	4.4
55.05494	5.5
56.05019	1.8
57.03429	8.6
57.07056	4.0
59.04991	2.4
61.02916	6.6
67.05508	10.6
67.66954	1.9
69.03422	28.7
69.07077	3.1
70.06590	12.8
71.04979	7.6
71.72913	3.2
72.08149	8.5
73.02908	3.7
74.55399	2.4
79.05486	10.4
79.80310	2.0
81.03409	19.4
81.07042	16.2
83.04984	7.8
83.06095	4.7
83.08601	2.9
84.04506	7.3
84.08121	11.7
85.02387	3.1
85.02901	61.4
85.06550	5.0
86.09708	15.5
87.04472	2.4
89.06021	4.0
91.03967	2.8
91.05490	16.6
93.04503	3.4
93.07038	11.1
95.04966	6.7
95.06089	5.9
95.08604	15.7
97.02888	21.7
97.06521	6.6
99.03868	1.9
99.04425	11.2
105.07023	47.8
107.04979	3.0
107.08559	11.3
109.02860	11.2
109.06503	9.1
109.10155	8.7
110.06422	3.7
110.07156	34.8
111.04442	2.6
111.06842	3.9
111.07496	11.0
112.08804	2.0
112.11258	2.1
115.05415	1.9
116.07072	3.3
117.07016	4.7
119.08575	40.5
120.08111	2.2
121.06509	7.4
121.10146	7.1
123.04525	2.1
123.08060	42.7
123.11697	4.8
125.05969	5.8
127.03902	14.1
129.10236	2.7
131.08575	5.6
133.06479	6.1
133.10121	56.7
135.08034	4.2
135.11679	4.3
137.05928	3.9
137.09642	5.3
139.07512	3.2
140.61076	2.3
143.08542	2.4
144.06451	4.1
145.04933	18.4
145.10100	10.4
147.08057	2.9
147.11684	5.9
149.09622	6.0
151.07530	76.8
151.11136	2.5
153.09042	1.9
153.12764	2.1
156.07669	5.4
156.09373	2.2
157.08025	2.2
161.09593	41.2
161.13304	4.1
163.11179	51.7
163.14828	2.5
165.09100	2.7
165.12703	2.3
166.03214	2.0
167.07082	13.3
167.10519	2.1
179.09213	3.7
179.10664	46.3
181.12231	19.8
189.09074	24.0
189.12712	17.5
191.14420	2.5
192.11481	3.6
207.10172	27.1
207.13789	100.0
209.15364	4.9
225.11147	7.6
225.14731	17.1
226.10953	2.6
229.89064	1.8
240.19482	5.5
278.19342	2.8
278.73694	1.9
288.42126	2.2
309.77457	2.1
323.21652	8.9
341.22684	3.0
351.14432	3.9
369.15237	7.8
369.22247	14.8
387.15759	9.1
387.19952	24.5
387.23395	24.2
388.16046	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	387.1645
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	5.1
55.01868	5.4
55.05497	8.0
57.03427	5.4
59.04986	5.6
61.02903	3.0
65.03955	2.5
67.05487	11.6
67.78761	2.2
69.03427	22.9
69.07059	2.4
70.06583	12.8
71.04979	14.2
71.21082	5.1
72.08142	10.9
73.02906	3.0
77.03926	2.2
79.05476	13.9
81.03402	30.7
81.07043	30.8
83.04984	2.8
84.04499	6.2
84.08121	7.9
85.02888	23.4
85.06518	3.4
86.09697	25.1
87.04459	7.1
89.06033	3.1
89.67908	2.6
91.05464	23.7
93.07032	21.6
95.04947	11.2
95.08604	10.5
97.02873	15.5
97.06518	4.3
99.04440	39.8
103.03946	4.6
103.05424	5.5
105.03384	7.8
105.07014	100.0
107.04958	7.8
107.08599	18.2
109.02859	25.1
109.06495	11.6
109.10139	9.4
110.07153	4.5
111.04482	2.9
111.05550	5.5
111.08064	6.3
112.11224	4.2
114.05542	3.0
115.05479	2.9
116.07063	2.4
117.06995	6.0
119.04884	2.6
119.08560	26.0
120.08058	2.9
121.06485	14.0
121.10155	6.5
122.03635	7.5
123.04337	2.9
123.08035	13.2
123.11717	2.6
125.05984	3.3
127.03903	8.6
128.06203	6.2
129.07054	3.3
129.10280	3.0
131.04900	2.7
131.08530	4.8
133.06502	11.9
133.10118	78.6
135.08025	7.1
135.11681	5.1
137.05952	80.3
137.09593	7.0
142.04968	5.2
143.04903	3.3
143.08568	13.4
145.04926	8.8
145.06493	4.1
145.10109	10.5
146.07195	3.7
147.07968	4.7
147.11649	6.9
151.03873	5.0
151.07489	14.7
151.11160	7.4
161.05891	3.4
161.09601	91.7
161.13222	4.6
162.09933	2.9
163.07533	3.0
163.11157	29.8
165.09100	9.9
165.12738	4.8
167.07066	7.9
171.07951	3.2
173.05968	3.3
177.06723	2.7
179.10640	32.6
181.04938	12.8
181.12209	7.0
185.12775	2.6
189.01817	5.9
189.09085	35.5
189.12720	6.9
201.05428	3.9
203.07033	3.1
203.13969	3.7
207.02885	5.2
207.10153	31.8
207.13771	46.6
210.11224	7.7
219.06531	2.9
225.11195	20.1
225.14815	5.3
229.05006	8.6
243.08559	3.3
257.04462	5.3
261.09644	8.8
278.05798	3.5
279.06808	2.9
285.03964	5.8
291.06552	12.1
303.04922	3.7
303.09909	2.7
323.05652	5.4
323.15149	2.5
331.09540	11.6
341.06534	17.2
341.15900	8.4
351.14368	10.2
357.07693	2.3
357.13235	9.3
358.08295	8.1
359.09109	12.4
369.06110	16.7
369.15320	14.2
369.19336	3.3
387.08514	91.8
387.14322	25.7
387.20145	9.9
388.08911	10.9
388.15067	2.5
405.51651	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	387.1647
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	4.1
55.01866	3.8
55.05509	2.5
57.03444	2.3
59.82130	1.5
65.03937	2.2
66.20799	1.6
67.05497	8.2
69.03420	12.5
69.07047	1.9
69.26244	1.5
69.52774	15.6
70.06586	4.6
71.04992	11.5
71.76808	1.4
72.08143	3.3
75.57308	1.5
79.05491	13.0
81.03410	24.5
81.07053	21.7
84.08180	2.4
85.02907	8.6
85.06522	2.5
86.09697	3.7
91.05476	23.8
93.07032	25.6
95.04950	5.3
95.08606	9.9
97.02876	9.1
97.06514	3.1
98.21536	1.9
99.04446	31.5
102.63584	1.7
103.05474	3.2
105.03387	3.4
105.07021	90.4
107.04945	5.4
107.08600	12.9
109.02869	23.1
109.06518	6.7
109.10159	3.5
111.08061	9.5
115.05441	3.1
117.07043	4.3
119.04923	2.5
119.08560	12.8
121.06492	7.6
121.10088	2.2
122.03625	2.4
123.08048	11.7
127.03902	3.2
128.06233	6.7
129.03372	1.7
129.07021	2.2
131.04933	3.2
131.08585	4.1
133.06491	14.0
133.10118	88.2
134.10449	2.5
135.11681	3.1
137.05959	40.9
137.09602	2.7
143.08542	11.4
145.04944	5.5
145.06471	3.2
145.10126	10.2
146.07243	6.1
147.08023	3.4
149.05968	1.8
151.03906	3.3
151.07504	11.1
151.11172	4.6
161.09615	100.0
162.09987	2.8
163.11165	24.2
167.07024	5.4
170.74751	1.6
171.08124	3.8
171.98541	1.6
173.05946	2.4
174.06743	1.9
177.09015	1.9
179.10664	32.5
181.04959	9.7
181.12257	2.2
189.09096	39.8
189.12621	1.7
190.09395	2.1
191.06970	1.5
193.08820	1.8
201.05467	2.7
207.10175	20.0
207.13786	8.6
213.07544	2.1
225.11241	13.9
225.14893	1.7
229.04936	2.0
243.08656	5.0
261.09796	5.4
267.06445	1.6
285.03860	3.0
291.06534	5.9
297.07480	1.6
299.05472	3.7
303.09958	2.2
331.09558	8.8
333.13525	2.4
341.06845	2.4
341.15921	5.9
351.14343	10.2
357.13235	3.9
358.08087	1.7
359.08881	9.0
369.08249	4.3
369.15283	10.6
387.08600	38.0
387.14499	6.3
387.19760	3.9
387.25806	3.0
388.08942	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1647
Annotation	Icariside H1
Peak:m/z	Relative Intensity
53.03928	4.9
55.01873	11.9
55.05502	14.9
57.03437	17.9
65.03926	4.9
66.12597	3.6
67.05503	33.3
69.03416	9.1
69.07073	18.6
70.06583	42.1
70.72009	13.3
71.04997	9.3
72.08160	8.1
73.02915	11.1
78.94171	3.4
79.05489	43.4
81.03410	22.2
81.07059	49.2
83.04987	9.6
83.08614	10.3
83.26550	3.8
84.04510	6.1
84.08136	4.3
85.02905	12.4
85.06534	5.7
86.09698	8.3
89.06017	5.9
91.05483	31.9
93.03455	4.3
93.07037	35.9
95.01327	14.7
95.04959	20.1
95.08601	33.3
97.02882	9.6
97.06546	7.0
97.10177	3.8
98.09666	6.7
99.04437	6.5
99.08077	4.2
101.02374	6.1
103.05476	18.2
105.07040	32.1
107.04958	21.6
107.08571	21.0
109.02892	10.1
109.06494	10.8
109.10169	17.0
111.04453	7.3
111.08091	4.3
115.05447	10.4
116.07048	4.4
117.06962	16.5
118.06825	8.3
119.04977	7.2
119.08565	21.3
120.08097	6.3
121.02830	6.8
121.06502	14.6
121.10140	19.3
122.03636	9.2
123.04429	13.0
123.08064	7.6
125.02393	6.5
125.05961	4.5
125.09662	6.2
129.06998	10.5
130.06508	3.9
131.04951	13.5
131.08585	14.4
133.02864	3.9
133.06493	11.7
133.08548	4.3
133.10158	12.3
135.04408	6.0
135.08029	5.0
135.11690	9.4
136.43982	3.5
137.05974	100.0
137.09613	5.6
137.13254	3.7
139.03905	4.3
139.07527	4.5
139.11180	4.0
141.01793	10.4
143.04913	4.8
143.08553	7.2
145.06461	10.3
145.10117	10.6
146.11723	3.4
147.04417	13.4
147.08046	7.2
149.05998	11.5
149.09607	5.2
151.03918	14.1
152.10577	3.9
153.05438	5.9
154.07736	5.5
157.10117	6.1
159.04463	6.3
159.09149	4.3
159.11717	15.3
159.24449	3.3
161.05945	8.8
161.09599	9.6
163.03902	7.0
163.07568	5.8
163.11179	15.6
165.05560	5.5
165.09181	5.0
167.03412	5.2
167.07083	33.3
169.10149	10.7
173.05919	9.4
173.09639	4.3
175.03848	5.1
175.07579	6.4
177.05408	6.7
177.12735	4.8
179.03500	4.8
181.04922	25.7
181.12181	10.7
187.07542	5.2
187.11237	10.9
189.12677	4.5
191.06969	9.1
197.09706	8.2
203.07004	8.1
205.12230	10.4
207.06529	5.8
207.10176	5.2
207.13812	8.6
213.12410	4.0
215.10728	12.1
217.08456	3.9
217.12094	5.0
225.09090	4.6
231.13730	4.0
233.08057	4.1
233.11714	18.1
235.13286	7.2
243.10265	10.9
251.12758	20.4
261.11221	24.9
265.08505	4.4
269.11508	5.4
279.12256	30.5
287.12820	7.4
296.17712	5.7
297.13483	27.8
299.05609	10.1
305.14124	5.0
306.15967	4.7
323.14758	10.8
324.17212	16.2
326.10876	3.7
333.13330	11.7
351.14240	12.5
357.13290	12.5
369.06000	4.6
370.17566	11.1
387.07373	11.6
387.14374	23.0
387.20093	27.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.158
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.6
55.01862	3.6
55.05239	1.5
55.05503	26.2
56.05011	1.1
57.03408	0.9
58.99564	2.6
61.84014	0.6
65.03928	1.1
66.04411	0.8
67.05492	8.8
68.05008	1.9
69.03426	3.7
69.07063	3.6
69.53553	6.6
70.06561	1.2
73.01121	1.4
74.00662	5.4
79.05482	10.0
80.04992	2.1
81.03399	2.2
81.05782	4.4
81.07050	9.8
83.04951	1.9
83.08606	14.6
84.04498	1.1
84.08146	0.8
85.01077	0.9
85.02884	1.3
86.00657	1.1
86.99033	2.5
87.02674	1.1
88.02206	12.0
88.07314	0.7
91.05482	4.2
93.07035	4.4
94.04173	2.3
94.06588	0.9
95.04957	1.9
95.08577	3.1
97.01096	1.6
97.10154	29.4
98.00638	7.0
99.01406	1.4
100.02185	1.7
101.09660	0.9
103.05445	1.8
105.07021	3.7
105.07658	0.7
106.83266	0.8
107.04926	1.5
107.08578	8.4
109.02875	0.9
109.06503	1.4
109.10102	3.3
110.10425	0.8
111.02725	0.7
111.04412	0.9
111.08002	0.9
112.02177	8.9
113.00582	4.4
113.02422	0.7
114.03735	100.0
115.04089	1.7
115.05434	1.6
116.01658	13.9
117.07001	2.9
118.04140	0.8
119.08566	1.4
121.10168	1.4
122.03631	4.9
123.11713	0.8
125.09614	18.1
126.03782	1.0
131.04887	1.6
131.08543	0.9
133.06490	0.8
133.10141	2.4
135.08032	2.9
137.05956	61.6
138.06328	1.4
140.01648	4.8
143.04935	2.1
143.06345	1.7
143.08565	0.7
143.10692	1.0
144.01144	1.7
145.06464	2.2
145.10144	1.6
146.02676	1.4
148.05150	1.1
149.09566	1.2
151.03883	4.6
153.09094	1.4
162.02206	3.9
163.07567	1.1
163.11168	0.9
165.09097	2.0
167.07008	8.7
167.08350	1.0
169.04288	1.1
171.05794	6.4
171.10130	0.9
171.11673	0.8
173.05966	2.1
175.07523	1.4
177.03391	0.7
177.05501	0.7
181.04936	17.2
189.09380	1.1
189.11191	8.1
189.12802	0.9
189.16374	0.9
191.06996	5.2
191.10706	1.0
193.08635	0.6
195.08376	2.5
203.07037	1.3
205.08580	1.4
209.11742	1.4
215.04860	3.6
216.05136	4.5
217.04659	1.0
217.06482	5.4
217.08301	1.1
220.11545	0.7
223.07899	3.4
223.30537	0.7
226.14287	1.2
233.08203	0.9
235.09637	1.8
238.12566	6.6
240.10481	1.4
248.11023	4.5
258.11633	1.4
266.12064	49.1
267.12534	2.3
278.12057	1.4
284.13095	20.4
285.13547	1.5
294.11514	28.4
295.14847	1.4
312.12613	3.7
313.75726	0.7
316.12363	0.9
323.14175	7.5
323.17233	0.8
341.15250	35.4
342.15533	1.7
351.13568	2.5
357.13327	8.0
357.83505	0.7
369.14725	10.6
370.15250	0.9
387.15427	28.1
388.15656	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1647
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	3.2
55.01863	3.7
55.05496	3.7
56.55940	1.6
67.05493	3.4
69.03423	10.4
69.07062	2.6
69.40808	18.4
71.04977	8.6
72.84314	1.5
79.05491	10.2
81.03417	18.7
81.07052	25.4
82.73921	1.6
85.02888	5.5
85.06499	2.1
86.09698	1.6
91.05480	16.3
91.54675	2.2
93.07039	18.7
95.04961	4.8
95.08595	5.8
97.02877	10.0
97.06509	2.7
99.04453	35.0
103.05441	3.6
105.07023	93.2
106.07340	2.4
107.04984	3.5
107.08602	12.9
109.02860	19.2
109.06492	3.1
111.08028	5.8
117.05494	2.6
117.07014	3.0
119.04906	5.0
119.08584	7.9
121.06470	10.0
121.10200	1.8
123.08015	4.2
126.13721	1.9
127.03913	2.0
128.06224	5.0
131.04964	2.8
131.08568	4.0
133.06506	14.1
133.10117	86.0
134.10460	3.6
135.08031	1.9
135.11705	4.1
137.05960	7.8
137.09592	2.4
137.88068	1.7
143.08551	14.1
145.10136	8.7
146.07230	3.0
149.05988	4.9
151.07527	7.4
151.11201	5.0
161.05975	2.5
161.09608	100.0
162.09891	3.1
163.11165	25.4
163.13303	1.7
167.07028	1.9
171.08035	4.0
177.05473	7.4
179.07117	2.5
179.10680	36.3
181.12294	2.5
189.09084	47.6
189.12746	2.3
190.09398	1.9
191.06982	2.1
206.60962	1.8
207.06799	1.8
207.10141	20.8
207.13739	10.6
210.11267	2.1
225.11176	18.4
243.08656	5.5
243.56725	1.7
261.09656	5.1
323.14957	3.6
333.13129	1.9
341.15787	5.7
351.14319	13.8
369.15408	11.9
387.14423	3.1
387.19662	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1435
Annotation	(-)-(3S,4R,6S)-3-(3',4'-Methylenedioxy-alpha-hydroxybenzyl)-4-(3'',4''-dimethoxybenzyl)butyrolactone
Peak:m/z	Relative Intensity
53.03906	0.4
55.01869	1.4
55.05504	1.8
57.03411	0.6
58.92162	0.2
65.03922	1.9
66.04701	0.5
67.05497	3.6
69.03433	1.7
69.07040	1.4
70.06562	1.2
71.04977	0.5
71.10369	0.6
71.85236	0.2
72.08131	0.5
78.04696	0.5
79.05487	2.8
81.03391	1.7
81.07050	3.8
82.04182	0.6
83.04967	0.9
83.08595	1.0
84.04485	0.5
84.08131	1.1
85.02880	2.3
85.06511	0.5
88.02206	0.5
91.05463	3.4
93.07024	1.4
94.04175	2.4
94.06555	0.3
95.01314	0.8
95.04950	1.7
95.08582	1.6
95.99605	0.3
97.02902	0.8
97.06527	1.0
97.10157	1.7
98.00619	0.3
99.04401	0.6
103.05455	2.9
105.03402	0.6
105.07027	1.9
106.04164	0.9
107.04934	2.5
107.08555	1.7
108.02101	0.4
109.02866	0.6
109.06499	0.8
109.10140	1.7
110.03633	0.8
111.04427	0.7
111.08053	0.3
112.02178	0.5
114.03741	4.4
115.05430	1.9
116.01671	0.7
117.07018	2.8
118.04148	0.7
119.04909	0.6
119.08556	1.5
121.06509	0.8
121.10125	1.4
122.03628	8.7
123.04436	1.4
123.08020	0.3
123.11655	0.6
124.05193	0.4
125.05980	1.2
125.09606	1.0
127.03959	0.5
128.06232	0.4
129.06963	0.6
131.04910	2.8
131.08537	0.6
132.05679	0.5
133.02789	0.3
133.06465	1.0
133.10104	1.2
135.04399	0.6
135.08025	0.8
135.11696	0.3
137.05957	100.0
137.09572	1.2
138.03116	0.2
138.06271	2.2
139.03825	0.4
139.07527	0.3
141.05455	0.5
142.02615	0.9
143.04907	3.3
143.08557	0.4
145.06464	3.4
145.10095	0.9
147.04391	0.7
147.08011	0.6
147.11647	0.9
148.05197	1.0
149.05957	1.4
149.09593	0.7
149.13237	0.4
151.03897	8.2
151.04930	0.5
151.07518	0.9
152.04648	0.4
153.05391	0.3
155.06003	0.7
155.08522	0.4
157.10066	0.5
159.08040	0.3
159.11707	0.4
160.05157	0.3
161.05962	1.2
161.09619	0.8
163.03957	0.3
163.07533	2.8
163.11163	0.4
164.76398	0.3
165.05446	0.4
165.09091	4.6
167.07027	12.6
171.04430	0.3
171.06624	1.4
171.11653	0.5
173.05971	3.9
173.13237	0.6
175.07509	1.6
176.04657	0.3
176.22260	0.3
177.05424	1.5
177.09099	0.4
179.06935	0.6
179.10699	0.4
181.04935	25.4
182.05208	0.3
185.13216	0.4
187.07462	0.6
187.11063	0.3
189.05441	0.4
189.09027	0.5
189.16434	0.4
191.06992	6.7
191.08716	0.4
192.07666	0.5
193.04994	0.6
193.08629	0.6
197.13345	0.4
199.15005	0.3
203.07002	1.8
205.06587	0.4
205.08507	2.2
205.12292	0.6
207.06519	0.7
209.08240	0.4
211.14940	0.4
215.04955	0.4
215.06924	0.4
217.06618	0.3
221.07956	0.4
223.07465	0.4
233.08047	1.2
234.06859	0.4
235.07507	0.4
235.09621	2.1
247.07570	0.4
249.09059	0.4
265.08633	0.5
266.12021	1.8
277.08542	0.5
279.10062	0.3
284.13092	1.1
291.06030	0.3
294.11493	1.1
299.05508	0.6
305.08276	0.3
309.11261	0.7
310.26907	0.3
337.10648	0.6
339.12271	0.5
341.15436	1.5
351.14233	1.3
355.11801	0.5
357.13278	10.6
358.13730	0.3
369.13754	1.3
387.14352	25.0
388.14780	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1435
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	0.4
64.74313	0.3
65.03922	1.3
67.05497	1.1
67.48087	0.4
69.03438	0.5
70.81382	0.9
70.81737	0.6
73.57323	0.3
79.05483	1.1
81.03383	0.4
81.07043	0.8
91.05467	1.8
94.04196	2.5
95.04965	0.9
103.05463	2.8
105.07014	0.5
107.04928	1.3
110.03667	0.6
111.04419	0.5
115.05444	1.8
117.07011	1.7
118.04149	0.7
122.03632	9.2
123.04407	0.6
125.06009	0.5
131.04901	2.7
133.06488	1.0
133.61534	0.4
135.04431	0.4
137.05966	100.0
138.06325	2.3
141.05476	0.5
143.04887	2.8
145.06450	2.3
146.03615	0.4
147.08023	0.6
148.05176	1.6
151.03897	7.6
151.04990	0.6
153.05399	0.4
155.06015	0.7
161.05995	0.5
163.07571	2.1
167.07025	11.7
171.04449	0.4
171.06497	1.2
173.05930	3.3
175.07541	1.8
177.05434	0.5
181.04939	18.2
182.05293	0.8
191.06998	8.3
192.07381	0.8
195.06493	0.6
203.06955	1.8
205.08537	1.9
206.07295	0.4
233.08124	1.2
235.09578	1.7
265.08444	0.5
277.08597	0.5
278.09436	0.5
291.10095	0.5
305.08096	0.8
307.09839	0.5
319.09720	0.6
337.10513	1.7
351.12225	1.0
357.13309	11.1
358.13470	0.9
360.04660	0.4
363.55490	0.5
369.13168	0.8
387.14355	22.8
388.14673	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1434
Annotation	(-)-5'-Demethylyatein
Peak:m/z	Relative Intensity
50.47780	0.4
53.03931	0.6
55.01873	1.9
55.05495	0.8
57.03431	0.6
65.03935	2.2
66.04694	0.4
67.05492	2.8
69.03411	1.4
69.07054	0.7
70.06559	1.4
71.04977	0.5
71.73594	0.6
72.08141	1.1
79.05485	2.3
81.03408	1.6
81.07050	2.7
82.04176	0.6
83.04970	0.6
83.08608	0.6
84.08142	0.6
85.02883	2.0
91.05460	3.3
93.07033	1.4
94.04176	3.3
95.01323	0.6
95.04963	1.4
95.08601	1.5
97.06512	1.3
99.04436	0.4
103.05454	2.7
105.03390	0.6
105.07014	1.5
107.04925	2.4
107.08577	0.9
109.02856	0.8
109.06514	1.0
109.10148	1.3
110.03645	1.0
111.04438	1.1
111.08060	0.4
115.05424	2.5
115.24021	0.4
117.07011	2.4
117.07681	0.4
118.04145	0.7
119.08569	1.2
121.02866	0.7
121.06436	0.6
121.10184	1.0
122.03642	6.7
123.04415	1.6
123.08075	0.5
125.05911	0.5
125.09626	0.5
127.03938	0.7
129.06998	0.6
131.04904	2.7
131.08539	0.8
133.06487	0.6
133.10098	0.7
135.04414	0.5
135.08006	0.5
137.05962	100.0
138.03156	0.6
138.06303	2.2
142.02614	0.9
143.04919	2.8
145.06458	3.8
147.08032	0.7
147.11687	0.7
148.05212	1.4
149.05914	0.7
151.03897	8.9
151.04997	1.0
153.05441	0.8
155.05989	0.6
155.08574	0.5
157.10080	0.5
159.08043	0.5
159.11731	0.4
160.07507	0.7
161.05966	1.5
161.09583	0.7
163.07510	3.5
165.05431	0.8
165.06953	0.6
165.09044	0.8
167.05582	0.9
167.07024	17.5
171.04344	0.6
171.06558	1.4
173.05963	3.9
175.07530	1.7
177.05443	0.8
181.04944	26.3
182.05286	0.7
187.07558	1.4
189.05479	0.7
189.09059	0.6
191.07021	7.7
193.08594	0.8
203.07022	2.6
205.06718	0.6
205.08585	2.1
207.10020	0.5
215.07080	0.5
233.08035	2.5
234.06717	0.5
235.07613	0.6
235.09653	2.6
249.09143	0.7
265.08615	0.7
277.08652	0.5
281.07907	0.5
297.11215	0.8
299.05518	0.9
301.10608	0.4
307.09686	0.6
311.12839	0.7
313.10864	0.6
323.09113	0.5
325.10681	1.5
326.11395	0.5
327.12927	0.7
329.13788	1.1
337.10736	1.0
339.12521	0.5
351.14902	2.9
355.11960	0.8
357.13300	15.9
358.13855	0.8
369.13431	0.9
387.14386	25.2
388.14725	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1395
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.6
56.05030	0.8
56.96548	0.8
65.03012	0.4
70.06586	4.7
71.43064	1.2
72.08134	1.3
80.07773	0.5
81.03383	0.8
81.16985	0.5
84.04505	2.4
84.08129	2.4
85.02894	1.2
86.09682	1.6
90.01776	0.5
91.05550	0.5
97.02905	0.5
98.06050	1.2
98.21229	0.6
98.97566	1.0
106.61179	0.5
107.04949	0.6
110.06081	0.5
115.37907	0.5
116.01677	0.8
116.98623	1.0
118.06537	1.3
128.04964	2.8
129.06622	0.6
129.10246	0.9
134.99652	0.7
145.05063	0.6
146.05995	100.0
147.06303	2.7
148.03946	0.9
156.04776	1.2
167.07008	1.1
186.99117	1.0
190.04985	16.4
191.05336	0.6
208.06038	9.9
209.06201	0.5
222.05896	0.7
225.00751	1.5
243.01680	1.5
252.79732	0.5
259.07449	2.1
363.06015	1.2
366.45193	0.6
379.26099	0.5
395.94006	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1435
Annotation	(-)-(3S,4R,6S)-3-(3',4'-Methylenedioxy-alpha-hydroxybenzyl)-4-(3'',4''-dimethoxybenzyl)butyrolactone
Peak:m/z	Relative Intensity
51.02369	0.3
53.03930	0.5
55.01869	1.5
55.05488	0.4
65.03928	1.4
66.04709	0.7
67.05488	0.8
69.03406	0.3
69.92527	0.3
70.06557	0.4
71.00449	0.3
71.00795	0.6
78.04675	0.4
79.05495	2.0
81.03400	0.4
81.07036	0.8
82.04182	0.3
83.08588	0.4
84.08132	0.4
85.02890	0.8
91.05472	1.8
93.03415	0.3
94.04175	2.5
95.04961	0.9
97.06529	0.4
103.05464	3.1
105.03330	0.3
105.07005	0.6
107.04932	2.1
108.02051	0.4
108.84131	0.2
110.03654	0.5
111.04413	0.5
115.05437	2.7
117.07008	1.7
118.04176	0.4
119.04926	0.4
120.05757	0.2
121.06438	0.3
121.11094	0.2
122.03640	8.2
123.04391	0.8
124.05190	0.4
125.05992	0.7
127.05510	0.4
131.04906	2.5
132.05688	0.7
133.02824	0.5
133.06474	0.9
134.03577	0.4
135.08038	0.3
137.05959	100.0
138.03140	0.3
138.06273	2.8
141.05426	0.4
142.02657	0.3
143.04921	3.5
144.05624	0.4
145.06471	2.7
147.04393	0.3
148.05179	1.5
151.03886	7.7
151.04889	0.4
152.04521	0.5
153.05429	0.6
153.35300	0.3
155.04922	0.4
155.06044	0.7
157.06546	0.4
160.05164	0.4
161.06000	0.6
163.07506	2.5
165.05484	0.3
167.07021	13.7
168.07353	0.3
171.04353	0.3
171.06544	1.1
173.05971	3.4
175.07491	1.6
176.04622	0.4
177.05452	0.6
178.07721	0.3
181.04930	17.6
182.05357	0.4
187.07539	0.6
189.05418	0.4
190.07803	0.3
191.07008	7.8
191.08662	0.6
192.07634	0.3
195.06505	1.2
200.90068	0.3
202.07663	0.4
203.06970	2.0
203.08705	0.3
205.06468	0.7
205.08588	2.3
206.07217	0.6
207.08076	0.3
215.07040	0.4
218.07182	0.4
218.66127	0.3
219.08067	0.8
221.07909	0.4
222.06752	0.5
223.07552	0.3
225.08803	0.3
231.08084	0.7
233.06027	0.4
233.08096	1.1
234.06709	0.9
235.07549	0.5
235.09612	2.2
236.08124	0.3
237.09009	0.5
244.05167	0.3
245.05994	0.4
246.06732	0.5
247.07590	0.8
248.08308	0.4
249.09113	0.7
251.06940	0.4
253.08795	0.4
258.06854	0.4
259.07510	0.5
260.08124	0.3
263.06952	0.3
264.07797	0.3
265.08578	1.0
267.10181	0.3
275.06931	0.4
276.07761	0.7
277.08630	1.3
279.06570	0.5
279.10107	0.9
287.06973	0.7
291.10138	1.0
293.07919	0.5
305.08060	2.4
306.08563	0.4
307.09650	1.0
308.10452	0.4
309.11218	0.6
319.09659	2.0
322.08322	0.4
325.10571	0.4
337.10629	3.7
338.10916	0.6
339.08453	0.3
339.12299	0.9
351.12238	1.5
357.13269	13.0
358.13596	0.8
369.13327	1.4
387.14346	20.9
388.14877	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1283
Annotation	4-O-beta-D-Glucosyl-sinapate
Peak:m/z	Relative Intensity
51.02386	0.2
55.01868	0.2
57.03418	0.3
58.06578	0.3
69.03422	0.3
69.82282	0.3
69.82699	0.9
70.06597	0.4
72.08138	0.3
78.04707	1.5
79.05500	0.9
79.66354	0.1
81.07033	0.3
84.04503	0.5
84.08127	0.8
85.02893	0.7
86.09707	0.3
91.05469	0.9
93.07042	0.6
95.01317	1.7
95.04945	0.5
96.00163	0.1
96.05720	0.2
97.02885	0.3
103.05431	0.5
105.07003	1.4
106.04172	0.9
107.04943	1.3
109.06503	0.2
109.84229	0.2
111.04414	0.2
112.11215	0.7
115.05451	0.3
119.04960	0.2
121.06496	1.2
122.03624	0.3
123.04424	4.5
123.08048	0.2
124.05215	2.0
129.01804	0.3
129.13884	0.3
133.06482	0.8
134.03629	0.3
135.04433	0.2
137.05959	0.5
141.01810	0.5
149.05960	1.4
151.03905	0.6
151.07524	0.3
151.64421	0.2
152.04637	1.5
161.05966	1.1
162.06714	0.2
163.11176	0.4
165.09091	0.2
166.06219	0.4
167.07022	100.0
168.07388	1.7
177.03946	0.3
179.07040	0.4
181.08531	1.8
193.08572	3.2
207.10049	0.2
207.13831	0.3
211.09654	3.0
225.66801	0.2
387.11981	0.3
387.16397	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63124	0.4
51.04633	0.4
55.01854	0.5
55.05503	0.9
56.05030	1.1
57.03426	0.6
61.02924	0.5
67.05506	2.1
68.05019	1.4
69.03414	0.9
69.07058	0.7
69.76723	1.0
69.77148	1.8
70.06579	4.6
70.70782	0.4
72.08143	0.7
79.05472	1.1
81.03441	0.5
81.04530	1.7
81.07042	3.2
82.05308	1.4
83.04977	0.4
83.06099	13.7
83.08601	0.9
84.08139	0.7
85.02880	1.6
85.06560	0.4
86.09716	0.5
89.06052	0.5
91.05450	2.1
93.04518	8.8
93.05105	0.5
93.07027	2.0
95.05009	0.7
95.06081	15.9
95.08611	0.8
97.06540	0.8
98.21421	0.8
99.04444	0.6
103.03947	0.6
105.07042	1.6
107.06098	0.5
107.08573	1.1
109.07642	0.6
109.10133	0.4
109.92271	0.4
110.07155	100.0
111.05565	1.6
111.07485	1.3
112.08726	3.2
113.07104	1.1
117.06981	0.6
119.08588	1.0
120.05566	0.9
121.10137	0.6
123.08088	1.1
124.08741	0.7
125.07146	0.5
131.08575	0.8
133.06555	0.6
133.10141	1.9
135.08051	0.4
138.06656	0.4
139.05069	0.6
145.85130	0.4
147.04442	0.5
148.31560	0.5
149.13208	0.6
151.07541	1.6
156.07677	14.6
161.09644	0.7
162.72476	0.4
163.11162	0.9
167.07033	2.0
177.05453	1.8
179.10713	0.6
189.09004	0.7
189.12726	0.5
202.19362	0.5
207.13799	1.8
225.14795	0.6
234.72186	0.4
259.18051	0.8
277.19119	5.2
286.19455	0.6
304.20197	1.6
307.20319	0.5
322.21234	17.6
323.21628	0.6
324.22763	1.3
340.22287	6.7
341.20325	0.5
342.24094	0.5
354.23953	1.6
368.21756	33.3
369.22263	2.3
386.22806	70.0
387.15964	1.0
387.23416	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	386.144
Annotation	Unknow
Peak:m/z	Relative Intensity
53.29507	2.2
55.01884	3.1
56.25700	2.1
57.03440	2.4
60.04528	3.5
69.03424	10.9
70.06578	14.1
70.38464	6.4
70.38816	4.1
72.08163	2.7
73.02927	2.3
79.92690	2.2
81.03442	8.2
84.08158	8.6
85.02898	31.2
86.09721	9.4
87.00819	14.4
91.05476	100.0
97.02884	12.3
99.04446	6.3
105.01863	22.6
105.07054	3.4
109.02882	8.4
110.07156	5.2
117.06975	2.3
120.08123	4.0
127.03896	22.2
129.10233	2.9
138.05594	3.4
138.06665	3.0
145.03928	3.0
145.04979	8.4
145.06419	2.4
150.00514	2.2
159.02855	4.4
199.07610	2.7
202.05884	2.5
231.05046	5.2
237.55701	2.4
249.06047	3.3
331.09647	4.8
358.08432	2.5
359.09174	3.2
360.07834	2.1
386.14993	4.8
386.22330	4.9
387.08524	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	385.3057
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18892	0.3
55.05508	1.6
56.05032	2.9
57.07069	7.6
58.14353	0.4
62.06020	0.3
67.05505	2.6
69.07061	1.5
71.08620	5.9
71.75430	0.3
81.07051	3.1
83.06097	22.8
83.08596	1.8
84.04497	68.7
85.02868	0.5
85.04833	0.7
85.10172	3.0
88.07599	0.5
95.08602	4.8
97.10165	1.4
98.21130	0.4
101.07136	8.1
102.05529	2.8
109.10169	2.3
123.11701	1.2
125.76211	0.3
129.06592	31.6
130.04990	100.0
131.05344	1.1
131.23750	0.4
137.13290	0.5
147.07628	26.7
148.08006	0.4
149.02348	0.4
149.85210	0.3
156.69493	0.3
161.63199	0.4
162.74631	0.3
171.07657	0.6
171.98282	0.3
239.23647	3.8
243.32318	0.3
248.63774	0.3
256.26318	6.7
257.26810	0.5
286.08176	0.4
367.29681	0.6
368.27936	0.6
380.41876	0.3
385.29904	1.3
386.40482	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.2581
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	12.6
55.05508	37.1
57.03435	16.1
57.07078	11.2
67.05502	100.0
69.03439	5.6
69.07053	26.7
71.04986	5.7
71.72102	5.0
71.72583	7.9
73.85696	4.8
74.90634	5.3
79.05482	55.5
81.03425	11.7
81.07049	92.2
81.56101	4.6
83.04985	21.9
83.08620	12.7
85.06522	7.8
91.05470	73.0
91.35028	5.0
93.07034	57.3
95.04967	50.1
95.08601	34.7
97.06522	10.0
97.10168	5.8
105.07031	60.7
107.04949	10.1
107.08598	48.8
109.06507	17.3
109.10131	43.7
117.06995	12.5
119.08582	31.3
121.06499	10.0
121.10145	20.2
123.08080	9.4
123.11714	20.8
125.09651	14.1
127.07586	5.5
129.06990	7.5
131.08565	12.4
133.10118	69.9
135.08081	13.9
135.11650	13.0
137.09578	9.5
145.10136	11.6
147.11702	20.2
149.09572	11.0
151.11162	46.8
151.44633	5.0
155.29771	4.8
157.10173	10.6
159.11650	9.5
161.34816	4.9
163.11107	7.1
164.95833	4.7
165.12744	10.6
169.12259	9.4
169.92348	5.2
175.11230	16.3
193.12265	16.8
211.13266	25.4
247.20656	6.5
253.14323	14.4
257.10022	6.8
275.20029	37.3
285.17023	30.4
293.21063	28.4
367.24686	16.2
385.25665	20.6
394.56931	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	385.258
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	5.4
55.01859	14.9
55.05503	44.0
57.03428	27.6
57.07074	8.4
65.03911	6.4
67.05499	100.0
68.20584	3.8
69.03416	9.0
69.07053	23.3
71.04991	10.7
71.08624	6.6
71.74633	5.6
72.08134	5.1
73.02921	3.3
77.67583	3.5
79.05491	54.0
81.03417	13.5
81.07044	86.1
83.04982	22.8
83.08607	21.6
84.08131	3.7
85.02905	4.0
85.06532	14.6
91.05470	87.8
93.07037	55.6
93.25919	4.5
95.04955	48.2
95.08614	38.0
97.06535	13.3
97.10146	7.9
99.04449	4.6
99.08095	4.1
99.67256	4.5
101.02405	3.9
105.07026	68.4
107.04948	13.6
107.08573	46.3
109.06487	17.4
109.10154	44.8
111.04442	8.0
111.08083	4.8
113.06075	3.4
117.07011	16.3
118.98039	3.9
119.08569	31.3
121.06493	5.0
121.10098	17.1
123.08071	14.0
123.11715	10.1
125.09630	14.9
129.07007	12.2
131.08554	22.7
133.06546	5.2
133.10120	78.3
135.08047	14.7
135.11713	12.8
137.06017	4.1
137.09663	7.1
145.10109	8.0
147.11693	23.3
149.02307	4.0
149.09634	15.3
149.13326	5.9
151.11162	59.0
157.10147	9.7
159.11687	6.0
163.11192	7.7
165.09113	6.5
165.12735	18.6
169.10112	3.8
169.12308	7.2
169.85548	3.7
175.11157	14.5
176.14061	4.0
179.10493	5.8
193.12181	19.7
211.13292	26.6
215.12775	4.3
236.59679	4.5
247.20483	5.3
253.14413	7.6
267.16083	7.5
271.15317	7.0
275.20053	27.1
285.16937	34.1
293.21158	23.1
367.24734	16.1
385.09372	4.3
385.25864	21.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.2581
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.2
55.01876	10.2
55.05508	68.2
56.96553	2.3
57.03432	20.3
57.07061	3.2
67.05501	52.2
69.03425	10.4
69.07065	20.0
70.06595	3.1
71.04993	6.5
71.08627	18.5
71.33416	4.5
72.93790	2.3
79.05486	49.8
80.29493	1.8
81.03407	54.2
81.06609	3.2
81.07051	52.5
83.04964	20.7
83.08613	50.2
84.08159	2.0
85.02898	24.0
85.06523	2.7
85.32031	1.8
85.40160	2.2
88.96765	2.4
90.94789	2.6
91.02280	1.9
91.05472	42.0
93.07037	37.2
95.04407	3.3
95.04964	45.1
95.08609	24.1
97.02859	3.8
97.06507	7.4
97.10161	27.4
99.04463	5.5
99.08087	23.1
105.07019	29.9
107.04944	12.0
107.08579	33.2
108.19107	2.1
109.06503	8.2
109.10140	15.3
111.04436	17.2
111.08078	18.3
117.06965	10.0
119.08567	23.1
121.06484	7.9
121.10146	16.6
123.08048	4.4
123.11686	3.0
124.14221	1.9
125.09623	27.9
129.07018	11.6
131.04961	2.6
131.08531	19.1
133.06433	5.7
133.10085	14.2
135.08040	5.8
135.11693	11.2
135.93814	2.1
137.09576	2.4
139.11174	2.9
141.06921	2.6
142.07703	2.5
142.98003	2.1
143.08521	3.6
143.10696	2.6
145.10104	13.1
147.08095	3.7
147.11681	14.2
149.02304	6.8
149.09622	15.5
151.11188	4.4
153.09108	4.2
153.12706	4.9
157.10115	15.4
159.11708	7.3
163.11189	25.7
165.12776	6.9
167.10623	3.7
168.36115	2.3
171.10138	3.0
173.09599	2.9
173.11761	2.5
173.13254	3.7
175.11153	11.1
177.12779	6.6
181.12239	6.7
189.11209	25.4
193.04997	6.1
193.12212	46.7
195.13849	8.8
211.13269	36.1
223.13243	13.5
227.12703	4.7
245.04861	1.9
245.13779	2.4
247.20549	3.2
257.18976	4.3
267.06769	11.9
267.15814	2.6
275.20090	34.3
285.07806	8.8
285.16965	7.2
287.13840	2.4
293.21097	100.0
294.21512	2.2
307.28287	2.2
311.22260	2.7
315.13501	2.3
325.32031	2.3
331.23218	2.0
349.19800	2.7
349.23676	2.5
367.24899	13.0
385.09174	5.6
385.21204	5.0
385.25711	31.4
386.20953	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	385.2579
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79728	1.8
53.03931	6.3
55.01865	14.1
55.05236	4.3
55.05504	87.2
57.03161	2.7
57.03429	37.4
57.07087	2.1
59.05003	2.5
59.48042	1.9
67.05138	3.7
67.05497	67.8
69.03428	10.4
69.07056	25.5
70.06576	2.0
70.29379	4.3
70.29774	4.1
70.84969	1.9
71.04975	10.7
71.08629	26.8
72.29919	1.7
73.06589	1.7
79.05481	58.5
81.03409	86.3
81.07044	65.7
83.04976	29.0
83.08611	59.2
84.08160	1.9
85.02898	54.5
85.06522	5.8
87.91707	2.1
91.05468	52.9
93.07037	43.4
95.04401	3.5
95.04961	51.4
95.08596	28.2
97.02874	5.6
97.06519	12.4
97.10155	30.9
99.08081	22.8
105.07018	42.7
107.04954	12.1
107.08581	36.7
109.06499	9.9
109.10138	20.2
111.04440	16.9
111.08086	24.9
113.06001	4.3
115.05468	3.3
117.07020	9.6
119.08566	33.8
120.08117	2.0
121.06494	5.0
121.10119	22.6
123.08047	8.8
123.11678	3.5
125.09621	31.2
129.07011	13.2
131.08559	22.8
133.06493	5.7
133.10118	18.3
135.08054	9.5
135.11668	8.5
137.05865	2.4
137.09616	3.1
139.11154	2.5
140.23669	1.9
142.07739	4.7
143.10692	2.4
145.06468	2.1
145.10130	11.7
147.08003	5.7
147.11652	20.0
149.02289	5.8
149.09613	14.5
149.13274	2.0
153.09082	7.1
153.12743	5.5
157.10106	20.2
159.11687	6.7
161.09604	2.5
161.13202	3.0
163.11186	18.4
165.09055	3.2
165.12749	7.2
167.07137	2.0
167.10657	6.6
171.10268	3.0
175.11163	25.5
177.12703	4.5
179.29890	2.0
181.12202	3.8
189.11206	25.7
189.12804	2.9
191.10684	5.2
193.04938	3.5
193.12218	93.3
195.13756	7.0
205.12294	2.8
211.13274	77.3
212.57603	2.3
223.13269	9.0
224.48361	2.3
247.20610	5.2
257.19025	3.0
267.15845	3.9
275.20020	19.6
285.16895	16.4
293.21082	100.0
294.21503	4.9
308.61227	2.0
349.23907	3.1
367.24527	2.8
385.08908	5.5
385.13257	3.0
385.25873	59.0
386.25934	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	385.258
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37477	1.5
53.03939	3.9
55.01868	11.1
55.05507	54.6
57.03418	8.9
59.04991	2.3
63.92458	1.6
65.03922	4.6
67.05498	44.6
69.03425	6.9
69.07055	23.7
70.06573	3.3
70.35506	7.5
71.04987	7.5
72.08147	2.6
79.05488	52.0
81.03404	14.8
81.07050	44.7
83.04975	22.1
83.08613	35.1
84.08148	2.8
85.02895	7.3
85.06556	4.6
91.05472	33.7
93.07036	44.8
95.04959	88.5
95.08598	32.6
97.02881	3.2
97.06526	9.0
97.10155	24.8
99.01231	1.8
99.04436	10.3
99.08064	2.4
103.05463	2.2
105.07024	36.5
107.04956	11.5
107.08583	46.9
109.02852	4.4
109.06543	11.4
109.10159	21.0
111.04417	20.5
111.08053	9.9
115.05456	2.9
117.06997	14.8
119.08567	24.2
121.06502	7.4
121.10123	22.0
123.08054	10.1
123.11707	5.2
125.05971	2.1
125.09629	27.8
129.07001	5.2
131.08551	17.1
133.06497	2.5
133.10114	20.5
135.08040	9.4
135.11671	13.2
136.98476	1.7
137.05977	1.9
137.09610	3.2
139.11179	3.7
143.08536	4.5
143.10649	2.1
145.06522	3.2
145.10124	23.2
147.08047	8.0
147.11685	14.8
149.02322	29.6
149.09602	43.4
149.13216	5.0
151.11208	3.1
153.09114	4.3
153.12737	4.0
157.10117	3.5
159.08095	2.2
159.11670	13.0
161.09636	4.3
161.13290	3.4
163.09824	2.8
163.11163	33.7
165.12776	3.0
169.10126	4.9
171.10225	2.7
171.11670	4.0
173.09642	3.2
173.13300	3.9
175.11238	4.5
177.12738	4.5
181.12238	5.2
183.11682	3.6
187.11200	5.9
187.39258	1.7
189.11192	32.7
189.12820	2.3
191.10674	3.4
193.04953	22.3
193.12239	3.6
205.12248	8.7
211.13214	2.4
223.13272	79.4
224.13593	2.4
227.12669	3.2
229.19522	5.2
232.66187	1.8
237.14981	2.5
239.17993	4.3
241.14458	2.2
247.20544	3.4
257.19003	14.0
269.04245	2.3
275.20032	100.0
275.92957	1.8
276.20361	4.2
293.21091	80.4
294.21332	2.9
297.16931	4.3
341.06567	2.4
349.23767	4.3
367.17856	2.3
367.24844	40.5
385.09064	20.7
385.13162	3.0
385.21454	6.3
385.25620	6.1
386.09412	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.2579
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	3.7
55.01869	13.4
55.05506	66.5
55.71991	1.6
57.03437	10.9
59.04998	1.7
60.84834	1.5
65.03931	4.3
67.05499	45.1
69.03409	5.8
69.07059	19.7
69.69824	8.0
69.70245	5.7
71.04972	6.5
71.08628	9.4
79.05488	48.0
81.03403	13.4
81.07051	33.9
83.04964	21.1
83.08607	38.9
85.02907	4.2
85.06522	3.2
91.05474	23.0
93.07038	32.9
95.04958	68.5
95.08591	24.2
97.06499	7.5
97.09580	3.2
97.10157	35.7
99.04404	4.6
99.08086	12.5
105.07030	18.1
107.04971	9.5
107.08580	34.1
109.06492	6.7
109.10142	19.8
111.04424	25.3
111.08057	10.9
117.07001	7.3
119.08582	17.8
121.06466	6.8
121.07298	1.9
121.10136	17.5
123.08040	6.7
123.11677	4.7
125.09613	33.0
129.06955	4.7
131.08574	12.1
133.10106	11.6
135.08061	9.0
135.11702	9.9
137.09572	2.5
139.11153	3.4
145.10114	21.6
147.08055	3.7
147.11671	8.3
149.09615	31.4
151.11172	2.5
153.09102	5.0
153.12744	8.1
155.08630	2.3
159.11674	9.2
161.09612	2.2
161.13181	2.2
163.09950	3.3
163.11177	36.2
167.10657	3.7
169.10075	3.1
171.10144	4.1
171.11588	2.6
173.13243	2.5
175.11186	4.0
177.12721	6.2
181.12190	6.3
187.11198	3.7
189.11192	37.6
191.10646	6.4
193.12244	9.7
195.13800	7.3
197.13286	1.9
205.12314	4.7
211.13289	4.9
219.96530	1.9
223.13287	56.9
224.13754	2.0
227.12727	12.0
229.19438	4.6
239.17996	3.1
247.20619	2.4
257.18939	8.7
263.29395	1.9
267.82092	1.9
275.20047	76.7
275.23053	3.9
276.20410	2.8
293.21078	100.0
294.21408	5.1
297.16977	2.9
311.22198	3.5
312.28015	2.3
349.23663	3.3
367.24771	35.7
385.25873	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	385.258
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98042	2.1
53.03937	9.3
55.01865	28.0
55.05506	100.0
57.03432	30.5
57.07070	4.2
59.04982	4.3
59.81596	2.0
65.03936	4.0
67.05498	91.0
69.03428	14.2
69.07057	33.2
71.01305	2.0
71.04987	9.3
71.08623	31.0
79.05023	3.4
79.05486	72.8
81.03410	26.2
81.07050	90.5
82.07365	2.7
83.04974	35.4
83.08614	59.6
84.08138	3.2
85.02898	6.2
85.06528	8.0
87.04474	2.1
91.05473	47.4
93.07036	59.3
95.01234	2.3
95.04961	52.2
95.08598	39.6
97.06522	12.8
97.10155	65.2
98.20721	6.5
99.04439	7.1
99.08083	22.0
101.09650	2.4
105.07015	39.0
107.04930	15.0
107.08580	56.8
109.06485	13.6
109.10151	33.8
111.04433	28.6
111.08066	19.8
113.08600	2.3
113.09610	2.7
115.05447	2.0
117.07014	17.1
118.19492	2.7
119.08579	28.3
121.06511	9.4
121.10124	26.7
123.08083	7.9
123.11693	5.3
125.05963	3.6
125.09627	74.6
128.51309	2.5
129.06978	5.6
129.20851	1.9
131.08554	21.8
133.06516	4.8
133.10112	19.7
135.08047	17.5
135.11684	20.5
137.09602	3.5
137.13226	3.5
139.11183	9.4
141.06931	3.1
143.08534	3.7
143.10646	2.6
145.06508	4.0
145.10117	27.9
147.08043	4.8
147.11690	17.5
149.02354	4.7
149.09616	21.7
149.13255	5.0
151.07570	2.7
151.11198	8.2
153.09114	13.2
153.12717	10.0
155.08534	3.1
155.10580	3.0
157.10124	5.6
157.12244	2.6
157.77690	2.1
159.11687	9.5
161.09625	7.5
161.13277	3.4
163.11174	44.9
165.09123	4.2
165.12714	8.5
167.10710	5.4
169.10117	2.8
171.10243	4.6
173.09645	5.0
173.11824	10.4
173.13153	4.6
175.11150	4.5
177.12715	11.3
179.10707	2.3
181.12195	12.2
185.13243	2.6
187.11180	3.1
189.11200	77.1
190.11635	2.2
191.10675	9.0
191.14307	2.2
193.05008	3.3
193.12257	9.8
195.13739	12.5
201.12859	2.1
211.13326	5.6
215.14204	2.6
223.13225	18.5
227.12735	22.3
229.14381	6.5
229.19574	4.0
239.17928	3.7
245.04849	2.2
245.13899	2.7
247.20604	6.0
257.19052	10.8
258.19510	2.5
265.21704	4.3
275.20029	59.0
293.21082	95.9
311.21994	4.4
349.23941	4.3
353.22076	2.0
367.25040	18.9
385.09204	4.3
385.26001	34.1
386.92334	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	385.2581
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	8.7
55.01857	17.3
55.05510	44.0
57.03444	13.5
57.07064	10.7
63.91579	4.1
65.03925	4.4
67.05497	83.4
69.07072	24.2
70.72845	4.0
71.04986	8.8
71.08617	8.8
71.12276	8.1
71.12624	7.4
73.66683	4.1
74.62008	3.6
79.05482	70.1
81.03428	11.2
81.07052	100.0
83.04973	16.6
83.08609	27.2
85.06525	9.3
85.10163	4.6
86.90060	4.4
91.05470	72.8
93.07034	54.7
95.04956	40.8
95.08602	40.6
97.02857	5.6
97.06516	12.2
97.10168	16.9
99.08149	7.3
103.05404	5.0
105.07034	60.0
107.04933	14.7
107.08586	47.9
109.06506	19.1
109.10159	44.2
110.26067	4.7
111.04408	11.3
111.08069	7.7
113.09594	5.4
115.05430	5.0
117.07021	11.7
119.08566	23.7
121.06516	10.4
121.10155	20.8
123.08098	7.5
123.11694	13.0
123.96781	4.1
125.09593	14.5
129.06996	13.0
131.08553	23.6
133.10115	68.3
135.08026	15.3
135.11693	14.8
137.09570	8.6
144.64432	4.6
145.10118	13.2
147.11676	21.7
149.02364	12.3
149.09619	17.2
151.11166	38.0
155.08543	5.1
157.10114	12.5
159.11732	6.6
161.09576	7.3
163.11185	9.3
165.12746	13.5
169.12219	6.5
171.11667	5.2
175.11169	19.2
177.12675	8.6
181.12222	4.4
191.14246	4.8
193.04897	7.3
193.12257	19.0
205.12383	5.8
211.13300	18.7
220.02222	4.7
247.20619	14.4
253.14355	12.8
257.18997	11.2
265.21829	7.0
267.15915	4.9
271.14960	5.6
275.20108	44.9
285.16925	34.1
293.21149	55.6
320.16754	4.9
349.23730	10.1
365.14172	6.4
367.25024	34.5
385.08771	8.0
385.25732	9.7
385.49368	4.3
386.22919	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	385.2137
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.4
55.01853	12.1
55.05506	58.8
55.14305	2.4
57.03429	22.9
57.07068	4.1
65.03938	3.9
67.05499	72.2
67.45824	2.3
69.03416	4.9
69.07065	25.5
69.80695	5.7
69.81095	14.5
71.04981	5.8
71.08636	12.9
74.27727	2.2
79.05486	57.8
81.03414	8.7
81.07048	60.8
83.04973	11.0
83.08604	32.2
85.02872	3.3
85.06541	4.4
91.05470	60.4
93.07029	61.2
95.04964	23.3
95.08598	36.1
97.06517	12.5
97.10153	10.5
99.08092	8.2
105.07021	43.8
107.04934	17.0
107.08581	34.0
107.70364	2.2
109.06529	9.5
109.10150	26.5
111.08064	11.6
117.06995	22.0
119.08565	32.9
121.06483	14.2
121.10135	29.8
123.08066	4.5
123.11707	3.0
125.09565	12.1
128.06216	2.8
129.07004	7.3
130.07770	4.3
131.08548	26.5
133.06461	4.4
133.10107	34.2
135.08017	7.8
135.11693	18.2
137.09639	7.2
143.08559	5.2
145.10097	30.4
147.08105	2.8
147.11678	19.5
149.09593	28.7
149.13225	3.8
151.11212	7.1
155.08588	2.8
157.10129	7.4
159.11697	18.4
161.09590	3.8
161.13235	6.4
163.11156	30.7
165.12694	3.6
169.10176	3.5
171.11664	5.1
173.09624	3.7
173.13258	6.6
175.11211	4.6
175.14839	4.2
177.12735	7.9
183.11649	4.4
189.11205	5.2
193.12169	3.4
197.13283	5.8
221.47864	2.4
224.43999	2.4
229.19453	2.8
239.18030	5.0
247.20474	5.1
247.22835	2.6
257.19031	12.9
275.20032	55.2
293.17566	5.0
293.21075	100.0
311.17584	20.2
349.16977	2.4
349.24060	3.9
367.24951	25.5
385.08926	3.7
385.21112	39.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.2581
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47617	4.1
53.03919	4.5
53.53061	4.0
55.01854	19.3
55.05509	58.5
57.03420	19.9
57.07062	6.5
67.05495	65.0
67.08818	4.7
69.03418	9.3
69.07062	26.5
70.06606	5.4
71.04980	6.5
71.08618	9.7
79.05486	56.4
81.03395	18.6
81.06607	8.5
81.07050	100.0
83.04957	16.4
83.08603	24.3
85.02921	6.2
85.06545	8.2
87.04417	6.8
91.05473	80.5
93.07037	58.6
95.04963	38.9
95.08597	39.8
97.06518	11.2
97.10167	9.2
99.08084	6.0
105.07033	56.8
107.04931	21.5
107.08580	37.2
109.06493	15.9
109.10146	34.7
111.04422	6.5
111.08097	5.1
117.07031	11.8
119.08576	22.0
121.06545	9.0
121.10123	18.0
123.08079	6.1
123.11678	11.6
125.09602	13.6
129.06966	14.0
131.08556	21.6
133.06477	10.2
133.10121	65.2
135.08032	10.4
135.11653	12.8
137.09627	8.0
145.10129	7.3
147.08040	5.7
147.11653	19.4
149.02330	8.2
149.09592	14.0
151.11180	30.4
157.10097	9.3
163.11165	13.0
165.12700	16.5
169.12337	4.8
173.13277	6.3
175.11221	12.7
177.12746	6.1
193.04994	9.5
193.12215	28.6
211.13242	26.9
247.20514	5.9
257.18958	6.3
267.15857	10.9
275.20016	30.8
275.22662	4.7
285.16931	39.4
293.21088	94.1
367.25143	33.9
378.85269	4.7
385.23901	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	385.2003
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	2.2
55.01861	8.7
55.05275	2.4
55.05510	35.6
57.07061	3.3
59.04995	1.9
59.93118	1.6
62.52091	1.9
65.03923	5.8
67.05497	37.1
69.03413	7.3
69.07065	16.3
69.29809	1.7
71.01334	7.4
71.04967	3.8
71.73209	2.2
71.73582	2.0
79.05489	31.0
81.03418	8.7
81.07051	40.1
83.01324	8.1
83.04972	6.7
83.08602	9.4
91.05471	42.7
93.03355	1.7
93.07037	24.1
95.04967	15.9
95.08601	26.3
97.02882	6.2
97.06544	3.7
97.10173	3.8
99.08077	3.3
103.05476	12.5
105.03397	3.9
105.07021	31.4
107.04961	10.6
107.08572	11.1
109.02859	2.8
109.06494	6.9
109.10141	6.4
111.04430	2.9
111.08068	2.3
115.05453	17.2
117.07001	29.6
119.04921	8.9
119.08568	18.5
121.06501	4.5
121.10172	10.5
123.04408	2.2
123.08024	2.9
125.02339	15.4
125.09679	2.3
128.06197	11.4
129.06996	22.2
130.07718	3.7
130.08582	1.8
131.04913	42.3
131.08560	24.5
132.08932	2.0
133.06465	11.7
133.10135	12.3
135.04410	7.7
135.08023	4.5
135.11693	6.7
137.02306	2.0
137.09549	3.5
139.03868	4.2
141.06927	11.8
142.07750	7.4
143.04900	7.3
143.08557	20.6
144.05650	4.7
145.06470	34.3
145.10104	18.0
145.81598	1.8
147.04401	8.3
147.08026	4.3
147.11668	5.5
149.02322	20.6
149.09605	6.8
151.03966	2.6
153.06960	6.3
154.07748	3.4
155.08533	15.9
157.06462	18.2
157.10126	15.3
159.04408	31.0
159.08029	19.8
159.11646	10.1
160.05037	2.7
161.05963	8.9
161.09593	5.6
161.13269	2.1
163.03894	38.5
163.07520	2.3
163.11099	4.6
165.06932	3.4
166.07819	2.0
167.03374	4.2
167.08522	6.5
168.09363	2.7
169.06468	6.0
169.10136	11.2
170.07169	2.2
171.04437	10.8
171.08038	12.6
171.11668	7.7
173.05998	17.1
173.09628	13.2
173.13181	3.4
175.03931	16.3
175.07562	6.5
177.05441	7.9
178.07733	2.8
179.08527	3.2
180.09343	3.0
181.04942	6.5
181.06351	3.3
181.10130	7.9
183.08047	7.1
183.11623	6.3
184.05247	2.7
185.05951	10.6
185.09590	11.0
185.13269	6.8
187.03897	61.8
187.07469	12.3
187.11157	3.8
187.14801	4.4
188.04448	2.0
189.05475	25.3
189.09196	2.0
191.06985	3.2
195.07986	7.7
195.11684	7.3
197.05931	6.2
197.09621	6.5
197.13261	5.1
199.03891	97.2
199.07593	10.5
199.11168	7.9
199.14810	3.1
200.04306	5.0
201.05447	35.4
201.09102	7.7
201.12759	2.7
201.16580	2.3
203.07001	20.6
205.08504	2.6
207.11678	2.2
209.09607	6.4
209.13263	5.6
211.07527	5.9
211.11069	4.7
211.14806	2.3
212.04674	3.1
213.05460	51.8
213.07362	3.5
213.09064	7.9
213.12686	4.4
214.05963	5.2
215.07001	25.8
215.10628	4.1
217.04948	16.7
217.08559	15.8
221.13210	2.0
223.07542	2.9
223.11096	8.0
225.05495	15.3
225.09081	7.4
225.12653	1.9
226.06204	2.7
227.06985	28.4
227.10594	6.1
229.05067	2.2
229.08556	25.0
229.12117	2.5
231.06543	2.8
231.10110	5.1
237.05504	4.9
237.09131	4.3
237.12732	3.0
237.16354	2.7
239.07059	12.5
239.10654	2.9
241.08563	41.2
241.12268	5.3
242.08875	2.3
243.10182	22.0
251.07080	5.0
251.10692	2.2
253.08603	8.7
255.10205	18.8
255.12878	2.2
255.13818	2.2
255.17303	3.6
257.11761	4.4
265.08560	1.9
265.12311	2.1
267.10071	10.1
269.11673	11.3
271.13062	3.3
275.19958	3.8
279.10089	3.1
279.17502	2.4
281.11743	4.7
283.13257	10.3
293.11734	14.0
297.15121	2.8
297.18521	8.0
311.12762	67.6
312.13101	2.1
321.18628	3.1
323.16110	2.6
325.21466	2.5
329.13797	11.0
331.16196	3.2
339.19473	9.1
339.23233	3.9
341.17270	2.7
349.17941	25.6
349.21695	4.4
367.18900	100.0
367.22818	18.7
368.19385	4.4
385.19925	30.7
385.23862	29.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1492
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	1.2
51.09961	0.6
53.03941	12.5
54.33924	0.7
55.01857	1.8
55.05493	1.0
57.03198	0.6
57.03436	4.9
59.95358	0.7
60.05650	0.9
65.03898	0.7
67.05474	1.7
69.03416	3.1
70.06590	7.0
70.70094	2.3
71.04987	8.2
72.08155	1.5
79.05486	8.0
81.03410	49.0
81.07011	0.7
82.03730	0.7
83.04982	5.6
84.04490	1.1
84.08131	3.3
85.02893	1.2
86.09681	1.1
91.05470	17.9
93.07033	14.5
95.04952	2.0
97.02865	0.7
99.04446	37.9
105.07021	3.2
107.04961	4.5
107.08580	9.4
109.02865	25.1
109.06491	1.1
110.07148	1.2
115.05444	3.0
116.07112	0.8
117.07005	100.0
118.07318	1.2
119.08565	6.8
120.08100	0.8
121.06494	8.1
121.10138	3.7
123.04445	1.3
125.05989	1.1
127.03915	6.8
129.07005	0.8
129.10248	0.9
131.08559	17.5
133.06500	1.8
133.10107	1.6
135.04440	0.8
135.08041	21.5
136.06171	0.8
136.50514	0.7
137.05977	2.0
145.04906	3.9
145.06479	2.2
149.09619	14.3
153.05463	2.1
153.09076	1.3
159.08046	8.5
161.05984	1.9
161.09593	1.2
163.07520	23.1
177.09091	24.5
181.08614	1.4
186.66440	0.6
187.07532	2.6
195.10153	26.6
205.08589	15.5
223.09624	7.5
237.02837	1.1
241.10695	7.1
243.08623	9.8
339.79117	0.7
367.13818	2.9
385.14902	42.0
386.15469	1.6
392.92999	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1278
Annotation	4'-Demethyldeoxypodophyllotoxin
Peak:m/z	Relative Intensity
55.01852	2.1
55.05508	1.0
56.86408	0.7
56.96544	0.8
57.03422	1.2
59.04833	0.6
65.03920	3.0
67.05479	0.7
70.06568	2.0
71.03903	2.2
79.05487	1.1
81.07026	0.9
84.08150	0.8
91.05450	1.7
95.04987	1.6
97.32375	0.7
103.05426	1.0
105.06994	1.4
110.03691	1.1
111.04421	2.4
115.05458	1.3
117.06950	0.9
123.04384	0.7
125.05984	2.5
129.06981	0.8
131.04947	2.2
135.04378	0.7
137.05957	2.5
145.06424	1.7
146.03708	0.8
149.02325	5.5
151.03889	1.6
152.06143	1.2
153.05450	2.9
153.06989	1.3
161.05969	1.3
163.03845	1.2
165.07022	3.3
166.07767	1.3
167.08513	1.4
175.21030	0.7
178.07803	3.1
179.08568	3.1
180.09332	0.7
181.06516	2.4
182.07280	1.5
187.07640	0.7
189.07002	2.7
190.07726	2.0
191.07069	1.0
191.08603	2.8
193.04965	4.9
193.06465	1.5
194.07301	3.3
195.07993	3.7
197.09731	0.9
198.06787	0.8
199.07686	0.8
202.07805	1.9
203.08618	1.9
205.06551	3.2
206.07280	2.2
207.07982	5.5
208.05219	0.9
208.08847	1.9
209.06052	1.8
209.09645	1.5
210.06758	1.6
211.07571	2.6
213.09084	0.8
218.07117	3.5
219.07976	5.4
220.08865	1.2
221.06055	3.4
221.09549	2.2
222.06750	3.2
223.07545	3.0
224.08295	1.8
225.09120	2.5
226.06197	0.9
227.06958	1.3
231.08127	1.4
232.08702	1.0
233.05894	1.3
233.09639	1.5
234.06778	3.0
235.07510	7.8
236.04414	0.7
236.08270	3.8
237.05516	1.2
237.09058	4.8
238.06245	1.7
238.09889	0.8
239.06992	3.6
239.10608	1.7
240.07655	1.0
241.08516	1.1
246.06801	1.1
247.07468	4.4
248.08212	3.3
249.05376	2.0
249.09082	5.1
250.06219	2.2
250.09726	1.7
251.07065	6.6
251.10638	1.9
252.07823	2.2
253.08513	3.3
254.09264	1.3
255.10114	1.0
256.07443	1.2
261.05383	0.9
261.09137	2.1
262.06195	1.4
263.07022	4.3
263.10751	0.9
264.07761	5.2
265.08533	5.7
266.09299	1.8
267.06613	2.0
267.10178	4.7
268.07574	1.1
268.10727	1.0
269.08411	0.8
274.06378	0.9
275.07010	1.0
276.07773	2.0
277.08597	3.2
278.09256	2.4
279.06656	2.0
279.10193	5.5
280.07352	1.5
280.10568	0.7
281.08078	4.2
281.11432	0.7
282.08850	1.7
283.09677	1.3
291.06589	0.9
291.10300	1.3
292.07358	0.8
293.08044	2.1
293.11517	0.9
294.08987	0.8
295.09659	3.4
297.11127	1.6
299.09369	0.8
305.07922	1.1
306.08511	0.9
307.06009	1.4
307.09622	27.9
308.10129	2.1
309.07791	1.4
309.11206	3.6
310.08356	0.9
313.10657	1.8
323.09143	4.9
324.09915	2.0
325.10706	5.2
335.08936	0.8
337.10617	2.2
339.12280	2.5
340.09531	1.2
348.50940	0.7
349.11572	0.7
353.10434	0.9
355.11700	2.2
357.13303	1.4
370.10428	0.9
385.12827	100.0
386.13153	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	385.1279
Annotation	4'-Demethyldeoxypodophyllotoxin
Peak:m/z	Relative Intensity
54.74263	0.5
55.01863	1.4
56.96564	0.7
57.03436	0.7
65.03925	2.8
67.05493	0.7
69.03416	0.6
70.06572	1.0
71.03941	1.1
71.04307	1.2
79.05489	0.8
81.03417	0.7
81.07039	0.6
82.04201	0.5
85.02900	0.8
86.09720	0.8
91.05473	1.5
93.03456	0.6
93.07045	0.6
95.04955	1.3
103.05465	0.9
105.07021	0.8
107.04919	0.9
110.03677	1.3
111.04440	1.9
119.04885	0.6
121.02859	0.9
121.06468	0.5
125.05987	2.1
129.06961	0.6
131.04912	1.8
133.02870	0.5
133.06393	0.5
135.04385	0.6
137.05954	2.0
141.06998	0.6
145.06511	1.0
149.02335	2.7
149.05920	0.6
151.03886	1.2
152.06195	0.9
153.05458	3.0
153.06877	0.9
155.08571	0.7
159.08031	0.7
161.05949	0.7
165.07033	3.6
166.07759	1.2
167.08586	1.6
169.06406	0.9
170.03722	0.6
175.07555	1.4
177.05556	0.7
177.06989	0.8
178.07841	3.4
179.08470	3.3
181.05017	0.9
181.06499	2.2
182.07317	1.3
183.06528	0.7
185.05984	1.5
187.07602	0.9
189.07005	2.3
190.07768	2.4
191.08565	2.9
192.05797	0.5
193.04930	2.9
193.06543	1.9
194.07295	2.4
195.08069	2.8
196.08870	1.4
197.09599	0.8
198.06708	1.1
202.07732	1.3
203.08519	1.7
205.06488	1.8
206.07253	1.9
207.08038	3.9
208.05209	0.7
208.08842	2.0
209.05962	1.9
209.09518	1.3
210.06816	1.5
211.07562	3.3
212.08238	0.7
213.09070	0.8
218.07265	3.3
219.08029	4.6
220.08833	2.1
221.05978	3.7
221.09537	2.2
222.06801	2.7
223.07553	3.5
224.04845	0.6
224.08347	2.2
225.09164	2.9
226.06256	0.9
227.07120	0.9
231.08179	2.4
232.08792	1.2
233.06050	1.3
233.09688	1.1
234.06659	2.4
235.07533	6.6
236.04613	0.8
236.08293	3.5
237.05421	1.5
237.09167	3.9
238.06270	1.5
238.09784	0.9
239.06999	3.2
239.10643	1.6
241.08604	1.0
246.06781	1.1
247.07420	3.7
248.08372	2.6
249.05447	1.9
249.09128	3.8
250.06265	1.8
250.09782	1.1
251.07045	4.7
251.10681	1.9
252.07761	3.2
253.08591	3.5
254.09412	1.5
255.10091	1.2
259.07526	1.0
260.08231	1.1
261.09091	1.8
263.07010	4.0
263.10623	0.9
264.07852	4.3
265.08597	6.0
266.05777	1.2
266.09241	1.6
267.06799	1.2
267.10159	4.2
269.08163	0.9
274.06277	1.4
275.07080	1.6
276.07654	1.4
277.05106	0.6
277.08530	2.9
278.09393	2.2
279.06830	1.3
279.10178	4.5
280.07251	1.7
280.10669	0.9
281.08038	4.3
282.08850	2.2
283.09756	1.4
289.08585	0.9
291.06470	1.3
291.09958	1.0
292.07373	1.5
293.08047	2.0
293.11386	0.8
294.08810	0.7
295.09567	5.2
296.10349	0.8
297.11292	2.0
299.09250	0.9
305.07919	0.7
307.06061	1.3
307.09625	24.9
308.10159	1.4
309.07724	1.1
309.11124	3.5
310.08386	0.7
311.09177	1.0
313.10681	1.3
323.09067	6.7
324.09821	0.9
325.10675	4.4
337.10745	2.1
338.11285	0.9
339.12183	3.3
340.09375	0.8
353.09998	0.6
355.11682	3.9
356.12515	0.8
357.13351	2.0
367.11624	1.5
367.15720	0.9
385.12808	100.0
386.13281	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	385.1278
Annotation	4'-Demethyldeoxypodophyllotoxin
Peak:m/z	Relative Intensity
55.01855	1.6
63.75817	0.8
65.03927	1.6
67.05520	1.5
70.06570	1.2
70.26671	2.3
70.27063	1.6
78.36086	0.9
79.05471	1.6
81.07011	0.9
84.08127	1.7
86.09693	1.0
91.05469	1.8
95.04951	1.6
95.25819	0.9
98.87231	1.0
100.11240	2.1
103.05479	1.0
106.59489	1.0
110.03648	1.4
111.04446	2.2
115.05449	1.0
119.04908	0.9
121.02882	1.3
125.05943	1.3
129.68741	1.0
131.04942	2.5
137.05946	2.1
151.03900	1.5
152.06226	1.1
153.05481	2.8
156.13812	1.2
161.05988	1.4
165.07001	3.4
167.08495	1.4
171.20099	0.9
178.07756	2.5
179.08545	3.7
181.06416	2.3
181.18738	0.9
182.07216	1.1
183.08121	1.3
184.13252	1.3
189.06944	1.8
190.07741	2.2
191.08565	2.0
193.06505	1.2
194.07292	3.2
195.07994	2.7
202.07730	1.7
203.08466	1.2
205.06499	2.1
206.07159	2.0
207.08023	2.9
208.08800	2.2
209.06020	1.6
209.09651	2.0
210.06738	1.8
211.07481	3.0
218.07359	2.3
219.07970	4.4
220.08743	1.5
221.05931	3.4
221.09537	1.0
222.06726	2.7
223.07520	2.1
224.08244	3.1
225.09102	2.9
231.08023	1.6
234.06714	2.8
235.07536	8.9
236.08269	3.7
237.05473	1.5
237.08998	2.8
238.06207	1.7
239.07089	2.2
239.10555	1.0
246.06764	1.5
247.07520	3.8
248.08357	2.0
249.09181	3.0
250.06247	2.2
250.09729	1.7
251.07059	4.1
252.07793	1.5
253.08583	3.6
254.09291	1.5
255.10170	1.7
259.07565	1.0
261.09052	1.9
262.06180	1.1
263.07080	2.9
264.07813	3.7
265.08704	6.1
266.09247	1.8
267.10168	3.3
274.06232	1.0
275.07184	1.3
276.07800	2.0
277.08704	1.9
278.09442	2.2
279.06805	1.6
279.10162	6.8
280.07248	2.8
280.10690	1.2
281.08035	3.8
282.08621	1.3
283.09616	2.1
291.10147	1.0
293.08057	2.1
293.11838	0.9
294.08792	2.2
295.06494	1.0
295.09677	3.3
296.10092	1.1
297.11169	2.6
299.12943	1.3
305.07953	1.1
307.09622	26.6
308.10095	3.2
309.11157	2.6
310.08295	1.8
311.08990	1.1
313.10648	1.4
323.09048	6.1
325.10669	3.7
331.09384	1.1
337.10672	1.1
338.11404	1.5
339.12347	4.0
353.10181	1.2
355.11722	3.9
357.13318	3.0
367.11523	2.1
385.12790	100.0
386.13150	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	385.1128
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	5.7
56.96548	1.8
57.03447	1.7
57.61798	1.2
60.07656	1.4
61.02921	4.0
69.03420	8.0
70.06606	8.6
71.71468	2.1
72.04510	2.2
72.08163	3.3
73.02892	2.2
78.04710	1.4
79.05489	8.2
81.03415	3.3
81.97677	1.3
82.12186	1.4
84.04508	1.6
84.08128	3.2
85.02902	12.4
86.09700	2.4
88.02216	2.7
90.05578	6.4
91.05482	5.0
95.01293	2.0
95.04967	4.2
97.02881	7.9
98.97627	1.7
99.04477	1.8
100.04008	1.6
102.42607	1.2
103.05449	6.0
105.07019	50.7
106.06551	8.8
107.04943	9.6
109.02892	3.2
110.07140	2.4
111.04481	1.5
115.05467	9.5
117.07001	2.2
118.04148	3.7
118.06493	1.7
118.96631	1.2
119.04930	3.1
123.04446	6.4
127.03938	3.1
129.06953	1.6
131.04895	3.4
132.05827	2.5
132.06854	12.2
132.08023	13.7
133.06479	49.3
134.02695	4.5
134.03676	1.4
134.06000	2.1
135.08025	2.0
136.06183	6.5
137.05905	1.7
139.03902	1.5
140.04655	2.1
143.04910	2.0
143.06013	2.7
145.06499	4.7
147.04405	4.8
148.04794	2.4
151.03911	4.6
155.07039	3.5
157.06474	1.6
159.07936	2.2
159.09160	19.1
161.05968	89.8
162.06335	3.9
162.07718	3.2
163.07658	1.9
167.07024	21.9
173.06007	4.0
175.03911	2.5
175.07512	1.8
177.10268	3.7
178.08691	2.0
181.04944	3.0
183.06531	4.0
187.07410	1.7
191.07071	2.7
192.05276	2.2
193.08586	57.2
201.05566	2.8
203.07004	1.9
205.08337	2.3
205.09958	3.2
207.06567	6.2
215.06979	2.1
219.06577	3.5
220.07523	1.5
221.08072	1.8
223.10767	100.0
224.11105	2.1
231.06534	4.4
233.04384	5.3
233.08078	3.2
235.06326	1.4
245.08165	1.4
247.05968	1.9
249.07527	2.3
251.09146	22.8
252.07281	4.7
253.07619	9.9
261.07556	10.4
263.09073	2.8
275.08975	3.8
279.08591	1.6
287.08948	1.5
289.06967	3.4
293.10168	3.6
305.09964	1.4
307.08179	3.6
313.05292	1.5
367.10278	1.8
385.12250	2.7
385.16122	38.5
385.25574	5.5
386.07751	1.9
404.08884	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	384.3579
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59254	0.4
55.01873	0.6
55.05492	2.6
57.07066	2.7
58.06592	4.2
67.05502	9.5
69.07058	2.2
70.06572	0.7
71.08610	1.5
71.72984	0.7
71.73380	0.7
79.05465	1.9
81.03401	0.5
81.07047	16.1
83.04955	0.6
83.08598	1.4
84.08118	0.5
85.06565	0.6
85.10158	0.5
90.44901	0.5
91.05460	2.1
93.07023	1.9
95.04960	1.0
95.08595	31.5
97.06507	0.7
97.10147	2.3
98.09647	0.7
99.75459	0.4
105.07011	1.8
106.07294	0.5
107.08577	1.3
109.10135	1.7
110.10484	0.6
111.04419	0.6
111.08054	0.4
113.09612	1.8
116.97890	0.5
117.07014	1.1
119.08551	1.4
121.10102	0.8
123.11694	16.0
125.09660	0.6
133.10104	0.7
137.09645	0.5
141.12753	0.6
142.12209	0.9
145.10080	0.6
159.11694	0.9
163.11171	0.6
169.16956	0.5
170.15382	72.1
171.15691	1.3
187.03841	0.6
188.06033	0.4
191.10545	0.4
197.20082	1.0
198.18509	69.1
199.18777	1.6
226.22859	1.1
272.26926	0.7
275.20105	0.9
292.19864	0.9
293.21100	1.1
366.34833	0.9
367.19034	1.2
367.33444	0.7
384.35794	100.0
385.36011	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	384.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	1.5
55.25814	0.5
56.05019	1.6
57.03427	0.6
58.06580	0.4
67.05490	1.9
68.05013	1.4
68.62212	0.4
69.03423	1.1
69.07047	0.7
70.06589	4.0
71.04977	0.6
71.14743	0.8
71.22570	0.5
72.08147	3.4
79.05489	1.6
80.04993	1.8
81.03419	2.7
81.04539	2.2
81.07048	2.2
82.05308	1.6
83.05002	1.1
83.06100	11.5
83.08617	0.9
84.04488	1.0
84.08135	3.0
85.02911	2.9
86.09701	1.2
91.05466	4.2
93.04526	5.1
93.07022	1.2
95.04964	1.3
95.06086	15.9
95.08594	1.3
97.02863	0.9
97.07639	0.5
97.10157	0.7
105.04507	0.6
105.07028	1.2
106.06539	0.5
107.04969	0.9
107.06071	6.2
107.08587	1.0
109.02867	0.7
109.06377	1.0
109.07601	0.9
109.10139	0.5
110.07157	46.4
111.05571	2.2
111.07484	0.5
112.08710	1.7
113.07119	1.8
119.06045	1.2
119.08524	0.7
120.05584	1.9
120.08102	1.2
121.07598	2.6
121.10177	0.8
122.05887	0.5
122.07113	1.2
122.08416	0.5
123.07944	0.5
123.09192	0.8
125.09644	0.5
128.07100	0.6
129.10188	1.1
131.06052	3.3
132.06804	0.7
133.07634	2.7
134.07086	0.5
135.09143	0.6
136.07585	0.7
137.05998	0.8
142.03207	0.5
146.07162	0.5
147.04485	0.6
147.11668	0.5
148.08673	1.8
150.10258	1.2
156.07657	4.0
157.10124	0.5
159.07971	0.5
166.08699	0.5
175.08591	0.5
222.07860	0.5
222.11217	0.5
238.05301	1.3
239.15862	0.4
247.18031	0.7
257.16537	1.7
261.12305	0.4
275.17532	3.7
284.17545	1.5
285.15842	2.3
292.20151	0.9
293.18573	13.5
300.05710	0.6
302.18570	3.3
305.18619	0.5
311.19684	0.5
320.19635	7.3
321.17963	0.9
323.19669	1.4
338.20734	29.9
339.19608	0.8
339.69730	0.5
340.22287	1.2
352.25833	0.7
366.20294	5.9
384.21268	100.0
385.21625	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	384.2014
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	5.7
55.01850	2.9
55.05505	8.5
56.05018	2.3
57.03420	2.8
57.07059	1.8
59.04966	1.1
60.04488	1.2
65.03931	1.7
67.05136	2.2
67.05499	38.3
68.05013	3.2
69.03425	11.7
69.07056	10.5
69.78365	6.7
70.02943	8.6
70.06561	3.3
71.04983	4.8
72.04492	4.0
73.02893	1.7
79.05484	27.7
80.05000	3.6
81.03411	22.2
81.07047	49.2
82.02923	1.5
83.03683	1.2
83.04963	4.2
83.08617	9.3
84.04492	10.9
84.08103	1.6
85.02888	12.6
91.05466	20.6
93.07037	39.0
94.06574	1.4
95.04938	5.4
95.08593	12.6
95.56527	1.0
96.03922	1.6
96.04478	16.2
97.02878	26.2
97.06506	6.8
98.06061	5.9
98.21415	2.1
99.04469	5.6
99.08080	3.0
100.03979	1.3
103.03939	1.7
105.07014	9.9
106.06549	2.1
107.04929	3.2
107.08580	22.2
108.04471	12.9
108.08098	1.3
109.02872	14.7
109.05261	1.5
109.06496	3.1
109.10110	2.8
110.02441	1.0
110.06028	4.5
111.08046	4.0
113.44579	1.0
117.07001	11.4
119.08563	4.3
120.04457	9.0
120.08124	2.0
121.02850	1.7
121.06493	3.5
121.10119	11.2
122.05997	4.9
123.07992	1.3
123.11702	8.2
124.03912	4.5
124.07569	2.8
126.05510	18.7
127.03915	12.9
129.06935	1.1
129.25566	1.2
131.04881	1.1
131.08572	8.1
132.08002	1.4
133.10101	12.3
134.06003	8.3
135.08011	2.6
135.11670	10.8
136.07545	3.8
137.05959	4.7
138.05453	3.0
138.09125	1.5
141.06923	1.4
144.06531	4.7
145.04955	1.0
145.06544	1.4
145.10130	9.1
147.07864	1.0
148.07573	6.9
149.09537	1.5
149.13246	24.8
150.05446	1.1
150.09131	2.1
152.07057	1.8
158.09572	1.0
159.11694	16.5
162.09097	3.8
163.11157	12.1
167.14243	2.3
169.10152	1.6
171.11591	1.9
176.14296	1.9
177.12753	8.9
186.12717	2.4
187.11095	2.2
194.05322	1.1
194.15392	1.4
195.13791	37.9
204.13841	5.3
213.14841	8.3
218.15332	8.9
222.14838	5.2
223.13316	4.4
228.13838	4.1
235.73405	1.0
240.15924	15.2
246.14890	37.8
264.15927	17.4
281.16846	5.6
282.17087	2.2
288.15964	4.8
295.09665	1.2
302.17679	1.4
306.16977	7.9
309.16379	2.1
320.18481	3.7
323.09210	1.6
327.12402	1.2
330.17032	3.2
339.17905	1.4
348.18024	35.4
355.11819	3.7
366.14423	2.2
366.19073	40.2
367.15417	2.0
367.19516	2.4
384.20087	100.0
385.12888	2.4
385.20554	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	384.2014
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.4
54.03463	1.2
55.01865	3.2
55.05502	7.8
56.05043	1.5
57.03432	2.7
57.07071	1.8
59.04985	2.5
60.04542	1.1
60.92347	0.9
61.02922	1.0
63.51406	0.8
65.03949	1.5
67.05499	30.8
68.05023	1.5
69.03424	7.8
69.07056	7.8
69.78220	6.4
70.02948	10.6
70.06579	2.1
70.09270	0.9
71.04989	3.3
72.04512	3.2
73.02927	1.2
74.93697	0.9
78.94830	0.9
79.05489	27.3
80.05029	3.5
81.03413	14.0
81.07047	38.3
82.02948	1.3
82.06560	1.0
83.04977	2.9
83.08604	6.2
84.04498	11.9
85.02908	10.9
85.06536	1.9
91.05472	19.6
93.07034	27.3
94.06570	3.5
95.04979	5.0
95.08594	12.0
96.04478	15.7
97.02884	14.3
97.06525	4.4
98.06048	3.0
99.04441	2.2
99.08075	1.2
100.03974	1.6
103.03938	2.8
105.07007	9.5
106.06552	2.1
107.04980	1.1
107.08578	19.5
108.04468	15.7
108.08109	1.6
109.02859	7.2
109.05269	2.8
109.06524	2.1
109.10154	3.2
110.02439	0.9
110.06025	5.9
111.08057	2.2
117.06997	8.4
119.08583	3.7
120.04433	8.3
120.08109	3.2
121.06518	3.0
121.10153	6.0
122.06023	5.8
123.08069	1.3
123.11719	4.2
124.03912	5.0
124.07590	3.8
126.05508	12.5
127.03911	7.5
129.06976	1.6
131.08562	5.9
133.08443	0.9
133.10086	7.8
134.05984	11.4
134.09634	1.5
135.08054	1.4
135.11681	10.7
136.03958	2.2
136.07587	4.8
137.05971	8.4
138.05508	3.2
138.09149	1.1
141.06877	1.1
143.08542	1.9
144.06540	2.8
145.04945	0.9
145.10126	12.8
146.06000	1.2
147.11697	1.2
148.07596	8.4
149.13237	14.9
150.09175	2.5
151.03905	1.0
151.11179	2.1
152.07050	1.7
159.11685	13.3
160.07530	1.7
162.09172	4.1
163.11166	13.2
163.73062	0.9
168.13936	0.9
169.10152	1.6
171.11691	1.9
173.13284	1.1
176.07047	1.1
177.12732	7.5
186.12799	1.5
187.11259	1.1
195.13780	27.6
196.14320	0.9
200.14192	1.1
202.41618	1.2
204.13870	3.0
205.12233	1.0
213.14874	6.3
218.15355	8.8
222.14932	2.8
223.13356	3.6
228.13840	5.4
240.15900	9.8
246.14854	50.8
247.15184	1.2
257.27744	0.9
264.15955	20.4
281.16904	1.7
282.16998	2.7
288.15903	4.1
306.17014	8.2
320.18500	1.3
324.44193	1.0
330.17026	2.5
348.18021	32.2
366.19095	45.5
367.19513	1.9
384.20123	100.0
385.13055	1.4
385.20502	4.1
408.00372	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.186
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66611	1.5
53.03935	5.2
55.01868	7.4
57.03432	8.4
61.02913	6.4
68.99781	2.1
69.03425	36.9
70.06576	5.3
71.04991	5.4
71.05977	2.6
71.22756	1.4
72.08128	2.5
73.02908	7.0
79.05502	2.4
81.03407	23.7
81.07027	2.1
81.95920	1.3
84.08145	3.3
85.02901	100.0
86.03256	1.3
86.09706	2.9
87.00819	43.3
87.04445	2.5
91.05482	2.1
93.07006	1.3
94.40600	1.5
97.02888	33.2
99.04458	14.3
99.28043	1.5
105.01859	76.0
105.07037	2.1
106.02239	1.4
106.83865	1.5
106.92959	1.5
107.04933	3.5
108.05286	2.9
109.02870	31.6
110.07153	2.1
111.04404	1.5
117.01821	3.3
119.08621	2.0
119.10680	3.9
127.03906	73.3
129.01820	2.5
129.19408	1.3
130.06544	1.5
132.92595	1.5
135.04373	1.6
145.04948	38.1
147.02853	2.4
153.05447	4.2
158.05966	6.8
159.02864	14.1
159.06291	3.7
182.96561	1.6
189.03888	4.1
213.03987	4.2
231.04961	18.7
249.06000	6.5
300.05792	2.6
310.11920	1.5
384.11987	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.165
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	2.9
55.05497	5.9
56.11232	2.3
67.05484	17.5
69.03415	11.2
69.07075	5.7
70.02926	4.6
70.06570	5.8
71.14780	3.5
74.45994	2.6
79.05483	8.0
81.07044	10.5
83.04983	4.1
84.04478	2.8
84.08138	2.5
85.02917	4.4
91.05466	9.4
93.07026	13.0
95.04950	16.0
95.08606	4.0
96.04478	6.2
100.11246	9.3
105.07013	10.5
107.08553	6.0
108.04502	3.4
109.02864	5.0
110.06045	2.7
111.04491	2.3
115.05420	3.4
117.07032	6.9
119.04944	5.4
119.08588	9.0
120.04450	4.0
121.06479	8.1
123.08022	4.1
124.03944	3.5
128.06219	4.2
129.06976	5.9
131.08542	6.7
133.06439	10.6
133.10120	4.2
134.06004	4.3
135.08029	19.4
135.11697	4.4
136.07552	3.8
137.05940	5.9
141.07019	3.1
142.07747	4.1
143.08490	4.5
145.06544	4.2
145.10133	6.5
146.06013	2.7
147.08073	6.3
148.07529	3.9
149.13237	4.2
156.09334	11.1
157.10092	3.8
158.07272	2.7
159.08037	15.3
159.11670	7.5
161.05965	6.8
161.09602	10.1
163.11227	3.2
165.07068	3.2
166.07729	4.8
169.06465	3.7
169.10046	3.0
171.11655	8.4
172.08827	8.3
173.09621	6.9
173.60080	2.4
174.06734	8.7
174.10362	3.3
175.07556	12.2
175.11200	10.0
177.12758	4.4
184.08826	11.4
185.09692	2.9
187.11095	6.6
189.09091	28.9
189.12677	17.7
193.08591	8.2
195.13785	2.9
199.11180	37.1
209.09642	6.0
212.08301	22.9
215.10570	20.8
217.12254	41.0
227.10641	61.7
245.11716	100.0
246.12419	4.7
246.14890	19.7
263.12750	6.7
263.60300	2.9
264.15942	6.9
306.16898	2.7
307.09976	2.5
323.12778	3.9
328.96976	2.8
348.18048	6.6
349.12723	3.3
352.08902	4.3
354.14557	5.1
366.14789	4.9
366.19080	14.2
384.20044	39.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.3668
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	2.8
55.05502	19.6
56.98583	2.3
57.07074	13.2
58.69754	2.3
67.05502	28.1
67.69511	2.2
69.07067	18.9
71.08631	17.6
71.18148	7.6
79.05498	14.4
81.07047	51.1
83.08618	20.2
85.10165	5.3
91.05468	13.2
93.07037	28.2
95.08604	47.1
97.10153	14.6
105.07026	32.0
107.08578	25.3
109.10144	43.1
111.11672	6.7
117.06957	2.5
119.08565	23.5
121.10149	17.2
123.11684	15.1
125.13226	3.7
133.10104	19.8
135.11671	32.8
137.13257	9.6
145.10098	4.7
146.47653	2.5
147.10556	4.4
147.11684	58.1
147.12846	4.3
149.13278	16.7
151.14778	2.8
152.52116	2.7
159.11711	6.6
161.13261	41.3
163.14824	8.6
173.13194	6.3
175.14821	19.3
177.16367	3.3
182.15282	2.3
189.16338	11.3
201.16484	4.2
203.17949	9.2
215.17903	14.8
215.80463	2.2
227.16348	2.6
229.19458	5.1
243.21100	8.4
247.24226	5.9
257.22632	5.7
273.25803	6.7
328.17740	2.3
361.08810	3.0
383.36691	100.0
384.36978	3.8
385.47064	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	384.1147
Annotation	Succinyladenosine
Peak:m/z	Relative Intensity
50.84431	0.4
55.01875	2.0
57.03429	2.6
61.02915	0.6
69.03418	2.6
69.41823	1.1
69.42228	4.5
70.06591	1.1
71.01360	0.9
72.08176	0.8
72.82743	0.5
72.93790	0.6
73.02907	1.0
75.99059	0.5
78.51704	0.4
79.05007	0.4
79.05464	0.5
81.03432	0.8
83.16270	0.4
85.02905	3.3
85.97128	0.4
91.05495	1.5
94.68015	0.5
96.39985	0.4
97.02908	1.3
98.20645	0.8
105.07057	1.6
107.04928	0.9
110.07161	0.7
115.03933	0.8
119.03635	0.6
119.04937	1.8
121.05103	1.6
127.03886	1.0
132.08087	0.5
132.95866	0.7
133.06462	1.4
135.06670	2.3
136.06169	19.6
137.04559	0.7
147.04387	10.9
148.04912	0.8
148.06157	6.0
151.03857	0.7
152.79271	0.5
160.06247	0.9
161.05933	2.8
162.07741	36.5
164.05617	0.7
167.07074	0.8
188.05655	13.8
192.05148	17.8
193.05354	0.5
193.08618	0.9
197.78867	0.5
200.98532	0.6
205.08591	0.5
206.06702	7.5
212.98395	0.9
216.05043	0.5
223.10809	1.6
234.06206	11.2
235.06299	0.5
252.07260	100.0
253.07555	2.1
282.99048	1.2
296.15872	0.6
301.00128	0.6
324.99982	2.1
361.02280	0.8
384.11404	21.2
385.11435	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2787
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01740	2.4
53.03923	4.8
54.65420	2.5
55.01861	6.9
55.05508	35.2
57.03427	18.2
57.07071	29.6
59.69398	2.8
67.05499	58.9
67.14418	2.5
68.57632	2.3
69.03414	2.4
69.07065	19.1
69.38559	10.9
69.38979	16.5
71.04985	27.0
71.08627	4.6
79.05486	32.7
81.03412	13.1
81.07044	54.8
83.04969	8.9
83.08609	29.0
85.06529	4.9
85.10175	63.7
91.05470	35.3
93.07036	33.5
95.04951	25.2
95.08591	39.6
97.06535	10.0
97.10156	7.4
99.08083	6.9
101.67815	2.6
105.07024	27.7
107.04943	11.7
107.08562	17.8
109.06509	8.4
109.10123	22.5
111.08061	7.5
113.09636	67.7
113.10381	4.9
115.11164	2.4
117.07041	4.1
119.08576	19.4
121.06514	3.3
121.10154	12.0
123.08054	10.7
123.11713	5.4
125.09610	3.6
127.04810	2.4
129.06999	9.3
131.08571	11.2
133.10130	10.0
135.08022	3.5
135.11717	5.2
137.09651	2.6
143.08553	3.9
145.10115	6.7
147.11667	21.0
149.09596	20.5
149.13347	3.9
151.11177	7.0
155.10655	4.9
157.10194	4.5
161.13258	9.9
163.11189	13.4
164.88573	2.4
165.12729	78.5
165.14049	3.9
171.11696	4.9
173.11768	6.2
173.13240	3.0
175.11198	6.0
179.14316	11.5
181.12245	3.1
185.13307	3.2
192.25005	2.5
193.15880	4.3
207.13747	4.9
221.15361	3.8
231.21078	4.0
241.19536	5.9
249.22130	6.7
259.20560	10.4
277.21582	100.0
278.22153	3.0
295.22681	19.1
309.24240	10.3
333.24374	3.2
351.25299	26.9
383.27896	31.6
384.28452	3.1
396.96289	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2789
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00284	1.4
53.03931	4.0
55.01856	5.8
55.05504	23.1
57.03429	23.6
57.07069	29.4
60.48712	1.3
65.03918	2.7
66.73575	1.3
67.05499	39.9
69.03426	2.0
69.07053	13.5
70.10266	3.3
70.10683	4.0
71.04987	18.7
71.08621	2.6
78.42866	1.1
79.05487	29.5
81.03413	12.1
81.07048	47.9
83.04965	9.9
83.08614	9.5
85.06544	3.5
85.10175	66.2
89.69933	1.2
91.04932	1.6
91.05474	30.0
93.07035	26.8
93.80997	1.3
95.04955	24.7
95.08594	36.8
97.06521	6.7
97.10147	5.0
99.08086	3.0
105.07018	24.1
107.04938	12.2
107.08605	14.1
109.06506	8.0
109.10143	12.2
111.08071	3.9
113.09632	74.7
117.06983	3.9
119.08575	13.2
121.06485	1.9
121.10123	13.5
123.08055	14.0
123.11694	2.6
125.09602	2.1
128.73151	1.2
129.06985	4.1
131.08540	12.4
133.10117	8.5
135.08089	1.3
135.11674	4.5
137.09613	4.4
137.13271	1.2
143.08566	3.5
145.10109	6.0
147.08064	1.4
147.11673	18.2
149.09604	19.2
149.13243	3.2
151.11162	5.7
155.10648	2.6
157.10112	4.0
159.11642	1.6
161.13234	3.7
163.11172	10.3
163.14780	1.5
165.12740	86.5
167.14305	3.1
168.10173	1.4
171.11664	3.8
173.11726	1.5
173.13193	2.6
175.11224	3.6
175.14732	2.4
177.12767	1.4
179.14273	11.1
181.12251	5.0
185.13263	2.4
187.13228	2.4
187.14738	1.4
193.12305	1.4
193.15952	2.2
207.13716	3.2
231.21056	3.6
241.19406	3.2
249.22235	2.9
259.20520	8.3
277.21613	100.0
278.22006	3.6
295.22629	19.7
309.24332	2.8
315.23126	1.7
333.24078	5.0
351.25281	19.7
382.95676	1.2
383.27899	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	383.2578
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	10.9
55.05494	13.1
57.03439	4.8
57.07061	18.3
57.90474	3.7
59.04990	7.5
67.05503	43.6
67.64975	4.0
69.03424	19.4
69.07057	15.3
69.62812	10.3
69.63227	24.6
71.04983	9.4
73.93336	3.7
79.05483	39.5
81.03397	4.8
81.07056	41.1
83.04977	6.1
83.08607	6.8
85.06530	7.4
86.77333	3.8
91.05470	49.2
91.76842	3.9
93.07037	100.0
95.04951	35.3
95.08599	50.7
96.04510	6.2
97.06511	12.9
98.21505	7.3
101.05896	3.7
103.05486	5.5
105.07022	90.0
107.08591	43.7
109.06524	24.6
109.10137	27.7
111.08080	12.8
117.07034	10.6
119.08575	56.0
121.06494	17.7
121.10123	56.3
123.08055	28.2
128.06227	7.0
129.06978	18.1
131.08556	36.2
133.06508	8.6
133.10129	35.2
135.08070	27.8
135.11644	4.6
136.08684	4.6
137.05919	6.9
137.09589	14.7
141.06946	4.4
142.07790	20.1
143.08580	20.2
144.09311	6.8
145.10095	37.3
147.08037	24.4
147.11649	21.5
149.09619	28.3
151.07526	43.5
153.09088	5.9
155.08533	7.0
156.09317	10.5
157.10118	42.9
159.08092	8.8
159.11700	15.9
161.09628	20.3
161.13278	10.0
163.11162	7.3
165.09085	57.8
169.10065	7.8
171.11678	13.8
173.09645	12.6
173.11739	6.0
173.13191	9.3
175.11134	23.4
175.14728	9.2
177.09103	10.9
178.09889	5.6
183.11646	8.8
185.13237	13.7
187.11217	4.5
187.14719	4.6
189.12695	10.5
191.14220	4.5
193.10023	4.2
195.11659	6.5
196.81706	4.2
197.13254	7.7
199.11168	5.4
201.12747	13.6
203.14320	26.8
204.60521	4.0
207.13776	15.8
209.13393	7.2
209.15295	9.1
211.14752	5.5
215.14375	9.1
216.15001	5.8
219.13649	6.2
221.15361	90.9
233.15237	9.7
234.16147	15.6
237.14772	7.4
263.79663	4.4
271.15524	4.4
286.19485	5.5
287.20120	6.7
294.07870	4.5
303.19489	9.6
365.24695	11.3
373.60117	3.9
383.25668	74.6
383.30331	6.6
384.25781	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2577
Annotation	C25-Epoxy-apo-aldehyde
Peak:m/z	Relative Intensity
52.18233	3.2
52.96503	3.3
53.03940	7.8
55.05504	12.2
56.36158	3.2
57.07074	8.4
58.59407	4.2
59.04977	5.1
66.22668	3.8
66.64272	4.6
67.05505	28.2
68.69221	3.7
69.03414	12.9
69.07054	12.2
71.04996	7.3
71.75940	6.4
72.30096	4.3
79.05478	26.5
81.03381	9.7
81.07050	37.8
83.04947	6.3
83.08610	5.6
85.06547	8.7
91.05463	40.2
93.07035	72.4
95.04970	23.1
95.08597	44.2
97.06512	13.5
105.07030	62.4
107.08588	36.7
109.06503	15.5
109.10183	20.2
111.08053	7.0
117.07008	12.6
119.08567	46.9
121.06508	10.4
121.10149	32.2
123.08063	26.1
123.11796	4.6
128.06235	4.4
129.06989	15.2
131.08548	31.3
133.06401	4.1
133.10098	28.6
135.08066	20.6
135.11626	8.8
137.05984	4.1
137.09679	4.4
140.95372	3.4
141.06946	4.3
142.07761	10.9
143.08563	16.7
144.09283	5.8
145.10118	30.3
147.08028	18.2
147.11661	13.3
149.09596	15.8
151.06339	7.3
151.07530	100.0
155.08553	5.7
156.09262	6.3
157.10130	33.9
159.08028	8.4
159.11670	22.6
161.09622	16.6
161.13242	7.5
163.11215	10.6
165.09103	31.1
167.08434	4.6
169.10101	6.3
170.10854	4.1
171.11720	7.4
173.09613	6.2
173.13206	7.1
175.11131	12.4
175.14850	5.8
177.09076	12.8
177.12740	5.6
185.13232	14.2
186.97208	3.4
187.11189	8.0
189.12733	6.1
191.10608	29.5
195.11855	4.2
197.13235	6.2
201.12767	6.3
203.14336	16.3
205.12201	9.2
207.13788	10.3
215.14240	7.9
219.13795	3.9
221.15350	42.8
227.14275	6.8
229.12114	4.7
231.13599	4.1
233.15286	6.9
234.16061	8.6
287.20056	4.8
299.05557	5.1
299.19992	5.2
303.19638	4.3
309.18927	3.9
365.24762	14.2
383.25751	51.7
384.26227	3.8
404.20468	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	383.2578
Annotation	C25-Epoxy-apo-aldehyde
Peak:m/z	Relative Intensity
53.03941	4.2
55.01850	2.5
55.05506	14.4
55.86845	2.8
57.07068	13.7
57.82616	2.8
59.04996	8.6
67.05508	30.8
69.03423	15.8
69.07053	7.7
70.46108	11.1
71.04977	6.4
79.05485	30.4
81.03416	9.2
81.07053	39.8
83.04972	7.0
85.06525	7.9
91.05473	48.7
93.07040	100.0
94.07355	2.6
95.04966	26.2
95.08595	38.8
97.06525	12.9
103.05457	3.6
105.07024	66.5
107.08593	41.8
109.02882	2.8
109.06496	23.1
109.10158	18.0
111.08076	7.7
115.05484	3.1
116.06237	3.1
117.07033	13.3
119.08575	51.3
121.06520	12.2
121.10134	50.3
123.08058	35.7
128.06215	9.1
129.07007	15.0
130.07784	6.2
131.08562	24.9
133.06491	5.6
133.10132	30.6
135.08038	24.3
135.11682	4.9
137.05977	2.6
137.09624	9.6
141.06984	6.4
142.07753	17.2
143.08553	21.8
145.06500	2.9
145.10124	36.1
146.07269	3.8
147.08047	23.1
147.11662	15.3
148.08823	4.2
149.09613	25.8
151.07536	51.1
155.08522	5.8
156.09340	5.5
157.10117	34.9
158.07292	3.0
159.08031	7.7
159.11710	14.7
160.08865	3.7
161.09605	19.6
161.13260	9.1
163.11191	7.4
165.09108	47.1
167.08632	3.1
169.10109	3.0
170.10909	4.8
171.11687	7.1
173.09624	9.4
173.13182	13.2
175.11159	21.4
175.14810	8.1
177.09103	14.7
177.12773	3.5
179.08559	3.3
181.10162	3.4
183.11720	5.5
185.13232	19.7
187.11148	6.6
187.14769	3.0
189.12761	11.3
191.14276	4.2
195.11705	3.5
197.13274	5.7
199.11076	4.6
201.12746	10.6
203.14288	32.2
204.56903	3.1
207.13811	11.4
209.13316	4.5
209.15187	3.8
211.11197	3.3
213.12669	3.3
215.14296	5.5
219.13779	9.2
221.15341	83.7
223.14824	3.2
225.12741	5.0
227.14194	4.5
229.12273	3.5
231.13771	4.2
233.15421	7.1
234.16205	14.7
237.14737	5.0
243.13840	5.3
253.15785	3.3
255.17546	3.3
281.18936	3.3
283.16873	3.1
285.18396	2.8
286.19241	7.2
287.20062	8.2
299.20013	4.3
303.19534	8.8
309.18216	2.8
347.23557	2.7
365.24869	15.4
365.28708	3.3
383.25751	73.1
384.25958	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	383.2577
Annotation	C25-Epoxy-apo-aldehyde
Peak:m/z	Relative Intensity
53.03936	4.0
55.01872	4.5
55.05496	17.0
56.96552	4.5
57.07061	11.4
59.04992	8.7
65.03927	5.1
67.05492	42.7
69.03418	23.1
69.07047	11.8
71.04964	7.9
71.73920	6.9
77.26270	3.5
79.05490	35.4
81.03401	6.6
81.07045	49.2
83.04965	9.0
83.08591	5.0
85.06505	6.1
91.05481	45.9
93.07029	100.0
95.04961	29.9
95.08583	50.1
97.06502	16.7
103.05457	5.4
105.07020	95.0
107.04932	6.3
107.08586	52.4
108.68446	3.4
109.06498	33.9
109.10125	21.4
111.08046	8.1
113.09616	4.1
116.02721	4.1
117.06993	16.2
118.75617	3.4
119.08559	66.7
121.06529	17.2
121.10134	60.4
123.08061	39.6
128.06183	12.3
129.06950	13.7
130.07761	6.9
131.08537	36.7
133.06439	11.8
133.10129	36.7
135.08029	24.3
135.11697	11.4
137.09613	15.8
141.07037	6.1
142.07771	22.5
142.85027	3.6
143.08566	24.9
145.06427	4.8
145.10130	46.5
146.07149	4.1
147.08005	30.8
147.11684	18.6
148.08734	3.8
149.09589	31.6
151.07513	53.2
155.08546	6.4
156.09297	14.3
157.10104	48.1
159.08052	9.0
159.11682	22.6
161.09598	30.2
161.13199	11.1
163.11108	14.2
165.09125	44.7
169.10114	9.8
170.10814	7.4
171.11636	10.1
173.09576	12.0
173.13211	7.4
175.11171	27.0
175.14815	12.5
177.09061	10.7
181.10139	4.0
181.12210	5.8
183.11726	8.0
185.09608	5.2
185.13255	27.6
187.11165	5.7
187.14864	4.3
189.12718	13.2
195.11627	6.8
197.09702	5.6
197.11583	4.2
197.13359	8.1
199.11165	3.9
201.12732	8.7
203.14278	38.5
207.13802	12.3
209.13400	4.4
209.15288	9.5
213.12680	5.0
215.14265	7.5
216.14983	3.8
217.12198	5.5
219.13783	4.4
221.13297	3.0
221.15312	86.0
223.14862	5.5
225.07570	3.9
227.14310	6.5
233.15256	8.2
234.16054	17.6
286.19226	6.7
287.19852	18.1
299.19998	9.3
303.19199	4.8
365.24695	10.5
367.01776	5.0
383.25726	88.0
383.30286	7.9
384.26004	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2424
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.1
53.91580	0.8
54.87782	0.9
55.01861	5.2
55.05495	4.0
57.03410	3.4
57.07056	1.3
60.50042	0.8
61.15289	0.9
62.62202	0.9
67.05496	8.9
67.43126	0.8
69.07053	4.9
71.04298	2.3
79.05480	7.6
81.07046	30.5
83.04964	3.7
83.08594	3.2
85.17239	0.8
91.05471	4.0
93.07028	5.8
95.08596	6.5
97.06498	3.0
105.07000	3.1
106.33963	0.8
107.08549	5.6
109.06492	11.0
109.10137	5.7
111.04432	16.6
111.08060	2.3
114.38892	0.9
119.08529	6.0
121.10123	4.1
123.08086	2.5
123.11700	1.2
125.05972	7.1
131.08559	2.9
133.10106	6.4
135.08012	2.1
135.11647	5.2
137.05957	100.0
137.13216	1.6
138.06328	1.6
143.08521	2.2
145.10034	1.3
147.08040	1.7
147.11650	7.2
149.09566	4.8
151.07516	2.1
151.11104	1.1
157.10136	1.5
159.11624	1.1
161.09619	6.2
161.13234	3.2
163.11139	3.5
163.14828	1.3
165.09087	2.4
175.11137	5.5
175.14815	1.4
179.10692	2.0
185.13387	0.9
193.12244	1.2
203.14305	1.3
203.17903	6.9
213.16435	3.0
221.18976	2.5
231.17390	9.7
241.15706	1.3
249.18503	13.7
277.17957	64.6
278.18387	2.5
295.18991	25.6
351.21710	3.5
371.25839	1.0
383.24323	10.9
383.29007	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2428
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11802	1.5
53.03933	5.3
54.77179	1.7
55.01864	13.7
55.05505	46.7
57.03428	23.0
57.07073	1.9
59.04990	3.4
65.03934	3.9
67.05499	59.4
69.03420	7.0
69.07057	26.5
70.06586	3.9
71.04990	10.2
71.73174	1.6
71.73704	2.5
72.08146	5.4
73.02901	2.0
79.05486	52.5
81.03419	17.6
81.07047	100.0
82.07397	2.7
83.04966	21.4
83.08612	25.5
84.08113	4.3
85.02891	7.9
85.06527	5.8
87.04482	1.7
91.03968	2.0
91.05473	37.2
93.07039	52.9
95.04966	19.8
95.08595	46.1
97.02852	3.4
97.04023	2.0
97.06528	16.8
97.10162	29.1
98.06092	2.2
98.10503	1.5
99.04442	4.9
99.08066	11.5
103.05486	2.1
105.07014	29.6
107.04951	11.7
107.08580	34.0
109.02887	2.3
109.06493	12.5
109.10149	27.2
110.07178	1.6
111.04456	17.1
111.08093	10.8
115.05482	3.2
115.07548	3.0
117.07013	17.1
118.06509	6.0
119.04904	3.0
119.08569	33.0
120.08909	2.0
121.06495	9.4
121.10146	18.8
123.08066	35.2
123.11707	3.3
125.05981	3.2
125.09615	32.8
126.09988	2.1
127.07520	3.0
128.06276	1.7
129.07008	9.0
130.06493	3.9
131.08556	17.5
132.08931	1.8
133.06474	4.8
133.10109	25.6
135.08038	11.5
135.11655	11.8
137.09596	10.8
141.06944	3.2
142.95886	1.9
143.08461	8.1
143.10707	2.2
144.08070	4.7
145.06438	2.2
145.10110	19.2
146.05989	21.4
147.08017	9.7
147.11684	12.4
149.09595	12.6
149.13266	4.6
151.07516	3.1
151.11145	8.7
152.14340	20.1
153.09079	4.5
153.12732	10.0
155.08551	1.7
157.10088	8.3
159.08006	2.2
159.11681	9.4
161.09630	6.2
161.13202	2.9
163.07587	1.9
163.11157	22.5
165.09050	9.8
171.11681	5.2
173.09601	4.7
173.11774	2.2
173.13217	3.1
175.11139	6.0
175.14810	3.8
177.12732	3.0
179.10725	2.4
181.12225	10.7
185.13228	3.0
187.11194	2.2
188.07077	14.5
189.11206	30.7
189.12817	3.1
191.10669	8.4
193.12204	7.5
196.16933	9.9
199.11166	1.8
199.14775	2.4
202.07849	1.8
203.14217	2.3
205.12268	2.2
207.13797	2.7
209.11559	2.6
217.15878	5.0
219.13794	1.8
221.11230	2.0
221.15450	3.9
223.13232	6.2
227.08084	3.6
227.12772	14.1
227.17926	3.9
245.13727	2.8
245.18967	4.8
247.07475	2.9
254.17667	3.6
255.17413	5.4
263.19965	4.1
273.18472	39.8
277.08466	2.5
281.16800	21.7
291.10272	3.2
291.19519	64.0
292.19882	4.8
293.08011	3.3
299.05460	6.6
309.16306	8.5
309.20508	3.0
319.09650	1.8
319.15250	1.9
323.12601	2.5
337.10727	2.0
339.20618	6.4
347.22122	4.7
351.12360	2.8
353.10004	2.4
365.23346	21.0
383.15576	8.4
383.23831	43.4
384.19333	20.3
384.23828	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	383.2326
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93250	0.9
53.03931	1.8
53.76577	1.0
55.01849	3.2
55.05499	7.2
56.05026	1.6
57.03425	5.5
57.07064	1.2
62.76513	1.1
67.05497	13.3
69.03426	2.0
69.07072	5.9
70.06578	2.1
71.04971	2.8
71.75316	1.9
72.08136	2.1
73.02879	1.1
79.05484	12.0
80.04999	1.8
81.03397	4.2
81.06612	1.3
81.07043	16.9
83.04955	3.2
83.08588	3.4
84.08105	2.0
85.02867	1.0
85.06509	2.3
86.06042	1.5
86.18562	1.1
91.05460	15.4
93.07037	16.0
95.04953	5.7
95.08591	12.0
96.08125	1.9
97.06504	3.1
97.10148	4.0
98.06027	2.4
98.09655	1.5
99.08080	2.8
103.05441	1.5
105.07023	14.2
107.04927	2.4
107.08572	9.8
108.08105	3.3
109.06490	3.7
109.08843	1.0
109.10139	6.0
110.09641	3.1
111.08028	2.2
114.05524	3.9
115.05436	4.0
115.07578	1.5
116.07059	1.6
117.06989	6.9
118.06528	33.2
118.07374	1.8
119.08569	18.7
121.06525	1.9
121.10130	5.8
122.09683	2.5
123.08021	4.0
123.10414	1.8
123.11707	1.6
124.11181	1.4
125.09599	3.5
127.03887	1.2
127.07476	1.0
128.06174	1.2
129.06972	3.9
130.06506	10.2
131.08556	6.4
133.10098	10.2
135.04453	1.1
135.08022	4.0
135.11662	4.4
137.02325	1.2
137.05933	1.5
137.09593	1.6
138.05547	1.4
139.07545	1.4
139.11177	1.9
142.06485	2.3
142.07712	2.1
143.07349	2.1
143.08527	6.0
144.08069	24.2
145.10089	4.4
146.05986	88.0
147.06358	1.4
147.08012	3.0
147.11658	5.0
149.02295	1.3
149.09561	3.0
149.13234	1.2
150.12796	2.5
151.11229	1.0
152.14326	100.0
153.14668	2.1
154.15829	2.2
157.10077	4.8
159.11655	4.8
161.09636	3.5
161.13225	12.1
163.11148	3.4
164.14342	2.0
165.07880	2.4
170.06009	5.6
173.09509	1.3
173.13190	1.9
174.75488	1.1
175.11131	2.1
175.14781	5.3
176.66866	1.3
178.15941	1.7
179.10588	1.2
184.11177	2.5
185.13222	11.2
188.07050	70.9
193.04919	1.3
193.14084	1.1
194.05324	1.4
196.16948	57.4
203.14311	15.8
208.13303	4.5
210.14839	11.1
221.15387	1.2
227.17923	1.2
241.09734	1.3
254.17476	10.4
273.18439	3.5
276.07581	1.3
281.16711	2.4
291.09872	1.6
291.19418	4.1
299.05466	2.9
302.90823	1.0
339.08691	1.4
339.20642	51.1
340.21072	2.1
351.12003	1.6
352.13199	1.2
365.23224	2.3
368.12631	1.7
383.15070	4.8
383.23248	86.3
384.19293	1.7
384.23642	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	383.2327
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11412	0.6
53.03912	1.9
55.01865	1.9
55.05504	7.1
56.05026	1.3
57.03427	5.1
59.04993	1.0
61.01148	0.8
61.02878	0.7
67.05497	14.1
68.05009	0.9
69.03428	1.6
69.07060	5.7
70.06580	3.5
70.52119	1.7
70.52483	2.0
71.04988	1.7
72.08147	2.1
72.92869	0.8
76.22496	0.7
79.05492	9.9
80.05008	5.4
81.03400	2.7
81.07043	17.0
82.06577	1.4
83.04956	3.3
83.08615	2.8
84.04471	1.3
84.08120	2.3
85.02872	2.0
85.06555	1.3
86.06074	0.8
86.09648	1.0
88.03992	1.0
91.05468	11.7
93.07034	13.5
94.06563	1.4
95.04958	4.5
95.08600	7.9
96.08105	1.5
97.02886	1.4
97.06508	2.5
97.10158	2.9
98.06044	10.0
99.04447	1.7
99.08065	2.6
100.11288	0.8
102.05604	0.9
103.05448	1.0
105.07014	8.6
106.06557	0.9
107.04929	2.2
107.08584	8.6
108.08096	2.6
109.02908	0.7
109.06487	3.3
109.08892	1.3
109.10129	5.7
110.09682	4.9
110.10330	0.8
111.08051	1.3
114.05530	4.1
115.05437	2.1
115.07583	1.6
116.07093	1.9
117.06979	4.1
118.06529	32.9
119.08568	6.6
121.06534	1.4
121.10149	4.4
122.09658	2.4
123.08041	2.5
123.10432	1.0
123.11678	2.6
124.11227	1.1
125.09616	1.6
127.07584	1.0
129.07002	2.3
130.06506	12.9
131.08559	4.3
133.06474	1.5
133.10127	9.0
135.08041	2.6
135.11693	6.4
137.05940	2.4
137.09558	1.6
137.13199	1.1
138.05461	2.2
139.07492	1.1
141.06940	1.0
142.06517	3.3
143.07266	4.2
143.08427	1.4
144.08067	22.3
145.06430	1.1
145.10124	3.5
146.05994	88.3
147.06281	1.7
147.07985	1.1
147.11693	4.1
149.09523	1.3
149.13228	1.5
150.12749	4.0
151.11174	2.7
152.14330	80.7
153.14627	1.3
155.05952	0.9
156.08006	1.2
157.10092	2.1
159.11673	2.9
160.07501	1.2
161.09560	1.9
161.13231	1.6
163.03937	1.3
163.11194	1.3
164.14388	0.9
165.07796	1.6
169.10095	1.1
170.06006	5.7
171.11687	1.9
173.09634	1.1
173.11804	1.0
173.13191	1.8
175.11151	1.4
175.14806	1.3
177.12708	0.9
178.15858	2.7
184.11238	2.4
185.13213	0.9
187.11279	0.8
188.07048	67.1
189.07350	1.5
193.12340	1.2
196.16951	46.2
197.13271	1.1
197.17340	1.1
201.12788	0.9
203.14247	1.2
206.17813	0.9
208.13278	2.6
210.14890	8.6
211.13274	1.1
217.15868	1.1
219.13841	1.0
221.15237	1.2
241.09700	1.0
246.14963	1.6
247.07677	0.8
254.17540	13.0
267.11285	2.6
273.18433	3.5
279.06390	0.8
281.16684	4.1
285.16949	1.8
287.13025	0.8
291.19461	3.5
293.07932	1.4
299.05447	3.7
301.14114	0.9
308.10452	0.9
309.16281	2.7
309.19974	0.9
337.10852	1.3
337.16452	1.2
339.20660	43.6
340.21118	2.2
347.21750	0.8
351.12650	0.7
365.23230	1.7
383.15005	3.7
383.23251	100.0
384.19495	7.9
384.23730	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.9986
Annotation	Unknow
Peak:m/z	Relative Intensity
53.87500	0.3
56.96560	8.6
70.31963	0.9
70.32374	0.6
71.95265	1.6
93.33445	0.3
98.97573	64.4
99.97913	0.4
116.98611	65.2
117.99001	0.4
134.99644	43.8
135.99966	0.4
140.00163	2.2
153.00696	6.9
158.01259	2.9
174.97603	0.4
176.02327	0.4
177.00977	1.3
178.01053	0.6
179.00674	0.4
190.48210	0.3
192.98808	0.4
216.98795	0.9
219.02040	2.2
220.02168	1.1
221.01669	0.5
222.98149	0.3
234.99893	3.7
236.00031	1.0
236.99657	0.5
240.98616	5.0
241.98972	0.5
253.00937	0.4
258.99768	61.6
259.99988	5.1
260.99838	0.8
261.03030	1.4
262.03143	0.7
263.02863	1.0
264.98953	0.6
274.97733	0.9
277.00812	100.0
278.01016	7.2
279.00870	1.5
282.01355	3.8
282.99954	10.1
284.00104	3.5
284.99753	1.7
287.03000	0.4
295.01880	1.3
299.97842	0.5
300.02371	6.8
301.01010	19.3
302.01154	6.5
303.00739	2.1
304.00565	0.3
315.68216	0.3
316.99008	0.6
317.98752	0.5
318.98740	0.4
319.02063	1.0
324.02728	1.4
325.02887	0.3
341.01920	1.2
359.01624	4.6
360.00330	0.9
377.02509	2.3
382.99152	1.5
383.04095	0.6
401.00912	8.8
402.00903	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1447
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.5
55.01865	2.6
55.05490	1.4
56.96546	4.1
57.03416	4.4
61.02898	4.9
63.17522	1.2
67.05483	1.7
69.03095	1.5
69.03429	12.8
70.02951	1.6
70.06566	5.4
71.04962	1.9
71.72236	1.7
72.04499	2.6
72.08144	2.1
72.93774	2.7
73.02914	2.9
74.02430	2.4
79.05476	1.5
81.03419	7.6
82.02950	1.5
82.07157	1.3
83.04974	1.8
84.04479	2.8
84.08131	3.2
85.02901	40.3
86.09666	1.3
88.03974	1.7
89.16335	1.3
90.05536	2.2
91.05454	2.4
94.06536	1.8
95.04967	1.9
97.02877	10.8
98.02363	1.5
98.97556	4.9
99.04430	3.6
103.03895	1.3
103.05395	1.2
105.03384	1.5
109.02848	5.5
110.07150	9.6
110.97570	1.5
115.05412	2.5
116.03428	1.7
116.98590	3.9
117.06996	1.4
118.06517	4.9
119.04930	3.4
121.02836	1.9
124.07498	1.9
127.03935	7.0
130.06516	66.9
132.04434	21.1
132.08083	5.9
132.95825	1.6
134.06049	1.8
134.09688	1.5
134.99646	3.0
136.06178	3.8
136.07568	2.7
138.09116	1.5
142.06468	2.3
143.00090	1.3
144.06902	2.3
144.08078	26.2
145.05080	2.4
145.06490	2.1
145.07584	22.6
146.06013	12.6
146.99554	1.7
147.04408	7.9
148.07562	7.2
152.07053	1.6
153.04042	1.4
154.05228	1.6
154.06480	5.8
156.08018	4.5
157.07603	64.4
158.06010	49.4
158.08171	2.4
158.97432	1.9
159.09140	8.5
160.07529	3.6
166.06601	1.4
168.08051	1.6
168.95885	1.3
169.07588	8.2
170.06093	2.3
170.08366	3.4
171.09167	8.8
172.07581	14.5
173.07025	2.5
174.05518	8.8
175.08664	54.2
176.07022	3.3
176.08994	1.7
176.98442	2.1
177.00717	1.7
180.08153	1.9
181.07579	4.6
182.08316	3.3
183.06712	1.8
183.09189	15.9
184.06102	2.2
184.07547	3.7
185.07097	12.5
186.05475	4.8
186.07811	3.0
187.08655	2.9
188.07057	1.8
191.07104	1.4
195.08994	2.3
196.07677	2.1
198.05482	2.5
199.08681	12.2
200.07053	17.1
201.10223	1.9
202.07132	1.7
202.10757	2.8
203.08136	100.0
203.10883	6.0
204.06546	4.2
204.08452	3.3
207.09131	2.8
209.07080	9.2
212.98495	1.3
215.08133	3.6
216.06636	2.1
216.08858	3.6
216.97987	1.6
217.09717	32.8
219.01564	1.6
219.65833	1.2
221.09180	51.8
222.09471	1.5
227.08122	10.8
228.06577	2.9
231.07600	5.2
233.09334	2.3
234.98973	3.7
237.02744	1.9
243.07762	2.4
245.09203	19.5
251.00926	1.7
252.10983	2.2
253.10915	2.1
257.09210	2.5
263.10260	43.0
265.09744	1.5
274.10782	2.0
281.09451	1.6
287.10202	1.5
299.10291	6.5
311.10156	2.6
329.11365	3.4
347.12354	10.7
348.10721	11.0
365.13312	28.6
383.03903	2.7
383.14508	23.8
383.19162	1.6
384.12616	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.2948
Annotation	Unknow
Peak:m/z	Relative Intensity
53.93810	1.2
55.05497	3.5
56.04761	1.8
56.05031	29.2
57.03413	2.9
57.07081	1.4
58.06588	1.3
61.64683	1.1
67.05499	15.2
69.07057	4.2
71.15929	2.9
74.06072	69.6
76.53445	1.3
79.05472	4.4
81.07051	15.0
83.08591	2.3
84.04487	3.0
91.05460	3.1
93.07026	3.3
95.08589	10.4
102.04881	2.5
102.05533	50.3
105.06983	2.3
105.59642	1.2
107.08585	1.8
109.10138	2.7
119.08575	1.7
120.06567	100.0
120.27515	1.0
123.11716	1.3
133.10123	1.5
245.22575	3.2
263.23651	1.9
267.68820	1.3
307.39398	1.5
364.28320	2.8
382.29617	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.2586
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03894	1.1
55.01796	1.7
55.05440	4.0
55.05728	1.0
56.04980	1.2
57.03370	1.6
57.07013	0.7
58.06549	0.6
65.03887	1.1
67.05424	6.1
69.03368	1.4
69.06982	3.4
70.06509	2.6
70.69728	1.1
70.70096	1.2
71.04922	1.0
72.04443	2.0
72.08083	2.3
73.02857	1.1
74.06015	0.9
79.05406	5.0
81.03407	3.0
81.07047	7.7
82.06520	1.2
83.08535	2.0
84.04432	0.5
84.08075	1.3
85.02818	1.1
85.06499	0.8
87.00827	3.6
90.05498	0.7
91.05468	3.8
92.05755	0.9
93.03341	1.3
93.05689	0.7
93.07026	5.7
94.06484	3.7
94.07295	1.1
95.04960	3.0
95.07278	1.4
95.08597	5.6
96.08056	0.8
96.08861	0.8
97.02842	0.7
97.06478	1.0
97.10088	1.7
98.06015	0.7
98.09628	0.7
103.05376	1.4
105.03300	2.2
105.07006	3.7
106.07267	1.2
107.04897	1.2
107.08580	5.6
108.08116	13.2
108.08807	1.2
109.06435	1.8
109.08844	1.2
109.10127	2.8
110.09601	1.1
111.04386	1.2
111.08023	0.8
117.06917	1.6
118.07356	0.7
119.08575	3.9
120.08028	1.2
120.08797	0.6
121.02861	3.5
121.06423	0.8
121.10136	2.5
122.09658	8.4
123.07977	1.8
123.10471	2.9
124.07552	0.9
125.09566	0.8
129.03297	1.5
131.08458	1.7
132.08810	0.6
133.10037	2.2
135.07971	0.6
135.11626	1.2
136.08336	0.5
136.11200	5.7
137.09599	0.7
140.06978	0.7
143.08498	1.0
145.06392	0.8
145.09998	1.7
146.10437	0.6
147.11609	1.5
148.11101	0.8
149.02321	4.9
149.09441	0.6
150.12778	3.4
152.07083	6.1
152.08252	1.0
155.08362	0.7
157.10033	1.0
159.11638	1.2
160.12039	0.7
161.06023	0.6
161.09579	0.6
161.13191	0.6
162.09880	0.6
163.11087	1.2
164.11516	0.5
166.08551	1.6
167.03406	9.5
167.08409	1.1
170.08006	1.5
173.09506	1.8
173.13150	0.7
174.09853	2.3
177.01743	1.6
180.10196	2.9
182.11728	1.7
183.02963	0.6
189.11111	0.7
192.11153	0.5
193.12059	0.5
194.11659	2.2
195.02776	1.6
195.07990	0.8
197.05719	0.6
201.76768	0.5
204.13759	1.9
213.05402	1.4
218.15314	2.0
220.10008	0.7
222.14914	4.4
223.07481	3.3
231.08040	0.7
234.73515	0.5
236.16516	3.6
238.18028	0.7
239.06865	0.9
240.07619	0.7
244.17673	0.8
246.18492	4.8
247.07370	0.7
248.19975	0.8
249.18626	0.5
250.06139	0.7
250.17978	1.7
251.07031	29.2
254.05650	1.9
262.18756	1.3
264.16788	1.1
264.19586	20.0
265.20181	2.0
267.06537	6.2
268.07257	7.8
272.17136	1.3
274.21536	1.0
279.06503	67.2
290.17999	2.0
291.10083	0.7
291.19598	0.6
292.22638	5.6
293.08099	0.8
294.16968	0.7
294.24356	0.6
296.18259	0.7
297.07553	48.5
299.05386	1.6
307.09534	0.7
308.18674	2.4
318.20526	1.3
320.22214	19.7
321.22632	0.9
322.23792	0.6
336.09659	0.7
336.21600	0.8
338.23236	100.0
339.23553	4.5
340.24939	1.1
351.12381	0.8
364.25452	2.6
382.25888	96.7
383.07504	1.9
383.14975	1.9
383.26297	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	382.2587
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34504	0.4
53.03919	1.1
55.01832	2.3
55.05509	5.7
56.05002	1.2
56.96525	0.6
57.03402	1.9
57.07045	0.6
65.03896	1.3
67.05499	6.2
68.05798	0.6
69.03405	1.1
69.07063	4.4
70.06596	2.7
70.89492	1.5
71.04964	1.0
72.04474	1.9
72.08115	1.8
73.02898	2.1
73.71272	0.4
74.06054	1.0
74.74008	0.4
79.05493	5.1
80.04964	1.4
81.03416	3.3
81.07050	8.9
82.06535	0.9
82.07367	1.0
83.04938	1.3
83.08607	2.4
84.08102	0.9
85.02882	0.9
85.06541	0.8
86.09602	0.5
87.00835	3.0
91.05483	5.4
92.05756	0.5
93.03375	1.3
93.05782	0.7
93.07035	6.0
94.06561	3.3
94.07359	1.0
95.04965	2.2
95.07304	1.4
95.08598	5.7
96.08102	1.1
96.08910	0.8
97.02883	0.9
97.06493	1.6
97.10168	2.7
98.09647	1.7
98.10407	0.7
98.97518	0.5
99.08065	0.7
102.05497	1.4
103.05420	1.5
105.03378	2.7
105.07006	4.3
106.06535	0.7
106.07292	0.9
107.04920	1.4
107.08579	5.6
108.07381	0.7
108.08112	13.1
108.08835	1.1
108.53191	0.5
109.06483	1.7
109.08867	1.4
109.10133	3.2
110.09624	1.3
110.10380	0.8
111.04418	0.6
111.08047	0.8
116.07038	0.8
117.06953	2.0
119.08574	3.9
120.08082	0.7
120.08875	1.3
121.02849	3.0
121.06528	0.6
121.10126	2.3
122.09669	9.7
122.10524	0.9
123.04395	0.5
123.08006	1.9
123.10438	2.2
123.11713	1.0
124.07574	0.7
124.11181	0.8
125.09587	1.5
128.07060	0.9
129.03333	1.2
129.06982	1.1
131.04863	0.7
131.08559	2.4
133.06453	0.6
133.10127	3.3
134.09627	1.1
135.08011	1.5
135.10378	0.7
135.11655	1.3
136.11191	6.2
137.05946	0.9
137.09570	0.9
138.12701	0.6
140.06918	0.7
142.07579	0.6
143.08551	0.8
145.10123	2.2
146.10492	0.8
147.04369	1.0
147.07990	1.0
147.11681	2.5
148.11063	0.7
148.12109	0.5
149.01335	0.6
149.02322	4.2
149.09581	1.1
149.13245	0.5
150.12767	3.8
151.07475	0.6
152.06024	0.5
152.07069	6.0
155.08516	0.6
157.10051	1.5
159.07993	0.6
159.11642	1.2
161.09596	0.6
161.13240	1.0
164.11557	0.5
166.08624	1.4
167.03395	8.8
167.08551	0.7
168.10196	1.3
169.10147	0.6
170.08087	2.0
170.11732	0.7
171.11644	0.6
173.09619	2.2
174.09981	3.0
175.11185	0.5
176.14198	0.6
177.01883	2.2
180.10175	3.2
182.11772	1.3
189.11197	0.9
194.11771	3.0
195.02867	2.0
195.07941	0.7
196.13307	0.9
204.13821	2.4
204.17477	0.6
213.05403	0.7
218.15445	1.9
218.99910	0.5
220.10449	0.5
222.14841	5.6
223.07587	4.2
224.16275	0.5
236.16441	4.6
238.18222	0.6
244.09586	0.9
244.17931	0.8
246.18547	6.3
248.08202	0.6
248.20110	1.3
249.18349	0.6
250.06134	0.9
250.17995	1.4
251.07014	29.9
254.05682	2.1
254.16283	0.6
262.18832	0.8
264.19580	19.5
265.08511	0.5
265.20328	2.7
266.21060	0.5
267.06500	5.3
268.07272	7.8
272.17233	2.0
273.18457	1.0
274.21536	1.2
275.20032	0.7
279.06512	67.8
285.04294	0.5
290.09085	0.5
290.17914	2.0
291.10294	0.6
291.19470	1.2
292.22687	4.9
294.08826	0.5
294.17172	0.5
296.18665	0.6
297.07559	48.3
299.05484	1.7
301.12808	0.8
308.18634	1.7
318.20691	1.9
320.22202	21.9
321.22330	0.8
322.23697	0.6
338.23236	100.0
339.23630	5.0
340.24924	1.9
364.25278	2.5
382.25894	97.8
383.07562	1.3
383.15128	2.3
383.26337	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	382.1704
Annotation	cis-zeatin-9-N-glucoside
Peak:m/z	Relative Intensity
57.07051	2.4
59.32820	1.2
61.02916	1.5
69.07050	2.2
69.40095	13.3
69.40506	2.0
70.02937	2.1
72.04514	8.5
73.02889	2.1
81.08112	1.5
85.02891	3.1
85.06531	3.8
90.05542	61.6
94.66830	1.4
95.04949	4.3
98.02404	7.4
101.20348	1.3
103.07571	3.9
108.13199	1.3
109.09082	1.3
116.03440	9.7
118.22383	1.5
124.07596	11.0
142.08606	5.1
166.08566	1.6
174.11247	1.8
184.09660	12.3
202.10727	19.5
220.11771	100.0
221.12123	2.2
251.20303	1.5
344.46036	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.1717
Annotation	cis-zeatin-9-N-glucoside
Peak:m/z	Relative Intensity
67.03046	0.1
69.07061	5.6
69.92538	0.3
69.92949	0.6
70.06587	0.2
82.04034	0.6
84.20743	0.2
85.02896	0.3
94.04093	0.2
96.44997	0.1
97.05129	0.2
98.03516	0.5
107.04964	0.3
108.01958	0.2
109.05105	0.2
110.03524	0.3
124.06177	1.2
125.04592	3.2
135.02988	0.4
136.06183	0.7
152.05661	100.0
153.04063	0.2
153.06087	0.9
164.05659	20.7
165.01830	0.2
175.04904	0.2
187.35692	0.2
206.06705	0.6
220.11919	87.2
221.12231	1.9
276.35123	0.2
299.05518	1.3
326.10922	0.9
382.17188	7.3
383.17310	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.1791
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.0
55.01855	2.1
55.05494	4.5
57.07061	1.3
58.99561	2.8
63.17237	0.8
67.05511	6.9
68.05016	1.6
68.37954	0.9
69.03379	1.0
69.07048	3.9
69.96993	5.2
70.02940	3.9
70.06580	6.3
72.08136	2.6
76.03983	1.2
79.05479	5.4
80.05004	3.3
80.17567	0.9
81.07045	8.1
82.06545	0.9
82.07413	0.9
83.08595	3.1
84.04498	2.8
84.08104	1.3
85.01110	3.2
86.00645	14.8
86.99039	2.1
87.02676	1.4
88.02193	1.3
88.85606	0.9
91.05458	4.7
93.07021	4.2
94.06540	1.4
95.04928	1.6
95.08611	8.9
96.08121	2.3
97.06506	2.7
97.10143	1.3
98.09673	0.9
100.02200	1.6
105.07018	1.6
107.08573	2.9
109.06501	2.3
109.10157	2.7
110.09636	1.2
111.07996	1.2
112.02147	1.2
112.03936	1.8
113.04198	1.8
116.01659	8.6
119.08567	2.8
122.09647	2.2
124.07559	1.5
125.09618	1.0
126.09203	1.1
127.05757	3.7
130.04999	3.2
132.01123	2.7
133.10153	1.0
135.08041	1.0
137.05966	1.0
137.13228	2.8
138.03690	1.4
138.25938	0.9
143.02736	24.0
143.04462	1.4
144.01131	1.3
148.11067	1.0
154.06807	3.7
156.04836	1.2
156.10184	2.5
162.02199	2.6
171.02220	4.8
180.08394	5.6
182.06419	1.8
182.10016	4.1
189.03268	38.7
194.15408	1.5
216.06868	1.6
221.07355	1.1
221.16568	1.6
231.04448	1.3
252.14149	2.1
254.17558	9.9
259.10989	1.6
267.21359	1.0
279.15405	4.6
283.11072	3.6
285.08969	3.5
290.18280	1.4
299.05649	2.1
355.16843	100.0
356.17197	5.2
364.19162	1.2
382.24512	1.8
382.29468	12.4
403.73572	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.1791
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	0.7
55.01862	2.9
55.05506	3.9
57.03407	0.8
58.99581	34.2
59.68224	0.8
61.01139	5.1
65.03921	1.1
67.05497	11.4
68.04993	0.8
69.07066	9.4
69.46342	6.1
70.02937	1.0
70.06573	0.8
71.04978	1.0
72.08144	1.3
73.01118	1.2
76.03989	1.5
77.38441	0.7
79.05488	3.8
81.04515	0.7
81.07049	5.8
81.36378	0.6
82.06564	1.0
82.07384	0.7
83.04949	0.6
83.08606	1.2
84.04521	3.3
85.01117	2.7
85.02856	0.7
86.00639	5.5
86.99043	2.8
87.02678	2.6
88.02194	1.6
91.05482	3.0
92.05775	0.9
93.07018	4.4
94.06547	0.9
95.04903	1.1
95.08589	4.3
96.08138	2.3
97.06509	1.6
98.09692	1.2
99.02663	1.5
100.02184	0.8
101.04227	16.9
105.04505	0.8
105.07026	1.2
107.08565	2.1
108.08123	3.3
109.10130	1.2
109.92850	0.6
110.09682	1.2
112.02171	1.0
112.03956	4.7
113.04253	0.8
115.05824	1.0
116.01666	16.5
117.07002	0.7
119.08546	1.6
122.09656	1.8
123.07977	0.8
124.07555	2.0
125.01683	1.4
126.09167	0.8
127.05786	3.7
129.07332	26.2
130.04990	20.6
130.07664	1.0
131.05252	0.8
132.01117	0.9
133.07643	1.2
133.10132	1.2
136.11188	1.0
137.09641	0.6
138.03743	0.7
143.02733	6.6
144.01152	4.3
147.09120	0.8
147.11702	0.8
151.08653	3.0
154.06775	1.4
156.10130	0.7
160.00673	0.9
161.10825	1.3
162.02193	6.9
164.10670	1.1
165.12714	0.7
171.02252	0.7
176.14383	1.2
180.08394	1.8
182.06268	2.1
188.07399	0.8
189.03259	9.8
194.15364	1.6
198.13000	0.7
203.15428	1.5
209.07408	2.3
221.16461	10.7
229.07744	1.0
230.08438	14.6
231.08905	0.7
234.13081	0.9
252.14087	3.9
259.06302	2.2
269.09589	2.3
273.18289	0.7
279.15219	26.5
280.15652	0.8
283.11081	0.8
285.09006	2.7
291.07416	0.7
291.19708	0.8
299.05850	0.7
331.37524	0.7
337.15820	2.4
355.16833	100.0
356.17160	5.4
382.17810	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	382.1126
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32923	0.3
53.03942	1.7
55.01844	1.1
57.03428	1.4
57.66574	0.3
61.02917	1.9
68.99778	2.2
69.03419	2.0
69.83033	2.0
70.02931	1.8
70.06579	0.3
71.04969	0.5
72.04491	0.7
73.02899	1.1
75.04482	0.3
79.05046	0.5
79.05476	3.1
81.02940	0.3
81.03410	6.5
84.04465	0.5
85.02892	5.2
87.00816	3.7
91.05469	1.2
95.04954	0.4
97.02872	2.5
98.06038	0.7
98.21420	0.5
99.04417	1.0
103.03940	6.2
103.04636	0.5
103.04778	0.5
103.05450	5.6
105.01854	1.3
105.03385	0.4
106.06539	4.8
107.04926	2.0
109.02864	7.6
112.03954	0.4
112.49075	0.3
115.05384	0.3
116.04966	0.5
117.07008	0.6
118.06546	2.3
126.05495	1.2
127.03921	1.7
129.01828	2.5
130.06512	13.9
131.06798	0.6
132.04448	0.3
132.08037	0.7
132.83673	0.3
134.06000	8.8
141.52660	0.3
142.06494	0.7
144.08060	3.0
145.04942	0.9
146.06023	1.4
147.02843	1.5
154.04887	0.3
154.06436	0.4
158.05994	100.0
159.02853	0.5
159.06337	2.9
160.07585	1.1
167.07372	0.3
168.08057	0.3
171.02850	0.6
172.07550	3.4
176.07051	20.4
177.07422	0.6
186.05531	1.0
186.09286	0.5
188.07033	2.1
189.03908	1.5
196.07581	0.3
200.07042	4.9
214.08572	0.8
218.08133	0.9
224.06946	0.4
229.05623	0.3
242.07977	1.5
256.09735	0.4
260.09201	0.5
278.10385	0.3
296.11288	1.6
326.45007	0.3
328.08295	0.3
338.12439	0.7
346.09204	0.6
364.10196	2.2
382.11298	14.6
383.11734	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.3148
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	3.7
55.05493	15.8
57.07067	16.4
62.51057	3.0
64.14661	3.3
67.05495	28.4
68.61231	3.2
69.07066	20.5
69.39337	3.0
70.82946	3.0
71.08630	7.8
79.05494	19.1
79.81474	3.2
81.07053	68.8
83.08620	10.0
85.06554	22.6
85.10185	7.0
89.05994	5.0
91.05461	13.5
93.07030	48.4
95.04964	8.3
95.08601	63.2
97.06509	5.8
99.13089	3.6
105.07008	41.0
107.08587	42.0
109.10139	34.5
117.06966	5.1
119.08571	45.5
121.10119	27.9
123.11658	10.1
131.08583	16.5
133.08568	4.3
133.10107	25.4
135.11659	15.2
143.08533	15.3
145.10120	33.7
147.11670	24.3
149.13232	14.3
151.11148	4.8
155.08530	6.2
157.10118	15.5
159.11678	36.4
161.13220	21.1
163.14761	7.7
169.10196	4.3
171.11674	8.3
173.13219	16.6
175.14792	9.6
177.12642	3.3
183.11601	5.5
185.13261	7.9
187.14880	11.2
189.16389	10.6
197.13228	8.2
199.14809	8.3
201.16394	7.7
201.19272	3.4
203.17967	5.3
211.14767	7.5
213.16388	13.0
215.17879	7.2
225.16417	5.5
227.17958	7.9
241.19510	7.2
267.20996	7.3
269.22668	7.4
272.92926	3.6
281.22784	7.4
283.24158	9.5
285.68814	4.1
307.24078	5.5
363.30411	27.6
364.31339	6.0
381.07895	6.6
381.31531	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.3111
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.3
55.05513	1.9
56.05036	1.6
56.96554	0.9
57.03431	1.2
59.80153	0.5
67.05499	4.6
68.05028	1.1
68.69189	0.7
69.03425	2.2
69.07063	1.9
70.06583	11.6
71.04993	1.2
71.75356	1.1
72.08148	100.0
73.08492	0.9
74.06081	1.2
79.05497	3.3
80.05016	3.0
81.03408	3.1
81.07059	5.5
82.06581	1.5
83.04984	1.1
83.08606	1.3
84.04503	1.7
84.08118	3.7
85.02900	2.3
85.06534	0.9
86.09695	2.4
91.05473	5.2
93.07041	4.4
94.06557	1.2
95.01336	1.2
95.04963	2.6
95.08582	3.7
96.08130	1.8
97.06522	0.9
97.10192	0.6
98.06042	2.0
98.09688	2.8
98.97566	0.7
99.04443	1.0
100.50021	0.6
101.07144	0.8
103.05447	0.8
105.03357	0.7
105.07034	7.0
107.04958	1.2
107.08569	3.1
108.08123	2.3
109.02894	1.4
109.06489	0.8
109.10153	2.1
110.07181	0.9
110.09682	4.0
115.05492	1.0
116.07049	0.7
117.07021	3.1
118.07431	0.7
119.08581	3.5
119.68329	0.6
120.08081	1.5
121.02836	1.0
121.06510	3.0
121.10175	1.4
122.09677	1.7
123.04375	0.9
123.08057	0.8
123.11737	1.0
124.11208	1.2
125.09641	0.7
126.12781	1.4
128.06180	1.0
129.07008	1.8
130.07785	1.4
131.08554	5.2
133.06458	1.0
133.10126	2.0
134.09651	0.8
135.04379	0.7
135.08073	0.9
135.11674	0.8
136.07709	0.7
136.11186	0.8
137.02341	1.6
137.05984	1.3
137.09593	0.6
138.09088	0.7
138.12729	1.0
143.08553	2.2
145.10110	20.1
145.11221	1.1
146.10461	1.2
147.04411	1.5
149.09624	0.8
150.07738	5.7
151.08150	2.8
152.05670	8.1
152.14328	1.5
153.06009	2.4
158.06023	1.5
158.10966	1.3
159.11708	1.3
161.05956	0.8
161.09645	0.8
163.03845	1.0
164.06998	0.9
173.09645	0.8
173.13240	10.6
183.11681	0.9
183.87801	0.7
187.14462	2.5
188.14850	1.5
191.03418	0.7
192.13820	0.8
195.08789	0.8
201.12741	5.7
219.13843	2.3
229.14319	0.7
240.19562	0.7
246.18477	0.6
247.02299	1.3
247.13174	0.6
248.20059	10.0
250.21638	1.0
264.19711	0.8
266.21130	60.4
267.06448	0.7
267.21469	1.5
268.22690	7.4
289.14294	0.8
292.22647	1.8
294.24338	1.3
297.07410	0.8
310.23740	51.8
311.23990	1.3
312.25372	4.4
320.25748	1.4
323.05447	1.4
324.06128	0.6
325.07034	2.0
335.05408	0.7
337.07343	0.9
337.28500	8.4
338.04181	1.0
338.19662	1.3
353.06168	1.4
353.10089	0.9
363.22275	2.7
364.28412	1.4
381.05325	8.8
381.09537	4.2
381.18805	3.0
381.23218	2.7
381.31082	69.3
382.06360	1.8
382.22354	2.4
382.26755	0.7
382.31305	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.2996
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	3.4
55.05502	13.7
57.03418	3.4
57.07058	3.6
57.22470	0.9
65.03922	2.9
66.79201	1.1
67.05496	87.5
69.07060	16.3
69.54348	9.9
69.54642	1.0
71.04973	2.9
71.08611	1.4
72.08145	1.6
75.04472	2.0
79.05486	37.9
81.07047	98.6
83.04967	1.8
83.08602	10.1
85.06541	1.8
91.05470	16.4
92.38474	0.9
93.07033	51.6
95.04956	4.3
95.08595	80.2
97.06503	3.6
97.10140	6.0
97.37305	1.0
98.21461	1.8
99.08062	2.1
99.63098	1.1
105.07020	12.2
107.08577	32.0
109.06499	2.2
109.10145	42.3
111.08049	1.7
111.11694	1.7
113.09589	1.3
117.07017	8.1
119.08574	12.6
121.09257	1.6
121.10133	31.4
123.08067	1.4
123.11692	24.6
125.09609	1.2
129.07005	1.6
131.08549	17.0
133.10117	12.5
135.11679	22.4
137.13243	7.7
143.08569	0.9
145.10120	11.0
147.11671	7.3
149.09673	1.2
149.13234	15.2
151.14818	1.8
158.78435	0.9
159.11696	12.4
161.13217	6.1
163.14815	6.4
163.15994	1.0
163.33615	0.9
173.13271	10.9
175.14810	4.4
177.16397	3.7
187.14784	7.5
189.16393	3.4
191.17970	2.8
193.15918	1.2
201.16382	3.6
207.17435	1.8
215.17981	1.3
219.17445	1.9
233.18896	2.4
261.25726	5.9
271.24173	9.5
289.25235	100.0
290.25534	3.2
291.26721	1.2
295.69080	1.0
306.32019	1.2
307.26221	3.2
318.76373	1.2
363.28876	8.0
381.30002	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	381.2997
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	2.0
55.05508	15.8
57.03421	3.3
57.07066	5.3
58.54639	0.9
59.82232	1.0
65.03933	2.4
67.05502	86.7
69.07066	18.3
69.47240	11.5
71.04996	2.6
79.05490	40.2
81.07053	89.4
82.07378	1.1
83.04970	2.4
83.08627	9.5
85.06531	1.6
91.05475	19.2
93.07039	47.9
94.06557	4.6
95.04965	4.4
95.08602	77.2
96.08893	1.5
97.06522	3.6
97.10149	4.8
105.07031	12.5
107.08590	31.8
109.10152	42.3
111.08133	1.6
111.11730	1.8
117.07014	8.4
119.08567	13.1
121.10136	29.7
123.11691	19.8
131.08566	17.3
133.10109	11.8
135.11693	24.6
137.09610	1.5
137.13280	8.9
145.10124	15.0
147.11682	9.6
149.13235	14.7
151.14806	1.9
156.31064	0.9
157.10202	1.1
159.11684	9.3
161.13275	4.4
163.14824	9.3
173.13271	11.5
175.14801	5.3
177.12822	1.5
177.16389	3.1
187.14864	6.2
189.16399	3.4
201.16327	3.8
205.19664	1.2
213.10242	4.0
215.17949	1.5
219.17499	1.1
233.18906	2.6
247.20601	1.6
255.15019	1.9
261.22226	0.9
261.25714	5.7
271.24210	9.7
289.25250	100.0
290.25598	5.1
307.26328	3.8
339.24191	3.8
363.28952	7.1
381.29932	21.0
382.30408	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.263
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	16.6
53.77121	2.8
55.01865	22.7
55.05506	93.2
57.03429	24.1
59.05013	2.7
60.39848	2.9
65.03926	7.6
67.05498	96.2
69.03398	4.7
69.07059	35.6
70.02118	7.1
70.02543	10.2
70.06558	2.8
70.07334	3.2
71.04980	36.3
71.44250	2.7
72.08127	8.1
72.56966	2.6
73.06552	4.5
79.05486	89.4
81.03419	16.3
81.07049	100.0
83.04956	17.0
83.08612	74.8
85.02863	3.4
85.06533	7.1
85.83090	2.6
87.67814	2.7
91.04925	5.1
91.05473	75.8
93.07037	83.6
95.04961	94.3
95.08600	55.5
97.06526	20.0
97.10138	12.5
103.05406	4.0
105.04556	3.8
105.07024	61.2
105.20090	3.1
107.04948	39.5
107.08588	48.9
108.97802	2.8
109.06536	14.4
109.10156	31.3
111.08061	15.0
112.30307	2.8
115.05476	3.3
117.07023	26.8
119.08560	47.7
121.06486	24.1
121.10142	36.5
123.08032	15.1
123.11702	5.7
125.09637	16.7
128.06213	4.7
129.06967	10.4
130.07816	4.1
131.08545	39.0
133.10118	36.6
135.08038	11.2
135.11707	21.2
135.31877	3.0
137.09618	5.7
139.11150	5.6
141.06935	5.1
142.79715	3.1
143.08527	9.2
145.10112	46.6
147.08009	10.4
147.11687	24.8
149.09602	52.6
149.13203	5.2
151.11179	6.8
153.09094	3.1
155.08531	3.2
157.10098	6.5
159.11665	25.5
161.13278	9.0
163.11156	56.5
165.12756	9.5
169.10110	7.7
171.11684	7.2
173.09647	4.1
173.11774	3.0
173.13248	9.9
175.11119	6.2
177.12749	15.4
179.10789	2.7
179.14255	5.4
183.11671	6.9
185.13251	3.6
187.11171	9.4
189.11165	5.2
191.10699	4.6
191.14284	4.3
193.12198	3.6
197.13277	5.7
205.12202	21.7
207.13823	5.0
219.13892	3.5
223.13348	8.1
229.19464	9.7
239.17900	11.1
247.20631	3.8
257.18915	15.6
275.20053	81.0
276.20367	4.0
293.21082	8.4
301.12125	3.0
307.22647	5.9
349.23828	21.0
363.14456	3.3
381.26355	42.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.2632
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	12.7
55.01869	24.6
55.05508	82.9
56.96559	23.1
57.03430	31.5
57.07081	3.3
59.04998	2.9
65.03930	6.9
67.05499	98.7
69.03423	9.7
69.07063	45.6
70.06570	5.4
70.97996	9.0
71.04990	34.6
72.08153	14.1
72.92767	2.9
73.06544	5.3
75.15228	2.7
79.05485	92.5
81.03413	13.1
81.07053	100.0
81.52322	2.5
83.04989	18.4
83.08613	68.3
85.02897	6.2
85.06525	9.8
91.05471	86.7
92.05817	3.2
93.07037	83.7
95.04961	84.2
95.08007	5.2
95.08598	69.0
97.06524	21.7
97.10136	15.6
98.97569	11.4
99.08103	4.8
105.07024	63.6
107.04935	31.8
107.08577	51.3
109.06516	25.0
109.10149	37.5
111.08073	17.9
115.05443	4.6
116.98631	7.4
117.07002	32.4
119.08575	57.7
121.06509	18.4
121.10142	44.0
123.08051	17.8
123.11723	6.3
125.09631	20.9
125.62694	2.6
128.98621	5.1
129.06982	8.4
130.07751	4.1
131.00157	3.9
131.08565	36.8
133.01569	2.9
133.06509	3.6
133.10127	41.2
134.99620	5.2
135.08031	16.5
135.11670	26.1
137.09607	10.3
139.11143	4.0
141.07028	3.8
143.08572	11.0
145.06444	6.4
145.10117	46.7
146.99657	5.4
147.08031	12.4
147.11679	23.4
149.01199	10.9
149.09607	52.6
149.13205	6.2
151.11179	7.4
154.07860	3.3
155.08539	7.7
157.10143	12.9
159.08020	4.8
159.11676	26.5
161.01196	4.1
161.09631	6.9
161.13266	6.6
162.13614	2.9
163.11186	57.3
163.14816	3.3
165.12758	11.8
167.02261	4.4
169.10205	5.5
171.11681	11.9
173.09598	19.6
173.13251	15.3
175.11223	5.2
177.00691	6.2
177.12714	13.5
179.14291	6.6
183.11722	6.6
187.11165	9.8
187.14792	6.2
189.11235	8.1
189.12749	5.3
191.10779	3.5
193.12259	3.8
197.13182	6.8
199.06367	7.2
201.12717	5.1
205.12190	16.1
207.13881	4.8
209.11641	3.6
214.05312	3.6
215.17914	4.3
217.07457	9.7
223.13264	10.0
229.07475	34.6
229.19554	6.2
239.17999	8.4
243.09137	4.4
247.08521	33.8
247.20572	6.0
248.44913	2.9
252.09026	3.8
253.15967	3.6
257.19012	14.3
261.18420	7.3
266.21207	4.8
271.16705	5.4
275.20056	65.7
280.30905	3.8
284.12787	4.5
289.17972	17.7
293.21103	7.8
297.74200	3.2
300.14114	7.9
300.64200	3.6
301.13077	3.0
307.18921	4.4
307.22601	3.6
310.23782	3.9
331.15802	9.3
333.17618	3.3
336.72955	3.0
339.67169	3.0
349.16806	7.3
349.23688	18.5
355.16870	3.8
363.21579	10.7
365.15472	7.4
381.19107	41.1
381.26523	22.4
381.31281	7.4
382.19913	3.6
399.20441	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	381.2631
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	6.4
55.01868	11.9
55.05505	44.0
56.05830	1.6
57.03429	20.3
57.07056	2.4
57.37898	1.1
59.04983	2.3
65.03920	3.6
67.05498	61.4
68.99805	1.8
69.03417	4.4
69.07063	28.7
70.06574	1.5
71.04986	49.1
71.73195	1.9
73.06538	4.7
76.07262	1.2
79.05486	54.1
80.05820	1.4
81.03422	9.1
81.07048	100.0
82.07354	2.0
83.04974	9.6
83.08616	33.2
84.08905	1.9
85.02898	2.8
85.06536	5.8
91.05470	48.2
93.07035	50.3
95.04962	38.9
95.08595	45.3
97.06519	14.5
97.10154	5.5
99.04454	2.1
99.08094	3.2
103.05473	1.8
105.07020	44.4
107.04944	14.1
107.08582	29.7
109.06515	14.8
109.10136	17.3
111.04434	4.4
111.08087	10.2
113.09626	3.8
115.05465	1.9
117.06998	17.6
119.08573	33.0
120.08894	1.5
121.06495	12.2
121.10127	23.4
123.08048	11.3
123.11718	7.3
125.06026	1.3
125.09592	6.7
128.06209	1.8
129.06981	5.0
131.08560	23.6
133.06444	2.0
133.10117	27.0
135.08041	8.3
135.11670	12.7
137.09599	4.3
139.11177	4.0
139.74290	1.6
141.07027	2.1
143.08553	4.5
145.06462	1.6
145.10115	24.0
147.08025	3.9
147.11670	21.2
149.09607	25.0
149.13243	5.4
151.11163	6.2
155.08517	3.4
157.10074	6.1
159.08043	2.5
159.11690	13.9
161.09641	3.8
161.13225	5.3
163.11174	26.6
163.14828	1.7
165.08907	1.5
165.12761	8.1
167.10590	1.6
169.10156	4.3
171.11667	4.9
173.09557	3.4
173.11938	2.1
173.13193	8.4
173.60123	1.2
175.11163	3.3
175.14828	2.5
177.12749	7.5
179.14320	2.3
183.11674	3.6
185.13300	2.1
187.11136	2.6
187.14809	2.7
189.11247	3.4
189.12776	2.0
191.10680	1.6
191.14275	2.5
193.12279	3.1
197.13216	3.4
199.14830	1.5
201.12532	1.5
205.12222	9.1
207.13773	3.9
213.16385	1.8
223.13289	5.1
229.19466	4.1
239.17944	5.5
247.20578	5.5
251.16385	1.7
257.18988	9.4
267.06702	1.6
275.20047	48.3
276.20502	3.8
279.15869	2.2
289.21564	1.8
293.21118	4.0
307.22577	10.7
331.22797	2.7
336.33121	1.6
349.23679	9.9
363.21347	1.8
381.21634	2.3
381.26428	34.1
381.31027	1.6
382.26797	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	381.2632
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	12.4
55.01872	21.3
55.02096	4.9
55.05505	85.3
57.03430	35.6
57.07058	5.1
59.04984	12.0
59.28448	3.9
65.03542	4.4
65.03930	6.3
67.05136	6.5
67.05500	100.0
69.03419	4.4
69.07066	37.4
69.76319	19.4
69.76741	4.7
70.06564	7.6
71.04984	38.0
72.08133	13.4
72.11987	4.1
79.05032	6.2
79.05486	85.5
81.03411	13.3
81.07046	93.3
83.04966	15.5
83.08614	63.8
85.02916	4.6
85.06525	7.7
91.05471	79.7
93.07042	84.7
94.07362	5.3
95.04343	4.5
95.04960	91.9
95.08603	64.2
97.06506	17.8
97.10167	15.4
105.07022	68.5
107.04964	31.6
107.08589	59.0
109.06512	19.3
109.10142	29.6
111.04429	4.3
111.08067	13.3
117.06992	27.8
117.73934	4.1
119.08556	54.2
121.06480	17.6
121.10132	40.0
123.08057	19.4
123.11707	9.8
125.09634	11.2
125.49528	4.4
129.06978	11.6
131.08577	43.4
133.10126	48.5
135.08037	10.8
135.11658	19.0
137.09634	9.7
139.11203	8.4
143.08589	9.2
145.06467	6.5
145.10126	49.0
147.08090	6.9
147.11674	22.8
149.09619	40.9
151.11174	8.1
152.13921	4.4
155.08601	4.6
157.10107	12.8
159.11705	24.1
161.13228	7.0
163.11169	55.1
165.12715	11.9
168.10228	6.7
169.10059	6.8
171.11682	8.9
173.09596	11.1
173.13243	12.2
175.11206	5.5
177.12727	15.8
183.11665	7.9
183.93802	4.1
185.13313	6.5
187.14857	5.0
189.11214	5.4
191.10713	5.9
194.11652	5.5
197.13275	9.1
205.12279	15.2
207.13756	4.6
215.18071	5.0
223.13237	8.4
229.19450	7.0
239.18056	8.2
247.20612	8.9
249.24554	4.1
257.19046	17.8
266.21039	4.9
273.09592	3.9
275.20047	76.7
293.21024	5.5
306.99802	3.9
307.22815	7.0
310.23666	5.2
349.23694	16.2
381.26886	31.0
381.31165	7.9
382.27383	24.7
389.64017	4.5
394.93741	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1905
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	1.0
55.05490	0.8
57.03442	1.1
59.23265	0.4
67.05490	1.7
69.03411	1.8
69.45435	0.4
69.66901	3.2
70.06577	1.7
71.04996	0.4
72.08137	0.9
73.02879	0.6
79.05493	2.1
80.08057	0.4
81.03413	3.3
81.07059	2.5
85.02887	0.9
86.09686	1.4
91.05470	8.0
93.07047	2.2
94.06564	0.4
95.04963	0.9
95.08622	1.1
99.04453	0.6
103.05466	0.8
104.10751	0.9
105.07023	17.8
105.11024	0.4
107.08557	1.6
108.08109	1.6
109.02859	0.8
113.39199	0.4
115.05448	1.5
116.06264	1.0
117.07011	10.4
118.33532	0.4
119.08585	4.2
120.08108	0.8
121.06526	0.5
121.10143	0.6
122.09654	0.6
122.54185	0.4
123.04487	0.4
128.06194	2.2
129.06987	4.6
130.07782	10.5
131.08557	23.1
133.10117	1.2
135.11617	0.5
136.11192	0.6
137.02309	0.4
141.06970	0.4
142.08650	1.9
143.08542	8.8
144.09335	2.2
145.10112	100.0
146.10413	3.4
147.07974	0.6
150.12755	1.3
151.13531	1.2
152.05653	0.9
153.20352	0.4
155.08553	0.6
157.10179	1.2
158.10910	6.1
159.08080	0.9
159.11639	0.7
171.11676	0.4
173.13249	47.0
174.13632	1.3
178.15826	0.5
183.11703	1.5
184.07281	0.9
194.15436	0.8
201.12730	28.3
202.13077	1.0
210.14847	0.7
219.02895	0.5
219.13759	5.1
238.14455	0.4
240.15938	21.0
241.16335	0.6
247.02313	0.6
261.18307	0.4
289.14221	0.4
301.15729	0.6
306.33212	0.4
318.07245	0.4
323.05591	0.6
327.13565	0.7
335.09137	0.5
345.14658	1.0
363.15311	0.9
381.05298	3.2
381.09711	2.2
381.19095	10.1
381.22586	0.4
382.19504	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1241
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67296	0.9
56.96560	6.6
57.03445	0.8
70.06573	1.0
71.73625	1.4
81.03423	0.8
84.08134	1.0
85.02898	1.8
88.03186	0.7
98.97570	23.8
101.00874	2.7
103.02437	0.8
110.06064	0.8
110.97575	3.0
112.99144	2.3
113.00837	1.0
115.00731	1.1
115.02442	2.8
116.98606	9.7
116.99414	1.1
119.01910	6.6
128.98615	2.8
129.02267	2.5
129.04015	2.9
131.00188	3.1
131.01901	6.6
133.01756	1.4
133.03458	13.5
134.99638	3.1
135.03172	0.8
141.02245	0.8
141.03932	1.1
143.01907	3.3
143.05521	1.4
145.01726	1.0
145.03416	5.0
146.99622	2.7
147.03290	4.6
147.05029	9.7
149.01291	1.2
151.04506	1.5
153.04019	0.8
155.01894	4.8
157.03467	4.7
158.99648	2.8
159.03287	3.9
159.05029	7.7
161.02974	3.2
161.06621	2.3
165.04221	1.0
165.06078	2.3
169.03464	1.1
171.03415	1.9
171.05026	7.2
173.02942	7.6
175.02950	1.5
175.04553	4.3
177.00737	3.3
177.04346	10.3
177.06076	6.4
179.01833	1.2
179.03932	0.8
183.03458	1.5
183.05048	5.4
185.02936	2.2
185.06589	2.1
187.04552	3.0
189.00720	0.9
189.04311	3.6
189.06111	4.3
189.93321	0.7
195.05394	3.4
195.07133	5.8
197.02974	2.7
197.06641	1.8
201.04335	7.2
201.06129	4.2
203.04042	3.3
203.07684	0.9
205.03816	1.5
211.04611	1.5
213.06163	2.2
215.07748	1.1
219.01761	5.2
219.05348	2.4
219.07137	22.2
220.07233	1.4
221.05020	8.1
223.04816	1.8
225.06052	2.7
226.06403	0.9
231.07112	22.9
232.07339	1.5
233.08769	5.5
237.02806	9.1
245.05081	7.4
247.04614	1.1
255.07135	6.7
259.06644	1.7
261.05945	1.0
261.08240	2.9
265.05811	1.0
273.08102	5.5
295.07047	2.2
321.10468	100.0
322.10678	7.5
339.09531	14.5
381.07196	1.8
381.12512	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	381.1693
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	0.9
55.01849	0.8
55.05487	0.8
58.76015	0.6
65.03924	1.1
67.05490	1.5
69.47826	5.6
70.06580	2.4
72.08126	0.8
79.05487	3.5
80.85510	0.6
81.03406	1.3
81.07040	2.4
84.04518	0.8
84.08131	2.3
85.02876	0.5
86.09692	2.4
91.05474	9.6
93.07037	1.8
94.04177	3.7
95.01294	0.8
95.04979	3.4
98.21465	1.1
103.05447	4.4
104.06231	1.9
105.03403	1.0
105.07001	2.3
106.06535	1.0
107.04947	2.4
109.06481	1.3
115.05454	4.9
117.07014	3.8
119.04900	1.8
119.08564	1.1
120.08098	3.8
121.06483	1.8
122.03638	9.2
123.04427	5.2
128.06206	1.7
129.06996	2.0
129.10243	0.9
131.04907	4.4
131.08594	0.9
132.05719	5.9
133.06496	2.0
135.04401	18.9
136.06134	0.8
137.05965	100.0
138.06322	1.6
141.06987	1.7
143.04929	0.8
143.08516	0.7
143.11807	0.6
144.05692	1.7
145.06482	3.5
147.08031	2.4
148.12056	0.7
149.05977	1.9
151.07550	6.2
153.05504	0.8
153.06982	1.2
154.07745	1.1
155.08521	1.6
157.06447	1.1
158.06042	0.7
158.07260	2.1
159.08049	2.1
160.05185	4.2
161.05936	4.9
161.09586	0.8
163.07559	2.7
165.05605	0.7
165.06981	1.3
166.07834	0.9
167.08545	1.5
168.05623	0.8
169.06493	2.4
170.07266	1.5
171.08022	1.4
173.09595	2.3
174.06747	1.7
175.07532	72.3
176.07925	2.4
179.08630	0.7
181.06511	2.1
182.07280	1.6
183.08089	2.7
184.08788	1.9
185.06052	0.8
185.09572	2.0
185.60246	0.6
187.07507	3.2
187.11209	1.3
189.09093	15.9
189.10815	0.9
191.07004	1.3
195.08095	2.7
196.08890	3.9
197.05981	1.8
197.09627	1.4
198.06750	1.1
199.07529	3.9
199.11194	1.0
200.08345	1.1
201.09099	7.1
201.12691	0.7
203.10677	1.2
208.08755	1.4
210.05820	1.1
211.07570	1.8
212.08315	7.3
213.09113	8.1
214.09825	4.0
215.10686	2.9
224.08232	1.0
225.09097	4.6
226.09859	1.8
227.10649	12.8
228.11008	0.7
231.10220	1.0
232.08621	0.8
238.05444	1.3
239.10634	9.8
240.11398	1.5
241.12210	1.5
245.11784	1.7
249.09113	1.0
257.11713	15.2
258.12183	1.1
261.09235	0.8
265.08743	1.1
271.07639	0.8
271.11111	0.9
273.09012	1.2
275.10770	0.8
277.08612	1.2
279.06525	0.7
281.11612	0.7
288.11447	0.7
291.10266	0.8
297.11194	1.1
299.91098	0.6
301.08798	0.9
301.25970	0.6
303.10431	0.9
303.13776	2.6
309.11221	1.9
316.11047	1.0
317.11655	0.7
318.12561	0.6
321.11295	0.7
321.14789	2.5
331.13269	4.0
335.12350	0.6
348.13791	0.6
349.14413	5.4
351.15814	0.8
363.12479	0.6
363.15961	6.6
381.12888	1.0
381.16992	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	381.0789
Annotation	Unknow
Peak:m/z	Relative Intensity
67.89585	3.3
71.19025	8.1
71.19377	4.4
77.03122	4.2
100.20950	3.6
174.53589	4.8
182.41547	4.6
188.89197	3.8
201.01549	4.8
340.52365	4.4
381.07867	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.079
Annotation	Unknow
Peak:m/z	Relative Intensity
53.19105	5.1
57.78543	5.4
68.32992	5.5
70.23319	21.9
73.96918	4.6
146.62622	6.2
146.75899	5.0
183.06488	6.3
259.04657	6.2
312.63510	5.1
327.11475	4.7
331.15894	5.2
381.07944	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.0965
Annotation	(+)-Parviflorol
Peak:m/z	Relative Intensity
50.73821	0.1
53.03945	0.5
53.49690	0.1
55.01864	1.8
55.05469	0.3
57.03431	1.5
57.07054	0.1
61.02898	0.1
65.03924	0.3
67.05489	0.6
67.98278	0.1
68.99419	0.1
68.99770	1.6
69.00122	0.2
69.03423	0.7
69.07019	0.4
70.06550	0.2
71.29558	0.2
72.08108	0.4
77.03907	0.2
79.05463	0.8
81.03401	1.5
81.07050	0.7
83.01290	0.1
83.04944	0.1
83.08582	0.1
84.08114	0.2
85.02895	3.0
85.06489	0.1
86.09636	0.1
91.05470	1.8
92.99252	0.1
92.99744	1.0
93.03361	0.2
93.07046	0.5
94.06557	0.1
95.01324	0.6
95.04955	1.2
95.08587	0.6
97.02879	0.9
97.06496	0.3
97.10114	0.2
103.04836	0.1
103.05453	1.8
105.03378	7.1
105.04462	0.3
105.07024	0.6
106.03688	0.1
107.04929	0.5
107.08533	0.4
109.02862	1.6
109.06468	0.3
109.10117	0.2
115.05439	0.6
117.06963	0.3
119.04932	0.8
119.08514	0.4
120.08096	0.1
121.02866	1.4
121.06483	0.3
121.08405	0.1
121.10096	0.2
122.05992	0.1
123.00804	0.4
123.08050	0.2
125.09589	0.1
127.03844	0.2
129.03352	3.6
129.04337	0.2
129.06956	0.2
131.04907	1.0
131.08505	0.3
133.02812	0.2
133.06404	0.1
133.10059	0.2
135.03445	0.1
135.04362	0.5
136.06181	0.5
137.02303	0.6
137.04510	0.4
137.05772	0.1
138.05498	0.2
139.05791	0.2
139.11205	0.2
141.01810	3.3
141.06973	0.2
143.08511	0.2
145.02794	0.5
145.10063	0.3
147.04393	3.7
147.11644	0.3
149.02351	0.6
150.05447	0.2
151.03860	0.3
151.06143	0.1
153.01775	0.3
153.03305	0.3
153.06917	0.1
157.10158	0.2
159.04367	0.9
159.07999	0.1
159.11650	0.3
161.02299	0.2
161.09525	0.2
163.00229	0.5
163.03885	0.9
165.01817	12.4
166.02121	0.2
167.03358	1.1
168.06581	1.0
169.02866	0.9
169.06909	0.7
169.10014	0.1
171.04367	0.5
173.02173	0.1
173.09586	0.3
173.13148	0.1
175.03868	0.7
177.01776	0.3
177.05473	0.7
178.99750	0.2
179.03372	0.3
179.08490	0.1
181.04919	0.6
181.06361	0.1
181.09940	0.1
183.02863	7.7
187.03893	1.8
187.11096	0.2
189.01811	1.1
190.02559	0.2
190.99698	0.3
191.03317	0.5
191.08505	0.2
193.04971	0.2
195.02757	0.2
195.06596	0.1
197.00717	0.3
197.02351	0.2
199.03944	0.1
201.16293	0.1
202.02542	0.1
203.03346	0.9
203.08540	0.1
205.04950	1.8
205.10153	0.1
205.12161	0.2
207.02869	0.9
207.08147	0.1
208.03636	0.1
209.00830	0.6
209.05904	0.4
213.05461	0.9
215.03345	0.9
215.08469	0.4
215.17976	0.1
217.05116	0.1
221.04300	0.6
223.07524	0.4
224.08325	0.2
226.06149	0.3
231.02878	0.3
231.08089	0.2
233.04382	1.2
235.07513	0.2
237.05396	0.1
237.08992	0.2
238.06242	0.2
239.07025	1.0
240.07692	0.1
243.02875	0.6
247.07686	0.1
249.09113	0.2
250.06123	0.2
251.07005	4.7
252.07439	0.3
253.04915	0.1
254.05746	1.1
255.06497	7.2
256.06900	0.2
257.04425	1.3
261.03931	0.7
261.09079	0.6
261.18399	0.2
263.07007	3.3
264.07666	0.6
265.04974	1.1
265.08560	4.7
266.05624	0.2
266.08853	0.2
267.06479	100.0
268.06876	3.8
271.16760	0.3
273.09076	0.4
275.07043	0.4
276.07809	0.1
277.08597	2.4
278.05875	0.6
278.08600	0.2
279.06479	6.5
279.10089	4.9
280.06970	0.4
280.10513	0.3
281.04431	1.8
281.08047	5.0
281.11206	0.2
282.08414	0.1
283.05936	0.2
287.06943	0.2
289.08545	6.6
289.17999	0.3
290.09033	0.2
291.06473	5.5
292.07245	4.3
293.04407	4.8
293.08029	10.7
294.05164	0.2
294.08261	0.5
295.06015	1.8
295.09296	0.3
297.07547	2.4
299.06775	0.1
303.06686	0.2
304.07281	0.7
305.08051	7.5
306.08502	0.5
307.06177	1.8
307.09583	28.2
308.06625	0.2
308.09897	1.2
309.07520	0.6
315.06375	0.2
316.06961	0.1
317.08032	6.9
318.08194	0.3
319.05975	1.3
319.09595	0.4
320.06781	0.3
321.07544	4.4
325.06955	0.2
331.05786	0.2
333.07529	30.2
334.07944	1.6
335.09082	6.8
336.09503	0.2
337.06909	0.4
337.19928	0.1
345.07535	10.2
346.07901	0.6
351.08591	5.5
352.09195	0.1
363.08585	21.6
364.08936	1.1
381.09644	30.6
381.21957	0.9
382.10028	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.3155
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21210	0.4
55.05502	9.4
56.05002	0.5
57.05801	0.9
57.07070	0.8
63.00218	0.4
65.03416	0.5
67.05493	8.6
68.58636	0.4
69.07064	2.1
69.51357	0.4
71.08636	0.5
72.08144	100.0
73.08501	0.7
74.09721	0.4
79.05504	2.3
81.07043	9.3
83.08607	1.8
84.90762	0.4
91.05476	2.2
92.85938	0.4
93.07037	1.9
94.66553	0.4
95.08590	8.1
97.06505	0.8
97.10162	0.5
98.21494	0.7
105.07027	1.6
107.08601	1.3
109.10142	3.9
111.08076	0.6
118.08638	45.7
119.08611	0.8
121.10139	1.6
122.16486	0.5
123.11697	1.3
133.10124	1.2
135.11674	1.2
137.13281	0.5
147.11696	1.0
150.04375	0.4
161.13242	0.7
163.14764	0.5
177.16570	0.5
179.17831	0.4
218.78763	0.4
221.50023	0.4
229.50641	0.5
245.22704	1.8
263.23776	1.2
281.12814	0.5
307.21426	0.5
334.30981	4.0
380.31573	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	380.2791
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.8
55.01864	1.3
55.05505	7.1
57.03439	1.2
58.99552	0.5
66.53103	0.4
67.05499	4.3
68.05027	3.9
69.03409	0.7
69.05807	6.1
69.07066	4.4
69.49226	4.6
70.06584	53.0
71.04982	1.9
71.06905	0.9
72.08134	1.3
79.05492	3.8
79.13424	0.4
80.05019	1.4
81.03415	1.3
81.07051	5.1
82.06574	2.7
83.04971	2.4
83.07349	7.2
83.08615	4.9
84.08139	5.2
85.02895	1.2
85.06558	0.6
86.06087	0.5
87.02680	0.7
87.04458	0.9
88.03992	0.8
91.05472	4.2
93.07036	4.8
96.08146	0.9
97.06528	1.3
97.10168	1.4
98.09688	1.4
99.04424	1.4
105.07021	3.8
106.06501	0.4
107.04918	0.6
107.08582	4.2
108.08058	0.6
109.06500	1.6
109.10135	1.7
110.09686	1.0
111.04422	3.8
111.06820	0.4
111.08080	0.7
113.04205	0.5
117.06992	1.3
118.54533	0.5
119.08604	3.0
120.08069	0.8
121.10143	3.3
123.08070	1.0
124.07587	0.5
125.09620	1.0
126.09142	0.8
129.06979	0.9
131.08554	1.4
132.01135	0.9
133.10126	2.3
134.09628	1.1
135.08040	0.6
135.11653	1.8
143.08565	0.9
144.08014	0.5
145.10089	1.9
147.10577	0.5
147.11693	1.5
149.09602	1.7
150.12730	0.5
158.07515	0.4
159.04688	1.0
159.08089	0.7
159.11644	0.5
161.09605	0.9
161.13309	0.8
162.12790	1.4
163.11195	1.2
167.08707	0.5
168.03558	0.4
171.11546	0.5
173.09601	1.4
173.13248	1.0
187.00398	0.4
189.11244	0.7
191.10764	0.5
202.08881	4.3
202.15833	2.3
206.15334	0.8
208.16969	1.4
223.13319	0.8
226.17981	4.9
236.16417	6.7
246.14781	1.4
254.17485	98.7
255.17841	4.8
266.12067	1.2
271.16843	0.7
275.20010	0.9
288.23077	1.3
289.17953	1.1
307.19009	0.7
310.14700	1.0
336.19873	2.2
337.20435	0.5
338.21301	2.4
362.26706	1.1
363.21744	1.0
380.22556	10.3
380.27866	100.0
381.16940	0.8
381.22565	3.3
381.28192	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	380.2278
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01848	1.4
55.05513	4.3
57.03428	0.9
59.04984	1.1
61.02897	1.4
67.05498	6.4
69.03423	1.6
69.07042	3.6
70.06568	2.5
71.04980	2.3
71.44965	1.4
72.08142	2.3
79.05500	4.6
79.58400	0.7
80.02879	0.6
80.50620	0.7
81.03396	2.6
81.07047	14.2
81.78693	0.7
83.08598	2.4
84.04519	0.8
84.08122	1.0
85.02892	2.1
85.06509	1.1
86.09681	2.5
87.05593	1.0
91.05470	6.9
93.07032	4.7
95.01335	2.2
95.04944	1.9
95.08617	3.9
97.02888	1.2
97.06557	0.8
105.07008	6.6
107.04935	2.3
107.08569	3.0
109.10094	1.6
117.07053	1.1
119.03519	2.3
119.08567	2.9
119.85951	0.7
120.08127	3.6
121.02762	0.7
121.06509	1.1
121.10125	5.0
122.06019	1.0
123.06768	1.1
123.08040	1.5
123.11695	17.1
123.46272	0.7
129.07002	1.4
131.08546	1.5
133.10091	2.0
135.04391	0.9
136.06171	100.0
137.04628	1.9
137.13217	1.1
138.05486	3.6
143.08475	0.9
144.76653	0.8
145.06544	1.0
145.10124	2.3
147.11670	9.1
149.13239	1.0
150.05490	2.5
151.03857	1.0
151.06303	1.3
151.07588	0.8
155.08441	0.9
157.10088	0.8
159.11684	1.2
160.07567	0.8
161.09628	1.0
165.12709	7.7
168.06549	12.7
173.09636	2.2
173.13031	1.3
177.09230	0.9
180.10222	1.7
183.13841	2.5
187.11198	0.9
205.12234	1.0
208.16922	1.2
226.64177	0.8
227.16403	1.3
237.10115	1.5
243.17448	0.8
252.49107	0.8
256.62863	1.0
271.17001	1.0
277.22546	0.8
289.17819	1.5
326.72421	1.0
330.19089	0.9
344.20813	1.1
344.27866	0.8
348.20282	11.4
352.08914	1.1
362.22290	1.0
380.08395	4.9
380.23029	23.2
381.09756	1.7
381.14621	1.1
381.22583	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.6
55.01866	6.8
55.05512	4.4
57.03433	5.7
61.02916	3.8
61.97969	2.6
65.03979	2.9
67.05495	24.2
69.03423	18.7
69.07056	3.4
70.06593	16.7
70.06918	3.7
70.84692	5.9
70.85062	5.5
71.04977	7.6
72.08132	7.8
73.02898	3.4
79.05498	7.8
79.22292	2.9
81.03406	9.1
81.07048	12.2
84.04488	4.9
84.08119	5.3
85.02900	22.4
86.09700	7.0
91.05462	20.6
93.07034	20.7
95.04966	7.2
95.08604	64.6
97.02863	5.4
97.06464	2.7
99.04439	5.4
105.07020	10.6
109.02852	6.3
109.05106	4.0
109.06515	5.7
109.10133	27.5
113.05975	3.3
117.07001	6.7
119.08580	33.7
120.08101	5.3
121.10134	4.1
123.08020	2.7
127.03904	4.5
130.07794	4.5
131.08528	9.0
137.09604	68.5
143.08551	4.0
145.04979	3.9
145.10112	32.6
147.04308	3.6
150.07742	100.0
152.05661	28.9
153.04097	5.3
155.10649	35.7
165.09113	40.4
173.13266	16.4
180.08568	5.8
183.10172	39.5
194.50157	2.8
201.11211	82.3
201.12991	6.8
212.26564	3.0
215.14261	3.3
219.13710	3.3
241.37378	2.9
267.06363	3.5
272.06314	3.1
279.06503	7.2
283.06003	11.8
284.06305	11.9
292.22812	3.9
293.07941	3.5
296.06372	7.0
305.07935	3.4
309.07251	5.3
309.11035	3.2
321.07608	4.0
324.09412	5.3
333.07458	9.4
334.07919	3.8
352.08719	5.0
362.07330	16.6
362.18173	4.9
362.21948	28.5
363.08542	11.8
380.08508	33.5
380.23209	45.3
381.05872	12.6
381.09720	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	380.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03431	0.5
51.87414	0.5
55.01864	0.9
55.05480	1.0
56.05031	10.8
57.03423	0.9
58.06605	5.2
67.05483	1.1
68.05006	1.3
69.03404	1.5
69.07044	0.7
69.55368	5.9
70.06572	2.2
71.04948	0.6
72.08147	2.7
72.73491	0.5
74.06070	23.1
79.05498	1.1
81.03387	0.8
81.07044	2.0
84.04497	7.3
84.08124	1.5
85.02872	0.5
86.06055	3.3
86.09698	47.6
87.05568	1.5
87.10016	1.1
87.89654	0.6
89.75163	0.5
91.05459	1.6
93.07037	1.4
95.04961	0.9
95.08575	1.1
98.09679	1.9
98.21455	1.1
99.59338	0.5
100.07597	1.2
101.07133	23.3
102.05505	0.8
103.05468	0.7
104.10708	1.2
105.07009	2.1
107.04932	1.3
107.08585	0.8
117.07009	1.3
120.08097	15.6
120.08961	0.7
121.02849	1.4
124.11211	1.1
124.78497	0.6
126.09144	2.7
126.12799	2.9
130.07777	1.3
131.04909	0.8
131.08575	2.8
135.02950	0.7
136.07599	0.6
138.63435	0.6
142.12254	9.5
143.08560	1.0
143.11774	6.6
145.10126	9.8
152.05656	18.4
153.04097	1.4
155.39932	0.6
157.10245	0.7
165.01859	0.8
166.08600	6.6
169.13210	1.3
173.13246	5.4
184.07324	0.8
187.14400	100.0
188.14719	3.1
191.56158	0.6
194.37914	0.6
201.12746	3.5
213.83328	0.7
215.13895	24.7
219.13675	1.5
221.12828	1.6
279.17035	2.9
283.05978	1.3
284.06509	1.2
285.45398	0.6
292.22745	1.1
296.06284	0.9
297.07608	0.7
299.05328	1.1
325.07254	0.8
335.09158	1.0
339.08603	0.8
352.08981	0.7
362.07275	0.8
363.08539	2.4
380.08472	6.3
380.13086	0.9
380.19415	1.8
381.05371	0.9
381.09943	4.7
381.19101	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.0795
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03968	0.1
55.01860	0.1
55.05502	0.2
63.02361	0.1
65.03932	3.2
67.05495	0.3
68.99766	0.2
69.03423	0.2
69.07044	0.2
70.06587	0.8
71.04980	0.2
71.12782	0.1
71.75510	0.2
72.08144	0.9
79.05491	0.3
80.61386	0.1
81.03421	0.2
81.07018	0.4
84.08130	0.3
85.02888	0.3
86.00660	0.3
91.05470	100.0
92.05798	2.2
93.03336	0.1
93.07017	0.2
95.01322	0.2
95.04982	0.2
95.08629	0.2
97.07623	0.2
103.05429	0.2
103.86925	0.1
105.03398	0.7
105.07014	0.3
107.04935	0.2
107.08550	0.2
107.80641	0.1
109.05130	0.1
114.10269	0.6
116.07088	0.2
119.04961	0.2
121.02874	0.3
121.06443	0.1
121.10110	0.1
123.00797	0.7
123.11746	0.1
129.03372	0.2
131.04927	0.2
131.08560	0.2
132.01134	0.2
132.08083	0.2
133.06544	0.1
136.06183	0.2
137.02313	0.1
137.04198	0.3
141.01830	0.2
141.06990	0.2
147.04404	0.4
147.11685	0.2
149.45613	0.1
150.07736	5.4
159.29562	0.1
165.01799	0.8
165.99384	0.1
168.06609	0.2
180.01140	0.2
182.02707	0.2
183.02927	0.5
187.03873	0.2
189.01904	0.2
195.04732	0.2
196.11176	0.1
203.03401	0.2
205.05000	0.2
207.02876	0.2
210.02109	0.3
226.01727	0.3
227.02463	0.2
228.03297	0.6
244.02817	0.3
251.07053	0.4
254.01134	0.4
255.06546	0.5
261.11880	0.2
263.07040	0.3
265.08731	0.3
267.06497	7.6
272.02200	0.7
277.08597	0.2
279.06546	0.5
279.10168	0.4
281.04486	0.1
281.08060	0.3
289.08478	0.4
290.03323	0.4
290.08414	1.2
291.06488	0.4
292.07339	0.3
292.26422	0.3
293.04727	0.3
293.08102	0.8
295.05994	0.2
296.06384	0.2
297.07425	0.3
305.08118	0.6
307.06296	0.2
307.09570	2.3
308.06454	0.2
309.07193	0.3
317.08118	0.5
318.08044	0.4
321.07611	0.3
324.09555	0.2
325.06970	0.1
333.07498	2.3
334.07730	0.3
335.09079	0.4
336.09000	0.3
344.05847	0.5
345.07709	0.6
351.08630	0.5
352.08896	0.8
362.06927	3.0
362.21912	1.9
362.25958	0.2
363.08536	1.5
363.33545	0.2
366.72620	0.1
380.08353	3.0
380.22885	1.9
381.05048	0.7
381.09906	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.19
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.5
55.01863	2.2
55.05489	0.9
57.07062	0.4
65.03923	0.6
65.27950	0.2
67.05495	1.7
67.78728	0.2
68.99781	0.9
69.03410	0.7
69.07047	1.2
69.74680	1.5
69.75101	0.5
77.03928	0.4
79.05485	1.3
81.03420	0.3
81.07050	2.1
82.24200	0.2
83.01324	6.3
83.08611	0.3
91.03908	0.2
91.05457	1.5
93.03383	0.8
93.06506	0.4
93.07042	5.1
95.04958	3.4
95.08580	0.8
98.20655	0.5
99.00786	0.7
105.03378	9.1
105.07011	0.8
107.01311	0.4
107.08579	6.6
108.72282	0.3
109.02878	0.7
109.06510	0.3
109.10134	1.5
119.08538	0.6
123.04395	1.1
123.11684	4.9
127.03897	0.8
129.03328	0.4
129.06900	0.3
133.02856	0.3
133.10022	0.3
135.11684	8.7
137.00519	0.3
137.02312	4.4
137.03333	0.3
141.01805	6.3
145.10069	0.3
147.04405	0.3
151.03894	7.4
155.03375	3.6
161.02335	0.3
161.05978	0.3
167.03375	2.6
169.04930	1.7
179.03374	78.5
180.03700	1.1
185.06007	0.4
191.03299	0.6
193.04985	1.9
197.04433	62.7
198.04781	1.1
203.03299	0.5
211.07564	0.5
217.04942	2.7
221.04523	0.4
222.14029	0.3
229.33218	0.3
235.06003	1.4
245.08058	3.9
257.08054	100.0
258.08414	2.7
269.08026	0.4
271.09528	1.1
281.08032	0.9
295.09680	1.9
295.12476	0.3
297.10977	0.4
301.14273	0.4
309.10925	0.3
323.12732	1.1
379.18991	14.2
379.30109	0.7
380.19244	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.2113
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.3
55.01855	5.6
55.05509	20.6
57.03428	3.7
57.07076	3.4
59.04999	3.3
65.03934	3.2
67.05495	45.7
69.03418	7.7
69.07061	14.3
71.04990	6.6
71.75180	3.7
76.88813	2.1
79.05482	47.9
81.03419	25.1
81.07047	100.0
83.04969	5.2
83.08620	15.1
85.06544	4.6
89.24582	2.3
91.05470	37.5
93.07034	32.2
95.04961	15.7
95.08597	27.8
97.06506	9.2
97.10152	4.2
99.08091	3.9
105.07028	31.0
107.04938	29.2
107.08574	23.5
109.06503	27.3
109.10146	10.6
111.08044	5.5
117.07007	11.6
119.08564	33.6
121.06483	8.9
121.10136	12.8
123.08044	8.7
123.11693	7.2
125.09665	3.2
129.06990	6.8
131.08548	21.8
133.06517	3.8
133.10118	23.2
135.08032	9.0
135.11687	8.8
137.09619	3.7
143.08595	6.5
145.10130	14.5
146.10547	2.2
147.08101	3.4
147.11694	21.3
149.09613	11.7
149.13235	3.6
151.11157	5.3
155.08505	6.2
157.10098	10.9
159.11674	8.9
161.09589	2.9
161.13190	3.7
163.11148	8.5
165.12848	5.1
171.11720	8.3
173.13249	7.0
175.11197	4.6
175.14767	4.0
177.12689	3.4
183.11523	3.2
185.13316	4.0
193.12225	4.1
207.13887	2.7
207.17482	2.7
222.84683	2.8
229.19530	4.0
239.17882	3.9
247.20613	5.3
257.18921	13.5
275.20047	85.9
276.20520	3.7
293.21100	36.1
315.27133	2.5
343.19131	2.8
352.24945	3.6
379.24829	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	379.1572
Annotation	Abafungin
Peak:m/z	Relative Intensity
56.96543	0.3
60.04520	0.4
62.85786	0.4
70.06583	2.4
71.29149	1.0
72.08159	0.4
72.93739	0.4
74.06080	2.1
75.37720	0.4
84.08132	0.8
85.02883	1.1
86.09688	1.0
91.05469	1.1
95.04936	0.4
97.02841	0.5
98.97559	0.6
105.07024	0.4
110.07219	0.4
116.07086	0.9
116.98561	0.4
119.04951	2.2
130.06522	0.7
136.07582	0.5
147.04390	6.0
157.05000	0.8
169.02626	2.1
188.07056	1.0
217.08569	0.6
217.10492	10.2
218.10777	0.4
233.02686	8.9
233.12787	0.4
233.14944	1.8
234.99019	1.7
265.05536	0.7
319.05029	0.5
342.66663	0.4
347.19965	0.4
379.06674	2.8
379.15726	100.0
380.16095	4.1
381.82117	0.4
385.49271	0.4
388.76419	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1856
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	7.5
55.05497	6.0
56.05016	22.2
66.97319	4.7
67.12474	4.2
69.03409	18.0
69.07039	6.1
70.06571	16.4
71.75874	8.7
72.08139	9.8
72.82940	5.1
79.05484	7.9
81.03381	8.9
81.07052	6.1
83.04958	32.4
84.04492	39.9
84.08129	10.5
85.02895	11.2
86.09676	14.4
87.05542	15.6
88.03910	4.8
91.05460	20.7
92.09859	5.1
93.07029	15.1
93.40414	5.2
95.04917	11.1
97.02886	9.5
97.95438	5.1
102.05527	12.8
105.07037	11.0
107.04951	7.4
107.08569	43.3
109.02900	12.2
109.06487	6.6
110.07139	6.0
116.04942	26.6
117.06968	8.2
119.08544	14.4
121.06490	25.0
123.07973	5.2
127.03924	11.3
131.08530	13.1
133.06084	12.8
133.10057	8.2
135.08037	71.7
137.05963	13.2
144.09286	7.3
145.06499	11.8
145.10103	8.4
149.09460	5.1
157.07593	11.7
158.10858	7.6
159.08023	11.8
159.11693	20.1
163.07513	70.6
171.08073	11.0
172.08803	9.9
173.09540	6.9
173.13205	27.8
175.08701	11.2
183.11702	7.6
186.10387	30.9
187.11182	44.9
196.08701	9.0
199.07562	6.6
201.12704	74.8
205.12190	10.2
211.11143	8.0
219.13768	11.2
228.08630	20.3
229.12216	98.7
230.12625	7.8
247.13280	46.5
280.88293	6.3
283.05927	9.4
316.15106	5.4
344.14865	10.7
361.07138	5.7
361.17526	100.0
362.15842	7.9
364.38675	4.9
365.45776	5.2
379.08133	19.0
379.14938	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	379.1358
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03459	0.4
55.01858	0.6
56.05014	0.7
56.18207	0.4
57.13644	0.4
60.04493	1.3
69.03397	0.6
69.07041	0.7
70.06583	9.0
71.06908	0.6
71.75546	0.4
72.08141	2.9
72.54225	0.4
79.05444	0.9
80.63103	0.4
81.03382	0.7
83.06076	0.4
84.04472	1.7
84.08134	4.4
85.02866	0.5
86.06028	0.4
86.09688	4.2
91.05463	0.8
93.07009	0.6
95.06070	0.7
102.05521	0.5
110.07151	2.0
112.08685	0.5
114.05492	0.8
114.33755	0.4
116.07101	0.6
120.08064	2.2
121.10134	0.6
124.05067	1.2
129.10210	2.1
130.04959	0.8
136.07596	0.5
137.05942	1.7
147.07607	0.5
149.04593	1.8
156.07755	0.6
161.08177	0.5
166.07367	0.8
188.09261	0.5
189.06506	0.8
192.05240	0.6
201.06415	1.7
202.07204	3.2
203.08054	3.0
204.08789	12.0
205.09082	0.7
214.07179	1.1
215.08101	1.9
216.08789	100.0
217.09435	6.7
218.10339	7.9
225.06422	5.6
226.07239	2.3
227.07986	1.3
228.08810	1.0
229.09598	0.8
230.06755	0.9
230.10352	11.0
240.08780	22.4
241.09274	1.4
242.10352	4.6
244.08327	2.6
245.06635	1.2
246.09854	13.7
247.10211	0.8
255.09830	0.8
257.11459	0.6
258.09839	6.7
268.08276	1.2
283.09451	2.0
285.10974	0.5
286.09320	32.5
287.09671	0.9
315.11899	2.7
317.13531	0.6
329.09979	1.2
333.13046	2.8
343.11472	1.2
347.11005	3.1
361.12610	3.7
379.13583	31.9
380.13907	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.0994
Annotation	Unknow
Peak:m/z	Relative Intensity
60.04509	1.0
63.43306	1.1
69.03402	1.0
70.06586	8.4
71.75528	1.2
72.08136	3.7
74.06087	1.1
81.03403	1.6
84.04477	2.1
84.08134	3.7
84.73303	0.9
85.02905	1.5
85.38685	1.0
86.09701	4.6
91.05455	10.7
103.05410	1.0
107.04929	1.1
119.04923	1.4
120.08080	4.3
121.02861	4.4
127.00014	2.3
129.10207	2.5
136.08365	1.2
137.05916	2.7
151.03888	1.8
152.05647	3.1
157.29874	1.1
158.07092	1.3
161.05949	2.1
167.03194	1.0
169.06425	1.5
187.07428	1.0
195.02850	2.2
197.05917	1.4
201.07643	2.4
203.06970	1.8
205.04927	1.1
205.08461	1.2
215.03258	1.3
217.04634	1.4
218.10306	13.0
218.38802	1.0
220.11877	1.0
227.05095	1.2
229.08566	1.8
231.06464	1.5
234.38696	0.9
234.99016	1.1
257.08020	1.3
261.03983	0.9
271.04196	1.6
275.08966	8.9
279.06589	1.3
293.10236	1.8
295.03033	1.0
295.06091	5.8
295.09052	1.4
307.05920	3.2
308.06744	5.4
321.07404	2.2
322.08328	3.8
323.08896	3.2
333.07571	2.7
335.11047	10.5
336.06027	1.7
351.08591	13.5
379.10129	100.0
380.09940	4.0
380.15598	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	378.2999
Annotation	Madangolide
Peak:m/z	Relative Intensity
52.01935	0.4
53.03946	0.9
55.05504	9.0
57.05796	1.1
57.07060	1.5
67.05499	6.3
69.07050	0.8
70.29415	1.8
71.08630	0.7
72.08145	100.0
73.08468	0.7
79.05487	5.5
81.07050	5.7
83.08604	0.7
89.06014	0.7
91.05468	2.0
93.07035	6.8
95.04926	0.5
95.08588	4.7
96.75825	0.4
105.07027	2.3
107.08588	4.4
109.10147	2.0
117.07003	0.9
118.08638	53.3
119.08585	1.4
121.10138	3.1
123.11665	0.8
128.26082	0.4
131.08531	1.9
133.10112	1.4
135.11626	2.2
137.13295	0.6
145.10110	1.0
147.11633	1.0
149.13237	1.2
159.11678	1.3
161.13193	1.0
163.14798	1.3
173.13245	1.1
174.90564	0.4
177.16376	1.3
187.14714	0.8
194.91180	0.4
198.87550	0.4
243.21194	2.3
243.23189	0.4
261.22116	4.9
315.26788	0.5
332.29434	5.3
378.29990	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	379.0995
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	0.8
55.05503	0.8
65.03943	1.8
67.05518	1.3
67.12784	0.8
69.47662	6.3
69.48083	3.0
69.72345	0.7
70.06589	3.3
72.08150	3.1
74.06071	1.2
79.05511	1.8
81.03426	2.0
81.07067	2.4
84.04506	2.0
84.08152	1.9
85.02954	1.0
85.42220	0.9
86.09713	2.6
91.04922	1.8
91.05479	23.5
95.04979	1.3
95.08631	1.2
98.20655	1.5
103.05472	2.0
105.03407	1.7
105.07008	1.2
107.04959	1.7
109.02869	1.8
111.04482	1.0
119.04930	6.0
120.08176	1.1
121.02859	11.1
130.05013	1.1
131.04912	1.1
135.08070	0.9
145.02881	1.0
147.04436	1.0
152.05701	1.7
159.04445	2.2
163.03960	1.3
168.08130	0.8
177.01839	2.3
177.05533	1.6
184.07318	1.3
187.03979	2.5
189.01918	2.5
190.02687	1.6
191.03368	1.3
195.02853	5.5
195.06589	1.0
203.03523	2.5
205.05017	2.7
207.02890	1.1
208.03787	1.2
215.03275	4.2
216.52599	1.0
217.04950	1.0
227.05321	2.3
229.27942	0.9
233.04497	5.6
243.11325	1.1
257.12921	1.2
258.13696	1.1
261.04102	1.0
268.07239	1.4
271.04449	2.6
279.06470	4.9
280.07507	1.5
293.07895	2.7
293.10263	3.0
294.08829	1.2
295.06018	16.0
295.09290	1.3
296.06622	2.1
305.08044	1.1
307.05960	12.0
307.08792	0.9
308.06769	13.0
309.07617	3.9
311.09641	1.5
314.67389	0.9
320.06763	1.5
321.07617	6.4
322.08279	7.6
323.09036	7.4
325.07025	2.2
333.07529	9.8
334.07977	1.6
335.10999	35.5
336.06369	2.8
337.06747	1.2
351.08618	29.2
352.08981	1.2
361.07095	4.9
379.09369	100.0
380.08966	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	378.24
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.6
55.05505	8.3
56.05014	1.3
57.07055	3.1
65.03929	1.7
67.05495	13.5
69.07057	5.4
70.06573	3.7
71.08614	1.9
71.35644	1.1
71.74809	1.7
71.75212	1.1
79.05485	9.2
80.05009	22.2
81.05802	3.8
81.07043	10.1
82.06567	10.6
82.77928	1.1
83.08602	3.5
85.10172	1.4
91.05472	17.8
93.05782	2.8
93.07037	10.0
94.06557	100.0
95.04954	1.7
95.07353	3.3
95.08590	7.2
96.08121	4.3
97.10125	1.5
105.07012	11.5
106.06554	1.2
107.07359	1.7
107.08588	2.4
108.08108	6.6
109.10120	1.5
119.08573	10.5
121.08892	1.6
121.10181	2.7
122.09689	3.1
123.11749	1.3
133.10114	5.3
134.09702	1.3
136.11189	1.3
147.11682	3.1
148.11237	1.7
149.02335	2.3
168.67648	1.3
245.22704	4.2
260.23767	4.7
262.25281	99.6
263.25610	5.9
311.02554	1.2
360.22552	1.8
378.26828	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.3048
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90799	0.9
55.05493	4.0
57.07063	6.2
67.05505	7.1
69.03435	1.1
69.07066	4.9
71.08627	5.0
71.73503	1.2
79.05510	5.2
81.07047	13.6
83.04937	1.3
83.08601	1.4
85.06541	2.5
89.06028	1.4
90.17941	1.1
91.05464	3.2
93.07043	5.3
94.81966	1.1
95.08598	11.5
97.06516	1.2
99.08063	2.3
99.36908	1.0
100.59515	1.1
105.07013	4.4
105.49837	1.0
107.08570	6.1
109.06513	26.4
109.10136	3.9
111.08078	1.9
119.08563	4.3
121.10118	3.3
121.43189	1.0
122.07281	3.3
123.08062	40.3
123.11678	2.5
133.08597	1.4
133.10109	2.7
135.08022	3.3
135.11743	1.1
137.09604	1.8
137.13214	1.2
145.10147	1.6
147.11655	2.2
149.09525	1.3
149.13261	1.3
161.13208	1.8
165.12744	1.4
167.14346	2.0
179.14294	100.0
180.14656	1.8
193.15915	2.6
212.69667	1.0
222.36923	1.0
294.10632	1.0
331.26276	8.1
377.30481	98.6
378.30798	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	377.2795
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01801	1.0
55.02018	0.9
55.05387	5.3
55.05698	2.6
60.16586	0.7
67.05359	3.4
67.05750	1.3
69.03338	0.8
69.06952	1.9
69.07269	0.7
69.55433	5.4
69.55871	1.1
70.06447	8.1
70.06865	1.9
72.08009	29.2
72.08459	7.2
79.05342	3.8
80.04911	1.3
81.03292	1.0
81.06905	4.0
82.06472	1.1
83.04881	1.2
83.08466	4.9
84.08020	0.9
91.05342	2.1
91.05822	0.7
93.06870	3.4
93.07496	1.2
94.06400	6.8
95.04842	1.1
95.08458	2.2
97.10001	7.8
105.06855	2.0
107.08416	2.8
108.07996	1.2
109.06374	0.7
109.10030	1.1
117.06885	1.5
118.06453	1.7
119.07163	0.9
119.08445	1.6
120.07899	2.3
121.06316	1.4
122.05840	0.7
124.11002	0.8
125.09435	5.7
129.06895	0.9
132.08060	7.3
133.08696	3.0
133.09914	1.4
134.09637	12.6
135.10312	1.0
136.07506	0.8
136.11195	11.8
138.12753	4.0
145.09894	1.6
146.09637	5.3
147.04231	1.0
147.10425	16.5
147.11508	1.5
148.11198	11.4
149.09486	0.9
150.08974	1.4
159.11488	1.0
160.11189	7.6
161.11873	1.0
162.09006	0.9
162.12598	2.6
164.10493	0.9
164.66423	0.7
172.11224	1.0
174.12799	7.8
175.13330	2.5
176.14224	1.1
186.12631	0.9
188.10570	1.0
188.14354	6.6
188.55826	0.7
189.11218	0.8
189.15150	6.5
190.12120	1.6
190.15889	43.4
191.15912	0.8
204.13724	1.4
216.13733	1.2
218.15279	1.0
242.19005	0.9
254.17159	0.9
260.19861	1.1
269.85281	0.8
270.18497	1.3
272.20126	0.8
286.21558	1.2
288.17233	0.6
288.19531	6.7
290.21069	2.1
304.19046	1.4
304.22678	2.2
306.20587	11.7
308.22061	1.7
314.24646	2.1
318.20529	2.7
324.23227	1.1
332.25626	1.0
342.20456	1.2
342.24240	12.8
359.22147	1.7
359.26566	1.2
360.25290	100.0
361.25687	3.8
377.27969	85.9
378.27917	2.7
378.32196	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.2319
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55973	1.3
57.07063	3.1
57.90549	1.6
59.52279	1.3
67.05473	1.9
69.07053	1.7
69.57491	6.8
69.57917	6.6
71.08607	3.1
79.05505	1.8
81.07040	3.3
83.01347	3.2
85.06531	1.5
88.11259	6.1
93.07031	3.0
95.08581	3.1
107.08589	3.0
109.06497	2.7
118.20952	1.5
123.08027	3.2
123.11675	7.4
135.08061	3.6
135.11670	5.5
145.10152	2.0
149.85243	1.4
153.05457	2.7
159.30876	1.9
173.09576	2.9
177.05417	10.5
177.09093	6.3
179.14278	3.6
180.09668	1.7
191.10577	1.9
201.09132	2.4
204.07829	3.5
219.10132	50.4
219.12151	3.0
220.10519	1.8
222.54517	1.5
237.11191	100.0
238.11623	3.0
359.22025	9.5
374.54263	1.6
377.23087	4.7
377.30527	10.3
378.33557	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.232
Annotation	Myricoidiol
Peak:m/z	Relative Intensity
55.05487	6.7
56.38888	2.0
57.07083	10.6
57.14654	2.5
64.92430	2.1
67.05492	7.3
68.38277	2.6
69.03399	3.0
69.07060	20.1
74.10492	2.2
74.92112	2.0
79.05486	5.6
81.07063	12.2
83.01335	7.9
83.04978	3.2
83.08584	2.1
85.06526	8.0
89.06068	2.2
91.05468	9.1
93.07027	11.1
95.04980	2.6
95.08602	5.3
105.07019	6.6
107.08601	10.4
109.06509	3.3
109.10132	7.1
111.04430	4.1
119.08588	4.2
121.06470	4.1
121.10072	3.1
123.11662	7.7
131.08542	2.8
133.10123	3.5
135.08028	9.5
135.11702	8.5
137.05901	2.8
139.03958	4.0
145.10109	5.0
149.05984	2.6
149.09648	3.4
150.22394	2.5
153.05469	6.5
158.63081	2.0
159.11642	2.1
161.05942	2.8
163.07558	5.2
163.11220	3.1
165.05492	2.8
168.69934	1.9
171.11754	2.4
173.09637	5.2
175.07567	3.8
177.05453	17.8
177.09114	14.2
178.80557	1.9
181.04930	9.4
181.08597	5.2
191.07002	4.9
191.10670	6.6
201.09128	5.1
204.07788	4.6
215.07091	2.9
219.10152	83.4
225.11110	2.2
231.10161	4.1
233.11681	2.5
237.11203	69.1
238.11615	2.4
243.10063	2.5
249.11160	9.6
257.11655	5.5
259.16528	2.2
261.11255	3.6
265.66736	2.2
275.12732	12.6
276.13037	2.1
277.14270	3.5
291.15854	6.7
303.15634	2.5
317.17133	2.6
341.21100	6.3
359.22150	30.8
377.23203	100.0
378.23492	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	377.232
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	2.3
67.05475	1.7
69.07062	1.6
70.91622	3.7
71.08614	2.6
79.05500	1.5
81.07067	3.7
83.01331	3.6
84.30178	1.6
88.11257	5.8
92.43462	1.2
93.07063	3.1
95.08590	4.1
100.80977	1.2
103.47923	1.3
105.07063	1.7
107.08582	3.5
109.06513	1.7
115.78866	1.4
119.08602	1.7
123.08061	3.9
123.11725	6.8
125.99637	1.5
127.04366	1.6
135.08034	2.8
135.11667	2.2
144.73372	1.2
145.10040	1.8
149.05917	1.7
153.05453	3.3
164.70560	1.4
173.09669	1.5
177.05421	8.8
177.09123	9.3
179.14326	3.7
191.10640	1.8
201.09138	2.2
204.07819	3.1
219.10147	36.7
219.12152	2.6
220.10538	1.4
220.21149	1.3
235.66521	1.4
237.11211	100.0
238.11554	4.4
351.78452	1.3
359.22153	11.9
360.22806	1.5
377.23331	7.4
377.30475	8.8
378.33893	2.6
378.64337	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95833	0.5
55.05502	1.7
56.05036	1.2
57.03430	1.7
66.36980	0.5
67.05497	2.5
69.03425	1.5
69.07056	2.5
70.06591	1.3
71.73324	0.7
72.08151	2.5
72.52006	0.5
79.05486	1.5
79.38506	0.5
81.07033	1.9
84.03993	1.2
84.04502	18.6
84.08170	0.9
85.02901	29.4
86.06094	2.8
86.09664	0.8
87.04456	1.6
88.03978	0.8
91.05498	3.2
92.05000	6.1
93.05798	1.2
93.07033	1.6
94.06573	1.5
95.01344	2.8
95.08629	0.8
97.06503	0.8
102.05537	13.7
105.07027	1.1
106.06556	1.5
107.08611	1.2
109.10155	1.0
112.03975	2.6
113.02379	1.6
117.05764	1.7
117.07022	0.9
118.06533	23.9
119.07352	1.3
119.08629	0.7
120.08074	2.0
124.11959	0.6
130.04997	100.0
131.05301	1.6
131.08533	0.6
132.08130	2.6
134.09682	0.9
135.11697	1.9
138.17152	0.5
144.08083	3.7
146.09666	0.9
147.04364	0.7
153.12711	1.3
198.96027	0.5
202.15898	7.2
230.15390	73.4
231.04768	0.6
231.15688	2.5
248.16451	84.4
249.16792	2.9
274.17963	1.1
289.05365	1.2
346.07532	0.7
349.06943	0.7
359.19592	1.5
360.17868	4.1
377.06793	1.0
377.20700	40.0
378.10123	2.4
378.21075	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.2107
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07146	1.0
59.92746	1.3
65.03919	1.6
69.07066	1.8
71.76232	1.5
83.01341	1.6
91.05471	92.5
92.05809	1.1
95.08619	1.3
129.07016	1.5
141.07010	2.3
163.03850	1.4
169.10178	1.3
175.03891	18.4
178.07730	2.1
179.08536	8.4
197.09508	2.1
198.36017	0.9
199.07510	2.5
207.08028	4.6
210.06834	1.6
211.07556	1.6
225.09079	8.4
235.07503	8.9
253.08585	100.0
254.08957	3.4
255.10231	2.2
267.10114	1.4
271.09668	4.4
313.14423	3.0
318.03900	1.2
321.15112	1.6
344.28870	1.4
377.21085	57.7
378.21567	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	377.2172
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48740	2.7
53.03923	4.3
55.01852	3.8
55.05499	20.0
57.03419	6.9
57.07049	4.7
59.04993	4.1
61.01151	6.9
61.98416	2.5
67.05498	36.0
69.03405	7.0
69.07052	22.0
70.06573	6.8
71.04980	15.8
72.08135	4.8
79.05473	18.3
81.03407	26.8
81.07044	95.3
83.04961	11.2
83.08623	13.2
84.08125	3.3
85.02866	5.3
85.06537	22.0
85.40144	3.1
86.06041	4.9
86.09695	3.2
87.02679	4.1
89.06017	6.2
91.05472	29.1
93.07042	30.6
95.04945	5.5
95.08592	100.0
96.21465	2.9
97.06528	21.6
97.10160	8.2
99.04431	9.0
99.08063	15.1
105.07014	36.2
107.08564	14.2
109.02873	16.3
109.06524	3.9
109.10133	12.2
111.08073	7.1
117.07040	4.9
119.08576	37.9
121.09392	2.7
121.10132	18.7
123.08016	14.4
123.11658	4.8
127.03882	5.3
127.11125	2.6
131.08557	5.7
133.10112	24.8
135.11685	13.0
137.09593	4.0
137.13240	17.3
139.03816	3.2
145.10051	3.4
146.05986	2.8
147.08011	2.7
147.11728	3.2
149.07365	6.0
155.14273	4.2
159.08307	6.1
159.11702	3.6
161.11885	5.3
161.13234	84.8
162.13620	5.2
169.06363	2.9
169.10037	2.7
169.15840	3.6
179.14275	62.4
180.14665	2.8
197.15359	28.7
229.13666	10.3
231.10152	3.2
245.09341	5.2
247.14720	16.8
299.23947	3.0
305.24924	3.6
325.45908	3.0
337.48050	2.8
341.19543	7.3
359.20322	20.7
360.21146	4.0
377.13632	8.3
384.11020	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	376.2479
Annotation	Spiramine P
Peak:m/z	Relative Intensity
67.05486	0.3
69.07027	0.3
71.19695	0.6
79.05462	0.4
81.07025	0.3
84.08124	0.3
85.88992	0.4
86.42503	0.3
87.04458	16.8
91.05452	0.5
95.08604	0.5
106.06533	2.8
117.05716	0.5
118.05758	0.4
118.06537	5.8
120.08117	0.4
125.74416	0.3
130.06505	0.8
131.07315	3.6
132.08084	2.8
133.08841	0.8
134.09644	1.3
140.55206	0.3
141.76379	0.3
144.08072	0.6
145.08789	0.6
146.09624	5.1
160.11192	4.9
161.11929	0.3
172.11177	1.0
174.12766	1.0
188.14240	0.4
204.10146	0.5
216.15895	0.4
218.11716	0.7
232.13274	1.2
244.20576	6.2
272.20062	45.7
273.20428	2.3
290.21097	12.5
291.21500	0.5
358.23654	0.4
375.47253	0.3
376.24780	100.0
377.25180	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	377.1453
Annotation	Tuliposide D
Peak:m/z	Relative Intensity
53.03925	1.3
53.15484	0.3
53.39538	0.4
55.01842	0.8
56.05013	0.4
57.03432	6.4
59.04973	0.7
61.02930	3.9
65.13455	0.3
69.03424	14.0
69.99660	1.8
70.06585	3.3
71.01349	1.8
71.04985	3.3
72.08127	0.6
73.02905	2.1
75.04467	2.2
81.03416	3.6
84.04499	0.4
84.08103	1.1
85.02868	0.4
86.09675	1.4
87.04421	0.4
91.05464	0.7
99.04439	4.6
103.05437	0.6
116.07042	0.5
117.05450	1.2
120.08057	1.5
127.08617	0.9
137.05937	0.9
145.07635	2.2
147.04344	0.6
151.03848	1.8
155.08049	0.4
157.06386	0.5
159.09108	0.6
170.07069	1.4
172.08685	27.6
173.09012	0.5
174.10251	0.9
175.08638	0.5
179.07024	0.7
190.09758	1.5
198.06615	5.8
198.10295	0.5
200.08171	4.8
214.09718	0.7
216.07668	15.3
218.09306	1.0
234.99153	0.4
243.08755	67.5
244.06975	0.7
244.09131	1.3
310.95340	0.3
314.30145	0.4
316.12930	0.4
359.13507	3.4
360.13672	0.4
377.14523	100.0
378.14926	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	376.1753
Annotation	Isolonganone
Peak:m/z	Relative Intensity
53.03933	3.2
55.01848	0.9
55.05490	1.7
56.05016	1.0
57.03437	0.9
60.04508	1.2
61.02921	1.7
62.36076	0.8
65.03936	1.1
66.79218	0.7
67.05488	2.6
68.99783	1.4
69.03422	9.0
69.07064	1.8
69.47907	5.5
69.48325	2.5
70.06587	5.2
72.08162	1.7
76.28355	0.8
79.05476	3.5
81.03413	1.9
81.07043	3.9
83.04969	2.6
84.04503	4.8
84.08131	2.5
85.02902	6.3
86.09708	3.9
91.05464	10.6
93.07040	6.5
95.04961	3.1
95.86563	0.8
96.04472	2.2
98.06024	1.9
99.73304	0.9
103.05463	1.4
105.07040	6.8
107.08591	3.7
108.04494	1.2
109.02875	9.9
109.06502	2.4
110.06016	1.2
110.07145	0.9
112.76827	0.8
115.05462	1.2
117.06985	2.3
118.06533	1.1
119.04931	1.3
119.08575	7.9
120.08079	2.9
121.06496	5.9
121.10123	1.0
124.03916	2.3
126.05495	16.3
127.03915	1.5
128.06219	2.1
129.01826	3.2
129.06982	3.1
130.05020	0.8
131.04893	0.8
131.08559	8.9
133.10109	3.3
135.08034	5.8
137.05927	2.7
141.07011	2.0
142.07797	1.2
143.08501	4.7
144.09373	4.9
145.06447	4.9
145.10136	5.1
147.08017	1.4
148.05942	0.9
148.07613	2.0
149.09619	4.1
150.05556	0.9
153.06970	2.3
155.08531	3.3
157.06534	1.9
157.10069	1.6
158.07205	1.7
158.10909	6.1
159.08040	6.5
159.11679	16.8
161.09624	3.0
163.07475	1.4
164.07248	1.4
168.02974	1.3
168.06531	1.5
168.09367	2.5
169.10014	1.3
169.30243	0.9
170.10847	1.3
171.08014	4.8
171.11815	1.0
172.08821	11.7
173.09621	8.6
173.13245	11.0
175.07533	1.9
178.07761	1.9
181.06467	2.3
183.11729	5.7
186.07610	2.7
186.10382	20.9
187.07535	2.8
187.11163	34.4
188.08345	1.0
188.11662	1.3
189.09093	1.9
193.10132	1.9
196.08820	6.2
199.07491	1.1
201.12724	29.0
202.12968	1.0
211.11182	6.2
214.03487	3.6
214.09853	2.7
228.08542	1.3
229.12219	49.9
229.15518	1.4
230.12515	2.3
247.13287	1.4
272.07639	3.6
277.08588	1.1
284.16370	3.4
290.08905	1.2
312.15903	1.4
330.16931	3.0
331.09088	4.5
353.07373	1.0
358.16623	1.8
376.17511	100.0
377.17725	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	375.2501
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	3.3
67.05487	1.8
69.07042	0.9
71.75441	0.9
79.05448	1.2
80.43903	0.7
81.07028	2.6
83.04971	0.8
83.08602	1.9
89.45665	0.7
91.05463	2.3
93.07030	2.5
95.04987	0.7
95.08586	1.4
95.58490	0.7
97.18185	0.7
97.62331	0.7
99.19321	0.7
104.96555	0.8
105.07006	2.0
107.04975	0.7
107.08609	1.6
109.10129	1.7
119.08571	1.9
121.10135	2.0
124.41026	0.7
131.08507	0.8
133.10117	1.5
139.96547	0.8
145.10066	1.5
165.09041	5.5
209.06972	0.7
239.40878	0.8
240.20511	0.9
242.16669	0.8
247.14725	0.8
251.22806	0.8
275.20096	2.0
375.25012	100.0
376.25412	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	375.2889
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	99.2
57.03400	9.0
57.07078	11.2
67.05487	21.3
69.07035	9.0
70.08081	47.3
74.15156	7.2
79.05475	32.3
81.07052	100.0
83.08604	58.2
91.05467	24.6
92.89324	8.1
93.07033	19.3
95.08580	29.8
97.06557	9.0
97.10191	8.5
97.21465	7.6
105.07044	17.5
107.08612	13.8
109.06528	42.4
109.10173	13.4
117.61793	9.2
119.08546	24.8
121.10135	13.6
131.08545	16.9
133.10114	21.1
145.10100	11.8
147.11676	10.9
149.09563	12.0
151.07512	25.3
159.11746	13.7
165.09103	9.7
247.09830	8.9
275.20007	74.5
357.28397	9.0
375.29050	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	375.2375
Annotation	Manglieside C
Peak:m/z	Relative Intensity
53.03936	5.1
55.01866	8.8
55.05506	23.3
57.03434	10.4
57.07072	4.3
59.04986	5.4
61.02909	10.2
67.05503	15.2
69.03428	38.2
69.06686	2.5
69.07062	50.4
70.06565	6.0
71.04977	11.5
71.08581	1.6
71.75102	2.9
72.08147	3.1
73.02903	6.0
79.05496	10.2
81.03413	16.9
81.06601	3.1
81.07051	39.7
81.90150	1.9
83.04971	10.6
83.08597	9.2
84.08138	3.7
85.02898	76.1
85.06528	24.5
85.50304	1.8
86.09698	3.5
87.04436	6.8
91.03933	3.8
91.05452	8.1
93.07040	23.2
95.04979	3.3
95.08600	46.7
97.02884	29.6
97.06521	8.4
97.10155	12.4
99.04441	7.4
99.08086	23.8
103.03929	2.7
103.05482	2.6
105.07040	10.0
107.04945	2.0
107.08582	33.5
109.02879	10.7
109.06486	5.0
109.10147	26.4
111.04490	2.0
111.08064	7.3
111.11717	3.8
113.09604	7.0
119.08576	8.1
120.08090	3.3
121.06483	4.7
121.10133	39.7
123.11710	14.9
125.09637	12.0
127.03905	24.4
127.11147	2.3
131.08463	2.0
133.06487	2.6
133.10107	7.2
135.08081	3.5
135.11674	22.2
137.05939	4.5
137.13239	19.5
139.11176	10.0
141.06903	2.5
145.04951	13.4
145.10089	3.6
147.11633	3.3
149.13257	5.2
151.03908	2.4
151.07486	3.1
151.14818	4.8
153.12732	16.0
159.11690	2.7
161.09540	1.8
161.13361	1.9
163.03865	5.0
165.09117	2.3
167.07001	6.1
171.13789	5.7
175.07486	3.2
175.14828	2.6
177.16373	100.0
178.16681	4.7
179.10675	2.8
189.05499	4.1
195.17438	45.8
199.03896	6.0
213.05396	4.0
213.18486	48.6
235.16934	2.2
269.09299	2.7
301.14401	2.7
315.09546	3.7
329.06561	3.1
339.25427	2.3
347.08673	2.1
375.08081	5.7
375.14496	2.3
375.18463	3.3
375.23807	4.5
397.89987	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1546
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	0.6
65.03937	7.7
67.05470	1.1
70.25800	2.3
70.26218	1.1
72.08135	1.0
79.05483	1.6
81.07064	0.8
82.06582	0.9
92.04993	3.5
93.07010	1.9
94.06550	2.3
95.04987	0.7
95.07349	2.3
95.08589	1.1
96.08125	4.3
103.05444	0.8
105.07015	1.1
108.08106	7.2
109.06491	0.8
109.10184	1.0
110.09665	5.5
112.26588	0.7
116.04984	2.4
120.04451	7.7
120.08075	4.3
122.06005	3.3
124.07563	1.4
127.28127	0.8
136.07552	2.8
138.05519	0.7
138.09135	6.3
144.04443	4.6
148.03917	100.0
149.04262	2.3
154.08621	1.8
155.71040	0.6
162.05481	5.1
163.03914	1.6
166.04988	29.5
166.06409	1.5
166.08618	17.7
169.06526	0.7
172.03932	17.5
174.05479	0.9
190.05003	7.7
199.03954	0.8
199.12242	0.7
204.06554	29.2
209.96040	0.7
214.35403	0.6
221.91402	0.7
227.11746	1.9
255.11281	17.3
273.12317	11.7
283.10748	14.1
284.11157	1.0
301.11804	87.5
302.12189	2.6
319.12909	5.4
325.11734	2.1
325.84549	1.0
343.08951	1.2
343.12872	15.7
357.14105	1.0
381.04440	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2162
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84907	0.6
67.05477	0.7
68.59139	0.6
69.07042	0.6
70.72768	2.4
71.04977	0.7
79.05494	0.9
81.03426	0.6
81.07056	3.9
91.05456	0.8
95.08596	1.2
105.07008	0.7
107.08576	1.5
109.02840	0.7
109.06511	2.8
109.10126	1.1
123.11696	15.9
127.03912	2.3
135.11694	1.5
137.05980	4.2
153.05498	2.8
165.05470	100.0
166.05788	2.1
167.07002	1.2
173.33664	0.5
179.07030	1.2
233.38123	0.6
239.24246	0.6
287.16406	31.4
288.16791	0.7
305.17435	43.6
306.17807	2.6
357.20740	1.0
375.22653	5.3
375.28168	0.8
396.56186	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.0919
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23445	0.4
53.03951	0.8
54.71535	0.4
55.01855	1.0
55.05480	0.6
56.05026	0.5
57.07047	0.7
60.04509	0.7
69.03411	2.7
69.07041	0.5
70.06586	3.7
71.73837	0.6
72.08147	7.7
73.02913	0.5
74.06069	0.5
75.05595	0.4
76.58327	0.4
81.03412	3.4
84.04494	1.1
84.08137	4.3
85.02898	4.3
86.09698	9.2
87.00828	2.1
87.05567	0.4
87.10038	0.9
91.05456	0.7
97.02866	1.3
99.04438	0.6
99.54594	0.4
102.05502	0.6
104.05806	0.6
105.01874	0.8
105.03416	0.5
109.02860	3.1
110.07143	1.4
112.08666	0.4
119.04906	0.6
120.05323	0.6
120.08051	0.9
127.03900	100.0
128.04185	0.5
129.10197	2.3
131.11772	0.4
135.84882	0.4
136.07549	0.9
137.05948	1.2
141.10139	0.4
143.11771	1.7
145.04922	0.5
147.04451	1.1
148.04787	0.7
148.05968	0.5
159.02873	1.5
171.11269	1.2
187.10791	0.4
199.18057	0.5
200.13890	0.6
200.18340	0.7
205.11855	0.9
226.92528	0.4
267.10379	0.5
298.13712	0.5
305.18033	0.4
375.12479	0.6
375.23083	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1434
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	1.1
51.73171	0.8
53.03927	1.3
54.40121	0.9
55.01862	6.0
56.30536	0.9
56.94253	1.0
62.41498	0.9
65.03930	5.0
67.05479	3.5
69.58883	2.1
69.59293	5.6
71.01357	6.7
79.05487	6.8
81.03400	2.1
81.07030	1.7
91.05473	66.0
94.04190	1.1
95.04955	8.1
98.57887	1.1
103.05457	7.6
105.02680	0.9
105.03374	18.0
105.06995	5.7
106.42132	1.0
107.04956	9.7
108.02061	1.4
108.05721	2.2
109.02874	2.1
109.06507	15.9
111.04412	3.4
115.05448	1.3
117.07014	1.2
118.04142	4.7
119.04933	100.0
121.06500	5.0
123.04409	3.8
123.08063	6.4
124.05202	7.4
125.05984	5.4
128.06203	1.1
129.07022	1.4
131.04906	5.7
131.05887	1.3
133.02847	1.7
133.06465	6.4
135.04387	6.4
135.08038	2.6
136.05176	2.1
137.05956	22.8
141.05487	2.3
146.03598	1.6
147.04395	24.1
147.05577	1.5
149.05959	4.5
150.06741	4.8
151.03897	88.6
151.04967	5.6
151.07527	56.7
152.04251	2.7
152.07944	2.0
153.05452	10.7
159.08058	2.3
161.05977	12.4
162.06645	1.3
163.03867	3.8
165.05515	6.0
167.06999	3.0
175.07495	5.3
177.05447	5.3
178.06242	27.2
179.07021	32.3
180.07840	6.5
187.07539	9.7
191.08598	1.1
193.08528	1.2
195.06494	7.3
196.07312	14.4
203.07025	2.5
205.08525	4.6
223.09564	1.5
251.10684	1.9
261.69379	1.2
279.10040	1.5
283.10004	1.3
311.12842	1.2
325.10242	1.1
327.12146	2.4
339.12241	1.4
357.13342	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1999
Annotation	Unknow
Peak:m/z	Relative Intensity
54.36668	2.2
55.05515	2.4
56.96559	27.4
62.65834	2.1
67.05494	5.2
70.76652	2.6
70.76989	4.9
71.95284	2.9
74.97635	3.7
79.05495	4.0
81.07047	4.1
84.96027	2.0
87.46593	1.9
88.49586	2.2
91.05487	4.8
93.07033	3.2
95.04966	4.5
95.08595	3.8
98.20821	2.6
105.06995	5.6
110.97543	3.6
115.97813	2.4
119.08545	4.7
120.08907	2.3
128.98587	13.7
129.09093	6.5
131.08600	2.4
146.99658	16.7
148.00180	2.3
157.10185	2.8
161.01234	3.2
165.00777	3.9
181.00189	2.4
210.13832	2.4
223.14722	2.6
252.10669	2.2
263.09607	5.9
315.16284	46.3
316.16669	2.6
331.15665	3.6
333.17331	100.0
334.17599	4.8
345.22412	2.6
351.18420	38.7
356.18942	24.7
374.20050	6.8
374.25537	7.9
374.36157	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	374.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04127	1.4
54.43986	1.7
55.01876	1.6
56.05020	2.0
60.04525	2.1
61.02916	2.9
68.09428	1.4
69.03428	3.7
69.07094	2.0
70.06587	8.6
70.62038	5.4
72.08159	8.0
74.06091	1.4
81.03413	4.1
83.06119	1.8
84.04508	10.3
84.08131	11.3
85.02905	12.9
86.09315	1.5
86.09711	14.6
87.04475	1.3
87.05590	4.2
88.03969	1.7
89.06025	62.5
90.21316	1.7
91.03954	1.8
91.05427	3.4
95.04960	2.9
97.02869	5.6
102.05569	1.7
105.03369	1.5
107.07082	5.0
109.02956	2.4
110.07145	1.7
116.07086	2.0
119.04956	7.1
127.03893	13.2
129.10262	4.4
130.06406	1.6
130.08691	2.2
133.08611	24.8
136.07639	2.0
141.10222	1.7
143.11734	2.0
144.06584	2.8
145.05014	1.6
147.04396	25.6
151.09633	4.0
152.06979	1.7
159.04399	1.8
161.09250	2.9
166.08618	1.6
177.05495	2.6
177.11232	4.7
186.08678	2.3
194.08113	3.4
195.12270	100.0
196.12602	3.3
212.09177	3.3
244.52228	1.7
285.08212	1.6
313.11682	1.7
340.08130	2.8
357.10776	2.4
358.06805	1.9
359.15817	1.7
374.02380	1.9
375.12189	2.4
375.16397	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1441
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01844	1.6
55.05475	1.8
56.04998	1.9
56.48408	0.7
57.03420	1.0
58.06572	2.1
60.04496	1.2
61.02899	0.8
63.74522	0.6
63.81571	0.6
65.03937	0.7
67.05464	3.0
69.03415	4.0
69.07019	1.0
70.06274	0.7
70.06585	8.0
71.74127	1.0
72.08146	33.7
73.02890	1.1
76.07591	1.0
79.05486	4.5
81.03395	2.1
81.07053	4.0
83.08614	1.0
84.04478	3.2
84.08136	11.6
85.02904	6.7
85.08437	1.2
86.09689	9.8
90.05531	0.7
91.05439	3.4
93.07025	4.8
94.06563	4.5
95.04904	1.4
95.08549	1.0
97.02858	3.2
97.06525	1.0
98.09695	1.3
99.04456	1.2
100.07546	0.7
102.05527	0.8
103.05436	1.6
105.06985	2.2
106.06548	6.2
107.04985	1.1
107.08548	1.9
108.08098	1.4
109.02849	1.4
109.06505	1.3
109.10140	0.8
110.07180	1.4
110.09666	0.7
112.11210	2.6
116.07058	2.3
117.07023	0.8
118.06533	0.8
119.07359	0.7
119.08527	2.5
120.08115	4.3
121.06509	0.9
121.10138	1.7
123.11665	1.4
124.07590	3.3
126.05468	2.7
127.03903	1.4
129.10255	5.2
129.13892	0.8
130.04965	0.8
130.06493	1.9
132.08086	4.0
132.96059	0.6
133.10088	1.9
134.05994	18.8
135.07979	0.9
135.11621	0.7
136.07529	2.6
137.05923	1.7
137.60800	0.7
144.06564	1.5
145.02762	1.6
145.04915	1.2
145.06065	0.7
147.04362	1.0
147.11649	3.5
148.07553	42.6
149.05896	1.0
149.07904	0.9
149.09590	1.1
149.13121	0.7
151.11168	0.9
152.07069	3.4
154.08609	2.2
157.10187	1.0
162.07605	1.3
163.07364	0.7
165.09090	1.1
165.12682	0.9
166.08575	15.7
175.11110	0.8
176.07068	6.4
177.05525	3.5
177.09094	2.7
178.08464	0.6
185.16472	1.3
185.31505	0.6
189.80728	0.7
193.08478	0.9
193.12141	1.2
194.08110	100.0
195.06578	1.2
195.08470	1.5
202.05713	1.2
212.09158	5.8
212.12839	2.1
213.11168	2.4
224.12357	0.7
224.20021	7.7
226.18001	5.6
227.08257	0.9
250.18040	1.4
268.19101	3.4
286.16895	1.4
286.20099	23.8
297.08685	1.5
303.22733	7.6
315.09961	1.3
326.07120	0.9
326.10828	1.0
356.20694	1.7
357.27414	14.2
357.31519	1.2
374.14008	1.5
374.18390	12.8
374.30106	28.4
375.12045	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.144
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	2.7
55.01855	2.2
57.03431	2.2
61.02927	2.0
62.45687	0.9
65.03931	1.6
68.99775	1.4
69.03424	12.1
71.05006	1.0
71.19202	1.0
71.19549	2.0
73.02892	3.0
81.03407	10.2
85.02894	42.9
87.00817	17.7
87.04406	1.1
91.05471	100.0
92.05809	1.6
97.02877	13.6
99.04460	6.6
105.01853	29.6
105.06948	1.1
108.04478	1.9
109.02866	13.6
112.82688	0.9
117.01804	1.7
120.69495	0.8
126.73071	1.0
127.03901	33.7
129.01830	1.5
129.06932	1.9
133.06477	2.3
143.03355	1.1
145.04947	20.0
145.06166	1.7
147.02863	2.3
157.06448	1.4
159.02863	7.7
171.08041	1.6
181.06587	1.3
189.03914	2.6
199.07515	2.1
213.03839	1.3
230.06526	0.9
231.04977	10.1
248.07687	1.6
249.06027	2.5
321.09470	1.5
375.08722	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1441
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01844	1.6
55.05475	1.8
56.04998	1.9
56.48408	0.7
57.03420	1.0
58.06572	2.1
60.04496	1.2
61.02899	0.8
63.74522	0.6
63.81571	0.6
65.03937	0.7
67.05464	3.0
69.03415	4.0
69.07019	1.0
70.06274	0.7
70.06585	8.0
71.74127	1.0
72.08146	33.7
73.02890	1.1
76.07591	1.0
79.05486	4.5
81.03395	2.1
81.07053	4.0
83.08614	1.0
84.04478	3.2
84.08136	11.6
85.02904	6.7
85.08437	1.2
86.09689	9.8
90.05531	0.7
91.05439	3.4
93.07025	4.8
94.06563	4.5
95.04904	1.4
95.08549	1.0
97.02858	3.2
97.06525	1.0
98.09695	1.3
99.04456	1.2
100.07546	0.7
102.05527	0.8
103.05436	1.6
105.06985	2.2
106.06548	6.2
107.04985	1.1
107.08548	1.9
108.08098	1.4
109.02849	1.4
109.06505	1.3
109.10140	0.8
110.07180	1.4
110.09666	0.7
112.11210	2.6
116.07058	2.3
117.07023	0.8
118.06533	0.8
119.07359	0.7
119.08527	2.5
120.08115	4.3
121.06509	0.9
121.10138	1.7
123.11665	1.4
124.07590	3.3
126.05468	2.7
127.03903	1.4
129.10255	5.2
129.13892	0.8
130.04965	0.8
130.06493	1.9
132.08086	4.0
132.96059	0.6
133.10088	1.9
134.05994	18.8
135.07979	0.9
135.11621	0.7
136.07529	2.6
137.05923	1.7
137.60800	0.7
144.06564	1.5
145.02762	1.6
145.04915	1.2
145.06065	0.7
147.04362	1.0
147.11649	3.5
148.07553	42.6
149.05896	1.0
149.07904	0.9
149.09590	1.1
149.13121	0.7
151.11168	0.9
152.07069	3.4
154.08609	2.2
157.10187	1.0
162.07605	1.3
163.07364	0.7
165.09090	1.1
165.12682	0.9
166.08575	15.7
175.11110	0.8
176.07068	6.4
177.05525	3.5
177.09094	2.7
178.08464	0.6
185.16472	1.3
185.31505	0.6
189.80728	0.7
193.08478	0.9
193.12141	1.2
194.08110	100.0
195.06578	1.2
195.08470	1.5
202.05713	1.2
212.09158	5.8
212.12839	2.1
213.11168	2.4
224.12357	0.7
224.20021	7.7
226.18001	5.6
227.08257	0.9
250.18040	1.4
268.19101	3.4
286.16895	1.4
286.20099	23.8
297.08685	1.5
303.22733	7.6
315.09961	1.3
326.07120	0.9
326.10828	1.0
356.20694	1.7
357.27414	14.2
357.31519	1.2
374.14008	1.5
374.18390	12.8
374.30106	28.4
375.12045	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2732
Annotation	Nabilone
Peak:m/z	Relative Intensity
53.03955	4.4
55.05502	16.6
57.07054	4.3
65.03948	3.3
67.05495	28.8
69.03423	7.3
69.07048	17.0
71.76443	3.6
72.04514	21.1
79.05492	26.7
81.03412	9.3
81.07046	100.0
83.04966	8.6
83.08620	6.0
85.06528	3.6
87.75742	3.1
88.02196	29.5
89.02557	6.2
90.01779	3.8
91.05458	18.9
93.07050	16.4
95.04955	6.1
95.08621	19.4
96.21269	2.9
97.10145	4.4
99.54699	3.0
105.07024	28.6
105.86718	3.0
106.57215	3.0
107.08577	16.1
109.06504	44.9
109.10152	12.4
117.07011	14.6
119.08566	19.6
121.06479	7.3
121.10145	7.8
124.81529	2.8
129.07004	13.5
131.08569	8.5
133.06477	9.3
133.10098	12.8
135.08015	5.0
142.07765	3.9
143.08554	11.2
145.06451	8.9
145.10118	10.6
147.07971	5.5
147.11642	5.6
149.09550	7.7
157.10117	12.8
159.11682	9.2
159.77699	3.2
161.09666	4.6
166.09682	3.1
169.10068	6.6
171.11661	7.1
173.09628	5.3
175.11206	7.5
183.11708	4.5
185.13245	5.9
187.11200	9.2
187.14923	3.5
199.14787	11.3
211.14883	3.4
213.16373	4.7
215.14281	3.6
217.15858	4.0
225.16261	3.2
243.17435	5.7
313.21500	3.7
317.13956	5.2
327.26926	6.6
337.24976	6.0
355.26279	42.5
373.18686	6.2
373.27448	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	374.144
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63250	0.9
53.03945	1.5
57.03414	2.8
59.69456	1.0
61.02896	1.3
65.03925	1.5
69.03419	18.0
69.75536	1.2
69.75948	6.4
71.04982	2.9
81.03423	9.7
83.01339	1.4
85.02896	19.1
86.09715	1.9
87.00815	10.5
91.05467	100.0
97.02877	31.0
99.04443	8.6
105.01855	9.7
107.56686	0.9
109.02866	4.1
127.03897	34.8
131.83197	1.0
136.38229	0.9
145.04947	21.8
157.23453	1.1
205.77225	1.1
213.03790	1.2
231.04977	20.5
249.06018	5.6
289.02930	1.0
292.16257	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2734
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	33.3
55.01862	19.7
55.05501	54.1
57.07061	17.2
62.67208	6.6
67.05502	100.0
69.03413	12.4
69.07046	33.6
71.04974	9.8
71.18120	12.9
79.05485	66.3
81.03410	55.7
81.06687	8.0
81.07054	93.4
83.04972	28.2
83.08582	18.6
85.06529	11.2
91.05465	55.9
93.07043	58.7
95.01270	10.0
95.04954	31.5
95.08607	66.1
97.06538	8.2
97.15739	7.1
103.51974	7.4
105.07024	60.9
107.04975	37.9
107.08576	43.4
108.07989	7.0
109.02816	9.5
109.06533	11.3
109.10148	29.9
115.05422	10.6
117.06991	29.2
119.08563	48.4
121.06490	25.0
121.10120	19.2
123.08045	22.0
125.69546	8.0
129.06992	29.6
131.08542	34.7
133.06456	21.6
133.10126	29.3
135.08046	12.3
135.11682	21.1
141.06975	14.8
143.08559	37.5
145.06432	18.1
145.10049	38.4
146.86378	8.9
147.08023	15.5
147.11620	9.8
149.09584	17.0
149.13220	10.0
155.08540	13.5
157.10161	43.4
159.08029	10.4
159.11655	34.1
161.09602	12.9
161.13283	9.5
169.10126	23.2
171.11684	18.2
173.09598	11.8
175.11139	18.0
177.12750	35.7
185.13292	15.4
187.11182	15.6
187.14833	10.3
197.13342	8.7
199.14777	40.8
211.14807	10.9
213.16330	11.3
215.14233	9.7
241.14299	11.9
267.88718	7.5
310.12234	8.6
327.26520	14.9
355.26208	60.9
373.18655	18.9
373.27295	43.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2733
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	36.4
55.95960	6.1
57.56170	6.9
57.78056	7.0
62.53397	7.2
67.05508	54.2
67.76801	7.1
69.07047	18.9
69.25475	6.9
69.41304	43.2
69.41735	33.9
79.05499	39.3
81.07055	64.1
83.08610	9.5
91.05470	45.6
93.07044	37.3
95.04949	10.6
95.08617	39.8
97.06490	6.8
97.10182	8.9
105.07018	40.2
107.04945	7.1
107.08557	28.1
109.06491	18.6
109.10114	16.8
117.07011	14.5
119.04881	8.4
119.08549	37.3
121.10179	11.5
129.07004	17.4
131.08545	29.8
133.06438	17.9
133.10136	28.6
135.08040	8.3
135.11707	8.8
143.08508	22.6
145.06427	10.9
145.10110	26.6
147.07996	12.1
147.11653	14.0
149.09601	23.6
155.08571	8.8
157.10085	23.2
159.07980	10.6
159.11670	17.1
161.09581	10.1
169.10161	10.9
171.11649	14.4
173.09634	10.5
173.11856	7.4
175.11162	17.5
175.14809	8.2
183.11668	13.9
185.13214	11.2
187.11121	16.0
189.12675	12.3
197.13237	9.8
199.11148	8.7
199.14781	13.4
201.12733	11.8
215.14406	8.9
275.86316	7.8
285.18414	8.0
324.53656	7.9
327.26901	9.0
337.25320	18.7
355.26349	100.0
373.18350	8.2
373.27097	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	373.2369
Annotation	[1R-(1alpha,4alpha,4aalpha,5alpha,6alpha,8abeta)]-Decahydro-4,8a-dimethyl-6-(1-methylethyl)-1,4-epoxynaphthalen-5-yl ester  4-methoxybenzoic acid
Peak:m/z	Relative Intensity
53.03939	0.8
55.01855	1.7
55.05514	2.6
57.03413	1.4
62.06079	1.8
65.03925	2.0
67.05496	11.4
69.03404	2.1
69.07069	2.6
69.53115	5.3
70.06565	2.1
71.04987	0.7
72.08143	1.9
79.05486	10.3
81.03419	1.6
81.07044	9.5
83.04971	3.9
83.08620	1.6
84.04482	0.7
84.08142	1.1
85.02892	8.2
85.06528	0.7
86.09708	2.5
91.05451	8.7
93.03387	0.9
93.07035	9.7
95.04947	3.1
95.08606	6.3
97.06497	1.7
97.10136	0.6
97.46966	0.5
100.20499	0.5
103.05472	0.6
105.07012	10.6
107.04946	2.1
107.08585	9.7
109.06505	2.2
109.10149	3.4
111.04433	23.7
111.08031	0.6
115.05411	0.7
117.07001	3.3
119.08570	7.2
120.08064	1.8
121.06516	1.2
121.10114	5.3
123.08044	1.2
123.11681	0.7
125.05977	3.0
128.06207	0.9
129.06990	2.2
130.07837	0.6
131.04900	0.7
131.08563	5.9
133.10126	5.6
135.04349	0.9
135.07974	1.1
135.11703	2.5
137.06024	2.4
137.09602	1.9
141.07001	0.9
142.07680	0.6
143.08528	3.6
145.10110	7.1
147.04324	0.7
147.08029	1.1
147.11652	4.4
149.01216	0.7
149.09634	1.7
149.13202	1.3
151.03902	1.1
151.07516	0.6
153.05424	1.5
155.08595	1.4
157.10112	3.9
159.08055	1.3
159.11661	5.1
161.09584	1.2
161.13229	1.7
163.07443	0.6
163.11171	1.4
165.09090	1.2
165.12621	0.8
167.07019	1.1
169.10106	1.8
171.08026	0.6
171.11679	2.8
173.09547	2.7
173.13216	2.6
175.11179	1.1
175.14763	1.8
175.38722	0.5
177.09093	1.0
177.12764	0.8
183.11661	1.7
185.13268	1.7
187.11082	0.6
187.14806	1.6
189.09167	0.7
190.07690	0.6
191.10666	1.1
197.13313	0.8
199.14818	1.1
201.05464	0.7
201.12814	0.7
201.16335	1.4
203.18089	0.7
209.13257	1.0
211.14890	0.7
213.16368	0.8
214.14420	0.9
225.10150	0.7
225.16399	0.6
239.11809	0.7
246.17026	0.8
253.19516	1.0
293.13016	0.9
295.10852	0.6
313.11627	1.8
337.21622	1.4
337.25549	0.9
355.22690	1.5
373.14014	4.7
373.23682	100.0
374.16165	1.0
374.23993	4.6
379.80548	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.237
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.5
55.01864	5.3
55.05510	15.3
56.05030	9.9
56.96558	3.7
57.03429	3.0
57.07065	1.6
58.99573	5.6
59.89935	1.4
61.01136	3.3
61.02916	1.4
65.03928	6.0
67.05503	34.5
68.05004	3.4
69.03410	5.1
69.07054	11.1
70.02955	2.2
70.06586	6.5
71.04985	4.2
71.32203	3.0
71.32552	2.5
72.08150	4.3
73.01137	4.5
73.02899	2.8
74.00647	4.1
76.02227	4.6
76.03979	2.3
79.05486	33.9
80.05010	8.0
81.03429	5.5
81.07050	51.7
82.06570	14.5
83.04978	5.1
83.08607	8.6
84.04488	4.2
85.01131	4.3
85.02893	4.5
85.04028	3.9
85.06557	4.2
86.00642	19.9
86.99009	3.6
88.02197	6.4
91.05473	39.5
93.07039	45.2
93.07651	1.5
94.06579	8.1
95.04964	10.1
95.08595	24.5
96.08117	3.4
97.01117	28.4
97.02865	4.5
97.06517	5.5
97.10168	4.4
98.06059	1.5
98.97560	2.8
99.02680	7.9
100.02172	1.7
103.05463	2.5
105.07018	41.6
106.06531	2.4
107.04955	5.3
107.08587	33.2
108.08105	4.0
109.02901	2.0
109.06530	10.3
109.10156	13.6
111.02661	6.8
111.04442	4.5
111.08082	3.1
112.03930	3.5
113.04210	2.2
113.06078	1.7
115.05469	3.2
116.01673	10.4
116.98547	1.6
117.07022	11.6
119.08580	27.5
120.08139	2.0
121.06509	3.4
121.10136	20.8
123.02641	5.9
123.08081	3.3
123.11703	2.9
125.04209	3.1
125.05981	28.2
125.09587	3.0
128.06201	3.7
129.07007	9.7
130.04997	10.4
131.08560	22.1
132.05666	1.4
133.06526	3.7
133.10120	25.8
135.08078	5.3
135.11690	12.2
137.04201	3.6
137.05986	2.9
137.09570	2.7
139.03880	3.7
141.07001	3.0
142.07770	3.8
143.02719	3.1
143.08531	12.0
144.01135	2.8
145.06291	2.6
145.10114	21.7
147.08051	5.4
147.11671	24.8
149.01263	4.6
149.04245	2.9
149.09622	3.9
149.13260	6.1
151.05721	1.9
153.05458	28.1
155.07024	13.5
155.08531	6.6
156.03606	2.9
157.10101	14.7
159.08038	1.8
159.11710	22.1
161.09608	3.5
161.13237	10.7
162.02229	2.4
163.07417	1.6
165.07037	1.9
165.09120	2.1
165.12750	2.4
167.02223	2.4
167.06995	4.3
167.08565	2.8
168.09387	2.1
169.10144	6.8
171.04448	1.8
171.11668	8.4
173.09619	4.3
173.13258	7.7
175.07518	1.8
175.11208	5.5
175.14803	10.2
177.00778	2.1
177.03288	4.0
177.09096	2.9
177.12746	11.6
179.06985	2.7
179.08524	2.0
181.08604	3.0
181.10229	7.4
182.10893	1.5
183.11696	7.8
185.09637	3.0
185.13220	8.4
187.07509	2.1
187.14851	4.7
189.03282	10.6
189.09073	2.9
189.16356	5.6
191.08900	5.4
191.10587	2.5
192.13902	2.1
193.10213	2.4
193.12238	4.8
194.15442	5.7
195.11740	4.6
195.13785	3.4
197.09601	2.0
197.13297	4.9
199.14812	6.6
201.16405	16.3
203.10675	2.6
203.18001	1.6
206.15480	6.1
207.11789	1.6
209.09914	8.3
209.13263	5.0
211.14874	4.6
212.10692	5.2
212.16475	11.0
213.16389	3.7
215.10689	1.9
215.17987	5.5
216.85403	2.1
217.10451	4.5
217.12177	3.1
218.15427	3.7
219.11797	2.0
221.13310	2.6
223.14828	2.5
224.16447	9.9
225.12708	1.5
225.16280	1.6
227.10973	8.5
228.22969	1.6
229.12154	3.0
231.13771	1.7
235.11478	6.8
235.14911	3.9
236.16298	2.6
239.14285	2.0
241.12230	2.1
243.13809	3.7
244.09567	8.9
249.16412	3.4
252.14059	24.9
253.19630	2.5
255.13922	3.7
257.15466	2.1
270.14703	24.1
270.17371	8.5
273.14603	1.9
275.20081	1.6
277.19595	6.4
280.13678	16.0
285.63797	2.7
291.21002	8.4
293.13205	11.1
301.19373	1.9
309.18719	1.5
309.22202	4.7
313.12140	1.9
319.20554	7.4
325.12198	2.3
327.22998	2.3
337.17688	3.3
337.21579	39.3
338.22153	1.8
349.16837	2.1
355.12640	3.0
355.16925	6.1
355.22656	52.6
356.14816	1.8
356.23160	2.5
372.64713	1.8
373.13843	5.7
373.17917	100.0
373.23550	24.1
374.18027	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	373.2217
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	4.1
57.03422	1.8
60.20008	1.4
61.02920	1.5
61.15828	1.3
67.05489	6.5
69.03428	3.9
69.07056	5.1
70.06588	5.1
71.04974	2.9
71.10021	2.6
71.10339	1.6
72.08143	3.2
79.05466	4.1
81.03435	3.1
81.07052	13.8
83.04946	1.6
83.08622	2.2
84.08125	3.2
85.02907	14.9
86.09699	4.4
91.05456	8.8
93.07035	9.7
95.08601	18.8
97.02905	4.3
97.06534	3.5
99.08078	4.8
103.05435	1.9
105.07017	14.9
107.08579	15.3
109.02804	1.6
109.06529	2.7
109.10123	6.7
113.09636	3.7
119.08570	56.6
121.10122	5.8
123.04399	1.4
123.11686	3.1
125.09580	1.8
127.03896	3.3
131.04898	2.8
133.10115	70.7
135.11682	14.3
137.05959	5.1
137.09605	4.4
145.04909	2.9
145.10117	1.8
147.11693	5.9
163.07539	2.0
163.11198	1.7
165.09068	2.1
167.07028	2.9
172.40343	1.4
175.14812	100.0
176.15198	2.9
193.15862	10.0
211.16893	2.3
239.11745	2.2
253.09235	1.5
267.11221	2.4
313.11798	5.6
373.13934	12.8
373.18408	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	373.2372
Annotation	Asperugin C
Peak:m/z	Relative Intensity
53.03952	4.5
53.44439	3.0
55.01857	5.6
55.05506	22.8
57.07069	5.7
65.03938	6.4
67.05499	66.1
69.03439	3.4
69.07052	17.6
70.06583	8.1
71.04991	4.4
71.75212	4.5
77.03959	4.0
79.05492	47.3
79.72346	3.0
81.06593	7.3
81.07050	100.0
83.04984	7.6
83.08616	12.8
84.08138	5.4
85.06539	3.8
86.09705	7.5
87.00820	19.1
91.05457	31.0
91.71577	3.0
93.06487	6.6
93.07036	67.0
95.04961	10.6
95.08596	67.9
96.08949	3.5
97.06525	5.5
97.10144	10.9
100.11236	6.1
102.05590	3.6
103.05496	3.4
105.07025	42.1
107.04921	5.9
107.08585	47.3
109.06541	9.6
109.10151	61.6
111.04432	8.8
111.08082	4.6
111.11741	3.4
115.17587	3.2
117.07039	10.1
118.30292	3.6
119.08579	33.2
121.06530	5.1
121.10135	53.9
123.08105	4.0
123.11691	33.3
125.05994	36.8
125.09607	4.2
128.06213	4.1
129.06990	10.8
130.63054	3.2
131.04895	4.7
131.08560	18.6
133.10132	27.1
135.08037	4.0
135.11673	33.0
137.05968	18.3
137.09612	6.5
137.13226	4.5
139.07463	4.7
143.08568	15.3
143.75909	3.4
145.10100	25.1
147.04382	5.1
147.11646	20.4
149.13210	24.9
151.03905	5.7
153.05453	40.2
155.07014	15.9
155.08502	9.5
157.10136	9.9
159.11707	29.5
161.06010	8.2
161.13234	14.6
163.14786	6.1
167.07076	9.7
167.08493	6.0
169.10124	6.3
171.11664	7.6
173.13286	5.5
175.07558	5.0
175.14853	14.3
179.17854	4.5
181.10126	4.9
183.11703	11.0
185.13254	8.5
187.14862	3.8
189.00066	3.2
189.16411	5.0
195.11658	6.3
197.13339	7.9
199.14841	9.9
201.16382	17.7
205.19519	35.8
207.10091	4.5
209.13329	3.4
213.16190	4.8
215.17889	22.4
223.20564	7.7
227.14325	4.5
233.18942	26.3
235.14977	5.1
241.21562	6.8
243.13678	4.0
249.18513	4.2
253.19365	4.6
255.13779	3.9
265.08426	4.1
277.19513	8.1
281.15411	5.9
291.19473	4.8
291.21014	4.9
309.21600	5.8
313.10709	4.5
319.20566	7.4
325.10791	4.3
337.21652	47.9
343.11752	19.6
352.41028	3.8
355.22629	62.4
373.12985	9.7
373.23734	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	373.2218
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	3.6
53.27136	2.1
55.01859	3.6
55.05509	18.6
55.62654	2.1
57.03420	3.2
59.04981	8.1
61.02912	2.0
64.61060	1.8
67.05502	24.8
69.03420	16.7
69.07063	10.1
69.37263	1.8
70.06588	2.6
70.09264	11.4
71.04983	4.4
72.08134	2.9
75.74709	1.8
79.05478	6.6
81.03396	5.7
81.07056	23.1
83.04974	67.6
83.06092	2.5
83.08593	3.7
84.08125	2.5
85.02900	36.2
86.09689	8.7
91.05446	5.7
93.07032	9.0
95.04967	15.9
95.08611	14.3
97.02868	8.0
97.06506	3.5
98.19085	1.8
99.04433	7.4
105.07018	2.6
107.08547	10.0
109.02876	3.5
109.06509	10.3
109.10153	41.9
111.08050	5.7
111.21714	2.0
119.08608	9.8
121.10174	4.6
123.08085	3.2
123.11674	3.6
125.09618	3.5
127.03883	8.6
130.33794	1.9
133.10089	4.1
135.07999	4.8
135.11707	9.9
137.05981	2.2
137.09599	100.0
145.04918	5.6
155.10635	13.6
175.14853	6.8
193.15865	56.9
235.16846	2.8
373.13885	4.6
373.18219	33.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1853
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	13.6
55.01865	5.2
55.05511	13.1
57.03439	8.9
57.07065	2.7
60.25100	1.5
67.05503	35.3
69.03422	11.8
69.07069	17.7
70.06592	9.4
70.88168	1.5
71.03323	2.4
71.03658	3.3
71.04987	18.8
72.08148	7.3
79.05484	27.2
81.03411	94.0
81.07050	90.3
82.07387	2.3
83.04959	8.2
83.08618	8.9
84.08130	3.4
85.02908	12.2
85.06535	6.8
86.09693	5.6
87.00823	2.2
91.05469	33.3
93.07045	20.0
95.04964	8.4
95.08588	19.0
97.02892	3.2
97.06519	6.6
97.10154	2.6
99.04450	59.9
99.08086	6.8
101.06039	2.3
105.01860	2.3
105.07024	50.5
107.04960	3.3
107.08582	19.7
109.02870	78.4
109.05823	1.9
109.06494	10.0
109.10153	7.6
111.04427	1.9
111.08094	3.9
113.06007	2.9
117.06963	2.9
119.08566	41.1
120.41515	1.5
121.06487	2.4
121.10133	28.0
123.04347	1.7
123.08067	7.4
123.11699	32.4
125.09609	3.3
127.03905	23.3
127.07510	3.6
129.06987	2.6
129.10149	2.2
131.04941	3.4
131.08539	4.2
133.06464	2.2
133.10115	11.8
135.11702	5.3
137.05977	5.4
137.09592	2.0
137.13278	1.7
139.11189	2.1
145.04956	11.5
145.06485	1.6
145.10124	2.6
147.08002	2.4
147.11670	100.0
148.07564	1.9
148.12012	3.9
149.09618	4.1
151.03996	1.9
153.05444	1.7
157.10107	9.1
161.05963	2.5
163.11195	2.3
165.12741	55.6
167.07072	3.6
167.10657	3.2
168.06482	1.7
173.11760	1.8
175.11145	12.2
175.14804	10.5
183.13762	7.7
188.03474	4.2
193.12230	19.4
201.05405	2.1
211.08521	2.1
211.13293	7.1
225.10278	4.9
227.12263	2.3
229.14311	33.0
239.11760	4.3
242.94661	2.1
253.09853	3.0
267.11243	6.8
271.11127	3.5
295.10571	2.7
299.10623	1.9
313.11768	17.0
319.22900	2.4
323.10037	2.1
337.16513	2.2
341.11105	4.4
345.07370	1.9
355.06516	1.9
355.13113	2.5
355.17554	23.4
373.06909	2.9
373.08810	2.5
373.13812	37.2
373.18494	33.1
373.28525	1.8
374.14130	6.3
387.91403	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1785
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	4.3
55.05486	3.3
56.05027	16.7
58.99567	4.0
61.01141	1.5
67.05490	8.2
68.05000	2.7
69.07067	2.1
70.02935	3.4
70.06572	3.8
71.74876	2.1
74.00645	2.4
76.04003	1.5
79.05476	7.0
80.04995	3.7
81.07053	11.5
82.06541	3.7
83.04959	1.3
83.08598	2.0
84.04480	4.5
84.08127	2.1
85.01110	3.1
86.00634	9.3
86.09676	1.1
86.99037	2.3
87.02670	3.5
88.02187	3.3
91.05455	9.2
93.07044	7.8
94.06540	2.2
95.08598	3.7
96.08088	2.2
97.01105	12.1
97.06526	1.3
98.09700	1.2
99.02656	2.1
99.05582	1.4
102.03732	1.7
102.05523	13.6
103.05440	1.1
105.07003	4.3
107.08586	7.1
108.08055	1.7
109.10156	2.3
111.02666	1.5
111.08062	1.2
112.03961	2.0
113.04250	1.3
114.03716	3.0
114.05523	1.7
116.01662	11.8
116.05312	1.2
117.06940	1.2
119.08586	2.3
120.08072	2.0
121.10105	2.4
123.02600	2.4
123.04499	1.0
130.04988	2.5
131.08536	3.3
133.10095	6.6
137.05927	1.3
143.02707	4.0
144.22105	1.2
149.13312	1.2
151.11176	5.6
162.02206	1.6
188.03812	1.5
189.03304	2.5
191.08885	2.0
194.15349	3.8
198.14886	1.3
206.15434	2.8
212.16399	9.8
224.16451	5.4
226.12634	4.7
244.13570	4.1
244.15697	2.1
252.13998	7.9
270.14825	3.8
270.17435	12.8
280.13580	3.0
312.12527	8.1
327.17297	4.5
355.16864	4.5
373.17874	100.0
374.18198	5.8
389.55670	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1788
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51059	2.3
55.01858	3.3
55.05503	3.3
56.05029	11.7
58.99580	4.7
60.90099	2.3
67.05502	9.6
68.05026	5.1
69.07068	3.1
70.02961	3.2
70.06575	4.8
71.75352	3.1
72.08155	3.2
79.05473	6.6
80.05012	3.7
81.03394	2.4
81.07043	11.8
82.06570	6.5
83.08602	4.0
84.04510	3.5
84.08154	3.2
86.00653	9.3
86.09726	4.1
88.02209	2.6
91.05477	8.8
93.07030	6.9
94.06583	3.2
95.08617	6.7
97.01112	8.1
97.06591	3.0
99.02710	3.4
102.05550	4.1
105.07024	5.9
107.08601	4.2
108.78494	2.8
109.06503	3.5
116.01688	10.3
118.98613	2.5
119.08576	4.0
133.10135	4.9
137.05971	8.6
143.02763	2.9
145.06129	3.4
149.13246	3.4
151.03871	3.5
153.05495	2.9
177.12749	4.7
189.03282	5.7
191.09004	2.6
194.15405	6.2
212.16449	9.3
224.16447	8.5
235.11375	2.5
252.14143	14.5
270.14954	7.4
270.17200	8.9
280.13681	4.3
355.16928	3.2
373.13110	5.0
373.17899	100.0
373.21854	5.7
373.30640	4.2
374.18127	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	373.1493
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	8.7
55.05510	6.2
56.05021	1.1
57.03425	1.3
67.05506	4.1
69.03417	1.8
69.07066	2.0
69.89150	5.3
70.06582	5.9
72.08135	3.1
72.60502	0.7
78.32329	0.8
79.05134	0.8
79.05496	7.7
81.03408	2.0
81.04504	2.3
81.07053	2.8
83.04966	2.3
83.08603	5.1
84.04482	3.3
84.08136	3.2
85.02887	2.0
85.06548	1.9
86.09698	19.7
89.06032	1.3
91.05434	6.3
93.07034	14.9
94.06577	1.1
95.04942	2.9
95.06076	1.1
95.08588	1.6
97.02879	1.3
98.20770	1.3
100.07599	3.8
100.11245	11.0
103.05455	1.4
105.07022	4.8
107.08586	8.2
108.04465	3.7
109.02837	1.4
109.06476	1.4
109.10170	0.9
111.04423	5.1
112.07603	1.3
116.31435	0.8
117.07042	1.1
119.08558	2.2
120.04435	1.0
121.06517	1.1
121.10140	6.3
122.05994	1.8
126.09135	1.3
127.03931	1.0
128.07091	2.7
130.05013	1.6
131.08572	1.8
132.10190	1.7
133.08597	1.9
137.05968	3.2
137.09601	1.0
138.05505	1.3
140.07072	3.3
143.11787	2.5
144.02489	0.9
146.05963	1.3
147.08014	2.4
147.11662	1.5
149.09605	52.2
150.09988	1.2
151.03935	1.3
157.07524	1.1
157.13339	6.8
160.01408	1.0
165.09093	3.4
167.07086	1.8
167.10631	1.0
168.06606	3.2
171.27779	0.9
173.05978	1.0
174.05554	1.9
181.08849	1.5
182.13797	1.0
182.15407	18.7
185.12872	3.6
185.45390	0.9
189.12387	2.7
196.09860	0.9
201.05469	1.7
210.14865	18.9
211.08629	10.4
211.12245	2.3
212.09413	3.0
213.10194	2.1
221.10721	2.1
222.09151	3.5
223.08521	1.3
224.10759	3.5
225.10229	12.4
226.08507	1.0
226.10793	1.7
227.17537	1.7
228.15944	6.7
239.08221	2.1
239.11775	16.0
239.14066	1.4
240.12469	1.7
240.14969	0.9
241.09656	2.9
242.14951	1.1
249.10112	1.4
250.08640	1.7
251.08121	1.1
252.09062	3.3
253.09726	8.4
254.10374	1.2
256.12057	1.3
267.11304	19.7
268.11911	1.0
269.12830	2.9
284.11575	1.5
285.12277	2.1
295.10760	9.5
313.11801	51.3
314.12051	2.3
323.10117	0.9
337.21173	8.8
341.11273	8.5
355.12869	1.3
355.22324	8.1
356.23029	1.0
359.12381	2.1
360.12390	1.1
373.13937	100.0
373.23065	4.8
374.14301	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	373.139
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73002	0.3
53.03933	0.8
55.01851	0.6
55.05489	1.3
57.03390	0.6
65.03929	4.5
67.01854	1.0
67.05495	2.0
68.99770	4.0
69.03411	0.7
69.07043	1.5
70.06564	1.6
71.04986	0.6
71.75336	0.5
72.08130	0.7
79.05459	1.7
81.03397	1.1
81.07056	3.3
82.06576	0.5
82.36248	0.4
83.04936	0.4
83.08593	0.4
83.54981	0.4
84.08112	1.4
85.02879	0.8
85.06532	0.4
86.09675	0.9
91.05441	2.4
92.04993	5.0
93.03385	1.5
93.05795	0.4
93.07043	2.6
94.06566	1.3
95.04953	1.7
95.08602	2.8
96.08125	1.1
97.02892	0.5
97.06525	0.6
99.04414	0.4
103.05470	0.5
104.05002	2.3
105.04549	0.5
105.07010	2.0
107.04991	0.5
107.08572	2.3
108.08098	5.9
109.02852	0.7
109.06483	0.6
109.10142	1.8
110.06033	0.5
110.09639	1.5
118.06716	0.4
119.08550	1.2
120.04449	15.0
120.08089	2.8
121.10129	1.4
122.06013	3.0
123.04379	0.4
123.07983	0.6
123.11683	0.8
124.07591	0.5
125.05943	0.4
125.09614	0.5
129.06961	0.6
131.04968	0.4
131.08614	0.4
132.04439	1.6
133.10081	1.7
135.08054	0.6
135.11664	0.6
136.07556	8.7
137.05927	1.4
138.05498	2.8
138.09081	2.3
145.10036	0.4
146.06075	0.4
147.04344	0.4
147.11655	1.1
148.07553	2.4
149.09683	0.7
149.13245	0.7
150.05495	0.5
151.03896	0.9
151.07500	0.8
153.05441	0.8
154.08582	2.4
159.11642	0.8
160.03918	4.9
161.13251	0.5
162.05496	5.0
164.03423	0.6
165.09061	1.6
165.12758	0.6
166.08623	6.6
167.07014	1.7
173.05923	0.4
174.05452	0.6
175.14719	0.6
178.04991	1.7
188.03404	100.0
189.03725	3.4
194.09740	0.5
196.09843	1.1
197.10730	0.6
202.04930	1.1
204.99341	0.4
205.01489	0.7
206.04466	13.9
211.08484	0.6
211.12350	0.6
220.06032	7.5
224.09346	0.8
225.10199	1.2
239.11757	1.8
243.11208	0.7
252.08911	1.6
253.09541	1.0
255.11288	0.9
267.11240	3.2
269.12759	2.6
270.16910	0.6
271.10858	0.5
273.12363	0.8
280.08417	1.2
281.09018	0.4
285.12244	1.3
295.10748	3.8
297.12341	2.4
299.10104	1.4
313.11832	5.2
323.10239	10.4
324.10672	0.5
337.21527	0.5
341.11285	36.9
342.11658	2.1
355.13019	1.9
359.12189	0.5
373.09564	0.6
373.13742	4.0
373.18002	0.9
373.27454	0.5
378.32272	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.128
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	1.2
55.01864	5.6
55.05482	1.0
62.18610	1.0
65.03921	4.1
67.05484	2.2
69.58388	7.4
70.06584	2.0
71.01350	9.0
79.05479	5.2
81.03381	1.1
84.08115	1.2
85.02882	1.5
86.09684	3.3
91.05463	9.2
93.03372	2.2
93.07013	4.0
95.04961	7.7
103.05463	6.8
105.04533	1.1
105.07010	1.5
107.04955	7.3
108.02091	3.3
109.02872	2.4
109.06484	1.3
110.03654	2.0
111.04418	9.4
115.05431	1.9
117.07000	1.2
118.04154	5.2
119.04896	3.9
121.06479	7.2
123.04425	6.7
124.05238	1.1
125.05976	7.3
131.04895	3.9
133.02849	1.9
133.06456	1.7
135.04393	14.1
136.05159	1.3
137.05968	5.7
139.03856	2.5
141.05450	2.1
143.98982	1.0
144.04475	1.2
145.06483	1.8
146.03590	5.3
147.04404	12.2
147.08093	1.2
149.06004	5.6
150.06728	9.0
151.03894	100.0
151.04947	5.4
152.04343	1.9
153.05452	9.7
159.08057	2.0
160.05148	1.2
161.05943	8.5
163.03894	4.9
164.04546	1.1
165.05464	4.0
165.06825	1.3
166.06262	2.3
167.03407	1.0
167.07047	6.8
175.07498	3.7
175.14751	1.0
177.05469	18.1
177.06955	1.7
178.06244	47.8
179.06987	8.0
179.08501	1.7
191.07033	1.5
194.07260	1.5
195.06532	8.9
196.07291	35.3
197.07645	1.5
197.09396	1.1
201.05417	1.2
203.07001	7.6
205.06436	1.2
209.09642	2.4
211.07584	1.8
221.05992	2.2
221.08076	4.6
222.06664	2.4
231.06631	1.8
233.05850	1.6
234.06650	1.9
235.07487	1.8
236.08347	2.2
237.09059	2.3
239.06953	4.1
251.06992	1.7
253.08585	2.0
265.08594	3.9
267.06454	1.1
281.08084	1.5
283.09674	2.3
294.08591	1.3
297.11273	3.1
299.09100	2.0
311.08990	1.3
315.12259	3.3
323.09189	2.3
325.10690	3.6
327.12250	1.8
343.11761	18.7
355.11667	3.0
373.12985	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	373.1278
Annotation	Prosogerin C
Peak:m/z	Relative Intensity
50.32002	0.3
55.05492	1.1
56.05030	0.5
56.96534	0.4
57.03410	0.5
58.99566	0.5
67.05502	2.0
69.03399	1.4
69.07045	0.9
69.67782	3.1
70.06567	0.7
71.04993	0.5
79.05474	1.5
80.05009	0.4
81.03392	1.7
81.07036	2.9
83.04932	0.7
83.08575	0.5
84.08132	0.5
85.02872	0.9
85.24026	0.4
86.00634	1.2
86.09687	0.5
87.02699	0.5
88.03963	0.7
91.05468	1.7
93.07030	1.5
94.06556	0.5
95.04954	0.6
95.07336	0.5
95.08569	1.4
97.02843	0.4
97.06531	0.6
97.97612	0.4
99.04460	0.5
100.14702	0.3
105.07012	1.6
107.08581	1.0
108.08052	0.6
109.06519	0.4
109.10143	0.9
111.02597	0.5
113.57977	0.4
119.04919	0.5
119.08547	1.0
121.02833	0.6
121.06483	0.5
121.10141	0.5
123.11690	0.5
125.02331	0.6
125.04226	0.5
130.06862	1.2
131.08583	0.9
133.10107	0.7
147.04405	1.1
147.11690	1.3
148.05206	0.5
151.03896	3.7
153.01807	5.9
154.06842	1.7
162.06725	1.5
163.07507	3.9
165.05461	2.2
166.15857	0.5
168.06573	0.5
171.02893	1.3
173.96638	0.4
175.11125	0.4
178.11563	0.4
181.01309	1.3
195.02887	0.6
199.02359	2.1
211.08725	0.6
225.10347	0.6
239.07004	0.5
239.11728	0.9
241.08687	0.7
244.07362	0.4
253.09570	0.9
254.05762	0.6
257.09775	1.2
259.11209	1.0
267.06403	1.1
267.11270	1.2
268.07230	1.5
269.08002	1.6
269.10599	0.7
271.05740	0.5
281.08090	0.6
282.05264	0.9
283.06158	0.9
283.09579	2.3
285.08899	1.6
289.44128	0.4
295.06015	1.4
295.10626	0.5
296.06778	3.4
297.04346	0.7
297.07358	2.9
299.05460	2.4
299.08896	0.9
300.06158	0.7
301.13235	0.9
311.05466	0.9
311.09006	6.5
312.09845	10.2
313.03470	0.8
313.06949	4.3
313.12018	2.5
314.04358	0.8
314.07651	2.2
315.08615	10.0
323.05411	1.2
324.06137	0.5
325.06967	1.0
327.04926	4.8
327.08603	9.5
327.16882	0.5
328.05597	1.1
328.09048	0.6
329.06274	0.6
329.10101	12.5
330.10678	0.9
339.05005	0.7
339.08618	5.1
340.05756	0.7
340.09354	4.1
341.06467	3.4
341.10275	2.8
342.07211	0.8
343.08087	31.0
344.08667	2.0
355.07932	1.4
355.16840	1.1
355.26245	0.5
357.09637	11.6
358.10342	5.4
373.12796	100.0
374.13150	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	373.1278
Annotation	Tangeritin
Peak:m/z	Relative Intensity
61.31495	0.4
68.99782	0.5
69.03407	0.8
70.09591	2.3
81.07034	0.8
91.05494	0.6
98.20854	0.6
99.04435	0.9
101.54146	0.4
109.10117	0.6
127.03948	2.4
129.14528	0.4
132.05705	0.5
133.06503	2.9
134.07211	0.5
135.04399	4.6
137.02310	0.6
161.06033	0.5
168.00560	0.9
183.01253	0.7
183.02866	12.7
186.01547	1.6
193.01305	1.1
201.03857	0.5
201.05492	0.6
211.02365	8.0
214.06128	0.9
227.06918	1.3
228.04205	2.4
229.03134	3.2
229.05119	1.3
239.07040	0.5
242.05698	0.7
243.06516	1.1
244.07289	1.1
247.05893	0.7
254.05797	0.7
269.08060	2.5
271.06006	8.1
272.06677	2.0
282.05209	2.5
283.06036	3.2
285.03995	2.2
285.07053	0.5
295.09528	0.6
297.07556	11.4
298.07883	0.9
299.05463	3.7
300.06232	9.0
311.09250	0.9
312.09607	1.0
313.07053	0.8
314.07605	0.5
315.05038	0.9
315.08572	4.2
325.06979	6.5
327.08511	2.1
328.05740	6.8
329.10175	1.2
339.08466	0.8
343.08096	100.0
344.08456	5.6
357.09464	0.7
358.10440	12.8
359.10739	1.0
373.12787	96.7
374.13251	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1278
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	2.7
59.57804	2.5
67.05520	3.3
69.07046	3.2
70.06583	7.3
71.05300	7.5
72.08157	4.0
78.91457	2.6
79.05497	4.1
81.03409	2.5
86.09702	33.8
87.10038	4.1
91.05475	12.1
95.04977	3.9
103.05466	5.4
105.07021	5.2
111.04458	3.7
114.16096	2.7
115.05455	6.9
118.06537	4.4
119.04912	11.7
120.08080	10.2
121.06474	2.8
122.03648	7.5
131.04904	8.3
133.06490	8.5
135.04356	3.2
137.05960	55.7
145.06490	7.0
146.06017	6.2
147.04408	10.0
149.05957	6.5
150.06668	3.0
151.03867	3.3
158.03654	10.8
161.06023	14.4
162.06760	4.6
163.07584	4.5
165.05537	3.4
165.06898	3.7
173.05989	16.9
175.03934	3.7
175.07530	5.9
177.05464	6.3
189.05525	2.7
193.04921	3.2
194.07158	4.6
201.05466	100.0
202.05835	2.6
205.06482	8.3
214.75336	2.8
219.06552	8.4
221.06062	4.0
222.06807	5.1
223.07532	3.6
225.09103	3.7
231.06493	4.5
233.05931	7.9
234.06764	9.2
237.09117	8.9
249.05559	3.0
249.09137	3.3
250.06407	3.4
251.06999	5.8
253.08635	6.3
264.07800	4.6
265.08640	16.8
277.08560	4.6
279.06296	2.9
292.07291	4.5
293.08081	15.9
295.09595	3.9
297.11200	3.0
305.08142	5.4
307.09781	17.1
309.11252	4.0
310.08450	3.5
313.10580	7.9
323.09119	5.9
325.10678	37.0
337.10693	6.0
343.11703	6.4
355.11789	16.0
373.12787	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	373.1279
Annotation	Glycosmisic Acid
Peak:m/z	Relative Intensity
53.18981	1.6
54.31562	1.5
65.82195	1.6
70.06583	2.8
70.11993	6.5
70.12421	3.6
73.77232	1.6
86.09712	3.5
91.05467	8.6
95.04986	1.9
98.20795	2.1
103.05436	2.8
105.03311	1.9
105.07008	3.1
115.05462	5.9
117.06994	2.4
119.04932	9.7
122.03636	3.4
131.04884	2.7
133.06493	2.2
135.04384	2.0
137.05965	36.1
138.08327	1.6
140.28058	1.8
143.04898	2.2
145.06465	6.5
147.04413	5.9
149.06001	1.8
150.06783	3.5
151.03867	3.0
158.03624	9.2
161.05978	7.5
162.06775	3.0
163.07510	3.0
165.06981	2.5
167.07008	4.0
173.05948	19.8
175.03951	6.1
175.07607	4.9
177.05470	2.1
177.07007	2.7
179.07028	2.5
181.06522	2.7
185.06113	2.1
186.03123	6.6
189.07001	2.0
194.07214	2.0
195.07991	1.9
201.05444	100.0
202.05818	4.1
205.06523	7.5
219.06412	9.0
221.06068	5.9
222.06747	5.7
223.07465	1.7
225.09007	1.8
227.06914	2.4
231.06398	3.0
233.05971	5.3
234.06735	5.7
237.09071	6.7
247.07698	2.8
249.09126	3.8
250.06250	6.0
251.06871	1.9
253.08598	4.8
261.05475	2.0
264.07779	3.0
265.08533	10.9
266.09320	2.4
267.06552	2.9
277.08670	4.5
278.05756	2.6
279.06607	2.6
281.08035	2.8
283.09833	2.0
285.11093	2.5
290.05685	2.1
292.07385	4.4
293.08038	14.3
297.07980	1.9
297.11230	5.0
299.12854	1.6
305.08112	5.4
307.09637	12.9
309.11206	1.8
310.08484	2.4
311.09222	1.9
311.12808	1.8
313.10693	5.7
323.08997	3.6
325.10678	38.6
327.12473	2.2
337.10678	3.5
343.11713	3.0
355.11880	13.6
373.12805	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	373.1278
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96038	1.4
51.79587	1.1
56.00969	1.3
59.34990	1.2
59.59604	1.3
63.09160	1.6
63.90749	1.3
70.04246	6.2
70.06567	5.3
72.08131	3.3
84.08115	3.7
86.09690	11.2
89.03946	1.6
91.05462	8.5
94.04194	1.4
98.21333	2.6
103.05449	3.6
105.07000	3.5
107.04936	1.7
115.05428	5.3
117.07000	2.8
119.04931	9.2
121.06490	1.9
122.03619	3.8
129.10266	2.2
130.04164	1.9
131.04893	2.4
133.06505	1.3
135.04407	1.9
137.05962	53.4
141.10161	1.4
143.04895	3.3
145.02887	1.7
145.06467	5.6
147.04398	7.8
149.05952	4.9
150.06741	5.0
151.03900	2.0
151.07544	1.9
157.13351	1.7
158.03615	8.8
160.05159	1.9
161.05942	3.6
162.06738	4.2
163.07509	2.7
165.06975	2.5
173.05965	17.0
175.03886	4.1
175.07481	3.5
177.05441	3.9
177.06953	2.7
179.07135	1.5
185.12817	2.4
186.03101	5.6
189.12268	2.3
193.04918	1.9
193.06526	1.8
194.07182	2.6
201.05443	100.0
202.05797	4.2
204.04140	2.3
205.06458	8.0
206.07100	1.9
207.06448	2.5
217.06616	1.4
219.06433	13.9
221.05920	3.7
222.06717	6.2
225.09090	2.3
231.06483	3.3
233.05948	7.0
234.06645	7.0
236.05005	1.3
237.09087	8.2
247.07573	2.5
248.08188	1.8
249.05618	2.6
249.09116	2.6
250.06155	5.6
251.06946	3.1
253.08545	3.0
261.05582	1.6
262.06210	3.2
263.06857	2.6
264.07874	2.8
265.08505	13.9
266.09079	1.6
267.06454	2.4
273.05484	1.9
277.05209	1.6
277.08548	4.0
278.05603	4.5
279.06531	2.6
282.08682	1.9
283.09784	1.7
285.11121	3.0
287.20932	1.8
290.05902	2.1
291.91946	1.6
292.07285	5.2
293.08060	13.8
294.08664	2.0
295.09622	2.6
297.11288	3.8
305.08118	3.8
307.09595	16.4
310.08353	2.4
311.09058	1.8
313.10706	3.3
323.09058	2.4
325.10651	36.1
326.10959	3.2
337.10611	5.1
343.11633	4.5
355.11777	11.3
373.12766	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	373.1127
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.0
55.01875	5.5
55.05504	4.9
56.05025	4.5
57.03425	3.8
60.04519	6.6
61.02922	3.3
64.46943	1.7
65.03925	2.4
67.05501	1.9
68.99780	3.6
69.03418	9.2
69.07038	4.8
70.06586	27.0
70.71778	1.6
71.06915	2.1
71.75154	2.0
72.08147	22.4
73.02907	3.7
73.04734	2.3
74.06075	3.2
79.05489	9.5
79.05926	1.8
81.03416	11.8
81.07024	2.0
83.05007	2.4
83.06090	2.9
84.04523	9.8
84.04916	1.8
84.08134	29.8
85.02893	35.7
86.09697	37.3
87.00808	11.0
87.10049	2.4
91.05403	14.1
92.29596	2.0
93.07036	3.9
95.04955	5.7
97.02876	11.7
98.97591	2.9
99.04458	5.4
102.05512	5.0
103.03938	7.8
103.05460	3.8
105.01851	6.6
105.07040	9.7
107.04939	12.5
107.08603	2.6
109.02876	7.6
109.06541	2.3
110.03660	6.0
110.07159	12.1
110.70226	1.9
111.04384	2.0
111.09148	1.9
113.31490	1.8
115.05449	6.7
115.08675	1.6
116.07096	8.0
116.98624	2.2
117.03381	4.2
117.07015	5.8
118.04085	2.4
118.06487	1.7
119.04948	8.2
119.08602	3.6
120.08102	8.1
121.06493	34.7
122.03674	2.2
125.05979	100.0
126.06264	2.5
127.03905	14.9
129.01758	4.4
129.10231	17.7
130.04111	2.8
130.08624	3.5
131.04898	2.2
131.08514	2.9
132.10167	2.4
133.06487	5.7
135.08046	5.9
136.07570	2.2
137.05959	48.8
142.08604	1.7
143.04837	2.6
145.02852	7.5
145.04979	6.4
145.06468	7.6
147.02896	5.0
147.04410	7.6
147.07756	3.2
147.11572	4.0
149.05969	55.8
149.09587	2.4
151.03886	7.4
151.07471	3.0
158.03685	3.0
159.02922	3.8
161.05951	21.7
161.09264	3.4
162.06592	2.4
163.07471	9.0
165.07033	2.6
167.07025	42.7
167.08269	2.0
167.10667	1.7
170.11595	1.7
171.02843	2.0
171.11276	2.2
173.05989	10.4
175.03954	2.4
175.07556	6.9
177.05508	12.1
179.07059	2.1
179.85455	2.1
181.06534	3.3
187.07504	9.3
189.03873	6.2
189.05487	3.5
191.07053	17.7
192.07251	1.9
193.08443	2.2
193.12344	2.5
194.07231	3.0
201.05440	48.7
201.07285	2.9
202.05785	2.2
203.07101	2.1
205.06425	6.0
205.08382	1.9
210.06662	2.3
213.09589	2.8
215.07036	11.6
219.06422	9.1
221.05952	5.3
222.06653	2.3
225.09029	3.4
233.05931	4.8
233.08133	11.8
234.06708	3.2
235.07501	3.8
237.09102	4.0
241.08469	2.6
250.06366	2.3
251.06876	2.4
253.08612	8.3
264.07883	3.4
265.08572	5.2
267.09946	2.4
277.08405	2.4
283.09637	2.9
285.11307	3.8
293.08044	7.2
295.09650	4.2
297.11133	3.5
299.12769	3.6
303.72537	2.1
305.08057	4.3
307.09613	8.3
310.11737	2.2
313.10754	8.5
323.09012	2.4
325.10614	20.8
325.81519	2.0
337.10654	2.6
341.09946	3.7
343.11581	3.4
355.11456	9.9
373.13992	10.2
373.18320	14.7
373.27716	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	372.3105
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40010	7.5
53.18023	7.5
54.70565	8.2
55.01859	15.2
55.05503	36.4
57.07063	11.6
67.05489	29.1
69.07103	8.5
79.05489	9.8
81.07047	26.7
83.08609	29.6
85.10166	11.7
87.04498	10.2
91.05480	22.4
93.07053	17.7
95.08601	19.9
97.06508	8.1
97.10188	7.8
107.08605	22.5
107.57249	7.2
109.10162	16.4
111.08101	22.7
113.09631	23.1
119.08543	11.0
121.10180	11.3
145.41750	8.7
147.11703	10.8
149.13246	9.3
164.70691	6.9
165.12775	18.5
214.63974	7.4
232.17871	8.3
259.20532	10.4
277.21658	100.0
310.73349	8.7
323.25735	17.3
373.27563	17.3
381.99045	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	373.1127
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.9
55.01863	2.9
56.05027	1.5
57.03425	3.6
57.21654	1.3
61.02898	2.2
64.31248	1.4
68.99777	3.9
69.03412	8.0
69.07059	2.8
69.07443	1.4
70.03668	8.5
70.06581	16.8
70.30959	1.4
71.04980	2.3
71.06903	1.8
72.08147	10.1
73.02913	1.9
74.64155	1.3
79.05479	5.8
80.84275	1.2
81.03391	5.3
84.04493	5.1
84.08132	13.8
85.02895	30.7
86.09695	43.3
87.00815	10.4
91.05408	7.3
93.07028	3.2
95.04953	3.3
97.02886	10.5
99.04446	3.9
102.05527	3.1
103.03929	6.4
105.01838	6.0
105.06995	2.5
107.04937	11.9
107.08566	2.6
109.02863	7.1
109.06458	2.2
110.03630	5.2
110.07105	4.0
111.04428	1.5
116.07060	1.9
117.01814	1.4
117.07015	2.2
119.04943	3.9
120.08102	3.1
121.06483	31.1
123.04441	1.8
125.05974	100.0
126.06281	2.5
127.03917	12.8
129.01840	4.7
129.10222	6.4
131.04956	2.3
131.08580	2.1
133.06467	3.9
135.08066	3.3
137.05960	32.5
140.17024	1.4
143.04836	1.6
145.02847	2.0
145.04950	5.2
145.06473	5.9
147.02878	3.0
147.04350	3.7
147.07704	1.9
149.05966	47.8
150.06764	1.4
151.03896	3.2
157.13324	3.6
158.03661	2.3
159.02922	4.3
159.08099	2.3
161.05962	10.7
163.07503	4.6
165.05542	1.9
165.06955	2.8
167.07021	34.6
169.06528	2.2
171.02940	1.4
173.05968	5.8
175.03926	1.5
175.07530	5.0
177.05447	6.0
177.09077	1.6
181.06464	3.5
185.12859	6.7
187.07539	5.5
189.03970	6.7
189.05443	2.8
189.12344	5.3
190.09663	1.8
190.44820	1.6
191.06979	15.5
191.08501	2.0
193.06534	2.1
194.07228	1.9
199.18239	1.8
201.05437	20.0
215.07018	9.2
219.06380	3.1
221.06064	3.1
222.06834	2.5
225.09065	4.0
231.04805	2.1
233.08061	13.0
235.07481	2.1
237.09091	2.0
250.06165	2.8
251.06996	2.2
253.08618	5.3
262.06393	1.9
265.08505	4.7
267.10233	1.4
268.81995	1.5
281.07971	3.5
283.09244	1.7
285.11017	2.5
293.08014	3.6
299.12717	3.2
301.10593	1.6
307.09647	3.5
313.10614	7.3
323.09082	2.2
325.10544	8.4
337.10361	2.1
355.11710	5.7
373.13156	4.5
373.18286	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	372.2739
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05487	20.8
56.96549	14.6
57.03389	7.1
58.99557	9.7
61.02922	7.0
62.06063	6.8
67.05485	33.9
67.05802	7.7
69.03411	18.8
69.07044	34.6
70.06586	17.6
71.08584	7.8
72.08150	7.6
73.02888	12.8
76.83116	7.6
79.05482	39.8
81.07040	42.8
83.04988	14.2
83.08611	9.5
84.04497	13.6
84.08102	21.8
85.02886	15.0
86.00659	11.5
86.09680	9.2
88.03947	7.7
91.05476	25.9
93.07030	24.4
93.32536	9.0
95.04915	9.8
95.08549	26.1
96.08121	100.0
96.74593	9.1
97.02827	15.0
97.06496	13.9
98.97569	13.7
105.06999	25.4
107.08566	25.0
108.08103	13.5
109.06492	10.6
109.10106	12.8
111.08070	8.1
116.01565	7.2
116.98605	11.7
117.06945	9.4
119.08564	10.7
120.08109	11.1
121.10107	13.3
123.20815	7.5
131.08589	13.0
133.10078	10.0
135.11665	10.4
137.05952	7.5
137.47934	8.4
143.08521	8.4
145.10089	16.9
147.06464	7.6
149.01210	20.2
153.07051	7.2
154.06810	17.5
159.07880	8.3
161.01250	8.1
166.08699	11.6
167.02092	9.6
170.10419	7.0
177.00714	12.0
204.77245	8.3
220.10382	10.3
222.31931	7.8
224.81950	8.3
239.11815	10.1
251.08463	15.9
257.09766	10.7
259.11246	12.0
267.11307	15.7
269.13940	20.1
285.08957	12.0
292.12402	91.7
303.16214	7.8
313.11676	27.3
336.19785	7.9
372.21945	22.9
373.13977	71.6
373.19110	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	372.184
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05381	0.6
56.96428	5.1
56.96748	2.9
64.29992	0.6
69.74451	2.0
69.74889	2.4
71.95140	1.0
73.16425	0.6
85.35788	0.5
87.04338	1.0
98.97477	0.9
125.89875	0.6
128.98404	2.2
136.81056	0.6
141.02171	0.6
146.99625	3.5
149.01091	1.0
165.17937	0.6
165.71413	0.5
171.03130	1.3
175.02585	0.5
179.03720	0.6
185.04881	3.2
185.06107	0.7
189.04109	1.5
191.05806	0.7
193.79459	0.5
197.04721	0.6
199.06448	3.2
203.05878	4.4
205.07277	0.7
211.06271	1.1
217.07430	7.4
219.03276	0.8
223.02649	1.7
223.08321	0.8
224.03477	0.7
226.04964	1.3
231.06773	0.9
237.04335	2.9
237.07849	0.8
249.07895	0.9
253.10898	1.2
255.05363	1.3
262.08691	1.1
267.08893	2.1
271.12036	0.9
279.08936	0.9
280.09821	3.6
281.10251	0.9
285.10007	1.4
298.10815	1.9
303.11160	0.9
307.15610	1.3
325.16788	0.9
331.15686	19.4
349.16806	100.0
350.17017	2.8
367.17899	4.3
372.18445	21.1
372.34613	2.3
373.18668	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.2739
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	15.0
55.05496	41.4
56.96547	9.5
57.03428	8.7
57.07064	7.6
63.37948	5.6
67.05496	73.7
69.03417	8.7
69.07065	51.3
69.84895	46.5
70.06583	9.6
71.04991	14.5
71.08627	6.5
72.08125	6.7
79.05491	58.7
81.07054	100.0
83.08603	11.5
85.06538	8.0
87.04470	16.1
88.07641	15.6
91.05469	37.7
93.07041	43.3
95.04958	30.0
95.08596	42.4
97.02947	6.0
97.06535	30.0
97.10184	7.0
99.08095	13.2
105.07027	29.0
107.04967	9.3
107.08587	32.4
109.06490	6.8
109.10136	16.4
111.08082	9.1
113.40919	5.8
117.06993	10.3
119.08541	20.7
121.06468	9.1
121.10123	21.9
122.10464	6.2
123.08045	10.3
131.00197	8.5
131.08562	24.2
133.10104	17.5
135.08018	7.4
135.11649	18.1
139.11180	10.2
143.08568	8.1
145.10126	11.5
147.07999	10.7
147.11659	15.4
149.01218	16.9
149.09590	11.3
159.11670	8.9
161.09628	12.1
163.11201	9.3
175.11200	9.1
186.59029	7.0
187.13300	11.8
193.12216	8.3
252.51566	7.1
263.19968	7.5
273.18423	20.4
291.15366	19.2
291.19513	34.7
313.35812	6.5
319.22693	29.9
337.23834	6.9
355.26318	10.9
372.17896	12.8
372.25873	13.5
372.34735	28.8
373.27652	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	372.1288
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.4
55.01863	0.3
55.05497	0.4
56.05015	0.3
61.02918	0.4
67.05499	0.5
69.03425	1.2
70.06583	2.6
70.18241	1.1
71.01316	0.2
72.08148	2.3
73.02911	0.3
73.04762	0.4
77.03876	0.3
79.05490	2.3
81.03407	0.8
81.07043	0.5
83.06091	0.7
84.04478	1.3
84.08129	1.7
85.02891	3.0
85.06500	0.3
86.09698	1.7
87.05622	0.3
88.03976	0.6
91.05785	1.3
92.05717	0.5
93.04508	0.7
93.07042	0.4
94.06561	4.1
95.04963	0.7
95.06073	0.7
97.02888	0.9
98.20777	0.3
99.04452	0.4
102.05571	0.4
103.71178	0.2
105.06968	0.3
106.06545	100.0
107.04952	0.6
107.06861	2.5
108.08117	0.3
109.02885	0.5
110.07156	4.7
111.04359	0.3
115.03950	0.3
116.07124	0.3
118.06512	1.7
120.04457	2.0
120.08096	0.5
122.06008	0.3
124.07592	1.0
124.11240	0.4
127.03901	0.7
129.10243	0.7
130.04977	0.9
130.06505	0.3
134.06000	2.0
135.04366	0.5
137.05969	0.6
138.05437	0.6
142.06517	0.7
142.08630	0.3
146.06007	1.4
147.04390	0.6
148.07596	0.5
150.05484	0.8
151.06114	0.3
151.07451	0.3
152.07048	4.3
153.04057	1.1
156.04587	0.3
156.07739	0.5
158.06038	0.3
159.09180	1.0
163.03870	1.2
164.07062	0.7
166.08661	0.3
168.06564	0.7
170.08142	2.6
174.05508	0.8
192.06505	1.9
193.08652	0.3
203.08133	0.3
208.09589	0.4
210.07637	2.1
210.11284	0.3
210.14940	0.3
236.12653	0.3
237.13040	0.4
240.07237	0.5
269.05701	0.5
269.97766	0.3
286.01025	0.5
308.19733	0.8
326.20892	0.5
340.19702	0.6
354.06866	0.3
354.20523	1.6
372.08273	0.3
372.12268	0.3
372.16699	0.6
372.21167	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	372.1151
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33576	0.3
55.01867	0.3
56.96556	0.5
57.03426	1.1
58.47981	0.3
66.61703	0.3
69.03424	1.2
69.88033	2.0
70.02931	1.5
70.06596	0.7
73.02902	0.7
81.04531	0.4
84.08130	0.9
85.02895	1.7
86.09708	0.3
88.03980	18.8
97.02897	1.0
98.20712	0.6
98.97560	0.7
108.60048	0.3
110.03516	7.2
114.09261	0.3
115.03894	0.7
118.12405	0.4
124.05038	0.5
128.04536	0.9
133.04932	0.8
136.01413	1.5
151.06129	1.4
153.04057	100.0
154.02464	11.2
154.04434	0.9
176.04492	0.4
177.04132	0.7
178.04970	0.4
194.06715	6.4
195.04939	0.5
210.07541	0.5
210.11130	0.4
219.05150	0.7
240.07246	60.1
241.07498	0.9
268.14908	0.3
268.58707	0.3
296.54501	0.3
372.11710	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.1288
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	0.4
55.01862	0.3
58.06552	0.2
59.53804	0.1
67.05504	0.2
69.03413	0.7
69.39350	1.1
69.39765	0.5
70.06590	1.3
71.04961	0.2
72.08138	1.2
73.02892	0.2
73.04729	0.2
73.08474	0.2
76.17142	0.1
77.03921	0.1
79.05477	1.6
81.03410	0.8
81.07051	0.2
84.04486	0.6
84.08138	1.1
85.02898	0.9
85.42124	0.2
86.06068	0.1
86.09694	0.9
87.00799	0.3
87.04482	0.2
88.03956	0.1
91.05390	0.5
91.05805	0.6
93.07026	0.2
95.04942	0.6
96.04498	0.2
97.02888	0.5
99.04498	0.2
104.05147	0.1
104.07143	0.2
105.07016	0.2
106.06541	100.0
107.04932	0.3
107.06226	0.3
107.06879	2.3
107.08490	0.2
108.08114	0.3
109.02891	0.3
110.07156	1.0
115.05403	0.1
115.82819	0.1
116.07071	0.2
118.06503	1.1
120.08088	0.2
121.06464	0.2
122.06033	0.2
123.04476	0.2
124.02251	0.2
124.07594	0.4
127.03905	0.4
128.57953	0.1
129.10184	0.4
130.05035	0.2
130.06563	0.2
132.08081	0.2
134.06018	0.3
135.04349	0.2
136.07599	0.2
137.05965	0.2
138.03714	0.2
144.06560	0.3
145.04936	0.3
147.08051	0.2
148.07591	0.4
152.07021	0.2
153.04088	0.3
159.02866	0.2
161.09309	0.3
165.05423	0.1
166.03244	0.5
167.06975	0.2
171.12962	0.2
193.08444	0.2
195.92967	0.1
209.15511	0.2
210.11130	0.3
223.11946	0.2
240.07199	0.3
240.54272	0.1
241.12933	0.2
269.05887	0.9
279.17242	0.2
286.01022	0.3
329.11493	0.2
354.11609	0.5
354.20251	0.2
372.12442	0.5
372.16656	0.3
372.20908	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.3154
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	65.8
57.03442	11.9
57.07064	49.2
67.05505	75.6
67.73237	6.5
69.07065	100.0
69.84518	5.9
71.05017	7.2
71.08614	23.9
71.74572	8.8
71.74928	7.6
72.04498	7.0
72.92679	7.2
79.05481	47.9
81.07046	97.8
82.87807	6.0
83.08608	74.8
85.06580	9.0
85.10175	19.3
89.06030	9.5
91.05459	11.4
93.07024	57.4
94.53079	6.3
95.04951	7.8
95.08598	81.9
97.06525	31.9
97.10179	49.5
107.08606	55.2
109.10133	53.4
111.08115	9.7
111.11723	20.8
121.10114	71.0
123.10882	8.1
123.11707	28.7
135.11665	62.9
137.13220	9.6
143.08383	6.7
147.64812	6.1
149.13263	33.9
153.12790	8.5
163.14819	18.7
165.16380	8.7
177.16315	16.3
261.25766	66.2
279.26825	65.5
353.30542	54.3
371.25754	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	371.29
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05482	5.0
57.07065	28.6
67.05491	9.0
69.07048	6.5
70.02937	6.1
71.08621	23.0
71.45002	3.4
72.13627	1.6
74.02434	25.3
79.05461	2.5
81.07045	14.1
83.08598	9.2
85.10190	11.8
87.05579	79.1
88.03978	60.3
88.07613	2.8
91.05820	2.5
95.08596	18.5
97.10149	5.1
98.02411	3.9
99.00808	4.5
105.06999	3.2
105.53044	1.6
109.10136	11.2
111.11734	1.8
116.03449	13.2
117.07011	2.1
123.11648	3.8
131.08513	1.9
133.06070	100.0
133.14644	2.0
147.06419	3.2
216.58823	1.7
239.23682	19.9
256.26318	12.9
336.78821	1.7
354.26340	47.8
371.25665	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	371.3153
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	67.2
57.03430	15.4
57.06796	3.5
57.07071	58.2
57.22476	2.3
57.83969	2.4
59.05001	2.9
67.05500	78.8
69.07065	98.9
71.04982	7.5
71.08630	29.9
75.04475	3.8
79.05486	41.6
81.07052	100.0
81.21804	2.6
83.04975	5.4
83.08614	71.3
85.06544	6.6
85.10169	14.3
91.05477	10.5
93.07037	64.1
95.04992	3.1
95.08598	83.0
95.45132	2.3
96.36948	2.5
97.06525	27.4
97.09571	4.8
97.10159	50.5
98.21498	3.1
101.05988	3.3
103.03928	4.0
105.07028	4.2
107.04963	2.3
107.08582	42.5
109.10153	46.9
111.08053	14.2
111.11714	21.1
119.08649	3.8
121.10130	80.0
123.11685	20.0
125.09612	7.0
125.13289	7.8
128.44389	2.3
129.05498	4.8
129.07013	3.2
131.08568	3.0
135.11674	70.6
137.13245	8.6
139.11180	7.2
143.08502	2.8
145.10115	2.3
147.06496	3.0
149.13240	31.8
151.14822	6.1
153.12790	5.5
157.12201	2.7
157.15834	4.3
163.14806	16.4
165.16380	9.3
167.14287	3.5
177.16373	10.7
179.17982	7.0
181.15846	4.0
183.17326	2.7
189.12839	3.0
191.17902	6.6
195.17432	4.5
205.19490	5.3
209.18988	3.8
261.25757	66.9
279.26807	59.3
297.27832	3.8
343.99582	3.0
353.24298	4.1
353.30502	45.3
371.25641	13.6
371.31134	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2212
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	0.5
55.01868	0.5
57.06798	0.4
57.07069	8.2
65.03938	0.3
67.05482	0.8
69.07046	0.4
71.46136	0.5
77.03938	0.3
79.05480	1.1
81.03403	0.7
81.07040	3.8
83.01337	0.6
83.05010	0.2
85.06493	0.4
90.12170	0.3
91.05467	1.5
93.07040	1.3
95.04970	0.4
95.08584	0.7
105.07001	0.6
107.08575	1.3
109.02858	1.3
109.06512	4.5
109.10130	1.1
111.11739	0.2
119.04894	0.8
119.08527	0.4
119.16457	0.2
121.10060	0.3
121.81343	0.2
123.11696	12.7
124.12054	0.3
127.03861	1.2
133.10127	0.3
135.11665	1.3
137.05971	7.1
139.03850	0.3
147.04431	0.3
147.29813	0.3
151.07526	0.5
153.05472	2.6
163.07513	0.7
165.05458	100.0
166.05765	2.4
167.07014	1.2
175.07613	0.3
179.07019	1.0
189.05203	0.2
189.16379	0.3
193.08585	0.3
195.10123	0.5
199.11185	0.2
203.06996	0.7
205.08575	0.5
207.10118	2.3
207.17429	0.5
217.08504	0.3
231.10120	0.4
245.11804	0.3
251.10321	0.3
266.28906	0.3
269.15311	1.1
287.16388	50.7
288.16776	2.5
371.22064	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42715	2.2
55.01850	2.8
55.05492	5.4
56.05023	5.4
57.03430	3.4
60.04500	2.4
62.53339	1.9
65.03908	2.2
67.05472	6.8
68.05013	2.4
69.03404	6.9
69.07052	2.5
70.06593	21.8
71.04968	3.3
71.71812	3.4
72.08135	6.5
73.04749	13.2
79.05465	8.2
81.03395	3.8
81.07021	6.2
83.04982	3.6
83.06112	2.2
83.08600	2.0
84.04497	36.6
84.08163	9.9
85.02896	34.1
86.06040	12.0
86.09700	5.1
88.03983	2.9
89.05995	5.5
91.05816	74.6
92.05666	2.7
93.03739	2.6
93.07009	5.7
94.06544	3.7
95.01314	2.9
95.04932	6.0
95.08596	8.7
96.08103	13.6
97.02892	4.5
97.06523	2.6
98.97631	2.3
101.06026	3.0
101.07108	5.8
102.05530	11.0
105.07018	8.7
106.06555	5.8
107.04930	3.8
107.08547	7.9
108.08125	3.3
109.02855	3.4
109.06512	6.1
109.10131	2.5
110.09664	3.5
111.08035	5.2
113.02345	2.2
114.07335	6.6
116.07085	4.8
116.98576	2.0
117.06963	3.2
119.04912	2.7
119.08564	8.2
121.06501	4.6
121.10119	4.8
122.05980	6.5
122.09659	19.1
123.04399	7.0
123.08023	3.2
124.07559	2.4
124.11221	51.7
127.03870	2.4
129.05429	3.1
130.04993	100.0
131.08528	3.5
133.02823	3.6
133.06346	2.4
133.10086	3.2
134.03586	4.6
134.09665	3.8
135.04425	2.7
135.08041	5.6
136.07510	5.2
137.02284	2.6
137.06012	4.5
137.09604	1.9
147.04367	7.4
147.06606	3.6
147.07750	4.1
147.11665	7.2
148.11159	4.5
149.02287	2.3
149.09497	1.8
149.13232	3.7
150.05568	4.1
150.06668	2.0
150.12735	4.7
151.03882	3.5
151.09598	4.5
152.07066	2.3
153.04065	7.6
153.09030	2.5
157.10114	6.4
160.11093	2.0
161.02365	2.1
162.09108	8.2
162.12741	5.5
164.10571	2.0
165.12758	2.2
166.12277	12.0
167.05586	2.5
167.07036	2.3
170.08095	2.2
174.12767	3.8
175.11147	10.2
178.08696	2.3
179.03400	20.3
180.13837	4.2
182.15350	2.0
188.10597	2.1
190.12207	14.0
191.03435	3.5
191.10599	2.2
192.10234	2.1
192.13823	5.9
194.02243	2.3
196.13300	2.0
198.09166	2.7
203.05321	1.9
207.14967	3.7
208.09702	12.7
208.13313	2.9
209.02731	2.1
209.04405	12.1
209.13811	2.5
210.14890	31.4
224.16438	18.7
227.10294	2.5
234.11339	4.4
236.12790	46.4
239.04187	4.6
240.07211	3.1
242.17462	2.1
251.13876	4.7
253.15469	29.1
267.00027	4.9
268.97888	14.6
283.02966	3.0
285.00946	30.0
286.00974	4.7
293.18677	2.4
299.05972	4.8
303.01999	8.1
303.17017	2.6
309.18100	2.2
309.83780	1.9
310.04666	6.0
321.18112	11.2
322.16367	11.5
325.07245	2.1
325.21158	2.4
326.16006	3.8
336.18237	9.0
339.19101	70.1
340.19464	2.6
344.94583	1.9
353.06641	13.2
353.16550	3.1
353.20700	52.8
354.20709	1.9
355.06976	23.3
356.07007	4.6
371.07364	5.5
371.16904	11.1
371.21704	86.2
372.16522	15.0
372.21237	3.7
374.08423	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2059
Annotation	(6R,9S)-3-Oxo-alpha-ionol beta-D-glucoside
Peak:m/z	Relative Intensity
51.81378	1.8
53.03930	4.1
55.01854	3.0
55.05515	8.8
57.03423	6.0
57.07064	3.5
59.04992	2.9
61.02909	3.8
66.45427	1.9
67.05494	6.2
69.03429	12.6
69.07053	12.1
69.68977	7.0
69.69401	7.9
70.06589	15.4
71.01346	1.9
71.04972	5.8
72.08128	6.7
73.04734	6.1
74.06092	1.9
79.05485	10.4
81.03414	10.5
81.07048	26.4
83.04953	9.7
83.08602	13.3
84.04462	6.0
84.08123	7.7
85.02901	21.5
85.06551	3.3
86.09701	15.8
91.05862	17.1
93.07039	10.3
95.04958	100.0
95.08585	7.2
97.02856	6.6
97.06494	4.0
99.04441	26.6
99.08062	1.8
101.06013	2.1
102.05542	1.9
102.70766	1.7
105.07022	9.7
106.06548	2.7
107.04944	2.5
107.08590	15.8
109.02879	6.3
109.06490	12.4
109.10119	10.5
110.07162	2.4
111.08080	8.5
116.07056	5.5
119.08562	5.2
121.06500	4.3
121.10122	16.9
123.08062	5.4
123.11702	6.0
125.09608	3.0
125.13239	3.7
127.03888	10.4
129.05458	3.1
129.10191	4.5
131.08595	2.0
133.10121	9.6
135.07991	10.5
135.11687	2.6
137.05933	4.3
137.09590	3.4
139.11148	2.3
145.04916	4.3
145.10088	4.2
145.31361	1.8
146.72835	2.1
147.04352	2.3
148.00777	1.9
149.09583	3.2
149.13264	13.1
151.11188	4.0
153.09090	32.9
161.05951	2.6
163.11209	4.6
163.14761	5.6
165.09102	2.5
167.07018	5.2
167.14310	16.4
169.09665	1.9
173.13235	7.1
191.14270	15.7
201.08620	2.1
209.15335	46.2
210.11047	2.1
268.97818	5.4
285.00919	7.1
291.09775	2.1
303.02045	2.4
305.12946	2.0
353.06454	4.5
355.06888	4.2
371.07986	5.3
371.16910	11.4
371.20511	2.9
372.16956	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2062
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	5.5
55.01851	6.8
55.05511	13.8
57.07069	4.5
60.25000	2.4
60.96289	2.9
61.17681	2.5
65.03928	3.0
67.05499	75.9
67.42393	2.8
68.99773	3.3
69.03418	3.6
69.07057	11.5
70.06577	5.1
70.76973	5.9
70.77371	5.8
71.04982	10.3
73.04781	3.8
75.19057	2.4
79.05484	51.7
81.03399	7.7
81.07053	100.0
81.07543	4.8
83.08604	10.5
84.08131	3.5
85.02916	3.9
85.06548	21.9
86.09698	7.8
87.00815	10.9
91.05415	47.5
93.07038	52.5
95.04969	10.1
95.08598	71.3
97.06519	7.6
97.10210	2.8
99.08089	12.1
101.06021	6.4
103.05470	7.0
105.07014	37.0
107.04994	17.3
107.08578	35.2
109.02851	3.7
109.06485	4.5
109.10156	28.2
111.04456	10.5
114.95260	2.6
115.05468	5.3
117.06989	8.1
119.08593	36.6
121.06538	4.2
121.10136	46.9
123.04426	7.3
123.08130	2.6
123.11706	13.9
125.05976	5.0
125.15141	2.9
128.06152	3.2
129.05476	3.1
129.07014	12.0
131.04893	3.7
131.08572	9.7
132.05682	2.9
133.06493	4.2
133.10118	37.1
135.08025	5.1
135.11673	23.0
137.05992	16.6
137.09627	3.9
137.13214	5.3
143.08528	3.4
144.05673	3.8
145.10078	8.4
147.06523	6.5
147.08047	7.9
147.11639	27.0
148.12004	2.9
149.06070	4.4
149.09673	4.8
149.13245	9.3
151.11128	4.8
153.05428	2.9
157.06369	3.3
157.10112	5.1
159.08080	4.8
159.11746	3.9
161.05986	9.8
161.09624	6.9
161.13225	14.9
162.06731	2.9
163.04041	3.0
163.14803	4.0
165.09145	6.6
167.07027	70.5
168.07341	2.7
171.11757	4.0
175.07527	14.2
175.11250	6.5
175.14760	5.3
177.05449	6.2
177.09158	5.4
177.16339	5.8
179.06940	3.1
187.07640	13.8
189.09248	3.7
189.12706	3.2
189.16382	3.0
190.07790	3.7
191.06953	6.8
193.12263	3.7
199.07646	4.5
201.09213	3.4
202.07735	4.0
203.08504	4.3
203.17928	53.0
204.18358	2.9
206.07199	4.4
213.16385	15.3
217.08563	5.6
221.09723	3.3
221.19051	8.3
231.08125	4.3
231.17365	15.5
232.08377	2.8
233.09679	3.2
235.07526	4.8
236.08394	3.1
239.06978	3.7
239.20039	12.2
240.07837	4.3
249.09085	9.4
249.18489	8.9
250.06204	4.1
250.09613	3.6
251.07045	4.4
251.10553	3.2
257.08054	4.2
261.08817	4.6
263.06967	5.6
265.08554	4.4
266.09003	3.1
267.19696	4.2
268.97574	3.1
271.16861	3.3
277.08551	6.1
279.09860	3.2
281.11780	7.6
283.09512	4.5
285.00888	3.3
285.07660	4.1
289.08499	4.8
293.07791	3.8
293.11649	3.3
294.08612	3.2
300.09824	13.4
307.09644	5.4
307.19031	4.2
309.11176	12.4
310.11926	4.5
311.08997	2.9
319.95264	2.8
321.11224	8.8
322.11880	3.1
325.10556	5.8
335.18567	6.1
339.08398	4.4
339.12091	4.1
341.13763	17.1
343.12225	3.0
347.13452	4.2
353.09927	6.5
353.13882	7.4
353.19647	12.6
354.20996	3.1
371.10925	5.4
371.15158	6.0
371.20203	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2062
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25871	1.6
53.03946	9.7
55.01857	5.7
55.02871	2.0
55.05504	9.8
57.03422	4.5
58.04215	3.1
61.79232	2.1
65.03915	2.7
67.05499	17.0
69.03419	10.2
69.07052	6.8
70.06584	3.6
71.04979	14.7
71.29039	3.6
73.02901	7.4
79.05493	24.6
81.03410	37.3
81.07047	33.1
83.04980	5.6
83.08611	2.0
84.08116	2.8
85.02888	6.7
85.06525	3.0
86.09707	3.2
87.04441	2.5
88.53651	2.1
89.06022	21.4
90.99734	2.1
91.05441	21.6
93.07034	56.6
95.04945	8.6
95.08600	15.5
95.14240	1.8
97.02841	2.2
97.06516	6.1
99.04443	37.3
101.05939	2.6
103.05457	4.2
105.07018	64.6
105.07715	3.6
107.04945	4.9
107.08581	62.1
108.08926	2.7
109.02867	23.3
109.06509	12.7
109.10137	4.6
111.04409	2.3
111.08054	3.2
115.05479	3.1
117.07018	11.3
119.08565	28.9
121.06512	28.9
121.10129	53.6
122.10485	3.3
123.04422	2.8
123.08061	5.5
123.11693	7.8
127.03902	5.2
128.07051	3.6
129.06976	2.8
130.07756	3.9
131.04836	3.0
131.08563	7.1
132.05727	2.7
133.08603	8.4
133.10107	18.6
135.08028	26.9
135.11688	19.1
137.06010	2.9
137.09602	7.9
137.13249	3.6
143.08531	4.4
145.04887	3.8
145.08972	3.8
145.10107	51.2
146.10458	2.0
147.08018	3.8
147.11678	18.2
149.05991	5.5
149.09586	18.2
149.13171	3.3
151.11098	2.2
159.08037	2.6
161.09569	2.0
163.11166	100.0
163.14767	2.8
164.11586	5.3
165.12723	18.1
167.07030	30.1
173.09604	6.9
175.07481	9.5
176.88208	2.2
177.11279	4.2
178.07748	2.3
179.10567	2.5
181.12207	21.5
187.07550	6.3
191.06995	4.2
191.10661	88.8
191.14255	10.6
192.10989	4.7
193.08542	2.4
209.11684	22.1
227.12752	22.0
243.31224	2.3
249.09001	3.0
299.05362	3.2
307.09601	2.4
309.11243	3.6
326.11554	2.4
335.14865	3.2
339.12326	2.6
341.13818	5.0
353.16119	16.3
371.17178	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	371.2062
Annotation	(6R,9S)-3-Oxo-alpha-ionol beta-D-glucoside
Peak:m/z	Relative Intensity
55.01866	1.7
55.05500	4.3
55.05849	1.6
57.03416	2.0
61.02909	2.4
67.05492	3.3
69.03451	7.9
69.07054	1.9
69.85143	3.9
69.85562	7.1
70.06579	4.8
71.04974	4.9
72.08143	3.4
75.20307	1.9
81.03389	4.1
81.07018	4.7
83.04961	7.3
83.08617	3.2
85.02898	13.7
85.06526	1.8
86.09718	2.4
87.04430	3.4
89.06026	70.3
89.53990	1.5
91.05830	2.6
93.07027	4.8
95.04961	100.0
95.08595	4.5
96.05290	2.0
97.02861	4.3
99.04446	25.6
103.03946	2.2
105.07051	3.6
107.07066	1.8
107.08571	5.8
109.02853	1.9
109.06532	1.7
109.10101	3.8
111.08041	2.9
119.08605	1.6
120.08144	2.1
121.10138	5.8
123.08073	2.7
123.11726	1.9
125.09621	4.7
127.03858	2.1
131.08569	3.8
133.08600	30.0
133.10094	8.4
135.08008	6.8
135.11684	3.0
137.02283	2.9
147.11763	1.6
149.09645	3.9
149.13193	2.6
151.11188	2.9
153.09090	34.8
162.36754	1.5
167.06989	2.7
167.14313	4.0
173.13272	7.0
177.11227	7.1
178.08418	1.7
191.14328	22.2
195.94847	1.6
209.15358	45.7
230.23450	1.8
310.04691	5.4
325.06949	2.9
325.29340	1.7
353.06485	10.7
371.07303	6.0
371.16550	6.6
371.20932	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	371.206
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.5
55.01861	4.4
55.05499	5.6
57.03427	3.9
57.07075	1.9
59.05014	1.1
61.02917	1.0
63.16340	1.2
65.03930	1.2
67.05492	10.3
68.05005	1.3
68.99783	2.2
69.03419	9.3
69.07057	6.8
69.65964	10.4
70.06580	27.7
71.04976	2.8
72.08145	16.5
73.02888	6.4
79.05479	10.0
81.03407	22.3
81.07042	14.5
82.06552	1.4
83.04962	3.6
83.06083	1.3
83.08632	1.5
84.04508	6.9
84.08144	11.9
85.02895	9.7
85.06525	3.6
86.09700	10.2
89.03909	1.9
89.06001	6.8
91.05433	5.1
91.05808	5.5
93.07036	21.6
94.06546	1.3
95.01292	1.4
95.04974	8.2
95.06080	1.3
95.08601	5.9
97.02881	3.5
97.06509	4.1
98.06039	1.4
98.09696	1.4
98.20653	1.6
99.04456	6.6
103.05464	2.2
104.22730	1.3
105.03415	1.7
105.07024	16.4
106.06573	1.4
107.04936	7.7
107.08588	24.1
108.08073	1.2
109.02861	13.3
109.06526	6.0
109.10159	3.1
110.07125	1.6
110.09689	1.2
111.04456	2.6
111.08053	2.1
113.06014	2.0
116.07053	1.8
117.06986	5.3
119.04945	3.0
119.08560	12.4
120.08125	2.5
120.08881	1.2
121.02872	1.8
121.06476	12.0
121.10136	15.7
123.04398	2.4
123.08064	4.3
123.11749	1.3
125.09618	3.6
127.03905	5.2
129.10219	1.5
130.04994	4.4
131.08548	9.5
133.06445	2.2
133.08572	4.9
133.10107	6.0
134.05946	1.5
135.04398	6.6
135.08035	13.8
135.11682	7.9
137.02324	19.9
137.05960	3.2
137.09639	1.7
139.07542	2.0
143.10684	1.6
144.10161	3.1
145.02840	1.7
145.04976	1.8
145.10112	13.8
147.04390	2.2
147.06487	1.7
147.08055	3.4
147.11667	27.5
149.09598	12.6
149.13190	10.7
151.07498	2.3
152.07077	2.9
152.14394	1.8
159.08060	1.2
161.02325	5.3
161.05988	2.5
161.09639	2.9
161.12871	4.9
163.03922	5.9
163.07451	2.6
163.11163	22.3
163.14804	1.6
165.01900	1.7
165.09029	1.2
167.07025	5.1
167.10666	3.0
169.08597	1.9
173.02330	2.3
173.09608	2.7
173.13277	10.2
175.07527	2.8
175.11464	1.5
176.01012	6.0
176.11908	2.5
177.01735	1.5
177.05411	1.5
179.03351	3.0
181.04921	6.5
181.12221	4.8
183.02892	1.9
183.14951	3.1
187.07567	2.3
189.01872	1.3
189.12764	2.2
191.03362	14.4
191.07051	1.9
191.10681	19.0
191.14288	83.6
192.14644	2.5
193.12228	1.4
194.02083	4.9
195.10190	4.7
209.04471	5.7
209.11790	6.8
209.15347	80.4
210.07594	1.3
210.15659	2.8
217.08646	1.5
219.02872	18.2
227.12729	6.6
237.03804	1.5
249.09354	2.8
268.07346	1.1
271.05798	1.3
272.06821	1.2
279.09988	1.2
283.05771	1.3
285.01010	2.6
285.07486	1.6
295.05972	2.4
296.06757	3.5
297.07541	14.5
297.13147	1.6
299.05508	12.8
300.06262	4.2
301.12741	1.9
307.06027	2.5
310.04697	40.8
311.05182	7.7
313.07025	8.5
321.11584	1.4
323.05563	6.0
324.06326	8.6
325.07004	19.5
325.10788	2.2
327.20471	1.4
335.05539	7.5
336.05716	1.5
343.07971	2.9
353.06525	100.0
353.16357	5.6
353.20206	2.2
354.06763	11.7
355.06915	2.6
371.02887	2.7
371.07599	55.6
371.11359	2.0
371.16708	40.8
371.26468	4.8
372.07828	5.9
372.17325	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1996
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21492	0.4
53.03938	0.5
55.01859	1.0
55.05505	3.9
56.05025	0.6
56.05778	0.4
56.96556	0.6
58.99585	2.2
61.01134	1.0
67.05495	5.7
68.05013	1.4
69.03404	0.7
69.07059	2.2
69.29931	0.4
70.06572	1.0
71.73192	0.4
72.08128	0.8
72.16010	0.4
74.00652	0.4
76.02211	2.5
76.03973	0.8
79.05479	2.8
80.04998	1.8
81.03407	0.7
81.06605	0.7
81.07046	7.2
82.06555	1.1
83.04954	0.7
83.08595	1.4
84.04488	1.4
84.08124	2.0
85.01114	3.0
85.02873	0.5
86.00644	23.4
87.02666	1.0
88.02206	3.0
88.03981	1.0
91.05417	1.0
93.07024	3.3
94.06553	1.9
95.04939	1.2
95.08601	8.5
96.08097	1.8
97.01086	0.7
97.02863	0.6
97.10150	0.7
100.02183	0.8
101.04207	0.6
105.07026	3.0
107.04940	0.5
107.08547	2.2
108.08094	5.4
109.06503	0.9
109.10137	3.5
110.09664	1.5
111.02665	0.8
111.04381	0.5
112.02205	1.0
112.03939	1.0
113.04214	5.9
114.05505	0.5
116.01642	1.7
117.06971	0.7
119.08578	1.3
120.08063	1.0
121.10146	1.1
122.09692	3.8
123.09141	0.7
125.09656	0.8
126.03716	0.5
127.05748	0.5
130.04945	0.6
130.06854	6.4
131.08557	1.1
133.10115	1.0
134.09650	1.0
136.11229	0.4
137.05969	2.0
139.05736	1.7
140.05264	1.3
143.02747	1.2
143.04495	1.8
144.01169	1.1
145.10124	0.8
147.06516	0.7
148.07550	1.4
148.11168	1.3
149.01144	0.6
149.07878	0.9
151.14774	0.5
153.34346	0.5
155.04497	1.6
156.08411	42.0
157.08684	0.9
159.11690	0.5
162.02199	1.1
166.06825	1.8
167.06979	1.5
167.14290	0.5
176.14304	1.7
176.62880	0.4
178.15895	5.0
186.10126	0.5
189.03262	4.2
197.09201	19.5
198.09473	1.0
209.09163	1.2
210.13089	1.6
215.04810	3.5
215.08365	0.9
216.07069	0.9
217.08560	0.7
223.10742	1.1
236.14583	3.6
236.16637	0.6
237.12311	2.4
238.16191	0.8
243.07970	48.0
244.08267	1.9
248.52692	0.5
261.16724	0.8
267.18826	0.9
269.09518	5.0
284.12811	2.4
301.12152	22.6
302.12466	1.0
311.17752	0.6
339.17334	16.3
340.17636	0.9
353.14175	0.8
371.19928	100.0
372.15305	0.9
372.20258	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	371.1696
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	7.7
53.79316	3.3
55.01858	9.0
55.05495	7.1
55.13609	3.4
56.96547	4.3
59.29689	2.9
61.02915	6.5
64.36441	3.2
64.67060	3.2
67.05500	19.0
69.03411	6.4
69.07073	6.2
69.98119	19.4
70.06578	6.7
71.04974	4.7
73.13539	2.9
79.05494	26.5
81.03414	35.1
81.07062	26.1
83.04980	7.0
83.08597	6.0
84.08118	7.6
85.06488	3.4
86.09668	3.3
91.05392	25.8
92.71769	3.1
93.07031	19.2
95.01315	7.4
95.04939	15.0
95.08598	12.3
101.05972	4.4
103.05454	5.8
105.07005	21.7
107.04946	25.4
107.08585	10.1
109.06493	7.8
109.10156	5.6
111.04412	10.3
115.05472	5.1
117.07000	7.3
119.08575	14.6
121.02866	6.3
121.06480	11.4
121.10109	10.3
122.03598	5.8
123.04417	11.8
123.11676	4.2
124.05196	7.4
125.02347	5.2
125.05975	4.2
128.06165	5.3
129.05470	5.8
129.06979	18.3
131.04909	11.6
131.08563	7.1
132.05721	6.4
133.06491	9.5
133.10120	6.6
135.04408	6.0
135.08046	3.4
135.11650	6.5
137.05978	28.0
141.06905	4.5
144.05707	4.8
145.06435	5.6
147.04387	9.9
147.06470	5.6
147.08072	6.4
147.11676	5.1
149.05937	4.4
149.13240	5.2
151.03876	5.2
151.49501	3.1
153.05405	5.6
156.05673	3.6
157.06471	4.9
158.07220	4.4
159.08025	7.7
159.11604	3.8
161.05980	13.6
163.03908	4.5
165.05441	7.0
167.03270	3.6
167.07028	100.0
167.08484	5.1
171.11685	3.7
172.05115	3.7
174.06706	6.6
175.07558	21.6
177.05478	11.2
177.09123	6.1
177.12656	3.7
181.04915	10.1
187.07524	24.4
189.09113	12.0
191.07007	8.4
191.08508	4.4
194.07349	3.5
195.13773	4.3
199.07576	7.8
201.09079	7.5
203.08502	6.0
205.06676	4.7
206.07240	7.2
207.13739	21.7
215.08574	7.3
217.06680	3.8
217.08636	10.7
218.07291	12.6
219.08002	11.0
220.08588	4.0
221.05984	4.7
221.07979	4.3
223.07576	4.6
231.08070	6.9
233.09521	7.8
234.06755	10.8
235.07466	12.2
236.08397	5.7
239.06950	6.6
240.07784	8.8
245.06125	4.0
246.06789	6.5
247.07477	11.8
249.09210	15.9
250.09825	4.6
251.07109	5.6
257.08081	3.9
261.09033	20.7
261.14786	14.9
262.06143	5.7
262.09537	3.8
263.06937	6.5
264.07727	3.2
265.08484	10.6
266.09268	7.2
276.07681	3.3
277.08517	34.7
278.09335	7.8
279.10049	10.8
280.40875	3.6
281.11673	11.1
281.91412	3.3
285.01129	4.1
285.07468	7.6
289.08575	11.5
289.14227	26.9
291.10126	8.1
293.08243	6.0
293.11649	13.0
294.08881	4.6
300.09842	17.5
306.08768	5.4
307.09579	9.4
307.15393	21.9
309.11185	31.3
321.11069	18.0
322.11847	5.9
325.10776	5.4
325.16443	12.5
326.11362	4.2
335.14841	17.1
339.08554	6.2
339.12256	34.3
341.13895	25.9
353.13565	15.5
371.11609	5.7
371.15063	45.1
372.15543	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	371.1698
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	10.0
55.01870	25.2
55.05507	25.5
56.16188	3.9
56.96524	4.3
57.03431	10.0
57.07042	5.8
61.02907	5.9
62.76855	3.7
65.03921	7.3
67.05498	78.8
69.03421	18.9
69.07056	28.2
70.06565	5.7
70.32226	19.9
71.04984	6.2
76.89525	4.0
79.05481	63.7
81.03413	62.5
81.07047	100.0
82.47739	4.1
83.01352	4.7
83.04962	18.8
83.08591	20.6
85.02892	10.1
85.06532	7.8
90.46102	4.6
91.05440	55.9
93.07029	71.0
95.01308	17.7
95.04947	44.0
95.08580	44.6
97.02884	9.3
97.06515	18.2
97.10185	4.3
99.08081	5.7
103.05448	10.6
105.03358	6.5
105.07021	47.6
107.04948	36.7
107.08588	39.0
109.02884	6.4
109.06509	8.9
109.10155	19.1
109.68184	3.9
111.04437	7.4
111.08055	11.2
112.02158	4.5
115.05408	10.4
117.07004	18.5
119.04906	5.7
119.08570	31.7
119.67561	4.3
121.02851	9.5
121.06489	31.0
121.10142	20.5
122.03641	7.0
123.04429	14.3
123.08056	12.4
125.02377	8.2
125.09628	11.6
127.03835	5.1
128.06207	9.0
129.06969	23.2
131.04936	16.2
131.08562	27.6
133.06476	14.1
133.10130	23.4
135.04402	7.0
135.08047	14.1
135.11681	19.0
137.02428	4.6
137.05959	56.2
137.09612	7.9
139.03946	7.6
139.07593	4.5
141.01799	11.7
141.07001	6.3
143.08531	10.7
145.06488	16.7
145.10117	18.3
146.03656	5.7
147.04395	17.5
147.08035	10.4
147.11684	16.8
149.05991	12.0
149.09564	6.3
149.13226	29.1
151.03914	11.1
151.07565	10.2
151.11177	7.1
155.08530	5.4
156.05658	10.5
157.06454	10.8
157.10129	8.1
159.08047	15.8
159.11739	24.1
161.04649	4.3
161.06010	14.7
161.09592	5.7
161.13228	11.3
163.03856	13.7
163.07487	9.0
163.11156	5.5
163.14742	5.7
165.05563	5.4
165.07031	4.8
165.09157	5.0
165.12646	4.6
167.07018	59.4
169.01752	4.2
169.10094	8.6
169.12225	5.7
171.11674	15.0
173.05940	6.3
175.07547	14.4
175.11142	5.4
177.05481	11.8
177.12717	27.1
179.06953	5.8
185.05730	4.5
187.07486	14.7
189.09026	5.1
189.12764	6.9
191.07054	10.1
191.10725	6.2
193.08585	5.7
193.12253	4.8
195.13750	18.1
197.13237	5.2
201.08925	4.8
203.08630	4.8
207.13809	35.0
217.06619	6.5
217.08577	30.2
217.12079	6.3
218.07233	8.8
219.08144	7.3
231.07948	5.4
233.09549	7.5
234.06731	5.4
239.06953	9.4
241.08691	8.1
243.13994	7.6
247.07397	7.9
247.09599	13.8
249.09088	8.6
250.09496	5.7
261.09064	14.3
261.14819	40.1
263.07013	10.2
265.08521	5.0
266.06351	4.5
266.09390	5.9
269.08060	6.2
271.05856	5.0
271.13318	9.7
273.14838	6.5
277.08658	13.3
278.09348	12.7
279.15775	5.9
281.11642	8.8
285.07458	22.2
289.08774	7.5
289.14349	69.7
291.16058	6.1
293.07910	6.0
293.11606	8.9
299.12646	8.3
300.09927	25.1
301.10718	6.5
306.08878	7.6
307.09869	5.3
307.15347	67.8
307.18570	5.5
309.11087	9.7
313.10565	8.5
317.13724	9.4
321.11090	18.8
323.09219	8.3
325.16446	29.8
326.11377	11.9
335.14859	24.6
339.11996	12.3
341.14050	8.3
353.10248	5.5
353.14072	22.5
355.06741	5.2
371.15302	33.0
371.26117	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	371.1488
Annotation	Fragransol D
Peak:m/z	Relative Intensity
53.03943	1.4
55.01862	1.9
55.05507	2.3
55.62135	1.3
57.03438	1.3
57.07086	1.6
63.54713	1.3
67.05491	12.0
69.03433	2.9
69.07047	1.9
69.48315	8.8
69.48743	3.9
70.06584	3.2
71.04980	2.3
73.04752	1.5
77.27573	1.2
78.04691	3.4
79.05489	15.0
81.03391	3.3
81.07047	23.4
83.04976	1.8
84.08134	1.7
86.09708	2.1
89.68635	1.2
91.05418	13.2
93.07039	9.3
95.04956	3.9
95.08595	13.4
97.06517	2.3
98.97598	1.6
99.04446	3.5
103.05466	4.1
105.07024	16.4
107.04932	9.6
107.08606	8.8
109.02866	3.1
109.06534	3.7
109.10182	2.4
111.04425	2.3
111.08041	1.9
115.05455	3.6
117.07012	3.6
118.04160	1.5
119.08575	12.0
121.06470	4.9
121.10136	13.3
122.03628	1.6
123.04430	7.2
123.11689	8.4
124.05167	2.4
128.06213	5.2
129.07002	11.4
130.04143	1.7
131.04918	11.3
131.08607	2.7
132.05698	5.7
133.06479	2.4
133.10149	3.1
135.08081	3.5
135.11656	2.0
137.05959	10.0
137.13251	4.4
145.06471	4.0
145.10124	5.9
147.04443	2.2
147.08057	7.1
147.11664	14.6
149.05986	1.8
149.09598	2.4
151.04095	1.8
151.07585	2.3
152.04716	2.0
153.05461	2.0
153.67363	1.4
155.04973	2.1
157.06485	3.3
159.08054	7.7
160.05193	3.4
161.05975	5.7
162.06627	1.7
163.07620	2.3
163.11206	11.0
165.12746	18.7
167.07033	100.0
168.07338	2.0
173.09573	1.7
174.06699	1.7
175.07544	33.2
176.04671	2.8
177.05486	2.0
177.09149	2.2
178.07800	3.1
178.15393	1.4
179.07021	1.7
179.08479	1.6
181.12169	1.5
183.06525	1.5
185.05954	1.6
187.07512	22.6
189.07001	3.2
189.09100	3.7
190.07739	2.5
191.07048	15.3
191.08612	3.0
191.10689	5.9
193.08635	1.5
199.07526	4.5
202.07822	2.8
203.08546	4.0
203.17863	1.7
205.06451	2.6
206.07237	2.2
207.08102	2.7
209.09837	1.7
209.11751	2.4
215.08598	1.7
217.08569	4.3
218.07182	2.6
219.08000	5.8
221.09619	6.4
223.07533	1.8
227.12575	1.9
231.03825	1.3
231.08081	3.1
233.09622	3.7
234.06729	3.5
235.07530	4.7
245.05879	1.4
246.06799	2.4
247.07539	2.9
248.08258	2.1
249.09090	7.7
250.06522	2.1
250.09615	2.3
251.07008	3.0
251.10619	1.7
260.08215	1.7
261.09030	6.3
262.06320	1.8
263.07071	3.7
265.08466	2.3
266.09296	1.8
277.08652	6.8
278.09241	3.6
279.06525	2.1
279.10010	3.6
280.07025	1.8
281.11725	10.4
285.01086	2.1
285.07370	1.6
289.08539	4.3
293.11716	1.5
295.09644	2.7
307.09735	14.6
308.10413	3.2
309.07925	2.1
309.11182	13.4
311.09277	1.6
311.12607	2.4
321.11087	8.3
326.11496	3.5
339.12250	19.6
340.12704	2.3
341.13867	15.4
353.13593	8.8
371.14761	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	371.1487
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67764	2.3
55.05489	9.5
57.03434	4.1
57.07082	2.7
59.04982	5.7
65.03919	3.9
67.05499	78.7
69.07060	5.8
70.06573	3.1
70.80869	2.1
71.04973	7.2
71.28963	5.3
74.37617	2.4
79.05472	16.3
81.07043	29.1
83.08611	10.3
85.06537	6.3
87.00834	5.6
91.05480	15.4
93.07042	15.9
94.04182	3.1
95.04921	3.9
95.08595	33.0
98.04941	2.5
105.07003	7.2
107.04947	15.8
107.08570	6.5
109.06519	5.4
109.10149	87.4
111.04358	3.7
111.08064	8.6
113.88475	2.6
115.05419	5.6
116.06113	2.5
117.07024	2.8
119.07796	2.3
119.08542	12.5
121.10138	14.4
122.03631	9.4
124.05151	2.4
125.05964	4.6
128.06209	6.9
129.05482	3.3
129.07025	12.0
131.04945	4.7
131.08553	10.8
133.10112	3.3
135.11696	3.1
137.05968	79.4
137.09593	3.7
141.06972	4.1
144.05701	9.3
145.06442	4.9
147.04385	4.6
147.06519	2.6
147.11703	3.8
149.05942	5.2
149.13190	2.9
155.10620	5.5
156.05685	16.9
157.06448	8.5
159.08049	17.1
160.05246	5.6
161.05928	5.0
161.13220	2.3
165.05531	2.9
165.06888	2.9
167.07045	43.7
169.06505	3.4
172.05220	5.4
173.11726	42.5
174.06686	5.6
175.07520	15.9
177.05385	3.7
178.07707	3.9
179.07007	3.2
179.08435	2.6
181.06540	2.8
184.05029	2.8
186.06743	3.7
187.07552	19.6
189.06958	3.6
189.09134	8.2
190.07851	4.4
191.07033	2.9
193.59636	2.5
202.06223	2.8
202.69957	2.8
203.08549	6.0
203.17929	9.0
205.06570	4.4
205.08542	6.1
206.07251	6.5
207.08090	5.9
211.07538	4.5
213.51691	2.3
215.06870	4.5
215.08649	4.2
217.08589	58.9
218.07277	10.1
219.07986	9.5
219.10089	4.7
221.09589	8.6
221.19017	11.4
224.04614	2.9
226.06224	4.6
229.08687	3.2
231.07959	8.6
232.08824	7.9
233.09572	15.5
234.06752	7.3
235.07471	10.3
237.09091	4.6
238.09926	3.8
239.06966	14.3
239.20035	100.0
241.08611	14.0
242.05673	4.0
246.06732	3.7
247.07542	4.6
247.09650	20.1
248.08237	4.8
249.09070	22.2
250.09686	2.9
250.83395	2.4
251.07249	6.2
251.10527	3.3
252.07735	7.4
256.03696	3.2
257.08057	5.2
259.07544	2.7
260.08347	3.6
261.09082	22.7
262.06216	2.6
262.09793	3.6
263.07144	11.9
263.10263	2.4
264.07822	3.6
265.08508	6.8
266.09338	5.7
267.10022	3.3
269.08014	5.9
271.06000	6.1
275.06937	3.6
276.07852	3.5
277.08621	21.0
278.09247	14.0
279.06485	3.7
280.07281	5.0
281.11646	7.5
283.09818	5.4
285.07568	41.3
285.20560	8.8
289.08563	6.9
290.09079	2.7
291.06598	3.6
292.10794	3.7
293.08105	7.5
293.11694	18.5
294.08719	4.7
295.09583	3.5
300.09918	53.7
301.10703	13.2
306.08768	8.8
307.09576	5.3
307.18991	3.7
309.11166	19.5
311.08521	3.3
313.10806	15.1
321.11234	29.8
322.11804	4.8
323.09143	7.3
326.11325	15.5
335.18420	3.4
338.11551	7.8
341.13770	13.8
353.13770	44.8
353.18439	4.2
353.19873	4.2
354.14111	4.6
355.07205	3.3
371.14917	25.7
371.20563	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	371.1486
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	2.3
55.05484	2.8
55.06710	1.7
65.03909	2.3
65.38531	1.8
67.05476	3.6
69.03399	3.1
69.60610	3.6
69.61021	10.7
70.06588	8.1
71.04987	2.9
79.05489	12.5
81.03374	2.3
81.07027	6.1
83.04952	2.0
83.08615	2.0
84.08134	2.3
85.02901	1.8
86.09684	6.3
89.03928	1.6
91.05376	12.1
93.07024	3.1
94.04182	3.4
95.04966	5.0
95.08573	3.9
97.02845	2.4
98.20679	2.4
101.06001	3.0
103.05442	5.9
105.07040	4.2
107.04943	21.5
107.08535	2.2
109.06492	5.6
110.07150	2.6
111.04487	1.9
115.05479	8.0
116.06250	2.0
117.06998	3.2
119.04910	2.1
119.08521	2.9
121.06511	2.4
122.03658	8.7
123.04393	3.0
123.11649	2.0
124.05154	4.0
125.05981	2.9
128.06189	7.4
128.64366	1.8
129.06999	15.9
131.04939	7.8
131.08537	8.0
132.05702	1.8
133.02808	2.7
133.06514	3.4
135.04396	2.3
137.05965	100.0
138.06314	3.8
141.06964	5.2
144.05710	8.7
145.06483	5.7
147.04384	2.4
147.06534	3.3
149.05974	7.7
151.03879	3.6
151.07465	4.4
152.04614	3.1
153.05476	2.4
156.05695	24.8
157.06485	8.4
158.07259	3.7
158.09621	1.8
159.08028	19.0
160.05161	3.0
161.05966	8.1
163.03899	2.8
163.07579	3.3
165.05542	2.5
165.06985	2.5
167.07028	69.0
169.06438	3.2
171.08047	1.9
172.05167	5.2
173.05962	3.9
174.06712	9.0
175.07503	18.4
177.05487	11.8
178.07747	3.4
179.06995	2.4
179.08517	2.6
180.05699	2.1
181.04944	4.3
181.06453	4.4
181.08585	3.0
184.05191	3.8
185.05901	2.6
186.06691	5.1
187.07521	29.2
188.08031	2.2
189.05473	2.0
189.07016	6.0
189.09067	12.9
190.06242	1.8
190.07806	4.1
191.06984	4.6
191.08580	2.7
193.10135	2.7
196.05215	1.7
197.06029	1.6
199.07500	3.4
201.09102	4.0
202.06212	7.8
202.07788	3.5
203.06841	3.2
203.08530	9.4
204.09375	2.6
205.06548	3.6
205.08533	5.8
205.10193	2.8
206.07222	7.6
207.08061	5.1
209.05927	3.8
210.06779	2.1
211.07458	6.5
215.06725	3.6
215.08562	6.7
217.06653	3.4
217.08568	74.4
218.07236	12.3
218.08995	2.2
219.08018	8.7
219.10080	3.4
220.08861	2.4
221.05991	2.6
221.09654	10.5
222.06677	3.1
223.07498	4.7
224.04733	4.9
225.09137	1.7
226.06104	3.8
227.06888	2.4
231.08084	12.8
232.08881	4.6
233.05954	2.8
233.09563	15.5
234.06755	14.0
235.07547	14.6
236.08154	2.2
237.05318	4.7
238.09895	2.2
239.07014	22.5
240.07790	2.2
241.08575	16.2
242.05637	6.3
245.05878	1.9
246.06763	7.1
247.07463	9.2
247.09647	24.5
248.08221	8.7
249.09062	26.3
250.06102	2.5
250.09711	6.2
251.06964	8.0
251.10742	1.9
252.07788	10.7
256.03580	3.1
257.08078	6.0
260.08279	7.3
261.09106	32.7
262.06250	5.1
262.09769	5.3
263.07022	17.2
263.10587	2.9
264.07721	4.8
265.08481	4.8
266.09183	7.7
267.10150	3.2
269.08005	10.5
271.05804	8.9
275.06931	2.7
276.07687	3.4
277.08585	26.0
278.06183	3.0
278.09323	20.9
279.06717	3.2
279.10037	5.8
280.07071	8.1
281.07910	2.5
281.11661	9.1
283.09659	3.1
285.01077	2.4
285.07556	54.6
286.08115	4.5
289.08557	12.1
290.09280	3.6
291.06522	4.3
291.10205	6.5
292.10760	3.9
293.08081	7.1
293.11661	24.5
294.08832	3.0
295.09598	5.2
297.10880	1.8
298.08356	4.0
298.23383	2.2
300.06516	2.5
300.09930	50.6
301.10623	20.2
303.10028	2.4
305.07819	1.9
306.08859	9.9
307.09598	11.0
309.07813	3.1
309.11084	22.2
311.09180	4.0
311.12659	3.3
313.10660	15.7
314.11127	1.9
321.11166	41.5
322.11908	6.4
323.09042	7.8
326.11490	20.2
327.12067	3.9
338.11295	8.1
339.12106	4.9
341.13803	12.3
353.09525	3.3
353.13803	64.5
354.14200	3.1
355.06750	3.0
371.10999	2.1
371.14920	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	371.1486
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.2
55.01849	4.8
55.05505	3.7
57.07040	1.9
65.06828	1.9
66.71877	1.5
67.05495	7.3
70.06566	4.7
70.28906	6.3
71.04979	2.0
71.17088	1.7
78.04669	1.8
79.05489	13.6
81.07059	11.2
91.05405	10.4
93.03428	1.8
93.07011	3.1
94.04154	4.3
95.04933	4.4
95.08589	5.7
101.06013	3.7
103.05431	2.7
105.07000	5.6
107.04937	20.5
109.06511	4.0
109.10141	4.5
111.04431	5.8
115.05451	6.2
116.06242	2.4
119.04920	2.6
119.08528	2.0
121.06490	3.2
121.10159	2.4
122.03629	10.2
123.04356	3.8
124.05202	2.8
125.05973	4.5
128.06213	6.4
129.05458	2.7
129.06967	12.1
131.04926	5.0
131.08545	14.3
133.06473	3.8
137.05954	100.0
141.06999	5.7
144.05688	9.9
145.06461	7.2
145.10120	2.3
147.08023	2.2
149.05989	3.1
151.03816	3.2
151.07510	6.2
152.04672	3.7
153.05441	2.7
153.07021	2.0
156.05667	22.2
157.06462	7.7
158.07219	3.6
159.08069	18.1
160.05165	4.9
161.05965	6.8
163.07516	2.6
165.05472	4.0
165.06937	3.7
167.07028	58.3
168.07280	2.7
169.06448	6.2
172.05161	6.1
173.05913	2.9
174.06760	6.7
175.07498	16.6
177.05460	5.8
178.07758	5.1
179.08525	2.4
181.04993	2.6
181.06410	4.1
184.05208	3.3
185.06023	2.2
186.06693	4.0
186.11644	1.9
187.07524	24.2
188.07924	2.0
189.05453	3.3
189.06989	7.1
189.09052	6.7
190.07770	5.6
191.07013	3.2
191.08606	3.2
193.10065	2.4
195.08063	2.5
197.05821	2.5
199.07549	4.7
201.05418	1.9
201.09148	2.6
202.06189	7.1
202.07777	4.1
203.06863	2.6
203.08592	11.3
204.09392	2.3
205.06525	4.2
205.08578	4.9
205.10225	3.2
206.07231	6.2
207.08070	6.4
209.06007	3.0
210.06680	3.0
211.07535	5.7
212.07970	2.1
214.06129	2.5
215.06941	5.2
215.08592	6.3
217.06610	3.9
217.08566	69.3
218.07179	12.3
219.08012	12.4
219.10165	5.2
220.08781	1.7
221.09644	8.8
221.18945	2.3
222.06735	3.1
223.07524	7.3
224.04707	4.4
224.18875	1.9
225.05394	2.4
226.06204	4.9
227.07071	3.2
227.18076	1.8
229.08542	1.9
231.07909	8.3
232.08812	6.2
233.05936	2.4
233.09566	14.4
234.06789	13.3
235.07582	11.5
237.05394	4.5
238.09839	3.1
239.06999	27.7
239.20067	6.0
241.08585	16.0
242.05771	4.7
243.08157	1.9
245.06042	2.3
246.06775	6.1
247.07422	5.6
247.09624	22.0
248.08308	6.0
249.09071	20.5
250.06355	3.9
250.09764	6.1
251.07092	6.4
251.10634	2.0
252.07736	10.1
253.08545	3.1
255.06526	5.5
255.10039	1.8
256.07388	3.1
257.08105	7.2
259.07635	2.9
260.08237	5.3
261.09100	25.8
262.06247	5.3
262.09708	6.1
263.07028	15.7
263.10596	4.9
264.07672	3.6
265.08557	8.2
266.09253	7.0
267.06549	3.0
267.09866	3.2
269.08099	10.2
271.05933	7.2
274.06296	2.5
276.07779	2.8
277.08557	20.8
278.09348	13.9
279.06442	7.3
279.09619	3.4
280.07285	8.3
281.08417	2.1
281.11566	8.5
283.09625	4.0
285.00842	2.5
285.07529	51.0
286.08118	6.2
289.08521	11.6
290.09351	4.1
291.06583	4.5
291.10129	5.8
292.07416	4.6
292.10657	2.8
293.08047	11.7
293.11679	23.2
294.08762	6.1
295.09607	7.6
300.09872	56.1
301.10626	16.5
306.08734	8.5
307.09586	5.8
308.06839	2.2
309.11139	21.1
311.09128	5.3
311.12781	2.2
313.10681	14.8
321.07684	1.5
321.11209	30.7
322.08212	3.6
322.11893	5.3
323.09116	19.0
324.08853	2.2
325.10623	3.2
326.11450	15.9
338.11411	7.0
339.12219	5.4
341.10077	9.5
341.13797	13.6
343.15540	2.5
353.09543	2.8
353.13770	55.8
354.14038	2.7
371.11575	2.7
371.14981	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	371.1487
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.3
54.48799	1.7
55.01862	4.7
57.07076	1.9
65.03923	3.8
67.05480	8.4
69.03422	9.9
69.07046	2.9
69.52379	13.8
69.52791	3.8
70.06581	5.4
78.04684	3.1
79.05482	17.7
79.10805	1.6
81.03388	6.2
81.07049	12.5
83.04961	5.3
84.08124	2.2
86.09714	2.2
91.05478	12.3
91.05872	2.6
93.07047	9.3
94.04160	3.2
95.04961	6.9
95.08594	4.7
97.02872	2.0
101.05986	2.1
103.05460	6.9
105.07017	8.6
106.63172	1.8
107.04936	16.4
107.08579	2.9
109.06506	3.1
111.04426	4.4
115.05443	8.3
116.06201	3.6
117.07049	4.2
119.04897	2.5
119.08591	8.1
121.06505	4.6
121.10130	2.2
122.03668	3.4
123.04427	9.9
124.05180	3.0
125.05965	2.9
128.06230	5.7
129.05461	2.5
129.07007	15.7
131.04906	5.9
131.08568	8.9
132.05673	2.6
133.06490	6.1
133.10173	1.7
135.04370	3.8
135.11659	2.2
137.05956	48.5
137.09608	2.6
141.01814	2.2
141.07001	4.0
143.04811	2.0
144.05666	7.1
145.06488	4.5
147.04367	2.5
147.08060	6.4
149.13229	2.6
151.03860	5.2
151.07521	4.4
152.04675	3.1
153.05490	4.8
153.06856	1.8
156.05670	11.0
157.06487	4.7
159.08055	12.6
159.11674	3.1
160.05193	3.6
161.05965	12.8
163.03839	2.9
163.07449	3.1
165.06973	2.6
165.09105	4.5
167.05569	4.8
167.07019	100.0
168.05713	2.4
169.06468	3.6
171.08057	2.5
172.05240	2.7
173.05971	3.9
174.06735	3.5
175.07526	28.5
177.05467	6.7
177.12799	3.1
178.07826	3.2
179.07109	2.7
179.08478	2.3
181.06441	2.5
185.05783	2.2
187.07516	23.8
189.07071	3.4
189.08995	4.2
190.07797	3.9
191.07031	6.0
194.07330	2.7
196.05266	2.3
197.05974	2.0
199.07555	7.4
201.09105	3.4
202.06071	4.7
202.07755	4.4
203.08560	7.1
205.06599	3.8
205.08411	2.6
205.10144	2.5
206.07271	5.3
207.08173	4.4
207.10153	2.6
207.13760	3.4
211.07590	2.6
215.08614	3.6
217.06601	2.7
217.08562	28.0
218.07277	10.4
218.08998	2.1
219.08002	7.0
219.09937	2.3
221.09607	7.6
222.06674	2.2
223.07365	2.6
226.06209	3.8
231.08055	6.0
232.08797	3.0
233.09615	10.5
234.06793	6.3
235.07483	7.2
238.09906	3.1
239.06960	10.0
240.07730	6.5
241.08554	6.5
243.08229	2.1
246.06824	4.7
247.07562	3.9
247.09668	12.6
248.08147	4.7
249.09056	15.6
250.06316	2.0
250.09673	3.2
251.06915	4.9
252.07744	5.6
257.08020	5.6
259.07578	3.5
260.08441	3.4
261.09045	15.7
262.06229	2.3
263.06995	9.3
264.07813	2.9
265.08612	4.0
266.09256	4.3
268.97720	2.6
269.07938	4.7
271.05853	3.7
276.07651	3.6
277.08597	11.3
278.09375	9.0
279.10120	4.7
280.07196	3.6
281.08691	1.9
281.11639	11.1
283.09387	2.5
285.00879	3.6
285.07538	29.3
286.08160	3.0
289.08621	7.5
289.14194	4.8
290.09314	2.7
291.10059	2.3
293.08322	3.2
293.11655	11.7
294.08698	3.3
295.09494	3.5
300.09903	34.7
301.10727	9.6
306.08884	5.1
307.09464	5.0
307.15353	5.2
308.06720	2.3
308.10083	2.6
309.11139	19.4
310.11868	2.7
313.10632	5.5
321.11176	23.8
322.11783	5.4
323.08994	3.6
326.11484	11.8
338.11438	5.1
339.12311	5.2
341.13846	18.7
353.13736	29.7
371.15060	15.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1447
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66221	0.6
52.78519	0.6
53.03931	1.9
53.26597	0.5
55.01858	1.2
56.96542	1.3
57.03423	1.3
60.04492	0.8
61.02909	1.9
62.36877	0.6
64.54755	0.6
65.61887	0.6
69.03423	5.2
70.06587	6.3
70.45920	1.2
70.46306	1.4
72.08141	1.2
73.02913	1.6
73.04747	6.6
75.02708	0.9
75.49059	0.6
76.03994	8.5
79.02170	0.7
79.05473	2.5
81.03400	5.1
82.04201	0.9
83.04940	0.8
84.04498	4.7
84.08121	3.5
85.02899	8.8
86.09695	1.5
86.99024	1.1
87.04436	1.3
91.03936	0.9
91.05791	40.8
92.05694	0.8
93.03691	1.5
97.02876	6.0
98.97578	0.6
101.06018	1.2
105.03365	0.7
106.06541	6.3
107.04948	6.1
109.02871	2.5
109.06831	0.8
110.07146	2.8
111.04465	0.9
114.07352	2.7
116.01640	3.0
116.07059	0.9
117.05737	4.5
118.06532	24.1
119.01846	0.7
119.06842	0.9
123.04411	1.2
127.03921	1.5
129.10211	1.3
130.04985	2.9
132.06837	4.1
132.95801	1.0
134.05991	1.2
135.08018	0.7
136.06171	7.7
137.05948	2.0
144.01076	1.0
145.05006	1.2
145.07590	25.1
145.08733	1.4
146.05995	1.3
147.04437	1.1
147.06526	1.5
147.07649	0.7
148.45995	0.7
153.04041	2.2
156.07753	0.9
162.02197	2.1
163.08665	1.1
164.07047	2.1
167.05548	1.0
169.03506	1.1
179.03528	1.1
191.08127	12.0
192.06512	0.8
209.09189	100.0
210.09540	2.5
212.07359	1.7
239.04083	1.4
241.55351	0.7
242.04715	1.1
251.04228	0.7
257.07498	2.0
266.99997	2.0
268.97803	8.3
283.02997	0.9
285.00903	13.1
286.00916	1.4
299.06088	2.6
303.01932	4.3
306.27774	0.8
311.06021	1.6
355.06924	10.5
356.06888	1.1
371.09338	2.5
371.14471	21.3
371.23370	1.6
372.14401	0.9
373.08112	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	371.1447
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66221	0.6
52.78519	0.6
53.03931	1.9
53.26597	0.5
55.01858	1.2
56.96542	1.3
57.03423	1.3
60.04492	0.8
61.02909	1.9
62.36877	0.6
64.54755	0.6
65.61887	0.6
69.03423	5.2
70.06587	6.3
70.45920	1.2
70.46306	1.4
72.08141	1.2
73.02913	1.6
73.04747	6.6
75.02708	0.9
75.49059	0.6
76.03994	8.5
79.02170	0.7
79.05473	2.5
81.03400	5.1
82.04201	0.9
83.04940	0.8
84.04498	4.7
84.08121	3.5
85.02899	8.8
86.09695	1.5
86.99024	1.1
87.04436	1.3
91.03936	0.9
91.05791	40.8
92.05694	0.8
93.03691	1.5
97.02876	6.0
98.97578	0.6
101.06018	1.2
105.03365	0.7
106.06541	6.3
107.04948	6.1
109.02871	2.5
109.06831	0.8
110.07146	2.8
111.04465	0.9
114.07352	2.7
116.01640	3.0
116.07059	0.9
117.05737	4.5
118.06532	24.1
119.01846	0.7
119.06842	0.9
123.04411	1.2
127.03921	1.5
129.10211	1.3
130.04985	2.9
132.06837	4.1
132.95801	1.0
134.05991	1.2
135.08018	0.7
136.06171	7.7
137.05948	2.0
144.01076	1.0
145.05006	1.2
145.07590	25.1
145.08733	1.4
146.05995	1.3
147.04437	1.1
147.06526	1.5
147.07649	0.7
148.45995	0.7
153.04041	2.2
156.07753	0.9
162.02197	2.1
163.08665	1.1
164.07047	2.1
167.05548	1.0
169.03506	1.1
179.03528	1.1
191.08127	12.0
192.06512	0.8
209.09189	100.0
210.09540	2.5
212.07359	1.7
239.04083	1.4
241.55351	0.7
242.04715	1.1
251.04228	0.7
257.07498	2.0
266.99997	2.0
268.97803	8.3
283.02997	0.9
285.00903	13.1
286.00916	1.4
299.06088	2.6
303.01932	4.3
306.27774	0.8
311.06021	1.6
355.06924	10.5
356.06888	1.1
371.09338	2.5
371.14471	21.3
371.23370	1.6
372.14401	0.9
373.08112	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	371.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.2
55.05497	12.6
56.05033	2.7
57.07053	3.2
60.04509	3.3
62.49458	1.2
67.05474	1.5
69.03429	3.8
69.07056	6.0
70.02927	1.4
70.06584	35.3
71.04977	2.7
71.74342	1.3
71.74758	1.5
72.08142	17.8
73.04742	4.0
76.71378	1.2
79.05487	2.9
81.03419	4.3
82.06556	3.2
83.04985	4.9
83.08607	5.3
83.36077	1.3
84.04495	9.9
84.08134	15.8
85.02899	2.3
86.09695	28.2
88.03999	2.1
91.05848	12.9
93.07028	3.5
98.09682	4.1
100.07597	15.5
100.11244	24.2
102.05486	2.0
103.05461	3.0
105.07005	3.5
106.06538	2.4
107.04954	3.5
107.08581	5.0
109.02888	2.6
110.07152	7.4
111.04438	15.5
112.07590	2.6
112.08713	2.0
115.08661	2.7
116.07075	3.6
119.08547	2.4
120.08102	4.3
121.06519	2.7
124.05054	1.7
126.09160	3.0
127.03908	2.1
128.04959	1.4
128.07071	13.7
129.05489	2.2
129.06569	1.8
129.10207	7.5
131.08534	3.9
132.04405	2.0
135.08067	1.4
137.05908	2.4
140.07069	4.1
143.08145	1.5
143.11786	4.9
145.04976	1.5
145.06068	1.7
145.10132	3.7
146.05992	100.0
147.06409	4.7
147.08061	1.5
149.09607	8.8
153.01872	1.4
153.05452	1.3
163.11090	1.6
167.10805	1.7
173.09508	1.9
174.05508	20.3
178.05884	1.4
182.15382	33.4
182.73984	1.4
183.11261	1.4
191.10652	3.6
191.14293	1.3
192.06529	35.5
206.90233	1.4
209.07994	2.1
209.11674	2.9
209.16634	2.4
210.14857	39.5
222.12459	1.4
227.17534	9.7
228.15974	3.6
239.14966	3.7
244.20146	8.9
268.97891	2.2
285.00986	7.7
303.02173	1.6
308.93594	1.3
310.04645	2.3
336.22754	4.5
337.21146	16.7
353.06424	6.1
353.16241	1.6
354.23859	22.3
355.06995	5.1
371.07840	2.5
371.16705	8.6
371.26599	9.9
372.07828	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1123
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62188	4.4
55.01871	37.5
55.05506	8.9
57.55053	5.6
65.03935	15.8
67.05505	30.4
70.03059	5.8
70.06591	13.4
71.05004	10.3
71.29267	13.2
72.08146	5.8
73.04749	6.4
75.50253	5.4
79.05483	25.5
79.82750	4.9
81.03425	7.1
81.07048	30.4
84.08146	6.8
84.52966	5.6
85.06576	6.9
85.78613	4.6
86.09687	6.6
91.05452	22.6
91.05877	12.4
93.07032	15.3
95.04977	8.2
95.08588	37.4
103.05463	13.1
105.07024	19.6
107.04929	18.1
107.08578	9.7
109.10146	21.7
111.04418	27.2
115.05437	15.7
117.07030	8.3
119.08585	15.0
121.10147	19.7
123.04483	12.1
124.05180	10.0
128.06209	6.1
129.05460	9.4
129.07030	11.7
131.04961	11.5
131.08572	6.8
132.05681	6.1
133.06500	15.9
133.10149	7.3
135.11684	10.6
137.06009	30.9
137.09561	6.1
139.03891	10.5
141.24054	5.6
144.05704	8.0
145.06477	8.3
147.04448	5.7
147.06488	10.6
147.08066	10.5
147.11682	8.6
151.03879	11.8
153.05469	5.8
153.06934	9.5
156.05708	7.0
159.08025	18.0
160.05205	7.0
161.05972	25.0
165.07005	20.7
167.03450	9.6
167.07030	94.6
167.08395	5.6
169.06494	6.8
170.92964	5.4
173.05983	6.5
173.80476	5.5
174.06702	7.2
175.07533	36.4
177.06956	8.1
178.07779	12.3
181.06512	17.6
187.07530	26.7
189.05457	21.8
189.07016	9.1
191.06906	11.1
191.08578	9.2
192.05679	7.6
193.06538	10.3
194.07248	14.2
195.08049	8.5
199.07487	16.2
201.05412	11.7
202.06137	9.7
203.17987	11.0
205.06493	22.3
205.08243	6.7
206.07318	8.4
207.08063	10.1
209.06004	15.7
210.06715	11.3
211.07439	9.6
215.07028	8.7
217.08582	11.6
218.07242	7.6
219.08083	18.1
220.05347	9.9
221.05966	25.9
221.09476	5.9
222.06726	16.9
223.07495	12.2
224.08307	10.0
225.09102	10.5
226.06091	5.7
231.08104	6.9
233.06055	10.7
234.06696	13.2
235.07512	24.8
236.08537	8.5
237.05467	18.2
237.09067	19.7
238.06232	13.9
239.07068	23.4
239.20100	11.1
240.07741	7.6
241.08681	9.7
246.06595	6.7
249.05469	14.9
249.09140	20.7
250.06094	17.2
251.07068	21.2
252.07782	14.3
253.08644	23.0
255.06656	9.7
255.10181	8.7
261.05466	9.5
261.09082	10.0
262.06232	8.5
263.07010	35.0
264.07657	8.8
265.04984	10.7
265.08585	30.4
266.05560	8.0
267.06668	12.0
267.09869	5.7
268.97681	9.7
276.07623	6.3
277.05096	9.3
277.08502	22.8
278.05743	8.2
278.09235	6.3
279.06537	20.8
279.09686	6.9
280.07318	19.3
281.08090	19.1
281.11536	9.3
282.08557	7.5
283.06189	11.4
283.09698	14.9
285.00851	9.1
285.07687	15.2
289.08475	10.8
292.07138	9.1
293.08057	60.8
293.11319	11.0
295.06256	10.0
295.09653	29.9
297.07617	14.9
297.11163	5.5
300.09906	18.6
307.09518	12.1
308.06726	10.3
309.07535	24.9
309.11243	18.0
310.08215	8.5
313.10751	26.0
321.07504	8.5
321.10992	14.2
322.08350	43.8
323.09113	89.3
325.10791	21.4
339.08636	14.7
339.12210	8.4
341.10190	100.0
353.10028	30.3
353.13803	17.1
371.10913	12.2
371.14725	17.0
371.18866	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	371.0833
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29845	0.5
55.01860	2.0
55.03006	0.9
55.86882	0.4
56.96552	0.8
57.03426	3.9
59.04979	0.5
60.11644	0.5
61.02916	1.2
61.90588	0.5
69.03429	2.9
70.06586	1.1
70.77072	1.5
70.95791	0.5
71.01335	1.3
72.08165	0.4
73.02895	2.2
73.04425	0.4
73.04761	3.2
75.05349	0.4
84.04485	1.1
84.08145	2.2
85.02900	3.8
88.03995	0.9
91.05800	8.6
94.06528	0.7
95.04921	0.6
96.05595	1.2
97.02876	2.8
98.97581	0.9
101.06024	0.6
103.03927	0.6
107.04954	0.7
110.03519	19.1
114.07311	0.5
115.03964	2.2
117.05711	0.7
118.06548	1.7
119.01894	0.6
122.03489	0.6
122.06055	0.5
123.04630	0.5
124.05057	2.0
128.04552	3.1
129.10254	1.1
130.04985	0.5
133.04959	2.7
136.01407	2.1
136.06201	0.8
145.07628	1.8
147.04370	0.9
150.02985	3.9
150.05493	6.5
152.04541	3.1
153.04063	95.7
154.02458	23.5
154.04477	1.3
156.28363	0.5
161.36104	0.5
165.04108	2.9
167.05673	1.3
168.04031	1.0
169.03441	0.6
179.03282	0.5
180.06535	0.5
183.05119	7.0
186.14226	0.5
191.08202	0.9
193.03551	18.7
194.01984	3.1
195.05095	3.1
195.50116	0.4
196.03571	0.9
199.04559	1.0
209.03015	0.9
209.06995	0.7
209.09190	8.1
209.11214	0.5
211.04637	2.4
237.02879	0.9
239.04099	100.0
240.04370	2.6
240.07199	1.3
241.05579	1.4
251.03958	0.6
267.00064	0.7
268.97830	2.1
285.00937	4.1
299.05997	0.8
305.05194	0.6
311.06122	2.7
335.26273	0.6
355.06833	2.1
371.05655	0.5
371.14462	1.1
371.24246	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.2949
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.0
54.16300	2.5
54.49195	2.5
55.01855	5.2
55.05503	17.1
57.03431	4.2
57.07057	4.0
59.04977	2.8
65.03923	3.1
67.05495	37.3
69.07068	14.9
71.04984	19.1
71.38189	5.3
75.06001	2.4
75.88955	2.5
77.98196	2.4
79.05482	27.0
81.03397	6.1
81.07047	83.4
81.39149	2.7
83.04971	5.6
83.08601	13.5
91.05464	50.7
91.31116	2.8
93.07033	24.3
95.04955	9.7
95.08583	21.9
97.06517	5.8
97.10130	3.6
99.08070	4.4
105.07027	20.4
106.08631	4.8
107.04916	7.1
107.08559	16.4
108.08115	9.4
109.06509	36.2
109.10138	11.7
111.08096	6.1
117.07001	6.4
119.08564	19.5
121.06513	5.9
121.10159	14.7
123.08066	5.6
123.11683	3.9
125.09632	2.8
129.07025	3.6
131.08540	12.9
133.10133	14.5
135.08012	7.4
135.11678	4.6
137.09578	5.3
143.08582	3.3
145.10010	4.5
147.11652	14.6
149.09587	10.6
149.13254	8.5
150.11446	2.6
151.11148	4.8
156.66682	2.5
157.10118	2.7
159.11708	5.6
161.13190	3.7
163.11166	7.0
163.14754	2.9
165.12741	6.0
173.13210	3.4
175.11121	3.4
177.62614	2.4
187.11026	2.6
187.14795	3.0
193.12233	5.4
229.19571	3.6
239.17950	3.4
247.20468	5.9
257.19031	10.3
275.20023	100.0
307.22678	6.3
321.24271	41.5
330.34698	2.6
370.27606	3.1
370.40585	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	370.3312
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	2.6
57.07074	8.0
58.22267	1.5
59.29879	1.4
59.38094	1.5
65.03931	1.7
66.88248	1.5
67.05495	2.4
69.07066	3.9
69.62927	1.7
69.64149	9.6
69.64567	3.2
69.64704	1.2
71.08606	3.2
81.07035	7.3
83.08593	3.1
85.10171	2.2
86.09700	100.0
91.05470	99.3
91.59864	1.5
92.05823	2.0
95.08596	6.2
97.10169	2.5
106.06570	2.0
106.28358	1.5
108.08117	10.0
109.10179	2.8
132.10197	58.8
198.10530	1.8
247.44142	1.8
298.13141	1.8
370.30939	10.3
370.43469	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.1494
Annotation	Unknow
Peak:m/z	Relative Intensity
55.53003	0.2
58.66438	0.1
59.97632	0.1
65.03929	0.3
69.03415	0.3
70.06572	0.5
70.67668	0.4
70.68025	0.3
71.53635	0.2
73.04740	0.6
81.03397	0.2
84.04498	0.2
84.08119	0.6
85.02883	0.3
91.05463	2.3
91.05841	0.7
97.02876	0.2
109.02821	0.2
110.07159	0.3
119.04924	12.7
120.05270	0.3
120.08086	0.3
127.03896	0.4
147.04385	100.0
148.04726	2.4
163.58809	0.1
177.05382	0.2
179.03349	0.2
180.08846	0.2
191.06897	0.3
208.09660	11.4
209.10068	0.3
266.99722	0.3
268.97830	0.6
285.00967	0.4
309.09695	1.2
355.06815	0.3
370.14874	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	370.1494
Annotation	Unknow
Peak:m/z	Relative Intensity
53.24542	0.4
54.09046	0.4
63.01454	0.4
69.03424	0.7
69.09081	0.4
69.28093	0.4
70.71063	0.5
70.71414	1.1
72.08151	0.4
80.67425	0.4
85.02888	1.9
91.05444	2.9
101.85155	0.4
119.04929	10.6
147.04390	100.0
148.04736	2.8
151.41585	0.5
154.10313	0.4
190.08699	0.4
208.09666	29.0
209.10085	1.1
209.82780	0.4
268.07416	0.4
285.80933	0.4
302.99716	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.1492
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03936	0.5
69.03392	0.3
70.06600	1.1
71.21983	0.4
72.08146	0.2
73.04746	1.1
83.06055	0.3
83.81807	0.2
84.04478	0.4
84.08136	1.3
84.51925	0.2
85.02873	0.6
86.09697	0.5
88.03896	0.2
91.05388	1.2
91.05772	5.4
95.04976	0.3
99.51470	0.2
99.73295	0.2
105.87760	0.2
110.07144	0.9
114.07349	0.5
116.07082	0.4
119.04932	13.3
120.05215	0.4
120.08085	0.4
127.03876	0.3
129.10197	0.4
137.05867	0.3
147.04391	100.0
148.04712	3.2
157.57669	0.2
162.05553	0.3
167.05447	0.3
169.04584	0.2
177.05476	0.5
178.05861	0.3
179.03358	0.4
180.08847	0.3
181.87399	0.2
190.08623	0.3
191.06967	0.5
208.09680	10.6
209.10022	0.5
225.04536	0.2
266.99802	0.5
268.97675	1.1
285.00928	2.0
299.06125	0.4
303.02051	0.6
309.09677	0.9
355.06900	1.7
370.14969	2.7
371.22995	0.4
373.08231	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.1131
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.9
56.05024	1.3
57.03418	1.4
61.02921	1.0
69.03419	4.8
69.07061	0.6
69.88197	2.5
70.06586	7.1
71.04996	0.9
71.06916	0.7
72.08140	2.9
74.06069	0.5
79.05484	0.8
81.03397	2.6
84.04479	2.9
84.08138	5.4
85.02899	13.6
86.09704	3.2
87.04424	0.6
88.03973	0.5
91.03960	0.7
91.05775	3.0
97.02885	4.5
98.20842	1.4
99.04429	0.9
101.57989	0.5
102.05535	0.7
104.24483	0.5
109.02844	1.4
110.07174	3.4
112.08685	1.0
113.15590	0.5
116.04929	0.8
119.04905	3.8
120.08097	0.8
127.03907	2.3
129.10201	2.3
131.04958	0.7
133.03137	0.7
134.06006	2.6
136.07541	3.6
137.05945	0.6
144.04419	2.1
145.04959	1.7
146.05983	0.9
147.04396	31.5
148.03839	0.9
149.09583	0.7
150.05725	0.8
162.05486	100.0
163.05791	1.6
186.05481	1.1
190.04974	22.7
190.08597	0.7
193.09688	1.9
204.06508	3.3
208.06038	33.0
208.09596	8.6
209.06454	0.6
216.33145	0.5
232.05986	1.2
250.07077	1.2
270.51688	0.5
285.01025	0.9
303.01981	1.0
355.07068	0.6
370.11282	0.7
391.19415	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2633
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	7.3
55.01865	8.3
55.05508	47.3
57.03429	35.3
57.07069	46.9
59.06477	3.4
65.03937	5.0
67.05500	85.4
69.07066	31.2
70.01146	22.1
71.04993	13.4
71.08618	5.5
79.05492	49.1
81.03432	19.9
81.07051	86.1
83.04996	20.1
83.05413	3.9
83.08610	22.3
85.06503	5.3
85.10175	90.5
91.05476	53.1
93.07042	45.4
95.04955	36.8
95.08597	61.9
97.06537	11.8
97.10160	8.5
99.08092	9.5
105.07022	50.1
107.04926	21.3
107.08600	29.0
109.06509	11.4
109.10158	46.1
111.08076	9.6
113.09644	96.4
117.07025	13.9
119.08556	25.5
121.06524	5.4
121.10133	22.5
123.08062	15.7
123.11698	10.8
125.09663	5.9
128.06226	7.6
129.06999	13.1
131.00069	4.0
131.08543	17.7
133.06451	4.8
133.10115	35.7
135.08046	5.2
135.11678	11.4
137.05963	7.5
137.09673	6.2
143.08580	11.0
145.06555	4.9
145.10152	16.0
147.11644	22.5
149.09613	31.5
149.13231	8.2
151.11159	17.0
155.08522	4.9
155.14281	3.8
157.10133	11.1
159.11685	6.5
161.09576	6.7
161.13284	5.3
163.11212	14.0
165.12755	98.0
167.08627	4.6
169.10229	4.5
171.11656	7.3
175.11215	6.5
175.14795	9.1
179.14310	11.7
185.09746	6.5
185.13232	6.5
195.11554	3.8
207.13786	7.5
227.14308	5.6
234.39151	3.6
249.22173	6.9
259.20490	9.3
277.21600	100.0
279.94156	3.7
279.97339	3.9
295.22668	32.5
341.24667	5.4
351.25677	25.9
369.24542	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	369.2631
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59227	3.5
55.01855	11.5
55.05504	30.0
57.03440	7.3
57.07064	5.7
58.20900	4.1
67.05500	76.5
69.07061	23.0
70.45377	15.0
71.04993	4.6
71.08621	45.7
79.05486	67.5
81.03420	8.5
81.07049	68.9
83.04964	15.4
83.08594	18.5
85.06539	6.7
91.05465	46.8
93.07032	82.0
95.04964	20.9
95.08595	56.9
97.06520	11.8
97.10151	8.2
99.08075	28.2
105.07023	40.1
107.04929	12.3
107.08582	43.0
109.06498	5.3
109.10120	26.9
111.08086	5.1
113.09634	10.9
117.07018	7.0
119.08555	26.1
121.10127	31.7
123.11696	6.3
129.07036	7.2
131.08517	18.1
133.10118	22.5
135.11671	40.5
137.09587	7.6
139.29614	4.3
141.09053	6.6
142.18230	5.2
143.08571	8.1
145.10097	12.9
147.11671	6.3
149.13292	22.8
151.11176	21.8
157.10075	5.4
159.11731	8.6
161.13239	15.7
163.11165	11.2
165.12733	18.4
175.14821	6.0
179.14288	100.0
185.13193	4.9
194.05528	4.8
235.16803	6.3
235.96817	4.8
243.32715	5.2
259.20630	9.0
277.21582	81.5
351.25284	53.3
369.20779	20.4
369.24426	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	369.2632
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30202	1.0
53.03928	2.9
53.62537	0.9
54.30514	1.1
55.01857	3.1
55.05507	18.8
57.03428	12.4
57.07069	12.8
65.03924	1.8
66.95927	0.9
67.05135	2.0
67.05499	36.9
69.03410	1.5
69.07066	19.2
70.80995	3.2
71.04991	6.2
71.08620	1.2
73.03706	1.1
79.05487	20.6
81.03397	7.0
81.07046	38.7
83.04971	7.7
83.08625	6.0
85.02910	5.6
85.06522	3.2
85.10169	28.6
91.05473	17.5
93.06429	1.2
93.07033	18.8
94.23444	1.0
95.04956	12.9
95.08599	20.3
97.06502	3.0
97.10149	5.1
99.04419	1.5
99.08099	1.8
105.07030	17.0
107.04953	5.0
107.08579	16.0
109.06496	4.6
109.10143	28.7
111.08063	2.7
113.05958	1.3
113.09639	31.9
117.07020	2.6
119.08572	6.9
121.10107	8.9
123.08050	5.1
123.11665	5.1
125.09615	4.8
127.07523	1.5
129.06984	2.2
131.08537	4.5
133.10120	14.0
135.11697	1.8
137.09575	1.4
141.12724	1.9
145.10115	4.2
147.11688	6.0
149.09619	5.5
149.13239	1.4
151.11165	6.6
161.13234	2.5
163.11172	3.3
165.12738	28.2
167.14201	1.2
167.38930	1.1
169.12230	5.6
171.11638	2.4
175.03827	2.2
179.14320	4.8
181.12228	1.4
187.03833	1.1
189.11180	2.3
193.15904	2.2
207.13814	2.9
219.84039	1.0
249.22058	1.6
259.20529	3.9
277.21594	63.6
278.21854	2.4
291.84332	1.1
295.22650	100.0
296.23038	3.7
343.52283	1.2
351.25494	1.3
369.26364	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	369.2633
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	7.9
55.05508	33.2
55.42998	3.1
57.03438	27.7
57.07070	34.4
59.04998	4.2
65.03906	3.6
67.05493	48.3
69.07063	25.1
71.04983	6.6
71.08611	4.9
71.20058	9.1
79.05476	38.4
81.03398	9.0
81.07046	53.9
83.04958	8.7
83.08595	13.1
85.06499	4.6
85.09685	5.3
85.10175	88.6
86.64967	3.6
87.04484	3.4
88.06538	4.0
91.05470	39.6
93.07040	34.6
95.04971	21.5
95.08592	47.5
97.06496	14.1
97.10124	5.6
99.08088	6.3
105.07026	35.5
107.04928	10.6
107.08599	18.7
109.06497	8.9
109.10171	20.7
111.08043	5.0
113.09631	100.0
117.07047	4.2
119.08538	28.1
121.10118	13.6
123.08079	25.2
125.09605	4.0
127.11177	3.5
129.06973	7.8
131.08524	15.7
133.10103	15.7
135.11661	9.3
137.09573	7.9
141.12730	7.5
143.08595	4.8
145.10126	6.2
147.11713	19.9
149.09612	28.7
149.13257	6.6
151.11151	12.7
157.10091	4.6
157.12206	4.2
161.13228	8.6
163.11198	18.1
165.12724	71.6
171.11772	4.3
175.11183	8.3
179.14252	13.5
181.12219	5.1
191.00070	5.7
234.88100	3.6
241.68080	3.9
243.13167	3.8
249.22244	4.1
259.20490	10.9
266.63727	3.6
277.21606	60.2
285.72238	3.9
295.22510	14.1
309.91678	3.5
351.25345	24.1
369.26224	30.4
369.31537	10.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2632
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12654	3.0
53.03939	5.9
55.01851	15.1
55.05505	64.1
57.03429	23.1
57.07060	11.6
57.67432	4.2
65.03929	4.1
67.05498	74.1
69.03416	4.3
69.07064	32.1
70.06573	5.6
70.48083	13.5
71.02946	3.2
71.04989	5.8
71.08633	47.7
71.52488	3.2
73.17742	3.5
77.17155	3.6
79.05482	47.5
81.03421	5.2
81.07043	100.0
83.04976	15.5
83.08602	50.1
85.06533	4.8
85.10185	9.0
91.05463	50.4
93.07029	38.8
95.04955	16.6
95.08592	44.2
97.05912	3.1
97.06516	18.7
97.10168	4.6
98.46739	4.3
99.08083	41.7
105.07011	42.1
107.04923	5.8
107.08571	24.9
109.06506	9.9
109.10148	18.3
111.08051	26.8
113.09637	15.7
117.07000	6.6
117.32607	4.1
119.08563	25.9
121.10103	23.1
123.08018	8.8
123.11713	16.8
125.09605	4.4
129.06950	5.3
131.08562	11.1
133.10094	23.9
135.11707	15.9
137.09660	5.7
137.13268	4.6
139.11235	7.2
144.91312	4.5
145.10159	7.6
147.11693	40.2
149.09615	8.0
149.13297	18.6
150.10107	3.3
151.11179	17.2
157.10124	4.8
159.11729	4.4
161.13257	12.4
163.11191	5.1
163.14905	4.1
165.12727	37.0
171.11720	8.0
175.11179	6.3
175.14836	5.2
179.14272	12.8
185.13110	3.6
221.15399	3.8
241.19481	7.5
249.22224	8.2
259.20544	13.6
262.67856	3.7
277.21585	67.7
295.22653	14.2
351.25125	15.7
369.26328	59.0
369.30859	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	369.2632
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	5.8
55.01868	12.4
55.05504	69.3
57.03431	25.0
57.07062	6.0
65.03928	2.2
67.05497	63.8
69.03416	3.4
69.07059	29.8
70.65076	6.7
71.04983	4.8
71.08625	44.7
79.05477	37.4
81.03407	2.6
81.07046	100.0
83.04966	13.2
83.08611	49.7
84.08077	1.8
85.06538	6.1
85.10180	4.1
85.21744	1.6
89.98277	2.0
91.05472	39.3
93.07034	38.5
95.04966	10.3
95.08593	42.5
97.06516	14.7
97.10135	3.8
98.21396	1.9
99.08076	35.6
100.02697	1.8
100.22952	1.6
100.71162	1.7
103.05418	2.0
105.07021	34.7
107.08578	23.8
109.06506	6.0
109.10119	14.6
111.08076	22.7
113.09643	7.1
117.07037	6.1
119.08572	26.5
119.26323	1.6
121.10146	21.8
123.08069	6.5
123.11681	16.9
125.09602	4.5
129.07002	2.9
131.08545	6.9
133.10124	19.7
135.08041	1.9
135.10803	2.2
135.11664	11.0
137.05949	2.0
137.09601	5.0
137.13295	3.0
139.11189	7.0
141.51414	1.5
142.39307	1.8
143.08569	3.3
145.10129	5.6
147.11674	40.3
149.09630	5.8
149.13235	17.8
151.11151	11.6
153.09117	2.9
153.12755	3.1
157.10159	7.0
159.11691	5.6
161.13258	11.3
163.11195	7.0
165.12756	24.8
167.14284	3.4
171.11696	3.4
173.11714	1.8
175.11198	5.8
175.14842	3.2
177.12726	2.7
179.14284	10.3
185.13322	2.1
191.58269	1.9
193.12210	4.5
195.13797	3.3
221.15407	1.9
227.10277	1.7
231.21158	3.4
241.19615	3.2
249.22090	4.6
259.20532	10.7
277.21594	52.5
278.22070	2.4
295.22577	13.3
351.25372	5.4
369.26422	54.7
370.26633	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2631
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	6.0
54.93312	2.2
55.01864	12.4
55.05506	46.0
56.96552	2.4
57.03429	21.8
57.07068	8.9
67.05496	88.7
69.03426	2.7
69.07063	34.8
69.74675	17.6
70.06580	4.8
71.04992	7.8
71.08618	30.6
79.05486	62.2
81.03406	17.4
81.07046	100.0
82.07378	3.3
83.04972	15.6
83.08611	29.4
85.06525	4.0
85.63204	2.1
87.04456	2.1
91.05468	48.3
91.06037	2.4
93.07029	75.1
93.72605	2.5
94.07350	2.5
95.04961	21.9
95.08595	47.6
97.02905	2.2
97.06504	11.6
97.10154	15.5
98.21447	2.6
99.04431	2.6
99.08080	26.0
102.26832	2.2
103.03924	2.3
105.04532	2.8
105.07013	36.5
107.04951	5.7
107.08575	49.2
107.09246	3.7
108.08936	2.4
109.06502	10.6
109.10134	24.9
111.08085	9.7
113.09689	2.9
115.05463	2.3
116.06243	2.2
117.07021	14.0
117.51901	2.1
119.08575	22.9
121.06493	3.9
121.10133	23.2
123.08088	5.9
123.11715	9.3
125.02339	3.6
125.09602	11.2
127.11210	2.8
129.07014	5.0
131.04880	3.5
131.08537	13.2
132.99580	3.6
133.10104	25.5
135.08081	5.4
135.11671	19.7
137.05994	6.0
137.09650	3.8
139.11156	5.5
142.97964	3.1
143.08557	5.8
144.53574	2.2
145.06480	2.3
145.10144	11.0
147.11687	20.3
149.09631	5.1
149.13235	22.8
151.11168	41.0
155.08485	3.1
157.10074	4.5
159.11639	10.4
161.09637	4.6
161.13196	15.9
163.00578	3.3
163.03850	9.3
163.11153	14.6
163.14825	3.4
165.12764	14.9
171.11668	6.6
173.11745	6.0
173.13155	4.4
175.03934	5.3
175.11180	4.9
175.14804	5.2
176.98486	2.9
177.12685	4.6
179.14253	8.6
181.12291	2.4
185.13202	4.8
187.00479	2.5
187.03946	2.9
189.05458	6.4
189.11182	11.4
191.00110	3.5
195.12146	2.5
195.13705	13.1
199.14783	2.7
205.01714	3.1
207.13820	3.0
221.15295	4.7
227.12721	8.0
231.10181	2.9
241.19455	7.8
245.13863	4.3
249.22121	4.6
253.17950	5.0
259.20560	10.3
269.17429	29.5
277.21597	84.4
286.99347	2.8
295.22562	8.3
325.21490	2.7
337.10974	2.5
351.19104	3.2
351.25388	27.3
369.20236	11.1
369.26636	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	369.2632
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68827	1.1
53.03936	3.3
55.01866	6.2
55.05504	24.1
57.03209	1.0
57.03434	13.4
57.07074	9.5
59.04976	1.5
65.03922	2.0
65.41766	1.1
67.05499	48.8
69.03410	2.7
69.07062	23.0
70.06590	2.7
71.04991	8.1
71.08620	5.0
71.75224	1.3
79.05493	26.0
81.03419	8.5
81.07050	46.4
82.07312	1.1
83.04980	8.5
83.08611	12.9
84.08138	1.4
85.02888	4.7
85.06523	3.1
85.10173	20.4
86.70477	1.3
91.04913	1.8
91.05471	24.9
93.07038	28.6
93.07589	1.1
95.04962	21.1
95.08602	20.9
97.06513	5.8
97.10166	8.2
99.08076	4.7
105.07015	23.8
107.04931	4.8
107.08583	16.2
109.02887	1.1
109.06538	7.0
109.10143	33.2
111.08066	4.4
113.09646	19.4
117.07002	5.1
119.08556	12.6
121.06492	2.6
121.10155	11.3
123.08030	3.7
123.11697	5.1
125.09624	5.4
128.06180	1.5
129.07005	6.9
131.04887	1.3
131.08543	8.5
133.06448	1.4
133.10123	19.3
134.95813	1.3
135.08037	3.2
135.11668	5.3
137.09607	3.1
138.05486	1.8
138.58972	1.1
141.12733	1.2
143.08524	4.0
144.05624	1.4
145.10114	6.1
147.11667	9.9
149.09602	7.1
149.13237	3.9
151.11166	9.8
153.06738	1.8
155.08577	1.8
157.06424	2.1
157.10091	4.5
159.08028	1.8
159.11642	3.6
161.09593	1.8
161.13245	3.9
163.11217	3.1
165.06943	1.5
165.12738	35.3
166.07782	1.4
167.08507	1.6
169.12215	3.6
171.07977	1.8
171.11653	4.6
173.09560	1.7
173.11778	2.1
175.03854	1.3
175.11180	3.6
179.14270	3.7
181.10136	1.3
181.12303	1.5
185.09592	2.1
185.13245	2.1
187.13286	1.8
187.14847	1.5
189.11198	2.2
189.12772	2.4
193.15941	1.4
193.30850	1.0
195.11754	1.8
203.14261	1.2
207.11838	1.5
207.13783	3.9
211.07443	1.5
213.09114	1.8
213.12817	2.1
221.15419	1.6
225.09100	1.4
227.10591	2.0
231.21019	1.7
241.19537	2.2
249.22144	2.4
259.20630	3.8
264.19592	1.3
277.21606	74.0
278.21976	2.8
295.22672	100.0
296.23093	2.8
310.20065	1.5
323.20071	1.3
342.22833	3.1
351.19348	3.7
351.25641	2.4
369.20227	11.2
369.26016	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	369.2631
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51649	1.1
53.03925	2.7
55.01852	3.0
55.05509	16.9
57.03432	11.0
57.07084	8.1
61.16868	1.3
65.03924	2.1
67.05151	1.9
67.05502	34.9
68.82368	1.1
69.03429	1.5
69.07066	17.0
69.19946	1.2
71.04998	6.8
71.08617	5.9
71.17953	3.5
71.74636	1.4
77.57123	1.6
79.05492	21.3
81.03426	8.7
81.07051	36.0
83.04958	5.6
83.08597	10.2
85.02891	3.5
85.06529	3.2
85.10174	18.1
91.05480	14.0
93.07042	19.6
95.04970	13.9
95.08597	18.4
97.06538	3.6
97.10179	6.1
99.08064	5.8
105.07017	16.7
107.04935	4.4
107.08588	17.1
109.06509	5.3
109.10145	28.5
111.08051	2.7
113.09637	21.6
117.07029	2.5
119.08546	6.6
121.10130	8.2
123.08049	3.7
123.11700	4.4
125.09627	3.9
129.07034	1.9
131.08539	3.8
133.10121	16.7
135.11653	2.6
137.09595	1.4
137.13254	1.9
145.10141	2.2
147.11664	6.6
149.09618	4.0
151.11180	12.7
157.10201	1.5
161.13252	3.9
163.11180	3.6
165.12747	33.1
169.12251	6.3
171.11687	1.9
173.11722	2.9
179.14285	3.6
185.13170	1.4
189.11244	3.2
191.00191	1.6
207.13853	3.0
231.21022	2.8
245.13725	2.1
249.22249	1.4
259.20685	2.9
277.21603	72.7
278.22009	2.6
295.22653	100.0
296.22861	2.2
343.24222	1.7
351.25281	5.4
369.21423	2.2
369.26260	13.9
370.26172	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2267
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.0
55.01860	5.6
55.05508	5.3
57.03421	2.7
57.07053	0.9
67.05495	5.8
69.07075	4.6
69.99973	2.1
70.06548	0.6
71.04955	0.7
71.08643	0.6
79.05483	6.5
81.07045	26.5
83.04955	2.3
83.08611	2.6
85.06510	0.5
91.05476	3.4
93.07034	4.6
95.04964	0.9
95.08600	6.1
97.06499	1.6
105.07006	4.4
107.08573	4.0
109.06507	11.5
109.10144	3.1
111.04431	17.1
111.08045	1.2
117.06985	0.7
119.08572	5.6
120.30634	0.5
121.10142	4.5
123.08050	1.3
123.11673	1.7
125.05978	6.7
129.06996	0.7
131.08566	2.5
133.10118	3.8
135.08026	2.2
135.11682	4.6
137.05957	100.0
137.09576	1.3
137.13254	2.0
138.06306	1.8
139.07585	0.7
142.07761	0.5
143.08536	1.4
145.10085	1.9
147.08026	1.6
147.11664	5.8
149.09627	3.8
149.13240	1.3
151.07513	3.5
151.11151	1.2
156.09261	0.5
157.10107	1.7
159.11693	1.1
160.08762	0.5
161.09595	6.4
161.13260	2.4
163.11150	3.4
163.14798	0.9
165.09073	2.4
165.12691	0.6
167.10695	0.8
171.11746	0.7
175.11171	5.6
175.14816	0.7
177.12827	0.8
179.10658	2.1
181.12224	0.9
186.04015	0.5
189.12698	1.5
193.12193	1.6
195.11734	0.6
203.17957	6.3
207.13634	0.5
213.16469	2.4
221.18944	2.5
223.14865	0.6
231.17397	9.3
241.15807	1.3
249.18452	12.4
250.18788	0.6
277.17960	54.9
278.18335	2.0
295.19016	18.1
296.19360	0.6
351.21655	7.8
367.34265	0.5
369.22632	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1905
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	11.3
55.01867	6.9
55.05508	22.0
55.49215	2.0
57.03431	5.0
59.04998	2.6
65.03953	3.3
67.05500	56.5
69.03425	21.5
69.07065	21.2
70.06587	7.1
71.04988	10.2
71.73248	2.4
71.73633	2.2
72.42124	2.0
73.06541	3.5
79.05486	77.8
80.05814	2.2
81.03410	36.3
81.07050	52.5
83.04981	11.5
83.08596	8.9
84.08147	4.2
85.02897	36.5
85.06538	5.6
91.05473	69.5
91.06049	3.9
93.06438	5.0
93.07037	100.0
95.04957	24.3
95.08598	32.5
97.02899	11.6
97.06522	6.5
97.10146	3.4
97.59653	2.1
98.97598	2.2
99.04443	10.1
99.08073	2.5
101.06015	2.3
103.05446	3.9
105.04552	2.8
105.07022	62.9
107.04931	4.6
107.08591	27.1
109.02872	28.1
109.06512	11.4
109.10142	14.3
111.04463	2.7
111.08073	5.1
115.05455	4.5
117.07014	11.9
119.04938	5.2
119.08559	29.0
121.06514	5.4
121.10137	10.4
122.10491	2.7
123.08075	6.6
123.11720	5.0
125.09565	2.4
127.03902	44.8
128.06207	4.4
129.06987	24.2
131.04907	2.6
131.08548	8.1
133.06473	3.1
133.10127	25.4
135.07991	4.1
135.11676	5.9
137.05945	10.3
141.06964	3.2
143.08571	13.4
145.04948	3.3
145.06427	2.2
145.10109	21.6
147.04390	4.5
147.08035	6.8
147.11671	64.8
149.09648	3.4
149.13275	3.1
151.07559	6.8
155.08539	3.3
159.11674	5.2
161.05986	4.3
161.09569	17.2
161.13228	16.9
163.03868	3.2
163.11185	7.5
165.09151	3.9
167.07030	2.8
169.10222	2.2
171.11679	42.6
172.12189	2.0
175.03902	4.2
175.07559	3.6
175.14774	4.4
179.10652	3.4
185.13268	2.6
187.11250	2.7
189.09117	3.4
189.12674	19.9
203.10742	3.0
207.06462	5.8
207.13771	35.6
217.12180	2.3
241.08337	2.4
247.07610	2.6
248.08362	2.6
249.09178	3.1
276.07794	2.2
277.18201	2.2
285.26096	2.0
309.10983	2.7
315.12314	2.2
333.13364	6.3
337.10617	11.7
338.11340	2.7
351.18198	6.1
359.81934	2.3
369.12894	12.1
369.23996	3.6
369.27991	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	369.1942
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	5.1
56.96559	46.6
67.05486	3.2
69.07034	1.5
70.06578	2.3
70.40728	5.6
71.95248	4.4
72.96049	1.8
74.13229	1.4
74.97591	1.4
81.07042	3.6
83.08626	2.0
84.08110	1.5
84.96030	1.7
93.07029	1.9
97.96844	1.8
100.11237	2.1
109.10121	1.8
110.07140	1.5
110.97561	2.4
116.98512	2.2
121.10122	1.4
127.00584	1.4
128.98570	4.9
131.00081	1.8
134.99524	1.8
137.02698	2.8
144.77377	1.3
146.99632	5.6
148.00430	1.4
155.03786	2.5
157.01779	1.4
158.99452	1.6
159.48312	1.4
161.01167	2.1
171.03311	3.7
172.53636	1.2
173.04800	3.4
175.06400	1.5
185.04829	2.8
185.08421	1.6
189.04314	4.8
195.06670	1.3
197.04819	1.4
199.06412	15.5
201.04333	2.3
201.07974	5.9
202.05278	1.6
203.05968	6.3
210.14912	1.3
211.06403	5.9
213.07907	6.7
215.02342	2.0
215.05807	1.8
217.07463	21.8
219.08990	4.9
225.07983	3.8
227.05830	1.8
229.07460	60.5
231.09013	11.2
239.09485	2.5
240.09045	2.0
241.11090	6.0
243.08878	6.5
247.08504	54.3
251.09457	2.6
252.09087	8.7
255.09039	2.5
257.06836	2.9
257.10648	3.1
258.07739	3.8
259.12238	6.0
261.10043	2.2
269.10559	23.9
270.10071	3.5
273.09976	1.9
276.08795	1.5
287.11658	14.0
292.12152	4.3
309.17453	2.1
315.16138	2.7
333.17371	28.0
351.18387	44.0
352.18579	1.7
369.19424	100.0
370.19995	2.9
374.20050	7.4
387.20493	87.4
388.20667	1.8
392.21033	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1693
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.0
55.05491	0.9
61.83905	0.6
64.04871	0.6
65.03938	0.9
67.05482	1.1
70.06594	3.4
71.49570	0.8
72.08141	0.7
79.05497	3.4
81.07031	1.9
84.08152	1.3
84.71001	0.6
86.09712	0.9
90.48975	0.6
91.05463	6.0
93.07044	0.8
94.04192	4.3
95.04955	1.8
95.08605	0.7
103.05451	2.9
105.07029	6.7
107.01387	0.6
107.04946	1.5
107.08575	1.1
109.06491	1.5
110.07141	0.6
115.05439	1.1
117.07027	1.5
118.04155	1.4
119.04920	2.6
119.08584	0.8
120.08074	0.9
121.06491	2.3
122.03638	10.9
128.06213	1.3
129.07005	2.9
131.04919	5.5
133.06480	12.0
137.05963	100.0
138.06294	2.5
141.06937	1.4
143.08498	1.2
144.05695	1.2
145.06433	3.1
146.03586	1.1
147.04376	0.9
147.08066	1.4
151.07533	5.1
157.06454	2.4
159.08070	3.5
161.05969	51.6
162.06395	0.9
163.07509	4.6
165.09061	1.4
167.07034	2.0
171.08006	1.6
173.05951	0.7
173.09616	0.7
174.06766	1.0
175.07518	7.2
177.05429	0.8
177.09073	1.2
179.08484	0.8
187.07516	14.2
187.09068	1.1
189.05458	1.7
189.07346	1.0
189.09071	4.6
193.06389	0.8
195.08070	0.9
199.07558	4.1
201.09070	2.2
202.07623	0.8
203.10851	0.8
205.06630	0.7
207.06412	0.9
207.08163	1.4
211.07442	0.8
213.09103	2.9
215.10635	0.7
218.07339	0.6
219.07977	1.6
222.06766	0.7
227.10648	1.5
231.08188	1.2
234.06740	1.1
235.07506	1.3
235.16818	0.6
236.08295	0.9
237.09084	1.2
245.11710	0.7
247.07542	1.0
248.08345	0.8
249.09146	0.7
250.06418	0.7
251.06981	1.0
261.09140	0.7
263.11130	0.7
264.07889	1.0
265.08487	1.2
276.07944	0.8
277.08673	1.3
279.09930	1.4
281.08063	1.2
287.10321	0.8
291.10089	1.4
293.08005	1.2
294.08517	0.6
295.79367	0.7
298.07663	1.0
305.08038	0.9
307.09650	1.8
308.10287	1.2
309.11224	1.3
310.11816	0.6
311.12674	0.9
319.09665	0.9
319.13263	2.1
326.07199	0.7
337.10663	12.6
338.11533	1.4
339.12067	1.6
351.12250	0.7
351.15918	12.8
369.08984	2.3
369.13400	4.2
369.17056	1.8
369.23557	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1542
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.1
55.01857	1.5
55.05497	1.9
57.03425	2.0
65.03931	0.9
67.05488	1.6
69.03424	8.0
70.06585	0.9
70.83526	0.7
70.83881	1.8
71.04990	6.8
73.42789	0.6
79.05490	5.4
81.03409	25.3
81.07058	2.9
81.78683	0.6
85.02905	3.6
91.05470	12.9
93.07039	6.5
95.01293	0.6
95.04969	2.5
95.08575	2.8
97.02883	1.0
98.09697	0.7
99.04446	17.1
103.05458	2.1
105.07020	100.0
106.07359	2.0
107.04899	1.1
107.08576	4.4
109.02875	14.2
109.06494	1.9
115.05395	1.1
117.07008	2.4
119.04929	2.0
119.08573	9.2
121.06508	4.7
121.10177	0.9
123.08054	2.3
127.03902	2.6
128.06212	3.1
129.06978	1.3
130.07791	1.2
131.04938	0.8
131.08597	2.9
133.06488	5.6
133.10115	73.0
134.10472	2.3
135.08028	1.0
135.11678	2.2
137.02299	0.8
137.05948	1.4
143.08554	6.5
145.05011	0.9
145.06427	0.8
145.10112	12.6
146.07251	4.3
147.08028	2.0
151.07527	6.4
151.11153	1.3
161.02333	0.9
161.09604	75.0
162.09966	2.2
163.11166	22.4
165.09108	0.7
171.07985	3.1
174.06686	0.8
179.03395	1.3
179.10652	13.8
189.09085	30.5
207.10170	15.2
213.07549	3.2
225.11240	1.6
241.15689	0.7
243.08661	2.0
256.02524	0.6
261.09665	1.7
271.09149	0.6
295.06055	2.4
299.05417	1.7
305.13803	0.8
311.05493	1.2
313.07169	3.7
323.05356	3.7
323.14844	2.0
331.10236	0.7
333.13284	1.5
337.10782	1.0
341.06577	1.4
341.15961	4.1
351.04822	1.4
351.14410	6.9
369.05978	7.7
369.15472	12.6
370.06348	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1541
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	15.0
55.01863	33.7
55.05510	39.2
57.03424	15.2
59.04978	8.8
60.41702	6.0
65.03944	12.2
67.05497	76.2
68.99788	7.2
69.03412	25.0
69.07039	23.2
69.47928	23.7
69.48351	30.7
70.06570	18.2
71.01331	20.7
71.04977	15.9
73.02904	29.6
78.69076	4.9
79.05495	77.0
80.05457	6.4
80.85954	5.6
81.03405	77.3
81.06663	6.5
81.07050	68.3
83.04973	16.0
83.08602	19.7
85.02895	25.3
85.06520	7.1
87.04443	7.4
89.06030	49.6
91.05471	97.7
93.07034	55.0
95.01319	27.1
95.04974	51.3
95.08604	49.3
97.02901	25.8
97.06507	13.6
97.10165	8.5
99.04430	10.1
102.06809	8.8
103.05455	10.7
105.03406	7.2
105.07018	79.1
107.04963	40.3
107.08595	36.4
109.02881	36.5
109.06509	14.1
109.10132	49.8
111.00820	8.1
111.04395	10.0
111.08064	12.0
113.02377	8.9
115.05489	9.0
117.07021	29.8
119.04931	15.1
119.08558	35.9
121.02882	6.8
121.06524	26.1
121.10134	18.5
123.04424	34.7
123.08120	12.7
123.11662	6.7
125.02332	16.1
125.05937	7.2
127.03910	7.2
129.07011	28.6
131.04927	16.6
131.08548	36.1
133.02818	9.7
133.06439	16.1
133.08582	20.5
133.10097	42.1
135.04384	28.5
135.08026	17.4
135.11681	10.7
137.02347	6.8
137.05952	19.6
137.09564	19.5
137.10524	5.5
139.03850	14.2
141.01794	24.5
141.06964	11.5
142.07759	6.4
143.08545	22.3
145.06480	18.6
145.10110	18.3
147.04413	39.8
147.08009	18.4
147.11691	19.1
149.05968	20.4
149.09645	12.8
151.03902	48.8
153.05507	10.9
155.08545	10.6
157.06511	14.0
157.10123	25.8
159.04373	7.4
159.08020	6.8
159.11685	24.5
161.05952	16.3
161.09619	39.7
161.13225	6.4
163.03859	19.4
163.07541	9.1
163.11174	13.8
165.01811	10.8
165.05502	8.7
165.06990	7.2
167.07048	10.2
167.08437	9.7
169.10144	13.5
171.04405	6.3
171.08043	13.1
171.11711	16.7
173.05946	9.5
173.09583	7.1
173.11763	27.2
173.13103	8.0
175.03983	33.7
175.07466	12.7
175.11124	32.1
177.05490	13.8
177.11205	8.3
177.12727	7.7
179.03389	28.6
179.08519	6.9
179.10667	6.9
185.09541	11.9
187.07558	7.0
187.11133	22.3
189.05453	12.9
189.09125	13.4
189.12682	12.5
191.03435	13.5
191.10675	8.1
193.12228	28.1
197.04390	8.1
199.07574	12.0
199.11192	7.6
201.05386	8.7
201.09138	6.7
203.03336	8.7
203.10599	9.3
205.12173	8.8
207.06477	12.3
207.10069	11.5
211.13211	18.8
215.10654	16.3
217.12224	15.0
223.13268	8.0
225.09058	10.7
227.10661	10.6
233.11740	23.8
235.13310	7.3
236.08498	6.6
239.12880	7.6
241.12213	14.4
243.10210	13.0
245.11668	11.1
251.12805	15.3
259.13351	11.8
261.11133	22.7
261.14804	9.1
263.12845	11.9
269.11667	22.9
271.13116	8.3
277.14282	8.5
279.12286	21.9
287.12747	69.7
289.14359	15.2
295.06082	7.9
297.08051	6.0
297.10727	8.7
297.13684	13.4
299.05475	6.9
305.13910	48.7
307.15320	8.5
313.07074	6.6
315.12189	67.8
323.05511	14.5
323.14920	12.6
333.13269	100.0
337.10654	23.3
339.12329	6.7
351.14304	41.7
368.66119	8.0
369.05829	16.2
369.15521	53.4
369.66599	8.7
378.35724	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	369.1541
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.2
55.01862	1.0
55.05500	1.8
57.03428	1.7
57.99141	0.7
59.04980	0.9
61.45536	0.8
67.05488	2.6
69.03424	6.7
70.06585	2.0
71.04984	7.8
77.90298	0.7
78.07349	0.7
79.05479	6.6
80.74062	0.9
81.03410	26.0
81.07042	3.5
83.04968	1.3
85.02899	3.1
90.54214	0.8
91.05467	14.9
93.07033	9.1
95.04956	2.1
95.08581	3.1
97.02897	1.1
99.04452	17.4
100.32971	0.8
103.05463	2.4
105.07017	100.0
106.07349	2.7
107.04929	2.1
107.08599	6.1
109.02870	17.4
109.06512	2.7
111.08071	0.9
117.07011	2.8
119.04922	3.2
119.08553	9.7
121.06506	3.3
121.10093	0.9
123.08031	2.9
127.03900	2.2
128.06226	2.8
129.07039	0.7
130.07777	1.3
131.08539	3.6
133.06503	8.6
133.10114	74.1
134.10423	2.3
135.11661	2.9
137.05980	3.0
137.09576	1.2
143.08549	8.8
145.04947	1.9
145.06493	1.4
145.10110	15.4
146.07274	2.7
146.10434	0.9
147.08070	2.5
151.07513	7.7
151.11115	0.9
161.09599	75.5
162.09966	2.6
163.09770	1.3
163.11157	24.7
171.08037	3.3
174.06798	0.8
175.04042	0.9
179.10655	16.6
185.15971	0.9
188.09671	0.8
189.09093	33.4
207.10133	16.9
208.10336	1.0
213.07610	3.2
225.11246	1.7
243.08678	1.9
261.09726	1.5
285.06787	1.0
323.14801	1.8
333.13226	1.7
341.15939	3.1
351.14325	8.6
369.15457	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	369.154
Annotation	Drosopterin
Peak:m/z	Relative Intensity
53.03934	3.6
54.53649	1.8
55.01866	12.1
55.05513	18.3
57.03423	3.7
57.07060	3.4
65.03935	4.8
67.05501	24.2
68.99776	2.8
69.03415	8.0
69.07058	11.4
70.06579	6.9
70.42001	3.9
70.92591	1.8
71.04977	4.2
72.08148	2.4
79.05490	22.7
81.03413	10.2
81.07050	29.1
83.01345	3.3
83.04975	5.0
83.08591	5.8
84.08132	2.7
85.02892	9.1
86.09703	1.9
91.05469	31.6
92.05796	2.4
93.03398	4.4
93.07040	21.2
95.01326	2.8
95.04957	15.4
95.08595	17.4
97.02878	4.9
97.06520	4.4
97.10135	6.2
98.21346	2.1
99.04420	3.1
103.05430	3.1
105.03394	3.9
105.07021	25.8
107.04942	13.4
107.08595	14.9
109.02875	6.7
109.06506	7.0
109.10140	8.3
111.04419	3.2
111.08089	2.2
115.05460	6.2
117.06989	13.9
119.04942	7.1
119.08565	15.7
121.02833	8.3
121.06513	7.6
121.10112	11.1
123.04408	5.4
123.08064	3.2
123.11706	2.8
125.02338	5.0
125.09656	2.9
127.03911	2.0
128.06210	5.6
129.06995	14.4
131.04901	6.3
131.08560	14.5
133.02827	4.0
133.06479	8.4
133.10124	11.5
135.04410	8.3
135.08035	5.1
135.11620	3.7
137.02356	5.1
137.05956	6.4
137.09593	2.7
139.03891	2.7
141.06937	6.7
142.07805	2.5
143.08543	11.2
144.05759	2.0
145.06459	9.3
145.10117	11.5
147.04382	10.8
147.08052	5.9
147.11685	5.2
149.02301	6.9
149.05988	5.6
149.09628	4.4
151.03864	13.4
151.07512	3.0
151.11108	2.9
153.05479	2.2
153.06912	2.7
153.09077	3.0
154.07816	2.6
155.08536	6.9
157.06479	6.2
157.10109	6.4
158.07167	2.0
159.04411	4.8
159.08047	5.5
159.11671	4.7
161.02324	3.4
161.05983	7.9
161.09592	13.5
161.13194	2.1
163.03885	8.5
163.11192	8.9
165.01814	11.0
165.05461	2.5
165.06894	4.1
165.09122	2.6
167.03398	3.7
167.07149	2.4
167.08577	4.5
169.06483	1.9
169.10092	4.0
171.08060	4.5
171.11641	6.0
173.05949	5.7
173.09595	5.9
175.03888	15.0
175.07504	3.9
175.11211	4.4
177.05452	6.2
177.09109	2.3
177.12730	2.6
179.03404	5.2
179.10741	2.2
181.10109	3.4
183.11736	2.4
185.09575	6.4
185.13234	2.9
187.03979	4.1
187.07542	4.1
187.11154	4.5
189.01831	3.4
189.05411	11.3
189.09070	5.8
191.03362	6.0
191.07076	2.2
193.04887	3.0
195.08000	3.1
195.11688	2.8
197.09496	3.5
199.07536	2.7
199.11169	3.6
201.05531	1.9
201.09132	10.7
201.12663	2.3
202.09694	2.4
203.03418	3.0
203.10648	4.2
205.04953	2.6
205.12248	4.7
206.07225	2.0
207.02890	4.2
207.06503	8.4
213.09106	4.5
213.12779	3.1
215.07104	3.0
215.10672	6.1
217.04950	4.0
217.12190	2.9
219.08037	4.7
221.04436	11.9
223.07626	2.4
223.11185	5.1
225.09087	2.1
227.10645	3.7
229.08574	2.3
231.08099	3.2
231.10019	8.8
233.11652	12.0
234.06741	2.3
235.07661	2.2
237.09192	3.1
241.08546	2.9
241.12259	7.6
243.10181	3.2
243.13840	2.2
245.11673	4.3
247.07509	2.7
248.08232	3.6
249.09079	4.0
251.06924	2.1
251.10683	6.1
255.10155	2.5
257.11700	2.0
259.09567	9.7
259.13223	3.5
262.40836	1.9
265.08633	4.9
269.11627	11.7
273.11197	3.4
275.06900	2.8
276.07840	2.8
277.10730	94.8
278.11075	4.3
279.10095	4.6
287.12775	20.3
287.15732	3.0
290.09497	2.0
293.07898	2.5
294.08929	2.8
297.11099	11.7
303.12265	11.8
305.13776	7.9
307.09546	2.0
309.11197	4.0
311.12573	1.9
315.08871	2.5
315.12213	37.9
316.12747	2.2
321.11252	2.3
323.09067	2.8
333.13306	100.0
334.13577	7.0
337.10678	22.2
338.11340	2.8
339.12363	4.0
351.14740	14.2
369.13025	11.3
369.18787	3.3
369.23837	4.7
369.27917	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1541
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	3.2
55.01855	2.6
55.05500	2.9
55.92952	0.6
56.05012	0.7
57.03422	3.1
58.99578	0.7
59.04996	13.7
61.01133	1.3
61.02905	0.8
65.03932	1.3
67.05499	3.7
69.03426	7.8
69.07048	0.8
70.06586	18.7
70.75239	0.7
71.04667	0.8
71.04989	9.8
71.74641	1.1
72.08141	3.5
73.02905	0.8
74.06061	1.5
77.06049	0.8
79.05482	8.6
81.03410	25.4
81.07059	6.8
82.05241	0.7
83.04961	1.6
83.06100	1.1
84.04504	1.0
84.08147	4.9
85.02904	3.8
85.06532	0.8
86.09698	2.2
87.04456	5.0
89.06015	7.9
90.23578	0.7
91.05469	25.5
92.05789	0.8
93.03378	1.0
93.07037	8.5
95.04967	5.1
95.06082	1.0
95.08586	3.7
96.06329	0.7
97.02895	2.0
97.06497	1.2
99.04447	25.6
103.03942	11.6
103.05435	2.3
103.07590	1.7
105.07021	100.0
106.07363	2.9
107.04942	3.3
107.07067	1.0
107.08581	7.5
109.02869	17.1
109.06515	3.3
109.10171	1.5
110.07154	2.3
111.04430	0.8
111.05562	1.9
111.08067	2.0
112.08695	0.9
115.05451	1.9
116.07113	1.3
117.05533	0.8
117.06992	2.6
117.09127	1.8
118.06860	2.8
119.04919	2.2
119.08570	9.9
120.08093	1.8
121.06531	4.5
121.08578	2.9
121.10114	1.1
123.04427	1.4
123.08088	3.3
123.11692	1.5
127.03930	3.4
128.06197	3.3
129.06999	0.9
129.10228	3.1
130.06520	1.6
130.07767	0.9
131.04956	0.8
131.07045	3.5
131.08557	4.7
132.08058	1.2
133.06483	7.8
133.08658	4.3
133.10118	72.3
134.10484	2.0
135.04407	1.0
135.08037	1.3
135.11681	2.2
137.02347	1.9
137.05980	2.0
137.09599	1.7
139.03894	1.0
143.08534	6.1
145.04953	2.0
145.06351	0.9
145.10114	8.6
146.07256	3.2
147.04411	1.7
147.08052	1.7
149.09650	0.7
151.07547	5.0
151.11162	1.8
159.09183	2.9
160.07585	1.9
161.09605	75.7
162.09927	2.0
163.03893	1.7
163.07616	0.9
163.11160	19.7
164.11517	0.7
165.09091	1.3
166.12305	0.8
171.08083	1.9
174.06781	1.1
177.09006	1.0
179.03513	1.1
179.10661	19.4
181.04907	1.1
189.01810	0.9
189.09087	24.1
190.09483	1.4
191.03378	3.0
197.04500	0.8
207.02895	1.7
207.06564	1.0
207.10165	16.3
207.12242	3.4
213.07564	1.9
225.11212	2.4
231.08598	1.1
243.08687	1.5
261.09668	2.7
266.14044	0.8
274.12195	1.1
291.06656	0.9
291.10010	0.7
310.04623	0.8
313.07013	2.6
323.05576	2.7
323.14902	2.7
323.21713	1.4
324.09601	0.9
341.06525	6.8
341.15991	3.6
342.06860	1.3
351.08649	1.0
351.14389	7.3
369.05966	15.5
369.15326	11.9
369.21378	2.6
370.06290	1.3
370.15564	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1539
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	5.5
53.39294	1.2
55.01864	2.4
55.05492	4.4
57.03425	3.6
59.04972	1.6
60.04507	1.7
61.02898	1.3
67.05491	4.2
69.03419	15.6
69.07058	2.3
69.49803	8.4
69.50212	2.9
70.06606	6.7
71.04985	7.1
72.08134	2.2
79.05479	8.4
81.03406	29.0
81.07036	6.4
83.04975	5.9
83.06085	2.7
83.08562	1.2
84.08128	3.0
85.02888	14.0
86.09698	2.9
88.03951	1.6
91.05468	20.4
92.05811	1.5
93.04494	1.7
93.07027	11.7
95.04949	4.4
95.06080	2.8
95.08608	6.2
95.09132	1.0
97.02895	5.4
98.09723	1.4
99.04442	20.7
103.05434	2.1
105.07018	100.0
106.07351	3.0
107.04939	4.2
107.08582	11.7
109.02863	20.7
109.06519	5.7
109.10163	3.3
110.07148	11.0
111.07510	3.0
115.05447	2.3
117.06998	3.4
119.04926	4.2
119.08578	17.4
120.08105	2.7
121.06491	6.5
121.10133	5.0
123.04421	1.8
123.08050	6.1
123.11709	1.6
127.03906	5.0
128.06198	3.8
130.07773	1.7
131.04890	1.6
131.08493	5.7
133.06506	9.0
133.10114	79.7
134.10452	2.9
135.08009	3.3
135.11696	3.8
137.02303	1.8
137.05919	2.0
137.09608	5.0
143.08577	9.2
145.04938	4.6
145.06491	1.4
145.10100	17.2
146.07259	3.6
147.04388	4.5
147.08031	3.3
147.11667	5.9
149.09608	10.3
151.07521	7.0
151.11154	36.8
156.09335	2.0
159.08025	6.5
161.09605	78.0
161.13214	5.7
162.05441	1.7
162.09927	2.5
163.11162	31.2
165.05389	1.4
165.09122	1.7
166.08623	1.7
171.07993	2.8
171.11688	4.3
171.60464	1.3
174.10384	16.9
179.10645	23.3
187.11041	1.4
189.09085	31.3
189.12726	40.3
190.09427	1.3
190.13123	1.5
191.14284	11.4
207.10138	19.2
207.13774	19.4
213.07567	2.3
225.11169	2.5
233.42917	1.2
235.12885	1.2
236.03773	2.9
243.08786	2.0
261.09641	1.8
323.14954	3.8
323.21463	6.0
341.06476	3.3
341.16266	1.7
351.14429	8.3
369.05972	6.2
369.15265	27.1
369.22556	12.3
369.27292	2.6
370.15430	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1328
Annotation	10-Demethoxystegane
Peak:m/z	Relative Intensity
55.01723	0.8
55.01975	0.8
56.86535	0.4
58.48664	0.4
63.58709	0.4
67.05286	0.5
67.05605	0.9
69.03522	0.5
69.07164	0.5
70.06361	0.5
70.06718	1.0
70.45573	1.1
70.45974	0.9
79.05209	0.4
79.05610	1.0
81.03133	0.4
81.03523	0.9
81.07158	0.9
85.02985	0.5
91.05643	1.9
93.07169	0.8
95.01420	0.4
95.05096	0.9
95.08231	0.4
95.08761	1.2
98.20802	0.5
98.97707	0.5
103.05583	0.6
105.03491	0.7
105.07205	2.3
107.04453	0.4
107.05120	1.5
107.08070	0.5
107.08758	1.2
116.98737	0.7
117.07227	0.5
119.05083	0.8
119.08703	1.0
121.06592	0.6
121.10280	0.6
128.06343	0.9
129.07106	0.7
131.04982	0.7
131.97729	0.4
133.02989	0.5
133.06619	0.6
133.10303	1.2
135.04547	0.7
137.09758	0.6
143.08707	0.8
145.06702	1.3
145.10291	0.6
147.04567	0.7
147.11838	0.7
151.04134	0.5
152.06363	0.7
153.07133	0.5
157.06564	0.4
159.04585	0.5
159.08202	0.9
159.11768	0.6
161.06184	0.7
161.09723	1.0
165.06972	2.8
166.07921	1.4
167.07329	0.4
167.08719	1.1
169.06660	0.4
173.06067	0.6
175.03993	0.5
175.07701	1.4
177.07111	0.9
178.07751	2.7
179.07259	0.8
179.08487	2.3
179.10948	0.5
181.06635	1.6
182.07381	0.6
183.06624	0.5
189.07170	1.6
189.09250	0.6
190.07961	1.7
191.08554	3.4
192.05905	0.7
192.09413	0.8
193.06697	0.6
193.10338	0.6
194.07263	4.0
195.08228	1.7
199.07533	2.5
202.07745	4.5
203.08495	3.1
204.09433	0.9
205.06500	3.1
206.07166	2.2
207.08110	3.6
207.09853	0.5
208.05399	0.8
208.09006	1.3
209.06136	1.2
209.09735	1.5
210.06908	0.8
211.07590	0.8
215.08655	0.9
217.06628	0.6
218.07214	3.2
219.08025	7.1
220.08823	3.4
221.06007	2.3
221.09761	1.9
222.06746	4.3
223.07527	3.2
224.08386	0.8
225.09143	0.6
230.07423	1.5
231.08038	5.2
232.08813	2.1
233.06029	2.1
233.09708	1.5
234.06764	2.5
235.07523	6.0
235.11380	0.6
236.08286	2.3
237.05542	1.1
237.09056	4.5
238.06316	1.6
238.10030	0.8
245.09677	0.8
246.06715	0.9
247.07515	5.1
248.08301	5.0
249.05684	1.0
249.09059	3.7
250.06198	3.1
250.09950	1.1
251.06927	4.3
251.10712	1.2
252.07933	1.9
253.08644	0.7
258.06787	0.8
259.07632	1.4
260.08487	1.0
261.05478	0.8
261.09119	2.9
262.06375	1.0
262.10004	1.5
263.07050	3.5
263.10364	2.0
264.07825	3.1
265.08557	12.0
266.06018	0.8
266.09402	2.7
267.06595	0.9
267.10205	0.8
273.09058	0.5
275.07092	1.2
276.07761	2.4
277.08505	2.0
278.05865	1.1
278.09451	1.9
279.06668	2.8
279.10236	4.4
280.07324	1.4
280.10931	1.1
281.07971	0.7
281.11740	0.8
282.08929	1.3
289.05368	0.5
289.08588	0.5
291.06894	0.7
291.10098	11.7
293.08035	5.1
294.08792	5.1
295.06500	0.4
295.09613	2.3
305.08258	0.8
307.09692	4.2
308.10379	1.5
309.11185	11.2
310.11600	0.9
311.09073	1.1
311.12784	1.6
315.12177	0.7
319.09601	7.0
322.08163	2.3
323.09283	2.2
333.13290	0.6
337.10660	100.0
338.11148	8.5
339.12088	2.2
340.12668	0.6
354.10889	1.2
369.05978	0.6
369.13217	23.2
370.13742	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1328
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77610	0.4
55.01880	1.0
57.03474	0.4
58.70103	0.5
67.05501	0.8
70.06602	1.2
70.27048	0.4
79.05478	0.5
91.05493	1.5
95.04952	0.6
105.03346	0.5
105.06995	0.9
107.04966	0.7
115.05460	0.8
121.02869	0.5
121.06480	0.5
128.06259	0.8
131.04900	1.5
133.06474	1.1
133.10159	0.6
137.05963	6.5
145.06509	1.2
147.04369	0.6
149.05983	0.5
152.06161	0.5
153.06982	0.5
159.08095	1.0
161.05995	2.8
165.05859	0.4
165.06943	2.4
166.07809	1.1
167.07193	0.6
167.08595	0.7
175.07564	1.0
177.07097	0.7
177.12744	0.5
178.07799	2.6
179.08525	2.5
181.06602	0.6
183.07953	0.6
185.06039	0.7
187.07535	1.2
189.05493	0.9
189.07025	1.8
189.09050	0.5
190.07796	1.3
191.08519	3.4
192.05748	0.5
192.09378	0.5
194.07295	3.4
195.08051	2.0
199.07631	1.2
202.07742	3.0
203.08495	3.4
204.09271	0.5
205.06438	3.0
206.07239	2.1
207.08066	3.9
208.08759	1.2
209.05972	1.0
209.09618	1.7
211.07506	1.0
215.08566	1.1
218.07246	3.5
219.08020	6.8
220.05258	0.9
220.08804	3.9
221.06007	3.4
221.09549	1.5
222.06718	3.6
223.07478	3.1
224.08301	0.5
225.09142	0.5
229.06537	0.5
230.07274	1.3
231.08049	4.6
232.08754	1.5
233.05949	2.3
233.09486	0.8
234.06743	2.8
235.07471	6.3
236.04874	0.5
236.08228	2.7
237.05486	0.8
237.09076	4.8
238.06281	1.9
238.09856	0.8
239.10986	0.5
245.05911	0.5
245.09778	0.7
246.06702	1.3
247.07494	5.4
248.08311	4.6
249.05437	1.0
249.09074	4.4
250.06215	2.9
250.09846	1.3
251.06992	3.6
251.10660	1.3
252.07797	2.5
253.08517	0.6
258.06784	0.8
259.07593	1.5
260.08368	1.1
261.05460	0.7
261.09094	2.4
262.06165	1.3
262.09875	1.5
263.07037	2.7
263.10669	1.7
264.07834	3.2
265.08582	11.4
266.06195	0.6
266.09247	3.8
267.06586	0.8
273.09122	0.4
275.07040	1.7
276.07782	2.3
277.05798	0.4
277.08459	2.6
278.05960	1.2
278.09412	2.1
279.06549	3.0
279.10132	4.4
280.07233	1.2
280.10754	0.7
281.08139	0.6
281.11694	1.0
282.08582	1.1
283.09454	1.2
291.06940	0.7
291.10098	12.8
292.07324	0.8
293.08017	5.8
294.08838	4.7
295.09735	2.2
295.12860	0.5
304.07358	0.8
305.08279	0.7
306.08688	0.8
307.09619	4.7
308.10278	2.3
309.11176	11.3
309.14542	1.0
310.11819	0.6
311.09164	1.7
311.12674	1.4
319.09586	6.0
322.08215	2.2
323.09088	1.7
323.12714	0.5
325.10776	0.5
337.10669	100.0
338.11176	7.4
339.12228	1.6
341.13885	0.8
351.11816	0.6
351.16058	0.6
369.13275	26.9
370.13593	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1329
Annotation	Morelensin
Peak:m/z	Relative Intensity
55.01842	6.7
55.05504	4.6
57.03424	3.8
65.03933	16.8
67.05500	7.2
69.03400	3.3
69.07058	3.0
70.06570	10.9
71.55398	2.9
79.05481	10.2
81.07030	9.8
82.61101	2.9
83.04966	4.1
84.08133	5.0
91.05508	15.3
93.07041	9.1
94.04159	3.8
95.04951	8.0
95.08617	6.1
103.05439	4.2
105.07015	11.1
107.04928	6.8
107.08580	4.7
110.03638	10.1
110.07148	3.2
111.04420	21.4
115.05442	5.4
118.78935	3.5
119.04935	4.1
119.08555	5.3
122.03639	6.6
123.04412	3.4
125.05978	8.6
128.06175	5.2
131.04927	7.5
132.05728	4.4
133.06487	10.8
137.05974	75.8
145.06467	5.5
147.04410	6.1
147.07996	4.3
149.05954	3.8
151.07529	10.6
153.05461	41.8
158.07352	3.9
159.07997	15.9
160.05237	4.1
161.05975	32.4
162.06795	5.2
163.07550	5.5
165.06964	5.9
165.09106	4.5
166.07684	3.4
167.07063	5.7
167.08565	3.2
169.06508	8.5
170.07425	3.0
171.08044	4.7
175.03976	3.7
175.07501	16.1
177.05508	3.9
178.07748	6.6
179.08569	6.1
181.04977	3.9
181.06439	5.3
183.06439	3.6
184.05251	6.7
185.05986	12.9
186.06720	5.4
187.07510	8.0
189.06972	9.8
190.07776	9.8
191.08519	7.5
193.06471	4.8
195.08075	8.1
198.06776	4.2
199.07518	46.1
202.07756	7.0
205.06485	8.9
206.07234	7.2
207.06451	7.9
207.08101	11.3
208.05234	8.6
208.08769	4.2
215.10641	6.9
216.07773	17.1
218.07207	10.4
219.08066	27.7
220.08842	10.4
221.05965	11.9
221.09683	9.0
222.06776	6.1
225.09114	4.0
227.10503	6.9
229.08530	12.0
231.08015	7.2
233.05956	4.4
233.09532	4.5
234.06799	10.4
235.07538	24.2
236.08296	18.9
237.05341	4.5
237.09084	10.1
237.18408	7.1
241.05986	3.3
245.06062	6.4
246.06738	8.8
247.07512	19.6
248.08311	10.0
249.05519	3.6
249.09045	13.3
250.06253	4.9
251.07027	10.5
251.10660	35.2
252.07799	3.8
253.08740	7.4
259.07645	4.3
261.05627	3.6
261.09003	5.6
262.06308	6.6
263.07037	17.3
263.10641	3.6
264.07797	37.9
265.08450	19.3
275.07050	10.0
276.07797	10.0
277.08539	18.3
278.09323	10.3
279.06671	5.9
279.10132	31.1
281.08084	19.1
281.11429	6.3
283.09650	5.8
285.07520	4.4
289.08371	4.6
291.07144	4.3
291.10168	14.1
292.07162	8.5
293.08139	15.1
294.08795	7.8
295.09558	7.9
296.10452	3.8
306.08942	5.5
307.09634	74.8
308.10400	13.7
309.07767	6.2
309.11209	9.3
311.09317	3.3
311.12711	57.8
315.08511	20.2
319.09705	6.6
319.13211	7.7
321.11310	6.1
323.09171	6.4
323.12964	6.3
324.09769	14.3
336.09875	6.3
337.10706	49.9
338.11301	9.7
339.12247	100.0
339.16153	7.2
351.12201	12.8
351.15994	7.2
352.24756	5.5
369.09192	3.7
369.13312	47.2
369.17365	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	369.1329
Annotation	10-Demethoxystegane
Peak:m/z	Relative Intensity
55.05505	6.4
58.06578	4.5
65.03930	15.2
67.05492	12.0
69.03431	4.2
69.87445	6.3
69.87856	14.9
70.06570	6.8
78.74215	3.5
79.05479	8.7
81.07033	5.5
83.05002	3.2
85.02901	5.9
88.80239	3.2
91.05466	12.0
93.07040	9.3
95.01314	5.4
95.04945	8.7
95.08555	4.4
100.11242	10.7
105.06994	5.8
107.04919	9.0
107.08550	4.2
109.95380	2.9
110.03641	17.0
111.04437	21.8
119.08543	5.5
123.04427	4.7
125.05972	17.0
129.06969	6.1
131.04893	4.6
137.05972	15.2
140.10692	4.0
144.05693	3.8
145.06471	7.0
145.83319	3.1
147.04346	3.8
147.08032	5.3
147.11690	3.4
153.05441	51.7
159.08022	10.7
160.05168	3.7
161.05965	13.4
168.10129	3.8
169.06541	6.8
175.07521	14.7
178.07745	7.6
179.08447	3.3
183.06480	7.3
184.05215	6.5
185.06018	12.0
186.06757	6.5
189.07013	6.0
190.05515	3.3
190.07704	7.2
191.08554	8.5
195.08023	4.5
198.06778	5.1
199.07527	44.4
201.05505	3.3
203.08659	7.1
205.06511	6.6
206.07317	4.0
207.06314	5.8
207.08084	9.4
208.08788	7.5
214.06281	3.3
216.07771	22.2
218.07285	11.6
219.08011	24.8
220.08792	12.5
221.06015	10.0
221.09662	4.1
222.06850	5.3
229.08539	11.0
229.74524	3.2
231.08006	4.7
234.06703	10.1
235.07460	22.1
236.08257	22.4
237.08972	6.2
246.06723	5.0
247.07401	15.2
248.08195	6.5
249.05502	4.4
249.09126	10.3
250.06189	3.7
251.06966	6.7
251.10645	31.0
253.08574	5.7
259.07535	3.2
261.09100	6.7
262.06180	4.7
263.07019	8.8
264.07776	28.5
265.08469	18.0
266.05933	4.0
266.09271	4.1
267.10236	5.6
276.07791	8.6
277.08502	11.0
278.09338	12.2
279.10074	22.9
281.07993	9.0
289.08246	3.0
291.06622	4.5
291.10098	8.9
292.07178	5.4
293.08032	13.5
294.08853	9.4
295.09662	3.6
296.10480	4.0
305.08160	7.1
306.08771	3.5
307.09595	68.2
308.10309	12.6
309.07782	3.9
309.11148	12.5
311.12735	60.8
319.09442	4.8
324.09982	13.1
337.10773	43.3
338.11075	5.6
339.12231	100.0
340.12540	4.8
341.13742	4.6
369.13446	31.8
369.29623	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	368.2423
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.9
55.01859	3.6
55.05236	1.3
55.05504	22.3
56.05017	1.3
56.19011	0.7
57.03424	5.1
57.07063	1.6
58.06594	5.3
59.04983	1.0
60.04229	1.4
60.04521	22.2
65.03945	0.8
67.05499	23.3
68.05018	1.5
68.05819	1.3
69.03426	5.1
69.07059	16.7
70.06574	3.2
71.04986	10.0
71.14756	1.8
72.04504	1.5
72.08137	1.0
79.05485	20.1
80.04999	3.0
80.05813	1.1
81.03402	3.2
81.06606	1.4
81.07049	21.5
82.06586	1.8
82.07372	2.3
83.04974	3.9
83.08614	13.8
84.08138	8.9
85.06527	4.2
85.10129	1.1
86.09696	30.4
88.07607	3.4
91.05473	11.3
93.05795	1.1
93.06447	1.2
93.07036	19.9
94.06541	3.0
94.07330	1.0
95.04955	8.8
95.08597	11.9
96.07510	0.9
96.08108	3.5
97.06516	3.5
97.09570	1.5
97.10156	19.3
98.09616	0.9
100.07581	2.6
101.05983	1.0
105.07024	11.0
106.06577	1.0
107.04942	3.6
107.07349	0.8
107.08588	11.7
108.05299	0.9
108.08097	2.3
108.08848	1.0
109.06503	4.2
109.10126	4.7
110.06008	3.2
110.09666	1.1
111.08075	2.7
112.07590	26.1
113.06035	1.5
114.09135	1.2
117.07011	5.0
118.06580	0.9
119.08578	5.8
120.08071	1.3
120.08869	1.4
121.06473	2.7
121.10121	10.7
122.09647	7.5
122.10460	1.3
123.08039	3.6
123.11703	1.3
124.07580	1.8
125.09615	14.6
126.09115	1.3
126.71844	0.7
128.10703	29.5
129.06982	1.9
130.08614	2.3
131.08543	4.8
132.08910	0.9
133.10086	4.5
134.09581	1.0
135.08015	4.1
135.11725	2.6
135.14789	0.8
136.11182	2.1
137.09586	1.5
138.09097	0.8
138.12766	3.7
143.08549	2.1
145.06477	1.7
145.10175	4.7
146.09584	1.2
147.07994	1.1
147.11641	2.0
148.11124	1.5
149.09599	3.0
149.13211	1.1
153.09023	0.8
154.08598	9.6
156.10197	2.0
157.10071	2.3
159.10480	0.8
159.11694	2.8
161.09587	2.1
161.13254	1.5
163.11157	1.1
165.12701	1.3
169.10132	1.2
171.10126	1.2
172.09685	11.3
173.11740	0.9
173.13234	1.5
175.03728	0.9
175.11179	1.3
177.12714	2.2
180.13826	14.8
181.00966	0.8
181.38217	0.8
187.11118	2.1
189.11201	10.1
195.13849	1.3
204.13831	0.9
205.12228	0.8
217.23033	0.8
221.15364	3.5
222.14893	1.1
223.13271	4.7
246.23132	0.8
263.44730	0.7
272.19992	2.2
273.18356	5.6
276.20313	5.6
277.21558	2.4
290.21127	9.6
291.19443	5.5
295.22678	1.8
308.22168	14.4
332.22299	2.3
350.23239	20.9
351.23550	1.3
358.67062	0.9
368.24289	100.0
369.24551	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	368.2792
Annotation	(5Z,8Z)-tetradecadienoylcarnitine
Peak:m/z	Relative Intensity
52.45506	0.3
53.03946	0.4
55.05505	4.9
57.03437	0.5
57.07073	2.3
60.04517	63.1
60.08154	0.4
65.03928	0.4
66.50838	0.4
67.05497	17.0
69.07063	4.3
70.02949	1.1
71.08624	0.9
71.63651	0.5
79.05484	5.2
81.07048	18.0
83.08607	3.0
85.06551	0.6
85.10165	0.4
88.03983	21.1
91.05458	3.7
93.07034	5.1
95.04955	0.8
95.08601	14.8
97.06539	1.4
97.10160	1.7
99.08059	0.3
105.07003	2.0
106.05014	100.0
107.05370	0.5
107.08581	2.9
109.10143	6.6
111.71238	0.4
112.11220	1.0
119.08564	2.2
121.10110	2.7
123.11678	2.9
133.10109	2.1
133.31299	0.4
135.11658	0.9
137.13239	1.0
147.11635	1.2
149.13239	1.3
161.13266	1.4
162.17462	0.3
163.14799	1.1
175.14796	1.2
178.92598	0.3
184.09746	0.4
189.16301	0.5
196.27040	0.3
245.22617	3.9
263.23685	2.8
283.26184	0.9
294.31479	0.4
299.14746	0.4
300.97186	0.4
309.27829	3.2
312.32462	1.1
322.27371	0.8
350.26959	2.2
368.28040	1.8
368.34857	2.5
368.38788	1.4
368.42529	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.2421
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92765	2.9
55.01856	9.0
55.05499	22.3
56.05026	2.3
56.96544	3.5
57.03418	6.0
58.06340	2.9
58.06598	26.0
60.04522	34.8
65.03945	2.7
67.05498	30.7
68.05008	11.8
69.03416	6.0
69.07059	32.4
70.06574	7.2
70.08507	15.3
71.04984	7.0
71.08604	4.7
72.08138	5.7
79.05479	31.7
80.05827	4.6
80.19952	2.6
81.03414	5.8
81.07047	40.1
82.06561	6.6
82.07375	6.9
83.04976	8.5
83.08602	8.4
84.08135	9.3
85.06512	3.8
86.09685	22.5
88.07590	2.9
91.05463	32.1
93.07028	32.9
94.06571	3.0
95.04948	11.3
95.08606	26.0
96.08121	100.0
97.06503	26.6
97.08905	4.5
97.10156	6.5
98.09754	2.9
99.08100	4.8
100.07586	14.4
105.06998	20.1
107.04929	8.7
107.08572	19.7
109.06519	8.1
109.10146	12.1
110.09683	5.9
110.10478	3.0
111.08048	12.6
112.07608	9.5
114.09160	22.9
117.07001	9.7
119.04867	3.0
119.08580	15.5
120.08874	2.9
121.06493	6.1
121.10109	12.1
122.10468	2.7
123.08057	5.3
123.11649	2.5
125.05973	3.6
125.09631	3.0
128.10715	18.4
129.06990	3.9
130.08603	3.1
131.08539	13.7
133.10071	18.4
134.10466	4.7
135.08051	8.6
135.11684	6.5
137.09686	4.5
138.09109	10.6
143.08528	4.5
145.10080	10.3
147.08020	5.6
147.11688	6.9
149.09578	7.3
149.13223	5.5
153.09100	2.7
156.10210	47.7
157.10242	4.9
159.11687	6.6
161.09543	6.4
163.11214	4.8
165.12827	3.4
170.11795	7.7
171.11714	4.6
175.03860	3.2
175.11151	3.6
177.12794	4.1
183.11743	2.7
194.16605	2.8
213.12714	2.6
237.16528	2.8
245.18903	3.9
255.17326	7.4
263.19977	3.1
273.18445	49.4
275.19937	3.4
276.20425	9.9
290.20990	15.6
291.19412	28.2
308.22128	17.2
350.23489	14.9
368.24426	51.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.1911
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	5.5
55.01859	5.9
55.05492	3.8
57.03420	8.0
59.59558	1.7
60.04510	2.2
61.02909	6.1
65.03955	1.9
68.99790	2.9
69.03422	37.8
70.06569	8.6
71.04978	4.5
71.76044	3.8
73.02904	6.9
79.05486	4.2
81.03402	18.5
81.07048	4.8
83.01345	2.0
83.54000	2.1
84.08121	3.0
85.02897	100.0
86.09660	3.8
87.00816	37.0
89.26157	1.8
91.03934	2.7
91.05447	4.0
95.04968	2.1
95.08627	4.1
96.08125	3.1
97.02876	31.1
99.04451	11.7
99.42690	2.1
100.11289	2.2
103.05434	3.8
105.01854	60.5
105.07027	2.9
109.02854	23.6
110.07190	2.8
114.09158	14.7
115.03880	1.9
115.05429	2.1
120.08076	2.4
122.03574	3.4
127.03899	64.0
127.04844	3.1
129.01833	3.3
131.04933	3.5
133.06508	4.8
137.05948	22.9
145.04950	22.7
149.05965	4.5
156.13823	4.9
159.02856	12.9
161.05974	14.6
162.06760	3.1
171.62900	2.0
175.07553	2.9
177.05481	4.1
187.07564	4.9
189.03841	3.2
189.09117	2.3
197.09148	1.8
202.07787	2.6
219.08051	4.5
221.09337	2.4
222.06502	2.1
223.07353	2.4
231.04990	14.3
231.07973	2.9
233.09518	2.5
235.07538	3.3
237.08954	2.8
248.08481	2.3
249.05765	4.0
249.08907	2.5
262.09528	2.8
265.08667	4.6
269.22287	2.6
277.08435	2.9
279.10144	2.5
291.10034	5.1
294.08783	2.8
309.11212	5.8
326.13730	5.5
337.10638	29.9
339.12091	2.0
350.14453	3.0
351.16071	3.5
368.15710	9.1
368.20071	2.2
368.29089	6.2
369.13147	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	368.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.5
54.08775	0.4
55.01868	0.5
55.05501	1.5
56.05033	2.3
57.03423	0.9
60.04530	1.0
61.02918	0.8
67.05502	3.5
68.05007	1.0
69.03415	1.1
69.07059	1.7
70.06585	3.2
71.04974	1.1
71.72736	0.5
72.08138	1.9
73.02902	0.6
79.05491	2.8
81.03396	1.5
81.04526	1.9
81.07052	4.2
82.05323	1.6
83.04979	0.7
83.06098	20.1
84.04494	1.1
84.08122	1.2
85.02901	2.7
85.06522	0.6
86.09691	1.0
91.03960	0.9
91.05470	3.1
93.03958	0.8
93.04520	11.8
93.07032	2.7
95.05054	0.9
95.06084	17.8
95.08576	2.2
97.02890	1.0
97.06527	1.2
99.04438	0.7
103.05471	0.5
105.07029	3.4
107.06072	2.0
107.08577	1.8
109.02875	0.6
109.06505	0.7
109.07579	0.6
109.10154	1.0
110.07153	84.6
111.05553	2.9
111.07463	1.2
112.08713	2.6
113.07108	1.5
114.10307	1.4
117.07023	0.5
118.06570	0.5
119.04948	0.8
119.05984	1.1
119.08565	1.3
120.05567	2.7
120.08059	0.5
121.07610	1.3
121.10114	0.9
130.04984	0.6
130.06532	0.8
131.06052	0.4
131.08536	1.3
133.06407	0.6
133.10094	2.8
135.08034	0.5
135.11697	0.7
136.07562	0.9
138.06638	0.5
139.05002	0.6
145.04953	0.5
145.10149	0.7
147.08006	0.9
149.09590	0.5
151.11150	1.1
156.07695	5.0
159.11752	0.6
160.28177	0.4
161.05988	0.8
161.09550	2.2
163.07532	0.5
163.11197	1.0
166.06104	0.8
175.03877	0.6
179.10603	0.6
189.09155	0.8
189.12743	0.7
207.13785	0.9
259.18039	3.6
265.19037	0.5
277.19113	10.1
278.19351	0.6
286.19165	1.7
287.17630	0.6
295.20172	0.6
304.20178	6.1
307.20053	1.2
322.21231	35.7
323.19193	0.7
323.21570	1.5
324.22760	1.5
326.04092	0.5
333.17899	0.6
333.21643	0.5
341.06354	0.9
350.20718	1.1
350.27756	0.6
351.18698	0.5
352.18481	0.4
368.21774	100.0
369.05939	3.1
369.15256	1.1
369.21954	9.4
374.56995	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.1666
Annotation	Unknow
Peak:m/z	Relative Intensity
62.45891	0.3
70.06585	39.2
71.06927	0.4
71.71925	0.3
71.72313	0.3
72.08150	1.3
75.97058	0.2
78.06477	0.3
79.95612	0.3
89.44414	0.3
98.06027	0.3
110.82218	0.3
114.89342	0.3
115.02468	0.3
115.20641	0.2
116.07081	7.5
117.03992	0.5
128.05550	1.5
130.07152	0.3
138.04005	1.1
146.06625	2.0
148.08228	0.4
154.42175	0.3
156.05045	12.1
157.05197	0.4
158.06642	0.8
160.04550	0.5
172.04526	0.8
174.06105	2.7
177.08672	0.3
179.06691	0.5
179.10294	0.4
184.04622	0.4
185.04141	0.5
186.04488	0.7
189.08702	1.0
190.05617	0.6
192.07159	1.0
199.12846	0.4
202.05600	0.4
203.05246	0.9
204.05632	1.0
205.05707	1.1
206.06047	1.1
207.09775	9.4
208.09930	0.6
209.11348	1.6
217.08199	2.2
218.08228	0.3
223.09212	1.1
224.50955	0.4
225.10814	3.7
227.12430	0.7
230.11420	0.3
235.09247	13.3
236.09415	0.5
241.10286	0.8
242.10278	0.4
243.11900	4.9
245.13377	0.8
253.10303	15.7
254.10408	1.5
269.09723	1.0
271.11365	100.0
272.11563	6.7
276.11758	0.5
289.12384	7.2
290.12616	0.7
292.86182	0.3
294.12970	5.6
295.12885	0.5
368.11197	8.2
368.16544	5.6
369.11319	0.6
369.16675	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.1337
Annotation	Unknow
Peak:m/z	Relative Intensity
57.08410	0.7
58.33456	0.6
59.42065	0.8
60.04528	1.0
69.03397	1.1
70.06580	4.0
71.74169	0.9
72.08142	1.5
81.03410	1.4
84.04494	2.1
84.08141	3.4
85.02875	1.5
86.09703	1.4
91.05471	6.9
92.55530	0.7
97.66168	0.8
110.07148	2.7
117.54731	1.1
118.76975	0.9
119.04927	17.5
119.05721	1.4
120.08146	1.3
129.10254	1.2
136.06140	1.1
136.07553	5.0
145.02852	1.6
147.04398	100.0
148.04802	1.4
156.07692	2.3
159.07635	1.0
165.05421	2.2
177.05441	1.8
182.08153	3.5
187.07167	1.1
198.23816	0.9
206.04457	1.0
206.08179	3.2
248.96944	0.8
289.01694	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.1337
Annotation	Unknow
Peak:m/z	Relative Intensity
55.43691	0.4
56.05027	1.2
57.03401	0.4
60.04516	8.5
61.02897	0.5
63.33154	0.4
65.03917	0.8
69.03419	2.6
69.07061	0.5
69.57748	0.4
70.03789	0.4
70.06583	4.9
70.07517	1.8
70.07888	0.9
72.08131	1.5
73.12269	0.4
74.06048	0.7
78.21902	0.4
81.03404	3.0
81.25919	0.4
84.04478	1.9
84.08130	2.9
85.02885	1.3
85.55984	0.4
86.09692	2.0
91.05464	8.0
96.04445	0.5
97.02882	1.0
98.20768	0.6
102.05521	0.6
109.02860	1.2
110.07134	2.6
112.08720	0.5
119.04923	21.4
120.05235	0.5
120.08070	1.1
122.06077	0.4
127.03937	2.2
127.04707	0.5
129.10210	1.4
136.06169	0.8
136.07579	0.6
143.08182	0.6
145.02844	0.8
147.04385	100.0
148.04720	1.9
150.05487	1.8
160.03934	1.8
162.05476	0.9
165.05466	0.8
167.03607	0.5
168.06589	0.6
177.05417	1.8
206.04362	0.7
206.08141	1.0
234.98940	0.7
237.13562	0.7
284.22244	0.4
291.08627	1.9
309.09644	2.7
368.04007	0.5
368.13889	0.5
368.22986	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2629
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04318	9.6
55.05501	22.9
57.07073	16.9
62.59062	8.9
66.03323	9.5
66.86721	8.9
67.05496	41.9
69.07055	29.4
70.56696	41.4
79.05470	49.3
81.07047	46.8
84.38871	9.2
91.05470	57.1
93.07040	89.2
95.04969	38.4
95.08602	49.6
105.07010	71.1
107.08553	60.5
109.10165	45.6
111.92946	10.2
119.08575	100.0
121.06525	11.3
121.10139	38.4
123.11678	18.8
129.06972	22.7
131.08545	56.8
133.10104	56.2
135.08044	20.7
135.11674	21.8
143.08556	29.9
145.10104	75.5
147.08034	12.1
147.11731	21.8
149.09581	21.9
156.09364	19.1
157.10158	51.2
159.11711	33.9
161.09616	36.9
169.10103	14.8
171.11708	15.5
173.09676	16.5
173.13277	26.7
175.11201	11.3
175.14793	14.4
181.10004	11.1
183.11679	34.2
185.13274	20.9
187.14857	13.1
193.10167	14.0
194.10805	13.5
195.11682	13.7
197.13263	14.1
199.14806	16.1
209.13252	23.8
211.14877	18.3
222.03488	11.5
374.23294	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	368.0974
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45426	0.3
51.81658	0.2
52.02384	0.2
53.03942	0.4
57.03432	0.6
61.02905	0.9
64.38020	0.2
69.03423	2.2
70.74386	0.4
70.74723	0.5
73.02901	0.5
76.66543	0.2
81.03420	1.3
85.02892	5.7
87.04459	0.5
91.03932	0.4
97.02877	1.7
98.55561	0.3
99.04459	0.3
109.02857	0.7
123.46264	0.3
127.03902	1.5
132.04436	6.8
145.04956	1.3
160.03871	0.5
178.04976	64.1
179.05299	1.7
189.07333	0.3
206.04465	100.0
207.04793	2.4
234.77641	0.3
368.09512	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2472
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	7.1
55.01856	12.7
55.05504	36.6
57.03428	17.0
57.07069	2.5
65.03925	6.7
67.05139	4.0
67.05497	79.4
69.03412	9.6
69.07057	30.5
70.70782	4.8
71.01347	2.7
71.04996	4.4
71.08604	4.4
79.05482	61.2
81.03404	5.6
81.07045	100.0
82.07391	2.3
83.01328	3.8
83.04977	11.2
83.08602	15.7
85.06537	3.7
91.05466	55.7
93.07030	52.1
95.04951	33.1
95.08592	49.3
97.02907	3.4
97.06495	13.6
97.10153	7.7
99.08065	6.4
105.07016	52.2
107.04928	12.1
107.08580	31.6
109.06499	16.2
109.10146	25.5
111.04394	1.7
111.08056	5.9
113.06013	2.7
115.05437	7.3
117.06999	23.0
119.04920	2.4
119.08557	38.4
121.06496	5.8
121.10138	22.1
123.08047	6.4
123.11679	9.0
125.02335	6.8
125.09610	5.6
126.54948	1.8
128.06210	7.6
129.06992	14.4
130.07813	2.6
131.04898	11.3
131.08534	27.5
133.06438	7.3
133.10106	30.0
135.04407	4.3
135.08028	10.3
135.11667	13.0
137.09589	8.1
139.11227	2.0
141.06958	4.3
142.07739	2.5
143.04903	4.1
143.08568	8.9
145.06471	7.7
145.10101	21.7
147.04306	2.3
147.11668	23.6
147.12740	2.9
149.02293	6.1
149.09576	11.2
149.13257	8.7
151.11172	5.1
155.08549	6.4
157.06444	5.6
157.10080	9.7
158.07204	2.1
159.04378	6.9
159.08032	10.1
159.11682	14.1
160.64790	1.8
161.09639	3.2
161.13219	4.3
163.03860	21.6
163.11191	9.5
165.06924	2.8
165.12694	4.6
167.24402	1.8
169.06516	3.3
169.10135	4.8
171.04373	2.4
171.08023	5.4
171.11664	6.4
173.05992	4.4
173.09575	5.8
173.13206	6.0
175.03914	4.7
175.11130	4.8
177.05397	2.9
177.12720	4.8
181.04961	4.4
181.06418	2.8
183.07951	3.2
183.11636	4.0
185.05983	5.2
185.09624	3.7
187.03902	25.2
187.07484	6.8
187.11296	3.3
189.05424	8.2
189.11192	2.9
191.06941	3.1
191.14331	3.0
194.92659	2.0
195.08058	3.6
195.11658	2.1
197.05946	2.3
197.09653	2.2
197.13220	2.6
198.06653	2.5
199.03894	38.3
199.07545	4.4
199.11148	4.0
199.14781	2.5
201.05453	10.7
201.09099	5.1
203.06995	8.0
205.15732	2.4
206.93584	1.8
211.07477	10.2
212.04712	3.6
212.07997	2.1
213.05466	23.1
213.08952	3.1
215.06985	9.5
215.17873	2.0
217.04927	5.3
217.08592	2.0
223.11122	2.4
225.05489	7.7
225.09033	3.6
225.12721	1.9
226.06081	4.8
227.06999	14.7
227.10587	2.7
229.08569	19.0
229.19516	4.5
231.10110	2.3
237.08934	2.8
239.07025	11.3
239.17969	3.9
241.08574	25.3
243.10207	3.7
247.20593	5.9
251.07069	3.0
251.10948	2.1
253.08583	7.3
255.10112	7.9
257.11755	2.1
257.18918	6.0
267.10223	7.2
269.11847	2.9
269.17477	3.6
275.20032	53.0
279.09866	2.0
283.13345	3.2
293.21060	20.5
311.12823	2.5
339.19495	5.7
342.63113	2.0
349.17914	12.4
349.23798	11.2
350.18375	2.2
367.18951	95.7
367.24557	33.9
368.19150	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	367.2475
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99392	2.2
55.01846	2.4
55.05508	23.6
57.03416	6.9
59.04977	2.7
67.05501	20.0
69.03409	3.8
69.07063	18.7
71.05032	3.6
71.08620	46.6
71.58518	2.5
71.74794	3.0
79.05495	15.3
81.03406	6.2
81.07050	16.0
81.91916	2.6
83.04974	4.5
83.08595	8.5
91.05447	7.7
93.07027	11.0
95.04958	6.9
95.08575	7.5
97.10160	11.9
99.08088	31.8
100.07626	4.3
105.07014	6.4
107.08573	9.3
109.10129	7.6
117.06985	3.5
121.06478	4.8
125.09620	10.2
131.08577	4.4
135.08073	4.0
135.11682	3.2
139.11172	3.5
140.34198	2.3
149.13240	4.0
151.11096	3.0
161.09669	2.8
175.03868	2.6
177.12668	3.3
189.11224	8.6
205.19568	4.5
247.09663	3.1
275.20056	9.1
293.21085	100.0
294.21414	3.2
322.27530	3.1
350.26883	3.5
367.20825	5.6
367.24765	27.3
379.47818	3.0
383.94635	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	367.2475
Annotation	(-)-Isomuronic acid
Peak:m/z	Relative Intensity
53.03918	1.7
55.01859	5.3
55.05504	25.9
57.03436	6.8
57.07055	2.1
59.04974	2.0
60.45259	1.4
61.65329	1.2
67.05500	18.2
69.03411	2.2
69.07063	21.7
71.08621	25.7
71.74992	1.9
78.78558	1.4
79.05477	14.3
81.03396	3.6
81.07042	15.5
83.04970	4.2
83.08601	8.5
91.05472	8.6
93.07033	11.1
94.27084	1.5
95.04960	5.0
95.08599	5.8
97.10147	8.2
99.08083	21.8
105.07006	5.2
107.04954	4.4
107.08575	8.7
109.06514	1.9
109.10148	7.8
111.08093	2.3
117.06985	2.8
119.08556	3.1
121.06467	2.9
121.10112	3.6
125.09626	8.7
131.08546	2.8
133.10094	2.2
139.11166	3.2
151.11198	2.3
151.47227	1.4
165.12718	2.6
167.10655	3.9
175.03854	2.3
177.12692	2.9
189.11256	4.6
238.68520	1.3
247.92667	1.7
275.19986	11.0
288.64871	1.4
293.21060	100.0
294.21362	4.0
349.23557	1.8
367.24716	24.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2476
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.2
55.01865	31.4
55.05506	76.1
55.10754	2.2
56.96552	5.9
57.03193	2.8
57.03431	31.2
57.07065	2.8
59.04982	4.1
59.32593	1.9
61.23400	1.8
65.03918	2.6
67.05500	99.0
67.31334	1.9
69.03439	11.6
69.07068	45.2
70.34882	9.3
71.04987	14.4
77.03951	3.3
79.05027	4.3
79.05489	83.6
81.03414	15.1
81.07048	85.7
82.07358	2.4
83.04971	49.7
83.08612	45.9
85.02897	13.6
85.06546	4.2
91.04913	4.3
91.05467	64.3
91.06033	3.2
93.07037	81.2
95.04965	84.0
95.08595	49.1
96.08890	2.1
97.06525	24.3
97.10159	25.0
98.20824	3.1
99.04440	24.9
99.08080	3.4
105.06329	3.4
105.07019	54.9
107.04946	17.6
107.08588	74.9
109.06512	17.5
109.10152	33.3
111.04431	56.4
111.08075	14.3
115.05469	2.9
116.81089	2.2
117.07026	19.9
119.08577	37.1
121.06510	10.4
121.10136	54.0
123.08090	10.3
123.11715	10.2
125.05973	5.9
125.09617	23.0
129.05502	2.9
129.06990	9.5
131.08557	31.2
132.08838	2.3
133.06470	2.4
133.10132	33.2
135.08063	13.5
135.11662	23.3
137.09584	7.8
139.11156	9.7
141.06943	2.5
143.08536	7.6
143.10750	2.1
145.06491	4.1
145.10115	39.4
147.08046	9.1
147.11659	26.3
149.09607	51.9
149.13220	5.5
151.11169	7.1
153.09106	4.1
153.12711	9.6
155.08531	3.4
157.10114	8.4
159.11670	18.9
161.09602	5.4
161.13231	6.9
163.11171	49.4
165.12726	8.2
167.10674	4.0
169.10136	5.8
171.11658	4.8
173.09596	3.8
173.13219	7.2
175.11208	5.6
177.12738	9.6
179.10658	2.7
181.12207	8.2
183.11691	5.6
187.11143	4.6
187.14746	2.3
189.11224	15.4
191.06955	2.5
191.10619	3.0
193.12241	6.7
193.76768	2.4
197.13264	5.4
199.03839	2.5
205.12250	12.8
207.13731	3.3
211.13213	3.6
215.17961	2.4
223.13278	73.4
229.19466	5.5
231.09235	3.0
239.17888	6.3
241.08669	2.7
245.13872	2.6
247.08498	5.0
247.20590	6.1
257.18994	14.2
269.10596	3.7
275.20050	100.0
276.20358	5.0
293.21198	32.4
343.97522	2.0
349.16797	4.3
349.23816	8.7
367.07803	2.6
367.17877	23.4
367.24814	43.7
368.18341	3.7
368.24866	3.3
385.18799	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2475
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	5.7
55.05506	22.6
57.03420	8.5
57.07042	4.5
60.85357	2.5
67.05498	22.3
69.03423	3.5
69.07051	21.3
71.04955	2.7
71.08253	2.9
71.08626	43.8
71.74922	4.0
71.80329	2.3
73.22123	2.4
79.05480	19.1
81.03415	4.4
81.07044	16.5
83.04970	4.1
83.08601	10.1
90.94809	2.7
91.05456	6.7
93.07030	14.9
95.04944	5.9
95.08580	9.2
96.87559	2.6
97.10149	10.3
99.08085	23.3
105.07006	6.1
107.04945	4.7
107.08598	13.0
109.10131	5.8
111.04490	3.1
111.08066	3.1
117.07025	2.8
119.08598	2.8
121.06500	4.4
121.10110	3.8
125.09592	9.0
133.10098	3.5
135.08057	2.7
163.11330	2.7
167.10576	2.8
175.03818	4.0
177.12674	3.5
189.11182	8.1
205.19539	6.5
260.58899	2.6
275.20053	8.5
293.21069	100.0
294.21399	3.7
350.26996	3.8
364.28986	2.5
367.20703	9.7
367.24756	24.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2474
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	4.7
55.01869	7.6
55.05508	15.8
57.03429	14.6
65.03923	3.1
67.05500	42.9
69.07063	27.6
71.04982	4.2
71.38327	2.8
79.05482	35.6
81.03410	1.8
81.07050	100.0
83.04967	4.4
83.08611	10.9
85.06546	1.7
88.95702	1.0
91.05475	25.8
93.07035	27.6
95.04950	8.0
95.08595	23.8
97.06512	8.4
97.10146	1.8
99.08081	4.2
105.07025	21.6
107.04948	5.4
107.08585	14.0
109.05830	1.8
109.06517	17.9
109.10137	9.2
109.17496	1.2
111.08075	4.2
113.05970	1.4
117.07006	7.1
119.08564	16.8
121.06506	3.0
121.10144	11.9
123.08065	5.1
123.11710	7.8
125.09624	1.3
129.06992	3.5
131.08554	9.5
133.10110	13.3
135.08089	3.4
135.11676	4.3
137.09605	4.3
143.08551	1.4
145.10126	6.9
147.11664	19.2
149.09625	7.2
149.13246	8.7
151.11172	2.8
157.10100	4.1
159.11682	6.3
160.60716	1.1
161.09612	1.2
161.13225	2.8
163.11151	4.1
163.14803	2.3
165.12776	5.9
167.14282	1.2
169.10138	1.5
171.11766	1.6
173.13246	3.1
175.11206	3.3
176.02295	1.2
177.12709	2.4
179.14232	1.6
187.14825	1.8
193.12315	2.4
195.13782	2.2
221.86578	1.2
224.96063	1.1
229.19440	1.7
239.18024	2.6
247.20651	3.0
257.18927	3.0
275.20032	27.2
276.20352	1.8
293.21072	6.6
321.79535	1.2
349.23648	4.1
367.24802	22.3
368.24866	2.0
380.98761	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2476
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65745	1.0
53.03947	2.3
55.01865	5.5
55.05508	15.7
56.96549	3.8
57.03423	3.9
57.07062	3.1
59.04966	1.0
65.03931	1.3
67.05140	1.6
67.05501	31.2
69.03423	2.2
69.07069	13.6
70.93202	3.5
71.04990	2.4
71.08617	3.1
72.55279	1.1
79.05486	29.3
79.86195	1.2
81.03401	1.9
81.07050	42.3
82.07359	1.4
83.04965	4.9
83.08606	8.0
85.06516	2.4
91.05472	25.4
93.07038	29.1
95.04969	9.8
95.08595	20.8
97.06524	5.7
97.10178	4.0
99.08073	2.8
105.04464	1.2
105.07018	30.0
107.04949	9.6
107.08589	18.9
109.06503	14.6
109.10136	10.9
111.04402	1.4
111.08063	2.7
117.07032	10.1
119.08569	18.1
121.06496	11.7
121.10128	10.1
123.08051	6.4
123.11700	3.3
125.09603	2.8
129.07011	3.5
131.08557	20.5
133.06535	2.8
133.10126	17.0
135.08058	4.7
135.11684	6.1
137.09613	2.8
137.24973	1.1
141.06955	1.5
143.08572	4.0
145.06473	2.1
145.10112	14.3
147.08060	4.0
147.11690	13.1
149.09601	11.3
149.13260	3.2
150.99649	1.2
151.11179	4.5
155.08595	1.6
157.10155	4.2
159.08037	1.5
159.11670	11.6
161.09615	3.9
161.13260	4.3
163.11159	7.3
165.12769	1.7
169.10115	1.3
171.11699	3.4
173.09668	3.6
173.13200	6.3
175.11197	3.7
175.14792	1.8
177.12727	4.3
179.14238	1.4
183.11722	2.1
185.13350	1.2
187.11197	2.2
187.14841	2.2
189.11211	1.3
189.12761	2.4
191.10477	1.1
191.14275	3.1
197.13287	2.4
201.12677	2.3
201.16333	1.5
207.13882	1.9
213.08009	1.9
215.14343	1.3
215.17987	1.4
217.07436	1.6
219.13881	1.4
229.19560	2.1
231.09059	2.5
239.17943	3.6
243.09061	10.7
244.64131	1.2
247.20497	7.1
257.18973	14.6
258.19226	1.8
261.10043	9.7
275.20032	100.0
276.20422	5.8
292.39297	1.3
293.21066	14.6
319.17395	1.3
349.23776	29.4
350.24078	2.6
367.17920	2.4
367.24832	23.1
368.24957	1.8
374.40305	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2476
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.8
55.01868	7.0
55.05505	19.7
57.03432	12.6
57.07061	2.0
59.04972	0.6
62.55554	0.5
65.03928	2.1
66.63621	0.5
67.05496	43.0
68.05833	0.9
69.03413	1.9
69.07060	32.5
69.70686	2.4
69.71111	1.7
71.04984	4.1
71.08634	0.8
77.03903	0.6
79.05484	39.0
80.05837	0.8
81.03419	3.5
81.07046	100.0
82.07375	1.4
83.04971	5.7
83.08606	15.0
85.06538	2.8
91.05466	28.2
92.05792	0.6
93.07031	26.4
94.07367	0.9
95.04394	1.0
95.04959	13.3
95.08594	27.5
96.08901	0.5
97.06519	10.9
97.10165	1.8
98.21462	1.0
99.08076	3.7
103.05495	0.7
105.07019	26.4
106.21839	0.5
107.04943	8.4
107.08582	16.0
109.06504	19.4
109.10144	10.4
111.08064	5.2
113.06004	1.0
115.05406	1.0
117.07001	7.5
119.08566	18.4
119.09417	1.1
121.06476	4.9
121.10136	13.8
123.08057	7.8
123.11692	7.6
125.05980	0.5
125.09618	2.9
127.07567	1.2
129.06982	2.8
130.07762	0.7
131.08543	11.4
131.09450	0.8
133.06519	1.3
133.10115	15.2
134.10457	0.6
135.08064	4.3
135.11661	5.9
137.09610	4.1
137.13252	0.7
139.11163	1.0
141.06967	1.2
142.07750	0.5
143.08553	2.3
145.06444	1.0
145.10104	10.4
147.08072	1.5
147.11661	18.7
149.09610	7.9
149.13239	8.2
150.75026	0.5
151.11166	2.5
154.07735	0.5
155.08588	1.4
157.10126	4.2
159.11684	8.8
161.09660	1.7
161.13214	4.4
163.11143	7.9
163.14796	2.4
165.12743	6.7
167.14342	0.9
169.10156	1.2
171.11705	1.8
173.09647	1.6
173.13216	3.6
175.11203	3.3
175.14896	0.9
177.12761	3.4
179.10661	0.7
179.14307	1.3
183.11676	1.6
185.13295	0.7
187.11183	1.3
187.14864	1.3
189.12807	1.4
191.14380	1.3
193.12271	1.3
195.13849	1.6
197.13243	1.1
199.14880	0.6
201.12799	1.0
205.12404	1.0
205.15897	0.8
207.13826	1.3
211.14832	0.9
213.16464	0.7
215.17896	1.1
219.13840	0.8
229.19431	3.1
231.17348	0.7
239.17958	1.9
241.17947	0.9
247.20595	4.9
257.18997	4.9
275.20038	43.0
276.20398	2.1
285.17120	0.7
293.21121	6.3
349.23767	10.1
350.24149	0.7
361.68457	0.5
367.24796	25.5
368.25119	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2473
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95506	1.2
53.03927	4.1
55.01868	15.3
55.05506	42.3
57.03193	1.4
57.03433	16.2
57.07055	1.5
59.04985	1.9
65.03922	1.6
67.05500	43.8
69.03417	2.9
69.07060	24.3
70.69949	1.6
70.70309	4.4
71.04990	8.1
71.08617	2.7
79.05486	42.7
80.78082	1.0
81.03396	5.9
81.07047	44.0
83.04971	26.5
83.08610	29.7
85.02899	6.7
85.06525	3.8
85.84654	1.3
91.05470	27.7
93.06432	2.1
93.07030	44.1
95.04958	49.9
95.08592	24.0
97.06515	11.9
97.10162	14.9
99.04446	11.5
99.08076	3.1
103.05412	1.1
103.34441	1.1
105.07012	26.8
107.04937	14.6
107.08582	42.8
108.08876	1.3
109.06506	10.9
109.10140	16.9
110.10500	1.1
111.04432	32.3
111.08068	10.3
117.07015	9.7
119.08566	20.3
121.06488	10.2
121.10134	23.4
123.08031	6.7
123.11714	5.4
125.06013	2.4
125.09614	15.0
129.06975	3.0
131.08559	15.8
133.06483	2.2
133.10103	17.3
135.08057	7.0
135.11664	13.2
137.09593	4.1
139.11159	2.6
141.09105	1.6
143.08556	3.7
145.10097	21.4
147.08041	4.1
147.11647	12.1
149.09601	33.2
149.13222	4.0
151.11156	4.4
153.09061	2.9
153.12761	5.0
157.10117	2.8
159.08139	1.5
159.11664	11.6
161.09572	3.0
161.13257	4.9
163.11169	27.9
165.12772	7.6
167.10672	2.2
169.10130	3.0
171.10298	1.3
171.11632	2.6
173.09604	2.6
173.11800	2.4
173.13222	4.8
175.11198	2.8
177.12770	6.8
181.12241	3.8
183.11708	2.5
187.11195	3.6
189.11180	11.4
189.12651	1.5
191.10646	2.0
191.14319	2.2
193.12250	2.9
201.12885	1.7
205.12248	7.3
207.13809	2.7
211.13249	2.6
215.17903	1.8
223.13266	45.2
227.12740	2.4
229.19510	5.0
239.18018	3.2
247.20561	5.0
257.18994	13.2
275.20038	100.0
276.20389	3.5
293.21057	28.1
324.24435	1.2
349.23755	10.3
367.24817	40.5
368.25272	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	367.2476
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	5.2
53.97669	1.6
55.01868	17.9
55.05507	41.5
57.03432	25.0
65.03936	3.6
67.05499	65.8
69.03423	4.1
69.07062	41.2
70.27766	8.5
70.28182	3.4
71.04982	6.5
71.08598	2.4
76.23562	1.7
79.05486	58.1
81.03400	5.1
81.07050	100.0
83.04972	21.3
83.08611	29.2
85.02892	4.9
85.06548	4.3
91.05471	38.4
93.07036	52.3
95.04959	40.9
95.08594	38.5
97.06521	16.6
97.10164	10.2
98.21329	2.7
99.04434	9.5
99.08093	6.3
105.07022	37.4
107.04958	15.1
107.08580	42.9
109.06512	18.8
109.10152	20.5
111.04431	20.5
111.08089	12.4
116.32372	1.7
117.06999	13.5
119.08575	27.2
121.06529	9.4
121.10139	26.6
123.08040	9.0
123.11725	11.6
125.09609	11.1
129.06972	7.0
131.08556	18.2
132.08813	1.9
133.10132	21.0
135.08032	6.7
135.11662	13.7
137.09627	5.3
143.08537	2.8
145.10117	23.5
147.08089	3.3
147.11665	21.0
149.09627	25.6
149.13248	7.8
151.11212	3.4
153.12679	3.3
155.08653	2.6
157.10121	4.2
159.11673	10.1
161.13266	6.4
163.11177	27.7
163.14850	2.5
165.12709	5.8
167.10706	2.3
169.10127	3.1
171.11678	5.6
173.13226	5.2
175.11220	3.6
177.12778	6.3
179.10657	2.3
181.12225	3.7
183.11768	4.1
187.11194	3.1
189.11224	5.4
205.12282	4.0
218.74829	1.9
223.13295	26.0
229.19553	3.8
239.17940	3.3
247.20581	7.7
250.66612	1.8
257.18951	8.8
275.20035	65.5
276.20395	2.7
293.21021	13.3
349.23727	9.0
367.24802	33.9
368.24551	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2473
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	3.6
55.01867	6.9
55.05502	22.1
57.03431	11.6
57.07053	2.0
65.03899	1.8
67.05496	40.8
69.03415	1.7
69.07061	32.1
70.69688	2.5
70.70087	3.0
71.04973	3.4
75.03228	1.3
79.05479	37.4
81.03408	5.2
81.07043	100.0
82.07332	1.9
83.04969	4.0
83.08603	15.0
85.06519	3.4
88.98557	1.2
90.43734	1.3
91.05468	29.4
93.07028	29.4
95.04942	10.6
95.08592	26.3
97.06508	9.1
97.10157	2.0
99.08082	3.7
105.07003	27.1
107.04946	8.2
107.08576	18.6
109.06505	22.2
109.10142	9.0
111.08058	5.5
113.06048	1.3
117.07015	7.7
118.40862	1.3
119.08550	20.0
121.06491	3.1
121.10126	15.2
122.59476	1.2
123.04430	1.3
123.08054	8.4
123.11682	6.9
125.09612	2.1
129.06969	3.9
131.08563	12.1
133.10118	12.4
135.08003	4.4
135.11711	6.1
137.09631	3.8
143.08556	2.6
145.10107	11.7
147.07994	1.8
147.11664	20.7
149.09625	8.4
149.13193	8.1
151.11160	3.6
155.04645	1.4
157.10068	5.2
159.11687	10.0
161.13220	4.2
163.11130	6.9
163.14778	2.0
165.12732	6.1
167.14281	1.7
169.10030	1.6
171.11713	1.6
173.13255	4.2
175.11148	3.7
177.12782	2.4
183.11674	2.5
187.11143	3.2
187.14865	1.7
193.12183	2.7
201.12769	1.9
229.19493	1.6
239.17885	1.8
247.20575	5.9
257.18811	6.1
265.88205	1.7
275.17139	2.6
275.20035	45.2
276.20331	2.4
277.48703	1.6
287.51761	1.3
293.21069	10.5
349.23752	13.8
367.24875	24.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2475
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	4.0
55.01868	9.2
55.05270	1.8
55.05508	22.9
57.03425	15.2
57.07072	3.0
59.04987	1.9
59.57056	1.5
65.03936	1.9
67.05496	54.2
69.03424	3.2
69.07060	33.9
70.06564	2.0
70.86568	3.4
70.86921	1.8
71.04965	4.3
74.06642	1.3
79.05485	40.2
81.03394	3.9
81.07047	100.0
82.07388	2.4
83.04971	6.1
83.08614	11.9
85.02878	2.2
85.06530	3.9
91.05468	32.5
93.07034	29.6
95.04958	12.3
95.08591	32.8
97.02908	1.9
97.06519	15.8
97.10151	3.4
99.08051	3.2
103.05513	1.9
105.07017	33.0
107.04903	7.7
107.08588	20.0
109.06501	17.6
109.10152	14.5
109.16518	1.3
111.08074	9.0
117.07015	8.1
119.08566	24.7
121.06480	6.1
121.10133	15.6
123.08073	10.0
123.11708	10.3
125.09578	2.8
129.06981	4.4
131.08530	14.6
133.06421	1.6
133.10127	17.1
135.08017	6.3
135.11662	9.0
137.09610	5.9
139.11171	1.8
143.08562	2.9
145.06496	1.9
145.10081	12.1
147.11676	22.8
149.09630	9.7
149.13258	7.0
151.11198	4.7
155.08566	2.5
157.10112	5.2
159.11699	9.6
161.09615	3.5
161.13219	4.6
163.11180	8.2
163.14870	2.3
164.01779	1.5
165.12756	7.3
169.10132	2.5
171.11642	3.2
173.13231	4.4
175.11147	2.6
177.12733	4.3
183.11647	2.0
185.13297	2.8
187.14790	2.3
195.13811	1.9
197.13319	2.7
205.12109	2.0
215.17886	1.8
223.13112	1.5
229.08559	2.7
229.19539	3.3
239.17998	3.0
247.20575	4.7
249.27191	1.6
257.18936	4.2
275.20032	39.4
275.22995	2.2
276.20468	1.7
293.21027	6.6
309.21231	1.6
349.23737	7.0
367.18472	1.6
367.24963	25.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2475
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03675	1.1
53.03934	5.0
55.01879	8.6
55.05503	21.3
56.81472	1.5
57.03430	16.8
58.32636	1.4
65.03934	3.4
66.04723	1.5
66.97938	1.2
67.05496	46.0
69.03431	2.4
69.07059	33.0
70.91265	2.6
70.91595	1.4
71.04987	4.4
77.06676	1.2
78.31540	1.7
79.05485	41.2
81.03411	3.0
81.07048	100.0
82.07384	2.2
83.04970	7.1
83.08616	11.3
85.06524	3.9
91.04926	2.2
91.05474	31.3
93.07035	30.6
95.04958	11.0
95.08591	31.5
96.79893	1.2
97.06524	15.2
97.10156	3.9
99.08085	4.5
105.07018	25.9
107.04933	8.7
107.08572	17.4
109.06495	13.1
109.10145	11.7
111.08102	6.3
117.06998	8.3
119.08569	22.0
121.06496	4.8
121.10132	10.1
123.08053	9.6
123.11702	11.1
125.09608	4.2
129.06999	2.8
131.08557	12.5
133.10117	18.8
135.08089	3.7
135.11707	6.6
137.09616	4.6
137.13322	1.9
141.06985	1.3
143.08582	2.1
145.10109	9.6
147.11687	20.9
149.09628	11.0
149.13220	8.2
151.11166	5.2
157.10092	4.5
157.11298	1.4
159.11668	9.7
161.09636	2.3
161.13290	3.0
163.11163	5.8
165.12729	5.5
169.10155	1.8
171.11603	2.2
173.13232	4.5
175.11223	3.1
177.12752	5.2
183.11711	2.3
189.11224	1.8
193.12195	1.7
195.13802	3.3
197.13210	1.5
229.19556	1.9
239.17940	2.5
247.20546	3.2
257.19040	5.1
275.20050	36.0
293.21011	6.0
301.40659	1.4
349.23624	5.6
367.24863	23.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2476
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77429	1.0
53.03939	3.7
54.87135	1.2
55.01870	6.5
55.05507	23.9
57.03429	12.0
57.07058	1.6
61.36616	1.1
67.05501	31.7
69.03412	2.6
69.07064	25.0
70.33665	5.1
71.04944	1.2
71.08250	1.8
71.08624	26.7
75.10220	1.0
79.05487	19.7
81.03403	3.9
81.06603	2.0
81.07051	25.7
81.58266	1.2
83.04962	7.1
83.08608	8.4
85.06528	2.3
91.05471	18.6
93.07029	17.6
95.04960	11.9
95.08591	11.6
95.90907	1.3
96.50790	1.2
97.02828	1.3
97.06526	4.0
97.10161	5.7
99.08085	17.3
105.07014	13.6
107.04930	6.4
107.08577	15.4
109.06535	3.7
109.10143	13.7
111.08054	2.7
117.07009	3.1
119.08563	5.9
121.06509	5.4
121.10137	4.7
123.08057	3.4
123.11699	3.6
125.09634	4.6
127.07492	1.5
131.08597	5.7
133.10132	15.9
135.08028	2.3
135.11671	3.9
137.09637	2.7
139.11171	2.6
145.10080	2.6
147.11650	2.4
149.09613	4.7
149.13257	2.3
151.11159	9.9
159.11725	3.2
161.13309	1.6
163.11168	3.6
167.10675	3.2
169.12135	1.3
177.12749	3.0
179.10738	1.2
189.11266	3.3
191.14264	1.4
206.75079	1.3
227.12689	1.5
229.19492	1.1
247.20599	3.6
257.19000	2.0
265.21594	2.2
275.20032	19.1
293.21085	100.0
294.21387	4.8
349.24069	2.1
367.24796	46.2
368.25153	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	367.1537
Annotation	7-Prenyloxy-3',4'-dimethoxyisoflavone
Peak:m/z	Relative Intensity
52.86057	0.7
55.01873	1.2
55.05503	1.7
56.96559	1.1
57.03421	1.4
59.04993	7.8
65.03889	0.7
67.05495	2.7
69.07048	1.0
70.06590	1.2
71.75390	1.6
72.08100	0.9
79.05485	4.2
81.03407	1.1
81.07050	7.1
84.08142	0.8
91.05473	5.5
93.07044	1.5
94.04166	4.6
95.04968	1.0
95.08614	1.1
103.05499	0.8
105.07019	1.7
106.27643	0.8
107.04926	1.7
107.08582	1.2
109.06506	9.7
109.21758	1.0
115.05481	1.3
117.03402	1.2
117.07014	1.0
117.09135	2.1
119.08595	1.5
121.10119	1.1
122.03625	6.6
131.04861	1.1
131.08563	2.1
133.10127	1.5
137.05966	100.0
138.06281	1.8
139.05452	0.9
149.05936	6.4
151.07425	4.7
153.07018	4.1
155.08565	2.0
157.06543	1.0
158.07246	0.8
159.08075	2.1
160.05258	1.0
161.05960	2.3
165.06992	1.9
167.08583	0.9
169.06430	1.2
171.07974	0.9
175.03841	2.0
175.07536	2.2
177.05458	0.9
181.06450	6.0
183.04619	0.9
183.08075	2.0
185.06006	1.2
185.26906	0.9
187.07530	4.3
191.08524	1.1
195.08119	1.1
198.06784	2.8
199.07542	5.5
200.08461	0.9
201.09111	1.9
202.07777	3.0
203.08524	1.8
206.82025	0.8
210.06696	1.3
211.07527	3.1
213.09084	27.1
214.09502	0.9
215.10599	1.4
216.09256	1.3
217.10074	3.3
218.07172	1.0
225.09056	4.3
228.09441	1.6
229.10124	4.4
231.08061	3.1
232.08833	1.8
233.09656	2.1
235.07550	1.5
239.08456	1.5
242.07164	1.8
243.10225	2.0
244.08899	1.8
245.09509	5.1
246.10374	2.8
247.07516	2.1
247.11131	1.1
249.09137	1.5
255.08069	1.8
257.09576	9.6
258.10391	1.2
259.07660	2.5
260.08307	1.6
261.09088	3.1
262.09912	2.4
263.10605	1.4
264.07651	1.0
265.08371	1.2
271.07675	1.8
273.09106	5.0
274.09933	5.3
275.07303	1.1
275.10641	3.3
275.20148	1.5
276.07828	1.0
277.08557	2.3
277.12204	4.1
278.09180	1.5
285.09088	8.4
286.09879	1.7
287.06970	2.8
287.10199	1.0
288.07788	0.9
289.08597	3.1
289.12204	7.9
291.10052	4.8
293.08292	1.7
293.11798	2.5
301.08481	2.3
302.09338	6.5
303.09998	4.0
304.11136	1.5
305.11743	3.0
306.08847	2.4
307.09406	1.3
307.12878	1.6
308.10425	1.8
309.11142	2.3
317.11667	20.1
317.15213	1.1
318.12195	1.9
319.09555	2.8
321.11127	9.1
322.11749	1.2
325.13257	1.6
334.12051	2.6
335.08972	1.4
335.12643	10.6
336.13522	3.1
337.14355	4.2
339.12006	1.5
349.14297	15.4
352.12927	1.7
367.11499	7.8
367.15424	72.0
368.15683	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	366.3364
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03917	1.5
55.01843	1.8
55.05507	21.9
57.07065	4.3
60.04519	4.5
60.08164	4.5
65.03893	2.3
67.05498	64.6
67.05832	2.6
69.07063	32.7
70.07376	0.8
71.04938	2.2
71.08616	1.6
71.36893	1.0
73.02875	3.1
79.05489	16.1
79.05922	1.0
81.07048	67.1
82.07365	1.3
83.04938	1.6
83.08613	13.1
85.06470	2.2
86.09660	1.1
88.03945	1.4
91.05476	7.3
93.07040	13.1
95.04928	1.3
95.08599	50.2
96.08885	1.1
97.06486	1.6
97.10163	4.5
99.04451	3.9
99.08068	0.8
100.34013	0.7
105.07017	4.8
106.05018	9.7
107.08592	7.3
109.06443	1.3
109.10148	16.9
111.08031	1.2
113.05953	1.0
119.08528	3.0
121.10132	5.1
123.08056	2.0
123.11707	5.8
125.09642	0.9
131.08513	2.2
133.10063	2.5
135.11636	3.2
137.13188	3.0
145.10017	1.2
147.11580	2.1
149.13196	2.3
151.14789	1.6
158.82945	0.7
161.13235	1.3
173.13232	1.3
177.16403	1.0
185.04073	0.7
187.14725	1.4
195.13736	0.8
221.15298	1.4
223.16742	1.0
229.75842	0.7
270.86746	0.8
285.11954	0.8
307.26279	97.4
308.26752	4.3
348.26068	0.8
358.23743	0.8
366.33643	100.0
367.34134	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.0204
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41571	0.2
50.99557	0.2
51.88733	0.1
56.96571	0.3
62.65368	0.1
70.40620	0.6
82.03999	0.2
82.10718	0.1
86.05486	0.2
98.97567	0.4
101.00861	0.6
108.79208	0.2
116.98589	0.4
119.01908	7.3
120.01958	0.2
134.99757	0.7
137.02948	3.9
142.03490	0.4
153.00868	0.7
157.12482	0.2
158.99895	0.7
165.99603	0.2
175.03003	0.2
177.00935	20.1
178.00967	1.4
179.00687	0.2
182.99940	0.5
186.73012	0.2
193.04060	0.6
195.01990	0.6
200.02531	0.5
201.00902	1.0
217.02089	0.3
217.04048	2.9
219.01981	25.5
220.02139	1.6
221.01909	0.3
225.00851	2.4
225.02914	0.1
234.99940	0.3
236.00070	0.4
236.99818	0.4
242.03578	1.1
243.01924	5.7
244.02119	0.3
254.01253	0.2
256.95126	0.2
258.99805	0.8
260.00180	0.8
260.04590	0.3
261.03030	100.0
262.03146	5.6
263.03091	0.5
266.03574	0.6
275.04376	0.2
277.00900	1.5
278.01077	1.4
279.01004	1.0
280.01041	0.5
283.00021	1.2
284.00095	1.8
284.04633	7.8
284.99786	0.6
285.04880	0.5
288.07724	0.2
299.47302	0.2
301.01010	3.0
302.01151	4.1
303.00708	1.7
304.01102	0.3
305.07349	0.2
307.06110	0.4
320.02222	0.4
324.02408	0.2
325.01077	0.3
326.01407	0.3
342.01761	0.2
342.95175	0.4
343.01929	1.2
344.02185	2.0
345.02179	0.3
361.03671	0.2
362.03192	0.6
367.02026	0.8
385.03152	4.6
386.03235	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.2999
Annotation	Melophlin P
Peak:m/z	Relative Intensity
53.03939	0.3
55.05506	1.9
57.07062	0.7
62.86816	0.2
64.28927	0.3
65.03951	0.2
66.53999	0.2
67.05499	7.9
68.05011	0.4
69.03428	4.5
69.07051	1.8
69.62352	0.3
69.62755	1.7
69.72623	0.2
79.05474	2.1
81.03425	0.3
81.07048	7.2
83.04985	0.2
83.08613	1.0
85.10165	0.2
86.06058	100.0
87.04458	15.2
87.06393	0.9
91.05476	1.4
93.07030	2.2
95.08600	5.1
97.06473	0.3
98.20636	0.4
104.07092	20.6
105.06993	0.7
107.08569	0.7
109.10129	2.6
119.08573	0.7
121.10122	0.3
123.11700	0.7
133.10132	0.8
135.11681	0.3
147.11653	0.5
149.13278	0.3
149.34552	0.2
161.13283	0.5
163.14940	0.3
222.45255	0.3
245.22681	0.9
263.23776	1.1
296.12570	0.2
307.26178	0.3
366.29913	2.6
366.33423	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.2845
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	2.5
56.05037	5.1
56.32626	0.6
57.03431	2.4
57.12104	0.6
60.04517	100.0
65.03928	0.8
67.05502	8.2
68.05019	0.8
69.07060	2.5
70.06579	2.1
71.05000	1.5
71.12733	1.0
72.04517	1.7
74.06069	2.3
79.05481	6.1
80.05003	1.1
81.03420	0.9
81.07044	12.1
82.06573	2.4
83.08636	1.2
84.08107	1.0
85.06540	1.5
86.06053	0.8
86.09706	0.8
90.04742	0.6
90.05563	1.2
91.05467	4.8
93.07034	6.4
94.06548	2.0
95.04955	1.8
95.08585	9.5
96.08119	1.0
97.06508	1.2
105.07027	2.5
107.08588	4.0
108.08067	0.6
109.10134	3.2
111.08016	0.9
119.08566	2.3
120.08088	1.2
121.10148	2.4
123.11697	1.0
131.08572	1.2
133.10143	2.3
135.11670	1.7
144.79955	0.6
145.10152	1.5
147.11716	1.4
149.13229	0.8
161.13269	1.2
173.50853	0.6
185.13301	0.6
250.21449	0.8
252.19649	0.8
269.76270	0.6
276.23206	3.7
294.24228	6.5
312.25293	7.6
330.26352	11.2
331.26559	0.7
348.27383	30.8
349.27881	1.0
366.28458	65.6
367.28726	3.6
378.95575	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.2845
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.0
54.64249	0.5
55.01867	2.4
55.05502	3.6
56.05042	4.0
57.03432	2.5
57.07074	1.4
59.05000	1.6
60.04522	100.0
60.47685	0.5
61.02927	1.0
65.03935	0.8
67.05502	13.3
68.05028	1.4
69.03426	3.5
69.07061	4.6
69.54675	2.9
69.55090	1.9
70.06585	8.3
71.04995	2.8
72.04525	2.3
72.08151	3.3
73.02929	1.0
74.06077	2.5
79.05489	8.9
80.05015	1.6
81.03428	2.2
81.07053	17.1
82.06596	3.7
83.04984	1.4
83.08612	1.8
84.04515	2.0
84.08139	4.4
85.02906	2.6
85.06551	2.7
86.06058	1.1
86.09681	3.4
87.04459	0.7
88.04016	0.8
90.05552	1.0
91.05475	9.1
93.07041	9.8
94.06574	1.9
95.04967	1.9
95.08591	10.3
96.08150	1.8
97.06515	3.0
97.10196	1.0
98.06046	1.3
98.20715	1.3
99.04495	1.0
99.08096	2.1
101.02398	0.6
102.05536	1.8
103.05463	0.7
105.07017	5.9
106.06544	0.7
107.08586	6.5
108.08079	0.6
109.02875	1.1
109.06513	1.0
109.10145	5.0
110.06027	0.8
110.07169	1.0
111.08060	1.0
112.07633	0.7
112.08723	0.8
113.06083	0.7
115.05415	0.5
116.04958	0.8
116.07085	1.7
117.07013	1.1
118.05283	0.7
118.06541	2.8
119.04945	1.0
119.08549	3.7
120.06568	0.7
120.08104	3.7
121.06535	0.9
121.10136	5.5
122.02402	1.4
123.08098	1.1
123.11623	2.9
125.09647	1.1
126.09171	0.6
127.03996	0.7
128.07082	2.3
129.06967	0.7
129.10281	1.7
130.06512	7.9
130.08705	0.8
131.08528	2.9
133.07617	2.1
133.10110	3.7
133.85942	0.6
135.11676	3.9
136.06635	0.8
136.07547	4.4
137.09683	0.6
143.08640	1.2
144.08083	6.4
145.07555	2.6
145.10130	1.6
147.08047	0.6
147.11691	3.1
149.13348	0.8
151.11179	2.1
154.06557	0.9
155.07304	1.0
157.07596	1.3
157.10176	0.6
158.06053	0.6
159.08047	1.7
159.11745	0.8
161.13228	1.4
163.08647	2.8
165.03696	0.7
165.07089	0.6
168.06569	0.7
169.12199	6.1
171.09155	4.0
172.07565	3.5
173.07166	1.0
173.13170	0.7
175.08630	1.6
177.09015	0.8
183.09181	1.9
184.09956	0.8
185.07068	0.7
185.10742	1.9
187.08646	1.5
187.13306	1.4
189.06627	1.4
189.16380	0.7
190.08669	3.8
196.05983	0.6
197.06401	0.8
197.10767	1.1
199.08675	4.7
201.10217	1.3
203.08272	1.1
203.17880	0.7
207.07635	17.3
211.08624	1.3
213.10249	1.8
217.19502	1.5
223.08673	1.4
225.10219	1.5
227.08188	1.3
229.09752	1.5
232.07204	2.1
235.08801	2.4
237.10411	0.8
241.09680	2.3
252.06575	0.9
253.21660	1.2
257.09155	0.7
259.10754	2.1
264.23254	1.2
267.11288	1.4
271.10712	0.9
276.23245	3.5
279.13358	1.8
283.10724	0.8
289.11707	0.7
294.24319	6.0
295.10687	2.3
309.07498	0.7
312.25308	13.0
313.11990	1.0
323.12347	6.9
324.12894	0.9
330.09802	0.6
330.26367	29.1
331.12949	1.5
348.27417	34.3
349.13873	2.5
349.27859	1.2
366.12973	8.9
366.28476	49.3
367.07956	1.8
367.14993	16.6
367.28833	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	366.2273
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78999	0.3
53.03916	0.4
53.15522	0.3
55.05486	1.1
60.04519	3.1
67.05479	1.4
69.03402	0.8
69.07038	0.7
69.58602	2.8
70.06564	1.4
71.49664	0.3
71.60104	0.3
72.08127	0.8
81.03381	0.5
81.07018	1.2
83.04964	0.4
83.08572	0.4
84.08096	1.1
85.02874	0.5
86.09697	5.1
87.05547	1.2
89.47881	0.3
91.05460	2.7
92.05002	4.6
93.05740	1.0
93.07022	0.8
94.06538	1.1
95.04932	0.5
97.02843	0.3
99.04377	0.4
102.14627	0.3
103.05421	0.3
105.03374	0.5
105.07004	0.7
106.06529	1.5
107.04964	0.8
107.08559	0.5
108.08053	0.3
109.02874	0.6
115.05415	0.4
117.05734	1.2
118.06532	14.5
119.07346	2.1
119.08602	0.4
120.08096	8.1
120.08948	0.3
121.02824	1.1
121.06487	0.4
123.04401	0.3
125.09589	0.3
128.10699	0.7
129.10260	0.4
130.06517	1.7
131.07262	0.5
132.08083	1.6
133.02817	0.6
133.08836	0.4
133.10083	0.6
134.09621	0.8
135.04382	0.6
136.06136	0.8
137.02290	0.4
144.08063	1.6
146.09587	0.7
147.04391	0.6
149.05994	0.6
151.03882	0.7
157.06468	0.4
157.07603	0.6
158.09612	0.4
159.11664	0.4
160.11212	0.6
162.09125	14.9
163.03902	2.0
163.09889	4.0
164.10628	0.6
165.01817	2.0
173.12854	6.3
175.03859	2.0
176.10693	0.6
181.04883	0.4
183.02847	1.2
191.03424	3.1
191.70801	0.3
201.12315	1.3
202.15889	3.4
207.11240	4.0
208.11618	0.4
230.15373	23.5
231.15657	0.6
235.10782	0.6
239.07028	0.9
248.16422	1.1
267.06451	1.0
268.07278	3.7
274.18002	0.7
283.05991	9.4
292.19043	47.0
293.19302	1.7
294.05319	0.7
295.06085	1.1
296.06766	23.7
304.19104	0.4
309.07523	1.0
311.05615	0.5
311.09058	8.0
318.11722	0.4
323.05261	0.3
324.06244	20.4
325.06870	0.4
337.06778	0.6
338.07648	1.7
339.08603	19.1
348.12872	0.6
349.07294	0.8
352.05707	2.1
366.07065	1.8
366.22723	100.0
367.08102	42.3
367.23059	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	366.2273
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78999	0.3
53.03916	0.4
53.15522	0.3
55.05486	1.1
60.04519	3.1
67.05479	1.4
69.03402	0.8
69.07038	0.7
69.58602	2.8
70.06564	1.4
71.49664	0.3
71.60104	0.3
72.08127	0.8
81.03381	0.5
81.07018	1.2
83.04964	0.4
83.08572	0.4
84.08096	1.1
85.02874	0.5
86.09697	5.1
87.05547	1.2
89.47881	0.3
91.05460	2.7
92.05002	4.6
93.05740	1.0
93.07022	0.8
94.06538	1.1
95.04932	0.5
97.02843	0.3
99.04377	0.4
102.14627	0.3
103.05421	0.3
105.03374	0.5
105.07004	0.7
106.06529	1.5
107.04964	0.8
107.08559	0.5
108.08053	0.3
109.02874	0.6
115.05415	0.4
117.05734	1.2
118.06532	14.5
119.07346	2.1
119.08602	0.4
120.08096	8.1
120.08948	0.3
121.02824	1.1
121.06487	0.4
123.04401	0.3
125.09589	0.3
128.10699	0.7
129.10260	0.4
130.06517	1.7
131.07262	0.5
132.08083	1.6
133.02817	0.6
133.08836	0.4
133.10083	0.6
134.09621	0.8
135.04382	0.6
136.06136	0.8
137.02290	0.4
144.08063	1.6
146.09587	0.7
147.04391	0.6
149.05994	0.6
151.03882	0.7
157.06468	0.4
157.07603	0.6
158.09612	0.4
159.11664	0.4
160.11212	0.6
162.09125	14.9
163.03902	2.0
163.09889	4.0
164.10628	0.6
165.01817	2.0
173.12854	6.3
175.03859	2.0
176.10693	0.6
181.04883	0.4
183.02847	1.2
191.03424	3.1
191.70801	0.3
201.12315	1.3
202.15889	3.4
207.11240	4.0
208.11618	0.4
230.15373	23.5
231.15657	0.6
235.10782	0.6
239.07028	0.9
248.16422	1.1
267.06451	1.0
268.07278	3.7
274.18002	0.7
283.05991	9.4
292.19043	47.0
293.19302	1.7
294.05319	0.7
295.06085	1.1
296.06766	23.7
304.19104	0.4
309.07523	1.0
311.05615	0.5
311.09058	8.0
318.11722	0.4
323.05261	0.3
324.06244	20.4
325.06870	0.4
337.06778	0.6
338.07648	1.7
339.08603	19.1
348.12872	0.6
349.07294	0.8
352.05707	2.1
366.07065	1.8
366.22723	100.0
367.08102	42.3
367.23059	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	366.2268
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	4.1
55.01852	5.7
55.05280	1.5
55.05509	21.1
56.05011	1.5
56.96544	3.9
57.03419	4.4
58.06598	25.1
59.04988	1.4
60.04525	18.8
67.05498	21.7
69.03409	2.6
69.07067	9.4
70.06577	3.5
70.55930	4.6
71.04969	3.9
71.08607	2.3
72.08143	6.7
79.05487	24.3
79.59056	1.2
79.97133	1.3
80.05002	1.6
81.03385	5.9
81.07050	30.6
82.06578	2.0
83.04960	5.2
83.08614	14.3
84.08136	48.0
84.08638	2.6
85.02869	1.6
85.06521	1.3
86.09694	3.2
90.47290	1.4
91.05476	21.9
93.07034	22.6
94.06548	2.2
95.04951	9.2
95.08606	11.0
96.08111	3.7
97.02882	2.2
97.06505	4.4
97.10171	8.7
98.97570	2.2
99.00783	4.3
99.08082	1.9
100.07611	10.0
103.05422	1.6
105.06405	2.2
105.07020	17.0
106.06556	1.5
107.04940	11.2
107.08582	14.0
109.02861	6.3
109.06499	9.3
109.10113	7.4
111.04414	1.9
111.08048	3.3
112.07578	13.4
115.05432	2.0
116.98602	1.7
117.07030	6.4
119.04916	1.5
119.08574	13.6
120.04379	2.3
121.02802	1.2
121.06498	64.0
121.10129	6.0
123.08031	3.9
123.11709	2.1
125.09603	6.1
126.09140	2.3
127.03858	1.7
128.06247	1.4
128.10704	1.7
129.06984	2.4
131.00038	1.4
131.08553	6.1
133.06485	2.4
133.10126	12.7
134.09645	2.5
135.08051	10.0
135.11676	4.5
136.11177	4.3
137.09619	2.7
138.09119	3.3
139.07552	1.8
141.06927	1.5
143.08516	4.9
145.06451	3.0
145.10107	3.7
146.09592	2.0
147.03157	2.0
147.08049	2.2
147.11650	3.5
149.01274	2.4
149.09579	3.8
149.13269	1.2
151.11166	3.5
157.10115	2.1
158.99631	1.8
159.08023	4.4
159.11613	2.3
161.01328	1.5
161.09605	7.1
162.09122	3.8
163.07547	3.8
163.11177	3.8
167.02193	2.0
171.07973	1.9
171.11601	1.9
173.09625	2.4
175.03893	1.3
177.00705	1.9
177.12738	2.0
179.10603	2.9
181.12167	3.4
185.67230	1.4
189.09071	2.9
189.11165	5.2
189.12662	1.8
191.02287	1.4
207.10139	1.8
219.05122	1.4
219.13721	2.4
221.11693	1.8
225.11150	1.8
229.12070	1.7
235.13121	1.6
237.14786	1.8
243.17580	2.2
255.09062	4.1
260.20099	2.6
261.18384	2.9
270.18561	2.2
271.16843	6.8
273.10104	4.3
274.18616	2.0
275.20059	4.7
277.21811	1.9
288.19696	8.9
289.17941	29.7
292.19855	1.8
293.21069	2.5
306.20529	11.2
307.18860	5.9
324.21768	2.9
348.21658	9.9
349.17065	1.8
366.22794	100.0
367.18610	2.8
367.23679	2.2
385.62115	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.2118
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	8.6
56.05024	6.8
57.03421	5.0
60.04517	67.7
60.04821	4.9
67.05495	32.3
68.99783	5.3
69.03433	6.3
69.07061	12.0
70.06580	25.7
71.04987	34.8
71.73286	5.8
71.90490	3.9
72.08138	24.9
78.08151	3.5
79.05488	20.3
81.03426	4.6
81.07042	26.4
82.06571	3.7
83.05002	5.1
83.08607	6.1
84.04510	12.5
84.08131	11.2
85.02904	9.4
85.06532	51.7
86.09706	11.2
87.04440	5.9
91.05469	27.8
92.05835	3.7
93.07029	15.6
94.06591	4.6
95.04947	7.8
95.08610	8.7
97.06496	3.5
105.07027	26.6
107.04978	3.5
107.08585	28.2
109.06496	5.7
109.10154	37.6
110.07149	5.3
112.11140	3.4
115.05386	4.4
116.46950	3.8
118.06593	3.7
119.08593	5.5
120.08059	8.3
121.02882	6.3
122.68061	3.4
123.08112	5.5
123.11690	6.8
124.07547	3.6
128.06143	3.4
129.10216	7.4
130.04994	4.8
130.06520	9.2
131.08569	4.0
133.10112	78.0
136.06223	7.2
137.02310	4.6
144.08087	5.0
147.04393	6.2
150.07729	7.1
151.11162	69.3
154.08681	3.5
164.72942	3.9
167.07086	5.8
169.12189	43.9
171.02570	6.4
175.03973	11.7
176.04202	5.3
185.04129	5.1
187.13266	100.0
187.14854	6.0
204.03853	3.9
207.11421	4.2
213.03609	5.6
217.03206	4.6
230.15373	10.4
246.09569	3.7
256.10547	5.8
264.10559	3.5
285.40701	3.6
292.18863	6.2
294.24240	4.9
306.11670	14.0
312.25366	9.1
325.07217	4.1
330.26498	6.8
337.06888	6.9
338.07257	21.0
339.08411	8.9
348.27094	8.9
362.50449	4.8
366.06717	46.9
366.13834	17.3
366.22681	40.6
366.28418	53.5
367.07974	22.1
367.18652	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.1755
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78325	0.6
53.03947	4.4
55.01868	8.6
55.05504	5.1
57.03437	7.5
60.04521	1.1
61.02922	6.8
65.03915	1.0
67.05502	1.9
68.99793	3.5
69.03422	38.2
69.07066	1.0
69.43480	0.8
70.06586	1.7
70.11119	2.4
70.11530	1.7
71.01337	1.4
71.04996	5.5
73.02905	6.6
79.05482	1.7
80.64092	0.8
81.03410	25.5
81.07033	2.1
83.01331	1.1
83.04951	0.7
83.08617	1.2
85.02896	100.0
86.03244	0.7
87.00819	49.4
87.04443	0.8
91.03926	1.2
91.05481	2.6
93.07027	1.1
95.04951	1.4
95.08594	1.5
97.02882	32.3
97.10128	0.8
98.20759	0.8
99.04445	14.9
103.03902	0.9
105.01854	62.2
105.07008	1.9
108.04480	3.0
109.02869	26.8
110.03231	1.1
111.08074	2.0
115.03915	1.5
115.59446	0.7
117.01855	3.2
121.02862	1.1
125.09647	0.9
126.05505	1.1
127.03899	65.2
128.04247	1.1
129.01839	3.3
135.04404	0.9
135.08061	0.8
136.06168	49.3
137.04616	1.3
137.05916	0.8
137.09593	0.8
139.07494	0.9
141.09106	1.5
145.04941	29.4
147.02859	2.2
151.07513	1.9
159.02878	14.0
160.03264	0.7
162.09175	1.0
163.03929	0.8
165.01822	1.1
167.10597	0.9
176.04347	1.0
183.02870	0.8
189.03928	4.4
191.10628	0.9
209.11784	3.1
213.03955	2.5
231.04962	17.7
231.07094	1.2
248.07649	1.1
249.05945	3.3
283.06122	2.0
295.06281	1.0
295.11813	4.3
297.07535	1.0
313.13107	0.7
320.44128	0.7
325.07193	1.7
330.19574	0.8
338.07700	0.8
339.08673	3.1
348.20236	6.6
349.07016	0.7
359.30359	0.7
366.21399	12.0
367.07974	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	366.118
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	2.7
55.05499	2.1
56.05029	1.6
60.04505	2.7
61.02932	2.3
62.06087	1.6
67.05463	1.5
69.03430	4.0
69.07047	2.6
70.06590	11.3
71.74025	2.4
72.08141	9.6
73.02920	2.7
74.06069	1.8
81.03403	2.1
81.07038	1.9
83.04973	3.5
83.06042	1.7
83.08591	1.7
84.04488	4.7
84.08150	11.4
85.02899	7.2
86.09697	21.3
91.05479	6.5
94.69334	1.3
95.01341	3.0
95.04950	1.7
97.02894	2.8
107.04964	1.6
109.02851	2.1
110.07153	5.5
112.08687	1.7
112.11234	2.8
113.02338	12.4
113.05946	1.7
115.05418	1.7
116.07107	1.4
117.05756	4.1
117.07015	5.4
118.06530	36.7
120.08093	13.2
123.08105	2.2
127.07535	4.4
129.06995	4.2
129.10202	3.3
129.13840	3.4
130.06514	100.0
131.06886	2.0
132.08070	4.7
136.06145	4.2
136.07527	4.3
143.07297	3.6
144.08070	82.3
145.06503	2.7
145.08423	2.5
147.04417	2.0
154.06522	10.4
155.07272	7.2
156.08098	10.0
157.13356	4.7
158.06001	14.0
160.07571	9.5
164.07074	1.6
167.07112	1.7
168.08012	7.1
170.06013	2.5
172.07559	64.5
174.05473	1.9
176.07022	3.5
180.08089	2.4
182.05992	3.7
182.08134	1.4
184.07562	13.2
185.12868	2.4
186.05441	8.7
186.09151	3.2
190.08611	47.3
190.10670	3.8
194.05936	1.7
196.07576	5.5
198.05542	4.2
200.07158	3.3
203.22345	2.0
204.06546	5.0
204.08521	3.3
204.10249	2.3
205.34726	1.7
212.07051	6.7
214.08646	1.8
224.06972	4.7
226.08528	2.0
233.16493	1.7
234.13454	3.3
242.08141	2.4
252.06665	2.1
254.08145	4.4
260.09204	6.7
263.08472	8.4
272.09076	11.0
284.09189	1.9
286.07068	2.2
300.08755	1.6
302.10260	2.3
320.11194	3.1
330.09552	8.2
348.10727	3.2
366.06696	2.5
366.11328	9.6
367.15262	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.316
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02541	1.4
50.79863	1.4
53.02865	1.4
53.03935	1.8
55.05267	1.6
55.05504	19.3
56.05014	4.5
56.23850	1.4
57.07043	2.3
57.81413	1.4
58.06573	3.0
59.06117	1.5
62.55305	1.5
67.05186	2.4
67.05500	28.5
68.05026	1.9
69.07063	22.4
69.61902	3.2
69.62311	8.7
70.06563	6.3
72.08101	2.2
78.99953	1.5
79.05476	10.6
80.04966	2.1
81.06611	2.0
81.07047	29.1
82.06554	4.8
82.88651	1.5
83.08618	10.5
84.04484	2.2
84.08134	3.5
85.04006	6.6
85.07658	100.0
86.06055	1.6
88.03937	1.6
91.05473	7.2
93.07030	13.9
94.06557	3.7
94.62852	1.4
95.08591	20.1
95.89388	1.6
96.08099	2.9
97.03999	5.8
97.06526	2.2
97.07632	1.8
97.10150	2.5
98.09665	3.0
99.05553	2.0
100.11242	3.7
104.62727	1.4
105.07001	4.3
107.08559	6.7
108.08130	2.7
109.10139	5.1
111.05534	3.2
111.11179	1.6
113.07118	21.2
117.07032	1.9
119.08520	4.6
120.08157	1.4
121.10108	7.1
122.09708	1.9
123.08067	2.0
123.11689	5.0
125.07090	4.5
126.12775	2.4
128.14362	4.3
133.10127	3.0
135.11647	1.6
137.09581	2.1
140.14307	5.4
145.10147	2.2
147.11691	3.4
149.09525	1.9
149.13243	2.0
155.11797	24.7
159.11798	2.0
161.13283	1.7
166.15955	1.5
181.13364	12.3
183.14929	4.4
192.13889	1.7
194.15379	3.5
200.16389	1.9
203.05234	5.1
207.14890	1.8
209.12837	6.4
209.16592	2.7
212.16309	2.2
223.17989	1.7
235.14380	3.3
237.16058	3.2
249.19562	1.8
277.18988	2.8
277.22714	2.7
287.44818	1.5
288.23312	2.5
304.22781	1.6
304.26218	3.4
305.25668	3.5
316.59824	2.0
319.27362	3.2
322.27319	6.3
322.41367	1.5
323.26840	18.7
324.27423	2.5
329.25806	2.5
347.26889	58.3
348.27109	4.8
365.10309	2.7
365.15564	2.9
365.27890	58.4
366.28149	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	366.1181
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01849	2.0
58.07634	1.1
58.29663	1.0
61.02893	1.4
69.03413	1.4
70.00971	6.1
70.06574	1.8
71.07350	1.5
71.94193	1.0
72.08153	2.5
73.02905	3.6
84.08119	2.5
85.02882	2.9
85.08919	1.1
86.09694	2.4
91.05456	3.2
95.01299	2.7
97.02832	1.6
112.11226	2.7
113.02351	12.4
115.05433	2.1
117.05716	3.9
117.07032	4.7
118.06533	33.7
126.45498	0.9
129.06985	4.0
129.13838	1.6
130.06512	100.0
131.06834	2.5
132.08035	4.3
143.07283	5.1
144.08072	82.6
145.06432	3.0
145.08411	3.1
154.06511	11.1
155.07249	8.0
156.08086	8.2
158.05995	11.7
160.07565	7.5
167.07202	1.6
168.08061	7.9
170.05981	1.9
172.07550	57.7
173.08029	3.0
174.05467	1.0
176.06874	1.1
180.07979	2.1
182.06023	1.7
182.09541	1.1
184.07582	13.6
186.05455	8.4
186.09123	1.4
190.08611	51.9
191.08902	2.1
194.05930	1.5
195.18184	1.1
196.07524	6.6
198.05447	6.8
200.07076	2.3
200.40765	0.9
204.06567	2.1
208.07660	1.5
212.07033	6.4
214.08545	1.7
222.05504	1.3
224.07127	4.9
226.08623	1.8
236.07028	2.1
242.08124	4.5
252.06573	2.6
254.08020	3.3
260.09137	7.3
272.09207	9.2
284.09201	1.2
286.07108	2.9
300.08826	1.3
302.10168	3.7
304.08069	2.1
312.08591	1.2
320.11188	4.7
330.09732	6.7
348.10773	4.3
366.11206	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2684
Annotation	Sarcotol acetate
Peak:m/z	Relative Intensity
50.45294	0.9
53.06078	1.3
55.05509	1.9
56.80127	0.9
57.07075	5.0
67.05482	4.1
69.07050	3.7
69.44389	4.6
69.44824	5.5
79.05486	1.4
81.07046	3.9
85.06535	2.7
91.05490	1.7
93.07008	2.3
95.08584	3.4
105.07018	2.0
107.08585	2.8
109.06523	2.9
109.10169	1.4
111.08102	1.1
119.08565	1.2
121.10117	1.3
123.08081	5.6
135.08078	1.6
135.11678	1.7
137.05977	1.2
148.23601	1.1
151.07552	4.3
152.08342	4.0
161.03250	0.9
163.11258	1.0
165.09114	15.6
165.12910	1.1
166.09860	1.1
175.11131	1.1
193.12219	1.3
195.13828	1.2
203.05296	1.1
208.14516	1.9
215.05408	1.0
221.15326	1.8
249.18500	1.4
261.99860	0.9
263.20081	3.4
298.32507	1.0
305.24783	3.6
319.26260	6.7
347.25787	52.8
348.26016	1.7
365.26862	100.0
366.27249	5.3
366.33459	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2684
Annotation	10-Deacetoxybarbilycopodin
Peak:m/z	Relative Intensity
55.01856	0.3
55.05511	1.6
56.04564	0.3
57.07071	2.4
60.04533	0.7
65.03919	0.3
67.05498	2.8
69.03449	0.3
69.07066	1.5
71.05013	0.5
71.08620	0.5
71.72972	0.5
74.66560	0.4
79.05486	1.7
81.07047	3.6
83.04973	0.3
83.08613	0.7
85.06531	0.8
86.08891	0.3
91.05474	1.1
93.07033	2.1
95.04962	1.2
95.08598	2.3
97.06520	0.4
100.21514	0.3
105.07024	1.6
106.05023	0.6
107.08582	1.5
109.06519	1.6
109.10156	1.3
117.06998	0.7
119.08560	1.3
121.10143	1.0
123.08061	3.2
123.11736	0.3
124.08881	1.8
131.08551	1.1
133.10150	0.9
135.08054	0.8
135.11693	0.6
137.05960	0.8
139.07468	0.4
142.07809	0.3
143.08560	0.5
144.09390	0.3
145.10120	1.4
147.11707	0.9
149.09647	0.4
151.07535	6.9
151.11107	0.3
152.08310	6.7
152.09467	0.5
157.10085	0.6
159.11693	2.6
161.09622	0.4
163.11259	0.3
165.09109	9.2
165.12788	0.6
166.09871	0.9
169.10190	0.3
173.13263	0.3
175.03873	0.3
179.10683	1.7
181.12251	0.4
185.13243	0.4
191.10684	0.9
193.10167	0.4
193.12260	0.5
194.13004	4.2
195.13792	0.3
197.13364	0.3
201.16409	0.3
204.13823	1.8
205.12289	0.4
207.12007	0.3
207.13739	1.6
235.16957	0.9
249.18512	1.0
263.20065	2.1
291.19693	0.5
306.25162	0.5
307.26239	0.4
319.26331	1.3
347.25806	17.4
348.26117	0.6
351.18268	0.4
365.26880	100.0
366.27216	5.5
366.33868	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2468
Annotation	Quinestrol
Peak:m/z	Relative Intensity
51.87420	2.7
55.05504	14.8
57.07052	6.2
61.02921	3.7
65.03925	4.0
67.05501	28.9
68.57618	2.7
69.03415	5.9
69.07047	12.6
71.27223	4.2
71.27551	3.6
78.61747	3.0
79.05492	25.9
81.03394	3.8
81.07052	32.2
82.62726	3.2
83.04975	4.7
83.08603	5.2
85.02903	3.1
85.06530	4.4
91.03951	3.2
91.05473	29.7
93.07034	35.3
95.04976	30.1
95.08591	25.2
97.02911	4.9
97.06503	4.2
105.07017	46.6
107.08575	30.0
109.06493	8.1
109.10126	11.5
111.08100	5.0
117.07013	13.0
119.08569	47.9
121.06503	6.2
121.10124	29.0
123.08060	7.8
123.11708	4.4
124.07330	3.3
128.06221	5.4
129.06985	7.9
130.07759	7.4
131.08563	28.1
133.06412	3.0
133.10135	17.7
135.08044	11.6
135.11636	7.5
137.05992	3.6
141.07007	5.7
142.07750	13.0
143.08543	25.2
144.09285	7.7
145.10120	33.4
147.07988	5.5
147.11665	10.3
149.09610	9.3
149.13237	6.6
151.07504	31.1
153.06956	3.5
155.08589	7.8
156.09326	8.3
157.10112	33.5
158.10777	6.2
159.07982	4.1
159.11676	16.5
161.09598	10.6
161.13277	7.4
165.07028	4.1
167.08588	6.5
169.10164	14.8
170.10927	5.8
171.11623	16.9
173.09528	10.0
173.13254	33.1
175.07484	3.5
175.11172	5.8
175.14650	3.5
179.08446	7.1
181.10161	15.6
182.10910	4.9
183.11711	24.1
185.13234	11.8
187.14767	4.1
189.12740	4.5
191.14351	19.1
192.09317	5.6
193.10120	11.7
194.10876	7.3
195.11647	11.9
196.12326	3.6
197.13214	11.8
199.11185	2.9
199.14879	5.6
201.12808	6.9
203.10622	3.3
203.14313	4.6
204.08652	5.5
206.10872	6.8
207.11780	14.7
207.35199	3.0
208.12381	5.0
209.13263	12.9
211.11205	3.9
211.14761	10.0
213.16370	5.9
215.14345	4.1
219.11665	4.5
221.13280	14.5
221.38522	3.3
222.14008	4.0
223.14825	10.2
225.12807	6.3
225.16264	5.4
229.15903	3.5
231.11624	3.7
233.13228	6.7
234.13962	5.8
235.14745	6.5
237.16319	7.5
239.14322	3.4
239.18037	4.4
241.15802	3.9
247.14778	4.6
248.15599	2.9
249.00591	3.4
249.16364	9.3
251.18095	4.8
253.15862	5.3
261.16293	4.5
263.18005	12.6
265.19589	3.4
267.17416	7.4
269.19220	3.3
273.22192	4.0
281.19089	5.3
289.19360	5.3
291.17334	6.5
297.18158	3.1
305.19144	4.0
329.22546	3.7
347.23566	21.4
365.24722	100.0
366.25250	11.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2319
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63699	1.0
53.03946	5.1
55.01866	9.1
55.05507	31.9
56.96546	4.1
57.03434	11.9
57.07068	1.9
59.04976	1.5
65.03932	2.3
65.42635	0.9
67.05498	36.3
67.15196	1.0
69.03428	13.6
69.07062	52.3
70.97830	2.6
71.04982	2.7
72.08158	1.1
73.02902	1.1
73.66586	1.1
79.05486	37.2
81.03422	9.4
81.07046	48.1
83.04966	6.6
83.08614	16.5
85.06526	2.0
91.05471	22.6
93.07035	27.5
95.01303	1.3
95.04958	14.3
95.08595	19.2
97.02888	17.2
97.06513	6.2
97.10162	18.6
99.04417	1.2
101.59288	1.1
103.05437	1.3
105.07018	18.0
107.04954	10.0
107.08585	16.0
107.09260	1.9
109.02817	1.1
109.06508	18.8
109.10146	12.8
111.04416	1.4
111.08024	3.1
117.07005	10.4
119.04955	1.5
119.08566	18.8
121.06481	3.4
121.10117	9.5
123.04427	1.7
123.08030	5.1
123.11681	1.4
125.09612	15.1
128.06180	1.4
129.06979	4.4
130.07732	1.3
131.08559	11.3
133.06450	3.6
133.10115	8.8
135.08043	5.3
135.11662	3.9
137.09648	6.2
143.08578	5.5
145.06500	1.9
145.10094	11.2
147.08043	9.5
147.11681	4.5
149.01210	1.4
149.09590	3.9
149.13245	2.7
153.09108	1.7
155.08536	1.9
157.10091	5.6
159.08018	2.7
159.11671	3.6
161.09605	7.2
161.13194	1.5
163.11159	3.7
165.09106	2.7
169.10143	1.5
171.10289	1.2
171.11699	3.8
173.01228	1.1
173.11742	1.5
175.11186	3.2
177.12730	2.0
180.56744	1.3
185.09612	1.6
189.11278	6.5
189.12720	1.9
191.84074	1.4
195.11870	1.4
195.13821	2.5
199.11163	1.2
199.14803	1.5
205.12265	3.3
223.11107	1.9
223.13249	30.3
227.12743	2.2
227.17804	1.8
231.09082	1.2
237.16367	1.4
245.18974	3.9
249.14915	1.7
254.85190	1.2
255.08899	1.7
255.17462	3.0
263.20038	2.0
269.10477	7.1
273.18460	25.9
285.10040	1.4
287.11594	5.1
291.19507	100.0
292.12241	2.0
292.19901	4.4
347.22107	3.5
365.15784	3.0
365.19266	7.2
365.23209	60.1
366.23541	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2304
Annotation	Galbonolide C
Peak:m/z	Relative Intensity
53.03913	1.0
55.01866	2.4
55.05507	6.1
57.03433	3.8
67.05498	9.9
69.03434	1.5
69.07068	7.8
70.06590	0.9
71.04979	2.1
71.46436	1.1
72.08150	0.9
79.05492	10.2
81.03409	1.6
81.07056	12.2
83.04979	3.2
83.08609	2.4
85.06512	1.4
90.18510	0.8
91.05480	8.1
93.07030	9.6
95.04971	4.2
95.08597	5.1
97.02864	1.4
97.06529	2.7
97.10159	1.9
99.08128	0.9
105.07026	7.5
107.04953	2.0
107.08584	5.1
109.06491	4.3
109.10140	4.4
111.04439	2.1
111.08067	1.7
113.05979	2.3
117.07001	3.3
119.08556	3.8
121.06509	2.1
121.10142	2.3
123.08054	2.0
125.09608	1.9
125.14921	0.7
129.06999	2.0
131.08543	3.6
133.06407	1.9
133.10126	5.2
135.07996	3.8
135.11693	1.6
137.09636	1.1
142.21890	0.8
143.08578	1.8
145.10092	4.2
147.08046	1.9
147.11714	1.2
149.09610	1.7
151.11198	2.0
157.10178	1.7
159.11633	2.1
161.09618	3.2
163.11179	1.1
165.09004	0.8
171.11758	1.2
175.11160	1.0
177.12837	1.1
180.60754	0.9
184.06914	1.0
185.21323	0.8
223.13306	1.9
227.18022	0.9
229.12776	1.0
249.14844	0.9
255.17435	0.9
263.19922	1.1
267.14478	3.5
273.18436	9.5
284.12936	1.4
285.15488	1.7
291.19501	13.8
333.19156	1.4
347.22083	1.8
365.22974	100.0
366.23248	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	365.2318
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	8.2
55.01870	18.8
55.05498	35.0
57.03429	31.9
57.07045	13.0
59.04721	5.5
59.04993	68.4
65.03909	4.7
67.05502	91.2
69.03410	11.7
69.07056	27.4
70.37760	16.6
71.04971	8.7
79.05489	74.0
81.03394	16.9
81.07050	85.3
83.04969	22.4
83.08601	17.9
85.06529	9.0
90.94817	6.6
91.05470	100.0
93.07031	77.5
95.04963	35.2
95.08595	48.2
95.42028	4.2
95.59901	3.4
97.06512	14.3
97.10152	6.4
98.36761	4.0
103.03807	3.4
103.69425	3.4
105.07012	79.4
107.04929	24.1
107.08577	54.1
109.06496	21.9
109.10143	58.0
111.04404	4.3
111.08051	5.9
113.06001	4.4
115.11193	7.1
117.06995	14.7
119.08583	30.3
121.06471	17.3
121.10101	25.5
123.04392	4.5
123.08045	13.5
123.11713	11.3
125.09564	7.3
129.06961	12.1
131.08534	24.0
133.06491	20.9
133.10103	96.0
135.08060	22.4
135.11688	14.2
135.29236	3.5
137.09584	10.5
139.07460	8.1
143.08534	12.6
145.06448	4.6
145.10107	17.6
147.08029	9.2
147.11638	9.8
149.09590	24.8
149.13228	6.0
151.11172	39.7
155.08495	4.4
157.10089	13.5
158.57001	3.6
159.08037	12.5
159.11673	10.0
161.09590	15.1
161.13234	7.3
163.11139	5.7
165.09142	4.9
168.73842	3.3
169.10138	4.6
169.12128	4.7
171.11685	7.7
173.09641	3.9
173.13141	6.4
173.15280	5.7
175.11151	6.0
176.21008	4.0
177.09077	10.8
179.10664	7.6
189.12735	8.2
189.62128	3.6
199.11101	4.5
223.13176	4.1
231.13788	7.6
245.18991	11.7
253.14340	26.5
255.17300	4.2
257.08374	8.8
263.20041	10.1
269.13788	9.9
273.18451	54.4
291.19577	31.9
296.16510	4.8
347.22110	8.7
365.10236	7.1
365.14017	10.4
365.18259	5.6
365.23151	71.5
365.27914	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2318
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	8.2
55.01870	18.8
55.05498	35.0
57.03429	31.9
57.07045	13.0
59.04721	5.5
59.04993	68.4
65.03909	4.7
67.05502	91.2
69.03410	11.7
69.07056	27.4
70.37760	16.6
71.04971	8.7
79.05489	74.0
81.03394	16.9
81.07050	85.3
83.04969	22.4
83.08601	17.9
85.06529	9.0
90.94817	6.6
91.05470	100.0
93.07031	77.5
95.04963	35.2
95.08595	48.2
95.42028	4.2
95.59901	3.4
97.06512	14.3
97.10152	6.4
98.36761	4.0
103.03807	3.4
103.69425	3.4
105.07012	79.4
107.04929	24.1
107.08577	54.1
109.06496	21.9
109.10143	58.0
111.04404	4.3
111.08051	5.9
113.06001	4.4
115.11193	7.1
117.06995	14.7
119.08583	30.3
121.06471	17.3
121.10101	25.5
123.04392	4.5
123.08045	13.5
123.11713	11.3
125.09564	7.3
129.06961	12.1
131.08534	24.0
133.06491	20.9
133.10103	96.0
135.08060	22.4
135.11688	14.2
135.29236	3.5
137.09584	10.5
139.07460	8.1
143.08534	12.6
145.06448	4.6
145.10107	17.6
147.08029	9.2
147.11638	9.8
149.09590	24.8
149.13228	6.0
151.11172	39.7
155.08495	4.4
157.10089	13.5
158.57001	3.6
159.08037	12.5
159.11673	10.0
161.09590	15.1
161.13234	7.3
163.11139	5.7
165.09142	4.9
168.73842	3.3
169.10138	4.6
169.12128	4.7
171.11685	7.7
173.09641	3.9
173.13141	6.4
173.15280	5.7
175.11151	6.0
176.21008	4.0
177.09077	10.8
179.10664	7.6
189.12735	8.2
189.62128	3.6
199.11101	4.5
223.13176	4.1
231.13788	7.6
245.18991	11.7
253.14340	26.5
255.17300	4.2
257.08374	8.8
263.20041	10.1
269.13788	9.9
273.18451	54.4
291.19577	31.9
296.16510	4.8
347.22110	8.7
365.10236	7.1
365.14017	10.4
365.18259	5.6
365.23151	71.5
365.27914	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.232
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64225	0.8
53.03930	4.0
55.01866	9.3
55.05507	28.8
57.03432	11.8
57.07051	1.4
65.03929	1.2
66.97169	0.8
67.05497	39.8
69.03423	11.7
69.07061	37.2
70.32553	4.1
71.04978	3.5
71.08649	1.0
72.93747	1.1
77.03902	1.2
79.05487	31.7
81.03432	5.1
81.03805	1.0
81.07050	33.7
83.04958	8.2
83.08623	10.8
85.06540	2.2
87.34523	0.8
91.05466	24.8
91.06039	1.5
93.07034	25.8
95.04959	11.9
95.08011	1.3
95.08600	15.3
97.02889	14.6
97.06538	4.4
97.10159	14.0
98.21431	1.2
98.91988	0.9
103.05451	1.5
104.13313	1.0
105.07023	21.2
107.04950	10.7
107.08583	21.7
109.06516	4.9
109.10148	16.5
111.04428	1.5
111.08074	4.3
115.05459	1.2
116.68566	1.0
117.06997	10.3
119.08566	14.9
121.06481	3.9
121.10123	7.3
123.08054	5.5
123.11673	2.7
125.09615	13.4
128.06261	0.9
129.07014	5.1
131.08553	12.5
133.06509	4.8
133.10120	17.5
135.08037	8.6
135.11665	3.8
137.09613	2.6
139.07516	1.2
139.11150	1.5
143.08534	4.0
145.06503	1.1
145.10072	6.2
147.08049	6.4
147.11639	3.5
149.09616	6.3
149.13217	3.0
151.11168	8.4
153.09073	1.8
153.12827	0.9
155.08577	1.0
157.10098	2.8
159.08015	2.7
159.11685	3.9
161.09660	5.3
161.13255	1.1
163.11200	1.9
165.09064	2.5
169.10103	2.1
169.12230	1.6
169.53203	1.2
171.10280	1.0
171.11659	2.6
173.09586	1.2
173.11751	1.5
175.11153	4.3
177.09079	2.2
177.12721	1.8
179.10698	1.5
185.13208	1.5
189.11208	7.4
189.12686	1.4
193.12238	1.3
195.13814	1.8
199.11060	1.2
199.14642	0.9
205.12189	1.8
206.68600	1.0
213.12694	1.0
223.13263	29.7
227.12836	1.9
227.18002	1.4
243.09050	2.2
245.04608	1.1
245.19005	5.2
249.14871	1.5
253.14240	2.5
255.17509	2.2
261.10345	1.5
263.19907	1.9
273.18463	23.9
274.18604	1.1
291.19510	100.0
292.19861	2.0
347.12866	1.2
347.22092	2.2
365.23187	65.2
366.23676	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.232
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.3
55.01868	7.6
55.05505	30.6
57.03432	9.3
57.07055	1.3
67.05149	1.5
67.05500	35.6
69.03425	12.1
69.07064	38.2
69.68955	1.0
71.04963	3.5
72.93777	1.4
75.69011	0.9
79.05492	25.8
81.03407	6.6
81.07046	24.9
83.04961	6.0
83.08612	11.6
90.94834	1.6
91.05471	17.1
93.07037	19.9
95.04951	8.9
95.08598	15.3
97.02892	14.8
97.06508	3.5
97.10157	16.5
105.07027	8.8
107.04975	8.2
107.08572	16.2
109.06493	3.6
109.10155	11.4
111.04427	1.4
111.08056	2.8
115.05405	1.8
117.07003	7.9
119.08577	12.4
121.06509	3.5
121.10128	7.4
123.08043	4.2
123.11668	1.2
125.09631	14.1
127.17927	0.9
129.06976	3.0
131.08525	8.6
133.06471	2.4
133.10136	6.8
135.08023	4.1
135.11653	3.8
137.05948	1.8
137.09573	3.6
141.06949	1.1
143.08534	3.1
143.10651	1.1
145.06432	1.3
145.10104	4.7
147.08022	4.6
147.11690	3.4
149.06056	1.3
149.09578	1.9
149.13252	2.5
151.11121	1.3
157.10115	2.2
159.11682	3.7
161.09540	2.6
163.11137	3.0
165.09090	3.3
166.97856	1.4
171.11615	1.7
175.11134	2.3
177.12758	2.6
179.10767	1.5
189.11209	7.3
193.12238	2.1
195.13754	1.6
205.12222	2.7
223.13272	30.5
223.15331	2.2
224.13789	1.2
227.17917	1.4
227.79556	1.1
245.18999	2.5
245.64194	1.0
249.14792	1.2
273.18448	13.0
291.19507	100.0
292.19785	2.3
347.12906	4.6
365.14102	1.6
365.23224	33.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2312
Annotation	Galbonolide C
Peak:m/z	Relative Intensity
50.70995	1.0
52.13976	1.0
53.03926	2.9
55.01859	2.8
55.05515	6.3
55.93523	1.3
57.03417	3.6
59.59871	1.2
63.33473	0.9
67.05505	12.9
69.03399	1.9
69.07061	4.6
70.40130	3.8
71.05004	1.2
72.93773	1.5
79.05492	9.8
80.42803	0.8
81.03391	1.7
81.07055	17.2
83.04974	2.9
83.08601	2.6
85.06537	1.0
90.94820	1.5
91.05476	13.4
93.07049	11.8
95.04942	4.3
95.08614	7.1
97.06547	1.7
97.10153	1.3
100.32214	0.9
105.07040	10.3
107.04927	3.8
107.08590	8.8
109.06506	1.7
109.10144	4.8
111.08080	1.7
114.55387	0.9
117.07000	3.6
119.08572	5.7
121.06484	2.9
121.10130	4.2
123.08048	1.3
123.11703	1.2
125.83131	1.0
129.07066	1.7
131.08546	6.1
133.06476	3.2
133.10126	9.8
135.08067	4.7
135.11661	1.7
143.08536	2.9
145.10110	3.4
147.08022	1.5
147.11690	2.8
149.09625	5.6
151.11157	5.1
157.10065	2.7
159.08025	1.5
159.11673	1.7
161.09605	3.4
163.11227	1.8
171.11705	1.3
175.11137	2.2
177.09169	1.9
182.56165	1.2
183.11694	1.3
193.12195	3.0
196.69870	1.0
198.64557	1.1
203.05302	1.1
209.13040	1.0
209.60934	1.1
245.19017	2.8
253.14360	1.9
255.06955	1.2
257.08383	4.5
259.14008	2.2
263.20035	3.0
269.13885	1.0
273.18445	9.3
291.19681	5.3
313.07111	1.1
365.10373	3.1
365.14246	4.5
365.23007	100.0
366.23227	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	365.2319
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.0
55.01859	4.9
55.05508	29.5
57.03207	0.8
57.03434	9.8
59.04984	1.7
65.03916	1.6
67.05138	1.5
67.05499	33.1
69.03426	13.7
69.07064	40.7
69.67366	6.8
71.04987	2.1
78.95741	0.8
79.05486	30.2
81.03400	4.1
81.06601	1.6
81.07053	22.9
83.04962	4.9
83.08611	8.6
85.06468	1.2
91.05473	16.8
93.07036	20.7
94.04135	1.4
95.04958	9.7
95.08592	12.2
97.02882	15.4
97.06528	5.2
97.10160	17.9
105.03371	1.6
105.07025	12.6
107.04945	7.3
107.07912	1.3
107.08588	15.4
109.02831	1.1
109.06493	3.7
109.10149	10.8
111.08060	2.9
115.05380	1.3
117.07020	7.2
119.08571	14.2
121.06494	3.4
121.10157	4.4
121.10908	0.9
123.08041	3.8
125.09618	12.7
129.06967	3.9
131.08566	6.2
133.06461	3.4
133.10092	5.3
135.08078	5.2
135.11668	3.6
137.05940	1.4
137.09570	5.4
143.08571	4.7
145.06403	1.3
145.10100	5.8
147.08049	7.3
147.11670	3.7
149.09613	2.7
149.13232	2.0
153.09117	1.8
157.10123	2.9
159.11700	4.2
161.09612	3.2
165.09111	2.3
171.10213	1.4
171.11662	1.7
175.11163	2.2
177.12788	1.9
189.11221	7.5
195.13826	3.0
205.12247	2.8
223.13272	29.5
227.12816	2.9
245.19083	2.9
255.09109	2.3
255.17416	1.3
263.19968	2.4
273.10135	2.3
273.18475	18.8
273.21429	1.3
291.19519	100.0
292.19937	2.9
331.93051	0.9
339.76529	1.2
347.22012	1.2
365.10483	2.6
365.16110	2.2
365.23199	60.6
366.23395	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2317
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69701	1.4
51.70292	1.3
53.03933	3.2
55.01867	9.4
55.05502	38.3
56.55178	1.3
56.96545	3.1
57.03426	15.2
65.03931	1.5
66.23578	1.2
67.05495	42.6
69.03425	19.4
69.06688	2.8
69.07059	51.9
70.06585	1.7
70.17801	7.3
71.04975	4.8
71.08631	1.3
73.02877	1.3
77.16449	1.6
77.91860	1.3
79.05482	36.9
79.88917	1.2
80.52885	1.2
81.03410	8.1
81.07046	36.9
83.04969	8.5
83.08612	14.2
83.27228	1.3
84.72179	1.3
85.02872	1.5
85.06499	2.3
91.05470	23.3
93.07031	24.3
94.04169	2.1
95.04960	13.8
95.08586	17.2
97.02887	19.7
97.06511	4.6
97.10160	18.9
98.97572	1.7
105.07014	19.6
107.04942	10.5
107.08580	21.2
109.06502	7.1
109.10141	15.8
111.04424	1.4
111.08059	3.7
117.07014	12.5
119.04944	1.7
119.08559	21.0
120.08895	2.0
121.06480	4.6
121.10123	10.4
123.08058	5.8
123.11719	1.6
125.09605	19.1
129.06992	4.9
131.00122	1.6
131.08525	11.6
133.06458	3.2
133.10109	11.2
135.08046	9.3
135.11659	4.2
136.92464	1.4
137.09578	4.5
143.08546	6.1
145.06459	1.9
145.10101	10.9
147.08000	8.3
147.11658	5.0
149.01167	2.3
149.09642	6.3
149.13286	2.2
151.11151	3.2
155.08498	1.5
157.10114	5.4
159.08055	2.5
159.11665	4.2
161.09613	5.5
161.13376	1.7
163.11163	3.6
164.90579	1.3
165.09103	3.2
169.10059	2.0
171.11688	3.6
173.09657	1.7
173.11710	2.4
175.11154	4.0
177.09068	1.7
177.12727	4.0
181.12100	1.7
189.11162	10.2
193.12076	2.1
195.13803	4.3
205.12175	3.5
223.13269	33.3
224.11284	1.5
227.17903	2.8
237.16486	1.4
245.18999	4.1
249.14890	1.6
255.17445	2.7
263.20139	3.2
273.18463	31.5
284.12689	17.3
284.62784	2.9
291.19504	100.0
292.19846	2.0
347.22150	1.9
365.10831	1.7
365.15445	5.2
365.23087	71.3
366.23340	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1339
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	1.1
55.05482	0.9
57.03391	0.9
60.04488	0.9
67.05470	1.2
69.03382	2.6
69.07045	0.8
69.47909	2.7
69.48346	3.9
70.06567	2.1
72.08125	0.9
79.05457	0.9
81.03394	0.9
81.07023	1.0
84.04455	1.4
84.08100	1.1
85.02888	0.9
86.09669	1.0
91.05435	2.4
92.04991	0.7
95.04917	2.4
95.08591	0.7
97.02806	0.9
97.06466	0.8
98.06011	0.8
99.04365	0.8
103.76830	0.6
105.06982	0.9
106.00893	0.8
107.04888	0.7
115.14246	0.6
118.06532	0.8
119.04888	0.6
120.04436	0.9
120.08070	1.0
121.02807	0.6
122.05978	2.8
124.03980	0.7
127.03923	1.5
130.06592	0.7
133.06468	1.1
138.05444	2.4
140.07065	3.2
144.08035	0.7
146.09645	0.9
147.04347	0.8
147.07964	1.0
148.03893	1.9
148.07539	6.5
149.02356	3.5
150.05385	1.1
156.07962	0.9
158.06032	1.0
160.07552	1.6
161.05966	1.1
161.07140	0.9
162.05414	1.2
166.04973	6.3
168.06516	2.7
168.07927	1.0
170.09651	0.9
171.09175	1.6
172.07561	5.1
174.09135	3.2
175.03879	2.5
175.07436	0.9
175.08665	8.2
176.07072	11.3
176.09428	0.8
178.08537	1.0
182.06006	1.0
184.07545	1.1
185.07101	2.0
185.10759	0.8
186.05475	1.7
186.07658	0.7
186.09149	1.3
187.08839	0.8
189.06543	1.0
189.10287	3.6
190.08588	2.0
191.08159	1.0
194.04451	0.9
194.08087	1.3
195.09036	0.8
196.07536	2.1
198.09177	1.1
199.08679	10.3
200.07103	6.3
201.10097	0.8
202.07019	0.8
202.08607	2.8
203.08144	20.6
204.06470	2.1
204.08540	0.8
207.11241	1.3
213.10196	6.4
214.08762	4.0
215.11748	1.2
216.10228	1.7
217.06396	1.1
217.09732	21.1
218.08086	1.7
222.07478	1.3
223.08694	1.0
224.07043	2.0
226.08742	1.2
227.08150	18.0
228.06459	3.0
228.08598	1.6
229.09691	2.7
231.07625	2.3
231.11266	2.2
233.09224	0.8
235.10776	4.4
241.09724	11.9
242.08139	6.9
243.11281	1.5
244.09506	0.8
245.09212	53.3
246.07581	2.1
246.09659	2.1
247.10854	3.3
250.07062	1.2
255.07573	0.9
255.10185	0.9
259.07114	0.6
259.07852	0.9
259.10776	13.4
260.08984	0.8
263.10251	31.0
264.10748	1.1
269.09232	5.5
270.07571	1.6
271.10788	1.6
273.08658	4.5
277.11841	2.2
287.10257	25.7
289.11710	2.5
291.09772	8.5
297.08774	1.0
305.11288	99.1
306.11594	4.5
315.09671	4.0
323.12344	29.0
324.12637	2.0
333.10760	20.4
333.14804	1.0
334.11102	1.3
337.07098	0.9
347.12299	1.1
353.24551	0.8
365.06894	4.8
365.13416	100.0
366.13763	6.4
376.00220	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1337
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	1.8
55.05487	1.0
56.04993	1.0
60.04509	1.6
66.80569	0.8
67.05491	1.4
68.99776	1.9
69.07047	1.6
69.74544	5.2
70.06568	3.4
70.61678	0.7
71.04990	1.4
72.08138	2.7
79.05489	2.1
81.07036	2.0
84.04507	0.8
84.08134	2.5
86.03390	0.7
86.09679	2.5
91.05473	1.7
93.07024	1.2
93.24213	0.7
95.04948	1.6
95.08609	0.7
96.04478	1.5
97.06535	1.3
98.06015	0.9
105.66087	0.7
107.04930	0.9
119.04944	1.0
119.08582	0.9
119.45724	0.7
120.04418	1.5
120.08091	2.9
121.02847	3.3
122.05994	2.9
124.03970	0.8
129.10240	1.0
129.13818	1.0
133.10068	1.2
134.05988	1.0
137.02339	2.4
138.05457	3.8
140.07043	2.8
143.08572	0.9
144.08096	1.0
146.09512	1.1
147.04393	1.7
147.08090	1.6
148.03922	1.8
148.07533	7.8
156.06667	0.8
158.06041	1.3
160.07516	1.4
162.05418	1.2
164.07008	0.9
166.04948	7.6
168.06537	3.0
168.07967	0.9
171.09167	2.3
172.07510	5.5
174.07869	1.0
174.09134	4.2
175.03873	2.1
175.07463	0.9
175.08685	7.6
176.07050	9.7
176.09476	1.5
177.10309	1.1
178.08614	1.3
179.03362	1.3
184.07549	1.6
185.07149	2.1
185.10690	1.7
189.06577	1.2
189.10287	6.0
190.08568	4.8
191.08176	1.3
194.04430	1.1
194.08107	1.1
196.07523	1.6
198.07556	1.1
198.09198	2.1
199.08662	8.9
200.07042	6.5
200.08920	1.1
201.10193	1.9
202.08595	2.7
203.03371	2.7
203.08141	24.6
204.06490	1.5
204.08649	1.3
207.11293	1.5
213.06714	0.8
213.10234	5.8
214.08644	3.1
215.11804	0.9
217.06485	1.2
217.09755	24.4
218.08269	1.7
218.10204	1.3
219.11244	1.0
221.04390	1.2
224.07077	2.0
227.08188	20.4
228.06633	3.9
228.08553	1.6
229.09669	2.6
230.08072	1.1
231.02873	0.9
231.07573	1.8
231.11307	1.2
235.10704	6.5
241.09700	11.6
242.08055	8.1
242.10236	1.0
243.11285	1.2
244.09554	1.0
245.09212	58.2
246.07639	2.1
246.09767	1.4
247.10806	3.3
250.07050	1.2
255.10104	0.9
259.10751	15.3
260.09155	1.6
261.08701	0.9
263.10248	39.9
264.10449	1.9
269.09109	4.5
270.07556	1.4
271.10660	1.3
273.08676	4.8
277.11838	2.1
287.10251	26.0
289.11612	3.8
291.09677	8.6
297.08813	0.9
305.11285	100.0
306.11639	5.8
309.07559	1.5
309.10986	0.8
311.05499	1.4
313.35291	0.8
315.09729	4.7
323.12338	40.9
324.12695	1.1
333.10831	19.0
333.95801	0.8
337.07071	4.5
337.10620	1.0
347.12454	0.8
365.06650	18.8
365.13449	99.9
366.06699	1.3
366.13751	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	365.1051
Annotation	Unknow
Peak:m/z	Relative Intensity
65.90720	0.6
71.25594	0.9
71.25922	1.0
97.33110	0.5
98.21347	0.6
113.59897	0.7
140.38425	0.5
185.04199	27.0
203.05243	62.4
258.32874	0.6
293.84625	0.6
365.10510	100.0
366.10947	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1052
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96387	0.7
53.40352	0.6
71.01739	0.9
71.02044	0.8
79.63440	0.6
84.48363	0.7
88.48460	0.6
91.71924	0.6
93.90598	0.7
136.84148	0.8
176.19594	0.7
183.37746	0.8
185.04201	24.3
203.05246	56.8
280.48053	0.7
285.62256	0.8
364.38156	0.7
365.10526	100.0
366.10999	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1293
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99309	0.9
53.61133	0.9
55.01847	1.0
56.96551	6.7
57.03432	1.2
69.03412	2.7
70.06581	2.8
70.98080	1.3
71.10170	3.1
72.08133	1.3
73.02903	1.4
81.03391	1.4
84.08125	5.4
85.02897	6.0
85.06519	3.2
85.50336	1.1
86.09694	1.4
88.52027	0.9
90.14549	0.9
97.02893	2.4
97.06473	1.0
98.97556	7.0
101.00867	3.3
110.97575	2.4
113.00864	1.6
115.02435	2.1
116.07014	1.1
116.98636	4.9
118.58044	1.0
119.01912	9.9
119.04890	0.9
120.08039	1.0
128.98596	3.3
129.03954	1.8
131.00198	1.3
131.01892	9.4
131.05548	5.8
133.03430	6.3
134.99585	1.6
136.81728	1.1
137.02914	1.3
143.00139	1.8
143.01883	3.9
145.03473	5.7
146.99617	3.3
147.05035	1.8
149.06590	14.0
151.04497	1.4
155.01869	6.0
155.05490	1.8
156.02542	1.2
157.03453	3.4
158.99631	2.5
159.05032	3.5
161.01160	2.4
161.02953	6.2
161.05486	1.1
161.06610	10.4
163.02571	1.3
165.00771	1.9
167.05539	1.1
170.05777	1.5
171.05034	2.9
173.02925	10.1
173.06592	12.1
175.02736	1.4
175.04483	2.0
177.00641	2.1
179.07652	2.7
185.02922	3.0
185.04343	2.4
185.06564	14.1
187.08234	1.9
188.97009	1.9
189.00703	1.4
189.06049	2.5
191.07597	2.8
193.00111	1.2
197.06606	4.6
199.08109	1.9
201.06094	1.0
202.04845	1.2
203.02271	1.5
203.03726	2.7
203.05312	6.3
203.07637	23.0
209.06590	2.8
210.04718	1.2
213.06035	1.6
215.07611	24.7
217.09215	3.9
219.01694	3.5
220.65627	1.0
221.03040	1.9
221.05022	15.0
221.06934	1.7
223.04778	2.5
227.07674	2.0
230.98232	1.4
231.07118	1.3
237.02658	4.9
239.07718	6.6
245.04994	3.6
245.08728	2.9
247.02983	1.3
255.03772	1.7
257.08704	2.8
261.08157	2.9
263.00705	1.1
265.05936	3.2
275.09848	7.7
279.09229	4.3
287.09714	2.5
293.01706	1.1
293.05191	1.5
305.10785	100.0
306.11084	5.7
321.10159	1.5
323.11914	9.8
365.09946	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	364.3205
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07584	0.8
53.03931	3.1
53.72409	0.9
55.01858	1.1
55.05509	23.6
57.07059	2.4
60.08151	4.3
63.81941	0.8
65.03918	2.7
67.05499	62.4
69.07066	23.7
71.04979	1.9
73.02898	1.7
79.05489	39.2
81.07050	50.7
82.07310	1.0
83.04972	1.3
83.08619	7.5
85.06544	1.0
86.09663	1.4
91.05473	17.1
93.07038	39.9
95.04968	4.8
95.08600	29.1
97.06510	2.1
97.10147	3.6
98.21560	1.9
99.04442	3.1
105.07040	8.4
107.07911	1.6
107.08589	22.2
107.94347	0.8
109.06509	1.9
109.10162	12.3
113.06047	0.9
117.07041	2.2
119.08559	5.6
121.10139	13.3
123.08001	0.9
123.11680	2.8
131.08571	2.3
133.10103	4.6
135.11688	7.2
138.53195	0.8
145.10117	1.2
147.11676	2.6
149.13182	5.1
159.11633	1.0
161.13249	1.4
163.14862	2.5
200.15570	0.9
215.06895	0.9
229.67525	0.9
229.91873	1.1
264.37857	0.9
305.24728	90.0
306.25015	4.1
314.57178	0.9
332.16339	1.1
364.32068	100.0
365.32410	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	364.2842
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.6
53.99860	0.5
55.05506	3.4
57.07058	0.5
63.41710	0.5
67.05495	8.6
68.05005	0.8
69.03425	5.1
69.07060	2.4
70.17333	2.9
71.08620	1.0
79.05486	6.7
81.07052	8.2
83.08604	1.6
86.06061	100.0
87.04460	16.4
87.06377	0.7
91.05481	3.6
93.07034	7.7
95.04996	0.6
95.08607	5.7
97.06548	0.9
99.08071	0.9
104.07098	22.4
105.06994	2.7
107.08591	4.5
109.10195	2.7
109.10823	0.5
110.06033	6.8
112.32104	0.5
115.48694	0.5
117.07017	1.2
119.08556	1.6
121.10168	3.4
123.11726	0.6
131.08569	2.3
133.10135	1.4
135.11705	1.9
145.10153	1.6
147.11664	1.0
149.13258	2.1
156.09415	0.5
159.11711	1.3
161.13284	1.0
163.14795	0.6
173.13261	0.9
187.14806	0.8
187.21396	0.6
223.90506	0.5
233.22713	0.6
243.21193	1.1
245.35002	0.6
261.22171	6.4
272.08899	0.6
279.33942	0.6
305.24655	1.2
318.24219	1.5
336.25455	1.1
346.23679	1.0
346.27707	0.9
364.17780	0.6
364.24832	2.0
364.28574	1.7
364.32349	1.2
365.10626	1.0
365.24588	0.7
365.28708	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.2844
Annotation	Unknow
Peak:m/z	Relative Intensity
61.87663	8.3
67.05491	34.2
69.07052	24.1
69.43188	78.9
70.06588	8.0
79.05486	43.4
81.07063	40.8
82.06583	15.3
84.08140	28.9
91.05465	28.8
93.07030	34.6
94.06548	39.1
95.04967	9.0
95.08598	33.1
96.08154	9.1
98.21423	14.1
105.07040	25.4
107.08573	20.8
109.10154	10.4
112.07615	8.7
119.08582	21.3
121.10112	7.9
124.11271	15.3
127.54362	8.6
127.64275	8.8
136.11270	10.1
145.10110	13.0
146.09586	8.0
152.10704	9.4
162.50293	8.4
215.97620	8.5
226.17981	23.4
266.21155	22.7
311.29825	8.1
346.27350	25.3
364.28467	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.269
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.6
55.01864	1.0
55.05499	3.1
56.05033	4.4
57.03437	0.9
60.04519	100.0
65.03945	1.1
67.05502	9.1
67.67240	0.7
68.05032	0.9
69.07068	2.2
69.81835	0.6
70.06609	3.5
71.05005	1.2
71.27042	1.8
72.04518	4.0
74.06070	2.0
79.05488	9.3
80.05023	1.2
81.03430	1.2
81.07047	12.9
82.06569	1.8
83.04976	1.3
83.08589	0.8
83.92815	0.8
84.04498	1.0
84.08138	1.8
85.02897	1.1
85.06532	3.9
86.09718	2.1
90.05556	1.0
91.05473	10.3
93.07037	7.9
94.06579	1.7
95.04977	1.3
95.08589	7.2
96.08102	0.9
97.06533	1.0
99.08102	2.7
102.05522	0.9
102.13464	0.7
105.07034	4.3
107.04944	0.9
107.08556	3.5
109.10158	1.6
111.08101	1.2
111.13992	1.0
112.07697	1.0
116.07121	1.7
117.07031	3.1
119.08556	4.1
121.10139	3.8
123.11707	0.8
128.06221	1.1
129.06989	1.9
129.10188	0.9
131.08559	2.8
133.10114	3.8
135.11716	2.1
139.11238	0.8
143.08566	1.2
145.10161	2.3
147.08096	1.1
147.11728	1.6
149.13318	0.8
159.11652	1.2
167.10683	0.8
175.14825	0.9
187.14528	1.2
230.17551	1.0
274.21701	1.3
275.20273	0.9
292.22815	3.4
310.23813	5.5
328.24789	16.1
328.28366	1.3
329.25201	0.9
346.25858	65.2
347.26309	3.4
364.26794	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.2691
Annotation	Broussonetine S
Peak:m/z	Relative Intensity
53.03943	1.1
53.28954	0.5
55.01870	0.6
55.05505	2.3
55.74343	0.5
56.05027	2.5
57.03433	2.0
60.04520	100.0
61.04853	0.8
65.03963	0.7
67.05502	7.0
68.05042	0.7
69.07072	1.8
70.06595	1.4
70.80972	0.9
70.81315	1.4
71.04979	1.3
72.04517	2.7
74.06078	1.3
74.84485	0.5
79.05491	7.3
79.05919	0.7
79.55638	0.6
80.04984	1.4
81.03414	1.1
81.07050	9.2
81.86747	0.5
82.06569	1.1
83.04976	0.8
83.08621	0.8
85.06527	1.5
90.05582	0.9
91.05474	7.7
93.07032	8.4
94.06583	1.3
95.04970	1.9
95.08589	5.4
96.08131	0.8
105.07028	5.4
106.06522	0.7
107.08601	3.9
109.06507	0.7
109.10181	2.6
112.07635	0.9
116.07144	0.6
117.06998	2.7
119.08553	4.5
120.08093	1.0
121.06499	0.8
121.10153	3.0
123.08099	0.7
129.06998	1.6
131.08527	2.7
133.10068	2.8
134.09676	0.6
135.11726	1.6
145.10161	2.5
147.11751	1.8
157.10144	1.3
161.13396	0.8
163.02817	0.6
171.11618	0.7
173.13361	1.4
185.13185	0.6
189.16548	0.7
255.92599	0.7
274.21652	1.3
275.20142	1.1
292.22711	3.0
310.23700	4.7
328.24826	10.0
346.25848	70.6
347.26169	3.7
364.26935	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	364.102
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03210	0.7
51.02366	1.0
53.03944	7.5
53.10872	0.8
55.01860	6.5
57.03413	3.4
59.14638	0.9
60.04519	7.4
61.02922	6.5
63.02351	0.9
65.03913	1.1
67.05493	1.1
68.99782	6.4
69.03423	17.0
69.51527	1.7
69.51926	7.7
70.06570	1.8
71.01346	1.2
71.04964	3.6
72.51744	0.9
73.02909	2.2
79.05474	3.5
81.03409	38.5
81.07012	1.0
83.68798	0.8
84.73496	0.8
85.02901	14.4
86.09695	1.4
87.00822	11.8
89.03893	3.6
91.05473	5.7
95.04959	1.2
97.02886	11.3
99.04446	9.8
103.03928	5.8
103.05445	8.2
105.01848	3.1
105.03349	2.9
106.06547	12.3
107.04917	1.8
109.02867	61.4
115.05460	1.1
116.04966	88.0
117.01784	1.1
117.05769	1.4
117.07013	1.5
118.06527	31.4
120.08093	1.8
125.02299	1.0
127.03893	19.5
127.34694	0.8
129.01823	7.9
130.06511	29.1
131.04932	0.9
132.04417	5.0
132.08092	7.9
133.05205	1.8
134.05997	93.5
135.06294	1.9
142.06505	2.3
143.07288	3.4
144.04436	2.4
144.08054	13.9
145.04935	4.4
145.06461	1.1
146.05991	10.0
147.02861	3.2
148.07573	1.5
153.01820	0.9
154.06468	1.3
156.08167	1.1
158.06001	100.0
159.02885	2.1
159.06396	1.8
160.07559	9.6
162.05447	5.4
167.07324	1.3
168.08083	4.7
170.05978	3.8
172.07555	15.7
176.07063	6.0
186.05516	4.7
186.09079	4.2
188.07019	8.8
190.08636	1.5
196.07529	4.8
200.07065	15.0
202.08556	1.0
212.07048	1.0
213.03943	3.0
214.08588	6.3
223.06099	1.0
224.07100	4.1
231.05035	3.4
242.08093	18.4
260.09137	3.7
302.10117	1.9
320.11346	3.1
328.24738	2.7
346.09055	3.9
346.25781	2.5
362.20645	0.8
364.10217	42.6
364.26691	1.6
365.10468	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.211
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02354	0.7
53.03938	5.9
55.01869	8.5
55.05504	4.8
56.96542	2.2
57.03425	0.9
65.03923	1.5
66.48032	0.6
67.05497	18.3
68.05013	2.6
69.03415	1.8
69.07066	3.0
69.93961	0.6
69.96420	1.2
69.96826	3.2
70.02962	0.7
70.06589	11.7
70.19526	0.5
71.01333	0.7
71.04978	4.1
72.08140	1.9
79.05482	13.9
81.03410	13.5
81.07048	20.9
82.03743	0.6
82.06563	1.6
83.04972	2.5
83.08606	2.0
84.08134	0.9
85.06549	1.0
91.05469	11.9
93.07036	14.6
94.06554	3.0
94.07378	0.7
95.01331	1.6
95.04958	6.3
95.08601	11.7
96.08119	9.9
97.06512	1.8
97.10168	1.1
98.06023	1.5
98.97611	0.6
100.07594	2.4
105.07013	7.6
106.06541	1.4
107.04942	21.4
107.08570	4.9
108.08087	1.4
109.06498	2.5
109.10117	1.2
111.08075	2.3
112.03949	0.6
112.07581	1.6
114.05510	2.1
114.09177	0.9
117.06999	6.0
118.06511	1.0
119.04891	1.4
119.08564	4.4
120.08085	3.8
121.06483	3.3
121.10122	2.3
122.06022	14.4
123.04489	1.3
123.08057	5.1
124.07558	1.4
128.06171	1.0
128.07056	2.4
129.06993	1.6
131.00168	1.0
131.04875	0.9
131.08556	5.0
132.08020	0.9
133.06474	1.7
133.09108	0.6
133.10109	3.0
134.09680	2.8
135.08035	2.0
135.11696	7.0
136.07559	5.7
138.09082	0.7
140.07045	38.3
141.07018	1.8
142.07510	1.1
142.08620	16.9
143.08525	2.9
145.06482	4.8
145.10133	3.4
146.09613	0.7
147.07986	1.5
147.11717	1.0
148.07545	2.4
148.11182	1.2
149.01196	1.6
149.09607	1.1
149.13260	2.7
150.09145	0.7
155.08472	0.7
157.10124	1.3
159.08034	1.9
159.11678	8.0
160.11195	0.9
161.09596	1.3
162.09158	1.6
163.11186	1.6
164.07076	2.1
168.06554	23.6
169.10135	3.6
171.11754	1.3
176.10701	0.6
177.12755	5.0
178.08656	0.9
180.06580	1.9
180.10268	1.6
181.10226	0.7
185.13252	0.7
187.11174	8.4
195.13812	5.8
203.10127	1.0
205.12257	3.6
212.10634	1.6
223.13245	5.5
241.14328	23.7
255.09055	2.3
272.17349	1.0
272.19989	1.3
273.10098	0.9
273.18506	0.9
284.12720	9.3
290.21124	1.5
300.19568	11.0
318.20596	30.7
319.20874	1.3
336.21826	0.8
346.20206	6.4
347.73877	0.6
349.16696	0.9
364.21158	100.0
365.15961	3.7
365.21475	4.6
372.80829	0.6
383.17365	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.2163
Annotation	Nelumol B
Peak:m/z	Relative Intensity
53.65300	0.5
55.05505	3.1
57.03423	0.6
57.07059	1.0
65.81029	0.5
67.05499	4.3
69.03413	1.6
69.06686	0.9
69.07061	16.9
69.57195	2.1
69.57633	3.1
71.04975	1.6
71.08608	0.9
74.55758	0.6
79.05475	1.6
81.07035	3.7
83.01320	6.5
83.08582	1.0
89.06003	1.2
91.05473	2.7
93.07027	6.3
95.04948	1.3
95.08576	1.6
97.06538	0.7
98.21458	1.0
105.07011	2.6
107.08580	5.5
108.08958	0.5
109.06521	1.2
109.10143	5.7
111.11697	1.2
113.05975	0.8
115.05421	0.7
116.25024	0.5
117.07022	0.6
119.08559	2.2
121.06506	7.1
121.10136	1.7
123.08046	0.7
123.11671	3.4
127.11225	0.7
128.06200	1.0
129.06996	0.9
131.08556	4.2
133.06458	0.7
133.10139	1.2
135.08029	8.6
135.11661	6.2
143.08531	0.9
145.06517	0.8
147.04329	0.7
147.08014	0.9
149.05946	1.0
149.09599	5.6
153.05437	2.8
159.08052	7.4
161.05933	1.0
161.09576	1.6
162.06735	8.1
163.07542	9.8
163.16275	0.5
165.05472	0.8
165.09026	0.9
171.08051	0.6
173.09613	1.2
175.07576	0.7
177.05432	0.7
177.09091	15.5
178.07326	0.5
178.09525	0.6
187.07562	5.6
187.11105	1.3
189.09094	7.1
191.07040	3.8
193.08583	1.6
197.09552	0.8
200.08177	0.9
201.09062	0.8
203.07074	1.0
203.10628	0.7
204.07834	0.8
205.08578	73.0
206.08907	1.2
207.10179	1.7
211.09700	2.8
217.08575	4.7
217.12149	0.7
219.10086	3.0
223.09625	100.0
224.09962	3.5
228.07907	1.2
228.80330	0.6
229.08534	2.0
229.12169	0.6
231.10037	0.7
231.13815	0.8
235.09680	3.8
237.11205	1.6
243.10138	14.3
244.10806	0.8
245.11647	1.1
247.09502	0.8
249.11188	0.8
256.10822	0.9
257.11682	1.3
259.13293	4.2
261.11212	8.2
263.12701	1.1
271.13226	1.1
275.13016	0.7
275.16345	1.4
277.14285	7.6
289.14453	3.2
327.19421	4.8
345.20584	23.8
346.20770	0.7
350.73999	0.6
363.21542	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	363.2165
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	0.8
57.03154	0.2
57.03435	0.9
57.07072	1.0
62.84691	0.2
65.03951	0.4
66.52797	0.2
67.05501	2.0
69.03427	0.9
69.07066	1.4
71.04989	0.2
71.08648	1.2
71.72865	0.2
71.73225	0.3
77.92632	0.3
79.05492	1.6
81.07058	3.5
83.01334	3.9
83.08604	0.3
85.10165	0.5
87.80678	0.2
89.06036	1.0
91.05468	2.1
93.07040	3.8
95.04980	0.5
95.08604	2.5
99.11803	0.2
105.07016	1.5
107.04948	0.2
107.08588	4.2
107.09256	0.4
109.06535	0.5
109.10155	1.9
113.06005	0.3
115.05454	0.3
116.06235	0.3
117.07008	0.9
119.08560	0.9
121.06493	4.4
121.10139	1.9
123.08059	0.6
123.11700	5.5
123.12527	0.5
129.47995	0.3
131.08582	2.8
133.06505	0.4
133.08601	0.4
133.10158	0.5
135.08060	4.6
135.11694	3.9
141.07022	0.3
143.08598	0.3
145.06583	0.3
145.10139	0.3
147.04356	0.3
148.59572	0.2
149.05971	0.6
149.09619	4.3
149.13229	0.5
153.05452	1.2
159.08060	5.6
161.05969	0.3
162.06749	5.4
163.07538	8.1
165.99333	0.2
177.09097	13.5
177.87833	0.3
178.09380	0.4
185.13136	0.3
187.07539	4.6
191.06989	0.5
191.10597	0.4
193.08638	0.6
205.08592	66.7
206.09000	2.1
211.09651	1.1
219.10144	1.0
223.09641	100.0
224.09985	2.9
229.08607	0.4
237.11131	1.3
243.10265	0.9
261.11166	0.8
271.13239	0.5
289.14352	0.8
289.25290	0.6
327.19461	1.1
345.20593	12.1
346.20950	0.5
363.21445	5.6
363.25555	0.3
363.28784	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	363.2162
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03915	2.0
53.15523	0.8
53.38689	1.0
55.01870	6.2
55.05504	30.5
56.96566	1.4
57.03431	9.0
57.07068	0.9
59.04984	1.7
60.59160	0.8
65.09083	0.8
67.05498	21.0
69.03417	3.3
69.07059	9.4
70.06554	1.8
70.39028	3.6
71.04971	2.4
71.98861	1.0
72.08134	1.2
79.05489	19.4
81.03419	2.2
81.07045	18.1
83.04967	5.6
83.08611	11.6
85.02905	1.8
85.06542	1.6
91.05468	19.5
93.07034	13.5
95.04965	3.7
95.08607	6.4
97.02904	1.2
97.06522	2.3
97.10152	18.1
98.20671	1.0
98.97580	1.0
103.05454	1.9
105.07026	8.5
107.04971	2.0
107.08578	10.5
109.06508	3.6
109.10128	5.6
111.08046	2.7
115.05442	2.4
116.06225	1.1
117.07012	19.9
118.06544	5.2
119.08571	100.0
120.08081	1.5
120.08936	1.8
121.06481	2.1
121.10149	4.6
123.08058	2.8
125.09615	16.9
128.06192	3.4
129.06993	8.6
131.04913	1.0
131.08543	7.1
133.06465	7.1
133.10088	7.7
135.08046	12.7
137.09612	1.7
141.07010	2.6
142.07756	2.2
143.07054	1.4
143.08548	5.9
144.05618	1.8
144.08073	2.8
145.06442	3.8
145.10104	17.1
146.06006	8.8
147.08040	23.0
147.11678	2.3
149.09607	2.7
153.09108	1.8
155.08537	2.7
157.08774	0.8
157.10110	28.0
159.08044	43.4
159.11630	6.4
161.09625	6.6
163.07552	4.3
163.11203	1.3
165.09216	1.2
167.08565	2.0
169.10114	13.0
170.10522	1.2
171.10321	1.2
171.11688	3.4
173.09615	20.0
175.07526	2.0
175.11122	1.1
176.14326	23.9
181.10091	1.7
183.11705	2.9
185.13266	2.3
187.11136	2.2
188.07071	6.1
189.11198	14.7
191.10730	1.0
193.10260	1.0
197.13255	2.9
199.11014	1.3
201.12833	1.0
206.10921	1.8
207.11775	2.9
209.13254	2.3
211.14799	2.1
224.05872	1.5
224.12166	1.2
225.16359	5.9
227.12706	1.3
235.14769	6.7
243.17480	4.2
253.15846	12.5
261.18576	1.8
271.16910	29.2
272.17264	1.8
289.17926	9.5
314.74661	0.9
329.11584	1.0
335.11218	1.1
345.20566	3.2
363.14169	1.7
363.21603	55.2
363.26727	2.5
364.22025	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.2163
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	2.2
55.01862	4.4
55.05504	23.0
57.03426	10.1
57.07079	1.0
57.10015	0.8
61.01112	0.9
61.77011	0.9
65.03929	2.2
67.05492	16.8
69.03407	2.3
69.07062	6.7
70.06581	1.7
71.04977	1.9
71.75018	1.5
79.05019	1.5
79.05484	22.5
81.03393	1.2
81.07049	13.6
83.04972	4.4
83.08604	10.5
85.02869	1.7
86.71239	0.9
91.04922	1.4
91.05473	19.5
93.07034	10.6
95.04958	3.1
95.08601	5.9
96.08111	1.0
97.02846	0.9
97.06527	1.5
97.10162	19.2
100.07604	2.0
103.05441	1.0
104.06242	1.7
105.07021	8.1
107.04939	3.3
107.07889	1.6
107.08575	12.7
109.06501	3.7
109.10136	6.4
111.08099	2.1
115.05445	4.7
116.04818	0.8
117.07006	19.5
118.06528	27.2
119.08566	80.9
120.08898	1.6
121.06477	1.6
121.10130	3.6
123.04530	1.0
123.08072	2.4
125.09619	18.9
128.06201	1.4
128.07065	1.9
129.05482	1.2
129.07022	5.1
130.07771	1.1
131.04955	1.3
131.05888	0.9
131.08568	7.4
132.08086	2.9
133.06488	4.2
133.10112	3.5
135.08029	10.7
135.11719	1.2
137.05962	1.3
137.09647	1.4
139.56476	0.9
141.06918	1.8
142.06508	1.5
143.07367	2.0
143.08542	3.5
143.10683	1.4
144.04439	1.0
144.05670	2.5
144.08060	9.7
145.06458	7.2
145.10112	8.7
146.05988	44.6
146.09628	3.2
147.08028	10.1
147.11661	1.3
149.09613	2.4
153.09035	2.2
155.08543	2.0
157.06609	1.2
157.10112	9.4
159.08037	43.2
159.11655	3.7
161.09547	4.7
163.07622	1.3
169.10107	5.6
170.05989	3.4
171.10172	0.9
171.11690	2.0
173.09621	8.9
173.13167	1.5
175.07527	1.4
175.11124	1.4
176.14333	100.0
177.09074	1.6
177.14685	3.2
183.11702	1.5
185.09697	1.7
188.07034	29.6
189.11200	15.6
199.11118	1.1
207.11650	1.1
216.13823	1.4
225.16385	3.3
227.12759	1.3
235.14816	3.4
243.17433	2.7
253.15833	7.6
257.54398	0.9
261.18405	1.1
265.22397	1.0
271.16910	19.7
289.17944	10.1
291.07532	1.0
292.41467	1.2
345.20587	2.9
363.21228	35.5
363.26718	1.7
364.21408	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	363.2162
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.2
55.01871	5.2
55.05509	30.2
57.03436	9.4
60.72558	0.7
65.03918	1.1
67.05497	22.4
69.03422	3.4
69.07068	6.2
70.06579	1.9
71.04973	1.3
72.08149	1.5
79.05489	25.6
81.03399	1.7
81.07052	17.2
81.07534	1.0
82.07413	0.7
83.04970	4.6
83.08611	11.7
84.08150	0.8
85.02902	0.6
85.06545	1.4
87.04448	1.3
91.05472	20.4
92.04591	0.6
93.07040	11.4
95.04958	3.8
95.08596	5.6
97.06498	1.3
97.10162	25.0
98.10491	0.7
98.20636	1.1
103.05437	1.5
104.06254	1.2
105.07023	8.6
107.04944	1.3
107.08585	14.5
107.09315	0.8
109.06494	2.8
109.10154	8.1
111.04353	0.7
111.08083	2.5
115.05477	3.1
117.07006	19.8
119.04934	1.2
119.08571	100.0
120.08905	1.9
121.06486	2.1
121.10139	3.3
123.08059	2.6
125.09624	24.2
128.06203	2.2
129.06976	5.3
131.04871	1.2
131.08554	8.6
133.06467	4.4
133.10121	4.1
135.08054	11.1
137.09598	2.7
141.06961	1.4
142.07791	1.3
143.08575	5.4
143.10619	1.5
144.05708	2.3
145.06488	9.0
145.10127	13.5
147.08049	7.5
147.11674	2.2
149.09608	2.1
153.09061	2.6
155.08536	3.2
157.06551	0.7
157.08928	1.1
157.10126	6.2
159.08046	29.3
159.11699	4.5
160.08456	1.2
161.09572	3.7
161.13283	0.8
163.07526	0.8
163.13129	1.0
165.07079	0.7
167.07181	0.9
167.08528	1.0
169.10126	5.6
171.08105	0.8
171.10139	3.2
171.11557	1.6
173.09608	9.1
173.11856	1.0
173.13245	1.5
175.07513	0.8
175.11153	1.6
176.10648	1.2
177.09193	1.0
181.10086	0.7
183.11722	2.3
185.09561	0.9
185.13240	1.2
187.11220	2.9
187.14740	1.0
189.11209	26.2
192.20401	0.7
194.11797	1.4
197.13287	2.1
199.11304	0.9
199.14973	0.6
201.12701	1.0
215.07382	0.8
215.14284	1.5
225.12839	1.0
225.16399	4.8
227.12816	2.7
235.14905	1.1
243.17381	3.2
248.16504	1.6
249.16856	2.3
253.15898	4.3
261.18555	1.3
265.19916	1.3
271.16901	22.9
272.17380	1.0
289.17944	7.4
316.23682	0.8
345.20633	3.4
346.20334	1.0
363.21680	23.3
363.26999	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	363.2161
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66109	0.8
53.03937	1.2
53.14488	0.6
53.71077	0.7
55.01865	5.5
55.05504	29.8
57.03428	9.5
57.07049	0.9
58.07526	0.6
59.04988	1.7
60.01539	0.8
65.03928	1.2
67.05499	20.6
69.03406	2.5
69.07059	8.2
70.06554	0.8
71.04987	1.5
71.73167	1.3
71.73528	0.7
72.08125	1.0
79.05484	22.4
81.06599	1.3
81.07045	16.0
83.04947	3.5
83.08598	11.1
84.08061	0.8
85.24656	0.8
91.05476	14.4
92.05809	0.7
93.07024	11.5
95.04964	2.1
95.08591	6.2
95.67974	0.6
97.06503	1.5
97.10156	23.2
98.10451	0.8
103.05456	2.1
104.06241	1.0
105.07024	5.9
105.12582	0.7
107.04935	1.8
107.08572	13.8
107.09258	1.2
109.06511	2.5
109.10151	6.6
109.27770	0.6
111.04411	0.9
111.08092	1.8
115.05444	1.9
117.06999	11.4
119.08566	100.0
120.08895	2.5
121.06474	1.6
121.10130	3.3
123.08082	1.6
125.09610	19.0
128.06233	2.0
128.13673	0.6
129.05475	0.9
129.06987	5.0
131.08545	7.0
133.06465	4.1
133.10095	3.1
135.08037	14.2
137.09584	2.6
137.13220	0.8
141.06943	1.4
143.06979	1.0
143.08528	2.4
143.10712	1.5
144.05707	1.8
145.06491	2.3
145.10103	8.2
147.08011	8.1
147.11713	0.9
149.09616	2.0
153.09097	1.4
155.08559	2.7
157.10110	7.6
159.08040	44.9
159.11655	3.7
160.08417	0.8
161.09578	4.3
163.07541	1.1
163.11226	0.9
168.86453	0.9
169.10133	5.1
169.20525	0.7
171.08011	0.7
171.10173	1.8
171.11647	1.6
172.08766	0.7
173.09601	8.1
173.13234	1.3
175.07573	1.4
183.11665	1.2
185.09593	1.6
185.13240	0.9
187.11218	2.8
189.11169	17.7
197.09601	0.9
197.13223	2.0
201.12791	0.7
209.13390	0.9
211.11221	1.1
215.14275	2.1
215.17854	0.8
225.12892	1.0
225.16318	2.7
227.12779	2.0
235.14848	2.5
243.17458	1.7
253.15823	5.6
261.18555	1.2
271.16901	16.3
288.19000	0.7
289.17947	14.2
345.20306	3.9
349.16800	0.9
363.21603	33.8
363.26004	1.1
363.30191	1.2
364.17535	0.9
364.21841	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.2162
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	0.3
55.05487	0.3
57.03421	0.3
67.05486	0.5
68.99046	0.1
69.03416	0.7
69.07043	0.5
71.04976	0.2
71.76173	0.3
75.55383	0.2
79.05482	0.9
81.07052	1.9
83.01333	4.0
83.81440	0.1
91.05471	1.8
93.07040	3.4
94.23676	0.2
95.04945	0.3
95.08610	0.8
105.07022	0.9
107.07913	0.2
107.08582	3.5
109.06496	0.4
109.10136	0.9
113.06011	0.2
115.05460	0.2
116.06227	0.3
117.06998	0.5
119.04882	0.2
119.08547	0.7
121.06497	4.5
121.10140	0.9
121.10869	0.1
123.08034	0.5
123.11695	7.5
127.81614	0.2
129.06978	0.2
131.08566	2.5
133.06456	0.3
133.10124	0.2
135.08043	5.0
135.11674	4.5
137.05946	0.2
141.07060	0.2
145.06464	0.5
146.07227	0.2
147.04359	0.3
149.05930	0.8
149.08467	0.3
149.09604	4.4
151.07506	0.2
153.05449	3.4
153.12697	0.3
159.08049	5.3
160.87851	0.1
161.05954	0.4
161.09628	0.3
162.06750	4.7
163.07527	8.8
164.07932	0.2
165.09085	0.2
173.09546	0.2
174.11613	0.1
177.09094	15.2
178.09435	0.4
181.08546	0.2
187.07518	4.4
189.09038	0.2
190.06186	0.4
191.10686	0.2
193.08588	0.5
195.09917	0.2
203.10587	0.2
205.08586	64.0
206.08940	1.6
211.09608	1.5
219.10153	0.3
223.09630	100.0
224.09967	2.4
229.08498	0.2
243.10182	0.5
261.11246	0.3
275.16324	0.3
289.14352	0.2
293.17419	0.4
327.19550	1.1
345.20572	15.8
346.21054	0.8
363.21634	9.8
364.21930	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.2161
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.4
55.01864	7.0
55.05508	31.4
56.42650	1.0
56.96552	1.2
57.03193	1.0
57.03429	11.0
65.03930	1.5
67.05495	26.2
69.03418	4.9
69.07060	9.0
69.95154	5.0
70.06560	1.5
71.05001	1.5
72.08121	1.3
79.05484	27.6
81.03410	1.6
81.07046	19.2
83.04961	3.7
83.08607	12.5
85.06535	0.8
85.99093	0.8
91.05470	22.3
91.53622	0.9
92.05800	1.1
93.07030	11.4
95.04932	3.9
95.08591	7.8
97.06535	1.1
97.10159	25.5
98.21395	1.0
103.05450	2.7
105.07014	12.5
107.04934	3.2
107.08580	16.8
109.06499	3.7
109.10160	6.7
111.08084	2.4
115.05441	3.8
117.07007	17.1
119.08566	100.0
120.08880	3.4
121.02881	1.1
121.06466	2.0
121.10116	3.3
123.08050	2.0
125.09619	24.9
128.06200	2.1
129.05397	1.2
129.06975	5.5
131.08546	10.5
133.06470	4.8
133.10121	5.4
135.04385	1.2
135.08043	16.7
137.09595	4.1
141.07014	2.1
142.07767	1.5
142.46408	0.8
143.08539	4.3
144.05716	1.7
145.06454	3.2
145.10114	11.8
147.04494	1.1
147.08034	7.1
147.11649	2.0
149.09608	1.5
151.07565	1.3
153.09067	3.2
155.08530	3.1
157.10136	5.1
159.08043	34.0
159.11644	6.0
161.09569	3.5
163.07489	2.0
169.10112	6.6
171.08026	1.2
171.10179	1.7
171.11612	1.6
173.09633	6.9
173.13176	1.7
175.07376	1.2
175.11140	2.1
176.10696	4.5
177.05522	1.5
183.11717	2.8
185.09651	1.8
187.11198	2.6
189.11205	22.4
194.11713	5.9
197.13275	2.2
199.11209	1.1
215.14290	1.8
225.12646	1.0
225.16333	4.3
227.12659	1.6
230.11642	1.0
235.06012	2.1
235.14754	1.2
243.17468	2.1
245.11804	1.4
253.15929	3.1
271.16928	11.9
272.17377	1.1
289.17950	13.4
345.13242	4.3
345.20435	1.8
346.20190	2.1
363.14294	2.8
363.21655	33.0
363.26315	3.3
363.30527	1.6
364.21765	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	363.2161
Annotation	Unknow
Peak:m/z	Relative Intensity
53.87348	0.6
55.05494	0.8
57.07053	1.0
57.51277	0.6
67.05484	0.6
69.07059	1.0
69.60302	5.7
71.44509	0.6
79.05476	1.5
81.07050	6.3
83.01318	4.3
87.29539	0.7
91.05457	2.5
93.07063	3.0
94.69509	0.6
95.08588	1.3
98.57405	0.6
105.07007	1.1
107.08571	5.0
109.10157	1.0
115.05443	0.7
119.08559	1.1
121.06490	4.6
121.10124	1.0
123.11698	30.9
124.83743	0.6
131.08548	3.0
133.89862	0.7
135.08022	3.9
135.11697	6.2
149.05986	0.6
149.09589	4.1
153.05481	1.5
156.45049	0.7
159.08029	4.3
162.06755	4.2
163.07529	7.7
177.09100	11.5
187.07516	3.6
190.06107	0.8
191.06941	0.8
193.08507	0.8
205.08586	53.3
206.09149	1.3
211.09631	2.2
223.09631	100.0
224.09918	3.5
243.10260	0.9
261.11267	0.8
327.19568	1.1
327.58716	0.7
345.20560	21.4
363.21548	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	363.2061
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.5
55.05512	1.8
56.96541	0.3
57.03425	0.5
58.78845	0.3
65.03947	0.3
67.05499	1.6
69.07053	1.3
69.32455	0.3
69.65759	2.6
70.06567	0.5
77.98455	0.3
79.05482	1.6
81.03397	0.4
81.07052	1.6
83.05003	0.7
83.08599	0.5
84.08117	0.5
85.02888	0.3
86.08943	0.3
91.05476	2.8
93.07008	1.5
95.04928	0.6
95.08592	0.9
97.10175	0.4
103.05412	0.4
105.07048	1.9
107.08563	1.4
108.81316	0.3
109.06490	0.6
109.10162	0.7
115.05443	1.6
116.98444	0.3
117.05724	0.5
117.07011	3.8
118.06522	31.2
119.06814	0.5
119.08553	3.2
121.06522	0.7
121.10171	0.4
125.09593	0.7
125.80456	0.3
128.06218	0.4
129.06984	0.3
130.06448	0.4
131.08554	1.3
132.08055	3.1
133.06468	0.5
133.08844	1.1
133.10077	0.8
134.09663	0.7
135.08047	0.7
137.09587	0.5
142.06491	1.7
143.07318	2.3
143.08409	0.5
144.04396	0.5
144.08063	10.7
145.06450	0.9
145.08392	0.4
145.10103	0.7
146.05984	43.8
146.09584	2.5
147.06337	1.2
147.08011	0.9
157.10141	0.8
159.08044	2.2
159.11661	0.7
160.07567	0.6
160.11232	0.4
161.09558	0.5
169.10150	0.6
170.05962	3.9
171.11716	0.5
173.09628	1.5
176.14317	100.0
177.14670	3.4
183.11740	0.5
187.11110	0.4
188.07043	30.4
189.07382	1.1
189.11108	0.4
216.13840	0.9
223.06512	0.3
234.14935	1.8
235.06932	0.3
242.15680	0.3
249.16806	0.4
261.18442	0.4
271.16876	0.9
289.17871	1.3
363.20663	21.1
363.26654	0.7
364.20923	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	363.1646
Annotation	5-Deoxylamiol
Peak:m/z	Relative Intensity
50.11914	2.0
50.79013	2.4
55.01852	5.8
55.05500	8.0
55.80386	2.0
56.05013	2.7
57.03436	3.3
59.02468	2.1
60.04264	3.2
60.04522	38.5
65.03947	2.3
67.05494	38.7
69.03418	7.0
69.07059	5.4
69.46477	5.7
69.46878	20.3
70.06576	17.4
71.04975	5.8
72.08144	7.2
78.36702	2.4
78.37154	2.6
79.05495	11.3
81.03416	24.2
81.07043	45.7
83.04987	3.6
84.04485	2.7
84.08124	10.9
85.02884	2.5
86.09686	10.0
91.05464	31.0
93.07023	8.5
95.04961	6.2
95.08596	22.5
97.06506	3.7
99.04449	6.3
99.08076	4.1
105.07022	12.4
107.08578	4.2
109.02866	20.5
109.06496	5.3
109.10141	100.0
110.07117	4.6
111.04437	6.8
116.07119	4.5
119.08559	11.5
120.08104	7.1
121.10118	10.9
123.11703	15.9
125.05984	17.0
127.03862	3.5
129.10184	2.8
133.10092	3.2
134.95790	3.4
135.08040	3.9
136.07550	3.2
137.09601	94.2
137.10652	4.9
147.11687	21.0
155.10660	37.6
165.09120	42.6
165.12689	16.7
175.80760	2.8
176.96919	7.2
183.10132	22.3
183.13681	3.0
187.07739	2.9
195.52701	2.2
201.11198	49.0
219.12193	2.3
237.02759	2.5
262.97073	3.8
299.18347	5.7
309.22461	3.3
327.14398	11.7
327.23572	5.6
345.15256	4.6
345.19052	4.3
345.24524	14.9
363.08557	4.5
363.19894	36.8
363.25485	8.8
364.26865	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	362.2895
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48500	1.3
53.03931	3.3
55.01857	7.1
55.05502	15.9
57.03424	3.3
57.07064	7.7
58.06585	2.1
65.03931	7.8
67.05495	31.8
68.35012	1.4
68.99786	1.6
69.03417	3.1
69.07071	7.2
69.56859	1.3
70.06585	17.8
71.04619	1.8
71.04984	30.1
71.08614	4.2
71.08974	1.4
71.74748	2.6
72.08142	5.8
79.05484	27.0
81.03393	4.4
81.07047	33.6
83.08610	8.2
84.08117	2.7
85.02892	2.2
85.06543	2.4
85.74260	1.3
88.07624	17.2
91.04927	1.5
91.05470	23.5
93.03386	4.8
93.07040	14.2
95.04953	12.4
95.08589	11.5
97.02895	2.7
97.10143	4.8
102.09152	8.5
103.05475	4.3
105.03404	3.3
105.07018	20.8
107.04946	10.1
107.08582	5.6
109.06519	7.3
109.10142	10.7
109.95795	1.4
114.09142	3.6
115.05424	5.2
117.06999	9.5
119.04964	7.5
119.08591	9.8
121.02876	12.0
121.06479	8.8
121.10145	3.0
123.04420	7.0
123.08047	7.2
123.11710	2.4
125.05987	1.8
125.09618	4.1
128.06216	2.4
129.06987	15.2
131.04895	4.5
131.08566	10.1
132.10188	13.2
133.02879	2.9
133.06488	11.6
133.10139	5.3
135.04401	12.4
135.08037	4.4
137.05974	3.3
139.03960	2.0
141.06946	3.7
142.07747	2.3
143.08528	7.2
144.05644	1.9
145.06474	7.6
145.10114	5.4
147.04408	13.5
147.08073	5.8
147.11598	3.0
149.02335	2.1
149.05975	4.0
149.09535	2.0
151.03885	3.5
155.08521	3.8
155.14325	14.3
157.06487	3.9
157.10101	10.5
159.04424	4.2
159.08028	4.6
159.11748	2.4
161.02306	4.4
161.05963	24.8
161.09639	2.4
162.06299	12.8
163.03880	29.0
163.07489	1.7
165.05518	2.3
165.06999	1.5
166.07727	1.8
167.03464	1.3
167.08516	3.4
169.06395	2.4
169.10146	3.1
171.04446	2.1
171.08055	4.0
171.11687	7.6
173.05936	4.5
173.09578	4.5
173.11707	20.1
173.13127	2.6
175.03882	13.0
175.07594	2.9
175.11137	5.7
176.12820	2.4
177.05450	7.0
178.07741	2.2
179.03340	11.1
181.10114	5.7
183.08037	3.1
183.11652	2.8
184.08847	2.9
185.06006	2.1
185.09573	4.9
187.03880	4.8
187.07550	2.6
187.11185	2.1
189.05449	13.4
189.11211	6.4
189.12758	2.0
191.03358	2.2
191.07007	1.7
193.04942	1.6
194.13881	1.7
197.09604	2.4
199.07587	2.0
199.11162	10.8
201.05484	3.2
201.09212	3.3
203.06935	2.2
203.10637	3.1
205.04912	2.3
207.11658	1.5
209.09666	2.4
211.11220	2.9
213.09061	2.4
215.03397	3.1
215.07121	2.0
215.10652	2.6
217.04990	5.3
217.12184	7.1
223.05988	3.0
225.09134	2.8
225.12756	1.5
227.10666	9.9
228.17503	1.8
229.08566	1.5
229.12114	2.6
235.05988	41.5
235.11060	1.7
237.09096	1.7
239.10683	3.5
243.06357	2.0
243.10118	3.3
245.11664	14.6
247.06169	2.3
253.12311	2.5
255.10118	2.3
256.26334	24.8
257.11761	3.3
257.26920	1.6
261.07446	10.0
261.11261	2.1
263.12772	4.6
267.10144	3.5
271.09763	1.6
271.13409	4.6
273.11176	7.5
275.13043	1.9
277.21570	4.0
281.11728	4.2
285.11270	4.6
289.10574	1.8
289.17844	2.3
291.12488	6.6
299.12817	11.1
302.71216	1.5
303.12262	5.7
309.11154	4.2
317.13834	22.8
327.12244	15.4
335.15222	1.7
344.31680	2.4
345.13306	81.4
362.21246	3.0
362.28018	1.9
362.32623	88.4
363.14362	100.0
363.21591	3.7
363.33099	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	362.2532
Annotation	Broussonetine F
Peak:m/z	Relative Intensity
54.55242	0.7
55.01865	0.7
55.05501	2.7
55.14968	0.7
56.05030	2.5
56.66805	0.6
57.03426	2.7
60.04519	100.0
67.05500	5.9
68.90266	0.7
69.03413	1.7
69.07066	1.3
70.04208	3.3
70.06581	2.1
71.04984	1.3
72.04517	2.0
72.08155	1.3
74.06071	1.8
79.05488	6.7
80.04997	1.6
81.03426	1.4
81.07042	4.6
82.06570	1.8
83.04948	0.8
83.08620	1.4
84.04481	1.0
84.08118	1.1
85.06548	1.0
86.09691	1.2
91.05470	8.3
93.07050	7.4
94.06564	1.1
95.04968	1.9
95.08607	3.9
97.06528	1.6
99.99403	0.6
102.05575	0.7
103.05459	0.8
105.07021	4.0
106.79556	0.7
107.04953	0.8
107.08602	3.1
109.06524	1.2
109.10164	2.1
111.08100	1.4
115.05430	0.8
116.07113	1.3
117.07027	2.1
119.08598	2.8
120.08131	1.8
121.06652	0.7
121.10143	2.1
128.06223	0.9
129.06992	1.8
131.08566	2.4
133.10164	2.5
135.08080	1.4
135.11668	0.7
137.09602	3.2
143.08554	1.4
145.10136	2.4
147.11661	1.5
155.10699	0.8
157.10220	0.9
159.11743	2.2
171.11679	0.9
173.13316	1.7
183.11765	0.7
196.27658	0.8
235.16954	0.7
278.21271	0.8
290.21274	2.4
308.22168	4.6
316.04425	0.8
326.23224	12.4
344.24283	64.2
345.24753	2.3
362.25290	7.9
386.63431	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.2322
Annotation	Tricalysiamide C
Peak:m/z	Relative Intensity
55.05510	8.4
59.63572	1.4
60.85854	1.7
65.03928	1.7
67.05500	13.2
68.16560	1.4
69.07065	10.5
70.06569	1.8
71.72788	2.1
72.08149	2.4
72.69083	1.6
79.05486	13.3
80.04977	4.1
81.07050	17.6
89.06006	3.5
91.05477	15.6
93.07037	11.4
94.06557	9.7
95.04948	5.5
95.08617	9.7
95.45884	1.5
97.83494	1.8
105.07024	15.9
106.06530	5.8
107.07302	3.2
107.08570	6.2
108.08134	7.8
109.06430	1.8
115.05437	1.6
117.07006	5.4
117.13357	1.4
118.06534	5.1
119.08586	6.6
120.08110	8.7
121.10085	3.0
122.06015	2.1
122.09669	2.7
129.06978	2.7
130.06522	2.6
131.07336	3.5
131.08537	7.9
132.08083	14.9
133.08842	3.2
133.10088	3.8
134.09659	6.0
144.08055	6.4
145.08929	3.0
145.10147	4.6
146.09621	10.5
147.10416	6.5
147.11621	3.5
148.11182	4.7
157.10181	3.7
158.09561	8.0
159.10397	3.1
159.11649	2.4
160.11151	7.4
164.07008	2.5
172.11211	13.6
173.11974	3.8
174.12759	12.6
176.14308	2.5
186.12817	8.4
188.14297	4.6
200.14424	1.5
204.10303	2.0
214.87814	1.7
218.15350	2.6
220.13338	4.1
236.16440	6.2
248.16484	4.2
260.16510	1.8
262.18066	1.8
270.22247	2.5
274.18042	2.9
274.21729	4.5
275.19989	3.4
288.19733	2.0
290.21109	2.5
298.21576	8.3
300.23041	2.4
316.22699	87.5
318.24371	2.0
334.23880	3.8
344.22192	30.0
362.23239	100.0
363.23483	5.4
385.63983	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.2322
Annotation	Tricalysiamide C
Peak:m/z	Relative Intensity
53.03923	0.5
55.01856	0.6
55.05505	2.1
57.03431	0.8
67.05500	2.3
69.03403	0.9
69.07066	1.8
69.45975	4.2
70.06586	1.9
72.08143	0.9
77.07657	0.4
79.05472	2.6
81.03399	0.9
81.07058	2.8
83.04965	0.7
83.08592	1.2
87.04456	0.7
91.05460	3.2
93.07045	2.0
94.39445	0.5
95.04948	1.0
95.08595	1.8
97.06521	0.7
97.10159	1.3
98.79551	0.6
105.07034	2.4
106.06570	0.9
107.08574	1.7
108.64801	0.4
109.02899	0.5
109.06503	0.7
109.10154	1.2
117.05742	0.5
117.07029	1.5
118.06542	3.0
119.08572	4.4
120.08078	1.7
121.06522	0.7
121.10177	1.1
125.09647	0.8
129.06973	1.1
130.06532	0.7
131.07320	2.0
131.08569	1.8
132.08061	1.6
133.10114	1.9
134.09668	1.1
135.08086	1.3
136.06149	0.6
137.09547	0.6
144.08076	0.8
145.06482	0.7
145.08925	0.5
145.10107	1.6
146.09624	2.6
147.08000	1.3
148.11203	0.6
151.07559	0.6
156.34998	0.5
157.10074	0.9
158.09625	0.6
159.08049	1.0
159.10381	0.6
159.11647	0.5
160.11168	2.5
161.06194	0.5
161.09642	0.9
163.07565	0.9
165.07887	0.9
165.09192	0.6
167.07002	0.6
169.10083	0.5
172.11218	2.0
173.09634	1.9
174.12776	1.4
179.09413	1.1
183.11783	0.4
184.13400	0.6
188.14336	1.1
189.11168	0.7
190.08604	14.7
191.09183	1.1
202.08604	1.0
202.15924	0.8
204.10185	8.8
205.10854	1.5
216.10283	0.5
218.11743	23.1
219.12080	0.7
232.13312	3.0
234.11150	0.7
234.14893	0.8
244.20570	2.2
246.14851	1.8
248.16457	0.9
252.86697	0.5
253.16011	0.5
260.16483	0.7
264.19476	0.6
271.16864	2.0
272.20078	5.4
272.23413	1.0
274.17917	0.6
288.19568	0.6
289.18048	1.9
298.22278	0.5
300.23163	0.9
316.22684	13.8
317.22995	1.0
344.22171	100.0
345.22577	5.8
362.23199	93.8
363.23154	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	362.0854
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36246	0.2
52.90284	0.2
56.96558	0.3
57.03422	0.6
69.03426	2.4
69.41257	0.9
69.41696	1.6
70.06575	0.7
74.06039	0.2
84.04490	0.4
84.08126	0.5
85.02898	4.8
86.09702	0.3
94.04065	0.2
97.02881	4.6
98.97566	1.0
100.04732	0.2
108.08092	0.3
110.07251	0.3
113.00008	12.5
115.03923	0.8
116.98605	0.7
119.03539	0.9
136.06172	100.0
137.04584	1.0
137.06532	0.9
146.99617	0.2
147.04347	0.3
151.01511	1.3
158.99608	0.6
164.06985	0.4
177.00722	0.7
179.01039	2.2
187.14372	0.4
199.01808	0.3
200.04442	0.4
219.01743	0.3
227.03148	2.5
261.39673	0.2
309.77658	0.2
317.24524	0.2
362.08548	5.8
362.12762	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.1595
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10151	1.7
61.36650	1.6
67.05476	2.4
67.32392	1.6
69.03429	1.7
70.06580	4.1
71.74831	2.5
72.08134	1.8
79.05491	13.4
81.03400	6.4
81.07077	1.6
86.09681	1.5
91.05493	3.1
93.07033	4.4
95.04958	5.3
97.96772	1.4
105.07027	3.7
107.08598	6.1
117.07009	2.5
121.02798	1.8
121.06490	5.3
124.38108	1.4
129.06982	1.9
133.10144	4.6
137.05971	3.5
138.73581	1.8
143.08540	2.8
145.06491	1.7
145.10143	2.0
149.05986	2.7
157.10130	3.0
159.08118	2.0
161.05992	10.9
161.09612	17.7
167.08583	3.2
169.10097	2.5
185.09531	3.8
207.11591	2.1
209.59561	1.7
211.11086	2.1
225.12788	4.3
235.11118	5.2
237.09193	1.8
237.12830	2.6
249.11244	3.6
253.12166	4.4
271.13333	12.3
281.11707	5.1
299.12747	16.9
317.13837	100.0
318.14130	3.5
348.89691	1.7
362.15991	26.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.0846
Annotation	Taveuniamide K
Peak:m/z	Relative Intensity
57.03431	2.0
60.70816	1.9
61.02917	2.1
69.03412	6.8
70.37527	6.3
70.37946	4.3
73.02924	2.9
81.03406	2.8
85.02913	14.4
91.20432	1.8
97.02873	5.6
98.21400	2.3
98.97547	11.5
110.97558	4.4
116.98584	3.4
119.01797	6.3
127.03899	6.7
128.98613	2.7
139.63391	2.2
146.02377	2.3
152.02292	3.8
155.02872	2.7
158.99675	6.9
170.99628	4.3
177.00676	4.9
182.03331	3.3
191.03909	13.0
200.03111	100.0
201.00629	2.5
209.04976	6.0
219.01732	7.1
237.02643	2.8
243.01964	2.6
254.58409	2.1
261.02747	5.1
272.06522	2.4
279.03763	3.7
281.06952	5.4
287.96796	2.0
291.03986	2.2
330.52478	2.1
362.08423	91.9
363.07626	2.9
381.07098	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	362.0846
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96553	6.2
57.03414	3.0
57.78467	1.5
61.02922	8.8
68.86976	1.6
69.03403	4.7
70.06583	2.2
71.73714	2.7
72.08121	2.2
84.08102	4.3
84.96000	2.1
85.02880	6.0
86.09663	2.1
87.50894	2.1
95.03787	1.7
96.41858	1.7
97.02910	3.0
98.97576	9.6
116.98619	4.9
119.01888	4.5
127.03929	2.4
128.98608	2.1
131.01860	4.8
133.03448	1.9
143.00050	2.0
146.99614	2.4
150.05473	2.0
153.04001	1.9
157.03499	2.5
158.99576	2.4
161.02933	2.0
164.06992	2.1
173.02861	4.7
174.99136	2.4
182.08093	2.2
188.02281	2.5
190.98654	2.2
200.03181	100.0
206.03314	2.9
207.43071	1.8
219.01718	2.4
221.05125	2.2
237.02733	7.2
256.09860	2.0
265.05899	3.4
291.09235	1.8
295.97504	1.9
362.03879	4.2
362.08371	71.8
362.15744	3.3
363.08578	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	361.2344
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78263	0.6
55.05494	1.2
67.05505	0.7
69.07040	1.3
71.03632	1.7
71.91795	0.6
72.08152	1.4
81.07059	0.7
91.05457	0.8
95.08592	0.9
97.10148	0.7
117.07035	0.8
118.96911	0.6
121.10092	0.9
149.01237	1.6
149.02336	0.7
158.93245	0.6
171.11632	0.6
263.15970	0.8
279.15475	0.8
279.65424	0.9
290.21191	1.1
348.26779	0.6
360.68158	1.2
361.23447	100.0
362.23618	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	361.2369
Annotation	Beilschmiedic acid B
Peak:m/z	Relative Intensity
55.01883	0.4
55.05510	0.4
56.15381	0.4
56.62245	0.3
56.95921	0.5
57.03430	2.5
57.07065	0.8
67.05499	0.8
68.01213	0.4
69.03421	0.7
69.07054	1.3
71.19608	0.3
79.05469	1.3
81.07042	2.6
83.01337	4.1
85.02896	0.3
85.06533	0.4
91.05462	1.5
93.07048	1.0
95.08587	1.7
105.07027	1.3
107.08591	1.3
109.06508	1.3
111.11715	0.6
117.06976	0.9
119.08546	0.9
121.06476	1.7
121.10108	1.1
129.01857	0.5
131.08525	1.2
133.06497	0.7
135.08035	4.1
135.11639	0.9
137.05962	0.4
139.03879	1.4
145.06468	0.5
145.10103	3.3
147.08148	0.5
149.05951	2.0
149.09607	2.4
153.05443	2.7
155.08534	1.2
158.07251	0.9
159.08035	0.7
161.05902	1.2
162.06760	1.4
163.07504	3.1
163.11147	2.4
165.05411	0.9
173.09619	3.8
176.08292	2.2
177.05470	6.2
177.09099	13.8
178.72490	0.4
181.04915	0.6
181.08609	0.6
183.22595	0.4
189.21584	0.4
190.06180	0.8
191.07066	0.6
191.10649	5.8
201.09097	4.7
203.06992	1.0
204.07811	3.4
217.08537	0.5
219.10146	66.1
220.10475	1.8
221.08160	0.5
237.11192	100.0
238.11513	2.6
251.12758	1.3
305.20996	0.4
312.27176	0.5
343.18600	0.4
361.23611	1.7
361.28006	0.6
377.01764	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.2006
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	0.4
55.01868	5.0
55.05507	3.0
57.03170	0.2
57.03432	3.8
57.07055	0.3
59.04964	0.3
59.46394	0.2
60.58437	0.2
67.05483	0.9
67.20832	0.2
69.03400	0.3
69.07053	0.8
70.06549	0.3
71.19044	0.2
71.19370	0.4
72.08154	1.4
77.03903	0.3
77.71252	0.2
79.05482	4.0
81.07040	1.5
82.44254	0.2
83.08609	2.1
84.08133	0.3
85.15263	0.2
90.57285	0.2
91.04929	0.3
91.05473	5.4
93.07034	2.5
95.04942	0.8
95.08580	0.5
97.10145	0.4
103.05450	2.3
105.03374	0.3
105.07021	16.3
107.08584	0.8
109.10136	0.3
111.08092	1.1
115.05447	4.6
117.07005	2.2
119.04932	1.2
119.08567	3.3
125.09636	0.3
128.06230	0.2
129.07024	1.5
131.08575	1.9
132.05676	0.6
133.06480	13.2
133.10129	0.4
135.08090	1.1
141.06950	0.2
143.04910	2.8
143.08546	0.9
145.06509	0.3
145.10117	2.7
147.08037	1.5
147.11693	0.3
153.09154	0.2
155.08548	0.4
157.10117	1.3
159.08003	0.3
159.11642	0.4
161.05963	100.0
161.09525	2.7
162.06311	2.2
163.07556	0.4
167.08557	0.2
169.10110	0.2
171.08054	0.8
171.11674	0.4
173.09608	0.7
173.13280	0.3
175.11125	0.2
177.09116	1.1
181.10110	0.4
185.09590	0.5
187.07465	0.5
187.11046	0.3
188.14436	0.3
189.09108	0.9
195.11668	0.8
198.02467	0.2
199.14845	0.4
201.12787	0.5
203.10643	0.5
213.16380	0.9
223.14778	2.0
225.12735	0.2
241.15930	1.1
251.14290	2.3
259.16901	4.4
269.15411	2.5
272.20093	0.7
287.16412	3.7
290.20996	1.0
305.17410	3.3
361.20099	11.3
361.24530	0.6
362.21286	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.2004
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	4.2
55.05503	2.9
57.03168	0.2
57.03431	3.5
57.07060	0.2
59.04962	0.2
67.05502	1.0
69.03412	0.2
69.07045	0.7
69.92926	1.3
70.06561	0.3
71.04986	0.2
72.08154	1.5
75.40856	0.2
77.03914	0.4
79.05478	4.0
81.07048	1.8
83.04921	0.2
83.08614	2.2
85.06544	0.2
91.04924	0.3
91.05470	4.8
93.07044	2.5
95.04934	0.6
95.08587	0.7
97.10111	0.3
98.21458	0.2
99.08061	0.2
103.05447	2.3
105.07016	16.9
106.07341	0.3
107.08553	0.6
109.10154	0.3
111.08058	1.1
115.05435	4.9
117.07001	2.0
119.04905	0.8
119.08559	3.1
129.07007	1.3
131.08527	2.0
132.05672	0.3
133.06470	13.3
133.10126	0.3
135.08044	1.3
142.07751	0.2
143.04898	2.9
143.08554	1.2
145.06435	0.3
145.10118	2.8
147.08089	1.4
155.08562	0.2
157.10085	1.4
159.08029	0.3
159.11644	0.2
161.05957	100.0
161.09526	3.0
162.06322	1.4
163.07478	0.4
167.08516	0.4
169.10124	0.2
171.07986	0.7
171.11662	0.8
173.09618	0.9
175.11250	0.3
177.09093	1.0
181.10132	0.4
185.09584	0.8
187.07556	0.4
189.09036	0.9
195.11708	0.5
197.13223	0.4
201.12677	0.5
203.10684	0.3
210.49142	0.2
213.16339	0.7
223.14778	2.0
241.15927	1.0
251.14272	2.6
259.16907	5.3
269.15329	3.0
272.20044	0.8
287.16388	3.8
290.21091	1.0
305.17444	3.9
318.58951	0.3
344.25769	0.2
361.20026	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	360.2741
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	5.6
55.01864	4.5
55.05512	38.2
67.05501	68.5
67.15936	4.3
69.03416	7.6
69.07072	40.2
70.08456	24.1
71.04997	67.4
72.08126	6.7
74.60479	4.3
79.05487	76.4
81.07044	35.5
83.08611	16.6
84.08140	5.1
85.06545	5.9
87.08074	5.7
88.49801	4.6
90.75415	4.3
91.05470	16.7
93.07047	73.1
95.04954	5.8
95.08580	31.1
97.06521	7.3
97.10155	28.6
98.21346	8.5
105.07030	21.5
107.08577	52.4
109.10157	43.1
119.08609	16.9
121.10133	75.0
124.51936	4.6
125.09634	24.2
131.08537	8.8
133.10139	9.5
135.11682	8.2
135.57913	4.6
145.10121	8.0
147.11697	10.3
149.09625	7.1
153.12704	43.4
155.10641	13.5
159.11656	7.9
161.13251	5.8
171.10255	6.5
173.11731	100.0
173.12979	3.9
189.11205	31.8
207.55098	4.7
211.06502	4.7
228.27626	4.7
275.20062	52.4
290.21008	5.8
293.21274	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	360.2741
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65530	13.4
55.05500	37.2
67.05499	64.4
69.07064	45.9
70.06608	14.1
71.04995	57.4
71.24827	19.4
71.25166	13.8
79.05497	52.1
79.42870	10.8
81.07049	43.1
83.08599	33.9
85.06513	13.6
91.05479	33.7
93.07034	69.2
95.08603	27.3
97.10160	29.7
105.07012	26.8
107.08607	52.6
109.10159	47.3
111.08084	15.2
121.10146	56.1
125.09642	21.3
149.09612	14.1
153.12740	54.6
154.38138	11.9
159.85396	12.2
173.11702	100.0
182.53360	11.3
189.11212	29.1
236.86888	13.1
275.20044	47.9
348.37808	12.1
356.19058	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	361.2005
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	0.3
55.01863	5.1
55.05500	3.0
57.03432	3.8
57.07070	0.7
59.04995	0.4
61.01138	0.4
65.03905	0.4
67.05505	1.8
67.30576	0.3
69.07045	1.3
69.99718	1.9
70.06579	1.1
71.04971	0.6
72.08141	2.3
74.09722	0.3
78.03777	0.4
79.05485	4.2
81.03432	0.3
81.07048	2.2
83.04971	0.6
83.08609	2.1
84.08150	0.4
85.02874	0.6
85.06529	0.5
86.06042	1.0
86.09691	0.3
87.04436	0.6
91.05467	6.2
93.07032	3.0
95.04956	1.1
95.08580	1.1
97.06523	0.4
97.10122	0.4
100.11229	1.1
103.05460	2.1
105.07012	17.0
106.06454	0.4
106.07327	0.3
107.04934	0.4
107.08591	1.4
109.06501	0.6
109.10148	0.4
111.08058	1.1
115.05444	4.2
116.44090	0.3
117.07009	2.3
118.06519	0.6
119.04913	0.9
119.08569	3.1
121.06509	0.4
121.10112	0.7
125.09571	0.5
128.06189	0.5
129.07005	1.1
130.05014	0.6
131.08551	2.3
131.27879	0.3
132.05740	0.5
133.06477	12.5
133.10089	1.0
134.09634	0.6
135.08063	1.0
141.06929	0.4
143.04900	2.5
143.08549	1.5
145.06458	0.5
145.10112	2.5
147.08035	1.3
149.07388	1.2
149.09592	0.5
149.13295	0.4
151.07506	0.3
153.09106	0.4
154.42279	0.3
156.13808	0.5
157.10129	1.9
159.08104	0.5
159.11659	1.0
161.05956	100.0
161.09549	3.1
162.06296	2.1
163.07454	0.5
167.06999	0.6
167.08521	0.3
171.08011	0.6
171.11653	0.8
173.09567	0.6
175.11096	0.5
176.14339	1.2
177.09070	1.1
182.15387	0.4
184.13338	0.7
185.09602	1.0
187.07503	0.5
187.11182	0.4
189.09186	0.8
195.11688	0.7
201.12825	0.5
210.14830	0.6
213.16360	0.7
223.14792	1.8
241.15849	0.8
248.16446	0.6
251.14285	2.5
259.16885	4.9
264.19528	0.4
266.17419	0.3
269.15289	2.2
270.26791	0.3
272.20029	1.1
276.23077	0.4
287.16400	3.2
288.16745	0.4
290.21136	1.8
305.17422	3.1
343.20383	1.2
361.20090	10.6
361.24939	1.4
361.28796	0.5
362.20224	0.4
362.26816	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.1496
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05822	4.5
55.01858	11.8
57.03425	9.6
60.47330	5.0
61.02912	7.2
69.03419	41.2
71.71751	7.0
73.02908	7.1
81.03397	5.3
85.02898	100.0
85.70885	4.4
97.02896	45.6
99.04520	6.7
100.99457	5.3
101.02401	4.7
109.02851	7.5
114.06843	4.9
127.03899	87.8
135.03899	4.9
145.04941	65.9
163.06007	18.6
317.46454	4.9
347.77615	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.1494
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01849	8.0
56.05025	3.9
57.03417	11.2
58.80595	3.5
61.02897	4.6
68.68851	3.6
69.03425	36.5
69.99532	10.9
69.99946	14.3
70.06571	17.0
72.08140	15.6
73.02901	7.1
81.03392	6.6
83.06054	4.0
84.08117	16.6
85.02898	100.0
86.09679	15.1
87.31503	3.7
91.95506	4.2
97.02880	37.4
98.21255	11.8
99.04436	8.4
101.02338	7.3
102.04071	4.6
109.02869	10.0
115.03867	6.6
125.70256	4.6
127.03906	64.2
129.10179	4.7
130.08669	4.2
132.94719	4.4
141.05092	5.6
145.04941	60.4
161.07620	6.4
163.06046	23.5
180.08788	5.4
185.16510	7.4
187.05617	6.6
198.01761	5.0
198.03528	10.9
214.09282	6.5
247.62128	4.2
255.08093	8.6
258.08252	5.0
328.60925	4.3
352.73480	4.6
360.09613	12.5
361.11270	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	360.274
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	28.1
57.72845	10.3
67.05517	55.1
69.07064	25.6
71.04987	64.5
71.50689	22.3
79.05481	75.1
81.07043	43.1
83.08609	20.4
84.08146	10.3
91.05477	34.8
93.07046	89.0
95.08589	28.3
97.10186	27.4
105.07008	20.5
107.08588	49.6
109.10151	51.5
119.08501	15.5
119.69054	10.3
120.08102	58.9
121.06589	10.4
121.10169	63.4
125.09631	13.1
133.10127	15.1
153.12711	32.8
173.11742	100.0
189.11099	17.9
275.17310	12.5
275.20123	38.7
360.21625	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	360.1284
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67496	0.4
53.03935	0.7
55.01854	0.8
55.05492	0.8
56.05033	0.5
57.03404	1.0
60.04264	0.4
60.04519	3.8
61.02915	2.0
64.84153	0.4
67.05495	0.4
69.03410	3.4
69.07053	0.5
70.06583	5.7
71.04959	0.5
72.08143	3.8
73.02910	0.3
73.08495	0.4
74.06055	0.5
79.05479	0.8
81.03413	1.8
83.06085	1.0
84.04482	1.5
84.08126	3.1
85.02894	12.5
86.09695	6.7
87.09990	0.5
88.03972	0.5
89.03901	3.3
91.03924	1.1
91.05460	1.3
93.03388	0.7
93.06995	0.3
95.04945	0.4
97.02876	3.7
99.04430	0.9
102.05519	0.6
103.05473	0.4
104.96112	0.4
107.04928	1.6
109.02872	1.6
109.06524	0.4
110.07136	2.9
112.08618	0.5
116.07080	0.7
117.03360	4.6
119.04821	0.4
120.08067	0.9
127.03899	2.8
127.07554	0.4
129.10213	1.5
132.10185	0.4
135.04396	14.6
136.04765	0.4
137.05943	0.9
138.05473	0.4
139.03915	0.8
140.08170	0.4
143.78435	0.3
145.02827	11.2
145.03947	0.7
145.04900	3.0
147.04384	1.1
156.07640	0.7
157.46014	0.3
160.12244	0.3
163.03880	100.0
164.04202	1.5
165.05467	0.6
180.08669	0.6
181.04930	40.8
182.05289	0.5
182.12917	0.5
183.11240	0.4
183.13338	0.4
185.16386	0.7
186.05571	0.4
198.07559	1.1
200.13826	0.3
232.24440	0.4
235.07515	0.5
271.05832	0.4
297.35767	0.4
298.26816	0.3
324.21573	0.7
342.22491	2.4
360.12866	0.5
360.23892	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.3151
Annotation	AKD 2A
Peak:m/z	Relative Intensity
55.05497	14.1
55.18022	1.4
57.03435	9.4
57.07068	100.0
58.07417	1.6
67.05499	28.9
69.07059	19.7
70.05210	9.6
71.08623	75.7
75.04456	4.7
75.05772	1.4
79.05475	3.5
81.07050	39.7
81.24195	1.4
81.49535	1.2
83.01320	1.7
83.08615	24.1
85.10172	41.8
86.10473	1.6
89.06006	1.8
93.07013	3.3
95.08598	65.1
96.09021	1.4
97.10154	26.5
99.11709	3.5
105.03719	3.7
107.08564	2.7
109.10148	29.5
111.11706	10.6
114.83559	1.5
122.06375	3.0
123.11680	17.6
125.13256	2.5
135.11670	4.0
137.13222	9.1
151.14793	3.0
159.46184	1.4
163.07617	1.9
163.45125	1.5
165.16391	2.0
177.09099	2.2
191.10745	1.5
204.07826	1.5
219.10156	18.2
237.11182	22.3
238.11580	2.2
249.25771	2.5
267.26755	12.2
285.27817	7.4
296.29330	7.4
341.30484	71.9
342.30896	7.1
359.21979	4.0
359.36987	7.0
366.86899	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.315
Annotation	AKD 2A
Peak:m/z	Relative Intensity
55.05504	13.9
57.03428	5.5
57.07071	100.0
65.91168	1.6
65.94826	1.7
67.05497	29.7
69.07065	21.1
70.03524	11.4
71.08626	76.1
75.04490	2.8
79.05453	3.1
81.06604	3.8
81.07050	43.2
83.08612	24.9
85.10172	40.7
85.28654	1.8
93.07062	3.2
95.08604	63.7
97.10165	25.9
99.11748	4.5
107.08562	2.3
109.10145	27.9
110.48803	1.8
111.11707	7.5
123.11681	11.8
137.13260	7.5
151.07556	4.0
152.90211	1.8
159.72641	2.4
165.16316	2.0
193.19356	2.5
216.95110	2.4
227.02151	3.2
228.99976	2.7
249.25833	2.7
267.26862	8.3
285.27908	4.0
320.42120	2.1
326.30768	1.9
341.30493	61.3
359.18854	3.8
359.37054	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	359.2789
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	4.8
55.01855	6.4
55.05499	28.4
57.03439	7.4
57.07069	5.6
67.05492	36.8
69.03415	12.1
69.07062	39.3
70.06611	5.3
71.04980	4.8
71.73546	5.2
72.08151	11.2
79.05482	20.9
81.03424	3.8
81.07049	100.0
83.04970	7.7
83.08620	14.8
84.04510	2.7
84.08135	6.3
84.10565	2.7
85.02887	4.6
85.06532	13.5
86.09695	8.4
91.05457	19.7
93.03349	3.6
93.07030	46.7
95.04945	8.3
95.08591	83.5
95.61051	2.7
96.08939	4.8
97.02865	3.6
97.06514	12.7
97.10137	16.7
99.08110	6.1
105.07035	20.4
107.04978	3.3
107.08586	45.7
109.06517	8.7
109.10131	29.1
110.10452	2.9
111.08083	18.8
111.11713	8.3
112.16100	2.6
117.06978	5.4
119.08559	26.2
120.08145	3.7
121.06481	3.7
121.10149	27.5
123.04384	3.1
123.08055	8.4
123.11696	47.8
125.09597	7.0
129.07022	3.6
131.04904	4.4
131.08586	9.2
133.06421	3.6
133.10147	15.5
135.08018	3.3
135.11684	16.7
137.02344	6.7
137.05934	15.9
137.09589	6.3
137.13240	13.6
139.11150	10.4
141.09142	3.1
141.12694	3.1
142.68811	2.9
143.08542	3.8
145.10130	6.6
147.11694	8.2
149.09602	5.1
149.13254	39.3
151.07533	23.1
151.11177	3.4
153.12711	7.3
155.14302	3.2
157.06584	3.7
157.10136	4.9
157.12222	10.7
159.08070	3.3
159.11629	7.0
161.06044	5.3
161.13225	6.5
163.11160	3.4
163.14850	7.2
163.76439	3.2
165.09088	9.1
165.12570	3.4
167.07028	4.5
174.06825	2.6
175.14766	5.8
177.05528	3.3
177.12608	3.4
179.03424	5.2
187.11214	3.4
187.13264	16.6
191.10614	5.9
203.17818	3.0
210.06812	3.1
241.08307	3.4
269.04639	2.9
269.22467	4.0
279.13760	3.6
287.23654	3.6
293.24734	7.1
299.05530	19.4
300.06091	9.9
305.24716	22.2
313.07043	73.7
314.07391	9.4
323.25558	6.5
329.13672	3.5
341.06659	18.8
359.07550	69.1
359.11484	3.7
359.14902	5.2
359.19815	5.8
359.26041	5.7
360.08075	3.2
360.16196	3.7
360.21259	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.2214
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	2.3
57.03423	3.6
57.07064	1.7
67.05482	2.4
69.07056	2.3
70.06573	0.4
70.30849	1.7
72.23389	0.4
72.90448	0.3
79.05482	4.0
81.07040	3.8
83.01328	4.7
83.04960	0.7
83.08557	0.5
85.02860	0.5
85.06505	1.3
91.05466	4.8
92.05803	0.4
93.07032	12.0
95.04949	1.5
95.08591	2.3
105.07021	3.2
106.07898	0.4
107.08577	15.4
108.08907	0.5
109.06506	2.3
109.10141	3.5
110.10478	0.3
117.06983	1.4
118.86391	0.3
119.08568	2.0
121.06493	1.8
121.10103	1.5
123.08064	0.6
123.11697	3.1
125.59542	0.3
127.07560	0.7
129.07004	0.8
130.07765	0.8
131.08546	1.6
133.10123	0.9
135.08038	6.4
135.11676	18.2
136.11922	0.6
137.05946	0.9
139.03885	1.5
145.06483	0.6
145.10081	4.7
147.07994	0.5
147.11665	0.6
149.06009	2.2
149.09598	4.0
153.05476	3.0
153.06613	0.5
155.08519	1.1
158.07266	1.1
159.08034	0.6
161.05954	1.5
162.06760	2.1
162.65019	0.4
163.07518	5.2
163.11150	3.6
165.05493	1.8
173.09587	3.8
173.13252	0.5
175.07497	0.5
176.08287	2.4
177.05464	1.4
177.09085	13.8
178.09564	0.4
181.08623	0.4
190.06268	1.3
191.06938	0.9
191.10649	9.1
192.10986	0.5
201.09076	5.1
204.07802	1.8
205.08571	0.7
207.10162	1.4
219.10138	78.8
220.10440	2.6
225.11176	5.3
233.11749	0.7
237.11182	100.0
238.11523	3.6
243.10057	0.6
251.12801	1.1
257.11694	1.3
275.12753	1.1
275.16385	1.0
275.20004	2.1
286.83856	0.4
290.34912	0.3
303.15866	1.1
313.17380	0.5
321.24100	0.5
341.21066	3.1
351.57547	0.4
359.22116	16.9
359.37018	1.3
360.22400	1.5
380.80646	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.2214
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	0.6
55.05482	1.7
56.22620	0.4
57.03424	1.8
57.07072	4.0
65.03912	0.5
67.05500	2.6
67.90098	0.4
68.85232	0.3
69.03415	0.8
69.07045	1.6
69.34052	0.4
70.75619	1.0
70.75979	0.7
79.05486	2.8
81.07046	5.9
83.01329	4.2
83.04936	0.7
83.08623	0.5
85.02853	0.4
85.06545	1.9
89.00206	0.4
91.05466	4.5
93.07036	12.3
95.04936	1.0
95.08601	2.4
105.06993	1.9
107.04863	0.4
107.08588	11.5
109.06487	1.7
109.10151	4.0
117.06985	0.7
119.08552	1.6
121.06503	2.8
121.10107	0.9
123.11691	9.4
127.07517	1.6
130.07779	0.5
131.08546	1.3
135.08052	3.9
135.11678	11.8
137.05946	1.3
137.09621	0.5
139.03862	1.2
141.32040	0.4
145.06491	0.4
145.10095	3.1
147.08043	0.5
149.06001	2.6
149.09621	2.2
153.05440	2.6
155.08528	1.0
158.07204	0.6
159.08031	0.9
161.05946	0.9
162.06726	0.9
163.07539	5.1
163.11150	1.5
165.05453	1.7
167.07039	0.9
169.04924	0.7
173.09619	3.4
175.07492	1.2
176.08292	1.7
177.03963	0.8
177.05463	13.3
177.09081	13.3
177.12704	1.2
178.05956	0.4
181.04927	0.8
181.08575	0.6
186.10300	0.4
187.07452	1.1
187.11160	0.8
189.09111	1.0
190.06242	0.9
190.09892	0.6
191.07059	3.3
191.10654	5.1
192.07649	0.5
195.06502	0.7
195.10159	0.8
196.08821	0.4
201.09090	3.9
203.06978	1.2
204.07809	5.4
205.08566	3.6
205.12225	1.6
206.09369	0.9
207.10103	1.4
213.09178	0.4
214.09842	0.8
215.06961	0.4
215.10658	2.8
218.09380	0.5
219.06546	4.1
219.10144	66.0
220.10448	3.2
225.11209	3.8
228.07813	1.6
229.08560	0.9
229.12225	1.2
231.10146	0.6
232.10902	0.5
233.11716	9.8
237.11194	100.0
238.11502	3.8
239.10651	1.0
242.09355	1.3
243.10107	1.3
243.13728	0.5
244.10770	0.5
246.08882	0.4
247.13358	0.8
251.12766	11.7
257.11710	11.1
257.15082	0.6
258.12073	0.6
259.13257	0.9
261.11273	1.0
263.12988	0.5
275.12766	15.9
275.16104	1.0
276.13040	0.7
277.14471	0.7
279.15952	0.6
285.14835	4.3
289.14444	0.5
299.16434	0.4
303.15869	9.6
304.16086	0.5
341.21130	8.1
342.21283	0.6
359.22144	53.2
360.22327	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	359.2214
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91595	0.4
52.62703	0.3
53.95981	0.3
55.01866	0.4
57.03438	2.3
57.07070	2.1
58.07402	0.4
60.44518	0.4
62.01482	0.4
67.05484	0.7
69.03398	0.7
69.07037	0.9
70.06576	2.2
70.20110	1.1
70.20524	0.7
71.08606	0.9
71.17221	0.3
79.05462	1.3
81.07024	1.5
83.01329	3.9
88.07609	3.6
89.07932	0.8
91.05486	2.1
93.07042	4.8
95.08573	0.9
102.09176	0.5
105.07005	1.1
106.08627	1.9
107.08556	5.4
109.06497	1.3
109.10159	0.9
110.49898	0.4
117.06981	1.4
119.08553	0.6
121.06482	1.3
121.10147	0.6
123.11693	0.9
130.07764	0.8
131.08511	1.2
135.08040	4.3
135.11688	9.2
137.05989	0.5
139.03873	1.0
145.06345	0.4
145.10101	2.5
149.05954	1.4
149.09583	1.8
149.47725	0.4
153.05424	0.6
155.08496	1.2
158.07228	0.7
159.07997	0.5
161.05934	1.0
162.06750	1.3
163.07532	3.8
163.11165	1.9
165.05457	1.3
166.56256	0.4
173.09644	2.6
175.07465	0.9
176.08315	2.2
177.05478	4.5
177.09102	10.2
178.09386	0.6
190.06236	0.7
191.06987	0.8
191.10651	6.1
201.09132	4.0
204.07829	2.5
219.10150	60.0
220.10463	2.3
221.27448	0.4
225.11227	2.4
237.11198	100.0
238.11539	5.2
251.12724	0.6
275.12723	0.8
277.14478	0.7
341.21088	0.9
341.36096	1.4
359.22165	10.5
359.37097	26.8
360.22418	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.2214
Annotation	Myrsinoic acid C
Peak:m/z	Relative Intensity
50.04458	0.3
53.03923	0.3
55.05496	0.9
57.03201	0.3
57.03432	2.4
57.07068	1.5
62.46415	0.3
67.05501	1.8
69.03397	0.9
69.07053	1.6
71.34373	0.8
71.34710	0.3
79.05470	1.2
81.03424	0.3
81.07051	3.8
83.01333	4.1
83.04972	0.4
83.08538	0.3
85.02879	0.5
85.06508	1.1
91.05462	2.3
93.07037	7.9
93.83007	0.3
95.04950	0.8
95.08582	1.4
105.07008	1.7
107.08582	7.8
109.02883	0.3
109.06489	1.1
109.10175	1.8
109.10773	0.4
110.41473	0.3
111.04441	0.4
117.07014	0.8
119.08564	0.9
121.06487	1.2
121.10119	0.9
123.08049	0.4
123.11695	11.9
127.07521	0.6
129.06967	0.5
130.07729	0.4
131.08536	1.0
133.06490	0.4
133.10190	0.5
135.08067	5.2
135.11682	10.2
137.05952	0.8
139.03903	0.9
145.10095	2.4
149.06024	1.5
149.09567	2.1
153.05455	2.3
155.08501	1.1
155.70839	0.3
158.07262	0.8
159.08095	0.5
161.05965	1.5
162.06773	1.6
163.07536	4.9
163.11147	1.8
165.05402	1.1
173.09610	2.7
175.07571	0.9
175.11044	0.4
176.08296	1.7
177.05499	1.9
177.09096	11.3
178.09517	0.5
178.66022	0.3
190.06197	1.2
191.06999	1.2
191.10652	6.0
195.08478	0.3
201.09077	4.7
203.07248	0.5
204.07816	2.0
205.08513	0.7
205.12189	0.4
206.09363	0.4
207.10112	1.0
211.84061	0.3
215.10730	0.8
217.08528	0.4
219.10152	67.0
220.10469	3.0
225.11183	2.5
227.95186	0.4
228.07660	0.4
233.11661	1.5
237.11195	100.0
238.11569	3.9
243.10130	0.8
245.11784	0.3
251.12816	3.1
257.11752	3.0
259.13181	0.6
261.11182	0.7
275.12781	2.7
275.16418	1.1
285.14822	1.4
303.15918	3.9
341.21161	3.6
359.22144	26.4
360.22623	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.2214
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.2
55.01856	0.2
55.05501	0.6
57.03403	0.2
57.07065	0.8
65.03920	0.2
67.01853	0.1
67.05495	0.8
69.03411	0.2
69.07052	0.8
71.04959	0.2
71.75980	0.1
71.98877	0.1
74.09709	0.1
75.86839	0.1
77.03905	0.1
79.05479	0.9
81.07045	1.6
83.00848	0.2
83.01327	2.8
83.04954	0.3
83.47605	0.1
85.02888	0.2
85.06506	0.4
91.05001	0.1
91.05473	1.6
93.07033	4.2
94.25269	0.1
95.04941	0.3
95.08590	1.2
95.12041	0.1
97.10200	0.1
103.05423	0.2
105.07013	1.1
107.04929	0.2
107.08580	4.9
109.02856	0.2
109.06510	1.3
109.10135	1.1
111.04389	0.1
117.06991	0.5
119.04906	0.2
119.08549	0.3
121.02840	0.3
121.06485	1.4
121.10110	0.4
123.04424	0.1
123.11694	4.1
125.31139	0.1
127.03878	0.2
129.06961	0.2
130.07751	0.2
131.08560	0.5
133.06459	0.3
133.10109	0.2
135.04362	0.2
135.07037	0.2
135.08040	2.3
135.11678	6.3
136.12004	0.1
137.05949	0.5
137.09573	0.1
139.03871	0.8
143.08517	0.1
145.10117	2.2
147.08047	0.1
147.11661	0.2
149.05969	1.7
149.09572	1.0
153.05461	1.3
155.08501	0.6
158.07243	0.5
159.04457	0.1
159.08006	0.4
161.05963	0.4
161.71579	0.1
162.06682	0.2
163.07515	1.5
163.11137	0.7
165.05496	1.1
166.89355	0.1
167.06969	0.1
169.04945	0.4
173.09613	1.9
175.07539	0.2
175.11214	0.1
176.04677	0.1
176.08279	0.6
177.05457	11.1
177.09077	8.3
178.05756	0.1
178.09427	0.2
179.03300	0.1
181.04929	1.1
181.08537	0.2
183.07990	0.1
186.06723	0.1
189.05441	0.3
189.09158	0.1
190.06221	0.3
191.07042	0.3
191.10625	2.2
195.06567	0.6
201.09091	2.7
203.06961	0.4
203.10709	0.1
204.07784	3.8
219.10139	41.6
220.10463	1.5
225.11195	2.7
233.11707	0.4
237.11183	100.0
238.11520	3.1
242.09163	0.1
243.10104	0.3
249.11218	0.2
251.12741	0.7
257.11731	0.8
261.11176	0.3
275.12750	1.1
275.16315	0.3
277.14307	0.4
285.14920	0.3
303.15817	0.8
313.25519	0.1
341.21072	0.3
359.22116	11.4
360.22449	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1696
Annotation	Loliolide beta-D-glucopyranoside
Peak:m/z	Relative Intensity
51.25729	1.2
53.03943	1.7
55.01866	3.6
55.05505	3.5
56.05030	2.9
57.03430	4.2
58.82010	1.3
61.02922	6.8
65.03951	1.7
67.05492	2.5
69.01344	1.4
69.03423	10.6
69.07045	1.7
69.45658	2.6
69.46073	11.9
69.95874	1.3
70.06580	9.5
71.04977	2.9
72.07760	3.0
72.08146	37.7
73.02890	2.8
74.00689	1.4
76.04030	2.0
79.05507	3.1
81.03406	6.2
81.07051	2.8
84.04490	10.9
84.08139	11.2
85.02897	37.1
85.63649	1.3
86.09718	10.5
87.04457	1.6
91.03934	2.7
91.05462	6.4
93.07030	4.6
95.04950	4.4
95.08588	3.9
97.02884	9.1
97.06541	1.7
98.09622	1.9
99.04420	2.1
101.25301	1.5
103.05447	1.8
105.07036	8.8
107.08578	54.2
108.08198	1.3
108.08936	1.8
109.02831	2.9
109.06523	3.5
109.10136	8.4
116.07062	2.2
119.08546	2.4
121.06496	1.9
124.06709	1.9
127.03884	8.8
130.04999	5.5
130.06508	2.2
131.04863	2.1
133.10115	22.5
135.08183	1.7
135.09174	5.4
135.11659	11.4
137.05981	5.0
137.09563	6.9
143.11771	4.9
145.04953	7.8
149.09602	2.1
151.11171	7.2
160.22804	1.6
161.09598	9.9
163.03833	1.8
171.11252	2.1
177.03207	1.8
179.10645	23.0
185.03667	2.2
189.12361	3.4
197.11714	100.0
197.84685	1.3
228.13441	1.6
231.04384	2.3
240.75024	1.5
311.60324	1.5
315.22546	1.9
316.43707	1.5
337.61545	1.5
359.16479	4.0
371.19583	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1698
Annotation	Grevilloside B
Peak:m/z	Relative Intensity
53.71286	1.0
56.05032	0.9
61.02922	1.1
67.05489	2.3
69.03404	1.8
70.06583	5.1
70.90726	1.2
70.91058	2.2
72.08159	7.9
77.98989	0.9
79.05486	3.6
81.03431	1.2
81.07053	2.6
83.04995	1.5
84.04510	3.1
84.08163	2.1
85.02910	6.1
86.06037	1.0
86.09705	3.8
87.04461	2.2
91.05473	5.6
93.07037	7.4
95.04970	2.2
95.08617	1.2
97.02859	1.6
100.51068	1.1
105.07015	7.9
107.08588	21.4
109.06519	2.5
109.10135	2.9
117.83289	1.1
119.04964	1.8
119.08550	2.3
121.06516	1.8
121.10105	1.5
123.04433	1.1
123.08062	1.3
123.11657	1.4
126.03783	1.1
127.03996	2.9
129.10141	1.4
130.05014	1.5
131.08517	1.4
133.10126	22.0
135.09146	1.3
135.11696	17.9
136.07549	2.7
137.05936	3.0
137.09576	1.7
149.09656	1.5
151.11171	1.6
161.09612	10.4
179.10658	36.5
197.11720	100.0
198.12032	2.3
212.07439	4.0
213.07809	4.9
315.13348	1.4
359.16632	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1596
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	4.5
57.03420	1.7
57.07055	1.5
65.03929	10.1
67.05505	2.6
69.03426	1.2
69.07051	2.7
70.06590	2.5
71.15069	2.0
72.08146	2.2
79.05485	3.6
81.03382	1.4
81.07041	7.5
83.04974	1.8
83.08607	1.7
84.08125	4.4
91.05460	3.1
91.22286	1.2
92.04993	3.8
93.07028	3.5
94.06533	2.1
95.08588	4.5
97.02946	1.1
97.10134	1.3
99.08045	1.3
105.06997	3.3
107.07314	3.7
107.08601	3.6
108.08105	13.5
109.10134	2.1
116.04955	2.5
119.08553	3.1
120.04443	10.0
121.10092	1.7
122.05985	2.5
122.09641	4.5
122.16868	1.3
123.11690	1.4
132.95146	1.1
133.10124	2.1
135.06757	2.4
136.07515	2.8
137.09587	1.5
138.09157	1.3
144.04430	7.7
145.10059	2.4
148.03918	100.0
149.04242	2.4
150.09131	37.2
151.07492	1.7
161.13301	1.4
162.05469	4.7
165.09276	1.0
166.04984	53.9
167.05345	1.3
172.03920	29.4
173.04295	1.9
175.07581	1.3
184.66151	1.0
187.11320	1.5
190.04951	11.6
192.29753	1.2
204.06544	45.3
205.06833	3.2
222.07698	1.3
229.13277	1.4
232.60480	1.0
251.06880	1.0
253.08626	1.2
257.12823	17.3
280.22153	1.1
285.12317	80.6
286.12704	3.0
327.13336	13.4
341.14548	1.2
359.11444	1.5
359.15503	2.1
359.22324	1.5
359.26630	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1633
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.0
55.01866	2.1
55.05508	1.3
56.05022	0.9
60.04523	1.7
61.01143	9.3
65.34116	0.8
67.05492	2.6
69.07069	1.4
70.06585	14.0
70.56302	1.0
70.56655	3.2
72.04502	2.3
72.08147	4.7
74.06085	1.0
78.03784	2.5
79.05491	2.6
81.03412	22.8
81.07042	2.7
84.04489	1.5
84.08141	5.9
85.06528	2.0
86.06062	40.1
86.09702	14.8
88.03967	1.0
91.05484	3.3
93.07047	1.5
98.06048	3.6
99.02670	4.8
101.10788	0.8
102.03824	1.3
102.05518	0.9
103.05457	4.2
107.04956	1.8
109.06487	1.6
110.07119	1.6
113.00593	3.6
113.04232	1.6
113.06014	1.5
115.05400	1.1
115.08674	19.9
116.07022	1.0
118.03214	1.0
119.04940	2.7
120.04763	2.1
120.08086	3.3
121.06514	1.2
124.07577	1.7
127.08683	1.1
129.10226	3.1
130.08611	1.0
131.04953	6.3
133.02846	1.7
137.05975	18.7
140.05295	1.3
141.03680	62.5
142.08643	3.1
143.03122	0.9
143.04897	0.9
143.11821	1.2
147.04401	2.8
147.05838	2.1
148.06688	1.4
149.06036	1.9
149.07463	2.6
149.09595	1.2
151.03880	4.2
151.07590	1.2
155.08179	0.9
158.06345	7.2
161.05991	1.8
163.07538	4.3
165.86957	0.9
173.09308	1.2
175.07588	3.1
179.07007	2.9
179.08434	1.0
184.09630	1.3
187.03899	2.8
187.07552	1.3
189.12354	2.0
191.08670	1.3
200.07399	2.9
217.08557	1.0
219.08061	2.6
220.08839	0.9
225.09087	1.1
229.10048	100.0
230.10410	2.6
239.08406	2.0
239.10739	1.0
247.07616	1.7
251.07033	0.9
251.10574	1.0
265.08636	2.0
267.10172	1.2
272.54913	0.9
279.10150	2.3
291.10156	1.6
297.11255	1.6
299.12680	2.7
311.12796	3.6
313.03201	0.8
329.13760	7.2
341.15298	21.6
342.15756	1.0
342.23251	0.9
359.14999	1.7
360.10580	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1484
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.0
53.07291	0.9
55.01861	1.6
55.38370	0.8
67.05506	1.6
69.07085	1.6
70.06590	5.6
71.47741	0.9
72.08135	2.7
77.03889	1.1
78.88961	0.9
79.05515	1.1
81.03408	1.2
84.08122	2.9
84.92239	0.9
86.09695	58.2
91.05469	2.9
95.04947	2.4
102.19637	0.8
103.05456	50.6
104.05790	1.1
105.07015	2.0
107.04955	1.2
110.07154	1.5
115.05424	1.0
116.07057	1.3
119.04932	2.8
119.08617	1.0
122.03629	1.0
129.10216	2.4
130.04079	0.9
131.04913	100.0
132.05290	2.5
132.10266	0.9
137.05957	16.9
141.10185	2.5
143.11789	9.9
147.04375	3.9
149.05957	1.3
150.06705	1.8
151.03857	2.2
155.11717	1.9
156.10138	1.6
159.04454	2.3
161.05951	2.3
161.88225	1.1
162.06732	2.1
163.07539	22.7
171.11284	5.0
175.07526	1.9
179.07027	1.5
183.11314	2.4
187.03900	14.3
187.07545	1.8
189.12358	11.7
200.13925	5.7
201.12335	4.2
207.08124	1.2
219.08014	1.2
223.07358	1.2
228.13390	1.6
229.72607	1.1
247.07515	1.3
251.06963	1.5
279.06601	1.1
291.06689	1.6
291.09998	1.2
293.07953	3.3
311.09018	3.7
311.12256	2.3
323.09021	1.5
323.12726	1.3
329.13788	2.1
341.10236	1.4
345.97989	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1485
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50918	2.5
55.01877	2.7
58.48349	2.5
70.06564	2.5
71.26905	4.7
73.36658	2.1
79.05489	3.7
86.09677	5.7
91.05466	23.7
93.07031	3.9
94.04179	3.9
95.04946	4.7
97.29739	2.4
98.68239	2.3
103.05450	55.0
105.03381	3.8
105.07032	7.1
107.04910	2.9
108.05624	2.1
109.06509	5.4
112.78846	2.3
115.05463	6.4
117.07003	3.3
119.04929	18.6
121.06464	3.9
122.03624	4.1
131.04916	88.2
133.02814	4.1
133.06477	6.7
135.04475	2.8
137.05972	100.0
142.44624	2.3
145.06467	3.3
147.04428	16.8
147.08057	6.2
149.05972	9.6
151.03931	4.2
151.07529	6.7
159.08052	4.6
160.05101	3.8
161.05957	19.3
162.06758	6.9
163.07506	25.1
174.24420	2.3
175.07507	23.6
177.05499	2.2
179.07053	5.4
179.08485	4.1
187.07553	14.3
191.08626	5.8
193.08508	3.0
194.07259	2.7
205.06747	3.9
205.08612	10.6
207.08040	4.5
219.08018	11.4
222.06491	3.2
225.09125	3.1
231.08031	3.5
235.07576	4.9
237.09195	4.4
247.07440	5.2
248.08217	3.3
251.07114	3.5
251.10591	5.0
253.08499	4.6
259.07483	2.7
265.08621	4.6
279.10135	8.1
282.42758	2.6
285.11328	3.2
291.10162	2.5
295.09625	2.8
297.11200	8.3
299.12723	7.4
309.10953	2.9
311.12863	12.0
315.14447	2.4
329.13858	3.5
341.13754	2.4
359.13092	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	359.1485
Annotation	Negundin B
Peak:m/z	Relative Intensity
57.03165	5.4
57.03432	100.0
67.05471	2.9
70.06574	4.6
71.36864	3.1
71.37181	4.4
72.08110	3.1
91.05447	2.9
103.05484	2.7
105.06974	3.0
109.06490	3.8
109.16290	2.5
133.06429	4.6
137.05959	32.6
151.03883	3.4
153.05336	3.3
157.06429	3.8
161.05966	59.7
161.09567	4.1
162.06546	3.5
165.06978	3.3
165.09048	3.1
175.07513	3.1
181.06464	4.7
189.09094	21.6
191.08577	2.9
193.06807	4.5
193.08578	22.4
195.08075	3.5
209.05984	4.8
210.06715	4.0
217.08574	21.7
221.05876	4.5
221.72653	2.8
222.06815	4.6
224.08412	3.4
225.08897	5.6
238.06148	3.9
239.95839	3.3
241.08612	3.3
253.08592	30.4
269.08112	9.8
270.08838	4.0
273.11182	9.0
281.11621	4.6
283.09586	3.2
284.10443	17.8
285.11127	19.3
291.27527	2.6
292.00809	2.6
309.11169	40.8
329.13824	16.0
341.13803	43.9
358.49197	2.8
359.10971	6.4
359.14795	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	359.1485
Annotation	Prestegane B
Peak:m/z	Relative Intensity
55.01852	3.6
65.03947	2.3
70.80826	6.0
72.15770	2.2
79.05483	5.1
81.07044	2.5
87.75728	2.0
91.05469	31.7
94.04205	3.1
95.04939	7.1
103.05453	19.6
105.03390	4.7
105.07016	8.1
107.04949	4.2
108.65639	2.0
109.06514	5.7
115.05424	4.6
117.07004	2.8
119.04934	26.1
121.06490	6.5
122.03617	11.1
123.08067	2.6
124.05250	2.3
131.04924	23.8
133.02850	3.0
133.06494	10.0
135.04420	2.4
137.05963	100.0
140.42836	1.9
143.04950	5.0
144.05673	3.2
147.04388	19.5
147.08066	3.7
149.05934	10.2
150.06714	2.8
151.03882	5.7
151.07541	10.7
157.06416	2.2
159.08046	4.0
160.05211	4.6
161.05954	29.3
162.06749	9.5
163.07587	13.6
165.07010	2.4
172.05205	2.8
175.07513	24.5
178.07794	2.2
179.07057	10.6
179.08485	3.1
182.91551	2.4
187.07608	15.7
189.09016	2.2
191.08534	6.2
193.08609	6.4
194.07190	3.2
203.08524	4.2
205.06909	2.5
205.08575	11.5
207.08076	3.1
218.07112	2.1
219.08064	9.2
220.08815	2.7
231.08006	4.7
235.07510	3.9
237.08853	2.7
247.07497	9.0
251.10706	8.8
253.08585	2.8
261.47058	2.6
263.10709	2.5
265.08627	5.3
267.09970	2.8
279.10092	9.7
285.11243	5.0
291.10052	3.1
296.10464	3.9
297.11182	7.3
299.12708	9.6
310.11832	3.7
311.12842	11.7
315.73413	2.0
323.12830	2.4
329.13947	5.1
341.13690	4.1
359.14789	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	359.1486
Annotation	Prestegane B
Peak:m/z	Relative Intensity
53.03945	1.6
55.01868	3.1
57.03434	12.4
64.51877	1.1
65.03929	1.9
67.05504	1.2
70.06571	2.7
71.55769	1.9
72.08144	1.1
79.05486	4.5
81.07043	2.3
86.09686	2.2
91.05469	19.9
93.07048	2.4
94.04167	4.1
95.04964	2.5
102.04657	1.3
103.05460	7.6
105.03373	2.9
105.04488	1.3
105.07030	9.8
107.04948	5.0
107.08575	1.3
109.06524	4.3
115.05448	3.3
117.06994	3.0
119.04933	21.8
119.08603	1.7
121.06496	4.7
122.03630	8.2
123.08070	1.2
128.06250	1.7
129.06979	2.6
131.04900	6.9
132.05745	1.3
133.02863	2.2
133.06467	6.8
135.04439	1.8
135.08006	1.3
137.05965	100.0
138.06296	3.0
143.04924	1.8
144.05774	1.3
145.06487	2.7
147.04390	14.2
147.08011	2.5
147.89807	1.2
149.06001	10.2
150.06693	1.3
151.03903	3.0
151.07549	10.4
153.05492	2.3
157.06464	2.0
159.08058	2.5
160.05202	2.7
161.05963	31.6
162.06699	5.7
163.07472	4.1
165.05600	1.1
165.07002	2.9
167.07022	2.4
172.05150	2.1
173.05844	1.3
175.07510	18.7
175.08905	1.5
176.07957	1.2
177.09047	1.1
179.07068	8.2
179.08482	2.2
187.03964	1.5
187.07553	11.6
189.09137	3.5
190.07759	2.1
191.08490	3.5
193.08629	8.3
194.07066	1.4
195.08124	1.3
202.07716	1.9
203.08649	2.5
205.06645	1.9
205.08542	12.1
210.06717	1.5
217.08548	3.2
218.07095	1.7
219.08099	5.7
220.08543	4.0
221.05977	2.0
222.06659	1.8
225.09023	1.8
231.08051	3.8
235.07423	2.7
236.08209	1.6
237.09079	1.8
239.06947	1.4
247.07574	4.9
248.08185	3.1
251.10692	5.0
253.08524	5.4
259.07571	2.2
262.09476	1.2
263.10577	2.4
265.08459	1.8
267.06461	1.1
267.10165	1.8
279.10129	6.0
281.08133	1.5
281.11703	1.4
284.10284	3.2
285.11102	3.1
291.10068	3.5
296.10349	3.1
297.11102	3.4
299.12756	2.7
308.09976	1.4
309.11148	9.8
310.11795	1.3
311.12683	6.9
313.07013	1.9
323.13013	2.8
326.10983	3.0
329.13611	4.6
341.06494	1.6
341.13684	10.2
342.13925	1.3
359.07596	1.5
359.14877	3.2
359.23279	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1121
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	2.0
55.01854	2.9
64.27039	1.7
67.05469	2.6
69.07037	2.4
70.06587	12.2
71.39742	3.6
72.08150	3.1
78.11865	1.6
79.05463	5.3
81.07053	2.4
84.04520	2.0
84.08126	8.4
86.09695	75.9
87.05588	6.0
88.03987	3.6
91.05450	9.0
94.04191	2.1
95.04936	2.4
96.08129	2.3
98.02393	3.6
102.04643	3.1
103.05452	50.0
105.03364	2.3
105.07008	2.9
107.04949	5.3
113.10706	3.0
115.05441	2.8
119.04903	9.3
120.08110	1.9
121.06503	3.7
122.03596	4.8
124.05184	6.0
129.10222	4.0
130.28860	1.8
131.04912	100.0
132.10196	4.8
133.02834	7.0
133.06500	3.2
135.04367	7.6
137.05968	51.4
138.06355	2.7
138.09114	3.5
141.10191	4.0
143.11786	4.5
147.04370	14.8
149.05946	6.7
150.06750	13.0
151.03870	7.3
151.04970	2.2
151.07507	1.9
152.08357	2.1
153.05482	3.6
155.11775	7.9
159.04407	20.6
160.04718	1.8
161.05916	8.0
161.07173	2.5
162.06749	15.4
163.03902	2.9
163.07539	25.7
171.11327	3.0
175.07555	3.7
177.06879	2.4
179.07047	7.5
179.08549	3.5
180.07799	5.1
183.11243	6.4
187.03886	92.3
187.07446	3.0
188.04239	2.4
189.06926	2.3
189.12328	4.5
190.07883	2.1
194.07257	1.8
195.08063	3.3
200.13936	36.6
201.12407	3.1
205.04924	9.4
205.06593	3.9
207.08090	3.7
216.07249	1.9
217.04877	2.2
219.08073	2.5
221.06041	2.6
222.06660	3.2
223.07607	3.1
228.13361	8.4
233.05942	5.5
234.06450	1.6
235.07579	5.5
237.09015	3.0
250.06166	4.9
251.07121	8.9
263.07043	7.3
265.08548	4.4
273.05292	1.8
278.05734	3.5
279.06488	6.4
279.10049	3.1
280.07242	2.2
281.07813	2.3
283.09567	4.1
291.06485	6.3
291.09705	2.3
293.08102	11.0
309.07498	4.3
311.09161	23.6
311.12448	3.8
323.09052	4.8
325.17758	2.5
329.13559	3.8
341.10388	9.3
341.13684	2.3
359.08856	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	358.9984
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96559	28.8
59.58582	6.3
70.06580	5.9
71.74193	10.7
73.68713	5.7
81.03409	8.1
84.08128	14.7
97.02843	9.1
98.97575	100.0
102.39627	6.5
116.98610	95.8
119.01913	15.0
134.99663	68.7
136.82896	6.6
153.00688	17.3
172.94221	14.7
174.97670	14.4
177.01012	15.5
177.82991	7.6
190.95398	34.9
192.98726	15.7
208.96503	12.5
214.95547	11.3
216.98701	30.4
219.01984	30.4
221.01813	10.7
232.96518	53.2
234.99733	59.4
236.00200	7.6
236.99319	8.2
250.97629	32.9
252.97118	10.3
256.96515	12.4
258.99799	24.0
261.03110	22.0
263.02972	23.4
274.97678	56.0
276.98132	8.1
277.00659	35.8
279.00662	8.2
282.99869	9.8
292.95435	13.8
292.98694	29.4
294.98428	6.8
298.94553	10.3
298.97586	49.7
299.05627	7.8
301.01004	16.7
303.00946	8.5
316.95007	35.0
316.98779	84.5
318.98886	9.6
334.96182	25.0
340.00281	12.9
340.98776	16.2
358.96204	7.7
358.99838	68.1
376.97461	20.8
382.01608	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	359.0759
Annotation	Laxanthone II
Peak:m/z	Relative Intensity
55.01842	1.0
55.05508	1.5
57.03402	0.4
61.01103	0.7
65.03910	0.3
67.05466	0.9
68.99776	0.4
69.03394	0.3
69.07023	1.1
70.06573	0.3
70.98836	0.8
72.07825	0.3
72.08135	2.4
73.85178	0.3
79.01848	8.4
79.05457	0.9
81.07040	3.0
83.08584	0.9
84.04463	0.5
84.08108	0.3
85.06511	0.4
86.00635	0.4
86.09695	3.1
87.09997	0.6
91.05441	0.7
93.06995	1.1
95.04922	0.3
95.08588	1.4
97.02840	0.3
97.06464	0.3
97.10112	0.9
99.08065	0.3
101.05962	0.3
105.07011	0.6
107.04889	0.3
107.08549	0.8
109.10120	0.9
113.05956	0.3
116.01651	0.5
117.07024	0.3
119.08550	0.4
121.10121	0.7
123.00763	0.3
125.09592	0.4
131.04842	0.4
135.04366	1.0
137.01288	0.5
137.02316	6.6
137.05916	1.0
142.08603	0.9
143.02678	0.8
145.10027	0.3
146.11690	0.5
147.04446	0.3
147.11688	0.4
155.03384	0.4
159.08360	1.0
161.02330	1.6
161.05939	0.8
161.13272	0.3
163.03857	0.9
165.01781	0.7
167.06973	0.4
173.05913	0.7
179.03377	0.6
183.02855	1.3
185.16452	0.7
195.40099	0.3
201.05461	1.1
211.03993	0.3
229.04939	8.0
229.07237	0.6
237.13048	0.3
271.05875	1.5
275.05490	1.7
281.12207	0.5
299.05463	100.0
300.05801	3.3
313.07013	6.9
313.12155	1.2
321.32550	0.3
341.06528	36.4
342.06757	1.7
352.88022	0.3
359.07574	74.5
359.19702	3.7
360.07932	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	358.2947
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	2.2
55.10646	1.0
56.05031	29.3
57.03411	1.9
57.07067	10.9
57.60253	1.0
59.88709	1.0
67.05486	3.0
69.07034	1.5
69.72876	3.1
69.73299	4.9
70.06577	4.1
71.08620	7.0
74.06071	68.9
81.07029	3.5
83.08620	1.6
84.04498	3.5
85.10165	3.5
85.52769	1.1
87.04459	1.2
88.07637	6.4
95.08588	4.5
97.10082	1.3
98.61083	1.3
102.05529	49.7
102.09166	1.5
106.08645	4.7
109.10099	1.6
120.06564	100.0
317.09012	1.3
340.28500	2.1
340.35834	2.3
358.29831	1.9
358.36789	38.0
359.37067	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.2217
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.5
55.05507	8.1
59.05004	1.2
67.05487	3.1
69.03394	1.7
69.07068	13.8
70.06570	6.5
70.81082	2.3
70.81462	2.8
71.04951	1.3
72.08135	3.9
73.02875	1.0
73.06531	1.7
79.05473	3.5
81.07026	4.1
83.04975	6.7
84.04485	1.9
84.08150	2.1
86.06066	18.4
86.09164	2.4
86.09697	44.1
89.06024	1.4
91.05453	1.8
91.80270	1.0
93.07028	4.1
95.08585	2.4
96.08128	7.3
97.06514	2.3
98.09682	11.8
100.07619	2.5
101.05989	4.7
105.07007	1.3
107.08585	1.8
108.08117	2.7
111.04403	5.9
112.07533	1.4
114.09155	1.3
116.10718	27.3
119.08546	2.9
120.08061	1.4
122.09651	1.4
124.07543	1.5
128.07050	5.4
130.04967	1.3
133.08565	1.5
134.09622	1.7
137.02278	2.3
137.05945	2.0
137.09575	1.4
142.08640	12.8
144.64816	1.3
149.09587	1.4
152.44403	1.1
155.06990	2.4
162.12804	1.5
164.10689	5.1
173.08011	1.9
179.03325	2.9
182.15370	4.0
190.12154	3.8
198.14804	2.8
199.18037	13.3
205.06834	1.9
208.13298	5.2
212.16324	1.3
226.14360	33.6
227.17477	6.8
244.15430	100.0
245.15785	1.3
245.18584	1.7
284.06259	1.4
295.06107	1.2
299.05487	7.6
300.05765	1.3
313.07050	10.2
324.52328	1.2
326.16006	1.6
330.06763	1.9
340.05338	1.7
340.20966	1.6
341.06616	9.8
358.06519	2.1
358.14709	2.0
358.22101	3.6
359.07599	9.1
359.12115	1.8
361.80820	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
54.50867	0.2
55.01870	1.0
55.05495	0.3
57.03437	1.6
61.02922	0.2
65.03921	0.8
67.05514	0.2
68.53270	0.2
69.03408	0.8
70.06577	0.4
70.91658	0.7
71.01336	0.4
72.08157	0.2
73.02907	0.7
79.05490	0.3
81.07045	0.7
84.04472	0.3
85.02905	1.2
86.09675	0.2
87.04468	0.3
89.88901	0.2
90.77383	0.2
91.05471	63.0
92.05801	0.9
93.07021	0.3
95.08601	0.3
97.02888	0.4
105.07043	0.3
107.08553	0.3
109.48795	0.2
113.83292	0.2
115.03939	0.3
115.84496	0.2
116.78114	0.2
121.00535	0.2
128.07118	0.3
137.05986	0.4
148.06178	1.7
181.26634	0.2
195.05661	0.2
209.08218	0.6
213.06573	0.2
226.10855	100.0
227.11177	2.9
237.12286	0.5
268.11874	0.3
299.05322	0.3
313.07108	0.6
326.10965	0.4
330.07025	0.3
341.06610	0.4
358.15079	21.3
359.15512	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.2219
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11051	0.6
53.03933	0.8
55.01854	1.5
55.05501	8.3
57.03432	1.2
62.06083	5.1
67.05496	2.6
69.03405	0.7
69.07056	24.9
70.06583	3.6
70.81053	1.6
70.81440	1.5
72.08137	3.0
73.06548	2.0
79.05470	2.4
81.03410	0.8
81.04539	0.7
81.07034	3.4
82.06568	1.6
83.04968	7.5
84.04491	1.7
84.08121	1.9
85.02864	1.3
86.06056	22.7
86.09696	20.0
86.55165	0.7
89.73184	0.7
91.05451	2.3
93.07026	2.8
95.04922	0.7
95.08582	1.8
96.04475	0.7
96.08116	7.1
97.06499	3.0
98.06051	1.4
98.09678	10.8
99.04452	1.1
100.07593	2.8
101.06001	7.5
103.05505	0.8
105.07021	1.7
107.08542	1.2
108.08123	2.1
109.06499	1.2
111.04419	7.8
114.09129	1.7
115.07542	2.6
116.10719	28.1
117.06984	0.8
119.08569	5.1
120.08100	1.3
121.10166	1.3
122.09635	1.0
123.08092	0.9
124.07538	1.9
128.07085	4.9
129.05446	2.1
134.09633	2.3
136.11179	0.9
137.05954	1.3
137.09563	1.7
140.10658	1.5
141.09071	2.1
142.08626	15.6
146.09669	0.9
154.08635	3.7
155.07031	3.2
158.11765	3.3
161.05974	0.9
164.10674	6.8
166.12166	0.8
172.03888	2.0
172.09666	2.4
173.04279	3.1
173.08122	2.4
180.13823	1.7
182.15372	5.7
184.13206	1.5
190.12331	4.6
195.14063	0.9
198.14871	2.3
198.64807	0.9
199.18074	5.0
204.06580	3.2
205.06891	4.8
208.13298	6.9
212.16449	6.7
226.14352	33.5
227.14693	1.0
227.17487	2.0
230.17509	0.9
239.72423	0.8
244.15424	100.0
245.15767	2.3
276.15729	1.2
277.16260	2.6
295.17252	1.3
340.21240	12.3
358.22211	3.3
359.12866	2.7
359.20160	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.1494
Annotation	Bakankoside
Peak:m/z	Relative Intensity
50.17575	0.2
53.03922	0.2
55.05476	0.4
56.05001	0.3
56.96563	1.5
57.03406	0.7
61.02905	0.3
67.05460	0.3
69.03434	1.6
70.06581	3.1
70.46297	0.4
70.46694	0.6
72.08124	1.1
73.02873	0.6
81.03392	0.7
84.04474	0.7
84.07747	0.3
84.08141	3.3
84.51522	0.3
85.02895	2.4
86.06023	0.3
86.09700	0.7
87.04433	0.3
91.05420	0.6
92.04980	0.4
94.06533	0.7
97.02886	1.6
97.06493	0.3
98.97562	1.3
102.05492	0.3
103.05037	1.4
105.07012	0.4
106.06589	0.3
109.02847	0.5
110.06033	1.2
110.07145	0.7
112.11196	0.4
115.03865	0.3
116.07098	0.4
116.98617	0.7
117.05769	0.5
119.01881	0.6
119.04922	0.8
120.08067	0.3
122.06023	0.8
123.06799	27.1
124.07558	1.0
127.03874	0.7
128.98592	0.3
129.10219	0.9
132.08078	1.4
132.52316	0.3
133.05246	0.3
134.06021	1.3
136.03677	0.4
136.06084	0.3
136.07553	3.1
138.05470	1.0
143.01862	0.3
145.03467	0.3
146.99573	0.3
147.04382	2.8
147.06761	0.6
148.04744	0.3
148.07568	3.9
150.05498	4.8
150.09099	3.0
151.06186	0.6
152.05673	0.9
152.07037	1.8
153.07841	0.3
160.07564	5.3
161.02887	0.4
162.06548	0.4
164.06992	0.4
166.08629	7.9
175.11873	0.3
178.04779	1.0
178.06125	0.8
178.08620	15.2
190.06129	0.5
195.08684	0.3
195.53979	0.4
196.09680	100.0
197.10049	1.4
208.07182	0.3
211.04573	0.3
213.06230	0.3
214.03743	0.3
221.05096	0.5
223.04562	0.3
226.08093	1.3
227.04297	0.4
232.04865	0.4
237.02873	0.3
251.07396	0.6
265.63428	0.3
272.79129	0.3
311.09714	0.6
340.12100	0.5
350.02530	0.3
358.08978	0.8
358.10745	0.6
358.14972	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	358.1407
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	2.3
65.93848	1.1
70.06575	1.3
71.52570	1.9
72.08147	2.3
79.05479	1.5
86.09690	3.7
90.67623	0.9
91.05460	2.9
95.04965	1.5
102.04714	1.3
103.05450	1.8
105.06996	2.2
107.04916	2.8
115.05440	2.1
117.03355	4.1
117.07034	1.5
119.04916	2.0
129.06990	1.4
130.04126	7.6
131.04880	5.4
132.05629	1.0
133.06476	2.6
135.04456	2.1
137.05954	18.6
143.04903	1.1
144.05658	1.5
145.06476	2.7
147.04405	12.9
149.05952	1.4
150.06717	2.5
151.03915	2.9
152.06172	1.9
153.06964	1.9
159.04385	1.3
160.05229	1.7
161.05968	10.9
162.06752	41.7
163.07423	3.0
165.05731	1.4
165.06921	5.6
166.07736	2.5
167.08650	1.4
169.06470	3.0
169.10303	1.1
173.06023	1.5
174.06750	2.9
175.07553	3.7
177.05403	1.7
177.06883	1.9
178.07751	3.4
179.08517	5.3
181.06444	3.0
181.10205	1.0
182.07266	2.2
183.08055	1.4
185.06050	1.3
186.06726	2.6
187.07480	1.8
189.06985	3.0
190.07761	6.7
191.08530	13.1
192.09172	2.1
193.06531	2.4
194.07286	4.6
195.08035	3.6
196.08842	1.1
197.05962	2.8
197.09579	1.7
199.07397	1.2
201.05527	1.2
202.07771	3.7
203.08528	3.6
205.06500	4.2
205.10146	1.2
206.07219	3.8
206.09172	1.0
207.07993	8.8
208.08818	3.8
208.63516	1.1
209.05951	2.2
209.09578	3.3
210.06766	3.7
211.07545	3.8
213.16003	1.2
215.08516	1.1
218.07280	4.9
219.08035	23.8
219.09996	2.0
220.08754	5.9
221.06024	5.1
221.09534	3.9
222.06638	2.8
223.07559	5.5
223.11142	1.3
224.08261	4.0
225.05566	2.1
225.09019	6.8
226.09782	1.5
229.06371	1.6
231.08121	2.7
232.08804	2.1
233.09608	4.7
234.06760	3.8
234.10361	4.5
235.07542	10.2
236.08258	6.6
237.05443	1.9
237.09033	5.5
238.06186	2.9
238.09651	1.2
239.06927	2.5
239.10675	2.7
241.08655	1.4
246.06729	2.0
247.07549	13.4
248.08148	6.3
249.09097	4.0
250.06180	1.4
250.09834	1.8
251.07111	4.0
251.10637	6.6
252.07774	4.4
252.11349	3.8
253.08604	10.6
254.05797	1.4
254.09175	2.5
259.07565	2.0
261.09064	5.9
262.09738	5.1
263.07037	5.1
263.10623	2.2
264.07709	4.6
265.08554	9.3
266.05960	1.6
266.09183	2.3
267.06519	2.1
267.10135	5.4
269.08066	3.8
270.08966	1.2
272.10419	3.7
275.06915	2.9
276.07666	1.2
277.08609	3.7
278.09366	6.9
279.10147	12.7
280.07526	1.4
280.10825	6.2
281.05386	1.1
281.08090	6.1
281.11240	1.5
282.08755	2.0
282.12195	1.2
283.09518	1.6
284.10471	1.4
285.11087	3.0
289.08688	3.0
290.09247	4.5
291.10162	7.9
292.07278	1.3
293.07828	2.4
293.11432	1.9
295.09644	2.6
296.09970	1.9
297.11273	7.9
299.12601	1.3
300.13428	2.1
304.11011	1.3
305.11572	1.2
307.09628	7.1
308.10349	23.8
309.11136	10.3
310.11948	17.9
311.12640	3.0
312.13425	1.5
322.11951	3.9
324.09784	1.3
325.10675	53.4
326.11127	2.9
327.12280	1.5
328.12955	17.9
339.12149	1.9
340.13007	100.0
341.13373	4.4
358.13782	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	358.0896
Annotation	Unknow
Peak:m/z	Relative Intensity
55.28769	1.3
70.06564	6.0
71.74721	2.1
73.19701	1.3
84.08115	3.3
86.06032	2.0
86.09663	2.1
92.05010	7.4
110.06020	11.3
129.10234	1.6
196.03700	100.0
197.03981	1.5
222.02834	1.7
225.52097	1.4
246.81827	1.2
246.84387	1.5
358.08893	60.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.113
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39361	1.7
53.03944	4.8
55.01868	3.1
57.03431	3.3
61.02922	3.5
65.03953	1.8
68.60162	1.4
68.99792	1.7
69.03420	13.9
70.06604	7.2
71.04998	2.2
71.74273	1.8
72.08147	3.8
73.02895	4.7
79.05492	3.1
81.03410	15.5
84.04517	2.2
84.08131	7.5
85.02905	30.1
86.09702	5.1
87.00827	15.1
92.05006	3.8
95.05008	2.5
97.02883	8.7
99.04453	5.6
105.01862	9.1
106.06536	7.5
106.08489	1.6
108.04427	1.9
109.02882	14.4
109.05266	4.7
110.06034	100.0
114.89185	1.5
115.03900	1.4
116.07068	2.6
117.01891	2.7
119.04930	2.1
120.08080	2.3
122.05998	5.7
122.70280	1.4
127.03918	18.8
129.01817	2.1
129.10217	3.6
131.04939	1.6
134.06006	17.4
136.07550	2.5
137.06003	3.0
140.71266	1.5
145.04919	7.9
146.06029	2.7
147.02875	2.3
147.04446	2.9
148.04771	2.4
152.07092	11.0
159.02863	6.9
164.07076	2.6
172.07552	4.3
176.07117	5.0
179.03427	3.7
190.08513	2.2
200.07137	6.8
218.08130	4.3
225.96878	1.6
231.05243	1.7
240.12433	3.0
254.13728	1.5
294.36987	1.7
322.09088	3.1
340.10278	6.4
340.17703	4.4
341.10318	1.8
358.11127	7.6
358.18933	3.0
359.13068	4.5
359.18219	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	357.2995
Annotation	MG(18:1(9Z)/0:0/0:0)[rac]
Peak:m/z	Relative Intensity
51.99726	2.6
53.03934	4.8
55.05508	66.7
57.03429	13.5
57.06797	3.4
57.07072	46.3
67.05499	81.9
69.07062	97.9
70.07484	2.4
70.20004	16.1
70.94317	2.7
71.04982	5.7
71.08629	26.7
75.04473	3.8
79.05487	52.9
81.07047	79.2
82.07380	2.7
83.04967	5.6
83.08611	68.3
83.09079	5.8
85.06539	4.7
85.10176	16.4
87.04477	5.2
91.05418	6.0
93.07033	62.8
95.04960	3.7
95.08595	87.9
97.06516	36.1
97.10158	51.0
98.20827	3.4
98.71790	2.8
100.29733	2.6
103.03938	4.0
105.07005	4.1
107.08579	51.2
109.10142	37.4
111.08079	10.7
111.11727	10.1
121.10136	100.0
123.11723	18.0
125.09616	6.2
129.05482	3.2
135.11681	74.1
137.13268	8.1
139.11166	8.4
149.13249	38.1
151.14822	9.2
153.12772	4.0
155.14252	3.1
157.12263	3.6
163.14813	15.7
165.16374	9.7
167.14314	5.1
177.16365	6.2
179.03362	17.0
191.17976	6.9
200.77872	2.8
235.09598	13.2
247.24200	77.3
248.24553	4.3
265.25241	63.8
266.25504	5.3
283.26355	3.6
327.95178	3.2
339.28989	44.3
340.29288	4.3
357.20554	12.1
357.30038	4.7
357.35281	3.9
358.36703	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	357.2995
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	69.4
57.03423	18.8
57.06844	5.8
57.07077	64.1
67.05501	67.5
69.03437	8.9
69.07066	100.0
69.41631	77.8
70.06577	20.8
71.08624	41.9
75.04482	7.7
78.71525	6.6
79.05482	44.7
81.07052	85.8
83.08626	59.3
84.75657	6.7
85.10167	10.1
86.11750	6.4
87.04485	7.2
88.07619	25.4
89.07977	7.4
91.05473	18.9
93.07042	59.6
95.08610	92.5
97.06522	24.3
97.10162	51.3
98.63168	6.3
102.09193	9.9
106.08672	14.6
107.08585	42.1
109.10155	45.8
111.08064	12.1
111.11741	14.0
121.10149	78.1
123.11697	25.5
133.10143	8.4
135.11690	58.2
137.13177	9.0
149.13245	26.7
163.14819	14.7
163.98766	10.9
164.98495	20.7
165.05476	63.7
171.13876	8.4
177.16345	9.2
195.69203	8.1
209.63640	6.8
217.08615	15.0
235.09618	11.6
247.24179	56.3
250.36539	7.2
265.25275	36.2
287.16412	26.5
328.17847	13.5
339.28748	16.7
339.34616	10.9
342.20340	7.3
357.11646	13.5
357.20486	13.4
357.35321	47.0
358.12253	7.5
358.36749	24.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.2994
Annotation	MG(18:1(9Z)/0:0/0:0)[rac]
Peak:m/z	Relative Intensity
50.85294	8.2
53.03938	10.0
55.05518	48.1
55.65435	8.8
57.03432	15.3
57.07063	35.8
60.79063	8.7
61.53537	9.2
66.80574	9.2
67.05495	60.4
67.76971	8.4
69.07055	81.0
71.08630	23.2
71.76429	12.8
78.83310	8.8
79.05485	59.6
81.07050	100.0
83.08611	61.4
85.10185	15.1
91.05490	10.6
93.07049	43.7
95.08582	67.5
97.06517	30.6
97.10172	24.8
103.03912	10.4
107.08575	52.8
109.10165	38.0
121.10148	80.9
123.11651	14.6
135.11630	52.6
148.60159	9.0
149.13246	34.5
151.14877	12.5
153.12717	13.4
163.14793	12.1
165.09122	26.6
165.66592	11.1
188.23691	8.7
247.24174	70.7
265.25174	60.3
339.28738	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	357.2996
Annotation	MG(18:1(9Z)/0:0/0:0)[rac]
Peak:m/z	Relative Intensity
51.56635	2.3
53.03928	2.9
54.14670	2.0
55.01855	4.4
55.05506	70.0
56.05835	2.5
57.03426	11.4
57.07069	44.5
63.52145	2.4
67.05140	4.5
67.05497	77.8
68.05827	2.8
69.07060	100.0
70.06566	3.4
70.07361	2.5
70.42005	9.2
71.05005	3.2
71.08622	30.4
75.04459	6.6
79.05022	3.9
79.05486	54.6
81.07049	91.5
83.04961	4.0
83.08099	4.1
83.08611	75.5
85.06520	3.7
85.10168	15.4
88.07618	5.5
90.47031	2.0
91.05464	7.8
93.07034	65.3
93.16619	2.3
93.56040	2.5
94.07350	2.7
94.47782	2.0
95.04971	3.0
95.08005	4.4
95.08595	87.5
97.06516	35.2
97.10162	45.2
98.21451	2.8
99.08101	4.2
99.11698	2.5
103.03934	4.0
105.07018	3.4
106.08629	3.7
107.08577	54.5
109.10137	46.8
111.08095	14.9
111.08692	2.4
111.11698	14.4
115.07555	2.5
121.10127	96.4
122.10472	3.5
123.11694	14.7
125.09593	10.2
125.13236	4.3
129.05495	2.8
135.11678	67.1
136.12030	3.5
137.13225	9.0
139.11153	7.8
143.10666	3.0
149.13260	32.2
151.14799	10.2
153.12723	4.7
163.14774	15.9
165.16379	10.5
167.14249	3.7
177.16385	7.8
179.17867	2.5
181.15884	4.7
191.17912	5.7
195.17561	3.7
247.24185	77.4
248.24493	4.9
265.25247	70.5
266.25528	4.1
283.26260	5.7
324.67880	2.3
339.28891	44.3
340.29333	3.9
357.29935	9.7
357.35483	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	357.2995
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	83.4
57.03425	11.7
57.07066	42.0
62.00475	7.3
65.32834	6.9
67.05502	64.9
69.07066	100.0
70.06592	23.0
70.29543	24.6
70.29954	15.7
71.08613	20.1
79.05479	53.7
81.07047	86.5
83.08604	64.4
85.10176	14.7
87.24200	7.0
88.07616	24.1
91.88500	7.8
93.07027	65.8
95.08591	79.4
97.06532	28.3
97.10159	36.1
98.20822	11.0
98.21329	11.4
102.09185	8.6
103.03921	9.6
103.74303	7.1
107.08578	56.4
109.10133	48.1
111.08086	12.8
111.11713	18.8
121.10128	88.8
123.11686	13.4
135.11676	66.6
137.13297	9.8
139.09074	7.3
149.13280	35.0
163.14781	9.3
165.16353	8.3
177.16360	8.9
207.07889	7.8
247.24263	48.5
265.25262	59.5
308.59500	8.3
339.29034	37.5
343.15656	11.1
357.35507	97.3
358.36758	75.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.2055
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.3
55.05487	0.7
55.65451	0.3
57.03399	0.3
57.07047	0.4
59.83323	0.2
63.70951	0.3
65.03909	0.2
67.05499	1.3
69.07066	1.5
69.07377	0.2
70.17688	1.5
71.04981	0.4
77.03954	0.3
79.05499	1.4
79.05862	0.3
81.03392	0.8
81.06608	0.3
81.07044	3.7
83.01332	0.4
83.08590	0.6
91.05453	1.1
93.07024	1.1
95.04954	0.4
95.08601	2.2
97.06485	0.3
97.10145	0.4
97.69479	0.3
99.63200	0.2
105.07003	0.4
107.08595	1.8
109.02843	1.0
109.06503	3.5
109.10155	2.4
119.04930	0.6
121.10091	1.4
123.11691	12.1
127.03896	2.3
128.06113	0.2
133.10077	0.4
135.08012	0.2
135.11661	2.4
137.05966	6.6
139.03943	0.3
149.13222	0.6
151.07503	0.8
153.05428	1.6
162.85204	0.3
163.07585	0.5
165.05457	100.0
166.05811	1.7
167.07018	1.2
177.05457	0.3
179.07027	1.1
193.08476	0.3
205.15785	0.2
217.08675	0.3
247.24182	0.7
265.25281	0.5
269.15384	0.9
287.16385	61.3
288.16696	2.2
345.33365	0.3
357.20483	1.4
357.24313	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.2633
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.1
53.75892	2.7
55.01869	3.4
55.05507	48.7
57.03423	6.5
57.07086	2.7
58.99570	10.7
62.64706	2.3
67.05501	65.5
68.05814	2.6
69.03410	10.4
69.07056	31.6
69.62263	22.0
70.06561	4.4
71.04980	6.7
72.08132	6.5
76.02216	47.3
76.03970	2.9
79.05490	25.0
81.03397	15.6
81.07047	87.6
83.04970	7.6
83.08604	10.6
84.04497	16.4
84.08148	4.9
85.02888	4.5
85.06529	8.4
86.09692	7.1
91.05434	18.9
93.07038	38.5
95.04957	10.4
95.08596	100.0
95.09206	5.5
96.08888	3.5
97.06528	8.4
97.10157	76.6
99.04460	4.8
99.08098	2.7
102.05558	2.5
103.05459	3.7
105.07027	26.4
107.04937	3.3
107.08570	30.2
109.02867	6.9
109.06502	8.7
109.10146	44.1
111.04459	2.8
111.08037	4.8
116.01673	15.3
116.34271	2.3
117.06992	6.2
119.05013	3.2
119.08564	28.9
121.06496	5.5
121.10143	29.2
123.08058	7.1
123.11700	17.0
125.09626	15.4
127.03887	4.0
130.05006	4.4
131.04910	4.9
131.08557	7.0
131.98045	2.1
133.06505	5.0
133.10103	13.6
135.08076	4.8
135.11691	14.1
137.05956	26.9
137.09621	6.5
137.13322	4.1
139.11165	10.8
142.07808	2.4
143.08490	4.3
143.10652	29.7
144.01138	6.5
145.06380	2.9
145.10120	6.9
147.04485	3.2
147.11668	14.6
149.05891	3.4
149.09599	4.3
149.13249	13.7
151.03917	6.5
151.07520	3.0
151.11165	5.1
151.14803	29.3
157.10104	3.8
157.12292	4.7
159.11671	9.2
161.05957	4.1
161.13229	12.2
162.02193	34.7
163.14806	2.7
165.05513	3.6
165.09137	4.8
165.12787	3.0
167.06989	7.4
171.10190	3.8
172.03857	3.5
173.13243	4.4
175.07555	6.1
177.05493	5.3
177.12726	4.8
178.07727	3.5
179.04854	39.7
179.14304	19.5
180.14610	2.7
185.13200	3.0
187.14815	4.4
189.06956	2.6
189.11211	7.0
195.08086	4.2
195.13754	5.3
203.07027	7.0
204.06483	4.7
209.15276	2.6
215.06956	3.4
219.08044	5.9
233.05914	3.4
234.06828	3.0
236.08438	2.8
240.04108	2.3
247.07591	6.5
259.11145	2.4
263.07071	3.0
264.07635	3.1
265.08545	2.7
267.21420	2.6
277.08643	2.7
279.10175	4.9
291.23187	3.5
297.11014	4.1
303.23172	11.1
307.09674	7.8
321.24188	18.7
325.10721	7.8
327.12262	5.8
339.12433	3.8
339.17529	10.5
339.25345	14.5
357.13425	20.5
357.18567	5.1
357.27789	2.6
358.13397	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	357.2057
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10784	0.4
55.01871	0.7
55.05492	0.7
57.07073	0.5
61.74483	0.5
63.62074	0.5
65.03928	0.5
67.05481	1.2
69.03397	0.5
69.07055	0.9
70.68487	0.9
70.68827	1.0
79.05481	1.2
81.03402	1.0
81.07054	4.1
83.01324	0.6
91.05467	1.6
93.07010	1.2
95.04949	0.7
95.08595	1.1
98.20731	0.4
104.99162	0.5
105.07020	1.1
107.08578	1.8
108.34384	0.5
109.02854	1.4
109.06508	6.1
109.10130	1.6
123.11700	11.8
127.03867	1.7
135.11684	1.2
137.05983	7.6
147.04388	0.7
151.07571	0.7
153.05458	2.1
153.71410	0.5
159.53696	0.5
163.07582	0.9
165.05466	100.0
166.05795	1.8
167.06990	1.3
179.07028	2.8
205.08583	0.8
207.10159	0.9
217.08559	0.6
231.10149	1.5
235.09520	0.6
245.11700	0.6
269.15421	0.9
287.16406	46.5
288.16800	1.6
332.00366	0.5
354.58426	0.5
357.20517	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.2057
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.2
55.01879	0.3
55.05500	0.3
57.03437	0.1
57.07061	0.3
65.03941	0.2
67.05504	0.5
69.03423	0.2
69.07054	0.7
70.93737	0.2
70.94058	0.1
71.04971	0.5
77.03945	0.1
79.05488	0.7
81.03405	0.4
81.07047	2.7
83.01337	0.4
83.08600	0.1
88.36321	0.1
91.05453	0.6
93.07036	1.4
95.04943	0.3
95.08582	0.9
97.06515	0.1
97.10150	0.1
105.07014	0.5
107.08590	1.1
109.02886	0.7
109.06508	2.4
109.10146	1.1
111.04416	0.1
119.04947	0.3
119.08586	0.3
121.10133	0.5
123.04388	0.2
123.11692	14.2
124.12045	0.2
127.03881	1.3
131.08514	0.1
133.10112	0.3
135.08020	0.1
135.11676	1.5
137.05966	3.7
137.09592	0.2
139.03877	0.3
143.08524	0.1
145.10130	0.2
147.04414	0.1
147.11662	0.3
149.13217	0.2
151.07552	0.5
151.11215	0.1
153.05461	2.0
157.10081	0.1
159.11676	0.1
163.07571	0.6
165.05460	100.0
166.05783	1.7
167.07033	1.3
175.07582	0.2
177.05446	0.3
177.09143	0.1
179.07031	1.2
183.06569	0.3
189.09145	0.1
191.07016	0.3
191.10616	0.1
193.08583	0.2
193.15881	0.2
195.10123	0.4
199.11185	0.1
203.06992	0.4
203.10693	0.1
205.08572	0.8
207.10155	2.4
207.11954	0.2
208.10405	0.1
213.09064	0.2
217.08594	0.3
219.10156	0.2
227.10638	0.4
231.10205	0.8
235.09599	0.2
245.11684	0.8
259.16867	0.1
269.15338	1.1
271.13281	0.3
277.14304	0.2
287.16388	38.0
288.16699	1.4
351.53314	0.1
357.20621	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1835
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	3.1
55.01863	5.1
55.05506	27.4
55.52427	2.0
57.03426	7.9
57.07064	4.8
58.99582	16.6
59.04993	2.0
67.05497	70.4
67.05848	4.1
67.54752	1.6
69.03430	7.9
69.07054	16.9
70.06581	5.5
70.36982	5.2
71.04971	4.1
72.08150	5.6
76.02219	77.0
76.03986	4.5
79.05485	25.2
81.03408	6.9
81.07050	50.0
83.04969	5.5
83.08619	9.1
84.04469	2.6
84.08118	3.5
85.02891	4.1
85.06544	3.4
86.99039	4.7
88.02228	2.0
91.05461	19.5
93.07030	28.2
95.04961	9.9
95.08596	100.0
97.06542	3.7
97.10172	3.0
98.09670	2.8
99.08082	2.0
103.05472	3.3
105.07019	22.0
107.04952	5.0
107.08586	13.5
108.08102	3.3
109.02869	4.5
109.06496	8.1
109.10149	66.3
111.04472	2.2
111.08074	4.2
113.04231	3.3
116.01666	31.5
117.07011	3.2
119.08566	19.6
121.06470	4.2
121.10117	17.0
122.03653	3.0
123.08053	9.7
123.11697	3.5
125.05954	2.3
127.03928	4.4
128.39481	1.9
129.07047	2.7
130.05022	3.4
130.06836	4.1
130.08630	2.7
131.08578	2.9
133.06493	3.0
133.10121	11.2
134.05949	8.8
134.09644	7.2
135.08005	2.7
135.11696	8.9
137.05946	23.6
137.09612	7.7
141.06981	1.9
143.02763	2.7
143.04910	2.6
144.01144	16.5
145.06424	3.0
147.04391	2.6
147.11778	2.6
149.05971	4.1
149.13222	3.9
150.09135	3.2
151.03903	5.1
151.14799	43.3
152.07059	9.7
153.05475	2.6
161.05977	3.8
161.09605	2.7
161.13225	13.0
162.02188	57.5
165.05431	3.5
165.09082	3.6
167.07033	6.9
176.14365	5.2
177.05478	3.4
177.09050	2.1
177.12561	2.8
177.15115	6.4
178.15919	4.5
179.04843	78.3
179.14290	47.0
189.03331	1.9
191.06961	2.1
191.08528	2.8
195.13780	2.6
203.07019	6.4
204.06531	5.1
215.07036	2.6
216.06841	2.8
219.07983	3.5
222.06685	1.8
233.09576	3.4
236.08269	4.2
237.09146	2.0
247.07465	4.1
249.08946	2.7
259.11145	4.4
263.06934	2.7
264.07718	4.2
265.08682	4.1
269.07892	2.2
277.08661	2.8
293.07968	2.9
295.09436	2.5
297.11157	4.3
307.09656	7.9
313.15948	4.5
321.10995	3.1
325.10727	6.5
327.12122	4.1
339.12634	3.8
339.17358	21.7
357.13379	18.4
357.18384	15.9
371.85376	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1839
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.3
53.90543	1.8
55.01867	3.7
55.05501	18.6
57.03426	4.5
57.07061	5.0
58.99576	23.3
65.03938	2.8
67.05499	70.6
69.03425	5.7
69.07064	17.2
69.92554	5.8
69.92973	5.6
71.04991	4.8
72.08144	4.5
73.01122	1.9
76.02220	91.1
76.03990	4.4
78.76591	1.8
79.05492	21.4
79.56168	1.4
81.03407	9.5
81.07047	64.0
83.04959	4.7
83.08608	8.1
84.04497	4.1
84.08136	3.8
85.01100	1.7
85.06510	3.5
86.09689	2.1
86.99041	6.0
88.02237	4.0
91.05450	19.6
93.07032	27.8
95.04956	10.6
95.08596	100.0
97.02887	2.6
97.06524	3.8
97.10141	5.7
99.04475	2.2
100.56646	1.6
103.05486	2.0
104.59684	1.5
105.07018	20.0
107.04956	3.1
107.08596	13.2
109.02849	5.1
109.06495	8.6
109.10140	55.6
109.10881	3.3
112.03918	1.6
112.76810	1.5
113.04235	1.8
115.05437	2.2
116.01668	38.7
116.02451	3.5
117.06982	4.2
119.08580	20.9
121.06483	2.1
121.10133	13.7
123.04393	2.4
123.08096	8.5
123.11723	1.7
129.06960	1.9
130.06793	2.5
130.08641	3.1
131.08540	4.5
133.06468	2.0
133.10155	9.1
135.08046	2.0
135.11673	6.4
137.05965	19.9
137.09607	5.3
137.13222	2.0
139.11086	1.8
144.01114	17.7
145.10109	2.7
147.04483	1.8
147.11665	2.8
149.09647	2.4
149.13300	3.3
151.03920	4.2
151.14798	37.3
153.05496	2.0
157.10080	2.6
159.11696	5.2
161.05923	3.7
161.13286	16.2
162.02182	63.9
165.05554	2.1
165.09068	2.1
165.12675	1.6
167.07060	3.9
172.04024	1.9
174.29308	1.8
175.07480	3.0
176.14343	4.3
177.05453	4.5
177.12764	3.5
177.15120	4.0
178.15805	3.1
179.04836	87.1
179.14291	40.0
195.13768	1.9
203.07074	3.1
204.06529	3.3
215.06895	2.1
219.08113	2.8
234.06709	2.5
235.07362	1.8
247.07480	3.9
260.40961	1.5
261.09308	2.2
265.08636	1.9
277.08548	1.9
281.08087	2.0
297.11005	2.4
303.23267	1.7
307.09659	4.5
309.11337	2.9
313.10818	1.7
325.10706	3.1
327.12250	3.6
339.12189	1.8
339.13083	2.1
339.17355	18.6
357.13718	13.5
357.18460	16.3
358.13690	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1651
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03918	0.6
56.05011	1.3
56.96535	1.0
57.03426	0.9
58.24046	0.5
59.98846	0.7
60.04488	1.1
61.02884	1.9
62.06079	5.7
69.03419	6.1
70.06583	13.3
71.22834	1.4
72.04474	2.5
72.08144	5.1
73.02897	1.3
73.04738	0.6
76.12816	0.7
79.05441	2.0
81.03380	2.8
82.04151	1.0
84.04494	4.6
84.07666	1.0
84.08134	15.7
85.02898	7.8
86.09685	3.5
86.54531	0.6
87.04426	0.8
89.07097	0.8
91.05824	3.2
93.05444	0.8
97.02883	4.5
97.48500	0.6
98.06033	0.8
99.04423	0.8
102.05460	0.6
104.02312	0.5
105.07021	0.8
105.24727	0.6
106.05887	0.9
106.06543	11.5
106.67864	0.6
107.04918	2.3
109.02843	1.6
110.06056	3.2
110.07143	2.9
116.07049	1.3
116.98540	0.8
117.05752	3.4
118.06490	0.8
119.04910	0.8
119.07252	1.1
123.04375	0.7
127.03870	2.2
127.47561	0.8
129.09290	0.9
129.10208	11.0
130.04974	1.1
130.06467	0.9
130.08597	3.3
132.06804	7.8
132.08051	14.6
133.07613	5.5
134.09639	0.7
136.06268	0.8
137.05956	3.0
144.99962	0.7
147.04367	1.1
147.07620	0.8
147.11221	2.8
150.09129	4.8
155.08220	0.8
155.11673	0.6
159.09163	4.8
160.07516	2.6
164.06963	0.7
177.05409	1.5
177.10210	20.4
178.08568	1.1
183.11258	2.5
183.15010	1.4
193.03232	1.1
195.11269	100.0
196.11615	2.6
211.14470	0.9
236.01935	0.6
244.16449	1.0
248.98906	0.8
277.08096	0.6
287.00842	1.0
357.07175	1.6
357.12827	2.2
357.16595	58.7
357.21234	7.2
357.25342	1.6
358.08832	0.8
358.16794	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1326
Annotation	Vitedoin A
Peak:m/z	Relative Intensity
54.23638	1.8
55.01864	20.9
65.03920	4.8
70.06565	5.0
70.35971	8.2
79.05479	3.8
81.07030	5.0
82.34670	1.7
86.09676	2.5
89.03914	2.1
90.97989	1.8
91.05460	12.5
93.07027	2.1
94.04156	4.3
95.04930	1.9
99.53303	1.6
103.05458	9.0
105.07002	7.4
107.04928	6.6
109.06508	2.6
111.04418	8.3
115.05433	11.1
117.03392	2.2
117.07011	3.5
119.04915	7.9
121.06478	4.3
122.03620	11.9
125.05966	5.5
131.04895	8.1
133.06503	3.7
135.04398	2.8
137.05959	100.0
143.04922	8.6
144.05684	3.1
145.02785	3.7
145.06470	3.3
146.03598	5.4
147.04388	9.1
147.08009	3.0
149.05989	9.6
151.03857	7.6
151.07521	2.4
153.05478	9.6
153.06767	1.7
155.04852	8.7
157.06604	1.8
159.04442	2.5
159.08113	1.9
160.05188	4.3
161.05956	16.9
162.06726	3.6
165.05489	13.3
165.06859	3.5
171.04402	6.5
172.05171	10.4
173.05948	5.7
175.07550	13.9
177.05446	30.2
177.06956	3.7
178.07703	3.1
179.06996	4.8
179.08513	4.0
183.04413	8.7
185.05931	15.4
187.07477	7.3
188.04594	3.5
189.05418	2.8
189.06931	6.9
190.07761	8.9
191.07011	4.0
191.08513	8.5
194.07208	2.1
195.07967	2.3
200.04648	7.2
201.05394	3.9
202.07813	3.0
203.07016	44.7
203.08862	2.6
205.06468	5.8
206.07188	6.3
207.08113	11.7
209.28519	1.9
215.07010	36.4
217.06497	6.2
218.07274	12.7
219.08034	17.3
221.05931	5.6
221.09421	2.6
222.06702	2.4
223.07504	4.0
225.08817	1.7
229.06387	3.6
233.05821	2.6
233.18437	2.0
234.06833	11.8
235.07497	12.8
236.08218	6.8
237.09232	3.0
246.06796	9.8
247.07510	17.0
248.08069	3.1
249.05397	4.0
249.09033	14.1
251.06966	4.9
251.10655	5.4
252.07890	2.2
253.08501	2.9
257.05963	3.3
261.09015	10.7
262.06128	4.5
263.06958	10.1
264.07788	12.0
265.08609	9.4
267.10144	8.3
274.06168	6.5
275.07050	6.6
277.08542	26.9
278.09119	5.0
279.06677	3.5
279.10086	7.5
281.08072	2.2
283.09491	2.9
289.08548	15.2
290.09375	2.8
291.06497	3.2
292.07166	2.9
293.08063	3.9
294.08820	9.6
295.09619	8.1
296.10196	2.8
306.08868	5.2
307.09604	34.9
309.07635	3.2
309.11124	25.7
321.11166	19.8
325.10614	7.4
327.12219	30.6
339.12073	14.8
347.84958	1.9
357.13321	46.9
357.77570	2.0
358.13644	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	357.1329
Annotation	Vitedoin A
Peak:m/z	Relative Intensity
55.01867	28.9
65.03934	3.7
65.25751	1.7
66.04704	3.1
67.96696	1.7
70.04214	8.5
70.04638	3.1
71.29768	2.1
79.05488	5.2
81.07041	3.4
87.01878	2.1
87.87937	1.9
91.05471	8.0
93.03384	3.1
94.04176	7.8
95.04946	3.6
98.20737	2.7
102.04659	1.9
102.50859	2.3
103.05452	9.1
105.07023	4.6
107.04933	2.9
109.06506	6.1
111.04440	9.1
115.05452	11.4
117.03370	2.5
121.06474	3.8
122.03617	21.7
125.05943	3.1
130.04124	2.7
131.04926	8.7
133.06497	4.0
135.04433	1.9
137.05965	100.0
143.04906	6.6
144.05632	2.6
145.02861	5.0
146.03592	11.7
147.04420	6.5
149.06013	4.7
151.03947	4.5
153.05458	4.7
155.04872	5.4
159.08066	3.4
160.05185	4.8
161.05974	31.9
162.06743	5.9
163.07507	2.5
165.05476	45.2
165.06963	6.2
165.53651	1.8
171.04425	2.4
172.05141	4.4
175.07533	6.5
177.05493	14.9
177.06877	3.2
178.07777	4.4
179.08548	6.1
179.22299	2.0
181.06528	2.0
183.04384	3.8
187.07516	6.2
189.06975	16.8
190.07762	15.7
191.08531	23.9
193.06471	2.6
194.07172	3.0
195.08127	2.8
201.06960	3.2
202.07744	5.1
203.07011	8.9
203.08601	5.1
205.06494	6.7
206.07230	4.7
207.08006	17.9
208.08806	7.4
211.07411	2.2
215.06934	10.4
215.08745	2.3
217.06404	7.3
218.07275	34.0
219.08032	41.1
220.08821	6.0
221.05974	5.4
221.09416	2.0
222.06677	2.9
223.07448	2.4
229.06384	11.7
230.07301	2.7
231.07907	4.1
232.93178	1.9
233.06001	4.1
233.09570	3.3
234.06685	16.1
235.07483	23.4
236.08337	13.6
237.05309	3.1
237.08989	4.0
245.05917	5.3
246.06754	29.1
247.07509	38.0
247.09813	3.5
248.08208	8.6
249.09058	12.1
250.06100	2.4
251.07047	8.5
251.10751	5.1
253.08432	2.4
257.06018	7.3
258.06696	6.4
259.07574	3.9
261.09085	38.4
262.06213	6.0
262.09552	2.8
263.07050	23.2
264.07761	23.6
265.08585	7.0
267.10071	4.7
268.07428	2.4
269.08060	3.5
274.06274	18.9
275.06992	17.5
276.07703	4.4
277.08585	27.4
278.09247	11.8
279.07080	2.8
279.10172	16.8
280.07397	2.7
289.08554	50.2
290.09192	10.0
291.06488	7.4
292.07254	5.6
293.08023	5.7
293.11310	2.6
294.08850	8.2
295.09476	9.3
305.08090	2.4
306.08884	14.2
307.09607	98.4
308.10059	6.0
309.07813	3.8
309.11166	21.4
311.12695	2.6
321.11182	67.1
322.11609	3.7
324.09915	4.8
327.12173	21.2
339.12247	38.2
340.12720	2.6
357.13519	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.0576
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06578	15.1
71.41392	7.1
72.08163	3.0
84.08119	10.0
104.89825	3.3
109.68690	3.0
113.26022	3.1
166.67073	3.0
191.77364	2.9
269.75854	3.0
339.12051	3.5
357.05811	100.0
357.11359	9.6
357.24982	14.3
358.06213	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	356.3518
Annotation	Eicosanoyl-EA
Peak:m/z	Relative Intensity
52.75269	0.3
53.03937	0.5
55.05507	8.9
57.07062	1.5
58.06576	1.0
62.06081	0.4
65.76234	0.3
67.05487	0.6
68.05029	0.3
69.07060	7.8
70.06584	12.5
70.99821	0.6
71.00183	0.4
71.08629	0.6
74.06086	0.4
81.07047	0.8
83.08605	3.8
88.07619	16.9
88.40141	0.3
92.72136	0.3
95.08578	0.5
96.94536	0.2
97.10168	1.3
98.20736	0.3
102.09165	3.8
106.08653	8.4
118.91104	0.3
138.66801	0.3
151.35368	0.3
158.56392	0.3
191.02254	0.3
203.52544	0.3
294.31549	0.4
312.32516	0.8
338.34146	6.1
356.35199	100.0
357.26123	0.9
357.35529	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	356.3156
Annotation	Unknow
Peak:m/z	Relative Intensity
53.19445	0.5
55.05507	10.1
57.05809	1.2
57.07072	6.8
67.05501	2.4
69.07072	2.4
69.51133	2.2
69.51572	2.4
71.08614	4.1
72.08148	100.0
73.08494	1.4
79.05489	1.1
81.07047	3.7
81.42015	0.5
82.07357	0.7
83.08616	2.3
85.10165	2.1
93.07050	1.4
95.08602	5.0
97.10127	1.0
98.20695	0.7
103.13043	0.5
109.10168	1.9
118.08647	43.2
119.09075	0.5
121.10155	1.8
135.11725	1.1
209.69025	0.5
247.24222	1.2
310.31055	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.2789
Annotation	Unknow
Peak:m/z	Relative Intensity
54.68141	3.9
55.01855	7.8
55.05509	59.6
55.39703	3.5
59.32438	3.8
67.05154	4.7
67.05488	23.5
69.03442	4.4
69.07056	24.1
70.79085	4.9
70.79437	12.1
79.05485	40.6
81.07040	31.3
83.04958	9.1
83.08614	31.3
91.05467	13.4
93.07045	26.4
95.08606	14.3
97.06489	6.0
97.10162	79.9
97.10732	7.7
104.45924	4.1
105.07024	17.2
107.08587	98.8
107.09322	5.8
109.10155	9.1
111.08032	4.1
117.07008	7.5
118.99334	3.6
119.08569	11.8
121.10120	6.2
125.09634	74.6
125.31928	4.2
126.09948	4.3
131.08562	5.6
133.10129	10.1
135.08055	27.7
135.11710	6.4
143.10620	4.5
145.10146	11.9
147.11682	9.1
153.09122	23.6
159.11719	7.1
161.13237	4.9
171.10175	6.1
171.11575	4.7
171.13780	8.4
181.12189	5.0
217.14348	100.0
235.66902	4.2
239.17903	8.0
240.89053	4.0
257.19022	14.8
275.20093	48.8
303.23212	9.3
321.24161	7.9
356.34985	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	356.2791
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14422	3.4
53.03943	5.6
55.01843	5.1
55.05509	23.5
57.07059	7.9
59.05008	3.2
65.03912	2.9
66.27866	2.9
66.39897	3.7
67.05497	39.4
69.07058	27.5
69.44274	41.4
69.44585	3.6
71.04980	28.3
71.84441	3.4
72.08138	4.3
76.82298	3.6
79.05488	42.1
81.03405	4.1
81.07041	100.0
83.04976	5.0
83.08605	23.0
87.04441	5.5
91.05454	23.3
93.07043	34.6
95.04958	14.4
95.08598	37.3
97.06541	7.3
97.10136	6.3
99.08062	5.5
105.07023	28.8
107.04916	12.7
107.08585	25.8
109.06490	33.3
109.10148	17.2
111.04433	5.8
111.08080	5.1
111.60470	4.2
117.06984	7.5
119.08541	18.5
121.06492	6.7
121.10129	25.1
123.08046	9.7
123.11702	8.6
125.09612	5.1
129.06944	4.5
131.08543	15.5
133.10143	20.2
135.11639	14.3
137.09677	4.4
145.10103	10.8
147.11658	17.0
149.09583	9.8
149.13219	9.2
151.11166	5.8
155.08554	4.4
159.11650	7.2
163.11148	13.6
163.14693	4.4
165.12695	3.5
173.13266	5.2
177.12633	5.0
193.12247	3.7
229.19501	5.3
247.20535	7.0
247.24152	13.5
257.18912	11.5
265.25266	10.2
275.20050	90.5
276.20157	4.0
289.21713	3.7
307.22647	57.2
307.26102	4.1
308.23056	5.7
321.24396	5.6
332.59100	4.1
339.28802	4.4
356.35114	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	356.2792
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43181	0.8
55.01856	1.1
55.05514	4.8
57.03411	1.7
57.07069	5.7
62.06084	100.0
65.03955	0.8
67.05496	9.3
69.03397	1.2
69.07049	3.7
70.06583	1.2
70.79097	2.4
71.04994	0.8
72.08137	1.0
77.32449	0.9
79.05488	6.5
81.03414	2.8
81.07050	10.6
83.04964	3.0
83.08614	2.4
85.10178	11.9
91.05457	6.0
91.77268	0.8
93.07047	7.2
95.04967	4.8
95.08598	7.4
97.06529	1.6
97.10149	1.1
98.06029	1.8
105.07034	5.9
107.04948	1.3
107.08582	6.2
109.06531	1.7
109.10162	5.9
113.09646	8.2
117.06982	1.1
119.08570	3.5
121.06413	0.8
121.10118	3.7
123.08132	0.9
124.11230	2.2
125.05988	2.6
125.09631	0.9
126.33827	0.9
131.08554	2.9
133.10104	2.9
142.45079	0.8
143.08624	1.1
145.10095	1.4
147.11674	4.2
149.09596	3.1
151.11154	1.5
159.11694	1.5
165.12749	11.3
179.14314	1.2
208.16902	5.8
223.81987	0.9
226.17975	10.6
259.20465	2.1
276.23322	1.1
277.21625	8.9
295.22647	8.3
320.25830	46.8
321.24200	3.0
338.26859	44.0
339.27249	0.8
356.22736	1.5
356.26907	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.2791
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59887	2.3
55.01860	7.1
55.05503	12.8
57.07067	4.7
62.06086	100.0
67.05482	11.9
69.07057	7.0
69.69838	16.9
71.08617	4.8
79.05498	7.9
81.03397	3.6
81.07047	17.0
83.08611	3.9
85.10175	5.5
91.05477	8.8
93.07034	9.2
95.04986	4.3
95.08595	8.9
98.21240	7.8
105.07013	8.3
107.08589	4.8
109.02887	2.4
111.08061	5.9
113.09658	7.0
119.08577	3.5
121.10171	3.3
123.68035	2.4
131.08620	3.0
133.10127	4.4
147.08145	2.1
147.11714	5.8
151.11154	3.1
159.11694	2.6
165.12721	6.3
188.81845	2.6
208.17047	3.6
226.17992	15.9
240.19588	2.8
259.20480	3.3
267.10294	3.6
277.21552	7.2
320.25842	87.6
321.26614	3.6
338.26877	34.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.2791
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53999	1.3
55.01870	3.2
55.05503	6.7
56.15078	1.3
57.03428	2.1
57.07069	11.3
62.06085	100.0
67.05501	14.2
69.03398	1.8
69.07051	6.0
70.06588	1.3
70.49378	5.4
71.04996	1.9
79.05498	13.1
79.05901	2.4
81.03392	2.6
81.07043	15.3
83.04963	2.4
83.08602	3.7
84.08138	2.3
85.06488	2.1
85.10167	17.5
88.24436	1.4
90.69746	1.5
91.05440	10.1
93.07034	9.9
95.04975	3.9
95.08595	12.0
97.06520	2.8
97.15090	1.4
98.06075	4.1
105.07026	10.2
107.04937	3.2
107.08600	6.4
109.06516	1.8
109.10153	4.1
113.09640	12.5
119.08586	5.7
121.06512	2.2
121.10152	3.3
123.08029	1.5
123.11623	1.5
128.07066	1.8
129.07050	3.6
131.08554	3.9
133.10101	4.3
135.04372	1.8
137.09602	2.3
142.91663	1.3
145.06419	2.2
145.10161	2.7
147.11665	4.8
149.09589	6.1
154.11951	1.4
157.10107	2.8
161.13200	1.7
165.12730	9.3
179.14310	1.8
185.13377	1.5
194.15387	2.2
208.16940	12.9
212.16473	4.2
217.19504	1.9
226.18008	23.1
241.19501	1.6
259.13205	1.6
259.20596	2.9
277.21585	5.3
320.25812	81.5
321.26419	3.9
333.19022	1.8
338.26831	29.9
339.19647	3.0
356.27371	1.8
357.20557	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	355.2837
Annotation	1-Monolinolein
Peak:m/z	Relative Intensity
53.03914	3.8
55.05505	40.6
57.03418	7.8
57.07079	16.1
67.05500	76.3
69.03405	5.6
69.07066	46.8
69.22651	3.1
70.06579	11.0
71.04996	3.2
71.08607	5.3
72.80717	3.0
73.04732	3.7
79.05493	20.1
80.33801	3.6
81.03429	5.3
81.07046	100.0
83.08608	29.1
85.02873	4.3
85.10171	8.6
88.07624	11.9
89.03827	3.1
91.05466	14.3
91.05901	4.7
93.07027	36.3
95.08595	87.2
97.02863	5.9
97.06502	11.8
97.10162	24.5
98.21492	10.5
99.04416	2.9
99.08103	3.7
105.07028	17.5
106.08647	3.6
107.08591	25.9
109.02869	5.3
109.10150	44.8
111.08040	9.2
111.11697	10.3
113.09643	5.8
119.08589	16.9
121.10126	33.8
123.11703	27.5
125.13231	4.2
127.03889	6.8
127.11262	3.7
133.10112	17.4
135.11658	16.5
137.09592	5.6
137.13254	9.3
139.11237	3.8
146.11482	3.8
147.11690	11.1
149.13167	16.0
151.14777	8.4
155.14302	5.4
161.13261	15.2
163.14804	15.4
165.16319	7.7
175.14859	12.0
179.17947	5.3
187.06017	11.3
189.16397	8.3
205.07153	3.6
211.88205	3.3
245.22624	55.4
263.23706	43.4
268.97852	3.6
285.00906	4.4
337.27383	24.8
338.33942	6.5
355.28494	8.8
356.35181	62.4
369.64041	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	356.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	5.2
55.01853	11.2
61.02908	9.1
67.05486	5.6
69.03423	33.6
69.30627	5.0
69.53921	23.6
69.54343	18.7
69.66465	4.8
70.06586	39.7
72.08130	14.3
73.02905	9.1
73.04751	11.3
73.06544	13.9
79.05460	7.8
81.03412	31.4
84.04481	9.0
84.08128	20.5
85.02902	100.0
86.09706	9.6
87.00818	48.4
88.76329	4.7
90.92892	6.8
91.05843	39.1
93.07044	8.3
97.02876	37.0
99.04436	11.8
105.01867	87.7
105.57661	5.9
109.02863	39.0
110.07150	8.8
116.07043	6.4
119.04951	16.3
119.08571	6.8
127.03909	66.9
129.10236	9.5
131.04883	7.1
136.07516	7.3
137.05949	23.6
145.04987	32.1
147.04407	35.1
148.07486	12.8
159.02864	9.7
163.03868	10.9
164.04376	5.7
165.05476	6.8
167.03487	5.7
176.07047	7.5
177.05426	6.8
178.08530	6.1
181.73613	5.2
189.03964	7.2
194.08141	7.8
195.02927	14.0
231.05026	20.8
269.97983	6.3
282.69745	5.0
286.01080	11.7
356.07220	11.6
356.12820	8.3
357.06647	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	356.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15308	0.3
55.01848	0.4
55.05502	1.0
55.55235	0.3
56.04990	0.3
56.13588	0.2
57.03426	0.5
59.04997	0.4
61.02921	0.7
62.06078	0.8
65.03951	1.8
65.94517	0.3
67.05492	1.4
69.03427	0.4
69.07055	0.7
70.06583	0.5
70.17570	0.5
70.17988	1.1
71.04987	4.1
71.08617	0.7
72.08158	0.4
79.05481	1.1
81.07053	3.4
82.07417	0.3
83.08599	0.3
84.04489	0.3
84.08152	0.7
91.05473	100.0
92.05787	1.5
93.07037	1.2
95.04964	0.4
95.08604	1.2
97.06544	0.5
98.06026	0.4
98.20842	0.4
99.08101	0.5
102.26040	0.3
105.07037	0.7
106.07321	0.3
107.08584	0.7
109.10143	0.9
113.09608	1.8
117.07009	0.3
119.08552	0.5
121.10152	0.4
129.10210	0.6
130.05011	0.3
133.10147	0.3
135.11652	0.4
136.06223	0.7
137.05946	1.0
145.06392	0.4
145.10170	0.4
148.06163	3.4
151.11189	0.5
155.12994	0.5
172.13356	0.3
179.14240	0.4
189.03371	0.5
194.15463	0.3
226.10863	26.1
227.11223	1.0
253.79962	0.3
324.18182	16.1
325.18576	0.8
327.11935	0.3
338.19897	1.4
338.26923	2.4
342.01721	0.3
356.20782	52.4
356.27219	4.9
357.13589	0.4
357.21356	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	355.2838
Annotation	2-Linoleoyl Glycerol
Peak:m/z	Relative Intensity
55.05510	44.6
57.03422	7.9
57.07064	12.6
60.70096	5.2
67.05498	80.5
69.07063	52.1
70.44984	24.5
71.08635	7.4
73.20355	5.8
79.05493	32.9
81.06600	8.8
81.07049	100.0
83.08609	31.5
84.72034	5.8
85.10190	6.1
91.05479	23.3
93.07040	30.4
95.04913	5.9
95.08598	90.7
97.06513	7.4
97.10135	12.5
105.07043	13.7
107.08595	27.5
109.10152	36.3
119.08575	16.0
121.10114	24.1
123.11681	14.6
125.58310	6.1
126.73322	6.3
133.10089	13.9
135.11659	17.2
137.13252	7.0
147.11673	11.9
149.13206	11.9
161.13242	11.6
163.14781	12.8
175.14851	16.5
189.16336	8.6
195.21240	5.7
220.25845	6.1
245.22617	41.3
263.23672	48.7
337.27151	32.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2839
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34132	2.9
55.05504	36.3
57.03423	11.8
57.06816	2.8
57.07061	16.3
62.33419	3.4
67.05496	91.5
69.07065	43.8
70.94946	11.4
71.08618	6.4
72.78525	2.9
79.05485	26.4
81.07049	100.0
83.08609	38.2
85.06622	3.1
85.10173	3.5
91.05486	15.2
93.07033	32.7
93.34396	3.5
95.08595	81.9
97.06530	16.1
97.10146	23.8
105.07022	14.9
107.08572	22.2
109.10146	40.2
111.08037	4.5
111.11723	7.8
119.08579	18.4
121.10141	31.3
123.11684	21.1
125.25021	4.0
129.05482	3.8
133.10118	17.1
135.11667	21.5
137.13281	10.0
147.11687	11.4
149.13271	11.4
151.14745	7.6
154.59151	3.4
161.13286	12.7
163.14806	16.7
165.16454	4.2
175.14810	11.6
179.17941	5.2
189.16447	5.3
245.22615	57.4
263.23657	49.4
337.27353	26.5
355.28296	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	355.2839
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01845	2.5
55.05503	38.9
57.03418	7.7
57.07070	19.8
65.03940	3.4
67.05498	79.7
69.03419	2.3
69.07063	44.9
69.95322	2.3
70.06568	5.2
70.45404	8.2
71.04978	5.0
71.08619	6.8
75.02411	2.4
79.05483	27.4
81.07049	100.0
82.07414	2.6
83.04993	4.6
83.08612	36.0
84.01082	2.2
84.70115	2.0
85.10169	3.8
88.07615	6.5
91.05401	19.2
93.07044	35.0
95.04984	2.9
95.08597	78.8
97.06507	10.0
97.10155	26.3
98.20797	2.8
99.08056	6.2
105.07019	18.3
106.08665	3.8
107.08563	27.6
109.06532	2.6
109.10140	50.7
111.08084	4.7
111.11705	8.0
113.21652	2.5
117.06995	3.3
119.08567	16.8
121.10121	31.7
123.08014	3.3
123.11678	23.3
125.09598	3.9
129.05484	2.8
129.06982	2.8
131.08493	3.0
132.48790	2.2
133.10129	24.0
135.11662	19.6
137.13216	11.6
139.11168	3.6
141.12773	3.0
143.08495	3.1
147.11649	15.1
149.13242	14.0
151.14825	5.5
153.12746	3.2
157.10165	2.5
159.11682	2.3
161.13248	13.4
163.14795	16.1
165.16397	7.1
169.10120	3.0
171.11642	3.4
175.14803	9.3
177.16422	3.9
179.17973	4.8
184.45674	2.1
187.14873	2.5
189.16391	7.9
194.70320	2.6
213.16501	3.0
219.00490	2.1
245.22627	48.8
246.23094	2.8
263.23697	47.7
268.97876	3.2
285.00909	2.5
315.44077	2.4
337.27490	22.8
338.34491	3.2
355.06796	5.3
355.25726	11.6
355.33466	2.5
356.26920	1.9
356.35193	57.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.284
Annotation	2-Linoleoyl Glycerol
Peak:m/z	Relative Intensity
53.03935	3.2
55.01868	3.4
55.05507	41.8
57.03432	9.9
57.07060	12.1
67.05502	82.9
69.07061	44.0
69.52582	2.7
70.90551	7.9
71.04998	4.4
71.08618	8.2
79.05492	25.3
81.07052	100.0
83.08610	34.1
85.06525	3.0
85.10158	3.8
88.07635	2.9
91.05428	21.9
93.07027	40.3
95.04946	3.1
95.08599	85.5
95.75256	3.1
97.06511	7.7
97.10177	24.5
99.08058	4.8
103.03907	3.1
105.07040	18.1
107.08572	29.9
109.10146	38.5
111.08075	6.1
111.11714	7.9
119.08579	22.5
119.62026	3.1
121.10143	32.9
123.11687	22.0
129.05466	3.0
133.10103	19.0
135.11647	20.0
137.13228	9.7
145.10133	3.3
147.11652	14.7
149.13202	13.9
151.14844	7.2
157.10072	4.0
161.13266	15.4
163.14842	13.8
165.16359	5.8
175.14801	16.0
177.16440	2.8
189.16351	6.2
203.17834	3.1
221.65889	3.0
245.22638	49.0
252.62277	3.7
263.23654	48.5
299.17767	3.9
333.17316	9.7
337.27402	29.4
355.24286	24.1
355.28519	9.6
355.33755	30.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2625
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60064	1.1
53.03932	2.8
55.01846	5.8
55.05276	1.2
55.05503	15.8
56.05003	1.6
57.03416	3.4
57.07068	3.3
58.06590	1.5
58.99580	8.3
61.01120	1.7
61.02912	1.3
67.05490	23.5
68.05006	3.4
69.03401	4.7
69.07060	15.4
70.02934	2.0
70.06563	2.8
71.04967	2.7
71.05686	3.2
71.08611	1.9
71.14190	1.4
72.08121	2.9
73.01106	2.3
73.04737	2.3
76.02206	3.0
76.03980	1.5
79.05479	22.5
80.05000	2.4
81.03404	7.4
81.07043	36.7
82.02948	1.6
82.06564	3.3
83.04964	5.0
83.08597	5.5
84.04488	8.8
84.08134	2.7
85.01102	4.7
85.02889	2.2
85.06493	1.9
86.00629	5.6
87.02681	5.0
88.02222	2.5
88.03986	1.3
91.05412	19.2
93.07029	35.0
94.06540	3.2
95.04969	4.5
95.08587	39.2
96.04465	2.1
96.08110	3.7
96.08883	1.6
97.02890	1.9
97.06517	4.8
97.10121	3.3
98.09657	1.9
99.04426	1.7
101.04216	3.7
101.05986	3.0
103.05418	1.4
105.06336	2.9
105.07015	57.1
106.07316	2.0
107.04913	1.6
107.08584	32.7
108.08109	19.9
108.08829	2.9
109.02862	2.9
109.06474	5.0
109.10140	15.2
110.09670	3.6
111.08057	2.9
112.03949	8.7
113.04187	3.1
115.05673	1.3
116.01663	7.5
117.06989	6.9
117.53574	1.7
119.08562	39.7
120.08069	1.8
121.10123	17.7
122.09666	4.2
123.08026	5.4
123.11697	4.4
124.07563	5.4
129.06979	4.9
130.04999	9.3
130.07724	1.7
131.08553	13.7
133.10106	24.8
134.09653	1.8
135.07980	2.5
135.11673	9.0
136.11168	3.6
137.09593	2.9
137.13193	1.7
138.09091	2.9
139.11139	1.9
140.05257	1.7
140.10667	3.0
143.02692	4.6
143.04491	2.0
143.08591	8.6
144.01118	2.1
144.09329	2.1
145.10091	24.5
147.07994	2.0
147.11670	34.5
149.09557	1.9
149.13240	46.7
151.07437	1.6
151.11104	2.1
152.10655	2.7
153.08994	2.0
154.06827	4.1
155.04443	2.7
155.08488	1.6
155.21172	1.4
156.08351	2.0
157.10080	8.3
159.11682	21.8
161.13235	88.6
162.02144	3.2
162.13606	3.3
163.14763	2.9
164.10640	2.4
164.14336	1.5
165.09143	2.1
165.12677	2.5
167.06902	1.9
169.10118	3.3
171.11646	4.8
173.09586	1.8
173.13219	6.0
175.07533	1.7
175.11125	4.5
175.14799	6.2
176.14323	5.3
177.12749	2.4
179.14307	2.6
180.08359	2.8
181.09967	2.0
182.06291	4.7
183.11589	3.0
184.97372	1.4
185.13249	5.2
187.14769	4.9
189.03281	10.0
189.12682	2.4
189.16264	1.5
191.10495	1.5
191.14268	1.5
192.13792	7.5
193.12248	4.7
194.15392	13.9
195.13652	1.6
196.07857	3.1
197.13232	2.3
199.14818	6.8
201.16437	2.3
204.76649	1.4
207.07959	2.2
207.13753	3.5
209.15395	3.5
210.13162	1.7
211.14909	1.4
213.03305	2.3
213.16388	5.7
215.14278	1.7
216.06895	6.2
221.15298	2.3
224.14627	8.7
225.16144	1.5
226.12669	2.7
227.17853	5.5
231.13832	1.5
234.13081	2.7
241.19434	2.4
245.15392	2.4
252.14124	10.3
253.11858	3.5
255.21004	8.4
268.97958	2.5
271.16940	1.8
283.10953	3.1
285.01028	3.1
285.08969	19.1
295.09564	3.4
295.24377	2.3
309.16077	1.7
319.23801	1.5
323.09137	2.5
327.17200	7.4
337.11987	1.7
337.15536	8.0
337.25580	6.0
355.07281	4.3
355.11911	4.9
355.16791	100.0
355.26270	54.5
356.13120	2.1
356.17053	12.7
356.26862	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	355.2477
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67236	1.0
52.81396	1.0
53.03950	1.2
55.01862	1.1
55.05499	6.0
57.03424	2.7
57.07079	2.7
59.05000	1.9
65.03936	1.9
67.05495	11.2
68.30990	0.9
68.99781	1.7
69.03423	6.9
69.07061	23.1
70.06590	11.5
70.24246	5.2
71.04978	2.2
72.08142	2.3
73.04753	1.7
74.57117	0.9
79.05485	12.8
79.89079	1.2
81.03411	2.1
81.07050	35.5
83.04980	5.0
83.08611	2.5
84.08115	1.5
85.06538	12.4
86.09660	1.4
91.05469	5.7
91.05915	1.5
93.07047	12.6
95.04971	6.3
95.08595	13.9
96.54237	1.1
97.02930	1.4
97.05944	2.0
97.06524	25.1
97.10168	1.5
97.14439	1.0
99.08068	2.9
101.06007	2.0
103.95265	0.9
105.07020	9.6
107.04944	4.6
107.08588	15.0
109.02878	1.6
109.06494	3.6
109.10143	14.1
111.08073	3.3
116.07059	1.7
117.06983	1.2
119.04961	1.6
119.08582	6.3
120.08033	0.9
121.02966	1.0
121.06502	5.2
121.10147	11.1
123.08031	1.9
123.11704	11.8
125.05988	19.0
125.09643	8.9
125.10447	1.5
129.06995	1.2
131.08543	2.2
133.06494	1.5
133.10118	5.6
135.04408	4.9
135.08012	6.5
135.11661	3.9
136.04774	1.5
137.02309	4.2
137.05997	1.7
137.09590	5.5
139.11183	9.0
140.03825	1.0
141.01776	1.3
143.07018	26.1
143.08258	1.2
143.08609	1.2
145.10106	3.7
147.04373	2.2
147.08058	2.0
147.11674	6.8
149.09602	1.9
149.13246	2.4
151.11191	3.3
153.09117	1.6
157.10114	1.3
159.11688	3.1
161.02324	2.5
161.09685	1.3
161.13283	1.9
162.02669	1.3
163.03932	4.8
163.11127	1.8
164.04233	4.3
165.01825	8.0
165.04417	3.5
165.09044	5.0
165.12738	3.0
167.07063	1.7
167.10698	1.8
169.12189	1.6
173.13287	1.7
175.03874	3.4
175.07552	5.3
175.11116	2.3
175.14825	2.4
177.09106	1.2
177.16374	5.6
179.03355	1.4
181.04993	2.1
182.05280	1.4
183.02884	3.1
183.05469	1.2
185.13284	1.1
191.03355	2.2
192.03656	2.9
193.03716	1.3
193.12238	1.7
195.17494	2.5
199.11226	1.5
201.05409	2.4
213.18434	11.7
213.20004	1.0
247.07727	1.0
283.20599	1.3
285.00931	1.5
286.04776	1.6
297.07285	4.0
298.07870	2.5
299.05441	15.7
299.08261	15.1
301.21579	4.9
309.07361	2.3
309.21741	3.8
311.05563	1.8
312.05698	1.3
313.03159	2.3
319.22729	6.0
325.06989	10.9
326.07419	5.6
327.07745	57.8
328.08179	3.6
337.06979	9.1
337.23856	7.7
338.07257	1.6
338.23441	1.0
355.07483	100.0
355.21805	5.6
356.07901	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	355.2478
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.2
55.01865	3.2
55.05515	5.6
57.03419	3.1
57.07061	1.7
61.02915	1.0
64.80191	1.0
67.05497	10.8
68.99784	1.9
69.03432	8.3
69.07065	17.3
70.06591	16.3
71.04995	2.5
71.74648	1.3
71.75011	1.7
72.08142	3.9
73.02916	0.9
73.04743	1.5
79.05489	12.8
80.05007	1.4
81.03420	2.8
81.07050	27.5
83.04951	4.8
83.08596	2.3
84.04504	1.4
84.08145	2.6
85.06542	10.2
87.04488	0.9
89.06010	3.1
91.05445	5.9
91.05833	4.2
92.05775	1.4
93.07033	13.3
95.04958	7.8
95.08598	15.8
96.05247	1.1
97.02867	1.6
97.06518	17.5
97.10163	2.9
99.04406	1.1
99.08086	2.5
103.03909	1.1
103.05437	1.8
105.07003	9.1
107.04933	4.2
107.08592	14.4
108.08076	1.9
109.02834	1.1
109.06491	3.3
109.10138	13.8
111.08075	2.8
113.06052	1.4
115.05431	2.2
116.07085	3.2
117.03387	1.0
117.06998	3.4
119.04956	2.2
119.08587	8.3
121.06481	3.7
121.10146	9.0
123.04400	1.7
123.08047	1.9
123.11687	10.0
125.05983	13.3
125.09625	8.9
127.03896	1.4
127.11166	1.3
129.06999	1.9
130.04967	1.3
131.08543	3.8
133.10136	7.7
135.04422	5.0
135.08054	6.3
135.11653	3.9
137.02299	5.7
137.06009	2.4
137.09558	5.0
139.11159	7.6
141.06914	2.2
143.07028	16.4
145.10115	3.4
147.04382	2.5
147.08029	2.5
147.11681	6.8
149.09590	2.9
149.13246	2.0
151.11163	4.0
153.09065	1.4
157.10098	2.2
159.07979	1.3
159.11623	1.5
161.02327	3.7
161.05962	1.6
161.13287	2.6
162.02647	1.1
163.03880	6.2
163.07530	2.1
164.04213	4.9
165.01857	6.4
165.04420	3.9
165.09125	5.9
165.10278	1.0
165.12737	2.8
167.07037	4.2
167.47160	1.1
169.06432	1.9
169.12285	2.6
171.11606	1.5
173.13327	1.4
175.03978	1.9
175.07544	9.7
175.11143	1.9
176.01125	1.3
177.16371	3.5
181.04961	1.9
183.02847	4.0
183.05524	1.6
185.13263	1.5
191.03346	3.0
192.03673	1.8
193.05128	1.2
193.08519	2.1
193.12215	2.1
195.17416	1.6
197.00800	1.5
199.14955	1.3
201.05400	3.5
201.09120	1.3
203.03392	1.4
213.18439	11.2
221.04427	1.4
238.17993	1.9
268.97861	1.7
283.06104	1.2
285.00891	2.4
286.04861	2.6
297.07327	6.6
298.07864	3.0
299.05392	16.6
299.08215	15.2
300.05869	2.9
300.08792	1.1
301.21533	3.4
309.07547	1.4
309.21686	3.8
311.05405	3.1
312.05450	1.4
313.03290	2.7
319.22717	4.2
323.08997	1.6
324.21811	2.3
325.07050	10.9
326.07199	5.5
327.07736	59.3
328.08081	4.7
337.07065	8.3
337.23898	7.0
338.23349	2.3
355.07452	100.0
355.21982	6.4
355.25977	1.5
356.07742	9.4
356.24460	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	355.1747
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02361	0.5
53.03714	0.6
53.03940	8.4
55.01844	1.0
55.05505	4.4
57.03428	2.9
57.03671	0.5
57.07045	0.9
59.04993	0.7
61.54566	0.5
65.03944	0.9
67.05499	14.1
69.03421	4.9
69.07063	6.8
69.40404	2.1
69.40833	2.8
71.04981	4.4
72.08151	2.2
79.05484	11.6
80.05008	1.1
81.03410	100.0
81.07048	41.8
82.03728	0.5
83.04965	3.2
83.08611	2.9
85.02898	2.2
85.06535	2.8
91.05469	18.0
93.07033	7.9
95.04957	3.7
95.08591	7.3
97.02946	0.4
97.06524	4.9
97.10186	0.6
98.21436	1.1
99.04446	8.9
99.08041	2.1
101.06064	0.6
103.05472	0.6
105.07023	23.6
107.04934	1.1
107.08589	7.1
109.02869	78.5
109.06504	3.1
109.10150	1.7
110.03183	0.7
111.04456	0.7
111.08039	0.8
113.05981	1.4
115.05427	2.2
117.07010	2.5
119.08565	17.4
121.06499	0.6
121.10137	11.2
123.04436	0.9
123.08092	1.8
123.11694	13.2
124.05152	0.5
127.03909	9.8
127.07571	1.2
129.07005	3.3
131.08562	1.8
132.05731	0.8
133.06499	1.8
133.10136	3.2
134.09648	0.6
137.09615	0.8
137.13255	1.4
141.06985	2.9
141.09088	0.6
145.06500	0.8
145.10126	1.0
147.08037	4.1
147.11673	47.3
148.12030	0.9
149.09619	1.0
157.10095	4.8
160.05267	1.3
161.05995	1.9
165.12746	24.3
167.07025	11.4
169.06473	3.4
175.07536	20.0
175.11130	7.5
183.13821	3.0
183.66920	0.5
187.07640	0.6
189.09145	0.6
191.06947	0.8
193.08598	5.7
193.10072	0.4
193.10448	0.8
193.12222	10.1
201.09154	1.5
211.13316	2.0
229.14345	16.2
241.32603	0.5
244.75737	0.5
284.18631	0.5
323.09134	0.9
337.16498	3.9
338.23364	0.7
340.85730	0.5
355.17654	29.6
355.26074	1.6
356.18079	0.8
360.57373	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2111
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	8.8
55.01868	9.0
55.05509	20.2
56.26336	2.2
57.03426	13.9
57.07069	2.9
59.04978	7.9
61.02913	4.5
65.03931	4.1
65.81944	2.4
67.05501	41.6
69.03046	3.7
69.03420	46.7
69.07063	23.1
70.06583	5.2
70.79869	7.0
71.04984	10.8
71.12897	2.1
72.08153	4.4
72.60545	2.5
73.02934	2.5
73.04742	5.0
79.05485	24.3
81.03402	19.4
81.07044	37.7
83.04973	76.5
83.08606	4.8
84.04505	3.6
84.08140	11.3
85.02895	46.2
85.06528	4.6
86.09698	6.3
87.04469	5.5
89.06017	6.3
90.23344	2.5
91.05485	17.0
91.05915	3.3
93.07028	35.2
95.01350	3.3
95.04960	57.5
95.08591	33.9
96.05242	2.4
97.02884	16.2
97.06541	13.0
99.04443	14.2
103.03960	12.7
103.05453	3.1
104.61508	2.6
105.07014	27.3
107.04974	7.1
107.08576	33.1
108.08071	2.7
109.02850	10.8
109.06496	23.4
109.10140	70.5
111.04449	6.2
111.08062	6.1
113.05992	4.2
115.03885	2.9
115.05423	3.3
117.07009	11.0
119.04946	5.2
119.08574	30.8
120.08082	3.2
121.02839	3.6
121.06499	11.1
121.10127	22.1
123.08076	12.2
123.11700	7.6
125.06010	6.9
125.09644	4.2
127.03911	21.0
127.05799	4.8
127.12359	3.2
130.04985	9.6
130.06494	2.8
131.08580	8.7
133.06491	7.8
133.10110	23.3
135.08051	28.6
135.11662	22.5
136.73180	2.5
137.05978	9.9
137.09601	100.0
138.09894	3.5
139.11169	4.7
143.08545	2.9
145.04930	7.2
145.06390	4.4
145.10112	11.0
147.08023	4.0
147.11688	9.9
149.05971	7.8
149.09602	6.7
149.13202	3.7
150.01382	2.5
151.07510	5.1
151.11159	5.5
152.07069	3.4
153.04068	8.0
153.09061	2.5
155.10666	8.7
157.10156	6.0
159.11688	6.2
161.09598	7.4
161.13208	4.7
163.07494	2.8
163.14777	5.3
165.09119	4.7
165.12766	4.2
165.16364	4.8
167.07002	3.0
171.11696	6.8
173.09583	3.5
173.13254	10.2
175.11183	7.7
175.14786	12.2
177.09102	4.6
179.10655	24.9
181.04897	2.9
191.03404	7.4
191.07011	3.6
191.10593	2.9
191.14322	9.4
192.13774	5.8
193.15872	44.4
199.11241	2.7
201.05469	7.7
201.09143	6.3
203.14276	3.4
209.15227	3.8
217.15837	10.8
219.02823	4.4
226.12567	16.4
235.16928	6.3
245.11678	4.6
246.09299	2.7
263.12595	4.3
268.97714	4.7
277.17938	5.9
281.08121	7.5
283.06158	3.2
283.16983	2.9
284.52753	2.7
285.00961	7.6
294.05170	16.6
297.07553	4.8
299.15045	6.9
301.18015	9.2
309.07675	4.9
319.06012	4.6
319.18875	6.1
337.07080	38.0
337.20160	5.2
355.07965	33.7
355.16928	9.3
355.21249	18.9
356.08252	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1676
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.3
55.01865	4.5
55.05510	6.4
57.03413	0.9
57.07065	1.6
57.32460	1.0
58.99578	6.4
61.01129	2.1
67.05500	13.6
68.05007	1.2
69.03410	2.7
69.07069	7.8
70.02941	1.2
70.06577	1.7
70.09895	0.9
71.04967	1.9
71.73435	1.1
72.08134	1.3
73.01144	2.1
73.04722	1.3
76.02200	1.6
79.05494	8.5
80.04990	1.9
81.03409	4.2
81.05762	0.8
81.07050	18.9
82.06572	2.1
83.04958	1.9
83.08607	2.8
84.04498	8.3
84.08118	1.4
85.01115	3.5
85.02904	1.7
85.06516	1.7
86.00643	4.8
87.02674	4.6
88.02187	2.3
88.04007	1.4
91.05381	8.4
93.06509	1.2
93.07039	16.6
94.06566	1.7
94.10629	0.8
95.04943	3.7
95.08601	16.9
96.04470	1.4
96.08100	3.5
97.06523	3.2
98.09693	1.3
99.02660	1.4
100.02213	1.1
101.04251	2.1
103.05441	1.4
105.07023	20.2
107.04955	0.8
107.08584	13.5
108.08091	3.7
109.06560	1.9
109.10136	7.7
110.09666	3.2
111.08042	1.9
112.02203	1.1
112.03940	7.7
113.04226	5.2
115.05734	1.8
116.01682	5.2
117.06964	3.3
119.08556	13.4
121.06447	1.2
121.08849	1.2
121.10144	5.9
122.09659	3.6
123.08049	3.8
123.11686	2.8
124.07567	4.5
124.11198	1.2
125.09587	1.0
128.03401	1.0
129.06975	1.9
130.05000	6.0
131.08534	5.8
133.10104	10.0
135.08034	1.3
135.11703	4.7
136.07597	2.0
136.11218	2.5
137.06004	1.8
137.09621	0.8
137.13208	1.4
138.09123	3.0
139.09946	1.0
140.05298	1.2
140.10664	2.8
143.02788	1.3
143.04514	2.5
143.08559	3.3
145.10146	7.7
146.09644	1.4
147.08090	1.1
147.10561	1.2
147.11668	13.7
148.11205	1.3
149.09607	2.6
149.13251	16.3
150.09172	1.3
151.11049	1.1
152.10666	2.0
154.06837	3.0
155.04541	2.3
156.08339	1.9
157.10109	3.7
159.11668	8.2
161.09595	1.4
161.13235	28.2
162.02182	3.4
163.14749	1.6
164.10703	2.0
164.14310	1.0
165.09094	2.5
166.15875	1.9
169.10211	1.0
170.06342	1.1
171.11678	3.1
173.13295	1.7
175.11163	1.5
175.14850	2.6
176.14320	3.4
177.12740	1.2
179.14285	1.7
182.06343	3.1
185.13264	2.9
187.14803	2.5
189.03285	4.1
189.16347	1.5
192.13849	6.4
193.12178	2.0
193.14693	1.3
194.15388	15.4
196.07996	1.9
199.14851	3.2
203.10597	1.0
205.12204	1.2
207.13788	1.9
208.11508	1.0
209.15353	1.1
210.13086	1.5
213.03319	1.5
213.16400	3.2
215.31248	0.9
216.06926	4.7
219.07060	0.9
221.09256	1.3
222.84436	0.9
224.14641	7.9
226.12544	3.0
227.17938	2.2
234.13112	3.8
235.10956	1.8
239.08221	1.1
239.10347	2.3
240.14104	1.2
252.14159	10.7
253.11906	3.8
255.21123	2.8
268.97995	1.4
283.11252	0.9
285.08984	12.5
309.16312	2.2
316.43127	0.9
323.09067	0.9
327.17358	7.4
337.15677	8.7
337.25220	1.8
355.16846	100.0
355.26190	20.7
356.17151	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.168
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86638	1.4
53.03936	3.2
55.01859	6.2
55.05496	6.7
56.05013	1.6
57.03424	2.9
58.99578	11.1
60.06640	1.6
67.05499	16.0
68.05013	3.0
69.03425	3.4
69.07071	7.9
70.02950	13.1
71.04964	2.1
71.73251	1.7
72.08147	3.6
73.01136	3.4
73.04742	3.3
76.03977	4.1
79.05479	9.8
80.05001	6.4
81.03403	9.5
81.07056	23.9
82.02917	2.3
82.06547	1.8
83.04971	2.0
83.08602	4.0
84.04501	10.0
84.08105	2.1
85.01120	8.1
86.00651	48.7
86.99038	4.0
87.02670	6.9
88.02197	3.8
91.05420	6.1
91.05827	6.1
93.07040	14.5
94.06574	4.0
95.04948	5.1
95.08613	20.7
96.08112	2.5
97.06503	6.2
97.10186	2.3
98.09618	2.1
99.02673	2.2
100.02184	5.0
101.04233	2.3
105.07001	8.8
106.06553	1.8
107.08554	7.9
108.08073	4.2
109.02855	2.0
109.06486	5.0
109.10125	1.8
110.06024	1.8
110.09702	2.4
112.02174	4.5
112.03963	4.3
112.07574	2.4
113.04202	3.6
114.00045	4.2
116.01674	26.9
117.06962	2.7
119.08569	4.8
121.10180	2.9
122.09668	5.9
123.04424	1.9
123.08091	2.8
124.07602	3.6
127.03912	1.8
127.05769	10.0
128.05286	3.0
129.07007	2.0
130.04976	12.1
130.06877	2.8
131.08583	4.0
132.01122	3.8
133.10086	3.6
135.08037	1.8
135.11697	1.9
136.11154	2.0
137.05933	3.6
137.13231	8.4
138.03673	5.1
143.02737	57.8
143.04440	2.5
143.08527	4.0
145.10153	3.1
146.09584	1.6
147.11681	5.5
149.13222	2.1
151.07591	1.8
151.11060	2.0
153.12685	1.6
154.06856	10.7
156.04720	2.7
156.08296	2.7
156.10213	5.6
162.02180	6.7
165.12769	2.4
171.02196	8.1
175.07736	1.9
177.12715	2.8
180.08369	11.1
182.06404	3.1
182.09961	5.3
189.03278	87.5
194.15388	2.5
216.06857	4.1
231.04330	2.7
237.10513	2.3
252.14166	3.5
254.17839	1.7
257.09625	5.0
259.11081	7.9
268.97888	1.7
283.11084	9.8
285.00958	3.2
285.09048	12.9
337.15750	5.0
337.21603	1.7
355.16812	100.0
356.17017	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	355.1538
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.5
55.01857	0.9
55.05507	0.5
65.03941	0.4
67.05516	0.5
69.03429	1.5
69.07060	1.1
70.06526	2.2
73.04765	0.9
78.04694	1.9
79.05482	2.6
81.03397	1.0
81.07050	1.3
84.08098	0.6
85.02896	0.7
91.05412	7.2
93.07033	0.6
95.04971	1.2
95.08612	0.5
97.02881	0.9
97.06520	1.1
100.11258	0.5
103.05460	2.8
104.06218	1.0
105.07025	8.4
106.04163	1.0
107.04928	2.5
107.08601	0.8
107.52174	0.4
109.02888	1.1
109.10159	0.6
111.04421	0.4
115.05445	8.2
117.07014	6.1
118.04157	1.0
119.04960	0.7
119.08578	7.5
121.06477	0.8
121.10143	0.5
123.04427	4.5
123.11720	0.5
124.05206	2.0
125.05923	0.4
127.03922	1.1
127.05465	0.4
128.06197	4.3
129.06999	5.8
131.04926	2.6
132.05701	6.1
133.06485	6.7
137.05945	2.0
141.06981	15.5
142.07303	0.4
143.07086	0.4
143.08507	0.4
145.06467	3.1
147.04416	0.7
147.08032	20.5
149.06003	0.5
151.03915	1.0
152.04634	0.9
157.06456	1.5
158.07266	1.2
159.08017	0.9
160.05194	5.4
161.05978	11.3
162.06563	0.6
163.07512	0.8
167.07031	51.9
168.05902	0.4
168.07384	1.8
169.06479	20.1
170.07193	0.9
173.06039	0.6
173.09595	0.7
174.06731	0.5
175.07532	100.0
176.04654	0.5
176.07864	3.1
178.06232	0.4
178.07809	0.5
179.08466	0.5
180.07780	0.4
181.06418	0.6
181.08578	0.4
186.06744	2.3
187.05951	1.1
187.07516	1.8
189.07338	0.5
189.09088	2.9
191.07007	4.3
191.08566	0.6
192.07391	0.5
193.08588	26.1
194.08951	1.0
199.07487	1.3
201.05426	2.3
201.09105	7.7
202.07774	0.6
202.09451	0.5
203.08539	0.6
205.06717	1.2
206.07227	0.8
207.08012	0.8
211.07396	0.4
213.18344	0.4
219.07878	0.6
220.08754	0.8
222.06674	0.6
223.07455	0.4
224.08218	0.4
231.08012	1.3
234.06680	0.5
235.07512	1.0
236.08275	0.6
237.09116	1.0
239.10596	0.6
245.09709	0.5
247.07487	0.5
248.08281	0.8
249.09167	0.9
250.06400	0.4
251.07016	1.9
252.07867	0.6
259.07523	0.7
262.06461	0.5
263.06946	0.4
263.10556	1.0
265.08542	1.3
267.10126	1.1
268.97968	0.6
276.07645	0.6
277.08563	1.2
279.06488	1.3
281.07895	0.5
285.00867	0.9
291.10013	1.5
293.07928	0.8
295.09610	1.4
295.13071	0.9
297.11169	0.5
305.07996	0.9
307.09573	0.4
309.11166	1.0
323.09079	5.5
323.12622	1.2
324.09625	0.9
325.10718	2.1
327.12234	0.6
337.10611	0.7
340.12958	0.5
349.22220	0.5
355.07388	0.7
355.11597	2.9
355.15347	21.3
356.15729	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1537
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20865	0.5
53.03937	1.1
55.01852	1.7
55.05507	3.2
57.03423	1.0
57.07064	0.9
58.13064	0.5
58.50623	0.5
59.04993	0.7
65.03923	0.7
67.05497	6.1
69.03428	5.0
69.07054	3.6
70.06586	8.6
71.04967	1.2
71.75272	0.7
72.08135	1.5
73.04751	0.5
78.04697	1.5
78.31021	0.4
79.05483	6.0
81.03410	3.4
81.07049	10.1
83.04965	1.6
84.04474	0.6
84.08141	0.9
85.02878	0.9
85.06536	3.3
86.09698	1.0
87.04456	0.5
89.03891	0.7
89.69513	0.5
91.05434	14.2
93.03394	0.6
93.07035	6.5
95.04960	3.5
95.08601	5.2
97.06525	2.3
97.10171	1.2
99.04462	0.9
99.08090	1.4
103.05466	3.2
104.06239	1.7
105.07018	18.0
106.04144	1.2
107.04944	3.2
107.08579	6.6
109.02872	1.7
109.06494	1.4
109.10151	9.9
111.04377	0.6
111.08055	1.2
115.05443	9.0
116.06273	0.5
116.07102	1.4
117.07000	9.5
118.04143	0.9
119.04906	1.5
119.08568	46.6
120.08127	0.7
120.08887	1.0
121.02847	3.2
121.06490	1.5
121.10138	4.8
123.04415	5.0
123.08054	0.6
123.11673	2.9
124.05213	2.0
125.05959	0.8
125.09629	6.9
128.06204	3.4
129.06989	6.3
130.07715	0.7
131.04893	2.4
131.08539	2.1
132.05710	5.8
133.06490	6.8
133.10114	3.0
135.04372	1.2
135.08022	1.0
135.11664	1.8
137.05942	2.5
137.09589	3.7
139.11203	2.5
141.06973	12.9
142.07675	0.6
143.04922	0.8
143.07022	0.7
143.08511	0.7
145.06442	2.8
145.10092	1.9
146.07201	0.7
147.04399	1.1
147.08026	19.2
147.09860	0.8
147.11667	18.9
149.09615	2.1
149.13258	1.0
151.03848	1.0
151.07555	0.8
151.11134	1.2
152.04672	1.3
153.09094	1.3
157.06465	1.4
157.10098	0.9
158.07249	0.8
159.08066	1.5
159.11674	0.8
160.05180	4.4
161.05966	12.9
161.09589	1.0
161.13246	1.2
162.06544	0.6
163.03891	1.1
163.07539	1.2
163.11159	0.6
165.09128	2.8
167.07019	55.0
168.07373	1.5
169.06459	18.2
169.12177	1.6
170.07181	0.8
171.10112	0.7
173.09505	1.1
173.13277	0.8
175.07526	100.0
175.11081	11.3
176.07916	3.6
177.09126	1.0
177.16312	0.6
179.06990	0.6
179.10626	0.8
181.04980	0.9
185.13112	0.7
186.06691	1.1
187.07510	2.0
189.09050	3.5
191.03394	2.1
191.06964	3.4
191.08470	0.6
193.08580	27.3
193.12253	2.6
194.02092	0.6
194.08945	1.0
201.05472	1.7
201.09077	6.7
203.08522	0.7
208.13339	0.6
209.04315	0.7
219.03033	2.5
219.07747	0.6
221.15280	0.7
231.08109	0.9
234.06660	0.6
248.07928	0.7
250.06551	0.7
250.09352	0.8
251.07016	0.7
259.07541	1.0
260.12891	0.6
263.07065	0.6
263.10666	0.9
264.15817	0.5
265.08618	1.1
268.98035	0.6
279.06552	0.7
280.07242	0.8
281.08066	3.3
283.06238	0.8
283.20590	0.6
284.18509	2.0
285.00934	0.8
291.06564	1.1
291.10043	1.6
294.05240	7.0
295.05685	1.0
295.13321	0.6
297.07468	0.9
298.08182	0.9
299.05405	1.0
301.21646	1.7
307.06000	1.1
308.06708	1.6
308.10205	0.8
309.07529	2.6
309.10864	0.7
309.21570	2.6
319.06021	1.3
319.22659	2.5
323.09039	0.9
323.12643	1.3
325.06964	0.6
327.07843	0.7
337.07037	17.3
337.23691	2.2
338.07278	1.4
338.23370	0.5
355.04248	3.0
355.07962	9.9
355.15332	22.5
355.21768	4.3
355.25995	0.6
356.08517	1.2
356.15891	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1537
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03963	1.1
55.01882	1.8
55.05521	2.3
56.96572	0.6
57.03445	2.2
59.04984	0.7
65.03941	0.9
67.05497	4.2
69.03420	12.5
69.07069	3.6
70.02979	0.7
70.06618	1.2
70.26347	0.7
70.26700	3.5
72.08150	8.6
78.04719	2.2
79.05489	4.6
80.05009	3.1
81.03429	1.3
81.07040	6.2
81.22671	0.6
83.04989	0.7
84.08151	0.7
85.02872	0.7
85.06540	1.0
86.00675	2.8
91.05410	7.3
93.07045	6.3
94.06574	1.1
95.05000	2.0
95.08591	5.2
97.06538	3.6
97.10169	1.2
103.05472	2.7
104.06222	1.0
105.03419	1.0
105.07017	11.4
106.04182	0.9
107.04947	3.4
107.08573	4.1
108.08124	0.9
109.02898	1.6
109.06528	1.8
109.10133	3.5
111.08044	1.4
115.05442	6.1
116.01685	1.2
117.06998	5.7
118.04187	0.7
118.98100	0.6
119.08565	9.1
121.06503	1.9
121.10127	6.2
122.03737	0.7
122.09675	0.7
123.04453	3.7
123.08061	1.2
123.11681	1.1
124.05224	1.9
124.07607	1.2
127.11203	2.8
128.06210	3.8
129.07001	6.4
131.04910	1.8
131.08562	1.1
132.05685	5.2
133.06483	6.7
133.10143	2.8
134.09644	1.9
135.04346	0.8
135.08080	1.6
135.11685	1.2
137.06035	1.7
137.09619	1.8
137.13245	0.7
139.11162	30.5
141.06981	12.1
143.02733	4.4
143.08565	1.1
145.06459	1.9
145.10132	1.2
147.04395	1.0
147.08041	19.3
147.09171	1.4
147.11700	3.0
149.09599	1.3
149.13316	1.0
150.37392	0.7
151.03899	1.8
151.07494	1.0
151.11166	1.2
152.04619	1.5
157.06459	1.6
157.10123	1.3
158.07275	2.0
159.08043	1.2
159.11691	1.0
160.05173	4.6
161.05978	10.5
161.09624	1.0
163.07503	0.7
165.09123	1.4
165.12726	1.2
167.07025	54.1
167.12413	0.8
168.06026	0.7
168.07437	1.6
169.06465	19.8
170.07086	1.1
175.07529	100.0
175.11105	2.6
176.07854	2.2
186.06720	1.7
187.07480	2.9
189.03203	4.7
189.06912	0.8
189.09100	3.1
191.07050	4.5
192.13843	1.4
193.08583	27.3
193.12192	3.5
194.08928	0.9
201.05400	1.7
201.09093	7.0
203.08498	1.0
205.06528	1.1
211.13268	1.6
221.39087	0.6
224.09306	0.9
231.07941	0.9
234.06776	0.9
235.07445	1.1
246.18535	1.1
248.08125	1.0
251.06989	0.8
259.07758	0.8
263.10556	1.4
265.08514	1.1
276.07797	0.9
285.01010	0.8
291.10089	1.7
295.09561	1.6
299.05450	1.4
301.21564	1.1
309.07391	1.0
310.23572	2.0
311.24069	14.8
319.22534	1.4
323.08926	3.8
323.12646	1.5
325.10831	1.3
327.08313	1.9
337.10562	0.7
337.23727	5.2
338.23215	2.0
355.04431	4.3
355.07925	1.8
355.11646	2.5
355.15341	25.2
355.26434	16.8
356.15738	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1533
Annotation	3'-Methoxyglabridin
Peak:m/z	Relative Intensity
51.02368	0.6
51.50959	0.4
53.03929	0.4
55.01854	1.3
55.05485	0.5
64.20852	0.4
65.03924	0.5
67.05499	0.6
67.97976	0.3
69.03411	0.6
69.07025	0.4
69.96531	0.4
70.06580	0.8
71.75437	0.5
72.08150	0.4
73.04736	0.6
77.03924	0.5
77.61614	0.4
78.04704	2.4
79.05484	2.8
79.61208	0.3
81.03397	3.0
81.07034	1.7
83.04146	0.3
84.08115	0.6
85.02890	0.4
91.05415	6.9
93.07027	0.8
95.04932	1.0
95.08582	0.8
103.05434	2.6
104.06237	1.6
104.55093	0.4
105.07017	9.7
106.04156	1.2
107.04943	2.9
109.02863	2.8
109.06483	0.5
115.05439	8.6
117.07005	7.2
118.04133	0.6
119.08563	7.5
121.06519	0.8
123.04412	4.4
123.11703	0.5
124.05193	1.2
127.03904	0.4
128.06207	4.2
129.06993	7.0
131.04918	2.7
131.27745	0.4
132.05684	6.7
133.02866	0.5
133.06470	7.9
137.05927	2.1
141.06969	13.9
143.04921	0.6
143.05978	0.6
144.05731	0.5
145.06450	3.0
146.07254	0.5
147.04395	0.5
147.08029	20.8
147.11644	1.4
148.05077	0.4
148.08331	0.5
151.03862	1.1
151.07564	0.5
152.04642	1.4
155.05988	0.4
157.06506	1.4
158.07219	1.2
159.08025	1.5
160.05180	4.4
161.05960	11.6
163.07585	0.6
165.06920	0.5
165.12904	0.4
167.07016	56.0
168.07384	1.3
169.06465	20.4
170.07101	0.9
173.06027	0.5
173.09637	0.7
174.06749	0.5
175.07520	100.0
176.04662	0.7
176.07843	3.4
177.09152	0.7
178.07758	0.5
179.08571	0.5
186.06769	1.5
187.06018	0.7
187.07501	2.7
189.09039	4.6
191.06992	3.8
191.08511	0.5
193.08578	28.2
194.08974	1.0
199.07478	0.7
201.05394	0.6
201.09052	8.4
202.07877	0.6
203.08575	0.5
205.06590	0.5
207.07863	0.5
219.07982	0.9
221.05882	0.6
221.09499	0.5
225.09032	0.4
229.14468	0.6
231.07993	1.1
234.06783	0.7
235.07558	0.6
237.09093	0.8
247.07529	0.7
248.08255	0.9
249.09094	0.5
251.07031	0.8
253.08424	0.5
259.07556	1.2
263.10565	1.2
264.07721	0.5
265.08517	0.8
267.10089	0.7
268.81226	0.4
268.97675	0.6
276.07831	0.9
277.08423	0.8
279.06396	0.4
281.08191	0.5
285.00940	0.7
291.10098	1.7
293.08060	1.3
295.09619	0.9
295.13019	0.8
297.11169	0.7
307.09641	0.7
308.10178	0.4
309.11298	0.8
323.09079	4.9
323.12518	1.4
324.09613	0.5
325.10608	1.6
337.10364	0.5
355.07309	0.9
355.11661	2.5
355.15344	23.5
356.15677	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1538
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11936	0.6
50.93266	0.5
53.03955	0.6
55.01864	1.1
55.05502	1.8
57.03420	0.7
57.07065	0.5
59.49731	0.6
64.91267	0.6
67.05509	3.0
67.64608	0.5
69.03422	2.5
69.07066	5.7
69.46435	5.2
70.06583	1.6
70.49506	0.6
71.04993	0.8
72.08157	1.0
72.42719	0.5
78.04692	1.9
79.05489	5.2
81.03400	1.7
81.06182	0.5
81.07051	8.7
83.04974	1.5
83.08591	0.5
85.02908	0.9
85.06537	1.9
91.05453	9.3
93.03416	0.6
93.07027	4.0
95.04961	1.6
95.08596	4.1
97.02885	0.9
97.06532	6.7
97.10150	0.8
99.04444	0.6
99.08079	0.5
103.05465	1.8
104.06245	1.8
105.07024	10.7
106.04179	0.8
107.04903	2.7
107.08598	4.1
109.02872	0.8
109.06519	1.8
109.10153	4.1
111.04398	0.5
111.08064	0.7
115.05441	9.0
117.06998	8.7
119.04874	0.8
119.08575	9.8
121.02824	0.6
121.06526	1.2
121.10138	3.4
123.04429	4.9
123.11691	3.0
124.05206	1.7
125.05973	4.0
125.09590	1.0
128.06210	3.0
129.06985	6.7
131.04919	2.2
131.08589	1.3
132.05713	6.5
133.06483	6.7
133.10109	1.6
135.04419	0.7
135.08037	1.9
135.11684	1.6
137.05945	1.8
137.09587	1.3
139.11192	3.8
141.06978	12.6
143.07028	5.0
143.08112	0.6
143.08556	0.7
145.06487	2.9
145.10110	1.4
146.07352	0.9
147.08040	21.3
147.11703	2.3
149.09579	1.0
151.03889	0.7
152.04680	1.5
154.02698	0.5
155.05965	0.7
157.06465	1.8
157.10153	0.8
158.07175	1.1
159.08049	0.8
160.05188	4.0
160.07571	1.3
161.05980	9.6
163.07484	1.2
165.09105	0.7
165.12756	1.2
167.07028	53.5
168.07373	0.6
169.06479	19.9
170.07117	1.3
173.05937	0.7
173.09567	1.2
175.07536	100.0
176.04706	0.6
176.07874	2.9
177.09221	0.7
177.16452	1.2
186.06752	2.0
187.07500	2.4
189.07562	0.6
189.09041	3.8
191.07068	3.6
193.08595	27.3
194.08943	0.8
199.07532	0.8
201.05540	0.9
201.09091	8.3
202.07745	1.0
207.08087	0.8
213.18462	2.7
219.07965	1.0
223.07547	0.9
231.08119	1.0
249.09039	0.9
251.07069	1.7
252.07918	0.6
263.10696	1.3
265.08524	1.1
267.09915	0.7
279.06531	0.7
281.08023	0.6
283.20621	0.6
285.01050	0.7
291.10092	2.2
293.07925	1.1
295.09753	1.3
295.13174	0.9
301.21643	1.1
319.22617	1.5
323.09100	5.9
323.12689	1.3
325.10641	2.0
337.07126	0.8
337.23605	1.9
355.07962	1.2
355.11792	1.5
355.15335	21.7
356.15750	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1495
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08045	6.2
53.03907	10.5
55.01853	6.1
57.03421	7.6
58.22904	4.9
61.02892	14.8
69.03418	45.0
70.06565	15.8
70.81580	19.5
73.02934	5.8
73.04729	6.0
79.05452	10.2
81.03394	25.3
83.06069	11.1
84.04486	8.9
84.08121	11.4
85.02900	87.9
86.09685	18.7
87.04462	11.0
91.05836	11.2
95.04929	22.9
97.02877	36.6
99.04385	8.0
103.05453	12.7
104.04928	7.7
105.07024	5.8
107.04936	25.9
109.02837	17.4
116.04984	41.4
119.04951	9.0
120.08060	36.8
121.02863	12.6
123.04395	8.2
127.03905	33.7
130.04179	6.5
130.06531	28.0
131.04933	5.0
131.05957	6.5
132.04430	68.6
134.41339	5.8
135.04417	6.2
136.03917	9.2
137.05940	23.4
145.04932	18.0
145.06436	5.3
148.07567	20.0
149.05934	6.9
157.07608	87.8
158.06003	15.2
161.05949	8.6
166.08575	10.0
173.06053	8.6
175.08672	97.5
176.05650	11.0
187.06021	10.8
191.03326	7.7
193.09709	100.0
194.06689	28.8
196.14529	7.4
201.05412	54.9
215.08308	5.8
219.02965	6.7
234.06561	9.1
262.06219	6.6
268.97876	6.2
281.07944	12.6
285.00806	6.9
294.05136	18.4
297.07587	7.2
299.08139	11.4
307.05673	8.8
309.07452	13.3
323.09073	16.3
327.07590	19.8
337.07120	47.1
337.13983	9.5
338.07446	7.5
355.07513	57.1
355.14917	13.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1384
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93144	0.6
53.03936	0.8
55.01638	0.9
55.01870	11.1
55.05494	2.0
56.05007	0.8
56.19466	0.6
57.03436	0.8
58.06596	0.5
59.04984	1.6
61.02924	0.5
65.03938	1.1
67.05490	2.1
69.03424	1.2
69.07035	0.8
70.06581	2.3
70.68177	2.1
71.04965	1.0
72.08123	1.7
73.02907	2.9
73.04761	0.7
75.04447	0.9
76.77592	0.6
79.05492	26.5
80.05813	0.6
81.03389	1.5
81.04538	1.0
81.07032	1.7
83.01322	2.8
83.06081	2.2
84.02115	0.7
84.04475	0.7
84.08109	1.0
85.02896	2.4
86.09692	2.3
87.04439	1.9
88.04829	0.6
89.06021	1.9
91.05401	7.9
93.07037	28.2
95.01288	0.7
95.04952	3.1
95.06065	0.5
99.04455	1.2
101.02348	1.4
105.07018	8.6
107.04939	2.7
107.08587	40.4
108.08920	0.7
109.06506	1.4
109.10184	0.7
111.00800	2.0
113.02359	1.3
115.03944	3.3
115.04631	0.6
119.04905	1.9
119.08560	2.0
120.08057	0.7
121.02845	4.5
121.06483	1.8
121.10136	19.4
122.10482	0.7
131.08553	6.2
133.05032	0.8
133.08604	1.7
135.04343	0.7
136.06213	1.2
137.05977	1.3
143.03392	4.5
145.02831	1.0
147.04367	0.9
147.08020	0.9
147.11647	1.7
149.09612	100.0
150.09923	2.9
161.04477	0.8
161.05968	0.7
162.06871	0.7
163.03894	1.8
167.07057	2.3
175.07510	0.8
175.11142	1.1
179.03465	0.8
179.07060	0.6
180.07823	1.4
181.05023	1.0
191.03384	4.7
194.02017	0.7
196.14429	2.1
201.05469	1.9
209.04378	1.2
215.05534	1.7
219.02875	4.2
224.13828	0.7
250.09349	0.7
251.56003	0.6
270.82153	0.6
280.07376	1.0
281.08118	3.3
283.06009	1.3
285.01123	1.0
291.06671	1.0
294.05209	10.9
295.05664	0.8
297.07541	1.0
298.08060	1.1
299.08334	1.9
307.06119	1.7
308.06693	2.0
309.07513	4.5
319.05966	2.2
326.07550	0.7
327.07697	7.7
337.07040	23.0
338.07401	1.9
355.07800	22.9
355.22583	0.9
356.08124	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1432
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	50.1
57.03423	12.9
57.07043	16.7
58.92542	7.3
67.05495	87.0
69.07059	48.7
69.59162	37.2
69.59587	31.6
72.91693	7.2
79.05470	29.0
81.07050	93.5
83.08606	29.0
85.06531	7.1
91.05414	17.2
93.07032	41.8
95.08591	100.0
97.06508	9.4
97.10149	24.6
98.21384	18.1
105.07028	17.4
107.08552	25.2
109.10187	35.8
111.08102	11.0
119.08527	23.0
121.10165	38.2
123.11692	24.5
129.07048	13.2
130.29463	7.3
131.71356	7.0
133.10124	25.2
135.11678	12.4
137.13260	10.0
147.11626	11.2
149.13251	16.7
157.10149	12.9
159.11700	7.7
161.13252	13.6
163.14836	15.3
173.50508	7.9
175.14815	12.8
179.17900	9.7
199.14761	11.1
245.22536	49.2
263.23688	34.9
312.13187	7.9
337.27649	22.2
355.27866	27.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1385
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.9
55.01865	12.8
55.05502	3.4
56.05013	0.8
57.03416	0.9
58.06607	0.9
59.04993	2.8
65.03923	1.2
65.90848	0.8
67.05499	4.5
67.05807	0.7
68.99776	1.0
69.03406	1.8
70.06572	3.7
71.04976	1.3
71.70995	0.7
71.74515	1.0
72.08144	2.4
73.02901	4.9
73.04765	1.7
75.04480	0.9
79.05018	1.6
79.05482	28.7
80.05853	0.8
80.50002	0.7
81.03403	2.4
81.04529	0.8
81.07040	2.8
83.01346	4.2
83.06089	6.8
84.08154	3.7
85.02899	1.9
85.06556	0.8
86.09699	3.6
87.04454	2.4
89.06026	3.8
91.05384	11.2
93.07032	34.0
95.04931	4.6
95.08595	1.9
97.02888	1.0
99.04438	3.1
101.02379	2.0
103.05465	0.9
105.07020	10.8
107.04944	2.9
107.08578	42.7
108.08932	1.0
109.02832	0.8
109.06526	2.4
109.10162	1.5
111.00806	2.6
111.08080	0.9
113.02370	1.7
115.03933	3.3
116.07068	0.8
117.07005	0.8
119.04924	2.2
119.08547	4.6
120.08007	0.9
121.02830	6.6
121.06508	2.1
121.10125	20.6
123.07987	1.4
129.01776	0.8
129.10219	0.8
130.06537	1.4
131.08531	6.9
133.05016	0.9
133.06396	1.0
133.08601	1.6
133.10114	1.2
134.05998	1.1
135.04427	2.3
136.06171	1.3
137.02310	1.4
137.05991	1.6
137.09572	1.2
139.11066	1.0
143.03372	4.3
145.02835	1.8
147.04417	1.1
147.07986	1.2
147.11685	3.5
149.09598	100.0
150.09987	3.0
163.03922	3.0
164.07094	1.1
167.07056	1.0
175.03857	1.2
175.11165	1.4
176.01018	1.4
181.04987	2.1
183.03035	1.2
191.03378	4.7
194.02173	1.5
196.14404	4.3
201.05490	1.9
209.04506	1.0
215.05511	1.3
219.02887	5.3
224.13979	2.5
249.09845	0.9
252.07803	0.8
268.98044	1.6
281.07974	5.6
283.06006	2.3
285.00995	2.6
291.06537	1.2
294.05222	13.1
295.05566	1.9
297.07538	2.9
298.08124	1.4
299.05380	1.5
299.08234	2.3
307.05865	1.3
308.06808	3.0
309.07458	6.7
319.06012	2.1
325.06900	1.8
326.07040	1.2
327.07700	11.7
337.07013	34.5
338.07306	2.7
355.07761	33.5
355.13135	1.0
355.23083	2.2
356.08133	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1175
Annotation	3-Hydroxyterphenyllin
Peak:m/z	Relative Intensity
51.70768	1.3
53.03930	2.6
54.09538	1.3
55.01851	3.3
57.07069	1.3
59.69771	1.6
63.94603	1.6
65.03922	1.7
67.05486	3.2
69.03413	4.2
70.06557	2.1
73.04751	3.3
79.05489	1.5
81.03391	6.4
81.07039	4.5
84.08114	3.0
85.02881	3.8
91.05421	6.9
91.05805	7.1
95.04959	4.2
95.08575	2.1
97.02862	2.9
103.05478	2.4
105.07040	3.9
107.04955	3.9
109.02831	4.4
109.10123	2.0
110.07127	1.9
111.04420	1.7
114.07417	1.5
115.05450	5.9
116.04990	1.9
117.06990	1.9
119.04941	4.6
119.08579	1.6
121.02856	5.3
123.04429	3.1
123.11650	1.5
127.03899	5.8
128.06224	2.1
129.07002	2.5
130.04138	2.4
131.04901	6.1
133.06477	3.7
137.02284	1.9
137.05960	12.7
141.06937	4.1
143.04994	1.8
145.05008	2.2
145.06450	4.1
147.04372	3.6
147.08009	3.4
150.06750	1.8
151.03874	4.0
156.22594	1.6
158.03670	2.7
159.08084	1.8
160.05153	3.6
161.05965	3.8
165.01830	1.7
165.06985	5.1
167.07014	15.2
167.08414	2.7
169.06471	5.6
171.04366	1.8
173.05942	4.8
173.38362	1.8
175.03871	6.3
175.07541	25.1
177.06987	1.8
178.07770	5.4
179.08524	4.1
181.06496	5.0
182.07217	1.7
183.04491	1.5
183.07986	3.0
185.06041	2.8
186.03098	3.4
187.05963	10.6
187.07483	2.2
189.06944	3.7
190.07951	1.4
191.08525	2.1
193.06506	1.9
193.08592	8.8
194.07149	3.1
195.08008	7.2
196.08833	1.7
201.05457	31.6
201.09106	1.9
202.05701	2.6
203.08652	1.7
205.06566	8.8
206.07208	4.4
207.07988	6.4
208.08836	2.0
210.06760	3.4
211.07396	3.3
213.09085	2.5
218.07254	2.4
219.08055	4.8
220.08701	1.6
221.05977	3.2
221.09593	2.9
222.06670	2.7
223.07611	7.7
224.08223	3.7
225.09102	3.7
226.06209	1.8
227.06808	1.6
231.08096	2.6
233.05986	4.1
234.06723	5.7
235.07532	9.5
236.08292	2.7
236.30728	1.7
237.05457	2.7
237.09096	6.4
238.09816	3.2
239.07036	4.4
239.10545	2.5
240.07790	3.2
241.08549	6.2
245.05821	1.9
246.06714	2.2
247.07513	4.4
248.08281	3.2
249.09038	4.5
250.06142	2.8
250.09848	1.6
251.07089	8.1
252.07773	3.2
253.08543	6.5
254.05823	2.8
256.07333	3.3
261.05551	2.0
262.06161	3.4
263.06833	2.6
264.07889	2.9
265.08496	9.8
266.09186	4.2
267.10220	9.4
268.07239	2.4
268.97797	2.3
269.08014	4.7
277.08578	5.8
278.05966	1.7
279.06607	3.2
279.09787	2.8
281.08252	2.7
282.08749	2.4
283.09601	5.1
284.06732	1.6
285.00949	1.8
290.05844	3.4
291.10022	1.7
293.07916	4.8
294.09067	3.6
295.09692	16.1
296.09995	2.4
297.07703	3.3
297.11066	3.2
299.12949	2.3
305.08041	6.1
307.09457	3.8
308.10233	2.7
309.11127	8.0
312.09845	5.1
322.08142	2.4
323.09042	5.2
325.10693	9.2
327.12280	12.9
337.10645	6.8
337.14188	2.0
355.07315	4.9
355.11673	100.0
355.15375	8.9
356.12033	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	355.1171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.7
53.77081	0.5
55.01852	1.3
55.05522	0.7
56.05023	0.6
63.72387	0.5
65.03932	1.1
67.05482	0.7
69.02152	0.5
69.03431	0.9
69.07043	1.7
70.06589	4.6
70.91656	0.5
71.47926	1.2
72.08146	1.7
73.02882	0.7
73.04743	2.1
73.08426	0.6
79.05482	1.8
81.03413	1.1
83.06087	0.8
84.04483	2.0
84.08130	4.3
85.02894	1.1
86.09702	3.5
89.03886	0.5
91.05460	8.7
91.05852	3.2
93.07043	0.6
94.04162	1.6
95.04939	1.3
96.27483	0.6
96.60493	0.6
97.02868	1.0
102.04667	2.2
103.05441	2.6
105.03358	1.1
105.07031	2.8
107.04927	1.4
109.02857	1.4
109.06484	1.4
110.07185	2.9
112.05059	1.6
112.08704	1.1
114.07376	0.8
115.05447	3.4
117.06977	2.0
119.04923	11.9
120.08070	1.7
121.06519	0.8
122.03625	4.3
124.05183	3.0
125.06101	0.6
127.03878	1.3
129.10213	1.8
130.04120	3.7
131.04906	2.1
133.06500	2.0
135.04391	2.4
136.07567	0.8
137.05962	42.0
138.06485	1.7
141.10184	0.5
143.04875	1.2
144.05698	0.6
145.06448	3.8
146.03621	1.6
147.04401	10.1
149.05957	3.6
150.06784	4.2
151.03915	2.6
151.07515	1.9
152.06268	0.5
152.08311	0.9
155.04929	0.6
157.03954	0.9
158.03621	5.6
160.05165	1.5
161.05984	6.2
162.03108	1.6
162.06750	5.5
165.05510	0.7
165.06981	0.5
170.03537	0.8
171.04364	1.2
173.05952	10.5
175.03886	13.0
175.07469	1.0
176.06200	0.5
177.05429	2.6
177.06982	1.9
178.07774	2.3
179.06970	2.1
180.07784	3.0
185.05977	1.2
186.03114	9.3
187.03595	0.6
187.05956	2.0
187.07492	0.7
188.04695	1.6
189.05449	3.3
189.06995	4.6
190.07846	0.7
191.06993	0.9
191.08530	1.2
193.04985	1.3
194.07275	1.7
195.08109	1.0
197.16312	0.8
199.03937	0.7
201.05447	100.0
202.05783	4.4
202.07593	0.8
203.07019	3.0
204.05806	0.7
205.06476	8.1
206.07274	5.2
207.06425	2.5
207.08124	0.8
211.07484	1.1
213.05418	2.6
214.06160	0.6
217.06514	2.7
218.07256	2.4
219.08009	1.5
220.05191	0.7
221.06039	2.5
221.09598	1.1
222.06720	4.3
223.07500	2.4
223.11850	0.8
231.06377	3.4
233.05978	5.2
234.06725	13.3
235.07472	3.6
237.09064	3.8
238.06471	0.6
239.07024	0.7
244.05214	0.8
245.05923	4.1
246.06673	1.2
247.07507	2.6
248.08232	1.2
249.05481	2.4
249.09085	6.0
250.06226	3.7
251.06998	3.2
253.08513	0.6
261.05536	2.7
262.06229	10.1
262.65869	0.5
263.07031	3.8
263.09747	0.5
264.07874	1.7
265.08600	7.0
266.09250	2.2
267.06531	0.9
268.97763	1.6
273.05402	3.0
274.06091	1.6
275.06860	1.0
276.07639	1.1
277.05438	1.0
277.08597	12.6
278.05746	2.0
278.09186	1.4
279.06485	3.5
279.09686	0.9
280.07104	0.7
282.08786	1.1
285.00937	4.0
287.06790	0.8
289.04984	0.7
290.05710	8.6
291.06235	1.9
292.07388	2.7
293.08023	6.1
294.08719	3.1
295.09521	1.9
297.11182	1.9
303.01901	1.3
304.07297	0.7
305.08060	18.5
306.08490	2.0
307.05923	1.5
307.09567	4.8
309.07877	0.6
309.11169	3.0
310.08200	0.6
311.08972	1.1
319.09576	2.1
320.65308	0.6
322.08316	3.9
323.09091	5.9
325.10629	6.7
337.10648	12.5
338.11099	1.2
353.06586	0.8
355.07031	2.5
355.11703	7.3
378.99234	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1173
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01849	1.5
55.69608	0.7
56.05025	1.0
65.03929	1.7
67.05492	0.9
68.55096	0.7
69.03415	1.7
70.06591	5.5
70.09640	1.5
70.10052	2.6
70.94850	0.7
72.08154	1.4
72.09254	0.7
73.04732	2.4
77.03919	0.7
79.05487	1.5
81.03396	2.3
81.07065	0.9
84.04490	1.5
84.08127	3.7
85.02893	2.5
86.09680	3.0
91.05450	7.6
91.05830	3.3
94.04183	1.0
97.02858	1.5
98.21489	0.7
99.04431	0.9
102.04659	2.2
103.05448	1.6
105.03332	1.4
105.07000	2.9
109.02803	1.8
109.06510	1.5
110.07149	1.5
115.05420	3.1
117.07013	1.5
119.04931	11.0
120.08109	1.2
121.06500	0.9
122.03638	4.2
124.05189	2.4
127.03896	2.1
129.10178	1.4
130.04118	3.2
131.04872	2.1
131.08604	0.7
133.06512	1.8
133.10152	0.9
135.04404	1.4
137.05960	42.9
138.06323	0.7
143.04912	2.2
145.06467	3.3
146.03667	1.8
147.04395	11.0
147.11673	1.0
149.05966	2.8
150.06723	4.1
151.03851	2.4
151.07536	2.0
157.03989	0.7
158.03610	4.5
160.05177	2.1
161.05972	6.7
162.03142	1.4
162.06721	5.2
163.03909	0.9
163.14880	0.8
165.06955	1.3
171.04379	1.3
173.05980	9.3
175.03905	13.0
175.07515	1.3
176.04471	0.7
176.06267	1.0
177.05490	2.0
177.06917	1.7
178.07733	2.6
179.07034	2.8
180.07782	2.7
185.05991	1.3
186.03130	8.6
187.05995	5.6
187.07480	1.3
189.05389	2.6
189.06970	4.3
191.06975	1.0
193.04883	1.1
193.06615	1.0
193.10451	1.0
194.07265	1.8
199.03902	0.8
201.05443	100.0
202.05826	4.8
203.06999	2.5
205.06468	7.9
206.07245	5.4
207.06454	1.6
213.05382	2.3
217.06523	1.8
218.07320	1.1
219.07983	1.5
221.05943	1.8
221.09503	1.2
222.06766	4.3
223.07404	1.8
231.06380	4.8
233.05891	4.9
234.06740	12.1
235.07362	3.1
237.09055	3.6
245.05956	2.8
246.06754	0.9
247.07422	2.4
248.08310	1.0
249.05415	2.0
249.09142	3.8
250.06169	4.8
251.06929	3.2
252.97240	0.9
256.44797	0.9
261.05423	1.7
262.06180	9.3
263.06943	2.4
264.07666	1.0
265.08588	6.6
266.09238	1.3
267.06625	1.1
268.97873	1.7
273.05396	3.0
277.08600	10.5
278.05634	1.7
278.09125	0.8
279.06464	2.9
285.00958	3.5
287.06989	1.0
289.04974	1.1
290.05765	8.1
291.06247	1.4
292.07239	3.2
293.08005	5.5
294.08719	2.4
295.06064	0.8
297.10995	0.9
305.08032	16.7
306.08768	0.8
307.06097	1.9
307.09589	5.2
309.11127	2.5
314.23215	0.8
322.08353	3.8
323.09045	8.0
325.10715	7.9
337.10641	11.6
351.72479	0.8
355.07205	1.9
355.11700	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	354.3364
Annotation	Anandamide (20:l, n-9)
Peak:m/z	Relative Intensity
51.32832	4.2
55.05488	8.2
57.07067	12.2
58.06579	16.8
60.04509	14.1
67.05485	9.8
69.07043	20.8
70.06589	6.0
70.66357	15.3
71.08609	13.3
81.07056	10.9
82.05775	5.2
83.08595	11.8
85.10167	7.1
95.08600	21.1
96.44189	5.4
97.10147	10.3
108.54756	5.4
109.10152	11.1
178.36024	4.8
201.83336	4.8
210.29689	4.5
237.06424	5.1
307.29739	5.6
326.34244	6.6
336.32477	12.9
354.33713	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1021
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.4
55.05497	1.3
67.05454	1.2
69.03419	4.3
70.06588	12.8
71.06940	0.9
72.08147	3.8
73.04742	5.4
73.46778	0.9
79.05479	1.9
81.03402	3.9
84.04505	2.7
84.08125	9.4
85.02903	4.5
86.09701	5.7
87.35676	0.9
89.03907	8.5
91.05822	22.6
95.04961	1.9
97.02878	3.8
98.21062	6.2
105.03416	1.5
105.07011	2.1
107.04934	3.1
109.02864	4.7
110.07156	5.8
114.07351	1.8
117.03363	7.3
119.04937	3.0
120.08088	2.5
127.03893	2.6
129.06602	1.0
129.10231	3.3
135.04404	17.9
136.07616	1.8
137.05978	10.9
142.53383	1.2
145.02815	11.7
145.04912	1.0
147.04414	2.5
156.07707	1.3
161.05954	1.3
162.06633	1.3
163.03893	100.0
164.04292	2.5
173.05997	2.0
175.03906	3.5
177.05542	2.0
181.04840	1.1
186.03174	1.6
187.06036	7.5
189.07043	1.2
193.04965	1.5
193.10609	1.7
201.05440	18.3
203.06944	2.0
205.06856	4.2
206.07344	1.9
213.05467	1.4
222.07019	1.4
231.74310	1.0
233.05933	1.5
234.06804	2.3
250.06004	1.1
262.06271	2.4
268.97934	6.8
271.89807	1.3
274.14642	1.1
277.08563	3.1
285.00925	9.5
292.06985	1.0
293.07971	1.9
301.14224	1.7
303.02069	2.6
305.08170	2.7
307.09787	1.3
323.09091	2.9
337.10608	2.6
355.07037	9.1
355.11255	1.6
373.08069	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.2634
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03917	0.6
55.01850	0.6
55.05506	2.2
56.04996	0.4
60.04484	0.4
62.06051	0.3
65.24003	0.3
67.05504	3.1
69.03385	0.7
69.07058	1.9
70.06542	0.9
71.04968	0.5
72.04484	0.7
72.08113	0.8
73.04764	0.3
74.06030	0.9
79.05477	2.6
80.04961	0.5
81.03407	6.1
81.07043	5.7
82.06541	1.0
82.07343	0.3
83.04941	0.5
83.08567	0.9
84.04427	0.3
84.08096	0.5
85.02859	0.5
85.06501	0.7
86.00603	0.3
88.07578	0.3
91.05426	2.0
93.05779	0.4
93.07032	2.9
94.06512	1.3
95.04939	0.7
95.07318	0.5
95.08005	0.3
95.08587	3.6
96.08073	0.8
97.06508	0.6
97.10117	0.6
97.30094	0.3
98.21553	0.5
100.07552	0.9
105.07022	2.5
106.06528	0.4
107.04935	0.4
107.08582	1.8
108.08124	1.7
108.08698	0.3
109.02869	4.9
109.06519	0.4
109.08863	0.7
109.10134	1.8
110.09706	0.3
111.04385	0.3
112.07555	1.0
117.06956	0.5
119.08567	2.1
121.06454	0.3
121.10092	1.7
122.09657	2.1
123.08002	0.5
123.10391	0.4
123.11694	1.6
124.07578	7.1
124.11187	0.4
125.09573	0.3
126.09137	0.6
127.03848	0.8
128.10687	0.5
131.08502	0.5
133.10059	1.2
135.11630	0.6
136.11201	2.5
137.05962	0.4
137.09586	0.7
138.09116	2.3
139.09857	1.2
139.10939	0.3
140.10657	0.8
141.06918	0.6
142.12199	1.2
143.02722	0.4
145.10083	0.5
147.07977	0.6
147.11664	2.8
150.12749	0.6
152.10687	4.3
153.11421	0.9
153.12617	0.3
154.12189	1.1
161.05940	0.6
165.08969	0.4
165.12703	1.3
166.12267	3.0
167.06984	1.6
167.12979	1.2
168.13774	1.1
175.07509	2.6
175.11137	0.7
175.14812	0.4
182.15352	0.9
189.03267	0.7
189.05057	0.3
193.08557	0.7
193.12172	0.4
229.14291	0.7
231.20474	0.3
236.16580	0.4
242.17357	0.4
246.18489	1.0
250.18065	0.7
264.19498	1.2
266.17511	1.6
266.21216	0.3
268.19043	0.4
268.97897	0.4
280.19040	3.3
282.20782	0.5
283.05960	1.1
285.01123	0.5
292.22644	1.0
308.22162	2.0
308.77237	0.3
310.23718	100.0
311.24026	5.6
312.25110	1.8
322.11569	0.8
326.07315	0.4
347.28391	0.3
354.26346	71.8
355.07858	0.7
355.11642	0.4
355.17709	2.6
355.21417	0.4
355.22849	0.4
355.26715	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	354.2632
Annotation	Methyl tumonoate A
Peak:m/z	Relative Intensity
53.03932	1.7
55.01855	3.8
55.05507	17.8
57.03433	1.7
57.07065	1.9
62.06081	100.0
63.06417	1.8
65.03912	1.3
67.05494	19.1
69.07062	13.0
69.72888	11.7
69.81438	1.6
70.06542	1.3
71.04971	2.3
71.08620	1.5
73.04737	1.9
79.05483	23.4
81.03426	2.9
81.07043	45.9
82.06512	1.5
83.04967	3.1
83.08601	11.4
85.05319	1.8
91.05438	18.9
93.07038	16.6
95.04947	6.7
95.08600	11.6
97.06509	6.3
97.10143	1.7
98.06053	5.2
99.08081	1.6
105.07009	15.3
107.04930	4.5
107.08586	8.6
109.06513	13.7
109.10152	6.1
110.43713	1.6
111.04313	1.3
111.08041	3.7
112.07560	1.7
117.06997	4.0
119.08556	13.0
121.06441	1.9
121.10095	6.9
123.08073	3.3
123.11694	2.8
129.06976	2.6
131.08557	6.7
133.10114	6.0
135.08037	2.5
135.11736	1.9
143.08565	3.6
145.10104	5.8
147.11670	6.0
149.09613	5.3
149.13289	2.0
151.11230	1.6
157.10098	2.1
159.11641	4.5
161.09625	1.8
161.13312	2.6
163.11179	3.2
165.12711	2.9
173.13257	2.1
175.11140	2.4
189.12717	1.6
192.13693	1.8
208.16888	9.3
222.18559	2.1
226.17892	7.5
236.16496	8.3
239.17952	2.1
247.20622	2.6
254.17490	15.9
257.19101	3.5
275.19980	14.9
294.24194	3.1
318.24249	86.9
319.24539	4.2
336.25317	25.3
354.22870	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	354.1756
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.3
56.49611	0.9
56.96567	2.1
57.03450	1.1
57.07054	2.4
60.04508	1.3
61.02929	1.5
62.06084	49.9
66.76581	1.1
67.05495	2.7
69.03425	4.7
69.07065	3.6
70.02951	3.8
70.06580	4.0
70.83144	3.4
71.05007	2.1
71.16583	1.1
72.04489	1.6
72.08154	2.3
73.02914	2.6
73.04749	3.5
79.05481	1.6
81.03414	2.8
84.08147	3.3
84.32295	1.0
85.02895	9.9
85.06538	4.3
86.09715	1.7
87.04403	1.1
88.03991	11.5
91.05812	15.1
95.04969	4.3
97.02879	5.5
98.97572	2.4
103.07587	2.7
107.04976	2.5
109.02901	1.9
110.07153	3.9
110.97560	1.3
116.98605	3.4
120.08122	1.8
124.07600	2.5
127.03909	2.8
130.04976	1.5
133.06523	1.2
134.03610	3.8
134.05997	13.0
134.09729	2.4
134.99669	1.7
135.04388	2.0
136.07571	2.0
137.06007	1.7
145.04945	1.6
146.99544	1.2
147.04396	2.5
148.07587	1.5
152.07040	14.3
156.10213	5.3
162.09181	1.7
163.03922	5.2
164.07045	2.2
174.11244	14.2
174.97398	1.1
176.07066	2.3
177.07840	2.1
178.08562	2.5
179.09447	1.7
192.12296	100.0
193.12642	2.6
219.01828	1.6
219.48859	1.3
233.07487	3.5
237.02745	2.7
241.36351	1.2
247.06538	1.5
247.32028	1.2
268.97809	3.2
285.00833	5.7
303.01987	1.7
336.10068	3.9
354.11182	13.3
355.07001	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	354.2633
Annotation	Methyl tumonoate A
Peak:m/z	Relative Intensity
51.06400	1.4
53.03929	2.8
55.01856	6.0
55.05500	11.0
57.03430	2.6
57.07076	3.6
60.04518	2.2
62.06086	32.8
67.05496	16.3
68.05020	1.9
69.03427	3.2
69.07053	14.7
70.06596	4.4
71.01003	1.7
71.08615	2.3
71.74377	2.2
72.04505	2.4
72.08150	2.0
79.05491	13.9
81.03415	7.8
81.07053	19.8
82.06571	3.5
83.04984	3.2
83.08598	4.7
84.08134	3.6
85.02879	3.3
85.05278	4.0
85.06514	2.3
86.00655	1.8
86.11664	1.6
91.05395	10.5
93.07037	15.6
94.06544	3.6
95.04957	9.9
95.08585	15.1
96.08125	4.8
97.02898	2.2
97.06527	4.1
97.10138	2.2
98.06033	11.0
98.09662	1.7
99.06833	1.6
100.11235	3.1
105.07034	9.5
107.04962	3.4
107.08580	9.5
108.08094	3.8
109.06511	3.6
109.10154	5.3
110.06033	3.1
110.09683	4.2
111.08021	2.6
112.03942	1.8
116.01691	3.1
117.07022	4.5
119.08595	7.7
120.08147	1.8
121.06491	2.7
121.10116	5.1
122.09669	3.6
123.08059	2.9
124.07580	66.3
124.11198	3.4
128.03413	2.0
131.08611	3.7
133.06419	1.6
133.09171	1.5
133.10153	5.3
135.08089	2.0
135.11679	5.5
136.07524	2.2
137.09578	2.9
138.09113	8.1
145.10104	4.9
147.11697	5.1
149.09579	2.3
151.11121	2.5
152.10670	3.2
153.11394	1.4
156.36670	1.5
157.10156	2.6
159.11752	2.5
161.13135	1.8
165.12755	1.7
175.07578	2.8
177.12732	2.4
180.13782	3.1
189.03256	4.6
192.13829	1.7
194.15404	4.6
196.13277	4.8
207.13829	2.3
208.16954	2.5
210.14819	2.0
214.14374	3.3
224.14690	1.6
228.15775	2.8
238.17950	3.4
254.17387	2.1
267.18262	32.9
268.18744	3.1
273.09106	1.7
275.20041	5.6
276.15900	2.7
285.01099	2.3
285.09055	3.2
293.20996	7.3
318.24353	4.2
326.59888	1.6
336.25293	100.0
337.25757	4.6
354.06702	3.1
354.15607	2.3
354.26343	42.7
355.07776	2.7
355.12073	2.9
355.16736	23.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.1754
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15998	2.1
50.27937	1.9
53.03936	5.3
55.01855	7.9
57.03422	3.9
61.02913	5.0
64.03278	2.0
66.24758	2.4
68.99778	2.8
69.03423	38.6
69.07063	2.6
69.59937	5.1
69.60347	15.9
70.06573	9.2
73.02896	8.4
73.04749	3.9
74.02376	2.7
79.05487	3.3
81.03413	28.4
81.07062	2.5
84.08123	6.6
85.02897	100.0
86.09677	6.1
87.00825	39.8
91.05772	9.6
93.07055	3.0
95.05000	2.2
97.02878	35.0
98.97572	2.6
99.04459	13.4
103.05434	3.2
105.01859	72.2
105.07044	4.7
107.08611	2.4
109.02869	24.2
110.07148	4.4
113.92723	2.3
117.06940	2.2
119.04902	2.4
119.08534	4.1
120.08066	5.1
127.03905	85.8
129.01822	3.8
130.08624	4.3
132.08075	2.8
133.06485	2.4
137.05974	8.7
145.04941	37.4
159.02876	16.3
161.09650	4.0
167.07036	5.7
173.27995	2.3
175.07526	7.4
187.06038	12.0
187.07469	3.7
189.03941	3.7
189.09154	3.5
191.07082	4.1
201.05447	3.6
205.07004	5.4
226.34546	2.0
231.04944	22.1
249.05931	5.3
277.08630	3.6
280.10730	2.4
285.00937	4.0
305.08167	4.3
314.88501	2.6
322.11316	3.5
323.09219	3.9
337.10916	4.8
354.14990	4.1
355.06937	3.4
355.11255	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	354.1756
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01850	2.2
57.03426	3.3
61.02930	2.2
67.05485	4.5
69.03404	4.1
70.06586	6.7
71.04983	4.8
71.21629	1.7
71.21966	2.1
72.08150	3.2
72.33871	1.5
72.73591	1.4
73.02909	6.3
73.04746	4.6
80.05020	1.7
81.03397	1.8
81.07053	1.6
84.04517	2.9
84.08137	5.6
85.02879	6.7
85.06528	6.3
86.09714	2.2
91.05838	15.6
93.07034	2.2
94.06564	1.8
95.04952	6.4
97.02905	2.6
97.06564	2.0
101.02374	16.7
105.03400	2.4
107.04965	2.9
110.07175	1.6
113.05996	100.0
119.04918	3.2
120.08110	2.4
122.05992	2.5
123.04442	1.7
129.09042	1.7
131.07036	33.1
134.03615	1.9
135.04457	2.6
136.07590	3.5
137.05971	5.2
139.07521	4.9
146.05986	10.4
147.04410	5.4
152.07024	1.6
153.04066	6.5
153.05263	1.4
157.08601	8.1
163.03891	13.3
174.05540	3.6
174.96977	2.0
175.03938	1.7
175.09659	4.4
188.07077	1.7
192.06505	2.6
201.05429	6.4
203.12830	1.5
203.66228	1.5
216.06577	4.6
259.07068	1.6
265.77698	1.9
268.97809	5.5
277.08499	1.8
285.00912	4.2
294.04895	1.7
336.12839	2.5
337.06921	2.8
337.10559	4.8
354.06796	3.6
355.01297	1.7
355.06726	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.1755
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86005	1.8
56.05033	2.9
56.27856	1.9
56.55384	1.7
60.04515	2.5
60.52871	1.8
62.05759	2.7
62.06081	51.1
62.06578	2.1
67.05506	2.7
69.03433	3.1
69.07071	2.7
70.02947	5.1
70.06580	8.9
70.47752	3.5
70.48154	4.3
72.08143	4.0
73.04751	6.7
74.00636	2.0
74.06067	4.5
77.38781	2.0
77.56496	1.9
80.52306	2.1
81.03406	3.3
84.04486	5.0
84.08137	6.8
85.02892	5.3
85.06537	3.7
86.50513	1.8
88.03970	14.8
91.03909	1.9
91.05796	29.2
95.04964	5.5
101.07121	1.9
103.07578	3.4
107.04936	4.8
108.14548	2.2
109.02869	2.3
110.07162	5.7
114.07372	1.9
120.08090	15.5
121.02864	3.0
127.03886	3.7
130.04974	2.7
134.03632	7.1
134.06107	2.4
135.04414	4.5
137.05952	2.0
139.42412	1.8
146.06039	5.8
156.10188	6.8
163.03891	6.3
174.11296	9.8
176.10747	2.9
187.06020	2.2
192.12283	100.0
205.07005	2.7
214.71690	2.1
221.12801	15.6
268.97861	5.3
272.25507	1.8
285.00922	9.8
305.03397	1.9
355.06845	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	354.1545
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03461	0.3
64.41733	0.3
65.03952	0.3
69.03400	0.5
70.06579	1.2
71.47596	0.7
72.04507	3.1
72.08141	0.5
75.19156	0.3
84.04491	0.3
84.08117	0.5
85.02881	0.9
86.09630	0.3
91.05434	4.1
92.05806	0.5
93.07030	0.7
103.05431	0.5
119.04928	16.3
121.06489	6.9
129.10231	0.6
137.05936	0.6
146.06015	0.7
147.04387	89.6
148.04733	1.6
162.06685	0.3
175.03920	0.3
190.68253	0.3
192.10170	100.0
193.10535	2.0
201.05463	1.3
203.40544	0.3
222.06764	0.3
290.05460	0.3
295.57983	0.3
305.08167	0.4
354.15497	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	354.1754
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	5.7
55.01853	7.5
57.03423	5.0
57.82541	1.6
61.02909	7.4
68.99753	1.9
69.03419	33.6
70.93552	4.9
71.04965	4.7
72.08165	1.9
73.02909	4.5
81.03410	26.5
85.02896	100.0
87.00820	40.9
91.05447	8.8
97.02885	30.0
99.04446	12.4
102.04653	2.8
103.05447	4.0
103.94572	1.5
105.01853	71.0
105.07012	5.2
107.04955	2.0
107.11234	1.7
109.02856	25.5
110.14256	1.6
112.21815	1.5
115.05423	2.9
119.04917	5.8
127.03905	64.2
129.01810	4.0
130.04121	6.1
131.04919	3.0
133.06479	2.6
137.05948	29.1
145.04951	26.5
145.06165	2.5
145.06445	2.0
146.03648	2.9
146.06029	1.9
147.04362	7.0
149.05980	4.0
150.06744	2.0
158.03596	3.8
159.02867	12.1
161.05936	9.2
162.06741	8.3
164.76334	1.9
172.01106	1.6
173.05951	6.3
175.03883	6.7
177.05481	5.7
177.06961	3.4
180.07845	2.2
186.03105	6.2
187.06024	4.0
189.03938	3.2
189.05457	2.6
189.06982	3.2
194.07233	1.9
201.05432	55.1
203.07016	3.5
205.06546	5.6
206.07248	5.6
213.03787	2.6
213.05609	1.9
217.06586	1.7
219.08092	2.2
222.06696	2.0
223.07579	2.1
231.04883	16.8
233.05995	5.2
234.06625	7.8
237.09032	2.4
245.05884	4.5
249.06093	4.9
249.09007	3.5
250.06273	3.4
251.07146	3.7
261.05615	2.6
262.06207	7.1
265.08585	5.2
268.26749	1.9
273.05435	3.3
276.07837	2.1
277.08640	10.6
290.05670	6.1
293.08127	2.9
294.08777	3.6
295.09518	2.7
305.08093	9.6
307.09625	3.4
309.11172	2.5
323.09061	12.2
325.10706	2.0
337.10605	10.0
354.14435	2.7
355.02304	1.8
355.07755	1.7
355.11667	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	354.118
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	0.6
55.05510	0.3
57.03433	0.8
61.02907	0.7
61.77981	0.3
65.03930	0.7
67.05497	0.7
69.03429	2.1
69.07052	0.4
70.06580	1.4
71.04974	0.5
72.08141	0.6
73.02897	1.2
75.19990	0.3
76.13173	0.3
77.15343	0.3
79.05519	0.4
81.03419	0.8
81.07033	0.4
84.04487	0.4
84.08128	1.0
85.02902	3.2
86.09692	0.6
87.04453	0.7
91.03945	0.4
91.05397	2.4
94.06561	4.7
95.04937	0.9
95.08538	0.4
97.02876	1.6
98.20689	0.8
105.03381	0.7
105.07032	0.4
109.02908	0.6
110.07156	1.2
112.11225	0.3
117.05713	0.9
118.05749	0.5
118.06536	5.7
119.04959	0.5
120.08060	0.3
121.02777	0.3
122.06027	4.6
127.03905	1.2
130.05028	0.4
134.05994	1.4
136.07581	0.7
145.04939	0.6
146.05995	15.5
146.07172	0.8
147.04379	1.3
147.06740	0.9
148.04720	0.4
148.07538	0.7
150.05475	1.1
162.05486	1.4
164.07043	6.5
174.05493	100.0
175.05917	1.9
176.07074	1.1
192.06537	52.5
193.06830	0.6
201.05475	0.4
230.59224	0.4
282.02536	0.4
285.01108	0.5
304.03497	0.3
332.31482	0.3
336.10892	0.9
337.07083	0.6
354.11798	41.2
355.12106	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.1445
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.3
55.05503	1.8
56.05012	1.9
60.04493	1.9
64.37899	1.5
67.05492	4.0
69.46840	13.9
70.06583	12.4
72.08130	6.1
73.04716	2.2
79.05453	2.8
79.47105	1.3
81.07027	1.8
81.68434	1.5
84.04489	4.2
84.08143	10.7
86.09708	10.0
88.03975	1.9
91.05373	12.9
94.06552	9.6
95.04948	3.4
98.20679	3.2
101.07133	1.5
102.04654	4.9
103.05447	9.7
105.03399	1.9
105.07043	7.0
106.04146	1.8
106.06516	2.7
107.04967	2.4
108.08078	2.2
110.07150	4.9
115.05437	3.8
117.06976	2.4
118.06512	3.3
119.04928	11.5
120.08096	7.0
121.06463	2.0
122.03617	4.8
122.06020	12.6
123.04366	2.2
123.06759	1.8
124.05192	2.4
124.07579	5.6
127.05025	3.6
129.06874	1.6
129.10225	4.3
130.04195	7.3
130.06514	100.0
131.04886	5.7
131.06851	2.3
132.08061	3.8
133.06465	5.7
133.07428	2.2
134.03542	1.5
134.05995	48.4
134.40762	1.4
135.04375	3.1
135.09171	2.4
136.06577	1.5
136.07573	16.6
137.05962	45.0
140.07056	3.3
143.04941	1.7
144.10211	1.7
145.06439	4.8
146.03586	2.0
146.05966	7.0
147.04416	18.2
149.05966	9.6
149.07082	3.4
150.05490	97.2
150.06564	3.7
151.05930	1.6
151.07452	2.0
152.07045	82.0
154.08601	5.4
154.31943	1.6
157.03932	1.9
157.06422	1.9
157.07599	5.1
158.03606	3.9
158.08366	6.8
159.09169	13.8
160.05220	2.6
161.05920	10.7
161.07112	7.9
162.03056	2.4
162.06723	18.8
162.07883	3.6
163.08656	46.3
164.07013	2.5
165.07031	1.3
165.95644	1.3
166.07350	2.0
168.06602	2.6
169.07620	3.5
171.04384	2.2
173.05911	7.2
175.03894	10.2
175.05194	1.7
175.07333	1.9
176.07109	1.6
177.05437	6.7
178.07697	3.2
179.08275	1.5
180.07887	4.3
181.09727	9.1
184.61797	1.7
186.03070	4.6
187.07393	1.7
188.04556	2.5
188.07094	4.1
189.06866	5.3
190.07719	2.0
191.08546	2.5
193.04906	4.5
194.07222	1.9
195.07948	1.7
201.05435	71.9
203.06956	3.7
204.07941	2.0
205.06496	8.6
205.09601	3.4
206.07208	4.1
207.07878	12.6
213.05374	3.2
217.06438	1.8
218.07317	3.3
219.07829	4.7
220.09886	1.9
221.06015	1.4
221.10957	1.4
222.06709	3.0
225.08659	45.7
231.06512	5.4
233.05923	4.5
234.06705	13.1
235.07500	3.8
237.08896	6.1
240.03004	1.9
245.05952	3.3
246.06795	2.5
247.07561	3.0
247.12180	3.1
248.09460	2.7
249.05313	2.2
249.10353	26.6
250.06242	3.6
251.06993	4.0
260.09326	1.9
261.05316	2.8
262.06204	7.8
263.06958	4.1
263.11746	9.2
265.08640	2.1
267.11282	14.1
273.05557	2.5
274.10800	1.8
275.11752	27.6
276.07693	2.1
276.12143	2.7
277.08652	14.6
279.06372	2.8
279.11362	8.9
280.07236	2.7
280.12115	4.2
281.12827	57.5
282.07706	1.5
285.00955	2.4
290.05661	8.0
292.07190	2.2
292.14407	23.4
293.07895	4.2
293.12793	23.6
294.08688	1.5
295.09537	2.9
303.17130	1.6
305.08185	15.1
307.05981	2.5
307.09677	3.1
309.07916	1.8
309.11127	5.3
310.15451	28.5
311.15793	1.8
319.09595	2.0
322.08350	3.1
323.09155	27.7
325.10510	4.2
337.06952	2.2
337.10544	15.9
354.10226	1.3
354.14398	27.7
355.07587	2.2
355.11615	14.0
355.15454	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	354.118
Annotation	OxIAA-Glc
Peak:m/z	Relative Intensity
53.03936	0.3
53.56483	0.2
57.03420	0.3
62.98780	0.2
69.03416	0.3
70.06573	0.4
70.92590	0.3
70.92931	0.4
72.08102	0.2
74.46970	0.2
77.03904	0.2
77.22308	0.2
77.85091	0.2
78.14336	0.2
78.73112	0.2
81.03409	3.8
85.02895	0.3
86.31911	0.2
109.02862	2.4
118.06509	0.7
128.04947	2.3
132.04439	1.9
146.05988	100.0
147.06323	1.4
153.17293	0.2
165.72565	0.2
174.05489	18.3
175.05901	0.4
176.60899	0.2
192.06528	11.6
193.06918	0.2
201.05547	0.2
213.62027	0.2
259.11880	0.2
289.98230	0.2
318.09720	4.4
336.10712	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2682
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.5
55.01850	6.2
55.05509	21.2
56.05828	2.7
57.03420	8.3
57.07060	11.5
60.04491	2.0
65.03939	3.4
65.08741	1.8
67.05136	4.7
67.05499	97.1
68.05827	5.9
69.03449	3.4
69.07061	20.7
70.06582	3.4
70.07381	2.9
71.04972	4.6
71.08624	11.5
71.74769	3.2
72.08955	3.0
79.05487	60.0
80.05814	3.9
80.75712	2.1
81.07046	100.0
82.07381	7.9
83.04980	2.9
83.08617	13.4
85.06542	5.9
85.10174	7.4
89.71088	2.2
91.05470	38.2
92.05834	4.9
93.07034	81.1
94.07366	6.0
95.04936	10.6
95.08593	76.8
96.08921	5.7
97.06530	6.0
97.10149	7.7
99.08084	8.4
105.07022	30.0
106.07333	5.1
107.08586	45.6
108.08902	4.8
109.06503	6.0
109.10139	32.4
110.10483	5.3
111.08112	3.4
113.09628	10.9
117.06992	14.0
119.08580	19.0
120.08918	3.5
121.10126	35.0
123.08047	2.6
123.11711	11.2
125.09617	5.0
129.06973	3.7
131.08572	25.8
133.10136	18.2
134.10437	2.2
135.08101	2.3
135.11681	27.6
137.05965	4.7
137.09578	5.5
137.13295	6.9
138.06299	4.7
143.08499	3.1
145.10120	16.0
147.11635	14.3
149.09618	5.5
149.13240	24.7
153.12787	3.1
154.12271	7.0
155.08496	2.9
155.12598	5.4
157.10176	2.7
159.11676	13.9
161.13232	12.0
162.09859	2.0
163.11137	4.5
163.14798	16.6
167.14284	2.3
169.10066	2.6
172.13383	3.9
173.13275	15.8
175.14873	3.8
177.12802	2.9
177.16373	7.2
179.14279	3.1
187.14842	8.7
191.14395	2.4
197.13557	3.5
233.22620	8.4
243.21112	27.4
261.22119	71.1
262.22482	5.5
276.20502	3.4
279.18643	2.5
279.22681	4.8
283.28482	2.1
293.23056	5.8
317.20642	2.3
325.07031	5.0
335.25677	2.2
353.06418	6.8
353.21155	4.0
353.25574	16.5
354.25708	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2682
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.2
55.01866	3.7
55.05506	26.1
56.05020	3.3
57.03430	16.4
57.07062	3.8
60.04528	3.5
60.71490	2.0
65.03930	3.5
67.05499	100.0
68.05840	2.0
69.03443	2.4
69.07059	24.3
69.30043	2.0
70.09438	2.1
70.38165	9.6
71.05009	10.1
73.08015	1.7
79.05492	37.6
81.07048	96.2
83.04956	3.0
83.08627	12.8
85.06583	2.1
90.82314	2.1
91.05471	18.5
93.07037	36.3
95.04962	4.5
95.08597	68.8
95.09200	4.1
97.06503	5.6
97.10161	7.1
99.08099	4.4
105.07034	12.1
107.08591	18.4
109.06507	3.0
109.10150	24.7
111.08097	4.9
119.08557	10.7
121.10139	17.8
123.11716	7.3
131.08522	6.6
133.10106	7.8
135.11664	12.0
136.37947	2.1
137.09624	3.3
137.13255	3.9
145.10121	4.2
147.11688	6.2
149.13245	7.4
154.12253	23.2
159.11684	5.0
161.13268	4.7
166.15897	2.3
172.13315	9.4
173.13223	2.4
182.84781	2.0
187.14787	3.9
196.13321	9.3
214.14563	1.9
228.97720	2.0
243.21098	2.4
261.22110	8.3
294.24139	2.5
308.25934	5.1
339.46371	2.2
348.48941	2.0
353.26825	32.4
354.26514	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	353.2681
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
51.16321	1.8
52.24747	1.7
53.03939	2.9
55.05502	16.2
57.03425	3.7
57.07057	3.5
65.03924	3.9
67.05499	94.1
68.05834	2.8
69.07049	17.3
71.04963	3.6
71.38002	3.4
79.05482	53.1
80.05798	2.2
81.07046	100.0
83.04955	3.4
83.08602	8.3
91.05464	27.6
93.07033	69.5
95.04948	3.8
95.08591	73.8
96.08954	2.5
96.11975	1.9
97.06502	2.9
97.10131	4.6
99.08084	2.2
105.07027	16.9
107.08584	45.6
109.10136	36.9
111.08051	4.2
113.09628	2.6
117.07030	12.3
119.08566	16.1
121.10131	35.9
123.11690	23.9
123.46017	1.9
131.08554	27.0
133.10133	15.2
135.11670	31.6
137.13231	6.0
145.10086	19.2
147.11685	12.5
149.13243	24.9
151.14790	2.8
153.12743	2.9
159.11688	16.2
161.13245	7.6
163.14784	14.8
173.13264	17.2
175.14832	5.5
177.16402	4.6
187.14734	9.4
193.78075	2.4
201.16293	3.9
233.22620	5.3
243.21045	20.0
244.21405	2.1
247.31296	2.1
261.22110	89.3
262.22467	5.8
279.23096	2.3
335.25723	5.7
353.26804	16.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2681
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30444	1.7
53.03930	4.1
55.05520	10.8
57.03428	6.5
57.07067	8.2
67.05498	100.0
68.05813	2.3
69.07063	13.2
70.00074	12.0
71.04988	2.6
71.08620	2.3
79.05489	56.6
81.07050	92.5
83.08599	7.0
85.06522	3.6
91.05464	24.7
91.56462	1.9
93.07036	67.7
95.04945	4.4
95.08598	72.6
95.09208	4.4
96.08966	2.3
97.06507	3.0
97.10149	4.2
98.20824	3.9
99.08093	5.2
99.95742	2.2
104.70409	2.1
105.07030	22.7
107.08579	41.2
109.10136	26.5
111.08022	2.3
117.07005	11.0
119.08562	14.9
121.10122	30.3
123.11703	13.8
131.08571	26.7
133.10141	11.9
135.11678	26.2
137.13246	9.6
145.10095	14.7
147.11702	10.2
149.13246	24.0
151.14798	3.1
153.12801	2.4
159.11707	13.1
161.13246	9.1
163.14815	19.8
165.16733	1.9
173.13234	18.0
175.14845	4.4
177.16354	5.6
179.14301	2.5
187.14755	12.5
197.69148	2.0
201.16362	2.9
205.15900	2.7
207.83426	2.3
233.22638	7.5
243.21072	32.9
261.22125	80.1
262.22446	4.6
279.23227	6.0
317.24542	2.0
335.25854	12.7
353.26859	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2684
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
53.03933	3.3
54.34901	1.0
55.01863	1.2
55.05506	12.3
55.31775	1.0
57.03420	3.5
57.07055	4.7
65.03924	3.1
67.05499	90.4
68.05852	1.2
69.07062	12.6
71.04976	2.3
71.08610	2.4
71.40282	1.0
74.70327	0.9
75.04486	1.1
79.05485	50.3
81.07048	100.0
83.04972	1.3
83.08610	8.5
85.06521	3.2
91.05473	25.5
93.07038	64.7
94.07380	1.5
95.04956	5.4
95.08598	69.1
95.99012	1.0
97.06496	3.6
97.10161	3.0
99.08087	1.5
105.07018	18.5
107.08582	40.2
108.08899	1.8
109.06504	1.6
109.10152	34.6
111.08074	2.2
113.09599	1.7
117.07030	10.0
117.87365	1.1
119.08569	13.0
121.10130	35.1
122.10437	1.1
123.08051	1.4
123.11694	18.2
125.09645	1.5
129.06995	1.2
131.08546	22.2
132.08821	1.6
133.10120	16.1
135.11671	29.3
137.09608	1.9
137.13220	8.9
139.11195	1.6
145.10107	14.8
147.11646	12.5
149.13248	21.5
151.14778	1.4
153.12747	1.4
159.11681	13.1
161.13194	9.0
163.14799	11.1
165.12781	2.1
173.13249	15.6
175.14818	3.6
177.12746	1.7
177.16356	4.2
179.14270	1.6
187.14819	9.9
201.16371	3.4
205.16034	1.3
215.17920	1.4
233.22699	3.5
243.21060	21.8
252.59082	1.1
261.22128	92.6
262.22495	5.6
279.23187	3.3
335.25769	8.1
353.26859	21.6
354.26779	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2682
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
52.58068	2.4
53.03935	2.8
55.05509	16.0
57.03433	3.3
57.07069	4.5
65.03922	3.4
67.05501	100.0
69.07053	13.2
70.15699	8.6
71.04976	2.8
71.09644	1.7
71.78590	1.9
79.05488	53.7
81.07050	94.6
83.08598	7.6
85.06525	2.1
91.05472	25.2
93.07035	61.5
95.04980	2.5
95.08598	69.1
97.06512	3.1
97.10142	4.2
98.21287	2.1
105.07016	23.7
107.07919	2.6
107.08587	37.5
109.06557	1.8
109.10143	35.1
117.07011	10.4
119.08570	15.5
121.10143	34.4
123.11676	18.9
131.08554	26.0
133.10126	14.4
135.11688	26.5
137.13248	6.2
141.26877	1.9
145.10100	14.6
147.11693	10.7
149.13245	21.6
159.11693	10.8
161.13214	7.5
163.14816	13.4
165.12784	1.9
173.13242	17.7
175.14804	2.6
177.16394	5.0
183.51320	1.8
187.14836	8.8
201.16359	2.8
215.17790	1.8
221.11359	1.9
233.22511	4.2
243.21082	19.6
261.22128	79.5
262.22461	4.9
270.79996	2.3
279.23196	2.5
335.25894	2.4
345.53555	1.8
353.26883	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	353.2683
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84945	2.0
53.03932	4.4
55.01871	2.6
55.05500	15.7
57.03420	3.9
57.07059	7.4
65.03938	2.8
67.05498	100.0
69.07054	17.0
69.24999	1.8
70.06575	2.0
70.38214	7.5
71.08618	4.8
73.00252	1.7
79.05484	65.8
79.68857	1.8
81.07048	98.1
83.05012	2.0
83.08594	9.0
85.06531	6.4
88.07628	3.0
91.05461	30.0
93.07034	76.7
94.96117	1.8
95.04956	4.2
95.08594	81.1
96.08944	2.2
97.06531	4.4
97.10175	3.7
98.21132	4.0
99.08070	5.6
105.07030	20.8
107.08578	48.7
109.10139	33.7
111.08083	2.9
113.09621	3.1
117.07020	13.1
119.08569	15.0
121.10141	42.7
123.08035	2.1
123.11712	14.5
131.08560	28.1
133.10112	13.0
135.11676	32.6
137.09595	3.5
137.13261	8.1
139.70058	1.9
145.10103	15.2
147.11600	10.1
149.09610	2.1
149.13226	25.2
151.14807	5.0
159.11710	13.9
161.13268	13.2
163.11087	2.1
163.14806	21.3
173.13223	19.5
175.14828	4.2
177.16386	6.9
187.14868	10.1
189.84880	1.8
201.16357	3.1
231.93040	1.9
233.22557	10.2
243.21066	35.3
261.22119	84.4
262.22498	3.3
279.23172	2.2
313.26550	2.1
322.29471	2.3
335.25742	9.9
353.26947	6.2
354.33594	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	353.2678
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	2.2
55.05498	13.0
57.03429	5.9
57.07062	4.7
65.03922	2.1
67.05492	83.5
69.07049	13.1
69.53255	10.1
71.04969	1.9
71.08626	1.2
79.05477	36.4
79.38602	1.1
80.05790	1.0
81.07039	100.0
82.07364	2.3
83.04966	1.3
83.08610	6.7
85.06521	3.2
91.05453	20.5
91.49556	0.9
93.07024	52.9
95.04953	3.0
95.08586	68.0
96.08902	1.4
97.06512	2.1
97.10152	4.3
98.20747	2.2
99.08070	2.7
105.07002	15.5
107.08572	35.7
108.08915	1.5
109.06501	1.5
109.10128	37.6
110.10480	1.1
113.09675	1.0
117.07009	9.9
119.08571	13.1
121.10120	26.7
123.08033	1.7
123.11682	21.9
131.08548	18.2
133.10115	13.6
135.11662	22.2
135.12636	1.9
137.09581	1.0
137.13202	7.2
145.10086	9.7
147.11641	9.6
149.13228	19.0
151.11235	1.2
151.14786	3.3
153.12665	1.7
159.11662	12.0
161.13226	9.0
163.14775	13.8
165.12811	1.5
173.13237	17.1
174.13605	1.1
175.14767	2.1
177.12738	1.3
177.16339	4.9
179.14220	1.8
187.14777	9.7
191.14290	2.8
201.16374	2.1
209.15239	1.0
219.17430	1.5
233.22585	3.9
243.21033	21.5
244.21309	1.3
261.22086	85.7
262.22421	6.7
263.23654	1.0
271.51913	1.0
279.23145	7.1
335.25726	11.6
353.26797	25.6
354.27328	1.9
354.33704	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2682
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95841	1.1
53.03931	3.1
55.05503	13.0
57.03427	5.7
57.07058	3.3
65.03924	3.8
67.05498	95.6
68.05822	2.2
69.07063	13.6
70.46651	3.0
70.47002	1.3
71.04980	3.1
75.04470	1.3
79.05482	40.7
81.07047	100.0
82.07366	2.0
83.04973	2.3
83.08618	6.7
85.06541	3.8
91.05464	20.6
93.07035	50.7
95.04974	3.0
95.08594	72.3
96.08940	1.5
97.06506	2.2
97.10151	2.6
99.08053	1.4
101.06992	1.1
105.07026	15.9
107.08579	33.6
109.06545	1.2
109.09399	2.2
109.10143	37.7
117.06998	8.1
119.08566	12.4
121.10127	28.3
123.08025	2.0
123.11685	17.3
123.12511	1.5
124.12096	1.0
124.38110	1.0
125.09617	1.6
131.08548	18.8
133.10115	12.1
135.11679	21.0
137.09666	1.5
137.13228	6.1
139.11203	1.1
145.10129	10.9
147.11682	8.9
149.13234	15.4
151.11140	1.2
151.14790	1.2
153.12714	1.7
159.11671	11.5
161.13246	8.7
163.14790	11.4
165.12772	1.3
167.08365	1.0
173.13249	13.3
175.14842	3.1
177.12715	1.9
177.16409	3.2
187.14769	7.2
189.16347	1.3
198.96568	1.0
201.16403	3.2
205.15891	1.0
214.28690	1.1
233.22577	3.3
243.21060	19.0
261.22122	74.4
262.22491	4.6
279.23126	6.0
295.65100	1.1
335.25812	8.8
353.26810	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	353.2684
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	2.9
55.05509	13.7
57.03436	6.6
57.07063	4.0
58.17973	1.1
65.03935	2.9
67.05500	82.5
68.05849	2.4
68.52187	1.3
69.07062	10.5
69.42116	5.0
69.42538	8.3
71.04992	2.0
71.08629	1.6
75.81432	1.4
77.03885	1.5
79.05489	36.7
81.07047	100.0
82.07364	1.3
82.97755	1.1
83.05035	1.5
83.08615	6.1
85.06535	2.7
85.87814	1.2
87.34752	1.2
91.05471	17.4
93.07034	50.3
95.04984	3.0
95.08598	69.2
97.06516	3.7
97.10180	1.8
98.20593	1.9
105.07025	14.2
107.08587	33.4
108.81009	1.1
109.06475	2.8
109.10153	32.1
111.08051	1.3
111.11689	2.1
117.07000	8.1
119.08588	9.6
121.10141	25.9
123.08081	2.2
123.11686	17.7
125.02116	1.3
131.08553	16.8
133.10121	13.5
135.11684	22.1
137.09633	1.4
137.13251	6.5
139.11171	1.8
145.10124	13.8
147.11711	10.2
149.13242	16.8
151.14781	2.1
153.12708	2.5
159.11659	11.3
161.13243	8.6
163.11108	1.5
163.14790	10.5
173.13232	12.9
175.14818	2.7
177.16400	3.5
187.14758	8.3
191.14194	1.3
201.16435	1.5
205.15892	2.0
233.22664	1.7
243.21040	19.0
261.22122	78.1
262.22482	4.9
272.38956	1.5
279.23163	6.9
279.94226	1.3
326.32458	1.2
335.25772	8.2
353.26871	21.2
354.27264	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2684
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19828	3.8
55.01861	4.9
55.05501	44.7
55.55635	3.9
57.03427	15.8
57.07067	9.4
63.77692	4.1
67.05142	5.5
67.05501	88.9
69.07066	46.1
70.97934	14.0
71.04956	8.2
71.08626	39.9
74.25848	4.1
79.05483	53.1
81.03416	4.7
81.07048	100.0
83.04984	8.5
83.08608	21.3
85.06520	6.2
91.05467	30.0
93.07048	57.6
93.39356	3.6
95.04948	4.8
95.08601	77.1
97.06525	9.9
97.10168	16.3
99.08090	34.7
105.07034	27.4
107.08575	40.1
109.06536	5.8
109.10152	42.1
117.07028	9.7
119.08589	12.9
121.10132	28.6
123.08047	4.7
123.11703	16.0
125.09600	9.3
131.08556	18.7
133.10135	10.8
135.08089	4.1
135.11659	29.3
137.13222	8.0
145.10126	13.2
147.11711	21.2
149.09698	4.2
149.13229	14.0
153.12709	7.6
155.08467	4.4
159.11688	4.3
161.13269	7.7
163.14757	11.5
165.12779	5.6
168.27219	3.8
173.13196	9.4
175.14862	6.0
177.16460	4.4
187.14777	6.2
189.11295	7.6
233.22633	5.6
243.21104	18.5
261.22131	40.6
279.23093	20.2
297.07422	3.9
325.07040	4.4
352.46637	4.5
353.06357	5.2
353.27151	55.8
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	Unknow
Peak:m/z	Relative Intensity
51.50388	3.9
54.29274	4.1
55.01855	7.8
55.05508	40.1
57.03424	16.4
57.07061	20.8
67.05499	81.0
69.03405	6.3
69.07063	57.3
69.89889	4.7
70.06593	5.2
70.56742	8.8
70.57146	7.6
71.08615	26.0
79.05499	39.2
81.07050	100.0
83.04970	8.3
83.08613	30.7
83.48208	4.4
88.07600	11.7
91.05462	18.1
93.07032	51.8
95.08598	67.8
97.06508	10.2
97.10167	19.7
99.08057	14.0
105.06999	12.3
107.08594	44.4
109.10152	36.0
111.08072	6.0
111.11690	4.6
119.08583	11.6
121.10133	17.9
123.11704	15.2
125.09599	12.1
131.08568	8.1
133.10104	11.2
135.11670	25.7
137.13208	11.4
145.10097	6.3
147.11702	7.7
149.02290	16.9
149.13269	9.0
153.12720	16.7
158.03526	3.7
159.11740	5.0
163.14783	11.6
172.95233	4.4
173.11720	7.3
173.13196	7.7
175.14609	4.4
177.95630	3.9
191.14308	4.6
193.04964	40.2
200.64778	4.1
238.67055	6.8
243.21048	8.3
247.71097	3.8
256.26337	6.8
261.22049	29.7
279.23190	30.7
284.29388	6.4
324.12100	4.5
336.32724	5.0
353.26572	33.1
353.29486	30.6
353.79523	33.3
354.26779	6.6
354.33664	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	353.2682
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.2
55.01866	3.7
55.05506	26.1
56.05020	3.3
57.03430	16.4
57.07062	3.8
60.04528	3.5
60.71490	2.0
65.03930	3.5
67.05499	100.0
68.05840	2.0
69.03443	2.4
69.07059	24.3
69.30043	2.0
70.09438	2.1
70.38165	9.6
71.05009	10.1
73.08015	1.7
79.05492	37.6
81.07048	96.2
83.04956	3.0
83.08627	12.8
85.06583	2.1
90.82314	2.1
91.05471	18.5
93.07037	36.3
95.04962	4.5
95.08597	68.8
95.09200	4.1
97.06503	5.6
97.10161	7.1
99.08099	4.4
105.07034	12.1
107.08591	18.4
109.06507	3.0
109.10150	24.7
111.08097	4.9
119.08557	10.7
121.10139	17.8
123.11716	7.3
131.08522	6.6
133.10106	7.8
135.11664	12.0
136.37947	2.1
137.09624	3.3
137.13255	3.9
145.10121	4.2
147.11688	6.2
149.13245	7.4
154.12253	23.2
159.11684	5.0
161.13268	4.7
166.15897	2.3
172.13315	9.4
173.13223	2.4
182.84781	2.0
187.14787	3.9
196.13321	9.3
214.14563	1.9
228.97720	2.0
243.21098	2.4
261.22110	8.3
294.24139	2.5
308.25934	5.1
339.46371	2.2
348.48941	2.0
353.26825	32.4
354.26514	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	353.2541
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.5
55.05498	2.7
55.93522	1.7
56.05016	1.2
57.03413	1.3
60.04516	1.3
61.02909	2.2
67.05492	3.8
68.05009	1.1
69.03427	2.3
69.07043	2.0
70.06212	2.2
70.06583	27.3
70.64781	1.8
70.65164	2.0
70.89420	1.1
72.08144	20.6
72.93779	1.2
73.02889	1.5
79.05489	2.8
81.03419	2.6
81.07048	3.2
83.01313	1.5
83.06087	1.1
83.08602	1.8
84.04485	2.7
84.08130	3.7
85.02888	4.2
86.09689	3.1
91.05468	3.2
93.07027	1.5
95.04974	2.4
95.08578	1.6
97.02836	1.1
97.07650	8.0
98.09689	3.1
103.03917	1.7
105.07037	2.4
107.04943	2.3
108.08132	1.6
110.07159	2.2
110.09695	1.0
111.05546	1.1
112.08720	9.3
112.11243	1.0
114.10281	67.2
114.12772	1.5
116.07087	1.5
117.06965	2.7
119.08537	1.6
119.62111	1.1
120.08095	2.2
121.02803	1.0
123.08089	1.1
127.03891	1.4
129.10266	1.2
132.95840	1.9
134.09703	1.5
135.04422	3.4
136.07581	2.6
137.02327	18.8
144.95815	1.3
145.02821	2.0
145.10124	3.9
147.04431	3.1
149.02267	1.0
151.03854	0.9
151.23441	1.0
152.14323	5.6
161.02335	4.0
163.03880	2.9
164.06960	2.4
173.02304	1.5
174.96861	2.4
175.98286	1.0
176.01024	3.3
181.04901	3.8
184.97780	1.0
190.02657	1.5
191.03372	11.6
194.02130	3.1
198.18498	1.0
201.01691	1.2
206.15421	1.3
206.19006	1.1
207.00223	1.2
207.02863	1.5
208.03571	1.3
209.04443	1.5
211.19138	4.9
215.03328	1.1
216.00677	1.7
219.02820	7.8
224.16391	1.5
226.00775	1.1
231.01218	1.4
232.20586	4.0
238.12642	1.1
249.23244	1.4
250.21635	2.8
255.01256	1.9
264.01791	2.2
265.23901	12.9
273.02182	3.0
274.22757	1.4
282.02768	8.6
282.52969	1.7
285.02249	1.2
291.25314	3.1
293.53604	1.3
295.06076	1.9
296.06693	1.8
297.07544	7.3
306.02509	1.1
307.05994	1.6
308.19504	1.0
309.26401	4.1
310.04654	21.0
311.05276	2.4
323.05472	4.2
324.06201	10.0
325.07034	14.0
326.07452	1.9
335.05511	7.8
335.12292	2.6
341.06537	2.1
353.06534	100.0
353.12772	6.4
353.20654	2.2
353.25391	2.0
354.06955	9.9
354.11053	1.8
354.20047	2.5
354.23981	1.9
363.53656	1.2
372.26465	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2319
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	3.0
55.05503	8.3
57.03429	5.5
57.07067	2.5
57.72317	1.1
67.05495	12.2
69.03410	1.6
69.07071	5.0
71.04997	1.3
71.75483	1.4
79.05489	9.4
81.06612	1.2
81.07054	13.6
83.04975	3.5
83.08621	5.6
85.06523	1.2
88.07637	1.7
91.05475	4.3
93.07032	9.4
95.04955	2.1
95.08592	8.5
97.02890	4.2
97.06502	2.9
97.10159	7.4
105.07030	3.0
107.08584	7.9
109.10148	4.8
109.78225	1.0
110.03637	1.5
111.04418	1.5
111.08086	1.1
117.05455	2.6
117.07062	1.4
119.08566	2.4
121.06500	2.0
121.10114	4.5
123.11745	1.9
125.09598	9.3
127.07536	8.4
131.08511	3.2
133.10100	3.3
135.08023	1.5
135.11664	4.9
139.07526	100.0
140.07832	1.6
142.21306	1.1
145.10089	1.1
147.11627	1.3
149.02318	2.9
153.09061	1.3
153.12715	1.9
154.61600	1.0
163.11200	1.8
166.08510	1.2
171.10123	1.7
181.12299	2.0
189.11198	18.3
193.04958	4.4
193.12230	2.6
219.13725	3.2
238.67168	1.0
243.21225	2.4
261.22192	6.8
289.17950	5.6
300.23544	1.0
307.18967	21.9
325.06934	2.2
353.06506	2.9
353.29333	7.6
353.79327	4.0
375.18799	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2293
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83872	0.4
55.05498	0.6
67.05487	1.7
69.07036	0.4
70.06568	0.6
71.54371	0.6
71.54711	0.4
77.00872	1.0
79.05481	0.4
79.91615	0.4
81.07048	0.9
81.19131	0.3
85.02863	0.4
91.05454	0.4
93.07030	0.7
95.01338	0.5
95.01919	0.7
95.08582	0.5
105.07062	0.4
107.08579	0.5
135.11636	0.5
141.01808	0.5
175.46071	0.4
177.12743	0.5
195.09966	0.6
201.09721	1.2
213.09654	2.6
215.11279	0.7
219.10793	0.7
231.10716	4.0
233.12344	0.6
236.11195	0.4
241.09196	0.7
242.10013	0.6
243.14348	1.0
253.12988	0.6
271.13834	0.6
272.69608	0.4
317.19604	0.4
321.11212	0.5
335.20630	5.2
336.21066	0.4
353.22934	100.0
354.23288	3.8
358.22144	0.7
371.22690	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1955
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.5
55.01862	1.2
55.05490	2.7
56.05006	0.9
57.03428	2.9
60.04515	1.2
61.02911	2.7
65.03922	1.0
67.05485	3.2
68.04994	0.8
69.03423	17.5
69.07058	13.6
70.06229	0.6
70.06586	11.0
70.32144	2.6
70.51971	0.5
71.04974	2.4
72.08152	9.6
72.93785	0.9
73.02895	1.9
78.83266	0.5
79.05480	3.4
80.05003	1.2
81.03403	4.2
81.07042	6.1
83.04970	2.9
83.08592	2.9
84.04502	1.6
84.08144	2.9
85.02895	13.7
85.06512	1.0
86.09670	1.6
90.94791	0.8
91.03956	0.7
91.05467	9.5
92.05792	1.1
93.07039	4.5
95.04947	1.8
95.08598	6.9
97.02860	3.8
97.06534	1.3
97.07625	2.4
98.09661	0.7
99.04414	1.1
102.05502	0.7
103.03930	1.7
103.05445	1.0
105.07016	6.3
106.06555	1.0
107.04950	1.4
107.08594	10.9
109.02856	1.8
109.06506	4.0
109.10126	1.0
110.07137	1.8
111.08080	5.3
112.08726	4.0
114.05518	0.7
114.10285	25.5
115.05444	0.9
116.07062	1.1
117.06990	2.7
118.06549	0.7
119.04906	1.0
119.08574	7.4
120.08072	1.7
121.06466	2.9
121.10137	7.7
122.06007	1.4
123.04398	1.0
123.06364	0.7
123.08064	5.8
124.11192	0.6
127.03923	4.2
129.06987	0.8
129.10255	1.1
130.05000	1.5
131.04924	0.9
131.08560	8.3
132.08905	1.1
132.95798	1.7
133.06482	1.5
133.10124	6.9
135.04437	1.1
135.08041	15.8
135.11707	3.5
136.07571	1.9
137.02328	6.9
137.09593	0.7
143.08528	2.3
144.95834	0.8
145.02815	0.7
145.04887	1.5
145.10120	3.8
146.05981	1.3
147.04358	1.9
147.07997	1.9
147.11688	2.9
149.09622	5.5
149.13258	3.0
150.96870	1.3
152.14325	1.6
158.10892	4.4
159.11615	1.1
161.02356	1.1
161.09625	1.2
162.05498	0.8
163.03867	1.6
163.11241	1.0
163.14819	3.0
163.62587	0.6
164.07022	1.0
171.07932	0.9
173.02272	0.8
173.13242	18.0
174.13585	1.2
174.96873	2.1
175.03911	0.8
175.14885	0.7
176.01012	1.4
176.07024	0.7
177.01749	0.8
182.08139	0.7
191.01964	0.7
191.03448	3.8
191.14291	100.0
192.06531	2.3
192.14632	6.3
194.02176	0.9
203.07112	1.1
207.00121	1.0
207.06558	1.7
209.04506	1.1
209.15388	0.9
211.19138	1.7
219.02914	2.1
222.00629	0.8
231.04880	0.7
234.00595	0.7
249.01181	0.7
255.00963	0.8
264.01849	0.8
265.23843	5.4
282.02655	4.3
282.53018	0.8
288.02805	0.8
293.10675	0.8
293.53604	1.3
297.07581	1.7
298.07599	0.7
307.06128	1.1
309.26541	1.5
310.04681	4.8
323.05331	1.2
323.08969	0.7
324.06274	3.3
325.06918	4.7
335.05423	2.5
335.11826	2.1
353.06503	29.1
353.12326	7.5
353.19785	7.8
353.26019	0.8
354.06937	3.0
354.11963	2.0
354.19992	2.2
362.05609	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.159
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	10.2
55.01863	36.6
55.05505	35.4
57.03418	10.5
57.07058	4.3
59.05001	4.7
61.02923	2.8
65.03956	4.5
67.05499	81.7
69.03424	17.7
69.07059	30.3
70.06568	8.0
70.80868	4.3
70.81233	9.5
71.04972	9.3
72.08172	2.7
73.63234	2.7
76.58539	2.8
76.62321	3.4
79.05483	74.8
81.03404	66.9
81.07045	100.0
83.01310	6.0
83.04952	15.0
83.08599	13.9
84.04463	3.3
85.02878	15.4
85.06522	8.8
85.37292	3.1
86.09675	3.6
87.04491	3.0
91.04916	6.5
91.05466	85.9
91.06034	6.1
93.03365	6.2
93.07026	89.2
95.01318	20.2
95.04948	52.3
95.08591	61.0
97.02891	8.6
97.06495	16.8
97.10166	13.4
99.04405	4.2
99.08061	5.8
103.05442	6.5
105.07018	62.7
107.04949	27.7
107.08582	48.4
109.02837	7.2
109.06512	17.7
109.10146	29.1
111.04440	3.8
111.08052	8.1
113.02335	9.9
115.05434	13.0
117.06992	28.5
119.04904	11.1
119.08556	41.3
120.08121	3.2
121.02830	8.1
121.06502	32.6
121.10139	27.9
123.04418	10.9
123.08051	13.4
123.11671	10.4
125.02343	8.3
125.05968	4.3
125.09638	10.0
127.03872	4.5
128.06142	5.1
129.07010	24.7
131.04897	12.3
131.08542	37.9
133.06459	19.5
133.10112	32.3
135.04413	14.4
135.08038	21.3
135.11665	25.8
137.02309	5.9
137.05951	9.4
137.09605	14.6
137.13165	4.3
139.03900	5.2
141.01799	11.5
141.06976	11.9
143.08568	14.8
144.08055	6.0
145.06422	11.6
145.10112	33.9
147.04399	20.2
147.08029	11.0
147.11653	24.1
149.02332	3.9
149.05962	10.4
149.09572	13.9
149.13205	29.8
151.03882	5.5
151.07500	8.5
151.11136	9.6
151.12328	3.1
155.08553	8.0
157.06483	6.0
157.10110	8.3
159.04384	4.7
159.08031	7.2
159.11670	36.0
161.05962	13.6
161.09573	9.9
161.13229	12.7
163.03888	16.1
163.07549	7.1
163.11240	6.1
165.05530	5.7
165.09114	4.6
167.06984	10.1
169.10063	8.5
171.08078	5.1
171.11720	16.5
173.06012	8.8
173.09610	5.8
173.13248	8.3
175.07481	3.5
175.11165	6.9
177.05544	4.7
177.09100	4.8
177.12723	42.2
179.10661	4.9
179.14308	5.4
183.11676	8.1
185.09569	3.3
185.13321	5.5
187.07529	4.3
187.11166	6.6
187.14774	5.3
189.12703	13.8
191.07028	10.4
191.10655	6.4
191.14340	5.8
195.11668	5.4
195.13731	6.6
197.13327	6.9
199.11160	9.9
199.14841	4.2
201.12679	6.7
203.10577	5.8
205.12155	8.1
207.11743	5.6
207.13757	45.2
211.11226	4.1
215.14247	10.7
217.12173	4.2
219.11900	3.8
219.13734	5.9
221.13509	3.9
225.12712	7.7
227.14221	4.7
229.12271	6.3
231.07967	4.3
233.11729	4.2
233.15417	5.0
235.13249	6.7
243.13748	12.0
245.15369	4.6
247.13161	5.4
253.12143	5.7
255.13953	3.9
261.09055	7.5
261.14810	42.8
269.13940	5.9
271.13226	13.5
273.15024	6.5
279.15991	4.4
289.08548	6.6
289.14276	57.0
291.15854	7.7
293.11642	6.4
297.07654	5.0
299.12698	11.0
307.15350	32.7
317.13620	14.8
317.24527	4.1
321.10992	20.9
322.11578	4.6
325.07077	15.7
325.16589	9.9
335.14862	15.0
335.22244	5.1
338.11386	4.0
353.06635	16.8
353.13940	17.3
353.20749	7.4
353.24704	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	353.1592
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	15.9
55.01860	37.6
55.05501	29.9
57.03417	8.9
67.05504	89.4
69.03403	10.7
69.07049	28.5
69.97945	10.2
69.98263	42.6
70.06581	17.0
71.04983	10.2
71.08643	7.5
72.08141	7.7
72.52394	7.0
79.05481	83.8
81.03403	55.9
81.07052	100.0
83.04980	13.1
83.08613	11.4
84.08136	11.4
85.02911	12.1
85.06549	13.7
91.05462	97.0
93.07044	94.9
95.01321	22.2
95.04951	47.0
95.08600	53.4
97.06524	17.2
98.21361	10.3
103.05460	20.8
105.07010	61.8
107.04946	53.0
107.08579	38.0
108.24068	7.8
109.02845	11.4
109.06499	17.3
109.10148	20.4
111.04408	12.4
113.02386	7.6
114.75050	8.5
115.05468	16.2
117.07018	37.6
119.04913	17.6
119.08596	40.8
121.02888	16.7
121.06474	30.5
121.10101	23.3
123.04459	14.0
125.02348	12.8
125.05918	8.2
127.03918	9.7
128.06210	14.1
129.07008	34.0
129.10152	9.2
131.04939	24.9
131.08566	41.8
133.06421	18.4
133.10115	34.6
135.04379	21.2
135.08018	13.2
135.11667	29.9
137.05919	15.1
141.01820	12.0
141.06940	9.2
143.08580	12.9
145.06421	21.7
145.10071	16.6
147.04364	27.0
147.08032	25.6
147.11678	20.1
149.05952	17.4
149.09506	10.0
149.13261	26.4
151.03908	8.8
157.10118	14.6
159.08069	8.2
159.11678	29.0
161.05963	23.9
163.03874	19.6
165.05486	8.0
165.12811	7.9
167.07053	48.2
169.10056	12.6
171.11702	21.0
173.06026	11.4
175.11107	9.5
177.05458	9.2
177.12811	35.6
189.06996	7.5
189.12729	9.6
190.07736	11.0
191.06964	49.7
199.07533	16.2
207.11909	8.1
207.13733	34.3
215.08597	12.1
217.12199	9.4
218.07234	18.4
221.05960	9.6
222.06511	8.2
231.07947	8.4
233.09544	12.1
233.15367	12.2
243.13835	14.1
245.15378	8.2
246.06731	15.6
247.13298	9.6
250.06177	7.7
250.09587	8.9
253.12288	9.8
261.09055	24.3
261.14838	51.1
263.07010	8.0
264.07916	10.2
271.13263	21.2
272.35757	7.2
273.14716	7.7
277.08679	14.7
277.14627	7.4
278.05743	7.3
278.09183	15.4
279.10352	6.9
289.08649	26.3
289.14377	89.0
291.15674	8.3
293.08279	13.7
293.11530	12.3
299.12726	15.1
306.08752	8.6
307.15335	50.4
317.13803	20.0
321.07474	78.9
321.11172	61.6
322.11636	12.3
325.16498	12.8
335.14883	11.2
353.10095	16.2
353.13696	74.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1379
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58339	1.2
50.80246	1.2
52.85374	1.2
55.01873	1.9
55.05506	4.0
57.07054	1.9
58.06594	1.4
59.80530	1.3
62.55411	1.2
67.05499	7.9
68.05833	2.0
69.03423	1.6
69.07061	3.8
71.04979	3.8
71.08638	1.5
71.75278	1.5
72.08157	1.1
77.03962	1.4
77.48183	1.2
79.05491	11.5
80.05823	1.2
81.03394	1.6
81.07041	9.8
82.07362	1.7
83.08595	1.6
84.08162	5.9
85.08509	1.9
91.05463	9.0
93.07030	8.5
95.04967	5.3
95.08588	8.0
100.34978	1.3
105.03392	1.5
105.07014	4.5
107.04932	2.4
107.08601	5.1
108.60288	1.1
109.06493	1.2
109.10158	3.9
111.04423	1.2
115.05470	4.1
117.06999	3.7
119.08564	4.0
120.68874	1.2
121.06504	1.5
121.10159	3.4
123.11718	2.3
128.06186	1.6
129.07014	6.6
131.04895	2.4
131.08553	3.6
133.10120	2.5
135.04401	100.0
135.11656	2.1
136.05133	4.5
137.13307	1.2
139.07542	2.4
141.06989	1.4
143.04907	1.6
143.08617	1.4
145.06477	3.9
145.10085	2.3
147.04388	2.2
149.02287	1.4
149.05940	6.5
149.09607	1.7
149.13264	2.1
151.07533	31.3
153.06926	1.2
157.06485	7.8
157.10164	1.3
158.07254	5.2
159.04517	1.7
159.07985	1.6
159.11688	3.0
161.05972	2.0
163.03938	2.4
165.05504	2.9
165.09114	3.2
166.05298	1.8
172.08856	5.5
173.05975	14.8
173.09740	1.3
174.06638	2.5
175.03909	6.2
175.07532	2.9
179.06996	4.7
179.08455	2.1
181.06534	3.1
184.06401	2.6
185.06024	4.4
187.07568	4.4
188.08313	9.1
189.09085	7.1
190.09883	2.0
191.07025	1.8
191.08604	1.7
193.08627	2.5
197.06088	1.7
199.07549	4.7
201.09084	32.0
202.07753	3.1
203.08548	3.6
203.10663	13.3
207.08165	2.9
209.05974	6.4
211.07573	2.3
213.09122	2.8
215.06888	3.0
215.08694	2.6
218.07291	2.9
219.08043	7.5
225.05510	5.2
225.09081	5.8
231.08020	6.6
231.10162	20.5
232.08766	1.3
233.09662	6.8
234.06763	1.3
234.10353	2.4
235.07611	3.9
237.05402	5.4
238.06084	1.6
239.07018	9.0
243.20996	1.9
245.09630	4.6
246.06705	1.7
246.10341	6.7
247.07623	5.9
249.09145	4.4
251.06985	3.5
252.07782	19.1
253.04979	6.4
253.08409	1.4
259.07523	3.4
260.08243	3.6
261.09137	10.0
261.22113	2.8
262.06555	1.1
262.09854	5.8
263.07013	2.9
265.08545	2.1
265.12234	3.0
267.06506	4.6
268.07275	13.4
272.08279	1.7
273.09024	4.9
274.09915	5.6
275.06989	3.8
275.10767	1.2
276.07916	1.8
276.20313	1.4
277.08615	5.6
277.12259	10.1
278.09344	1.9
279.06543	2.1
282.08823	21.4
283.09610	36.3
288.07755	2.0
289.08533	18.3
290.09290	4.8
291.10016	2.3
292.10989	3.6
293.08298	2.1
293.11716	5.2
293.23157	2.0
295.09683	10.3
295.12863	2.1
297.07410	1.3
299.34146	1.3
303.10098	12.5
304.10904	28.1
305.08023	4.9
305.11694	18.2
307.09464	1.3
308.10474	8.1
309.11163	4.0
319.09567	1.9
320.10330	11.6
323.12701	14.2
325.06943	3.1
325.14227	3.2
335.12732	41.6
335.24121	5.9
336.13092	2.6
353.06503	5.1
353.13745	23.4
353.21130	5.5
353.25351	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	353.1378
Annotation	Daldinone D
Peak:m/z	Relative Intensity
51.28574	1.6
53.69921	1.2
55.01862	1.9
55.05502	3.7
56.56488	1.5
57.07063	2.1
59.33457	1.5
60.04515	1.4
60.39835	1.3
62.06068	3.1
65.03925	1.6
66.05303	1.2
66.44268	1.2
67.05506	7.5
69.07040	5.3
71.04968	4.5
71.37059	1.7
71.37399	2.8
74.55544	1.3
79.05484	14.8
80.05001	1.7
81.07050	10.2
83.04973	1.5
83.08637	2.1
88.83385	1.4
91.05486	7.5
93.07033	7.8
95.04942	2.3
95.08595	5.1
105.03383	2.0
105.07016	6.5
107.04929	3.8
107.08579	3.4
109.10125	4.4
115.05455	2.2
117.07005	3.1
119.08566	3.9
121.06516	1.8
121.10148	2.0
123.08039	1.7
129.06992	7.4
131.04930	3.3
131.08563	4.1
133.02802	2.4
133.10112	2.5
135.04399	100.0
135.11618	1.5
136.05048	4.5
143.04901	2.3
143.08583	2.9
145.06444	4.6
147.04364	3.3
147.11681	1.7
149.02301	2.1
149.05980	4.9
151.03925	1.6
151.07535	37.1
151.08737	2.4
157.06476	8.6
158.07224	4.4
161.05960	2.4
165.09111	2.7
172.08818	6.2
173.05948	18.2
174.06573	2.1
175.03883	5.2
175.07578	3.1
177.09106	2.1
179.06995	5.8
181.06474	3.6
183.11874	1.7
185.05931	5.9
187.07553	5.3
188.08313	12.2
189.09085	6.2
190.07816	1.7
190.09863	2.6
191.07051	1.6
193.08585	2.7
197.05939	1.8
199.07503	2.4
201.09096	38.5
202.07751	2.8
202.09431	1.6
203.08679	3.3
203.10640	15.7
204.28584	1.5
209.05992	5.5
211.07544	3.0
213.09079	5.8
215.06897	2.4
219.08032	6.5
221.09575	1.9
223.15244	2.4
225.05423	4.7
225.09099	5.2
231.07971	6.3
231.10135	20.7
233.09698	6.8
234.10231	2.8
234.61893	1.7
235.07368	3.4
237.05420	4.4
239.07068	8.9
245.09525	4.0
246.06755	1.8
246.10298	8.1
247.07495	10.5
248.08261	2.0
249.09122	2.3
250.09795	1.7
251.06987	4.0
252.07791	21.5
253.04872	7.2
253.08360	2.4
259.07593	4.7
260.08319	2.6
261.08997	8.7
261.22073	2.8
262.09909	6.9
263.07028	3.2
265.08536	2.3
265.12280	3.7
267.06522	4.4
268.07318	16.1
273.09094	4.4
274.09875	5.0
275.07071	2.5
275.10446	1.9
275.19821	2.0
276.07855	3.2
276.20303	4.3
277.08591	4.9
277.12155	8.7
278.09244	1.8
279.06564	2.9
280.07324	1.9
282.08838	23.7
283.09616	37.7
289.08536	19.3
290.09161	5.8
291.10086	3.7
292.10757	6.9
293.08301	2.5
293.11694	5.9
293.23056	6.8
295.09625	11.7
303.10144	12.8
304.10886	25.9
305.08060	5.8
305.11633	19.8
308.10403	9.9
309.11127	2.5
310.11829	1.7
320.10486	10.9
323.12714	16.6
325.07175	1.8
325.14316	2.7
335.12726	36.9
353.06546	2.9
353.13809	21.8
353.24957	7.7
354.14096	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.0657
Annotation	Daphnoretin
Peak:m/z	Relative Intensity
51.06296	0.1
51.42268	0.1
53.03936	0.2
54.40900	0.1
55.01854	0.3
55.05504	0.1
65.03925	0.5
65.10477	0.1
67.05499	1.8
68.99777	1.4
69.03425	0.1
70.06577	0.3
70.22302	0.5
72.08144	0.2
75.71513	0.1
77.03930	0.1
79.05485	1.8
81.03414	0.6
81.07021	0.2
84.08140	0.2
86.55718	0.1
89.03916	0.7
91.05464	0.8
93.03391	0.4
93.07028	0.2
95.04955	3.8
95.08611	0.2
105.03398	0.3
105.04488	0.1
105.07011	0.1
107.04942	3.5
107.08561	0.1
108.05217	0.1
109.02851	0.2
109.10101	0.1
111.04434	0.2
117.03378	0.6
119.04926	0.3
119.08537	0.1
121.02850	1.8
121.06476	0.1
123.04429	0.6
128.24272	0.1
131.01282	0.1
131.04945	0.1
135.04401	7.4
136.04762	0.1
137.02333	4.9
137.03435	0.3
137.05911	0.2
137.09586	0.1
138.02725	0.1
145.02826	1.4
145.10130	0.2
147.04405	0.3
148.01506	0.1
149.02344	0.7
152.06218	0.2
152.14301	0.1
153.05438	0.1
159.04385	0.1
161.02316	4.8
161.05956	0.3
162.02792	0.1
163.03882	19.6
164.04230	0.5
165.01868	0.2
165.05574	0.2
165.06981	0.3
167.03433	0.5
167.08531	0.2
173.02316	0.4
175.03896	0.2
176.01025	0.7
177.01868	0.2
177.07007	0.2
179.03345	0.3
181.04942	7.2
181.06325	0.3
182.05171	0.1
183.02866	0.1
183.08072	0.2
187.03929	0.1
189.01772	0.3
189.05502	0.1
190.02620	0.3
191.03372	9.7
192.03749	0.3
194.02142	0.4
195.02934	0.1
195.08098	0.5
203.03397	0.2
205.06442	0.4
206.07042	0.1
208.03667	0.1
209.04405	1.8
210.06721	0.1
211.07565	0.3
213.05449	0.1
219.02834	0.4
223.07555	0.5
226.06245	0.3
227.07011	0.2
229.08675	0.1
233.05943	0.2
236.04506	0.1
237.05412	0.3
239.07118	0.1
241.08614	0.1
245.04442	0.4
251.07002	0.9
253.04921	0.2
254.05785	0.5
255.06456	1.3
261.05429	0.2
265.04965	0.1
267.06631	0.1
268.07248	0.4
269.08029	1.3
279.06488	1.4
280.06900	0.2
282.05200	0.7
283.05948	1.5
284.06384	0.1
286.04727	0.3
295.05981	4.0
296.06549	0.6
297.07544	33.9
298.07925	2.0
299.05444	0.4
307.05978	1.3
308.06766	0.2
309.07599	0.1
310.04703	2.1
311.05408	0.9
323.05490	0.8
324.02490	0.1
324.06223	2.2
325.07016	84.7
326.07364	5.7
335.05423	0.2
335.22226	0.1
353.06503	100.0
354.06830	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	352.2477
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	5.4
55.01871	5.8
55.05505	18.4
55.61344	2.2
56.05027	6.9
56.96554	3.4
57.03433	2.5
58.06588	2.6
60.04510	10.8
65.03919	3.2
67.05500	31.5
68.05006	3.2
68.05801	3.2
69.03413	2.3
69.07052	30.1
70.04053	4.1
70.06567	4.9
71.04983	7.5
71.08614	2.8
71.75378	4.6
74.06069	10.4
79.05490	41.5
80.05014	32.1
81.07041	39.8
82.06570	3.7
83.04971	3.5
83.08605	8.1
86.92979	2.6
91.05466	31.1
92.07107	9.9
93.07027	24.9
94.06574	16.0
95.04960	11.1
95.08598	20.4
96.08936	3.2
97.06495	4.6
97.10168	11.1
105.03409	3.5
105.07024	25.3
106.06552	3.3
107.04958	3.6
107.08573	25.7
108.08113	9.4
108.08862	3.8
109.06509	3.9
109.10132	9.6
111.08053	4.4
115.05438	3.8
117.07001	10.6
119.08574	20.6
120.08072	5.2
121.10130	10.9
122.09646	3.4
122.10473	3.1
123.11725	2.7
124.11243	3.5
125.09615	9.0
129.07002	9.9
131.08556	13.4
133.10115	17.0
135.04401	100.0
135.08081	3.5
135.11655	3.6
136.05182	5.1
137.05984	3.0
138.12767	2.6
141.06923	3.2
143.08556	4.2
145.06422	3.4
145.10088	9.6
147.04462	4.1
147.11676	11.0
149.02313	3.1
149.05981	4.9
149.09608	6.5
151.03874	3.1
151.07544	34.0
157.06465	13.5
157.10065	3.4
158.07257	5.6
159.11720	5.7
161.13239	6.7
163.11150	5.0
172.08795	6.4
173.05954	17.9
175.04001	4.1
179.07060	3.8
179.14156	3.1
185.05907	3.9
187.07507	4.1
188.08301	9.6
189.09102	4.7
189.11200	3.9
192.13922	2.9
194.15446	3.9
201.09099	38.3
203.10634	12.2
204.13785	18.3
206.15305	6.4
207.08130	2.6
209.06042	8.1
210.14879	2.8
213.09016	3.7
219.07985	11.0
222.14894	23.1
223.15662	3.6
224.16466	8.3
225.05511	4.9
225.09128	5.7
229.19208	2.6
231.07959	10.9
231.10194	19.1
233.09613	5.1
237.05432	4.6
239.07024	9.1
246.06694	3.7
246.10449	8.1
247.07558	7.7
249.08987	5.7
251.07034	5.3
252.07805	23.6
253.05043	6.8
257.18988	9.0
259.07709	4.7
260.20779	4.2
261.09109	9.3
262.09818	6.6
265.12119	4.0
267.06488	4.8
268.07178	15.1
273.09036	7.6
274.09866	6.3
274.21585	12.5
275.20010	42.6
277.08612	7.3
277.12189	12.0
278.22015	5.4
282.08868	19.8
283.09637	35.7
289.08551	18.9
290.09192	3.8
290.21060	4.0
292.10785	5.2
292.19391	4.1
292.22659	81.0
292.25784	5.1
293.08182	5.1
293.11722	3.8
295.09647	9.1
303.10129	11.3
304.10858	22.7
305.08148	6.9
305.11682	19.4
308.10330	10.9
309.11118	4.5
310.23734	3.3
320.10327	9.9
323.12756	17.8
325.06998	3.9
325.14136	4.6
334.17633	3.2
334.23807	16.5
335.12704	42.9
352.18494	5.3
352.24878	64.5
353.06647	5.9
353.13867	26.3
353.24911	4.5
370.20099	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	352.2842
Annotation	Melophlin E
Peak:m/z	Relative Intensity
55.05500	7.0
57.03429	1.2
57.07069	2.8
65.03952	1.1
65.23496	1.1
67.05495	24.8
69.07061	4.4
70.65736	1.0
71.08640	2.2
71.75529	1.5
77.67715	1.1
79.05500	7.3
81.07046	25.4
83.08610	4.8
90.05544	100.0
91.05434	5.9
93.07019	7.9
95.08594	21.8
97.06509	2.0
97.10151	2.7
105.07021	4.6
106.61104	1.2
107.08599	4.9
109.10139	9.6
119.08549	4.2
121.10121	3.7
123.11711	4.2
133.10098	4.7
135.11670	3.1
147.11671	2.5
149.13266	2.0
157.74921	1.1
161.13260	2.6
163.14862	1.9
172.49773	1.0
175.14841	2.0
215.64438	1.3
245.22588	5.6
263.23712	5.0
269.91238	1.3
298.98260	1.1
306.27908	3.2
352.28473	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	353.0654
Annotation	Daphnoretin
Peak:m/z	Relative Intensity
53.03932	0.2
55.01865	0.4
63.02405	0.1
65.03931	0.5
67.05499	2.0
68.99780	1.4
69.03428	0.1
69.47791	0.4
69.48231	0.2
70.06579	0.1
70.79268	0.1
72.08138	0.1
77.03917	0.1
79.05480	1.8
81.03412	0.6
82.26515	0.1
84.08147	0.1
86.09686	0.1
89.03910	0.8
89.34252	0.1
91.05473	0.9
92.99740	0.1
93.03380	0.4
93.07022	0.1
95.01340	0.1
95.04958	4.2
96.05252	0.1
97.06550	0.1
98.20698	0.1
103.05465	0.1
105.03391	0.5
105.07009	0.2
107.01299	0.1
107.04942	3.9
107.08629	0.1
108.05276	0.1
109.02863	0.3
111.04408	0.1
117.03357	0.8
119.01365	0.1
119.04932	0.5
119.08546	0.1
121.02855	1.8
123.04410	0.7
125.05862	0.1
127.03904	0.2
128.06184	0.1
129.03348	0.2
131.04886	0.1
131.08498	0.1
133.06461	0.1
134.03661	0.3
135.04398	8.2
136.04697	0.2
136.33044	0.1
137.02328	4.8
137.03398	0.3
137.05887	0.1
138.02678	0.1
139.03816	0.1
143.01257	0.1
145.02814	1.3
145.10075	0.1
147.04390	0.2
148.01442	0.1
149.02318	0.9
151.03871	0.1
151.38004	0.1
152.06163	0.2
153.05443	0.1
153.06999	0.1
155.08469	0.1
159.04347	0.1
161.02316	5.6
161.05969	0.3
162.02748	0.1
163.03883	19.7
164.04181	0.6
165.01816	0.3
165.05455	0.3
165.06990	0.3
167.03369	0.6
167.08533	0.2
173.02347	0.3
175.03859	0.1
176.01038	0.5
177.01848	0.2
177.06973	0.3
178.07721	0.1
179.03304	0.3
179.08543	0.1
180.04054	0.1
181.04938	8.1
181.06342	0.4
182.05318	0.2
183.02907	0.1
183.07936	0.1
187.03896	0.1
189.01775	0.1
189.05415	0.1
190.02597	0.2
191.03371	10.1
192.03729	0.4
194.02124	0.5
195.02939	0.1
195.08047	0.6
197.06036	0.1
198.06590	0.1
199.07495	0.1
199.60011	0.1
203.03380	0.2
205.06381	0.3
206.07251	0.1
207.08179	0.1
208.03645	0.1
209.04390	2.3
209.05995	0.2
211.07500	0.3
213.05502	0.1
213.09058	0.1
219.02831	0.3
223.07495	0.7
226.06241	0.2
227.06943	0.2
229.04932	0.1
229.08685	0.1
233.05992	0.2
237.05446	0.2
239.07126	0.1
241.08633	0.2
245.04456	0.4
251.07074	0.8
253.04884	0.2
254.05850	0.4
255.06476	1.1
256.07031	0.1
261.05399	0.3
265.05008	0.1
268.07294	0.3
269.05109	0.1
269.08011	1.3
271.05969	0.2
279.06476	1.5
279.09351	0.1
280.06876	0.2
281.04642	0.1
282.05164	0.7
283.05960	1.7
284.06128	0.1
286.04657	0.3
289.04861	0.1
295.05981	3.7
296.06583	0.7
297.07538	34.1
298.07895	2.1
299.05478	0.4
307.05997	1.6
308.06607	0.2
309.07547	0.1
310.04718	2.1
311.05362	0.9
323.05493	0.8
324.06232	2.0
325.07010	87.4
326.07364	5.3
335.05472	0.2
353.06500	100.0
354.06830	6.6
354.11334	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	352.1599
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.3
55.01870	4.9
57.03426	6.2
61.02911	6.0
65.59875	1.9
67.05493	1.7
68.99792	3.4
69.03422	39.0
69.07059	7.8
70.06585	15.3
70.14524	8.9
71.04983	3.4
72.08139	6.7
73.02906	6.1
77.73696	1.8
79.43213	1.7
81.03410	24.1
84.04496	4.5
84.08160	8.9
85.02900	100.0
86.09705	11.8
87.00822	48.5
91.05482	4.9
93.07036	2.0
97.02888	35.5
99.04446	14.5
105.01858	75.6
105.07010	1.9
107.08783	1.8
108.04465	3.1
108.11594	1.7
109.02876	24.8
110.07199	3.1
111.08096	2.0
120.08099	6.1
127.03905	77.4
127.04855	3.8
129.10226	3.9
136.07623	10.9
137.05974	2.6
145.04958	28.5
147.02859	2.1
155.07028	2.2
159.02913	7.2
172.04022	2.3
189.03958	3.9
193.09714	7.3
207.11316	2.4
213.03989	3.7
231.04955	27.1
232.05328	1.7
249.06059	7.8
325.06949	4.1
353.06516	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	352.1598
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.8
55.01849	2.9
55.47933	0.7
57.03411	1.8
60.04511	0.7
61.02913	2.1
63.46809	0.7
65.03947	0.7
67.05478	1.4
68.99777	2.0
69.03422	11.7
69.06684	1.5
69.07063	28.4
69.71943	0.7
69.72267	5.2
70.06571	2.8
71.04983	1.2
72.08157	1.0
73.02895	2.2
79.05466	2.3
80.83282	0.7
81.03400	6.9
83.01314	0.7
84.08117	1.4
85.02898	27.5
86.09685	3.3
87.00826	12.6
91.05457	1.8
91.19913	0.6
95.04958	3.3
97.02880	19.0
98.20717	1.3
98.74396	0.7
99.04440	4.6
105.01855	29.1
107.04933	3.2
109.02859	7.2
109.23383	0.7
110.07173	0.9
113.45104	0.7
115.10007	0.7
117.01784	1.0
119.04968	0.7
120.08093	1.2
121.02869	1.3
123.04385	1.4
127.03903	25.8
129.10219	0.9
130.06496	1.0
135.03430	0.9
135.04388	6.8
137.02298	4.2
137.05919	0.8
145.02870	1.3
145.04947	18.0
147.04218	0.7
149.02357	0.8
155.22044	0.6
159.02866	4.2
161.02325	5.1
163.03888	18.6
177.09038	0.7
181.04951	6.8
189.04012	1.0
190.02290	0.7
191.03368	9.8
191.04971	1.1
209.04456	1.9
213.03976	1.2
231.04980	6.6
249.03712	0.7
249.05927	3.6
251.06985	1.0
255.06520	0.9
269.07895	1.4
279.06647	1.1
283.06021	1.6
295.06119	3.3
296.06799	1.2
297.07562	31.4
307.06027	1.7
310.04724	1.2
323.05319	0.9
324.06189	2.4
325.07022	79.0
352.05554	1.0
353.06519	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.1211
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.0
55.01863	7.4
55.05508	2.6
55.32888	1.5
56.05026	2.2
58.06593	1.5
58.99582	17.6
60.04511	1.5
67.05485	5.3
68.05035	2.9
69.03430	2.0
69.07041	2.6
69.92887	5.8
70.06578	13.5
71.04987	1.8
71.06923	1.3
72.08142	4.7
73.30338	1.2
74.06037	2.0
76.02210	4.2
79.05486	6.7
80.05015	12.2
81.03391	4.6
81.07034	4.4
82.06559	5.4
84.04492	6.6
84.08130	6.2
85.01105	4.0
85.02868	3.8
85.04813	2.0
86.00653	4.1
86.09697	19.6
86.99031	7.9
87.02674	1.8
89.02282	2.1
91.05466	18.8
93.03399	1.9
93.07016	4.1
94.06561	25.5
95.04955	6.1
96.04491	2.0
97.01113	2.5
97.02888	1.6
100.02201	16.0
102.05512	1.6
103.05447	3.1
105.00074	5.2
105.07027	9.8
106.06551	3.9
107.04922	2.5
107.08581	1.9
108.08125	3.2
109.02847	2.0
110.06025	2.9
110.07196	2.3
111.02676	3.0
111.25738	1.3
112.02171	1.8
113.71657	1.2
115.05448	3.7
116.06226	1.8
117.05766	1.6
117.06998	5.4
118.06511	5.0
119.04932	3.7
119.08573	8.0
120.08093	4.9
121.06480	4.7
122.06030	23.8
123.04446	1.7
124.02213	2.0
124.07595	1.9
126.03717	2.8
128.06216	5.8
128.07060	3.0
129.07010	13.0
129.10219	3.5
130.06531	3.7
130.07797	2.0
131.07570	1.9
131.08566	13.1
132.01122	5.6
132.08026	3.9
133.06487	1.9
135.02612	3.1
136.02196	1.5
136.07556	12.6
137.04179	2.2
138.03712	5.4
138.05458	1.7
141.06990	4.6
142.07759	3.8
143.07455	2.4
143.08543	11.5
143.11768	13.7
144.01118	9.5
144.08035	3.1
145.06503	9.2
145.10135	9.0
146.02704	3.2
146.06017	2.2
146.09586	1.7
147.04407	2.2
147.08037	14.3
152.05240	1.4
153.03711	1.6
153.06982	4.1
154.03175	3.8
154.08647	9.3
155.07248	1.7
155.08499	1.8
156.08096	2.6
157.10153	3.3
158.02679	2.2
158.09653	1.8
159.04761	2.0
159.07994	2.0
159.11649	2.1
160.04240	1.4
160.11211	3.4
161.04228	2.3
161.09621	3.8
162.02242	4.7
162.09052	2.0
163.05814	1.5
164.07089	4.5
165.05472	3.2
167.07204	1.8
167.08527	3.1
168.08101	5.1
169.08852	4.6
169.10126	8.3
170.09602	12.4
171.07999	1.8
171.11366	3.2
172.04282	2.2
172.07510	2.2
174.03746	2.1
176.05333	2.5
176.06931	1.5
178.08636	2.6
180.04773	1.6
182.02707	3.4
182.08095	10.2
182.09576	2.9
184.04228	4.5
184.11253	5.0
185.09605	3.0
187.05901	1.9
187.11176	7.5
188.07019	1.7
188.10649	9.0
190.01674	68.8
191.14302	2.2
196.04192	2.3
196.11224	3.1
198.05864	1.7
201.07375	1.5
202.06822	15.1
202.08932	6.3
205.08997	1.9
208.04259	1.7
210.05779	2.0
212.07237	1.7
212.10762	3.2
213.09067	4.0
214.06932	2.3
216.12064	1.5
219.05122	2.0
220.05319	4.7
228.08449	1.9
229.10919	11.7
230.04759	2.7
230.11682	4.0
231.10184	2.9
246.09421	3.2
247.11758	1.5
248.07346	1.5
248.12856	4.5
256.13284	3.8
258.07904	2.0
262.08902	2.6
274.08893	7.1
286.07620	1.6
288.10165	1.5
289.11783	1.8
290.12067	6.2
292.10001	13.1
306.11487	7.4
308.12943	3.8
325.07138	3.2
334.10922	18.8
335.11911	1.4
352.12039	100.0
352.15591	6.4
352.26285	2.3
353.06580	10.4
353.12500	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	352.0793
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64622	5.9
50.95526	6.6
51.39744	6.7
56.05063	6.2
56.96560	15.1
58.99601	5.7
60.04523	11.5
66.13167	7.1
68.47629	6.3
69.03420	10.3
70.06597	23.8
70.25156	6.4
70.64221	15.3
70.64595	11.4
72.08142	20.1
77.12788	6.5
79.05469	7.8
81.03398	12.2
84.04507	12.9
84.08133	16.6
85.02906	18.6
91.05491	9.9
97.02914	11.1
98.20759	8.3
98.97569	10.8
106.06578	7.0
110.07162	12.0
116.98601	10.0
118.06536	18.9
120.08115	26.4
126.85172	7.6
127.03945	8.2
128.98616	10.6
132.08066	14.6
134.05945	7.6
136.07581	30.8
144.08107	9.9
146.05989	42.0
147.04414	19.4
155.07079	6.9
161.02376	7.5
162.05495	7.1
163.03836	31.6
176.07182	10.4
176.08882	6.4
176.68530	7.4
183.82271	6.9
185.11481	6.6
188.07114	43.1
190.05035	7.1
199.02658	6.8
219.01765	11.1
219.93253	6.2
235.14409	8.8
237.02861	28.6
321.36145	8.1
352.07635	100.0
352.14230	8.7
353.13077	8.6
370.07950	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	351.2525
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	7.4
55.01870	19.1
55.05505	47.4
57.03434	28.0
57.07075	12.3
65.03931	5.1
67.05498	93.7
68.56712	2.3
68.89927	2.6
69.03429	3.5
69.07060	40.3
70.29981	13.0
71.04982	6.9
71.08247	5.2
71.08626	82.7
79.05488	66.0
81.03410	13.7
81.07046	100.0
83.04964	11.7
83.08606	22.7
85.02831	2.6
85.06521	8.7
90.23809	2.4
91.05470	51.5
93.07032	82.4
95.04956	19.8
95.08598	55.7
97.06512	10.1
97.10173	13.0
99.08082	63.5
101.06003	2.6
105.07008	48.9
107.04964	5.9
107.08578	42.3
109.06499	9.3
109.10130	27.6
111.08070	15.1
113.09626	6.0
117.07009	9.8
119.08566	41.2
121.10126	26.1
123.08047	5.8
123.11710	10.3
125.09614	11.2
127.11188	3.2
129.07013	6.9
131.08568	10.6
133.10117	30.5
135.08023	4.8
135.11684	26.6
137.09631	5.5
137.13208	4.6
138.09128	7.2
139.09521	3.0
143.08545	7.6
145.10089	17.8
147.11671	28.9
149.13217	15.6
150.06322	3.2
151.11163	32.7
153.12691	4.1
157.10106	7.5
159.11693	7.6
161.13231	34.9
163.11182	20.3
163.14835	7.8
165.12775	8.8
167.10681	3.1
171.11705	8.8
173.13232	4.4
174.78233	2.3
175.14842	10.8
179.12935	3.7
179.14291	19.7
181.14348	2.7
185.13211	10.6
187.14806	3.6
189.12741	4.1
199.14835	4.1
203.14224	3.4
207.13675	2.8
217.19504	5.4
231.21057	10.4
235.17128	2.6
241.19522	15.6
249.22142	9.7
259.20563	27.8
277.21603	66.2
333.22614	5.6
351.25421	86.8
352.25116	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	351.2526
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67130	2.2
53.03926	7.1
55.01865	12.2
55.05505	37.6
56.71511	1.8
57.03433	17.0
57.07066	10.1
62.91321	1.9
65.03909	4.1
66.39751	1.9
67.05498	78.5
67.84063	1.9
68.05828	3.1
69.07064	28.7
70.12399	4.6
70.12820	7.4
71.04984	4.5
71.08246	2.7
71.08621	37.8
79.05481	56.7
81.03404	7.9
81.07050	75.2
83.04966	9.1
83.08614	19.7
85.06530	5.5
91.05471	40.8
92.72803	2.0
93.07035	68.3
95.04974	12.8
95.08592	51.5
97.06499	10.5
97.10155	9.2
99.08084	27.8
100.10555	2.3
105.06339	3.1
105.07020	46.9
107.08580	40.9
109.06515	10.8
109.10134	22.2
111.04474	2.8
111.08076	6.9
111.11725	3.5
113.09644	2.9
117.06998	7.8
119.08569	39.8
121.06474	2.6
121.10136	22.1
123.08061	3.6
123.11708	8.3
125.09608	7.8
129.06973	7.8
131.08549	10.6
133.02762	1.9
133.10127	26.7
135.08052	2.4
135.11694	20.6
137.05945	14.8
137.09579	5.6
137.13277	4.9
143.08562	8.7
145.10117	8.2
147.11673	25.7
149.13232	15.2
151.11168	21.6
157.10126	6.8
159.11671	7.3
161.13228	28.9
163.11130	10.1
163.14803	5.6
165.12737	8.2
167.14299	2.1
171.11716	6.4
173.13293	5.4
175.14830	12.3
177.12674	3.1
179.14279	12.3
185.13281	11.1
189.12714	3.4
199.14822	5.5
201.07655	2.1
203.14415	2.9
213.16200	2.3
217.15988	2.2
217.19568	4.2
231.17465	2.8
231.21013	10.7
241.19481	11.9
249.22198	6.4
259.20572	37.9
277.18033	5.5
277.21567	40.9
295.22623	2.5
351.25284	100.0
352.25385	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2525
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05487	14.7
56.96540	19.4
57.03436	7.5
59.33922	5.7
67.05499	51.3
69.07049	16.1
70.20284	20.9
71.77541	4.7
79.05494	59.4
81.07037	63.4
83.08602	13.6
84.97753	4.2
85.06525	7.2
91.05471	66.8
93.07031	87.2
95.04939	11.8
95.08596	45.5
97.06548	6.0
98.21390	5.1
105.07016	67.1
107.08568	45.3
109.10116	14.9
117.06959	18.0
119.08579	65.2
121.10149	46.9
129.06963	11.9
131.08580	28.3
133.10110	55.1
135.11647	40.6
143.08522	14.3
145.10110	22.1
147.11682	57.0
149.13237	22.2
157.10106	10.6
159.11674	26.8
161.13216	39.6
171.11678	17.3
173.13225	12.2
175.14809	13.4
179.97919	4.5
182.69476	5.0
185.13214	19.1
185.21461	5.1
199.14824	7.6
213.07915	4.9
217.07314	6.5
231.20985	8.7
241.19437	42.9
255.08969	8.0
259.20547	100.0
267.08948	8.3
269.10519	19.0
277.21530	18.2
285.09988	12.4
287.11670	5.4
333.17157	5.5
351.25214	67.8
369.19342	15.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2526
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.0
55.01857	1.9
55.05505	15.9
57.03434	17.6
57.07070	4.3
65.03928	2.3
67.05496	51.1
69.07063	14.9
70.99947	4.3
71.04988	1.3
71.08621	52.8
71.60236	1.7
74.13949	1.1
79.05483	39.0
81.03415	7.8
81.07048	51.7
83.04980	9.4
83.08607	10.4
85.06519	3.6
91.05467	30.1
93.07034	53.4
95.04959	12.7
95.08591	34.4
97.06519	9.5
97.10159	3.5
99.08083	33.1
105.07019	21.3
107.04961	7.4
107.08578	29.0
109.06505	6.0
109.10139	13.0
111.08068	5.2
113.09664	3.2
117.07024	4.7
119.08562	19.4
121.10141	23.3
123.08070	2.5
127.11240	1.6
129.06938	2.1
131.08566	3.6
133.10112	13.2
135.11671	37.7
137.09605	4.5
138.91934	1.2
139.11119	1.7
141.09077	4.7
143.08533	1.8
145.10129	7.0
147.11661	6.3
149.13252	11.7
151.11162	21.2
157.10150	1.7
159.11755	4.1
161.13214	11.2
163.11192	8.5
163.14833	2.3
165.12743	2.7
167.10753	2.3
171.11575	2.0
173.13335	2.4
175.11198	1.4
175.14816	3.2
177.12726	4.6
179.14288	100.0
180.14648	3.0
185.13269	4.0
189.12769	2.2
195.13780	2.4
199.14821	2.4
207.13739	1.7
221.15385	2.5
235.16878	5.1
236.92267	1.3
241.19484	3.7
250.09772	1.2
259.20639	6.6
277.21600	39.3
278.22049	1.3
292.22617	3.1
293.21066	1.7
351.25278	28.6
352.25110	4.7
369.19308	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	351.2526
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.6
55.01858	9.8
55.05507	25.6
56.30772	1.4
56.65962	2.0
57.03434	15.5
57.07057	6.1
65.03949	1.6
67.05499	57.5
69.03418	2.8
69.07058	20.0
70.35002	7.0
71.04980	3.5
71.08239	3.3
71.08624	63.7
79.05486	45.8
81.03415	7.8
81.07048	61.5
83.04961	12.7
83.08623	12.2
85.06514	4.2
85.10181	2.1
91.05471	33.9
93.07034	59.2
95.04966	16.4
95.08598	41.5
97.06512	12.6
97.10137	7.7
98.21253	3.1
99.08080	41.9
101.06007	1.8
105.07029	23.4
107.04977	7.8
107.08578	36.6
109.06487	8.1
109.10145	19.5
111.08069	6.7
113.09653	3.5
117.07008	4.9
119.08572	20.3
121.06521	2.9
121.10129	26.0
123.08066	2.1
123.11684	3.8
125.09624	4.5
127.11132	2.1
129.06993	2.9
131.08569	6.4
133.10112	15.4
135.08049	1.8
135.11679	33.6
137.05937	1.9
137.09608	10.4
139.11130	1.9
141.09113	4.8
143.08546	4.2
145.10118	4.9
147.11676	8.9
149.09598	1.6
149.13272	11.8
151.11162	22.1
153.12717	3.4
154.12259	1.8
157.10149	3.8
159.11684	5.8
161.13271	13.8
163.11134	7.8
163.14827	3.7
165.12730	16.3
167.10648	5.7
167.11990	1.7
171.11729	3.1
173.13177	1.9
175.11206	2.0
175.14835	3.0
177.12727	4.2
177.86377	1.5
179.14297	100.0
180.14641	2.8
185.13266	3.6
189.12744	2.3
191.14343	2.4
199.14781	2.1
221.15327	4.6
235.16946	5.1
236.20114	1.6
241.19452	3.1
249.22134	3.3
259.20541	7.8
277.21588	42.3
289.21579	4.7
295.07425	1.7
334.27313	3.0
351.25269	47.9
352.24866	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	351.2524
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.7
53.58547	2.1
55.01871	3.8
55.05507	22.0
57.03418	6.4
57.07053	4.1
65.03916	4.3
67.05140	3.8
67.05494	53.6
69.07063	18.7
71.04974	2.6
71.06780	4.8
71.08622	5.4
77.03911	2.3
79.05482	68.1
79.64059	2.0
81.03392	2.3
81.07048	59.0
83.04980	2.9
83.08617	7.7
85.06524	4.0
87.18272	2.1
91.04923	4.2
91.05470	70.4
93.07035	74.2
95.04955	11.7
95.08597	31.4
96.75130	2.4
97.06508	6.4
99.08057	8.8
105.07018	77.2
107.08583	51.9
109.06484	3.2
109.10143	13.9
113.09630	3.5
115.05383	2.9
116.38335	2.2
117.07016	16.0
117.66562	2.3
119.08569	67.2
121.10139	33.8
123.11709	4.6
127.07513	2.4
129.06989	12.3
131.08543	25.8
133.10104	47.0
133.11028	3.7
135.11684	35.1
137.09552	3.1
142.06595	2.3
142.07762	2.7
143.08524	10.8
145.10109	21.5
147.11668	58.8
149.09586	3.8
149.13245	24.9
151.11212	3.5
157.10126	14.1
159.11664	18.1
161.13216	35.6
163.11270	2.9
163.14803	7.1
165.12665	2.3
171.11630	13.7
173.12041	2.2
173.13179	11.0
175.11220	3.5
175.14789	20.7
177.12729	4.2
179.14311	5.4
185.13252	17.3
187.14841	5.1
189.12741	3.0
199.14781	10.8
203.14401	2.6
217.19521	2.6
231.17479	2.9
231.21053	8.7
241.19481	38.3
259.20535	100.0
277.21637	10.6
333.24451	3.9
351.19339	4.1
351.25284	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	351.2527
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.9
55.01867	69.5
55.05509	33.6
56.96197	2.3
56.96549	5.2
57.03434	17.9
57.07063	7.2
57.85680	2.7
64.25179	2.8
67.05496	53.5
69.03030	2.7
69.03382	3.3
69.07061	24.6
71.04998	6.3
71.08623	10.0
71.17496	5.3
79.05486	31.8
81.03393	4.2
81.07048	56.1
83.04960	16.9
83.08610	29.6
85.06538	3.1
85.10159	16.0
91.05469	29.4
93.07034	35.3
95.04965	10.5
95.08592	38.9
97.06516	12.3
97.10180	5.4
98.20944	3.3
99.08095	9.1
105.06990	21.8
107.04958	6.3
107.08571	20.0
109.06507	12.1
109.10145	16.6
111.08073	73.5
113.09634	15.3
113.23634	2.5
117.06997	4.6
119.08545	16.5
120.08128	6.4
121.06454	2.6
121.10168	15.4
123.08061	8.7
123.11698	11.5
131.08563	3.6
133.10110	25.8
135.11662	12.0
137.09578	5.0
137.13234	3.5
139.11226	3.1
145.10062	4.6
147.11671	15.5
149.09563	4.9
149.13242	11.8
151.11159	11.5
153.09021	2.6
153.12730	7.7
157.10027	4.1
158.09995	7.2
161.13245	12.9
163.11203	7.2
163.14902	3.9
165.12738	22.7
171.11798	3.9
175.11172	4.7
175.14839	4.7
177.12692	2.9
179.14284	9.3
185.13332	4.1
213.08043	3.1
231.09171	3.4
231.21089	8.6
241.19395	5.1
249.22081	14.0
259.20584	10.1
269.10706	5.1
277.21606	100.0
277.24612	5.2
278.21881	5.4
295.22617	12.3
319.09598	4.7
351.18179	6.7
351.25339	46.8
352.25610	5.1
369.19376	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	351.2524
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10515	2.7
52.20712	2.2
52.34004	2.3
55.05513	16.7
56.48496	3.3
57.03422	9.2
57.07057	3.5
60.30867	2.4
67.05503	45.5
69.07063	16.8
70.79011	7.3
71.04980	3.5
79.05023	3.7
79.05486	66.8
81.07055	57.5
83.04956	3.0
83.08631	12.8
85.06571	3.0
91.05473	61.1
91.06038	3.8
93.07038	100.0
95.04948	5.3
95.08591	36.6
99.08079	3.9
105.07021	51.6
107.08583	61.1
107.84495	2.9
109.06478	3.0
109.10136	15.7
117.06992	13.7
119.08575	52.7
121.10133	45.9
122.09328	2.7
122.73418	2.6
123.11719	3.1
129.06976	8.4
131.08578	18.4
133.10121	53.7
135.08131	3.6
135.11684	56.0
143.08545	6.9
145.10144	28.7
147.11674	45.9
149.09555	3.3
149.13254	27.1
157.10153	8.9
159.11644	15.7
161.13249	38.8
163.11266	3.1
163.14812	9.0
169.61922	2.8
171.11691	11.3
173.13280	7.2
175.14803	18.0
177.12717	4.2
183.16240	3.1
185.13234	10.9
187.14873	3.4
187.71298	2.6
199.14832	7.2
213.16368	4.4
217.19513	2.6
231.21106	7.7
241.19489	34.1
248.49939	2.8
259.20547	93.3
277.21646	11.7
333.24222	11.4
351.25281	58.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2526
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	4.1
55.01854	3.1
55.05503	19.9
57.03428	6.9
57.07059	4.2
65.03928	1.8
67.05138	2.6
67.05498	48.5
67.42406	1.6
69.07061	12.6
69.67422	10.7
71.04970	2.7
71.08623	2.2
75.04474	2.9
79.05023	3.5
79.05486	65.6
80.05811	1.8
81.07050	55.3
83.05007	1.8
83.08601	7.9
85.06520	5.3
90.08642	1.4
91.05475	68.8
93.07037	83.8
95.04960	7.6
95.08014	2.3
95.08601	39.2
97.06537	3.9
97.10174	3.8
99.08090	5.7
103.05418	1.8
105.07022	70.6
106.07298	1.7
107.04933	2.2
107.08591	48.4
109.06508	2.3
109.10156	12.1
113.09645	3.3
117.06988	13.2
119.08572	66.2
121.06498	1.6
121.10123	34.2
121.10981	2.2
123.11710	3.3
125.09575	1.9
128.06223	2.4
129.07014	12.2
130.07822	1.9
131.08575	25.9
133.10115	53.5
135.08073	1.9
135.11684	35.6
137.09637	2.3
142.07773	2.1
143.08568	12.7
145.10118	24.1
147.11673	55.0
149.09602	2.2
149.13242	17.9
151.11165	2.3
157.10118	12.2
159.11673	24.4
161.09662	3.0
161.13257	46.0
163.11133	5.0
163.14804	8.2
171.11679	16.8
173.13261	13.0
175.11153	2.1
175.14815	22.9
177.12805	4.8
177.16429	1.6
185.13242	16.6
187.14766	3.3
189.12747	3.0
199.14804	11.6
203.14233	2.1
213.16351	7.1
215.17911	3.3
217.19502	4.0
231.17561	3.2
231.21030	10.6
241.19487	38.7
241.21933	2.6
243.09302	1.6
259.20560	100.0
260.20932	2.3
261.21967	2.4
277.21588	6.9
282.53217	2.1
291.83810	1.7
305.64093	1.5
333.24286	1.8
351.21356	4.9
351.25293	59.1
352.25714	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2525
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09895	1.4
53.03928	5.7
55.01872	9.8
55.05508	34.6
57.03436	16.4
57.07064	7.1
65.03918	5.4
67.05497	100.0
68.05832	1.6
69.07064	29.7
70.35076	7.6
71.04970	4.8
71.08253	1.4
71.08624	23.0
79.05022	2.9
79.05486	69.7
81.03398	17.3
81.07047	79.0
83.04976	10.9
83.08611	15.0
85.02901	2.5
85.06523	5.6
91.04921	2.8
91.05471	48.2
93.07034	78.4
93.69023	1.4
94.07368	1.8
95.04944	16.3
95.08591	43.1
95.09196	2.3
97.06496	7.5
97.10153	11.7
97.32398	1.5
98.20754	1.3
99.08080	21.6
103.05466	2.1
105.07017	45.4
106.07351	1.7
107.04929	4.2
107.08577	54.1
108.08130	1.8
109.06509	6.2
109.10144	32.5
111.08063	6.9
113.09647	3.1
115.05547	1.3
117.06984	14.7
119.08569	39.7
121.06503	2.5
121.10127	33.5
123.08068	4.4
123.11696	5.0
125.09616	11.0
128.06207	2.0
129.06999	9.5
130.07822	2.0
131.08563	15.7
133.10118	33.7
133.11119	1.9
134.16217	1.4
135.08044	4.9
135.11676	34.3
137.05960	3.5
137.09613	2.7
139.07542	2.0
139.76764	1.4
141.06917	1.7
143.08542	8.8
145.10118	14.9
147.08037	2.2
147.10562	2.7
147.11676	33.4
149.09615	2.3
149.13234	22.9
151.10001	2.4
151.11165	20.7
152.23236	1.4
153.09071	2.6
153.12674	1.5
155.08540	5.9
157.10081	7.2
159.11659	16.6
161.09541	4.7
161.13245	29.0
163.11171	9.0
163.14795	6.7
163.72157	1.5
165.12743	4.1
167.08519	1.7
168.09348	1.6
169.10080	2.3
171.10344	1.8
171.11707	12.1
173.09648	1.4
173.11829	2.0
173.13187	8.0
175.11064	1.9
175.14816	12.9
177.12756	3.0
179.08464	1.9
179.14276	13.1
181.10019	2.3
185.13258	8.3
187.14854	2.6
189.11188	7.2
189.12659	3.0
193.12238	1.5
199.14806	3.8
207.13713	3.0
213.16469	2.9
217.15907	2.1
217.19606	3.6
221.13284	1.6
221.15335	3.0
223.14781	2.0
231.17528	1.6
231.21078	7.2
235.16936	2.7
241.19489	20.7
249.22003	2.1
259.20541	53.8
260.20947	2.3
277.21616	43.4
305.46741	1.4
319.09485	1.7
351.19611	8.8
351.25473	48.8
352.25409	1.9
357.82916	1.5
361.52164	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2526
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20241	0.9
53.03942	3.1
55.01868	8.3
55.05496	14.1
57.03434	8.8
57.07057	3.0
57.91941	0.9
59.03333	0.8
65.03918	1.5
67.05495	33.3
68.05820	1.1
69.03418	0.9
69.07053	12.7
69.95718	4.6
71.04967	1.9
71.08622	3.1
73.58284	0.9
74.28630	0.9
75.04475	1.2
79.05484	41.6
81.03430	1.7
81.07047	64.8
82.07380	1.1
83.04977	5.1
83.08604	5.4
85.06544	3.4
91.05470	33.7
93.07034	51.1
94.07356	1.1
95.04958	5.2
95.08595	27.2
97.06525	2.9
97.10159	2.2
99.08067	3.8
99.66089	0.9
100.71557	0.9
101.05960	0.9
105.07020	34.2
107.04936	1.5
107.08582	31.9
109.06503	17.1
109.10151	11.2
111.04432	13.8
111.08077	3.5
113.09618	1.6
115.09184	1.0
117.07014	7.1
119.08568	32.7
121.10132	24.6
123.08033	2.9
123.11686	5.5
125.05985	4.1
125.09614	1.1
128.06168	1.8
129.06993	5.4
131.08556	14.4
133.10118	29.4
134.10469	1.0
135.08064	4.3
135.11681	26.8
137.05962	100.0
137.09630	2.7
137.13239	2.7
138.06274	2.0
142.07764	1.3
143.08560	7.6
145.10115	14.6
147.08005	2.3
147.11665	29.5
149.09625	5.1
149.13248	16.5
151.07524	3.7
151.11110	2.9
153.09090	2.1
155.08606	1.8
157.10103	7.7
159.11676	13.5
161.09634	7.2
161.13231	22.6
163.11194	5.9
163.14769	5.7
165.09076	1.7
165.12718	2.2
167.10645	1.0
171.11670	9.5
173.13245	7.2
175.11217	6.0
175.14813	11.1
177.12746	2.8
179.10649	2.9
181.12192	1.1
185.13231	8.2
187.14836	3.4
189.12706	2.5
193.12177	1.7
199.14883	4.7
203.14169	2.7
203.17940	7.5
213.16377	4.9
215.17923	1.7
217.15880	1.1
217.19513	3.2
221.18964	1.8
223.15091	1.0
231.17403	11.5
231.20959	6.4
241.15793	1.7
241.19492	18.2
249.18471	12.8
259.20544	52.0
277.17990	33.0
277.21579	10.4
278.18243	2.7
281.08389	1.4
295.19006	9.8
300.97598	1.0
333.24377	4.7
351.21469	10.7
351.25281	31.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2164
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96630	0.7
53.03938	1.9
53.07875	0.7
55.01865	12.1
55.05506	14.3
56.96558	1.2
57.03435	8.8
57.07051	3.7
58.06582	1.0
64.08808	0.9
65.03922	1.0
67.05502	23.9
69.07061	11.6
71.04966	1.8
71.08610	3.9
71.47990	1.7
77.76289	0.9
79.05488	22.4
79.05922	0.8
81.03388	2.0
81.07049	55.6
82.07358	1.2
83.04965	4.9
83.08595	5.7
85.06527	1.6
85.10168	2.0
91.05468	15.2
93.07037	22.0
95.04958	4.6
95.08008	1.5
95.08598	22.9
97.06520	3.4
97.10130	2.5
98.09695	1.0
99.08074	3.0
105.07010	16.2
107.04945	2.0
107.08578	13.1
109.06510	14.5
109.10163	8.1
111.04432	14.1
111.08089	4.7
113.09612	2.2
117.06991	3.7
119.08574	13.5
121.06468	1.2
121.10144	8.8
123.08057	3.6
123.11675	3.5
125.05972	3.9
129.06996	1.6
131.08574	4.6
133.10112	11.4
135.08015	1.8
135.11673	11.0
137.05965	100.0
137.13261	2.7
138.06293	1.8
143.08534	3.3
145.10133	4.6
147.07994	2.0
147.11670	12.5
149.09601	4.5
149.13263	3.9
151.07486	2.8
151.11203	3.9
153.12727	1.6
155.08484	1.0
157.10091	3.1
159.11661	2.8
159.68541	0.8
161.09563	5.8
161.13242	6.0
163.11195	4.9
163.14758	1.9
165.09126	1.9
165.12741	3.0
167.10660	1.3
171.11768	3.9
173.13292	1.0
175.11183	4.9
175.14783	3.2
177.12752	2.2
179.10623	1.6
179.14281	5.7
180.72276	0.9
181.12222	0.9
185.13182	1.0
191.14268	1.0
193.12189	2.1
203.17891	5.5
207.13718	1.2
213.16353	2.0
217.93925	0.9
221.15434	1.0
221.18866	2.1
231.17442	10.5
231.21048	2.4
241.15793	1.6
241.19589	2.1
249.18449	10.2
249.22087	2.0
259.20511	5.1
277.17950	36.6
277.21530	13.2
278.18390	1.4
295.19138	9.6
295.22330	1.8
319.09796	1.0
333.17337	2.9
351.18124	3.6
351.21643	6.3
351.25250	12.2
352.25168	2.0
352.29752	0.8
369.19495	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2145
Annotation	Pachyclavulariolide Q
Peak:m/z	Relative Intensity
55.01865	5.3
55.05495	4.8
57.03405	2.5
61.68779	2.1
67.05496	8.1
68.63181	2.6
69.07067	4.3
69.85397	11.3
70.06578	2.4
71.08643	2.3
79.05458	12.3
81.07052	27.9
83.04970	3.0
83.08605	3.0
84.08160	4.2
91.05460	4.4
93.07034	9.9
95.04934	4.1
95.08598	7.7
99.08128	2.6
105.07044	6.9
107.08600	3.9
109.06509	6.7
109.10092	3.5
111.04418	11.2
119.08581	7.1
121.10138	6.2
131.08562	2.8
133.10097	4.8
133.16591	2.3
135.11665	3.6
137.05965	65.2
140.09688	2.6
147.11708	8.9
151.07556	2.2
161.13232	4.8
171.11707	3.1
175.11163	3.4
179.10759	2.5
201.09763	6.5
203.18050	2.7
213.09692	11.8
219.10889	3.9
231.10764	23.3
231.17491	6.8
241.19733	2.5
249.18570	7.8
259.20605	5.0
277.18008	19.4
295.18997	5.9
351.21396	100.0
351.25073	4.2
352.21658	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	351.2138
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02385	0.5
53.03927	0.9
53.18758	0.5
55.01866	6.8
55.05506	6.7
55.11973	0.5
56.05012	0.7
57.03423	3.5
57.07053	1.9
57.44249	0.5
58.60938	0.5
59.41537	0.6
60.04514	0.8
67.05501	12.5
69.03405	1.5
69.07065	5.2
70.06576	1.0
71.08631	6.0
71.73247	0.8
77.00893	1.5
79.05482	10.0
80.04977	0.7
81.03401	2.4
81.07048	12.9
83.04969	2.1
83.08613	3.4
85.02882	0.8
85.06525	0.9
85.10162	1.8
91.05466	9.0
93.07038	10.2
95.01324	0.9
95.01900	0.6
95.04961	3.5
95.08606	8.9
96.39536	0.5
97.06531	1.6
97.10145	1.6
99.08090	4.5
105.06346	0.8
105.07024	10.6
106.58776	0.5
107.04941	1.7
107.08588	5.4
109.06499	2.3
109.10152	4.9
111.08073	5.7
113.09608	2.6
117.06985	2.0
119.08578	5.3
121.09293	0.6
121.10107	3.9
123.08076	1.4
123.11690	1.4
125.09616	1.2
129.06979	1.2
129.12169	0.5
131.08546	2.1
133.06442	0.7
133.09163	0.9
133.10126	6.2
134.09584	0.6
135.08046	0.8
135.11664	4.2
137.06155	0.9
137.09601	1.1
137.13223	0.8
139.07481	0.6
143.08569	1.0
145.10110	3.3
147.04414	1.3
147.11684	3.0
149.09547	1.7
149.13257	1.8
151.07533	0.6
151.11180	3.1
153.12860	0.7
157.10164	1.1
159.11671	2.1
161.09615	1.7
161.13240	3.0
162.12775	3.9
163.11209	2.9
163.14832	1.4
165.12753	2.3
171.11664	1.1
173.13240	1.0
175.14839	1.2
177.12729	2.4
179.14305	1.1
180.13782	5.0
185.13284	1.2
187.11255	0.6
187.14865	0.7
189.09125	0.8
215.11418	1.2
219.10637	0.6
231.21106	0.9
249.22214	0.9
253.12842	2.1
259.13330	1.3
259.20544	2.2
271.13889	2.5
275.19955	1.1
276.14426	0.7
277.21655	8.5
291.10251	0.6
292.22705	0.7
315.18121	1.3
319.09738	1.7
333.19510	2.0
335.39951	0.6
351.21378	100.0
351.25085	5.8
352.21643	3.7
352.25464	5.4
369.21219	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1546
Annotation	Unknow
Peak:m/z	Relative Intensity
60.92767	0.5
63.76875	0.5
65.88268	0.5
69.63861	4.0
70.06549	0.8
72.08128	0.8
84.04510	0.8
84.08125	1.0
85.53957	0.5
86.09711	0.6
98.21553	0.5
110.05962	0.8
120.08112	0.7
140.25340	0.5
175.08710	1.1
187.08746	0.6
190.08458	0.5
193.09512	0.5
199.08638	3.0
200.09418	9.6
201.10193	10.1
202.10748	0.8
212.09363	0.6
213.10182	9.0
214.10960	6.8
215.11766	22.7
216.12331	1.6
217.09677	2.4
218.10468	0.5
219.11212	9.4
220.11624	1.0
226.10893	2.4
227.08128	0.5
227.11668	1.1
228.12576	3.8
231.11264	2.4
232.11876	0.8
233.12666	0.6
237.10942	0.5
241.09660	2.5
241.13338	5.4
242.10461	13.6
242.14009	1.0
243.11261	3.6
245.09178	0.9
247.10962	0.5
254.10446	1.0
255.11339	1.3
256.12073	4.7
259.10754	4.4
260.11499	6.3
261.12274	1.9
269.12820	4.5
270.13501	0.8
271.14407	1.2
272.11475	1.0
274.13107	1.3
277.11826	4.6
278.12357	0.7
282.09833	0.7
287.13870	3.1
289.15369	0.9
297.12292	8.8
300.10999	3.4
315.10379	0.3
315.13336	21.4
316.13577	1.8
333.14423	22.1
334.14694	1.3
351.15466	100.0
352.12094	0.9
352.15805	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	351.1435
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	3.4
55.01870	18.4
55.05502	5.7
56.33750	1.0
57.03429	2.5
57.07061	1.4
57.62346	1.0
58.34991	0.9
59.04981	1.3
59.96815	0.9
60.04526	5.9
65.03926	3.1
67.05500	24.6
68.99800	1.4
69.03419	4.0
69.07047	6.6
69.31444	0.9
70.06579	2.8
70.86211	1.2
70.86562	3.0
71.01347	2.2
71.04987	3.0
72.08163	1.2
79.05488	19.9
81.03412	15.2
81.07050	13.5
83.01329	4.5
83.04980	6.4
83.08605	3.1
84.08136	2.0
85.02897	10.6
85.06537	2.4
91.05473	25.9
93.03391	1.2
93.07040	14.2
95.01321	30.1
95.04962	15.2
95.08598	13.7
97.02874	3.3
97.06530	2.9
97.10157	1.5
99.04456	2.2
103.05483	3.4
105.07017	20.2
107.04955	14.2
107.08591	8.7
109.02855	6.0
109.06525	5.4
109.10152	14.3
111.04459	1.8
111.08056	3.1
113.02360	1.2
115.05444	3.1
117.07002	8.3
119.04909	4.8
119.08557	9.8
120.08889	1.0
121.02872	4.4
121.06499	15.3
121.10122	5.2
122.14143	1.0
123.04444	5.1
123.08089	3.2
123.11668	1.2
125.02326	6.4
125.09619	2.8
127.03929	1.2
128.06213	2.6
129.06989	7.7
131.04938	4.1
131.08563	7.9
133.06454	5.5
133.10124	9.8
135.04390	6.8
135.08043	6.6
135.11697	3.1
137.02351	2.4
137.05995	3.7
137.09578	3.7
139.03877	1.6
141.01837	1.7
141.06985	3.1
142.07793	2.0
143.04950	1.0
143.08549	3.9
145.06465	4.0
145.10063	5.2
147.04405	14.5
147.08015	3.8
147.11667	5.9
149.05975	4.6
149.09651	2.7
151.03886	30.0
151.05055	1.8
151.07480	1.8
151.11189	1.7
153.05559	1.3
153.07132	1.4
155.08542	3.0
157.06499	2.4
157.10065	5.0
159.04373	1.2
159.08017	2.2
159.11684	4.0
161.02362	1.1
161.06036	3.6
161.09613	5.4
161.13266	1.1
163.03889	2.6
163.07559	1.9
163.11154	3.0
165.01801	1.4
165.06955	1.4
165.09055	1.4
167.08623	1.7
169.10115	3.0
171.08139	1.4
171.11693	2.7
173.05925	1.3
173.09625	2.2
173.11731	3.9
175.03957	2.5
175.11177	6.9
177.05438	1.5
177.12733	6.5
179.03407	1.9
185.05931	1.9
185.09639	1.8
187.11176	4.4
189.05518	2.0
189.09120	2.3
189.12753	1.6
193.12250	1.1
195.08455	0.9
195.82353	1.0
203.49725	1.0
205.04839	1.2
205.12219	6.5
207.13843	4.8
215.10782	1.9
217.05107	1.2
217.12292	1.7
231.08014	2.2
233.11800	1.8
233.15395	1.1
239.12769	2.4
241.12251	2.4
245.11679	1.7
247.07460	2.0
251.12823	2.4
253.08723	1.1
259.07553	1.4
259.13281	11.0
261.14868	4.8
267.06561	3.6
269.11691	2.1
273.08875	1.8
276.07761	1.7
287.12863	4.0
289.14371	1.4
290.09311	1.5
291.10107	1.6
304.07297	1.6
305.08163	2.0
305.13867	2.3
307.15353	14.2
315.12463	3.9
319.09702	9.2
320.10004	2.2
323.05569	2.8
323.14874	2.3
333.13220	5.4
333.20605	1.1
333.28110	1.6
351.05124	1.9
351.08728	5.6
351.14404	100.0
351.29361	2.7
352.14532	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	351.1435
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	2.1
55.01872	8.7
55.05500	10.1
57.03438	1.5
57.87432	1.1
59.87405	1.1
65.03919	2.4
67.05489	9.2
68.99780	2.3
69.03408	3.9
69.07046	5.5
69.07388	1.5
70.06592	1.7
70.07214	2.7
70.07623	5.0
71.04990	2.3
72.08142	1.6
79.05482	16.8
81.02953	1.0
81.03388	6.8
81.07045	13.7
83.04960	2.5
83.08593	3.5
85.02882	1.7
85.06532	2.0
91.04939	1.3
91.05471	16.1
93.03403	3.0
93.07032	9.1
93.68597	1.1
95.01289	1.8
95.04974	5.8
95.08600	6.0
97.02862	3.1
97.06507	1.8
97.10151	3.0
99.04380	1.8
103.05476	2.5
105.03386	3.4
105.07006	14.9
107.04952	7.6
107.08556	5.7
109.02854	5.1
109.06488	3.4
109.10141	3.7
111.08013	1.5
115.05430	4.3
117.06998	8.2
119.04944	4.3
119.08553	6.1
121.02844	4.0
121.06496	3.2
121.10102	3.9
123.04433	3.1
123.08049	1.8
125.02340	3.6
125.09621	1.3
127.03902	2.0
128.06218	2.5
129.06981	7.3
131.04884	4.5
131.08546	6.0
133.02806	2.3
133.06451	6.3
133.10112	8.3
135.04395	6.2
135.08069	2.4
137.05919	2.9
137.09612	1.8
139.03903	1.3
141.06952	4.0
142.07735	1.5
143.08528	4.8
145.06459	5.5
145.10104	5.4
147.04414	5.7
147.07979	2.0
147.11673	1.6
149.02315	5.6
149.05954	2.1
151.03897	3.5
151.11171	2.1
153.05490	1.3
155.03416	1.2
155.08589	3.3
157.06476	3.9
157.10098	1.8
159.04404	2.2
159.07973	2.1
159.11720	1.9
161.02379	2.3
161.05974	4.7
161.09602	5.0
163.03842	6.0
163.11150	2.8
165.01813	4.2
165.05551	1.9
165.06966	1.8
167.03302	2.5
167.08505	3.0
168.09428	1.4
169.06442	2.2
169.10161	2.5
171.04272	1.6
171.08032	3.4
171.11707	1.8
173.02321	1.3
173.05962	6.5
173.09543	1.8
175.03871	6.9
175.11197	2.0
177.05472	2.8
179.08575	1.9
179.10789	1.3
181.06422	1.5
181.10115	2.0
183.07977	3.0
185.05927	1.7
185.09669	3.1
187.03912	4.0
187.11151	3.0
189.05466	10.1
189.08989	2.1
191.03432	1.6
195.08044	1.6
195.11729	2.2
197.09570	2.0
199.03970	1.3
199.07533	2.2
199.11143	1.8
201.05457	1.9
205.04890	3.2
205.12175	2.2
213.12755	2.2
215.10681	2.6
217.04874	3.5
219.08142	1.5
221.04430	13.1
223.11180	3.6
225.09145	1.8
227.10690	2.6
231.08069	2.9
231.10115	1.7
233.11740	7.3
235.05991	2.9
241.12146	5.8
243.10210	2.3
243.13727	1.6
245.11719	2.1
245.22932	1.6
248.08226	2.3
251.10625	3.1
255.10172	2.1
259.07559	1.2
259.13217	5.6
267.06543	8.2
269.11682	9.2
271.13412	1.5
273.08966	1.8
275.07047	1.2
276.07657	3.2
277.10657	4.7
277.13629	1.4
279.10379	2.9
287.12720	9.7
290.09052	1.5
291.10138	3.0
297.11200	7.2
301.08578	1.6
303.12277	2.6
304.07297	2.1
305.08029	1.4
305.13763	6.6
315.12277	22.6
319.09607	9.9
320.10318	3.0
333.13290	100.0
334.13516	6.3
351.08490	2.2
351.12201	5.1
351.14935	2.3
351.29407	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	351.1434
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	3.3
54.46363	1.0
55.01865	9.8
55.05508	10.6
57.03416	2.6
57.07047	1.7
65.03926	2.3
67.05495	13.6
68.99774	1.3
69.03410	4.5
69.07056	4.3
70.06586	2.4
70.81113	3.8
71.04966	1.7
76.49529	1.1
79.05477	13.9
81.03416	8.9
81.07051	17.2
81.34838	1.2
83.01308	1.3
83.04980	3.4
83.08599	4.1
84.08134	1.4
85.02892	3.1
85.06535	2.0
91.05466	15.3
93.03394	2.3
93.07031	11.8
95.04980	6.3
95.08589	8.1
97.02882	1.5
97.06499	1.6
97.10147	3.7
103.05452	3.5
105.03372	2.8
105.07014	19.7
107.04945	7.2
107.08574	9.2
109.02874	5.2
109.06512	3.4
109.10119	6.0
111.08049	1.3
113.06025	1.4
115.05440	5.0
116.28568	1.1
117.07007	6.5
119.04941	5.2
119.08580	6.3
121.02853	3.2
121.06499	4.9
121.10124	4.5
123.04423	3.8
123.08046	3.0
123.11671	2.3
125.02296	2.3
125.06044	1.1
125.09609	1.9
127.03911	1.6
127.07529	1.4
128.06197	3.2
129.06984	5.6
131.04970	5.3
131.08537	7.2
133.02846	2.6
133.06476	4.9
133.10118	11.1
135.04407	4.8
135.08008	3.0
135.11671	2.6
136.07591	1.1
137.02249	1.5
137.05959	2.9
137.09586	2.3
137.89008	1.2
139.03807	1.4
141.07004	3.4
143.08525	4.0
145.02763	1.5
145.06439	7.3
145.10124	4.6
147.04355	5.3
147.08047	2.5
147.11667	2.9
149.02341	5.8
149.05986	2.1
149.09616	2.3
151.03917	2.5
151.07542	1.2
151.11154	2.8
152.54424	1.1
153.07019	2.5
155.03351	1.8
155.08539	4.6
157.06500	2.0
157.10124	3.3
159.04387	2.3
159.08090	3.0
159.11731	2.6
161.02374	2.2
161.05963	4.9
161.09589	5.8
163.03902	6.3
163.11153	4.7
165.01794	1.3
165.05525	2.2
165.06912	2.1
167.08551	2.7
169.10133	1.9
171.04381	2.5
171.08054	3.3
171.11641	3.1
173.05995	3.9
173.09621	2.4
175.03923	6.0
175.07533	1.9
175.11134	1.8
177.05470	2.7
177.12711	1.3
178.07726	1.4
179.03380	3.5
179.07150	1.2
179.08511	2.5
179.10719	1.6
181.04965	1.7
181.06534	1.5
181.10045	1.9
183.07944	1.9
185.09612	3.0
185.13309	1.8
187.03902	2.3
187.11145	2.0
189.01758	1.8
189.05455	7.9
189.06940	1.9
189.08955	1.6
191.03348	1.8
191.06999	1.3
193.12184	1.6
195.11752	2.1
197.13174	1.3
199.03915	2.0
199.07558	1.8
199.11232	3.0
201.05507	2.4
201.12708	1.7
202.07732	2.3
205.04881	1.9
205.12225	1.9
209.04364	1.5
209.09537	1.8
213.12737	3.2
215.08684	1.8
215.10649	3.4
217.04958	4.0
218.07324	1.8
219.08118	2.8
221.04427	15.8
223.11205	3.7
225.09016	3.1
227.10674	3.8
230.07271	2.5
231.07985	4.6
231.10078	1.7
232.08614	1.6
233.06032	1.9
233.09639	2.2
233.11674	6.5
235.05856	2.1
241.12216	5.4
243.10138	1.7
243.13797	1.9
247.07558	4.0
248.08324	3.9
249.10976	1.2
251.10674	4.0
255.10127	3.0
258.06671	2.1
259.07532	4.4
259.13303	4.0
260.08215	2.6
261.05420	2.3
261.11469	1.8
263.10657	1.5
267.06595	1.4
269.11731	9.3
271.13187	1.8
273.08929	5.9
275.06992	2.4
276.07755	7.9
277.08218	2.2
277.11063	2.5
279.10129	4.0
285.11221	1.4
287.12756	13.0
289.08453	2.7
290.09314	4.5
291.10101	4.2
297.11276	8.1
301.08572	3.0
303.12183	1.5
304.07300	5.4
305.08032	3.9
305.13846	7.1
315.12241	23.9
316.12668	1.7
319.09610	33.5
320.10361	6.9
333.13290	100.0
334.13486	7.1
351.11865	11.7
352.12640	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	351.1435
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	5.2
55.01858	19.2
55.05507	27.2
65.03921	5.9
67.05499	49.5
68.99774	13.4
69.03421	7.1
69.07047	10.2
69.53444	2.6
70.06551	2.7
70.30317	7.4
70.30732	6.5
71.01347	27.0
71.04970	5.0
72.08141	3.3
79.05489	42.3
81.03410	29.7
81.07050	31.2
83.04971	8.2
83.08604	10.8
85.02872	5.7
85.06541	6.2
91.05466	44.2
93.07029	25.5
95.01296	4.7
95.04961	29.5
95.08591	22.6
97.02869	12.5
97.06522	4.3
100.11262	9.0
103.05463	8.2
105.03359	9.1
105.07027	32.5
107.04935	24.9
107.08569	13.2
109.02864	14.6
109.06499	5.0
109.10133	26.5
110.58231	3.3
110.93655	2.5
111.00745	4.3
111.04425	6.4
111.08097	4.5
113.02338	3.4
115.05434	10.1
117.06989	18.0
119.04925	13.6
119.08578	21.7
121.02843	7.8
121.06492	13.6
121.10152	6.7
121.80118	3.3
123.00764	9.9
123.04399	12.5
123.08054	8.7
125.02345	5.3
125.09619	7.6
127.03977	4.2
128.06171	5.2
129.06984	19.5
131.04919	14.5
131.08565	13.7
133.02827	7.5
133.06441	14.1
133.10127	10.4
135.04402	30.1
137.05954	2.9
137.09607	8.9
141.01828	5.5
141.06956	13.0
142.07780	3.6
143.08534	13.7
145.06473	11.5
145.10135	6.2
147.04385	33.2
147.08031	5.4
147.11639	8.9
149.02325	11.9
149.06024	14.3
149.09663	4.7
151.03906	26.9
154.07823	4.2
155.08553	6.7
157.06470	8.0
157.10104	10.6
159.04407	10.4
159.08025	4.5
159.11653	6.5
161.02310	9.2
161.05991	17.8
161.09607	8.2
161.13199	3.0
163.03926	23.3
163.11191	6.1
165.01801	8.3
165.06976	4.3
167.03304	3.6
167.08537	5.9
169.06509	3.2
169.10124	4.7
171.04350	6.5
171.08047	4.4
171.11658	10.5
173.05956	13.4
173.09596	6.5
173.11713	13.0
175.03899	30.7
175.07549	3.6
175.11122	7.8
177.01851	7.2
177.05489	3.9
179.03352	22.1
179.07091	3.0
181.10054	4.8
185.05927	11.9
185.09584	4.6
187.03931	5.4
187.07489	5.8
187.11174	5.5
189.01825	6.2
189.05450	12.9
189.09029	3.4
189.12688	4.3
190.16711	2.7
191.03398	15.9
193.12245	9.8
194.15176	2.8
195.08063	6.2
195.11668	3.5
199.07594	3.6
199.11171	10.4
201.05348	6.2
201.09082	4.6
203.03401	11.9
203.10606	5.9
205.04881	5.2
209.09563	3.8
211.13297	9.4
213.05579	4.6
213.12627	3.8
215.10623	11.2
217.04968	9.1
217.12292	13.5
223.11220	5.8
225.09096	9.1
227.10706	7.6
241.12289	19.0
243.10153	9.3
243.13789	5.3
245.11711	12.4
248.08415	3.2
251.10689	9.5
253.08739	3.6
259.13303	9.3
261.11157	3.2
263.12686	6.7
269.11673	35.1
271.09692	4.2
271.13235	16.3
275.07120	3.1
276.07706	4.5
279.10071	8.0
287.12744	100.0
287.71777	4.0
288.13004	5.4
289.11075	3.2
289.14240	7.2
291.10037	3.1
297.11234	16.1
298.56158	3.0
305.13641	16.8
307.15265	22.9
315.12216	67.8
316.12567	4.3
319.09656	17.6
323.09189	5.6
333.13202	43.5
342.24298	4.3
342.73999	3.6
351.08447	23.7
351.14285	11.3
351.24680	20.5
351.74570	11.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1436
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	7.5
55.01863	3.6
55.05498	3.0
57.03430	1.4
57.07069	0.6
61.02919	0.9
62.08344	0.6
65.03948	0.8
67.05500	4.3
68.30560	0.5
69.03053	0.7
69.03425	12.1
69.07070	0.8
70.06588	2.8
71.04980	3.6
71.73275	1.0
72.08150	2.3
73.02924	0.7
79.05487	6.3
81.03411	100.0
81.07053	7.4
82.03740	1.0
83.04958	1.0
83.08598	0.5
84.04483	1.0
84.08118	1.4
85.02895	3.1
85.06546	1.6
86.09692	2.4
87.04449	0.8
91.05471	11.8
93.03392	0.6
93.07036	9.7
95.01320	3.0
95.04959	3.8
95.08584	4.0
97.02322	0.6
97.02859	2.7
97.06516	0.9
99.04450	9.6
99.05063	0.9
103.05424	1.4
105.07023	35.7
107.04944	3.9
107.08587	7.3
109.02869	39.5
109.06513	4.1
109.10120	2.7
110.03217	0.6
111.08082	2.4
113.06020	0.7
114.10278	1.0
115.05453	1.8
117.07041	2.7
119.04959	2.3
119.08568	5.9
120.08112	2.4
121.02865	1.7
121.06506	4.5
121.08427	1.0
121.10145	1.7
123.04414	1.1
123.08080	2.5
125.05980	0.5
127.03911	1.8
128.06232	4.0
129.07007	2.1
129.10214	0.6
130.06537	0.7
130.07658	0.9
131.04922	0.8
131.08585	3.0
133.06479	5.5
133.10120	31.8
135.08064	1.8
135.11702	1.3
137.02362	0.9
137.06000	2.6
137.09625	1.7
142.07756	0.7
143.08543	6.8
145.06516	1.5
145.10121	6.7
146.06053	0.5
146.07251	1.6
147.04478	0.8
147.08061	2.6
147.11684	1.3
149.06017	0.8
151.03917	3.3
151.07518	5.5
151.11169	2.8
159.08087	1.0
161.09607	37.0
162.09991	1.1
163.11179	9.9
163.12450	0.8
165.09175	0.8
171.08035	4.3
173.13249	0.7
174.06757	1.4
175.11148	1.0
175.14809	1.0
177.09157	0.6
179.10648	11.8
179.12094	0.9
185.13408	0.6
189.05531	0.9
189.09097	18.7
201.07602	2.3
207.02939	0.7
207.10133	9.6
207.11951	0.7
210.18623	0.6
213.07565	18.9
217.04958	1.8
225.11166	8.0
235.01494	0.7
237.01311	0.7
249.01100	0.6
305.13721	1.4
307.15598	1.0
319.09695	2.0
323.05780	1.4
323.09198	1.4
323.14886	1.3
333.13516	3.1
342.21204	0.7
351.04898	1.6
351.08765	7.3
351.14459	45.6
352.05441	1.4
352.14883	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1435
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.6
55.01867	7.7
55.05509	10.0
56.69125	0.9
56.96566	1.1
57.03439	1.2
65.03928	2.0
65.84502	0.9
67.05496	11.0
68.99786	1.0
69.03423	3.6
69.07066	5.1
69.89609	5.3
71.04987	1.8
72.08129	0.9
79.05477	14.1
81.03418	6.0
81.07052	11.3
83.01338	1.7
83.04972	2.6
83.08603	4.3
85.02884	2.1
89.03901	0.8
91.05474	16.3
93.03395	1.9
93.07036	8.6
95.01339	1.7
95.04958	5.6
95.08599	7.1
97.02888	2.8
97.06519	1.6
97.10131	2.8
98.20744	1.4
99.04442	1.4
102.79442	0.8
103.05444	3.3
105.03387	2.7
105.07017	17.2
107.04945	6.6
107.08585	4.4
109.02866	4.8
109.06499	2.6
109.10145	3.1
111.04433	1.6
115.05452	3.9
117.07008	7.6
119.04946	4.0
119.08564	6.2
121.02863	3.6
121.06497	4.1
121.10121	4.1
123.04420	2.9
123.08071	1.2
125.02341	2.6
125.09612	2.0
127.03942	1.8
128.06218	3.8
129.06998	6.7
131.04874	5.0
131.08571	6.0
133.02847	1.9
133.06490	4.6
133.10107	9.6
135.04395	5.9
135.08037	2.8
135.11678	1.7
139.03882	1.3
141.06981	5.1
142.07703	1.0
143.08548	4.9
145.02878	1.5
145.06476	5.8
145.10126	4.4
147.04402	5.7
147.08043	3.4
147.11758	1.8
149.02309	6.0
149.05920	2.3
149.09639	1.3
151.03886	3.5
151.11107	1.5
152.06311	1.1
153.06940	1.8
155.08568	3.9
157.06473	2.9
157.10159	4.1
159.04433	4.0
159.08087	2.9
159.11745	1.3
161.02310	1.8
161.05952	6.4
161.09602	6.5
163.03853	5.2
163.11148	2.9
165.01860	2.1
165.05606	1.9
165.06891	1.7
166.07777	1.3
167.03377	1.4
167.08496	2.0
169.06470	1.7
169.10126	3.5
171.04428	1.8
171.08046	3.1
171.11618	1.5
173.02350	1.7
173.05949	5.2
173.09599	1.9
175.03868	6.0
175.07544	1.4
175.11201	1.8
177.05437	3.9
179.03416	1.9
179.08511	1.6
181.04984	1.2
181.06430	1.4
181.10165	1.3
183.08006	1.5
183.11684	1.7
185.05959	2.6
185.09612	3.1
185.13309	1.1
187.03874	2.1
187.07498	1.7
187.11203	2.8
189.01855	1.0
189.05473	7.8
189.09142	2.9
191.03391	2.4
193.05058	1.2
195.08116	1.2
195.11646	2.7
197.09598	2.1
199.03781	1.9
199.11162	2.0
201.05421	1.6
203.03394	1.2
203.06990	1.2
203.10680	2.0
205.04988	2.3
205.10237	1.5
205.12222	1.7
207.11777	1.1
213.05521	1.3
213.12897	1.7
215.10678	3.0
215.14255	1.4
217.04938	3.3
217.12175	1.3
221.04436	10.3
223.05833	1.4
223.11191	2.8
225.09103	2.9
225.12732	1.4
227.10664	2.5
229.12210	1.0
231.06529	0.9
231.10207	1.8
231.13893	1.1
233.11725	8.8
235.06021	2.9
235.11111	1.2
241.12128	6.1
243.10139	1.9
243.13823	1.5
245.11726	1.6
251.10609	4.5
255.10126	2.1
259.09717	0.9
259.13272	4.9
261.11380	1.8
269.11768	8.1
271.13208	1.5
276.07904	1.0
277.10785	5.5
279.10141	2.9
285.11136	1.4
287.12756	12.9
289.10953	1.1
297.11133	8.3
303.12198	1.8
305.13834	7.3
315.12213	23.0
316.12402	1.5
319.09714	3.0
333.13303	100.0
334.13748	5.2
351.14807	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1222
Annotation	Indicanine C
Peak:m/z	Relative Intensity
50.39349	0.5
55.01910	0.7
55.05547	0.7
56.06523	0.6
68.61547	0.6
71.00362	1.1
100.11292	1.8
103.05537	0.9
105.03426	1.4
105.07050	0.6
110.06062	0.6
110.51477	0.6
115.05485	0.8
131.04921	1.3
137.06009	2.2
141.01845	0.9
141.11523	0.6
147.06813	0.6
161.06020	1.8
165.01797	4.8
165.02991	0.5
177.06992	0.7
182.15401	0.8
183.02895	2.2
187.07538	0.7
189.07101	2.3
190.07788	2.3
191.08603	2.2
192.09079	0.6
198.06723	0.8
199.07588	0.9
202.07755	8.6
203.08565	4.3
205.06465	3.0
206.07239	0.7
213.07033	0.7
215.08621	3.8
217.06514	1.2
218.07327	2.6
219.08044	7.6
220.08817	4.2
222.06706	0.7
229.06497	1.6
230.07246	7.7
231.08047	13.4
231.10347	0.8
232.08759	3.5
233.06009	3.6
233.09508	1.4
234.06706	1.5
235.07668	0.6
235.11507	0.6
237.09113	0.8
242.07365	1.2
243.08089	1.5
244.05118	0.7
244.08727	0.7
245.06003	1.9
245.09779	1.7
246.06754	5.5
247.07532	10.5
248.08322	9.0
248.10710	1.0
249.09058	1.7
255.06635	1.1
257.05978	1.0
258.06717	5.7
259.07553	10.1
260.08292	5.3
261.05533	6.1
261.08899	2.8
262.06277	1.6
262.09720	1.2
263.10574	3.0
265.08603	1.9
267.06497	32.7
268.06995	1.1
271.07474	0.8
273.05823	1.3
273.09067	17.7
274.06229	3.7
274.09628	2.0
275.06946	5.9
276.07803	18.5
277.08545	6.7
278.05826	0.8
287.06912	1.4
288.07773	0.8
289.05029	2.8
289.08575	9.3
290.05945	1.7
290.09296	14.5
291.10110	12.5
293.08017	3.3
296.89032	0.6
301.08600	9.8
304.07263	13.8
304.91299	0.6
305.08057	9.8
307.09677	1.0
308.10321	0.9
318.08859	2.6
319.09616	100.0
320.10287	16.0
321.07480	1.2
323.12643	1.3
336.09750	1.9
351.12216	35.2
352.12479	1.5
360.64981	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1436
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	3.1
55.01873	9.4
55.05503	12.1
57.03426	1.3
57.07062	1.2
65.03922	3.2
67.05495	15.7
68.99752	1.3
69.03421	5.3
69.07059	9.3
69.76709	7.5
70.06566	2.3
71.04979	2.0
72.08129	1.3
79.05483	14.2
81.03397	10.9
81.06603	1.8
81.07043	20.3
83.04952	3.0
83.08607	5.8
83.85968	0.9
84.08104	2.0
85.02876	4.4
85.06513	2.1
91.05468	20.8
93.03381	2.4
93.07027	13.7
95.01296	2.8
95.04971	6.2
95.08588	11.1
97.02857	1.9
97.06508	3.5
97.10136	3.5
99.04465	1.4
99.79453	1.1
103.05450	3.6
103.58428	1.1
105.03345	3.4
105.07016	32.7
107.04958	8.8
107.08582	11.0
109.02862	6.0
109.06496	5.4
109.10133	6.5
111.04421	1.4
111.08077	1.6
115.05413	4.4
116.06139	1.4
117.07012	7.6
119.04905	3.7
119.08566	9.3
121.02886	2.2
121.06466	4.0
121.10112	6.1
123.04422	2.6
123.08045	3.1
123.11687	2.3
125.02334	1.6
125.09605	2.6
127.03870	4.8
128.06219	2.5
129.06981	7.2
131.04898	4.5
131.08572	7.2
133.02788	1.3
133.06497	5.7
133.10118	17.9
135.04420	6.6
135.08049	2.7
135.11700	2.1
137.05959	3.9
137.09613	2.4
139.03850	1.7
141.06969	2.6
143.04973	1.0
143.08537	4.1
144.05656	1.3
145.02802	1.0
145.06473	8.4
145.10133	5.5
147.04381	6.4
147.07988	2.9
147.11682	3.6
149.02304	5.7
149.05963	2.9
149.09572	1.8
149.13208	2.2
151.03894	5.0
151.07481	1.7
151.11154	3.2
153.06967	2.4
154.07735	2.3
155.08513	4.1
157.06468	2.3
157.10075	4.7
159.04402	2.6
159.08055	2.7
159.11652	3.4
161.02325	1.4
161.05962	4.8
161.09599	12.3
161.13184	1.8
163.03854	3.7
163.11133	5.2
165.01880	2.5
165.06998	2.6
167.03398	1.4
167.08543	3.5
167.55106	1.2
169.06389	1.3
169.10097	3.2
171.04367	2.7
171.08018	5.1
171.11629	2.2
173.05957	4.8
173.09636	2.6
175.03870	6.7
175.07520	1.8
175.11209	2.7
177.05417	2.5
177.12689	1.3
179.03407	2.1
179.08470	1.7
179.10625	3.4
181.10065	2.4
182.11063	1.1
183.08049	2.1
183.11732	1.3
185.05946	2.4
185.09615	1.7
185.13251	1.2
187.03897	3.3
187.07565	1.5
187.11180	2.5
189.05444	7.4
189.09038	4.3
191.03215	2.1
193.04961	1.5
195.08055	1.6
195.11665	1.9
197.09610	1.5
199.03947	1.4
199.11064	2.9
201.05418	2.0
201.16367	1.1
203.03444	1.7
203.10638	2.1
205.04851	2.5
205.10168	1.5
205.12163	1.3
207.08046	1.0
207.10112	1.3
209.09557	1.5
209.13353	1.1
213.12685	3.9
215.10542	3.3
217.04932	4.5
217.12096	1.1
220.08839	1.1
221.04417	12.2
223.11154	2.9
225.09123	2.3
227.10594	3.5
231.10144	1.4
231.13780	1.5
233.11667	7.3
235.05942	3.7
239.10664	1.3
241.12158	6.6
243.10078	3.4
243.13815	1.5
245.11888	1.6
246.06689	1.1
248.08266	1.2
251.10629	4.2
253.12076	1.2
255.10173	2.6
257.11609	1.3
259.13251	4.7
261.11252	2.1
269.11679	9.8
276.07651	1.6
277.10706	3.3
277.13959	1.4
279.10226	1.8
287.12778	12.6
290.09305	1.2
291.09949	2.3
297.11118	6.6
303.12122	2.8
305.13831	6.7
315.12259	24.6
315.23267	2.0
319.09601	11.0
320.10150	2.1
333.13306	100.0
333.24118	2.2
334.13589	2.2
351.12219	5.9
351.14377	4.8
351.23431	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	351.1224
Annotation	Unknow
Peak:m/z	Relative Intensity
60.04452	3.3
65.32855	0.4
69.52355	4.0
74.29848	0.4
93.07005	0.5
103.90276	0.4
105.03326	0.4
107.04868	0.6
109.16951	0.4
113.51822	0.4
131.04846	0.8
145.06438	0.5
149.09470	0.4
151.99127	0.4
152.73766	0.4
152.92203	0.4
161.05945	0.5
177.06920	0.7
178.07794	0.5
189.06905	2.3
190.07805	2.3
191.08479	2.1
199.07430	0.6
202.07732	8.8
203.08542	4.0
204.09299	0.7
205.06505	3.4
205.09993	0.8
206.07127	0.8
213.06966	1.0
213.90479	0.4
214.07596	0.5
215.08542	3.2
217.06404	1.3
218.07227	4.6
219.08023	7.4
220.08803	5.1
221.09470	0.8
222.06702	0.5
226.07568	0.5
229.06488	1.5
230.07219	7.3
231.08022	13.5
232.08691	3.5
233.05959	3.7
233.09579	2.3
234.06750	1.9
235.07301	0.4
235.11087	0.6
237.09251	0.9
242.07195	1.2
243.07986	1.3
245.05978	2.5
245.09554	1.3
246.06714	6.0
247.07509	13.2
248.08269	10.3
249.09033	2.0
250.06151	0.8
257.06140	0.7
258.06711	5.3
259.07526	10.0
260.08279	6.6
261.05444	5.7
261.08859	3.1
262.06192	2.8
262.09756	1.6
263.06726	0.5
263.08163	0.5
263.10629	3.9
265.08688	2.3
266.05728	0.6
271.07449	0.4
272.08231	0.8
273.05823	1.2
273.09064	19.0
274.06146	5.1
274.09564	1.6
275.06949	9.3
276.07779	20.7
277.08527	6.0
278.09088	0.6
286.05984	0.6
287.06888	2.2
288.07742	1.1
289.04935	4.3
289.08545	9.7
290.05780	1.4
290.09317	13.9
291.10104	15.4
292.10559	1.0
293.07968	3.7
297.25949	0.4
301.08554	11.1
301.11981	0.8
302.08997	0.5
303.06543	1.6
304.07281	16.2
305.08066	9.3
306.08524	0.6
308.10397	1.1
318.08826	2.6
319.09604	100.0
320.10266	18.9
320.14108	0.8
321.07465	1.2
321.10870	0.9
323.12964	0.6
333.28146	0.7
336.09799	2.9
351.12234	30.7
351.29370	1.3
352.12595	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1223
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	3.7
55.05506	1.6
60.04494	0.6
67.05497	3.1
69.03421	1.4
69.07052	0.7
71.04975	0.8
76.86076	0.6
79.05477	2.1
81.03405	2.0
81.07046	4.1
83.01311	0.7
83.04959	0.9
83.22382	0.6
85.02896	1.4
91.05466	3.0
93.07034	2.8
95.01324	2.8
95.04948	1.7
95.08585	2.6
97.02890	1.8
98.20659	1.2
103.05483	0.8
105.03387	2.3
105.07024	2.9
107.04941	1.5
107.08565	1.6
109.02868	0.6
109.06511	0.7
109.10158	1.9
117.07001	1.0
119.04890	0.6
119.08537	1.3
120.08032	1.0
121.02862	0.6
121.06532	0.7
121.10122	1.3
123.04441	1.1
123.08118	0.7
125.02311	0.7
129.21089	0.5
131.04907	1.1
131.08586	0.8
133.10126	2.1
135.04425	0.8
135.08095	0.6
137.02333	1.3
137.05859	0.6
137.09605	1.9
141.01822	3.5
145.10126	0.7
147.04401	0.9
147.11711	0.7
149.05939	0.8
151.03909	4.3
159.04369	0.6
159.08061	0.9
159.11749	0.6
161.09544	1.4
165.01823	12.2
178.07774	1.0
183.02892	6.9
189.06989	2.0
190.07706	2.1
191.08553	2.3
192.09325	0.6
202.07764	10.3
203.08591	4.7
204.09142	0.7
205.06464	3.9
205.10193	0.7
206.07169	0.9
209.09248	0.7
215.08569	3.5
217.06453	1.8
218.07242	3.4
219.08066	8.8
220.08752	6.0
221.09290	0.7
222.06778	0.6
229.06454	1.6
229.87088	0.6
230.07256	8.6
231.08015	13.9
232.08809	4.3
233.05894	4.9
233.09593	2.1
234.06644	2.4
235.07567	1.2
237.09120	0.7
242.07187	1.3
243.08090	1.7
245.06038	3.3
245.09540	1.7
246.06726	6.4
247.07501	13.5
248.08315	9.9
249.08994	2.7
250.06297	1.0
255.06465	2.2
257.06070	0.7
258.06735	6.3
259.07513	9.6
260.08270	6.5
261.05524	6.1
261.09012	3.7
262.06317	2.5
262.09885	1.5
263.07022	0.8
263.10675	4.0
265.08524	1.9
267.06497	87.8
268.06882	5.5
272.08401	0.8
273.05801	1.5
273.09052	22.2
274.06204	3.7
274.09561	2.2
275.07037	8.1
276.07809	20.0
277.08539	7.1
278.05606	0.7
280.07477	0.5
286.06287	0.8
287.06961	1.7
288.07736	1.6
289.05011	4.3
289.08575	10.6
290.05972	1.1
290.09308	16.6
291.10098	17.0
292.10641	1.3
293.07947	3.9
301.08560	10.1
302.09045	0.7
303.06476	1.3
304.03738	0.9
304.07260	17.3
305.08066	10.7
308.10486	0.7
315.36053	0.6
318.08786	2.2
319.09619	100.0
320.10287	22.2
321.07458	1.5
321.10864	1.3
323.12521	0.8
333.07138	0.8
333.13419	0.8
336.09937	2.3
351.08389	4.6
351.11981	33.2
352.08759	0.7
352.12698	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	351.0683
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13036	1.7
70.05492	6.6
70.93146	1.8
77.11106	1.6
152.02217	2.0
351.06845	100.0
352.07132	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	351.0682
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96567	1.6
58.21118	1.6
59.23957	1.5
63.98040	1.5
69.03431	1.7
69.84814	11.2
85.02883	2.9
88.99181	1.6
97.02870	1.9
103.00623	3.9
109.64558	1.6
116.98647	2.0
119.01933	5.8
121.01678	13.2
128.98572	1.6
132.95811	2.2
133.01643	9.1
139.02745	3.1
145.01598	2.6
147.04333	2.9
148.76930	1.6
163.02802	2.0
170.99547	3.0
173.02922	1.8
175.02719	2.8
189.00673	6.1
189.05977	1.8
198.98982	2.2
201.00549	2.3
215.00514	2.1
217.00111	12.1
219.01730	1.7
221.05157	2.0
231.01662	4.3
243.01981	2.3
249.02715	15.4
261.02853	4.5
261.16464	1.7
272.04251	2.4
279.03793	1.6
291.03915	2.6
291.09311	3.4
351.06866	100.0
351.12509	45.8
352.07175	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	351.0683
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98511	2.6
58.79779	2.6
66.12434	1.9
70.06584	3.0
70.09760	1.9
71.11991	2.8
71.12341	4.3
80.22013	2.3
84.08138	2.6
84.51385	1.9
96.92226	2.7
98.97592	2.6
101.00866	2.2
114.85104	2.3
121.06065	2.1
147.95035	2.2
177.81978	2.4
249.02768	2.5
309.08008	2.7
350.99966	2.9
351.06833	93.6
351.12540	100.0
352.07236	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	351.1049
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05019	2.0
56.96561	20.4
61.02901	2.2
62.20327	1.9
67.05491	2.8
69.03423	6.0
69.82768	14.7
70.06574	9.2
71.55751	2.1
72.08144	5.7
72.93781	3.9
73.02908	3.3
79.05496	2.3
81.03421	3.2
84.08129	14.9
84.96032	3.4
85.02895	10.6
86.09698	4.9
97.02905	5.1
98.97572	49.8
105.04258	1.9
107.04944	2.7
110.97565	5.6
116.22387	2.1
116.83797	2.1
116.98604	43.5
119.01914	2.0
119.04906	2.6
120.08094	5.6
124.07704	2.6
128.98575	10.4
129.10246	6.1
133.06387	1.9
134.99638	21.9
136.06157	2.4
136.07626	1.9
145.51607	2.4
146.99660	9.6
147.03247	3.1
147.04375	3.8
147.11227	2.3
149.01247	2.3
150.05417	1.9
153.00648	2.8
158.01291	2.2
158.97449	2.1
158.99629	17.3
161.01251	4.0
163.02744	5.7
163.04016	2.1
165.04369	5.1
165.87146	2.3
170.99678	4.1
175.02844	2.4
177.00700	26.0
177.02097	3.6
177.10187	2.7
184.28212	2.2
184.88345	2.1
189.00652	4.2
189.04321	3.0
189.06567	10.2
190.05014	2.7
195.01741	2.5
200.02167	2.8
201.00684	3.1
201.10010	2.3
207.03337	4.2
207.05280	4.6
210.14929	6.0
219.01726	20.3
234.99034	5.0
237.02803	32.0
291.07526	25.0
297.63217	2.6
309.08533	66.1
332.10263	4.8
351.10425	100.0
352.10397	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	350.2899
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	5.3
56.04787	0.7
56.05031	2.7
57.03421	1.0
57.07086	0.8
60.04519	100.0
61.04848	0.7
67.05502	11.0
68.05048	1.0
69.07067	6.2
69.73914	5.4
70.06595	2.0
71.05004	1.2
72.04508	2.7
72.08147	0.6
74.06081	1.7
79.05489	6.6
80.05019	1.8
81.03432	0.7
81.07050	12.9
82.06562	1.2
83.04974	1.2
83.08597	3.3
84.04494	1.4
84.08157	0.8
86.06075	1.1
86.09686	1.4
90.05547	0.8
91.05477	4.2
91.95940	0.6
93.07032	5.9
94.06562	1.5
95.04951	1.1
95.08586	10.7
96.08131	1.0
97.06527	0.9
97.10161	1.1
98.06069	1.0
102.05537	1.8
105.06986	3.3
107.08558	3.7
109.10137	4.5
116.07078	1.2
117.07021	1.2
119.08564	1.7
121.06519	0.7
121.10136	4.1
123.11716	2.0
131.04889	0.8
131.08551	2.0
133.06514	1.7
133.10161	1.8
135.11702	3.1
137.05966	3.6
137.13243	1.0
145.10114	0.8
149.13255	2.0
157.06393	0.7
161.05994	3.8
161.13353	0.7
163.07494	0.9
163.14821	1.1
193.42940	0.7
202.07799	2.4
203.08578	1.6
205.06477	0.8
215.08685	0.8
218.07222	1.2
219.08055	2.1
219.20898	1.3
230.07256	1.2
231.08051	4.2
232.08801	1.0
233.05939	2.0
245.09703	0.9
246.06786	1.4
247.07579	3.8
248.08246	3.3
248.23796	0.9
258.06693	2.4
259.07559	3.4
260.08298	1.3
260.23679	1.5
261.05478	2.0
261.09042	1.2
263.10638	1.3
265.08588	0.8
273.09064	7.7
275.07034	2.0
276.07819	6.4
277.08603	2.0
278.24744	5.7
279.23114	1.0
288.07651	0.8
289.05316	1.2
289.08636	3.7
290.09332	5.5
291.07315	0.7
291.10034	3.9
293.08160	1.5
296.25800	14.4
301.08463	3.6
304.07300	4.9
305.08026	3.0
314.26852	18.3
315.27246	1.4
319.09613	40.5
320.10587	4.6
332.27911	36.8
333.28122	1.9
336.09607	1.3
350.28961	51.1
351.12219	13.3
351.16000	2.5
351.29413	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.2897
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.7
55.05513	3.8
56.05027	4.2
57.03444	0.7
59.95394	0.7
60.04519	100.0
61.04843	1.2
65.03915	0.9
66.82781	0.6
67.05492	10.3
69.03472	0.7
69.07063	4.6
70.06581	2.1
71.20026	1.2
72.04508	1.1
74.06071	2.5
79.05490	5.0
80.05012	1.1
81.07047	10.3
82.06574	1.6
83.08602	1.7
84.08132	1.1
86.06075	0.8
91.05467	3.1
93.07021	4.2
94.06538	0.8
95.04963	1.0
95.08596	8.6
102.55506	0.7
105.07009	2.3
107.08577	2.4
109.10156	4.5
110.99723	0.7
117.07036	1.0
119.08575	2.1
121.10133	2.2
123.11681	1.6
131.08525	1.7
133.10136	0.9
135.11694	2.0
137.05981	0.7
145.10110	1.0
149.13242	0.9
173.93616	0.8
175.07553	2.1
177.09061	0.8
179.17781	0.7
201.09074	1.6
229.08560	1.1
247.09634	2.6
260.23712	2.1
261.22012	0.8
266.24796	1.4
278.24783	8.7
296.25824	11.5
314.26849	13.6
315.27029	0.9
332.27899	33.4
332.31909	1.7
333.28256	2.9
350.28961	54.2
351.29251	4.3
352.14145	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.2897
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.7
55.05513	3.8
56.05027	4.2
57.03444	0.7
59.95394	0.7
60.04519	100.0
61.04843	1.2
65.03915	0.9
66.82781	0.6
67.05492	10.3
69.03472	0.7
69.07063	4.6
70.06581	2.1
71.20026	1.2
72.04508	1.1
74.06071	2.5
79.05490	5.0
80.05012	1.1
81.07047	10.3
82.06574	1.6
83.08602	1.7
84.08132	1.1
86.06075	0.8
91.05467	3.1
93.07021	4.2
94.06538	0.8
95.04963	1.0
95.08596	8.6
102.55506	0.7
105.07009	2.3
107.08577	2.4
109.10156	4.5
110.99723	0.7
117.07036	1.0
119.08575	2.1
121.10133	2.2
123.11681	1.6
131.08525	1.7
133.10136	0.9
135.11694	2.0
137.05981	0.7
145.10110	1.0
149.13242	0.9
173.93616	0.8
175.07553	2.1
177.09061	0.8
179.17781	0.7
201.09074	1.6
229.08560	1.1
247.09634	2.6
260.23712	2.1
261.22012	0.8
266.24796	1.4
278.24783	8.7
296.25824	11.5
314.26849	13.6
315.27029	0.9
332.27899	33.4
332.31909	1.7
333.28256	2.9
350.28961	54.2
351.29251	4.3
352.14145	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.2318
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57928	1.5
53.03930	3.4
55.01863	9.1
55.05507	15.1
56.05011	2.1
56.20757	1.7
57.03429	6.7
57.07058	3.2
58.06593	17.1
60.04518	15.0
65.03936	2.7
67.04227	2.1
67.05496	42.8
68.05016	15.3
68.05826	4.9
69.03420	1.9
69.07059	22.2
70.06569	4.1
71.04990	10.1
71.08607	2.4
71.20669	4.1
72.08145	3.4
73.12678	1.5
79.05484	30.6
80.05820	4.3
81.03397	9.4
81.07051	48.7
82.06580	8.4
82.07387	6.7
83.04977	5.8
83.08599	7.7
84.08131	17.7
85.06524	3.8
86.09706	15.8
91.05470	26.9
92.05809	4.0
93.07032	30.5
94.07371	4.8
95.04961	10.8
95.08591	22.8
96.08120	100.0
97.06510	6.1
97.08907	4.8
97.10149	3.7
98.09680	3.3
99.08073	3.6
100.07636	2.9
105.07011	22.3
106.07354	6.1
107.04946	9.1
107.08572	16.1
108.08138	3.6
108.08862	3.2
109.06525	11.2
109.10135	10.4
110.09676	2.3
110.10444	1.7
111.08074	6.5
112.07589	40.0
113.09644	3.0
117.06998	16.4
118.07327	2.2
119.08572	17.1
120.08112	2.8
120.08929	3.9
121.06517	7.6
121.10111	13.1
122.09660	1.9
122.10489	1.8
123.08049	4.5
123.11663	1.8
124.07581	7.2
126.09129	3.0
128.10704	24.7
129.06992	5.1
131.08554	14.6
131.10089	1.6
132.08920	3.8
133.10130	16.1
134.09618	1.8
134.10504	2.4
135.08034	7.9
135.11652	11.8
137.05940	4.1
137.09587	2.2
138.09105	18.4
143.08499	4.1
145.06467	2.3
145.10144	13.2
146.10449	5.0
147.08011	3.7
147.11633	7.3
148.12088	2.1
149.09636	5.1
149.13252	4.1
151.11185	2.6
155.08530	2.7
157.10129	7.3
159.11725	9.3
160.12125	2.7
161.09569	4.3
163.11174	6.2
165.12794	2.9
169.10158	2.2
171.11821	4.7
173.09630	2.8
173.13206	3.0
175.11185	3.3
177.12749	3.0
182.33488	1.6
185.13147	2.6
187.11107	2.4
189.80127	1.7
191.10522	1.7
195.13919	1.6
216.49387	1.6
219.13843	2.7
223.13304	2.6
240.18364	1.8
244.97865	1.7
245.19069	2.1
255.17627	2.9
258.19293	6.0
259.20453	3.3
272.20056	2.0
273.18420	11.2
276.20435	6.7
277.21622	6.4
279.61746	1.4
290.21127	13.5
291.19531	8.0
308.22119	10.9
332.22174	7.3
350.19971	14.7
350.23502	68.7
351.19547	1.6
351.25177	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	350.1344
Annotation	MITOMYCIN B
Peak:m/z	Relative Intensity
53.03923	1.1
55.01862	1.2
55.05488	0.4
56.05010	0.6
57.03442	2.8
60.04233	0.5
60.04520	9.3
61.02927	2.1
66.96338	0.2
67.05487	1.2
69.03422	8.2
69.07053	0.4
70.06608	1.4
70.06910	0.3
70.34921	0.3
71.01349	0.6
71.04990	2.5
72.08160	1.7
73.02909	1.0
74.06033	0.3
78.73918	0.3
79.05474	1.3
81.03423	2.1
81.07044	1.6
82.02127	0.3
84.04470	0.3
84.08122	0.8
85.02876	0.4
86.09686	0.7
87.04462	0.3
89.14842	0.3
91.05473	1.7
93.07037	0.9
95.04935	0.3
95.06076	0.4
95.08587	0.9
97.02853	0.9
99.04459	1.9
105.03400	0.4
105.07052	0.8
107.04918	0.3
107.08552	0.9
108.08066	0.3
109.06489	0.3
109.10168	0.5
116.04960	0.7
117.05502	0.5
117.06980	0.3
118.06526	3.1
119.08576	0.4
120.08076	0.9
121.10123	0.4
129.10178	0.4
131.05051	0.3
131.06021	0.3
132.06775	0.5
132.08067	1.3
133.10155	0.3
135.11656	0.3
141.01862	0.6
143.08505	0.3
145.07597	14.3
146.08347	0.8
147.09155	19.7
157.07581	0.9
159.07883	0.6
159.09158	8.4
160.09912	1.4
161.10725	0.5
165.01842	3.1
170.08437	0.3
170.27036	0.2
171.09117	0.5
173.07138	1.2
173.10747	1.3
175.08646	1.2
182.08391	0.3
182.92494	0.3
183.02876	1.9
183.09241	0.3
184.09929	0.5
185.10730	2.5
186.11510	0.5
187.08673	0.9
187.12256	0.9
189.10225	1.1
191.08136	100.0
192.08514	1.8
193.08485	0.3
197.10765	1.2
199.08720	0.8
199.12302	1.2
200.09300	0.3
201.10126	0.8
213.10204	1.3
215.11757	2.1
216.07678	9.2
225.10335	1.0
227.11821	0.5
231.11334	0.6
233.09264	0.6
240.08035	0.3
243.11383	0.6
245.09262	0.3
245.12851	0.5
255.06447	0.9
262.21646	0.8
263.13898	6.6
267.06500	19.1
271.10785	0.9
278.24786	0.9
289.08679	0.5
289.11743	3.7
289.59973	0.3
296.25714	1.2
307.12848	52.0
308.13135	1.5
314.26868	1.3
319.09525	0.6
332.27969	2.9
333.07370	0.3
333.29086	0.5
350.13437	46.2
350.28851	4.8
351.08615	2.9
351.13748	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.1266
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.9
55.05511	0.6
56.05029	1.1
57.03411	0.9
58.99580	1.2
60.04525	0.5
61.02912	1.6
65.03933	5.5
69.03420	4.6
70.06589	4.9
71.04971	0.7
72.08155	1.3
79.05488	0.5
79.96699	0.5
80.05010	0.5
81.03408	2.3
83.08614	0.6
84.04488	1.0
84.08142	3.7
85.01143	0.6
85.02392	0.8
85.02899	12.7
86.09682	1.6
87.04457	1.0
89.13166	0.4
91.03938	0.8
91.05476	1.1
93.07026	0.6
94.06545	1.9
95.04918	0.6
97.01090	1.4
97.02895	3.7
99.02673	7.6
99.04428	0.6
109.02872	1.4
110.07163	1.1
116.07035	0.8
119.08438	0.5
120.08128	0.6
123.07996	0.5
126.03724	3.1
126.09123	0.6
127.03886	2.0
127.04655	0.9
128.07085	0.7
129.10258	0.8
130.06462	0.6
136.07596	0.5
139.04582	0.5
140.05261	2.7
145.04944	1.9
146.05983	0.6
147.04424	1.0
152.05281	100.0
153.05519	1.9
153.34752	0.5
154.06845	7.2
158.05975	0.5
164.07184	0.5
166.08694	0.5
170.06342	31.3
171.06528	0.6
188.07387	16.4
242.37253	0.5
327.46271	0.4
332.11560	13.3
350.12585	5.5
350.20697	1.4
351.07028	0.6
351.15323	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2946
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18277	1.2
55.01873	1.2
55.05509	3.6
57.03432	1.2
57.07072	100.0
59.04998	15.4
67.05489	6.0
69.07054	5.2
71.08625	93.9
71.41584	1.2
71.72683	1.6
72.08970	3.0
79.05483	4.7
81.03429	1.5
81.07057	8.1
83.08603	4.6
83.16693	1.3
85.10175	96.1
89.06028	27.8
91.05492	2.2
93.07016	3.9
95.04930	1.4
95.08597	4.4
97.10106	1.3
99.11730	8.2
105.07027	4.3
107.08594	4.7
109.06532	3.2
109.10129	2.0
109.54255	1.2
111.11745	1.4
117.07087	1.3
119.08561	4.3
121.10124	2.1
123.08066	2.7
131.08516	2.1
133.08600	14.5
133.10121	3.2
141.16365	3.7
145.10097	2.6
147.11667	3.0
151.09647	7.1
151.11122	1.6
159.11746	1.7
177.45180	1.5
179.10765	1.2
179.14313	4.9
183.11623	1.5
185.13316	1.4
195.12289	2.8
197.15968	1.2
199.20526	2.4
201.40926	1.2
208.76289	1.3
209.13879	1.2
275.20081	5.5
349.23618	4.9
349.27441	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	349.2735
Annotation	Aglatomin A
Peak:m/z	Relative Intensity
53.03927	0.5
55.01856	0.5
55.05285	0.5
55.05509	5.9
57.03423	0.6
57.07053	1.3
59.04960	0.5
67.05496	5.7
69.07061	10.0
70.91875	1.2
70.92211	1.0
71.04972	1.2
71.08617	0.8
73.79006	0.5
75.96371	0.4
77.79229	0.4
79.05476	4.8
81.06602	0.8
81.07047	9.7
83.04956	0.7
83.08601	3.8
83.78558	0.5
85.06514	0.7
87.08115	0.5
91.05451	3.0
93.07040	6.0
95.04944	1.4
95.08606	8.2
97.06506	2.4
99.08083	0.9
105.07008	2.7
107.08578	6.4
109.05737	0.6
109.06506	11.5
109.10149	3.8
111.08061	2.6
117.06948	0.5
119.08576	4.0
121.06492	0.7
121.10113	3.9
122.07251	0.8
123.08057	64.8
123.11684	2.0
124.08392	1.3
125.09570	0.5
126.82108	0.5
131.08525	1.5
131.52881	0.5
133.10091	2.6
135.08037	5.4
135.11682	1.9
137.09598	4.0
137.13277	0.8
145.10123	2.3
147.11668	2.4
149.09604	1.5
149.13246	1.3
159.11710	0.8
161.13240	0.8
163.11162	0.6
163.14772	0.7
165.12810	0.8
173.13277	1.0
179.14294	12.2
187.14885	0.9
215.14346	1.0
224.78973	0.5
233.15358	2.7
275.19974	2.6
281.21353	0.7
289.25208	1.4
293.21069	17.5
303.26761	0.6
331.26239	4.2
349.27341	100.0
350.27716	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	349.2733
Annotation	Aglatomin A
Peak:m/z	Relative Intensity
55.01848	0.6
55.05505	5.2
57.07047	1.5
67.05503	4.7
69.07060	9.2
70.46571	1.4
71.04967	0.8
73.06538	0.8
79.05491	3.3
81.07045	7.8
83.04963	0.9
83.08607	3.1
85.06496	0.9
91.05460	2.0
93.07031	4.7
93.07540	0.8
95.08602	7.7
97.06508	1.7
97.10198	0.6
105.07017	2.2
107.08556	5.4
109.06506	9.2
109.10155	3.1
111.08046	2.0
112.16431	0.5
119.08558	3.2
121.10131	3.2
121.43045	0.5
123.08050	62.5
123.11681	1.7
124.08371	0.7
125.09602	0.7
133.10127	2.3
135.08046	5.3
135.11670	2.3
137.09607	4.0
137.13181	0.9
145.10110	1.0
147.11624	2.0
149.09592	0.9
149.13225	2.1
151.11153	0.9
159.11620	1.1
159.14474	0.5
161.13249	1.3
163.11201	0.7
177.12747	1.0
179.14310	3.4
233.19029	0.8
275.19937	1.4
283.47849	0.5
293.21060	16.9
294.21552	0.7
307.22516	1.0
331.26312	3.2
349.27332	100.0
350.27704	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	349.2735
Annotation	Aglatomin A
Peak:m/z	Relative Intensity
53.13024	0.4
55.01866	1.0
55.05509	6.0
57.03432	0.5
57.07061	1.2
67.05505	5.6
69.03412	0.5
69.07061	11.0
71.04980	1.5
71.08630	0.6
73.06531	0.4
79.05490	3.9
80.05781	0.4
81.07050	9.3
83.04974	0.8
83.08617	3.7
85.06541	0.8
91.05474	2.9
93.07047	5.2
95.04965	0.8
95.08604	7.9
97.06531	1.8
97.10143	1.3
98.21468	0.8
100.64510	0.4
105.07019	3.6
105.66329	0.4
107.08581	6.0
109.06508	9.4
109.10144	3.9
111.08062	1.9
119.08601	3.0
121.06541	0.5
121.10136	3.5
122.07308	0.6
123.08059	65.1
123.11697	1.6
124.08366	0.8
125.09646	0.5
131.08563	1.5
133.10114	3.3
135.08058	4.7
135.11693	2.5
137.09607	4.0
137.13274	0.7
138.60390	0.5
145.10146	2.5
147.11691	2.1
149.09641	1.3
149.13257	1.7
151.11270	0.6
159.11674	1.5
161.13269	1.7
163.11223	0.9
165.12782	0.9
167.14426	0.5
173.13338	0.6
177.12753	0.8
179.14301	4.9
233.18916	0.7
275.19925	2.0
289.25204	1.3
293.21091	18.0
294.21387	0.6
307.22708	1.2
331.26416	3.8
338.89658	0.4
349.27350	100.0
350.27737	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	349.2733
Annotation	Aglatomin A
Peak:m/z	Relative Intensity
55.05490	3.4
57.07061	4.4
66.58546	0.9
67.05480	2.5
69.07056	2.6
71.08610	2.8
71.75529	1.3
71.75874	1.0
73.70067	0.9
76.06128	0.9
79.05474	2.7
79.95889	0.8
81.07046	7.0
85.06512	2.5
91.05468	1.4
93.07022	2.8
95.08608	4.7
98.21201	1.1
99.08078	3.0
105.07030	2.2
107.08570	2.5
109.06516	16.9
109.10122	2.8
119.08599	2.5
121.10155	1.6
122.07281	2.0
123.08065	24.6
131.08524	1.0
133.10104	1.8
135.08031	3.4
137.09608	1.2
149.09599	1.1
179.14297	100.0
180.14613	2.1
193.15884	2.5
252.95772	0.9
260.28458	0.9
331.26279	1.6
331.66556	0.9
337.56647	1.1
349.27353	84.8
350.27582	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	349.2367
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	3.1
55.01860	5.9
55.05507	16.1
57.03431	17.9
57.07053	3.1
62.77514	0.7
63.66731	0.7
65.03925	1.7
67.05496	39.5
69.03403	3.0
69.06689	1.1
69.07059	21.9
70.33189	0.6
70.73789	3.2
71.00343	0.8
71.04971	2.8
71.08610	0.9
79.05482	32.1
81.03387	1.4
81.07045	46.5
83.04963	8.0
83.08611	7.3
85.06519	2.1
91.05470	35.3
93.07034	40.3
95.04957	11.3
95.08010	1.5
95.08593	26.7
97.06508	6.3
97.10135	3.8
98.98434	1.1
103.05458	1.7
105.07012	33.5
107.04323	1.0
107.04947	10.4
107.08580	24.4
109.05760	0.8
109.06506	14.1
109.10150	11.3
111.08054	2.8
115.05414	1.0
117.07008	10.6
119.08566	22.2
119.09410	1.4
121.06501	14.5
121.10129	13.1
123.08045	6.6
123.11687	3.6
125.09565	1.6
128.06180	0.9
129.06964	4.4
130.07738	0.7
131.08551	24.1
133.06451	3.6
133.10109	25.1
135.08046	7.6
135.11671	8.3
137.05984	0.8
137.09618	3.7
137.13171	1.2
141.06964	1.7
142.07742	0.9
143.08548	3.9
144.09383	0.8
145.06465	2.4
145.10103	19.8
147.08002	4.0
147.10568	1.5
147.11661	15.8
149.09595	9.4
149.13205	4.5
150.09908	0.9
151.11160	6.7
155.00977	1.4
155.08516	2.4
157.10083	4.4
159.08031	3.0
159.11673	14.4
161.09616	4.3
161.13232	5.2
162.14738	0.8
163.11148	11.0
165.12733	1.8
169.10129	3.2
171.11673	3.6
173.09604	3.0
173.13232	8.1
175.11250	3.7
175.14827	1.4
177.12720	4.0
179.14339	0.9
183.11656	3.8
185.13239	2.1
187.11191	3.3
187.12796	0.8
187.14758	1.5
189.12752	1.4
191.14250	3.6
195.13737	1.2
197.13206	2.7
199.14847	1.2
201.12729	4.3
207.13780	3.8
211.14738	1.0
215.14340	2.6
215.17899	2.6
219.13742	3.4
219.17340	2.2
229.19389	5.6
233.15208	1.5
233.19066	1.3
237.93579	0.7
239.17932	5.6
247.20552	6.8
257.18967	16.5
258.19269	1.0
275.20035	100.0
276.20523	4.9
293.21091	6.2
349.19901	2.2
349.23682	34.8
350.23816	2.5
360.86624	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2369
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.8
55.01871	4.7
55.05505	12.0
56.72724	0.6
57.03429	9.0
57.07066	1.3
65.03928	1.5
67.05496	24.2
69.03439	1.1
69.07066	10.9
69.54340	2.2
69.54758	4.6
71.04977	2.8
71.08642	0.7
79.05485	38.2
80.05807	0.9
80.06264	0.7
81.03416	3.2
81.07046	100.0
82.07401	1.3
83.04967	5.0
83.08618	6.2
85.06532	1.5
91.05468	23.3
92.05785	1.0
93.07028	20.9
93.07581	1.3
94.85786	0.7
95.01342	1.1
95.04944	8.6
95.08597	17.9
97.06519	5.4
97.10146	1.6
99.08086	2.1
105.07016	24.6
107.04932	5.9
107.08584	15.3
109.06505	43.5
109.10145	6.2
110.06823	0.8
111.08066	2.3
116.74137	0.8
117.07014	8.3
117.85426	0.8
119.08565	19.6
121.06499	4.5
121.10128	9.5
123.08057	4.9
123.11722	3.4
125.09590	1.3
128.06203	1.1
129.07007	3.4
131.08556	11.0
133.06522	1.1
133.10109	16.3
135.08054	3.5
135.11662	3.9
137.09613	3.3
143.08568	2.3
145.06427	1.0
145.10098	11.7
147.08069	2.1
147.11670	12.1
149.09616	5.8
149.13237	8.7
151.11148	3.5
155.08556	1.6
157.10153	3.2
159.11678	8.0
161.09648	2.3
161.13255	2.9
163.11174	6.0
163.14838	3.3
165.12769	1.9
169.10077	1.7
171.11690	2.1
173.09636	1.0
173.13239	5.2
174.81685	0.8
175.11195	3.2
175.14851	1.2
177.12772	1.1
179.14334	1.3
183.11752	2.6
187.11215	1.8
187.14903	1.7
189.16440	1.0
191.14241	1.2
193.12279	2.0
197.13292	1.2
199.14920	0.7
201.12776	1.0
205.12134	0.9
205.15884	0.9
207.13947	1.5
215.14297	1.0
215.18004	0.9
219.13754	1.8
229.19591	3.2
233.15421	1.3
239.17928	3.6
247.20586	5.9
257.18973	8.2
275.20044	47.4
276.20462	3.0
293.21164	2.3
295.93533	0.8
333.26480	0.8
349.19788	4.4
349.23654	22.2
350.24048	1.1
367.30600	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2368
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	4.0
55.01867	3.9
55.05503	10.0
56.96558	1.2
57.03429	7.8
57.07064	1.3
65.03921	1.9
66.04721	0.9
67.05136	1.5
67.05493	25.9
68.07081	0.8
68.38492	0.8
69.07053	10.9
69.60480	5.5
69.60910	2.4
71.04967	1.3
74.78117	0.8
79.05485	35.6
80.05804	1.2
81.03388	2.1
81.07044	100.0
82.07384	1.5
83.04957	2.2
83.08615	5.6
85.01100	1.0
85.06533	1.9
91.05465	19.4
91.70268	0.8
93.07029	19.8
95.04956	6.6
95.08601	17.9
97.06502	4.1
97.10136	2.3
99.08083	2.1
103.05450	0.8
105.07022	21.9
107.04938	5.1
107.08576	11.3
109.06504	43.0
109.10132	5.7
111.08041	1.9
117.06986	5.1
117.25089	0.9
119.08562	17.0
120.08088	1.9
121.06497	2.5
121.10139	8.0
123.08037	3.8
123.11703	2.6
125.09596	0.9
129.07025	2.5
131.08546	9.7
133.10107	16.8
135.08044	3.7
135.11661	4.5
137.09618	2.3
143.08577	2.0
145.06511	1.2
145.10107	8.2
147.11667	11.0
149.09613	4.8
149.13248	7.5
151.11163	2.6
153.12762	0.9
156.08383	1.7
157.10103	3.4
159.11682	5.9
160.03908	1.9
161.09505	1.6
161.13243	3.5
162.16910	0.8
163.11172	3.1
163.14778	3.5
165.12708	1.7
171.11693	2.6
173.13228	4.2
173.52481	0.8
175.11143	1.9
177.12715	1.2
183.11693	1.4
187.14801	1.1
193.12254	1.7
197.13400	0.9
201.12712	1.3
202.12666	0.8
229.19490	3.8
239.17975	2.4
246.41077	0.8
247.20558	6.1
257.18948	5.3
275.20020	38.4
276.20328	2.8
293.21155	1.0
331.15784	1.7
349.16586	3.3
349.20013	1.6
349.23618	19.5
350.24295	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2371
Annotation	Kolavic acid 15-methyl ester
Peak:m/z	Relative Intensity
53.03938	6.6
55.01868	3.8
55.05510	17.5
57.03430	14.5
57.07059	3.4
65.03925	3.5
67.05497	62.5
69.07063	13.8
69.99877	2.9
70.00286	6.1
71.04987	3.1
79.05489	55.9
81.03432	2.9
81.07050	100.0
82.07392	2.5
83.04984	4.5
83.08618	9.4
85.06508	2.1
91.05470	51.9
91.06048	2.7
92.05807	1.9
93.07038	37.6
93.07595	3.1
95.04954	9.3
95.08603	31.0
97.06522	4.1
97.10179	2.6
98.20740	2.7
99.26993	1.3
103.05443	1.9
105.07014	50.0
106.60867	1.4
107.04948	5.7
107.08591	23.4
107.09270	2.7
108.02959	1.5
109.06513	32.8
109.10146	17.1
111.08078	2.7
115.05465	2.0
117.06998	13.5
119.08566	39.5
121.06493	5.0
121.10117	14.4
123.08086	4.3
123.11683	5.5
129.07030	5.7
131.08571	20.5
132.09373	1.5
133.10121	33.0
135.08066	4.8
135.11708	7.3
137.09624	3.2
141.06895	2.5
143.08560	4.4
145.06497	1.6
145.10126	19.1
147.07993	2.4
147.11671	21.8
149.09592	10.5
149.13226	7.2
151.11198	4.4
155.08534	2.1
157.10089	5.3
159.11688	13.6
161.13257	5.1
163.11177	4.0
163.14830	2.6
165.12752	2.3
166.99336	1.4
171.11716	4.3
173.09669	1.8
173.13272	8.2
175.11162	3.1
177.12720	2.0
183.11688	2.0
185.13130	1.9
191.14461	1.9
193.12245	1.8
197.13280	3.7
219.13823	2.0
229.19501	5.2
239.18040	2.3
247.20509	8.5
257.18988	10.5
275.20047	58.4
276.20416	3.8
349.23743	29.3
350.23645	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2345
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05489	2.0
57.07047	2.0
67.05489	2.0
69.07049	1.0
70.73760	3.7
79.05483	1.4
81.07043	2.5
91.05450	2.2
93.07015	1.5
95.08593	1.8
97.64308	0.9
105.07049	1.1
107.08585	1.2
108.32415	0.9
109.06500	1.7
109.10161	1.2
110.61708	1.0
117.07003	1.0
119.08534	1.3
121.10225	1.1
123.08043	3.3
133.10104	1.8
145.10124	1.1
179.14282	2.6
230.12495	1.0
314.05011	0.9
349.23477	100.0
349.27045	4.9
350.23798	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	349.2371
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.6
54.35824	1.1
55.01865	5.2
55.05507	15.8
56.96549	3.6
57.03433	16.2
57.07062	3.0
58.61931	1.3
67.05501	30.0
69.03433	1.9
69.07064	19.6
71.04965	1.7
71.37714	1.7
71.38081	2.7
71.95249	1.4
79.05484	25.0
81.07050	42.4
83.04984	7.4
83.08605	7.3
91.04924	2.1
91.05473	27.4
93.07032	32.0
95.04966	9.9
95.08595	21.7
97.06512	4.3
97.10167	3.0
105.07021	30.4
107.04948	9.8
107.08583	19.2
109.06509	10.9
109.10126	9.7
111.08105	2.2
112.88322	1.2
117.07026	12.0
119.08576	21.2
121.06498	11.7
121.10137	11.7
123.08057	7.4
123.11681	4.0
127.19794	1.7
129.06993	2.2
131.08559	18.9
131.27141	1.2
133.06447	3.8
133.10117	21.6
135.08049	6.4
135.11682	7.7
137.09593	3.2
141.06982	1.5
143.08572	4.3
145.06453	2.5
145.10117	14.6
147.08011	5.2
147.11668	14.5
149.09641	6.1
149.13245	4.8
151.11186	6.1
155.08565	1.9
157.10088	4.2
159.08047	2.5
159.11688	10.0
161.09641	4.8
161.13239	3.4
162.06297	1.2
163.11159	9.2
171.11667	2.6
173.09615	5.1
173.13293	7.9
175.11217	3.4
175.14749	1.6
177.12724	3.8
183.11679	3.6
185.13290	2.9
187.11139	2.8
187.14755	2.1
189.12720	1.7
191.14355	3.9
194.89345	1.3
197.13260	2.2
199.14778	1.7
201.12715	3.4
207.13736	3.1
213.08011	1.7
215.14348	2.1
215.17960	2.4
219.13750	4.3
229.07422	3.1
229.19527	3.0
231.09064	1.9
231.17384	1.5
233.15376	1.3
233.18944	2.0
238.69351	1.3
239.17943	5.6
247.08380	1.3
247.20631	5.5
257.19003	17.2
269.10583	1.4
275.20044	100.0
276.20325	6.6
293.21140	6.1
312.91727	1.2
349.16815	4.5
349.23712	33.8
349.27744	1.5
350.24207	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1985
Annotation	(plusmn)-JWH 073 N-(3-hydroxybutyl) metabolite-d5
Peak:m/z	Relative Intensity
55.05501	4.0
57.03416	4.2
67.05490	4.3
70.06585	5.4
71.75093	3.2
79.05488	3.7
81.07071	8.3
83.05004	3.3
84.08123	6.2
85.10239	3.4
91.05493	5.1
93.06995	5.2
95.08604	6.0
95.84756	3.3
105.07028	5.7
107.08611	4.1
119.08598	4.1
133.10233	4.3
141.90123	3.8
151.02652	3.3
275.20084	10.6
349.19867	100.0
349.23810	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	349.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79504	1.1
53.03926	2.6
54.09433	1.1
55.01849	3.6
55.02972	3.9
55.05507	16.3
56.05037	1.2
57.03435	7.8
59.04986	1.3
65.03928	1.2
67.05498	21.9
68.05814	2.6
69.03406	2.8
69.07058	9.5
70.06589	36.1
71.04993	7.6
71.73402	1.7
72.08149	64.6
79.05092	1.4
79.05484	17.6
80.05789	1.4
81.03387	1.7
81.07053	46.0
82.06544	1.5
82.07349	5.0
83.04955	2.6
83.08574	4.8
84.08108	1.9
85.06509	4.7
91.04951	1.4
91.05476	21.2
92.05820	2.4
93.07032	18.2
94.06538	3.0
94.07356	1.0
95.04927	3.9
95.08598	10.4
97.06499	4.6
97.07641	28.2
97.10118	2.0
98.98456	1.1
105.07029	17.6
106.07301	1.5
107.04901	3.2
107.08595	14.1
108.08865	1.4
109.06503	11.8
109.10149	7.3
110.10438	2.6
111.08038	1.5
112.08765	6.2
114.10284	71.7
115.05495	1.4
117.07006	6.3
119.08559	13.7
120.08038	4.2
121.06464	1.8
121.10151	8.5
122.09607	4.3
123.08017	2.5
123.11707	6.8
124.12000	2.4
125.09602	2.5
129.07011	2.3
131.04855	1.7
131.08563	11.4
132.00986	1.2
132.08054	3.2
133.08965	1.4
133.10103	15.0
134.09584	18.9
134.10469	3.7
135.08032	2.2
135.10379	2.7
135.11624	4.6
136.11208	9.3
137.09604	1.5
138.09099	1.5
141.06996	1.1
143.08517	2.8
145.10120	12.6
146.09573	3.3
147.10368	9.0
147.11630	6.8
148.11206	13.2
149.09544	3.9
149.13213	2.3
150.09082	3.2
151.11183	6.0
152.11447	4.3
155.00986	1.8
155.08469	1.5
157.10095	3.9
158.09555	1.3
159.07971	1.5
159.09138	1.4
159.11694	6.4
160.11208	14.7
161.09557	1.5
161.11914	1.9
161.13182	2.3
162.12715	2.1
163.03767	1.6
163.11165	3.8
169.10107	2.7
169.12209	3.0
170.12581	2.6
171.11731	2.1
173.10742	2.7
173.13213	4.5
174.12779	17.7
175.08659	1.8
175.13467	5.1
176.14334	7.6
177.12698	1.9
179.14218	1.3
183.11618	1.8
184.11224	1.6
187.11162	1.7
187.13280	12.5
188.13510	13.7
189.15176	7.5
190.12132	1.5
190.15872	12.4
191.14055	1.3
191.15442	11.7
192.13811	12.6
194.15346	2.2
197.13168	2.3
201.14798	2.0
202.15141	4.6
204.13817	15.3
211.14690	1.5
215.15355	3.8
217.13246	2.8
218.19083	1.2
228.17442	3.5
229.13243	4.9
232.17912	1.3
239.17877	1.7
244.22643	1.3
246.18513	36.5
249.20709	1.2
253.18309	1.2
257.18954	8.3
263.21094	3.9
270.19412	1.7
271.18033	8.6
275.20065	15.0
288.20694	38.8
305.23340	100.0
306.23477	3.2
317.15958	1.8
349.06781	2.4
349.22311	43.4
350.28772	2.4
366.39716	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1771
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96559	48.0
70.43477	26.4
70.43896	15.6
72.08127	10.3
81.07051	22.7
91.05471	14.4
93.07040	19.4
97.96801	13.6
105.07047	10.0
107.08621	13.8
110.97539	12.4
114.10261	9.4
119.08592	9.6
122.82909	8.8
128.98592	20.3
131.08575	11.2
133.03313	8.5
162.45073	8.6
189.84937	9.6
217.07460	10.8
231.09160	12.1
238.36526	10.3
239.09709	14.8
241.11090	47.0
257.19183	10.2
259.12201	57.4
275.19916	12.8
280.10028	9.8
289.65793	10.1
331.15768	9.9
349.16882	71.4
349.23633	15.3
367.17911	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1422
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.4
54.07090	1.1
55.01855	2.4
55.05495	4.1
56.05030	6.3
57.03428	11.3
58.99577	13.7
67.05506	1.8
69.07043	3.0
70.06595	7.6
71.26803	2.5
72.08144	5.0
76.02214	13.5
79.05489	10.8
81.07050	100.0
84.04496	87.9
84.08118	2.9
85.01113	4.4
85.02905	2.8
86.00642	8.8
86.09698	3.1
86.99050	14.7
87.02686	53.1
98.09696	1.8
99.08080	10.5
102.05500	2.6
105.00076	15.6
107.43802	1.2
113.04251	3.6
114.10313	2.4
120.04476	3.8
122.02715	67.8
124.07558	3.6
130.05000	15.8
130.06592	1.3
132.01147	18.1
138.05464	2.4
142.03220	4.7
156.08461	3.3
159.04762	15.7
162.05533	1.5
174.05565	2.1
174.09470	4.5
176.07368	1.5
188.03787	3.8
190.14354	4.1
192.06602	3.2
202.08954	90.7
203.07350	34.2
203.09077	1.6
210.11273	3.0
220.09999	17.2
234.02081	1.3
234.04301	4.0
242.11531	1.4
251.07007	2.9
264.22003	1.5
268.09671	1.8
285.12259	2.0
286.11069	5.9
303.13376	2.0
313.11725	3.1
331.12933	15.7
332.11526	4.7
349.06982	2.2
349.14246	15.1
349.23428	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.2741
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03971	2.6
55.01862	7.3
55.05505	26.2
57.03426	7.5
57.07044	3.0
59.04995	4.1
60.04558	2.9
65.03936	3.2
67.05502	74.2
69.03417	4.3
69.07057	13.9
71.04977	4.1
71.08613	4.2
79.05482	23.1
81.03435	3.8
81.07051	46.9
83.04978	6.3
83.08608	16.3
84.08157	2.8
85.02872	2.9
85.06531	4.2
91.05490	21.1
93.07046	23.2
95.04948	4.0
95.08585	23.1
97.06557	6.5
97.10160	16.7
99.08059	3.4
105.07047	16.9
107.08588	20.1
108.35867	2.7
109.10147	57.2
111.08054	4.0
117.07026	6.2
119.08549	16.9
121.06408	3.5
121.10128	8.3
123.11706	3.0
125.09607	6.1
129.07018	4.6
131.08569	10.8
133.10141	12.5
135.11703	7.8
136.06172	5.0
137.09573	5.5
137.56712	3.4
143.08546	3.7
145.10129	8.7
147.11687	6.4
149.09633	2.8
149.13220	7.8
151.11159	6.2
155.10645	14.0
157.10150	3.8
159.08020	3.3
159.11694	10.0
161.13251	5.3
165.12708	3.6
169.10075	3.7
173.11739	100.0
173.13206	6.5
177.12820	3.2
183.11691	10.2
189.11246	12.8
189.25221	3.3
193.12225	3.8
195.13831	10.1
213.14870	6.2
229.12230	8.9
257.18970	8.4
275.20044	10.1
277.19196	3.0
277.21671	22.6
285.10413	3.3
295.22726	14.0
337.03998	3.4
348.25412	3.1
349.19955	4.2
349.23685	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	348.2741
Annotation	Broussonetine M1
Peak:m/z	Relative Intensity
54.58845	0.5
55.01863	0.7
55.05499	2.7
56.05029	3.9
57.03441	1.0
57.07064	0.5
60.04517	100.0
60.40166	0.5
61.04869	0.9
62.51426	0.5
67.05495	10.6
67.05841	0.8
68.05040	0.9
69.03419	0.6
69.07047	3.1
70.06594	1.5
70.81036	0.8
70.81373	1.2
71.04985	0.5
72.04523	2.6
73.02897	0.6
74.06077	1.8
79.05489	7.7
80.05005	1.6
81.07049	11.3
82.06570	1.8
83.04971	1.4
83.08620	0.8
84.04514	0.8
85.06541	1.1
86.06064	0.9
90.05550	1.7
91.05461	5.5
93.07033	7.2
94.06565	1.7
95.04978	1.2
95.08591	10.1
96.08143	1.3
97.06525	1.5
98.09697	0.7
99.08096	0.9
105.07024	3.4
107.08583	5.1
109.10131	4.0
112.07624	0.9
116.07094	1.0
117.07027	1.6
119.08590	2.8
120.08076	0.8
121.06501	1.1
121.10140	4.0
122.09666	0.6
123.11720	1.3
129.06990	1.2
131.08540	2.9
133.10144	2.2
135.11662	3.3
143.08543	0.9
145.10123	2.0
147.11696	2.3
149.11957	0.5
149.13243	1.0
151.11186	1.1
157.10179	1.2
159.11705	0.9
161.13284	1.3
171.11696	0.6
173.13220	0.9
199.61388	0.5
203.22404	0.5
206.72241	0.6
217.19495	0.8
241.19421	0.9
246.22203	0.8
255.98384	0.6
258.22122	0.8
264.23303	0.8
276.23108	4.3
294.24243	6.7
312.25299	10.9
330.26343	28.9
331.26566	0.9
348.27411	55.8
349.27692	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1277
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	5.0
58.06588	3.8
60.04518	7.9
60.69742	3.9
65.03960	4.8
67.05496	20.7
69.03429	21.3
70.06580	7.7
71.43629	3.9
71.75291	6.7
79.05492	9.4
81.07024	8.8
81.61768	3.7
83.04964	4.6
84.08117	14.5
85.02874	4.4
86.09691	9.0
91.05457	14.5
93.07023	8.5
95.04953	32.6
95.08570	4.2
97.34981	4.1
105.07034	23.5
107.04919	6.1
107.08501	4.6
115.05433	4.6
117.06969	7.4
119.04941	5.3
119.08562	16.6
121.06506	15.7
123.04378	6.1
123.08061	9.4
128.06212	12.8
129.06987	13.6
131.08513	10.2
133.06470	9.2
133.10072	6.3
135.08032	23.6
137.05934	6.6
141.06999	8.9
142.07744	8.1
143.08514	17.6
145.06483	6.8
145.10080	11.1
147.08028	7.8
147.11638	5.6
155.08470	6.5
156.09348	27.8
157.10088	11.3
158.07259	12.7
159.08003	33.3
159.11670	12.4
161.05971	12.8
161.09615	22.0
163.03868	6.7
165.01817	5.8
165.06973	9.0
166.07785	9.9
169.06416	9.6
171.08023	11.7
171.11653	19.4
172.08859	21.0
173.09612	18.9
174.06743	23.5
174.10365	6.0
175.07491	17.3
175.11131	20.3
177.05544	4.2
181.10059	9.2
183.07941	6.3
184.08823	26.8
185.09625	7.7
187.07553	12.2
187.11150	14.7
188.08253	7.5
189.05522	5.8
189.09122	54.0
189.12711	30.9
199.11134	76.6
200.08257	4.2
202.10020	5.3
209.09526	15.1
212.08333	39.1
215.10686	41.9
217.12187	70.9
227.10623	100.0
245.11720	71.4
263.12714	11.8
302.09100	4.9
306.12390	4.6
323.59149	4.0
340.94308	4.4
349.14200	10.9
349.19604	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	348.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05487	0.8
56.05017	0.9
60.04504	0.8
67.05506	1.8
69.07062	0.8
69.56660	0.5
69.57076	2.1
70.06572	0.5
71.04967	0.6
72.08141	0.7
79.05479	1.0
80.57734	0.3
81.07039	2.2
83.04941	0.3
83.08624	0.3
86.09680	0.3
90.03761	0.6
91.05463	0.5
93.07027	1.4
94.04031	0.9
95.08595	0.7
97.06518	0.5
98.09662	0.4
100.11246	0.6
105.07040	0.6
107.08560	1.0
107.90004	0.3
109.10223	0.3
117.07057	0.3
118.21066	0.2
119.03539	1.9
119.08540	0.4
121.06531	0.3
121.10133	0.5
125.09771	0.3
131.08551	0.6
133.10133	0.5
133.19522	0.3
135.11717	0.4
136.06172	100.0
137.04594	1.9
137.06595	1.6
141.11513	0.3
149.13283	0.4
159.11716	0.4
173.13258	0.4
183.11606	0.4
191.92656	0.3
229.12286	0.7
237.75218	0.3
286.16666	0.7
330.15506	0.5
330.19235	8.1
330.25812	0.3
348.20279	43.9
349.20602	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.2167
Annotation	Consabatine
Peak:m/z	Relative Intensity
53.03938	0.7
55.01842	1.0
55.05508	3.7
57.07074	0.4
65.03917	0.9
67.05498	6.8
67.23756	0.4
68.05027	3.9
69.07054	3.0
70.06225	0.5
70.06586	9.3
70.58895	0.5
71.04972	0.9
71.74770	0.8
72.08133	0.9
79.05484	8.2
80.05000	1.0
80.69126	0.5
81.03385	0.6
81.07047	5.9
82.06576	0.8
83.04958	0.8
83.08606	2.0
84.08134	1.1
84.09006	0.6
85.06494	0.6
86.09625	0.5
91.05473	13.4
93.05759	1.1
93.06510	0.6
93.07044	8.6
94.06528	0.6
95.04948	1.9
95.08617	3.8
96.08126	2.0
96.08852	0.4
97.10139	0.6
100.07607	8.7
103.05444	0.8
105.07019	18.9
105.07725	1.0
106.06528	1.1
107.04961	1.0
107.07320	0.9
107.08579	3.9
108.08119	2.1
109.06490	1.0
109.10146	1.7
114.05528	4.8
115.05423	0.6
117.06970	3.4
118.06542	2.2
119.07269	0.7
119.08564	4.5
120.08066	2.5
121.06509	1.1
121.10138	1.0
122.09631	0.6
123.08063	0.7
123.79505	0.5
128.06172	0.8
128.07053	6.3
129.06985	0.9
131.08566	4.0
132.08076	1.9
133.06451	1.0
133.08955	0.7
133.10098	1.7
134.07088	0.5
134.09668	2.3
135.07991	0.6
135.11678	0.8
136.06184	1.8
136.07431	0.5
137.04675	2.6
140.07086	1.1
143.08539	1.3
145.08975	0.4
145.10118	1.9
146.09592	1.7
147.11713	1.0
148.11295	0.6
149.09683	0.5
154.08611	5.3
155.08583	0.8
157.10155	1.2
158.09564	0.6
160.11166	4.1
161.09625	0.6
164.07047	17.5
168.09360	0.5
171.11641	0.7
172.11111	1.1
174.12773	5.6
176.07062	1.9
178.08643	1.7
179.09401	0.7
180.10153	0.5
183.11687	1.0
185.13130	0.5
188.14313	0.5
190.08646	1.4
201.12778	0.5
204.10149	3.4
205.10890	1.4
206.11711	1.1
218.11766	2.2
219.12619	0.8
220.13300	1.1
229.12254	1.7
234.14903	0.5
254.91148	0.4
275.19962	0.8
284.20255	0.6
286.21588	0.8
298.19064	0.7
302.21112	4.9
330.20636	18.0
333.44470	0.5
348.21667	100.0
349.22095	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	348.1839
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	1.0
54.51478	0.7
55.01873	0.9
55.05509	8.7
57.03424	3.5
57.07050	1.3
59.04972	0.8
65.03934	1.2
67.05500	42.5
68.05843	0.7
69.03426	2.1
69.07059	6.8
70.06104	2.8
70.06577	6.9
71.04989	33.0
71.05383	1.8
71.08624	0.8
72.06773	0.7
72.08147	7.6
76.02205	0.7
79.05486	11.5
81.07053	70.6
82.07376	1.4
83.04973	3.8
83.08604	4.6
84.04502	2.4
84.08139	1.4
85.01118	0.8
85.02896	1.1
85.06538	17.2
86.00648	1.8
87.56928	0.7
88.83365	0.8
91.05476	27.5
93.07039	10.0
94.06570	1.0
95.04954	1.4
95.08620	4.4
96.08142	1.1
97.06503	2.4
97.07629	2.8
97.10135	1.3
99.08099	1.3
102.03741	0.9
105.07023	16.1
107.08585	14.5
109.02794	0.8
109.06506	3.6
109.10149	22.4
112.11232	0.9
113.06040	0.8
114.10293	6.8
117.07019	1.2
118.06546	2.7
119.08577	1.9
120.08104	1.7
121.10104	1.7
122.09637	1.1
123.08053	1.7
123.11699	17.4
125.09624	1.2
127.07556	1.0
129.06966	1.3
130.05017	1.8
131.01627	1.2
131.08553	2.6
132.01108	3.1
132.08067	1.2
133.10123	40.7
134.09621	2.3
134.10512	1.3
136.06161	2.7
143.08591	1.4
145.06377	1.0
145.10120	1.9
147.10454	1.2
147.11688	0.8
148.04274	7.0
148.11203	1.1
151.11171	27.1
156.69685	0.8
157.10083	0.9
160.11255	1.2
162.12787	0.7
169.12225	15.5
169.13594	1.3
174.12788	1.6
177.12827	1.0
179.98163	0.8
183.11652	2.7
183.13794	10.8
187.13284	100.0
188.13669	3.1
190.15895	1.5
191.03526	0.9
191.15332	1.8
192.13840	1.8
199.00558	0.7
201.12941	1.4
201.14841	26.6
202.15367	1.1
202.67892	0.8
204.13901	1.7
229.12312	2.3
230.15340	4.3
246.18546	4.7
257.18771	0.9
275.20099	1.5
288.20630	4.2
305.23337	11.1
316.15796	10.1
330.20746	4.5
348.18243	8.4
348.21786	7.6
349.06995	1.3
349.22372	6.5
350.87146	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.1287
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	0.7
55.01852	0.8
57.03423	1.7
60.04520	0.9
61.02893	0.9
61.96886	0.6
67.05484	1.4
69.03419	4.1
69.07059	41.2
69.90873	2.7
70.06588	3.6
73.02885	0.7
73.73101	0.6
81.03408	2.2
84.04495	0.8
84.08133	0.8
85.02897	15.3
86.09688	1.8
95.04971	3.3
97.02884	6.5
97.06522	6.2
99.04396	0.7
103.03938	1.4
109.02880	3.2
110.31265	0.7
112.07600	6.3
123.04404	1.7
126.05473	0.9
127.03932	2.9
136.06223	1.1
140.07045	39.1
145.04886	0.9
154.08594	1.3
154.18628	0.6
164.06981	0.6
168.06548	100.0
169.06889	2.1
182.08102	10.8
186.07602	14.6
206.08012	1.0
210.07596	21.3
228.08609	2.4
234.07599	2.4
238.06894	0.7
264.08621	1.5
276.08643	2.6
294.09729	0.9
300.16403	0.7
349.09222	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	0.9
56.05009	1.1
60.04518	1.0
60.05621	3.7
68.41929	0.7
70.06583	55.4
71.04977	4.3
71.06917	1.1
71.44299	1.7
72.08144	5.6
75.48067	0.8
84.04482	2.8
84.08146	4.7
86.09694	3.2
88.03947	1.2
91.05469	1.1
94.92267	0.8
95.06077	9.7
97.02866	2.2
97.07651	1.9
97.52153	0.9
98.21394	0.9
110.07127	1.4
112.03934	0.9
112.08715	14.6
113.07098	3.6
114.10275	1.9
115.08667	11.1
116.07076	6.9
120.08068	2.3
126.20435	0.8
128.04926	1.3
129.10214	1.8
129.11217	0.8
130.06526	1.7
130.09737	2.8
132.04483	0.8
136.06160	19.4
145.07590	3.2
146.05988	100.0
147.06339	2.1
157.10887	0.8
158.09224	16.2
173.07071	2.1
174.05478	14.1
175.11914	5.0
183.11620	1.0
191.08128	11.7
242.12949	1.4
270.12268	1.3
288.13361	2.4
304.96744	0.8
308.55469	0.8
313.12949	1.9
314.11365	1.9
330.15579	2.5
331.04984	0.9
331.09866	1.5
331.13959	9.4
348.16614	91.1
349.16571	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	348.176
Annotation	Asp Thr Leu
Peak:m/z	Relative Intensity
53.03926	1.9
55.05504	3.4
56.05024	9.5
57.03429	3.4
58.06584	4.5
60.04518	6.8
66.35954	1.5
69.07045	3.9
70.02947	3.7
70.06248	1.6
70.06587	8.0
70.92346	2.1
70.92657	3.3
72.08135	15.7
74.06069	49.1
82.06561	6.5
83.06121	2.1
84.04491	40.6
84.08139	4.7
85.02882	4.5
86.06077	2.7
86.09693	57.5
86.10201	3.4
87.05564	3.1
88.03983	23.7
91.05483	2.6
95.08627	2.0
97.02879	2.3
98.02415	3.4
100.07591	11.7
101.07119	4.1
102.05541	4.6
110.06089	2.3
111.05562	5.2
112.03983	5.2
112.11211	1.8
114.09109	4.5
116.07059	2.4
116.98552	2.0
118.06543	4.9
125.07084	2.5
126.05496	42.9
127.03881	2.4
129.05264	2.0
129.06575	12.7
130.05000	2.7
130.06523	4.4
132.10176	20.0
136.03960	2.9
136.05106	2.1
136.06165	8.3
141.13898	3.9
144.06537	100.0
144.08018	5.1
147.04424	2.7
153.06615	3.9
154.04930	4.5
155.07260	2.0
156.08115	3.8
159.11293	18.5
162.07599	14.7
169.13385	4.3
170.09311	4.5
171.07645	13.8
172.06184	2.6
172.07632	5.1
184.07613	3.0
186.05495	1.9
187.10785	3.1
187.14415	3.6
189.08675	83.2
190.08795	2.6
197.12823	3.9
198.09027	2.7
199.07149	7.9
215.13895	3.1
217.08162	54.9
233.14981	8.4
243.13358	3.6
284.16019	9.7
312.15866	2.3
330.16724	9.9
348.17285	1.8
349.09351	3.8
349.13480	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	348.1076
Annotation	Unknow
Peak:m/z	Relative Intensity
53.98923	0.9
55.01870	4.4
55.05507	1.2
57.03419	2.3
58.99573	1.2
61.02909	1.0
61.58400	0.9
68.99764	0.9
69.03416	1.0
70.06598	1.3
70.85131	2.4
73.02928	1.1
81.07051	8.3
84.04491	4.8
85.02892	3.8
87.02679	3.1
91.05467	2.0
93.03427	0.9
95.01317	9.8
97.02892	1.5
105.00089	1.2
108.20223	1.0
113.02347	4.3
115.05438	3.0
117.05762	8.8
117.06986	5.7
118.06532	58.4
122.02724	3.7
129.06992	12.5
130.06514	57.9
131.06859	1.0
132.08058	7.7
136.06158	1.9
141.01889	1.1
142.06523	2.3
143.07294	10.2
144.08075	100.0
145.06485	2.1
145.08421	2.6
146.05948	1.2
154.06505	32.0
155.06084	1.3
155.07271	26.9
156.04454	1.3
156.08084	29.1
157.08606	1.3
158.05992	24.9
159.04749	1.5
159.06381	1.2
160.07562	15.3
166.06523	2.0
167.07303	2.6
168.04417	1.3
168.08076	7.6
170.05988	4.1
172.07562	74.9
173.08118	4.6
180.08116	3.4
182.05974	4.5
183.06784	2.2
184.07555	21.9
186.05487	17.0
190.08615	17.7
194.05998	4.7
194.09554	1.0
196.07587	4.4
198.05452	3.0
198.09106	1.2
202.08929	5.6
203.07324	2.5
208.07567	1.4
210.05447	1.3
212.07031	4.1
214.08615	2.4
220.07573	1.5
220.09973	1.6
222.05423	1.0
222.08929	1.1
224.07054	5.2
226.04967	3.8
226.08646	2.2
236.07062	3.0
237.50090	1.1
240.06520	2.1
242.08017	1.5
252.06525	4.9
258.07791	1.3
270.07596	2.7
282.07529	1.7
286.07199	4.3
288.08548	2.7
294.07516	1.3
300.08685	1.8
304.08069	3.8
312.08633	3.0
330.09726	12.3
348.10651	3.2
349.13879	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.1286
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78561	0.3
53.03930	0.5
55.01864	0.3
55.05486	0.4
56.05016	1.0
56.96552	0.6
57.03410	0.6
60.04516	1.8
63.48941	0.3
69.03411	2.8
69.07055	0.6
69.54114	1.5
69.54543	1.3
70.02950	0.4
70.06580	2.3
72.08140	2.9
72.68766	0.3
73.02882	0.4
73.08466	0.3
74.00655	0.4
74.06071	0.7
76.02216	0.5
76.03979	0.4
79.05476	0.3
81.03413	0.8
82.04169	0.5
83.01337	0.4
83.06075	0.8
84.04496	5.9
84.06433	0.5
84.08132	2.4
85.02894	9.5
85.04005	0.4
85.04807	0.4
85.08469	0.5
86.09692	7.1
94.04053	0.3
94.06564	0.4
95.04942	0.9
97.02882	5.5
98.98446	1.4
99.04460	0.4
101.07153	0.3
102.05517	1.3
106.05009	0.9
107.04954	0.4
107.58943	0.3
109.02806	0.7
110.07144	0.8
112.03791	0.3
112.08749	0.4
116.98574	0.4
118.83530	0.4
119.03532	1.1
122.05924	0.4
123.04412	23.7
127.03889	0.9
129.10211	0.9
130.04987	3.0
130.08563	0.3
136.06166	100.0
136.99835	0.3
137.04553	1.3
137.06610	1.9
140.07059	0.3
144.06525	0.3
145.04930	0.8
146.05975	0.5
147.07607	0.7
147.11334	0.3
148.06027	0.6
148.07942	0.5
151.03877	5.4
157.38582	0.4
162.02144	0.6
164.99483	2.1
166.73970	0.3
169.04950	11.0
173.12799	0.9
174.13168	0.6
177.03192	0.5
180.08727	0.6
186.07607	0.3
187.14404	0.8
197.12755	1.0
201.12411	0.4
215.13873	0.9
225.12132	0.5
235.09216	0.7
297.22253	0.4
330.05835	0.4
348.06931	6.1
348.13013	0.6
348.16739	0.6
349.07233	0.4
354.28595	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.1076
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56392	1.1
55.01870	2.9
55.05510	1.6
56.05026	1.3
57.03435	2.9
60.04504	1.8
67.05502	1.2
69.03426	1.6
70.06583	5.2
71.72124	2.1
71.73490	1.4
72.08144	3.6
73.02913	1.4
74.06076	1.2
74.88848	1.2
75.50060	1.1
76.02222	2.1
79.05486	3.1
81.03423	1.3
81.07047	13.0
84.04504	12.3
84.08128	2.9
85.02905	4.5
86.09682	3.3
86.99036	1.3
87.02692	6.6
91.05481	4.8
95.01328	10.3
95.04933	1.3
97.02882	3.6
99.08067	1.5
103.05479	1.4
103.41348	1.3
105.00154	1.2
105.07043	1.2
113.02357	3.1
115.05508	1.3
116.07018	1.3
117.05748	8.8
117.06999	7.2
118.06533	57.6
119.06843	1.1
122.02711	6.2
127.03939	1.2
128.06244	2.6
129.07005	12.0
129.10242	2.2
130.05016	1.9
130.06519	56.9
131.04878	2.4
132.01103	1.3
132.08090	5.7
136.06174	13.0
142.06512	2.8
143.07309	7.8
144.04369	2.0
144.08075	100.0
145.06490	2.6
145.08444	2.2
146.05974	1.8
147.04373	1.9
153.01782	1.5
154.06508	31.7
155.06038	2.3
155.07283	25.1
156.08076	33.2
157.08716	3.3
158.06004	20.4
159.04727	1.6
159.11548	1.5
160.07568	11.7
167.07285	2.6
168.08073	8.1
170.05992	5.1
172.07561	63.0
173.08197	4.0
180.08049	2.4
182.05980	3.9
183.06770	2.8
184.07568	24.7
185.07997	1.7
186.05479	14.2
187.14555	1.5
190.08611	12.9
194.06044	5.4
194.09752	1.8
196.07578	7.0
198.05493	2.6
198.09236	2.1
202.05057	1.4
202.08926	13.8
203.07394	3.7
208.07625	1.6
210.05452	2.2
210.09126	1.6
211.05997	1.4
212.06958	5.9
214.08664	2.0
220.07599	1.9
220.09846	1.6
222.05521	1.5
222.09099	2.9
224.07059	4.5
226.05110	2.6
226.08577	3.8
228.06616	2.4
229.07286	1.4
229.12106	1.4
236.07059	2.1
238.08536	1.3
240.06573	1.7
251.05789	1.7
252.06618	3.7
258.07523	1.4
268.09790	1.4
270.07513	2.5
284.09216	1.8
286.07059	3.4
286.10416	1.3
288.08612	3.4
300.08600	2.5
302.10266	1.8
304.08179	5.0
312.08487	2.9
313.11761	1.6
330.09625	10.5
331.13052	2.3
348.10818	3.5
349.09018	20.8
349.13724	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	348.0703
Annotation	Adenosine monophosphate
Peak:m/z	Relative Intensity
55.02983	0.1
55.93527	0.1
56.05032	0.2
56.96561	0.1
59.55639	0.1
60.04521	0.1
69.03423	0.8
70.06576	0.2
71.49429	0.1
71.92997	0.1
72.08142	0.3
72.93787	0.3
79.09155	0.1
84.04504	0.2
84.08127	0.4
85.02893	0.3
86.09676	0.2
89.94059	0.1
90.94802	0.1
94.04064	0.1
94.45271	0.1
97.02885	8.1
98.98463	0.5
102.33276	0.1
108.95943	0.1
111.96136	0.1
112.25648	0.1
119.03545	0.8
129.10265	0.2
132.39949	0.1
136.06174	100.0
137.04610	1.0
137.06619	1.0
145.03458	0.1
161.96091	0.2
163.97643	0.1
173.01265	0.2
173.12737	0.1
190.95198	0.1
216.09854	0.1
228.48561	0.1
238.64653	0.1
252.97043	0.1
348.07022	4.0
349.07254	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.1075
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	3.7
55.05490	4.2
56.05025	1.9
56.96540	1.6
57.03438	2.3
61.02913	1.5
67.05496	3.1
68.05843	1.5
69.03413	3.4
69.07053	2.0
70.06586	16.1
71.74075	2.3
72.08148	6.9
73.02905	2.2
74.06076	1.6
78.62315	1.4
79.05478	3.2
80.47465	1.4
81.03399	6.5
81.07034	7.9
83.04970	2.6
83.08604	2.0
84.04496	6.1
84.08135	6.1
85.02894	6.4
86.09693	6.1
86.99047	1.6
91.05467	4.5
91.07861	1.5
93.07027	5.8
95.01315	6.4
95.04963	5.9
95.08588	2.5
95.77161	1.5
97.02883	6.4
97.06531	1.7
98.06011	1.5
98.09650	1.5
99.04449	1.7
105.03397	3.2
105.07001	3.0
107.08584	4.7
107.59769	1.4
108.08103	1.5
109.02859	3.6
109.06521	2.4
110.06007	4.0
110.07157	3.1
110.40436	1.3
113.02301	1.5
114.05509	3.1
115.05406	3.2
116.07121	1.9
117.05759	4.2
117.07001	4.0
118.02763	1.6
118.06541	35.6
119.04931	3.5
120.08102	4.4
121.10082	2.7
122.02722	3.6
123.11757	1.8
125.02338	3.5
125.09653	2.1
127.03909	2.0
129.06999	29.3
129.10181	1.8
130.05028	2.1
130.06520	48.6
131.06836	2.1
132.08073	2.8
133.06551	2.1
134.05975	1.7
136.06189	9.3
138.09064	1.7
138.10004	2.5
143.07263	6.6
144.04472	3.7
144.08080	39.8
145.06465	1.5
145.08398	2.8
146.06018	3.6
147.04349	2.0
149.09627	2.2
150.09105	1.5
151.07500	8.2
153.01826	4.9
154.06505	17.9
155.07303	10.9
156.08081	100.0
157.05238	2.8
157.08876	12.1
158.06027	11.1
158.09537	1.8
160.07590	8.1
167.07251	4.4
167.10579	1.5
168.08054	13.6
169.08633	2.9
170.05975	7.9
170.09592	1.8
172.07576	32.5
173.13028	2.0
174.05557	2.4
178.08635	2.1
180.08057	7.7
181.05266	2.1
182.06046	6.3
183.06761	8.7
183.11702	3.1
184.07600	19.9
186.05524	5.9
186.11189	1.8
190.08612	5.7
194.06033	4.7
194.09575	3.6
196.04199	1.6
196.05974	1.5
196.07520	8.8
197.08165	1.6
198.05472	3.3
198.09122	6.6
201.12421	1.7
202.04982	2.0
202.08844	5.1
203.07370	1.8
207.06886	1.5
208.07571	6.6
208.09650	4.3
210.09157	1.9
211.06334	2.0
212.07085	3.8
214.05055	2.2
214.08720	2.7
220.07529	2.2
222.05592	3.4
222.09200	3.5
224.07033	9.0
226.08611	19.0
228.06448	2.9
230.08151	1.7
233.15369	6.2
234.98975	4.1
236.06975	1.9
240.06538	4.5
240.10318	1.8
242.08150	3.5
247.15791	2.4
248.16432	2.3
250.08549	2.8
252.06459	4.5
254.08179	2.2
258.00266	1.6
266.08099	2.5
268.09723	2.7
270.07697	5.4
282.07806	1.9
284.09149	4.3
286.07288	1.9
286.10455	3.0
288.08594	11.5
290.17450	4.0
302.10086	2.6
303.05136	3.0
304.08118	2.1
312.08713	2.2
330.09766	6.1
330.20615	3.4
338.66504	1.6
348.10651	2.0
348.17584	3.0
348.21664	29.8
349.08954	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	348.0703
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	0.2
55.05502	0.2
56.05021	0.5
56.96539	0.3
57.03417	0.5
58.99564	0.3
59.51746	0.2
60.04510	0.7
62.82329	0.2
69.03424	1.6
69.07048	0.4
70.06573	0.8
71.00040	0.5
72.08133	0.6
74.00650	0.3
74.06061	0.4
76.02213	0.8
76.03983	0.4
81.03387	0.5
83.06076	0.3
84.03990	0.3
84.04499	5.8
84.08145	1.5
85.02900	6.1
85.04034	0.3
86.09695	2.6
88.03957	0.2
90.29716	0.2
94.04055	0.4
95.04930	0.4
96.04472	0.2
97.02312	0.3
97.02878	2.8
98.98463	2.5
102.05524	0.5
106.05047	0.9
110.07153	0.3
110.09284	0.2
115.03920	0.4
116.01694	0.4
119.03539	1.1
123.04423	5.0
129.06595	0.5
129.10196	0.4
130.04993	2.8
130.08569	0.2
131.69739	0.2
136.06172	100.0
136.99945	0.5
137.04610	0.9
137.06497	0.9
142.03212	0.5
144.01184	0.2
145.04922	0.4
147.11320	0.4
148.06061	0.2
148.11569	0.2
151.03902	1.7
162.02187	0.6
164.99477	2.1
169.04941	3.0
173.12836	0.6
177.03242	1.0
179.04823	0.3
180.08751	0.2
197.12912	0.5
201.12473	0.2
209.66241	0.2
213.01663	0.5
215.13928	0.8
235.09242	0.5
242.04822	0.4
259.07431	0.5
317.06036	0.3
330.06027	0.7
348.07016	7.5
348.12985	0.3
349.07211	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.2214
Annotation	(-)-Calycanthine
Peak:m/z	Relative Intensity
53.77002	0.7
66.52540	0.6
67.05471	0.8
69.03400	0.8
69.07068	1.2
69.41875	0.7
69.69575	6.4
71.54662	0.7
79.05479	1.4
81.07042	1.4
83.01335	4.8
91.05470	2.6
93.07029	1.7
107.08576	1.3
114.24194	0.6
119.08545	0.7
121.06489	3.5
121.10072	1.7
127.03931	0.7
131.08582	3.7
135.08054	5.1
147.88368	0.7
149.05965	1.3
149.09613	6.0
153.05463	3.1
159.08034	5.6
162.06761	8.0
163.07529	10.0
177.09099	15.9
187.07507	4.3
190.06300	1.1
205.08582	67.5
206.08859	2.4
219.72379	0.7
223.09630	100.0
224.09996	2.0
229.12183	0.8
237.11208	1.5
291.88730	0.8
329.21146	1.3
347.21985	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.2216
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.6
55.01860	4.6
55.05507	16.3
56.96535	1.4
57.03207	1.0
57.03439	12.0
65.03906	2.1
67.05192	1.5
67.05504	20.4
69.03432	2.2
69.07061	12.1
70.06572	3.1
70.98052	2.7
72.08143	5.0
79.05489	17.2
81.03416	2.4
81.07048	19.1
83.04985	1.6
83.08610	11.9
83.49473	1.2
84.08121	1.8
85.02904	2.7
85.06548	1.9
86.09683	1.1
91.04926	1.8
91.05473	27.9
93.07034	20.5
95.04974	4.3
95.08601	17.2
97.06543	2.9
97.10143	2.3
99.08080	1.8
103.05463	2.0
105.07023	25.6
107.04922	2.4
107.08589	14.9
109.06490	4.5
109.10126	4.4
110.02381	1.1
111.08094	1.4
113.83556	1.1
115.05439	3.3
116.06197	2.3
117.07016	23.9
118.10718	1.0
119.08568	22.3
121.06477	3.0
121.10143	7.7
123.08054	4.5
123.11670	1.3
125.09653	2.1
128.06209	7.2
129.06993	21.0
130.07762	5.1
131.08557	19.7
132.08878	1.6
133.06459	2.3
133.10135	13.9
135.08041	4.3
135.11671	5.4
137.09622	3.2
141.06949	2.9
142.07762	7.2
143.08560	12.6
144.09354	1.5
145.06387	1.5
145.10114	32.0
147.08037	8.9
147.11658	3.5
149.09573	3.7
151.07457	1.9
153.06976	1.4
155.08559	6.8
157.10115	100.0
158.10527	4.2
159.08041	2.2
159.11673	15.8
161.09624	8.7
161.13193	1.4
163.11151	5.9
165.07059	1.8
165.09085	1.8
165.12776	1.4
167.08578	1.7
169.10083	5.1
171.11685	11.3
173.09610	3.5
173.13255	3.4
175.11203	4.1
176.14218	1.4
179.08459	1.4
181.10062	5.5
183.11710	4.6
185.13278	3.1
187.11212	1.3
187.14755	1.2
189.12767	1.4
193.10274	1.5
195.11693	3.8
199.11108	1.6
199.14821	2.0
206.12860	1.1
209.13240	3.0
211.14807	3.1
213.16493	1.9
219.11557	1.2
227.17880	4.3
229.12201	3.0
237.16356	12.3
245.18951	4.2
255.17450	15.7
273.18478	27.2
274.18774	2.0
329.21063	3.0
347.12820	1.8
347.22153	34.4
348.22226	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1233
Annotation	Miraxanthin-V
Peak:m/z	Relative Intensity
55.01852	2.1
55.05484	1.2
56.05017	0.5
59.09855	0.6
60.04517	3.6
61.04830	0.6
65.03943	3.4
67.05500	6.4
68.04993	0.9
69.03398	0.7
69.07060	0.6
69.79462	2.6
70.06564	1.8
71.04978	0.7
72.08135	1.8
79.05491	1.0
80.04994	0.5
81.03417	0.5
81.07050	0.7
83.04944	0.6
84.04507	1.0
84.08142	2.8
85.02872	0.5
85.06516	0.7
86.09681	1.8
91.05477	1.0
92.05000	15.4
93.07008	0.7
94.06547	1.1
95.04942	1.7
95.08577	0.8
96.04490	2.5
97.06534	0.7
101.19687	0.6
105.07043	0.9
108.04468	0.8
109.10130	0.5
110.06009	1.3
111.04432	0.9
115.05473	0.6
120.04454	8.2
120.08092	2.0
122.05995	2.9
129.10197	1.8
130.06517	1.0
134.05981	2.3
136.07565	2.1
138.05493	14.0
143.08492	0.8
143.11800	0.8
144.08046	1.0
145.06528	0.7
146.06000	1.4
148.03880	1.3
153.06995	0.9
154.04979	0.6
154.06433	0.6
155.07230	0.6
158.06000	1.3
158.09599	0.6
162.05461	2.1
164.07057	10.4
166.04985	10.8
167.07262	0.9
168.08041	1.2
169.08885	0.7
170.09650	2.8
171.09146	0.9
172.07594	1.7
176.07077	2.1
180.08127	1.1
182.08147	9.9
182.09595	0.8
183.06769	1.1
184.06146	0.7
184.07567	1.8
184.11198	1.1
185.08275	3.0
185.10583	1.0
186.09154	1.5
187.08650	1.0
187.10728	0.6
194.09619	0.7
196.07607	2.1
197.08302	0.7
198.07538	0.7
198.09166	9.8
199.08502	4.2
200.09344	1.3
201.10197	1.4
208.06001	3.4
210.09222	0.9
211.06308	0.6
212.07248	0.6
212.10854	3.6
213.06442	2.5
213.10190	8.8
214.08600	2.6
214.10934	1.5
215.08212	1.9
222.09187	0.9
223.08627	1.0
224.07054	1.3
225.07832	0.6
225.10007	0.9
226.08687	19.0
227.08125	6.2
227.11583	2.5
228.08865	1.7
229.09552	1.0
231.11227	0.7
237.10147	1.0
238.08617	2.2
239.08357	0.6
239.11780	1.0
240.10236	5.7
241.09698	28.1
242.08203	1.2
242.10335	3.1
251.08188	0.7
255.11278	6.8
256.09726	3.6
258.11261	1.9
259.10751	5.7
260.11545	1.7
265.09741	2.6
266.08124	1.8
267.11224	3.0
268.09705	8.1
269.09198	7.6
271.10822	1.5
273.12277	1.8
275.10065	0.9
283.10730	6.8
284.09030	5.6
285.12469	0.8
286.10721	5.0
287.10254	18.2
293.09335	1.2
301.11807	17.4
302.10010	0.7
311.10208	5.8
312.08398	1.2
315.09592	1.6
319.12827	6.4
329.11230	5.5
329.24973	0.9
330.09778	1.5
347.12347	100.0
347.26151	3.5
348.12762	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	346.2948
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	11.8
56.05025	11.6
57.07074	20.8
58.06585	5.2
60.04223	6.4
60.04520	100.0
64.41281	3.0
66.98875	3.1
67.05498	30.6
69.07059	23.0
69.33173	3.4
69.47390	39.0
70.06568	5.0
71.08617	11.8
72.04510	4.6
79.05498	25.5
81.07055	26.8
82.06566	9.7
83.04980	10.3
83.08626	11.3
84.04484	4.3
85.10139	4.4
86.06053	25.6
86.09665	6.2
88.03987	5.9
88.07617	11.7
91.05470	7.1
93.07034	25.2
95.04927	4.3
95.08600	32.4
97.10146	8.3
98.21090	17.0
99.22937	3.6
107.08579	9.7
109.10151	12.8
110.06036	4.2
110.36477	3.6
111.11736	3.8
114.60687	3.8
121.10132	17.2
123.11710	4.4
135.11676	11.6
155.01038	4.0
163.37071	3.9
173.40367	3.3
185.77364	3.8
234.14886	11.7
254.28488	4.1
264.26840	12.3
265.25192	28.2
270.27869	8.8
282.27908	66.7
283.28384	4.0
290.21240	8.6
292.26309	27.0
298.30981	6.2
300.29016	32.1
310.27423	37.6
328.28360	38.4
346.27527	5.2
346.33148	49.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.2585
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	15.2
57.03427	4.0
65.59096	3.4
67.05499	67.9
68.96458	2.9
69.07048	17.5
70.06599	4.0
71.28392	5.6
71.28728	5.3
72.08164	3.1
73.86298	3.1
79.05464	15.8
81.07050	22.6
83.05003	3.3
83.08598	11.4
86.09678	4.4
91.05469	11.4
93.07040	14.8
95.08589	18.2
97.10160	12.1
105.07001	6.1
107.08579	17.0
109.10149	64.3
111.08084	4.7
119.08566	9.9
121.10116	6.0
125.09601	8.8
133.10086	5.5
137.05975	6.2
137.09579	3.9
139.11179	4.1
145.10074	4.1
147.11653	7.7
155.10643	13.4
159.11647	3.6
173.11732	100.0
173.13229	6.5
189.11220	13.9
275.20050	21.2
293.21002	5.4
327.43121	4.2
327.49976	4.0
347.12994	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	346.2221
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	0.3
55.05494	1.1
56.05029	0.6
57.03432	0.3
60.04510	1.5
67.05502	2.3
68.05005	1.3
69.03417	0.5
69.07051	0.9
69.94723	2.0
70.06584	26.2
72.08155	0.7
79.05470	1.1
81.03404	0.8
81.05788	0.4
81.07050	3.2
82.06561	0.9
83.04934	0.3
83.08614	0.4
84.04499	0.3
84.08123	1.3
85.06553	0.6
86.09696	0.4
87.04479	0.3
91.05472	1.6
93.07011	1.2
94.06538	0.4
95.08597	0.7
96.08128	1.2
97.06515	0.5
98.06044	0.6
98.21404	0.4
100.07605	2.4
100.85374	0.3
104.80604	0.3
105.07060	0.5
107.08574	0.7
108.08104	0.7
109.02862	0.7
109.06474	0.4
109.08898	0.5
109.10133	0.7
110.09673	1.2
114.05524	1.8
116.07076	2.7
120.08130	0.5
123.11689	0.9
128.07056	2.1
131.08511	0.3
133.10056	0.3
134.06044	0.8
136.95935	0.3
137.05893	0.5
137.09615	0.5
142.08575	0.3
149.09517	0.4
152.07059	1.8
154.08574	1.6
175.03856	0.4
187.13316	0.6
190.72479	0.3
199.08624	0.7
203.12778	0.5
210.18359	0.3
211.95425	0.3
220.16949	2.4
231.07571	0.3
238.17996	37.8
239.18364	1.4
250.47768	0.3
255.07761	0.4
266.17490	30.1
267.17853	1.1
282.20380	0.3
283.02792	0.4
283.10684	0.7
284.18533	100.0
285.18820	3.9
310.23746	0.4
311.10059	0.8
328.21158	5.3
328.24844	0.7
329.11340	1.5
339.05136	0.3
346.08786	0.6
346.22086	0.9
346.26010	0.9
347.08820	0.3
347.12482	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.1
55.01856	1.9
55.05505	3.5
56.05035	3.2
56.96560	2.3
57.03428	2.1
57.07061	1.2
58.02958	1.1
60.04518	100.0
67.05495	10.6
68.05016	1.5
69.03410	1.9
69.07060	23.7
69.07425	1.5
69.51814	1.3
69.52228	5.2
70.02963	0.7
70.06590	9.0
71.04977	1.4
71.06914	0.7
72.04497	8.4
72.08144	8.9
73.02898	1.0
73.08472	0.8
74.06075	2.7
75.05597	2.5
79.05479	9.5
80.04995	2.0
81.03415	1.7
81.07044	14.7
82.06583	1.6
83.04970	1.3
83.84525	0.6
84.04492	3.1
84.08124	7.1
85.02881	5.6
85.04026	0.8
85.06530	2.5
86.09693	14.5
87.04464	0.9
87.10064	0.9
88.03988	1.7
90.05529	1.2
91.05467	12.3
93.07030	8.0
94.06567	1.9
95.04962	1.9
95.08586	7.2
96.08134	1.0
97.02877	2.5
97.06536	1.2
98.06070	1.0
98.97582	0.8
99.08087	4.8
99.26582	0.8
101.03484	7.2
102.05524	1.7
103.05030	8.1
105.07003	5.7
107.04974	0.9
107.08588	3.4
108.08112	1.3
109.04022	0.7
109.06516	0.8
109.10159	2.5
110.05996	0.9
110.07150	2.3
111.04327	1.0
112.05074	13.5
112.07605	1.3
112.08783	0.8
113.03461	1.2
113.06005	1.2
114.05510	1.4
115.03922	1.3
116.05024	0.7
116.07082	2.5
116.98604	1.0
117.07000	3.6
118.06524	1.5
119.08564	4.9
119.54526	0.7
120.08117	3.5
120.08848	0.8
121.06508	2.5
121.10106	3.5
123.08083	1.2
124.05063	21.5
125.05865	0.8
125.09605	1.6
125.10653	0.7
127.03915	1.1
128.04544	14.9
129.02988	1.7
129.06990	1.2
129.10245	2.9
131.08548	3.5
132.06554	8.6
133.04936	1.6
133.10063	3.4
135.11664	2.2
136.05060	1.7
136.07555	1.1
137.05934	1.9
137.09596	0.7
138.06508	1.3
140.04553	2.6
142.08646	0.9
143.08511	1.0
143.11813	1.0
144.06541	1.3
145.04964	1.4
145.10118	1.8
146.05597	17.4
147.08119	0.7
147.11679	2.0
149.09592	0.8
150.07625	2.4
156.10175	1.5
157.10094	0.9
159.11653	2.3
160.06046	2.2
161.07092	1.6
161.13243	1.2
162.07611	1.5
169.09697	3.3
171.11406	0.9
173.13261	0.9
175.14803	1.3
178.09727	4.0
180.11330	2.1
185.09166	1.7
185.16521	0.9
187.11125	1.0
187.14732	0.7
192.51105	0.8
196.10776	13.0
196.12437	1.2
197.09171	1.8
201.12309	8.2
214.11841	52.6
215.10143	1.4
215.12146	1.9
229.11722	1.6
230.17564	0.9
248.20020	0.8
260.08765	5.4
274.04123	0.9
274.21732	0.8
277.70712	0.7
278.09775	3.4
292.22711	2.8
310.23715	5.4
328.07950	1.1
328.15002	0.9
328.24780	17.9
346.09064	1.5
346.16245	13.0
346.25842	87.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.1494
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56726	1.3
53.03936	3.1
55.01858	2.3
55.05494	2.0
55.62954	1.3
56.05017	2.7
56.96539	1.9
57.03428	7.2
60.04237	2.2
60.04520	39.7
61.02916	12.9
65.03917	1.3
67.05484	4.5
69.03427	17.8
69.07047	1.3
70.06589	7.2
71.04980	3.3
71.73177	1.4
71.73536	2.8
72.04504	2.1
72.08146	7.1
73.02896	4.4
73.08482	1.9
74.00665	1.5
79.05491	7.1
81.03406	8.3
81.07034	5.8
82.06614	1.3
83.04923	1.2
84.04512	10.1
84.08123	2.5
85.02896	100.0
86.09705	17.2
87.04465	2.9
87.10052	1.6
91.03952	6.3
91.05470	11.0
91.83345	1.2
93.07029	4.3
94.06534	1.5
95.04973	1.9
95.08567	4.2
96.08112	1.3
97.02882	27.3
98.97569	1.8
99.04422	4.9
99.08116	2.4
102.05534	1.8
103.05454	9.9
104.07076	4.9
105.07014	2.0
107.04936	1.7
107.08582	1.6
109.02860	8.6
115.03239	2.8
116.07079	3.1
117.31904	1.4
118.06538	11.7
119.08543	1.6
120.08114	7.0
121.06496	76.0
121.10117	2.2
127.03903	22.9
130.05006	1.4
131.04913	3.8
131.08539	2.4
135.11731	1.4
137.05910	1.5
138.09123	1.4
139.07515	2.2
144.06566	1.5
145.04947	35.6
145.10094	1.4
149.05943	3.0
162.07620	3.0
163.06021	6.1
164.07053	4.6
167.07016	7.1
170.11884	1.4
197.12909	2.8
201.12251	2.4
201.14114	1.5
215.13887	4.5
218.05948	3.6
224.03224	1.3
234.91217	1.3
234.98149	1.4
238.02876	1.7
241.09741	1.7
269.90051	1.5
274.04196	2.4
310.23605	1.6
328.24683	7.4
346.22162	3.3
346.25919	30.7
347.12311	1.5
353.06393	1.7
362.87439	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.2997
Annotation	Aggreceride C
Peak:m/z	Relative Intensity
55.05504	18.7
57.03424	8.6
57.07073	100.0
67.05498	30.1
67.10844	1.8
69.07063	17.2
70.70623	2.9
70.71004	3.4
71.08627	77.9
75.04467	3.6
81.07055	39.3
83.08613	28.5
85.09679	3.0
85.10175	41.7
93.07045	3.2
95.08601	66.1
97.10165	24.6
99.11723	3.4
99.69833	2.1
107.08553	2.0
109.10137	28.5
111.11721	5.4
120.01900	1.7
123.11674	11.6
126.46339	2.1
137.13264	6.4
151.14821	5.3
167.81133	1.9
205.08589	4.1
223.09650	5.7
235.24190	2.6
253.25241	17.5
271.26251	8.8
327.28922	64.7
345.20581	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.1395
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08289	1.0
53.55859	1.0
55.01866	1.2
55.05495	1.0
56.05033	1.9
56.96561	2.0
57.03425	1.2
58.05352	1.3
60.16489	1.2
67.05508	1.0
69.03403	2.0
70.06585	7.4
71.04983	1.6
71.22613	2.2
71.22999	2.3
72.08144	3.6
72.93797	1.2
73.02905	2.6
77.69072	1.1
81.03419	2.1
83.05002	1.1
84.04507	2.0
84.08121	3.6
85.02903	5.5
85.07638	1.2
86.09697	4.1
91.05478	1.8
93.07071	1.1
94.06577	1.1
95.04979	1.1
96.08136	1.5
97.02869	2.9
97.06483	1.2
98.21211	1.6
98.97604	2.2
106.06539	1.9
109.02891	1.9
110.06016	4.6
110.07141	1.8
111.80114	1.1
116.07097	4.0
116.98608	1.2
119.01926	2.4
119.04966	1.1
120.08037	1.2
122.06004	2.5
123.04406	1.3
124.07607	1.5
127.03929	2.0
129.10240	2.5
132.03516	1.7
132.04462	4.2
133.03406	2.3
134.05995	9.4
136.06241	1.2
136.07532	2.0
138.05492	4.0
138.09138	1.8
140.07057	28.1
141.51987	1.2
142.08630	5.7
143.01878	1.1
144.95836	1.7
145.03484	2.0
146.05992	15.2
147.04401	2.3
148.07590	1.4
150.05498	3.2
152.07031	7.4
153.04068	3.2
154.06163	2.2
154.08633	2.1
155.01807	1.3
161.02983	3.0
161.07124	3.0
162.05518	1.6
162.54462	1.3
163.02722	1.3
163.08664	1.5
164.07085	5.0
166.08640	2.6
168.07999	1.2
173.02885	1.2
180.08052	2.1
183.06761	2.0
183.57028	1.5
184.06122	1.5
184.09657	2.7
185.02934	2.2
196.07500	7.6
196.13216	1.1
197.08322	2.0
198.09183	6.3
204.57561	2.0
213.06186	2.1
213.10272	1.2
214.06448	3.3
214.08624	1.3
221.10701	1.2
222.09242	1.8
226.08655	4.5
228.10124	2.2
234.98984	3.1
237.02606	1.1
237.10197	2.5
239.11760	3.5
240.10207	1.7
241.09769	10.7
242.10394	1.7
243.09000	2.7
243.11287	2.6
249.10201	2.6
251.08170	2.7
252.09007	4.8
253.09666	4.3
255.11237	6.1
265.09698	6.0
267.11249	13.2
283.10724	22.5
284.14020	2.1
285.12320	26.1
286.12735	1.4
300.12921	1.2
302.14999	4.3
310.16565	3.8
311.10229	7.5
329.11301	23.7
330.11841	1.5
340.96439	1.2
346.13983	100.0
347.04190	1.6
347.14249	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	345.2396
Annotation	medroxyprogesterone
Peak:m/z	Relative Intensity
52.67724	0.9
55.67185	1.0
57.07061	3.1
57.07318	0.8
66.29901	0.8
71.08604	1.2
79.05476	0.8
85.10174	1.5
88.45244	0.8
94.25870	0.7
95.08598	1.9
97.10117	0.8
103.67063	0.9
107.08558	0.9
109.10142	1.5
135.04413	1.1
144.44229	0.8
163.03882	1.9
181.04933	1.6
205.08595	1.0
219.10143	8.9
223.09648	1.2
237.85579	0.8
275.16226	3.9
295.82468	0.9
345.23978	100.0
346.24359	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	345.2996
Annotation	Aggreceride C
Peak:m/z	Relative Intensity
55.05500	13.8
57.03442	8.7
57.07066	100.0
62.77986	4.3
63.59576	3.6
67.05494	32.5
69.07074	16.3
71.08619	66.7
76.47036	3.9
79.05492	6.0
81.07043	37.5
83.08607	31.5
85.10170	40.7
95.08594	53.8
97.10181	17.9
105.07048	5.0
109.10146	35.1
111.11708	4.1
112.63737	5.1
123.11724	12.3
253.25374	9.4
302.13318	4.4
327.28879	61.8
328.29279	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	345.2058
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03297	0.2
53.03938	0.6
53.45119	0.2
55.05490	1.1
60.02982	0.2
67.05492	1.9
68.63781	0.2
69.03400	0.9
69.07064	1.7
69.38696	2.0
69.39111	0.8
79.05476	1.9
81.07047	1.7
83.01329	4.9
83.08609	0.4
85.02883	0.2
91.05465	3.7
93.07036	9.0
94.07339	0.3
95.04959	0.5
95.08582	1.0
98.21555	0.5
105.07025	2.2
106.08627	1.1
107.04935	0.3
107.08577	12.6
107.90990	0.2
108.08897	0.3
109.06461	0.8
109.10139	3.5
113.05989	0.7
115.05417	0.3
116.06216	0.3
117.06977	0.8
119.04928	0.3
119.06061	0.4
119.08562	1.4
121.06499	4.5
121.10109	1.5
123.08031	0.3
123.11692	2.8
131.08549	2.7
133.10110	0.3
135.07036	0.5
135.08040	6.1
135.11679	14.2
136.11964	0.4
137.05965	0.4
144.05670	0.4
145.06508	0.6
147.04404	0.5
149.05917	1.0
149.09595	4.1
153.05414	2.5
159.08052	5.5
159.11620	0.3
161.05916	0.6
162.05399	0.5
162.06749	7.0
163.06206	0.6
163.07530	8.8
165.09038	0.7
177.09093	16.5
178.09413	0.7
181.08615	0.4
187.07521	4.8
187.65724	0.3
189.09152	0.4
190.06198	0.6
191.06993	0.6
193.08597	2.2
201.08997	0.3
205.08583	70.6
206.08885	2.2
211.09651	4.2
217.08463	0.3
219.10135	1.1
223.09628	100.0
224.09967	3.3
237.11177	1.0
243.10229	1.3
261.11212	1.0
271.13376	0.5
275.16376	0.3
289.14374	0.4
327.19553	2.6
345.20569	16.5
345.31662	0.4
346.20938	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.2056
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	0.2
55.05490	0.5
57.03419	0.3
57.07051	0.2
67.05495	1.0
69.03419	0.9
69.07064	1.4
69.41570	1.1
69.41997	1.2
70.81247	0.2
77.87170	0.2
79.05482	1.1
81.07046	2.8
83.01328	3.7
91.05476	2.5
93.07033	5.8
95.04961	0.4
95.08578	1.0
97.41113	0.2
102.07201	0.2
102.39583	0.2
105.07034	0.9
107.08585	5.8
109.06499	0.5
109.10148	1.8
113.05984	0.6
116.06190	0.3
117.06978	0.6
119.08548	0.6
121.06503	2.9
121.10134	0.9
123.11696	12.4
124.11987	0.3
129.07013	0.3
131.08548	2.2
133.10110	0.4
135.08060	4.1
135.11685	9.1
137.09592	0.3
144.05682	0.2
145.06485	0.2
145.10075	0.3
149.05980	0.7
149.09599	3.1
153.05444	1.6
159.08047	4.1
160.08310	0.2
161.05959	0.4
161.09576	0.3
162.06754	4.2
163.07532	7.6
165.05495	0.3
165.09093	0.4
166.05800	0.3
173.09563	0.3
176.08315	0.5
177.09099	12.0
178.09502	0.4
181.08563	0.4
187.07523	3.8
187.09070	0.4
189.09109	0.5
190.06247	0.4
191.07021	1.1
191.10664	0.8
192.07805	0.6
193.08588	1.4
201.09106	0.5
205.08589	59.7
206.08917	2.0
211.09604	3.1
215.10670	0.6
219.10121	2.8
222.12428	0.2
223.09631	100.0
224.09981	2.9
229.08701	0.9
229.12173	0.2
231.10101	0.3
233.11713	0.3
235.09760	0.3
237.11180	3.6
243.10130	2.5
243.13815	0.4
244.10483	0.3
245.11760	0.2
247.09540	0.6
249.11305	0.3
257.11685	0.2
259.13202	0.2
261.11255	3.1
263.12854	0.2
265.14270	0.2
271.13297	1.1
275.16327	0.4
289.14307	4.0
290.81955	0.2
327.19510	4.0
328.19733	0.4
345.20547	28.4
346.20938	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.2057
Annotation	Hyperguinone B
Peak:m/z	Relative Intensity
52.70602	0.4
53.03938	0.9
55.01859	0.8
55.05508	2.5
55.79520	0.4
57.03405	0.5
57.07068	0.6
67.05494	3.9
68.45530	0.4
69.03437	2.6
69.07051	2.3
69.57948	3.5
70.42193	0.4
71.04967	0.9
79.05482	4.7
81.07053	5.1
83.01326	6.6
83.04958	0.5
83.08599	0.8
85.06497	0.5
91.05467	5.6
93.07037	20.6
94.07344	0.5
95.04945	2.0
95.08604	2.4
105.07018	3.0
107.04944	0.6
107.07917	0.7
107.08588	10.9
109.06499	1.1
109.10144	4.4
113.06004	4.0
113.29657	0.5
115.05396	0.6
116.06240	0.5
117.07018	1.2
119.08573	2.9
121.06489	6.9
121.10115	1.7
123.04414	0.6
123.08036	1.3
123.11686	2.0
123.25003	0.5
128.67090	0.4
129.06953	0.5
129.08998	0.4
131.08580	2.6
133.10126	0.9
135.08040	6.7
135.11679	14.0
136.11974	0.5
137.05948	1.0
139.07526	1.0
141.06966	0.7
144.09329	0.4
145.06456	0.8
145.10143	2.1
147.08049	0.9
149.05951	1.4
149.09622	5.8
151.07530	1.4
153.05449	1.4
154.07747	0.6
155.07066	0.4
155.08606	0.5
159.08051	4.8
159.11624	0.5
161.06070	0.8
161.09615	0.5
162.06767	5.1
163.07545	7.5
163.11150	1.0
165.05453	0.5
165.09117	1.6
167.07004	1.1
169.08531	0.6
169.10124	0.5
172.08749	1.3
173.09618	3.3
175.07510	1.9
175.11111	0.5
176.08360	3.8
177.05565	1.1
177.09105	13.9
177.12723	1.4
178.06120	0.6
178.09473	0.6
180.54102	0.5
181.08589	1.1
183.08060	0.5
185.05908	1.2
187.07545	4.7
187.11142	2.7
189.09093	1.4
190.06215	0.7
190.09859	0.6
191.07013	11.1
191.10643	7.6
192.07785	6.0
193.08592	5.4
195.10178	0.6
197.09628	1.6
199.07703	0.5
200.08252	1.9
201.09076	3.9
203.07030	1.0
203.10736	0.7
204.07774	1.8
205.08589	55.5
206.08984	1.8
211.09604	4.3
211.11411	0.6
213.09138	0.5
215.07219	0.5
215.10677	10.9
217.00378	0.5
217.08588	0.9
218.09384	1.2
219.10149	26.0
220.10596	0.9
223.09636	51.8
224.10045	2.5
225.09052	1.9
225.12636	0.7
227.10583	0.5
228.07780	2.1
228.11476	0.7
229.08633	2.5
229.12195	1.3
231.10121	1.4
233.11710	6.8
237.11192	29.5
238.11603	0.8
242.09474	0.8
243.10156	33.1
243.13892	1.4
244.10567	1.7
245.11691	1.4
246.08833	1.7
247.09616	1.4
247.13309	0.9
249.11037	0.7
253.12256	0.8
255.09904	0.6
257.11737	1.3
259.13223	0.9
261.11215	40.7
262.11572	1.8
263.12915	0.6
265.14279	1.1
267.38046	0.5
271.13284	9.1
275.12820	1.2
275.16339	2.7
285.14819	0.5
289.14331	21.9
289.17044	1.0
290.14618	1.3
303.15942	0.7
327.19504	18.6
328.19846	1.5
345.20566	100.0
346.20950	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.2056
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	1.0
60.11730	0.4
63.38472	0.4
67.05515	1.5
67.28088	0.4
69.03439	0.8
69.07069	1.0
71.14803	0.8
71.15122	0.7
73.12754	0.4
74.06052	0.7
78.50107	0.4
79.05496	1.6
81.07059	1.3
83.01334	5.7
83.01772	0.6
83.08617	0.6
88.07637	1.6
89.07944	0.5
91.05466	3.1
93.07046	5.1
95.04951	0.6
105.07021	1.3
107.08582	6.2
109.06532	0.7
109.10178	1.7
113.06052	0.5
117.07021	1.0
119.08598	0.9
121.06492	3.5
121.10126	1.1
123.11693	1.1
131.08551	3.3
133.10146	0.8
135.08040	6.3
135.11682	7.4
137.05920	0.5
145.06480	0.5
149.05988	1.3
149.09624	5.6
159.08044	5.3
161.05962	0.7
162.06754	7.2
163.07542	8.5
177.09099	15.6
187.07545	4.5
190.06303	0.7
191.06868	0.5
192.07790	0.5
193.08615	1.0
205.08589	67.9
206.08919	2.4
211.09688	1.9
219.10094	1.1
223.09633	100.0
224.09917	3.2
237.11226	1.3
243.10118	0.8
243.20778	0.4
245.11734	0.5
261.11105	0.7
263.12729	1.4
278.21902	0.6
327.19379	2.1
345.16559	0.8
345.20569	12.1
345.31952	3.0
346.20975	0.6
350.38556	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.2057
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70602	0.4
53.03938	0.9
55.01859	0.8
55.05508	2.5
55.79520	0.4
57.03405	0.5
57.07068	0.6
67.05494	3.9
68.45530	0.4
69.03437	2.6
69.07051	2.3
69.57948	3.5
70.42193	0.4
71.04967	0.9
79.05482	4.7
81.07053	5.1
83.01326	6.6
83.04958	0.5
83.08599	0.8
85.06497	0.5
91.05467	5.6
93.07037	20.6
94.07344	0.5
95.04945	2.0
95.08604	2.4
105.07018	3.0
107.04944	0.6
107.07917	0.7
107.08588	10.9
109.06499	1.1
109.10144	4.4
113.06004	4.0
113.29657	0.5
115.05396	0.6
116.06240	0.5
117.07018	1.2
119.08573	2.9
121.06489	6.9
121.10115	1.7
123.04414	0.6
123.08036	1.3
123.11686	2.0
123.25003	0.5
128.67090	0.4
129.06953	0.5
129.08998	0.4
131.08580	2.6
133.10126	0.9
135.08040	6.7
135.11679	14.0
136.11974	0.5
137.05948	1.0
139.07526	1.0
141.06966	0.7
144.09329	0.4
145.06456	0.8
145.10143	2.1
147.08049	0.9
149.05951	1.4
149.09622	5.8
151.07530	1.4
153.05449	1.4
154.07747	0.6
155.07066	0.4
155.08606	0.5
159.08051	4.8
159.11624	0.5
161.06070	0.8
161.09615	0.5
162.06767	5.1
163.07545	7.5
163.11150	1.0
165.05453	0.5
165.09117	1.6
167.07004	1.1
169.08531	0.6
169.10124	0.5
172.08749	1.3
173.09618	3.3
175.07510	1.9
175.11111	0.5
176.08360	3.8
177.05565	1.1
177.09105	13.9
177.12723	1.4
178.06120	0.6
178.09473	0.6
180.54102	0.5
181.08589	1.1
183.08060	0.5
185.05908	1.2
187.07545	4.7
187.11142	2.7
189.09093	1.4
190.06215	0.7
190.09859	0.6
191.07013	11.1
191.10643	7.6
192.07785	6.0
193.08592	5.4
195.10178	0.6
197.09628	1.6
199.07703	0.5
200.08252	1.9
201.09076	3.9
203.07030	1.0
203.10736	0.7
204.07774	1.8
205.08589	55.5
206.08984	1.8
211.09604	4.3
211.11411	0.6
213.09138	0.5
215.07219	0.5
215.10677	10.9
217.00378	0.5
217.08588	0.9
218.09384	1.2
219.10149	26.0
220.10596	0.9
223.09636	51.8
224.10045	2.5
225.09052	1.9
225.12636	0.7
227.10583	0.5
228.07780	2.1
228.11476	0.7
229.08633	2.5
229.12195	1.3
231.10121	1.4
233.11710	6.8
237.11192	29.5
238.11603	0.8
242.09474	0.8
243.10156	33.1
243.13892	1.4
244.10567	1.7
245.11691	1.4
246.08833	1.7
247.09616	1.4
247.13309	0.9
249.11037	0.7
253.12256	0.8
255.09904	0.6
257.11737	1.3
259.13223	0.9
261.11215	40.7
262.11572	1.8
263.12915	0.6
265.14279	1.1
267.38046	0.5
271.13284	9.1
275.12820	1.2
275.16339	2.7
285.14819	0.5
289.14331	21.9
289.17044	1.0
290.14618	1.3
303.15942	0.7
327.19504	18.6
328.19846	1.5
345.20566	100.0
346.20950	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1542
Annotation	Taxuside
Peak:m/z	Relative Intensity
53.03944	4.0
55.01870	1.4
55.05505	1.6
57.03426	1.0
58.11589	0.7
65.03927	0.7
67.05499	25.6
69.03424	4.5
69.07051	1.7
69.39175	0.9
69.39577	6.1
70.06577	2.2
71.04982	1.9
72.08149	0.8
77.91685	0.7
79.01938	0.6
79.05480	2.7
81.03413	37.6
81.07052	14.7
83.04967	1.1
84.08096	0.9
85.02900	3.6
86.09682	2.7
91.05467	3.2
93.07041	4.9
95.04970	4.1
95.08598	9.7
99.04435	5.4
107.08558	2.8
109.02873	33.6
109.06511	2.7
109.10149	53.7
110.10541	0.8
116.07068	0.9
117.06974	1.0
119.04935	1.1
119.08568	4.8
121.10109	0.8
125.05956	3.1
127.03901	2.7
133.02911	0.7
137.05957	2.8
137.09605	100.0
138.09929	2.6
140.64334	0.7
141.57602	0.7
145.04982	1.7
147.04390	3.6
147.08002	0.6
148.04712	3.6
155.10664	9.4
157.41774	0.7
165.05464	1.5
165.09109	62.3
166.05789	1.4
166.09494	1.5
183.10141	7.0
201.11201	7.2
201.70193	0.7
276.75958	0.8
298.58820	0.8
309.13434	3.3
327.14407	15.4
345.06070	2.6
345.15295	2.6
352.07449	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1694
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	3.3
60.04524	22.2
69.07056	3.9
70.06587	9.5
70.32546	10.5
77.72011	2.6
79.05470	6.6
81.03448	3.4
81.07030	3.6
84.04486	2.5
84.08139	6.4
86.09712	4.9
91.05474	11.1
93.07045	3.1
94.04170	5.0
103.05452	6.9
105.07036	8.9
115.05461	6.2
117.07003	3.8
121.06481	3.6
122.03658	7.9
123.04425	9.3
125.05989	3.6
129.07008	4.2
129.10217	2.6
131.04968	13.2
131.21999	2.6
133.02892	4.7
133.06506	12.0
135.08032	2.7
137.05965	100.0
138.06421	4.8
139.03908	2.8
143.05008	2.9
145.06509	3.8
149.05995	3.2
151.03911	10.5
151.07578	3.2
153.05455	18.1
154.05969	2.6
157.06619	3.2
161.06036	6.3
163.07523	19.7
167.06995	4.3
174.06741	3.2
175.07538	14.3
176.08034	3.5
177.05495	4.6
187.07565	3.8
189.09120	10.7
191.07094	6.5
193.08553	4.2
195.08066	3.9
203.07082	6.1
211.07491	3.2
221.08032	3.7
237.09157	2.7
265.08609	3.1
295.09753	5.3
309.11392	3.2
309.22833	2.6
318.13150	2.6
327.12155	9.3
327.23676	10.2
338.41165	2.7
345.13281	10.8
345.24896	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	345.1539
Annotation	Taxuside
Peak:m/z	Relative Intensity
51.18041	0.8
53.03927	3.9
55.01861	1.9
55.05501	3.9
56.05025	2.0
60.04509	1.5
60.64342	0.9
61.27496	0.8
61.86689	0.9
65.03930	1.7
65.91722	0.9
67.05495	22.3
69.03421	4.4
69.07046	2.3
69.63969	6.1
70.06582	16.3
71.04986	1.3
71.06927	1.5
72.08147	11.1
74.06073	2.8
79.05473	3.9
81.02930	1.9
81.03407	37.6
81.07046	12.3
84.04480	4.6
84.08136	10.4
85.02902	4.7
86.09694	19.9
91.05477	5.5
93.07011	3.6
95.04980	5.2
95.08589	8.8
97.02847	1.3
97.06506	1.4
99.04431	6.1
99.08064	0.9
102.05547	1.0
103.05441	1.2
107.08565	2.3
109.02866	37.9
109.06487	2.7
109.10146	49.6
110.03188	1.2
110.07140	2.8
110.10437	1.4
112.08725	2.3
113.07052	0.9
115.05433	2.0
116.07072	3.3
117.07441	0.9
119.04913	2.2
119.08578	3.6
120.05267	1.6
120.06576	1.3
120.08075	3.8
122.03601	2.5
123.04405	1.1
125.05952	3.4
127.03835	2.0
129.10242	5.2
130.08620	1.4
132.10191	1.1
136.07547	1.1
137.05966	45.5
137.09599	100.0
138.09918	2.2
143.04938	1.4
143.11771	1.9
145.04953	1.7
147.04407	8.3
147.08005	0.9
147.11310	1.1
148.04736	7.6
149.06004	1.0
149.90907	1.1
151.03857	1.3
155.10645	10.3
160.05159	1.1
161.05949	2.6
161.09187	1.4
165.05460	4.3
165.09093	61.8
166.05806	4.5
166.09476	1.2
175.07512	3.1
183.10103	5.1
191.06908	1.7
199.17996	1.9
201.11156	11.1
203.06967	1.4
207.08090	2.0
221.06059	1.0
237.09006	1.9
265.08752	1.3
267.10132	2.2
277.08414	2.3
285.11105	1.4
295.09644	1.6
297.11249	1.8
309.13245	3.0
310.13849	0.9
327.14487	18.3
345.15656	1.8
345.22244	2.1
346.09006	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	345.1541
Annotation	Taxuside
Peak:m/z	Relative Intensity
53.03946	5.0
55.01854	2.0
55.05500	3.5
57.03432	2.3
57.16330	0.8
60.04512	2.0
65.03953	1.0
67.05137	1.5
67.05499	27.9
69.03422	3.9
69.07053	2.6
70.06583	4.4
71.04985	6.5
71.08244	1.7
72.08146	2.2
73.02907	0.8
79.05482	3.6
81.03408	39.9
81.07045	18.9
83.04958	1.7
84.04479	1.1
84.08141	2.7
85.02911	1.9
86.09695	3.3
86.46550	0.7
91.05472	5.5
93.07041	5.9
95.04967	6.1
95.08586	12.2
97.06508	1.0
99.04435	19.1
99.08066	1.2
105.07034	2.4
107.04944	1.3
107.08571	3.1
109.02868	34.4
109.06502	2.3
109.10141	51.7
111.04444	0.9
112.11211	0.9
114.05550	0.7
116.07059	1.9
119.08537	5.9
121.10123	3.1
123.08037	1.5
123.11697	8.7
125.05977	2.8
127.03921	5.2
129.10211	1.0
131.04950	0.8
137.02341	1.3
137.06038	5.6
137.09601	100.0
138.09949	2.0
145.04958	2.3
147.11661	4.7
149.05956	1.6
155.10649	10.4
159.08066	0.8
165.09100	68.9
165.12755	3.8
166.09499	1.2
183.10168	6.8
183.13820	1.5
201.11185	8.2
207.08070	1.2
235.07480	1.3
253.08583	1.5
254.17493	2.3
255.17839	9.3
301.18289	4.7
302.04291	1.1
309.13223	3.4
327.14435	13.9
327.18442	1.2
327.20044	1.9
345.05960	8.0
345.15564	6.7
346.25644	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.154
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68061	0.5
53.03933	2.3
54.23701	0.6
55.01860	1.4
55.05502	2.4
56.05013	1.0
57.03425	1.9
57.07034	0.6
61.02917	1.2
65.03912	0.9
67.05495	26.7
69.03419	6.5
69.07058	2.6
70.02900	0.6
70.06583	10.3
70.45219	2.7
71.04977	2.7
72.08160	4.5
78.00141	1.5
79.05463	2.8
81.03408	36.6
81.07043	12.9
83.04948	1.0
84.04493	1.7
84.08135	6.3
85.02892	5.0
86.03207	1.3
86.06026	0.8
86.09702	8.6
91.05479	4.2
92.05837	0.7
93.07028	3.7
95.04957	5.5
95.08603	8.7
96.65701	0.6
96.92875	0.7
97.02871	1.6
97.06487	0.8
98.06074	0.6
99.04453	5.4
103.05488	0.7
105.03394	0.8
105.07023	0.7
107.04938	1.2
107.08568	3.3
109.02088	0.6
109.02866	36.7
109.06485	3.0
109.10141	51.0
115.05424	0.8
115.08666	0.9
116.07088	3.0
117.05770	1.4
118.06513	1.1
119.04923	3.5
119.08560	3.8
120.05252	1.0
120.08116	1.3
121.10149	1.1
122.03580	0.8
123.04468	1.3
125.05979	2.5
125.06918	0.6
127.03905	3.9
129.06885	0.7
129.10219	2.9
130.08594	0.8
131.04893	0.9
135.08076	0.7
136.07466	1.5
137.02330	0.7
137.05977	7.7
137.09598	100.0
138.09950	2.1
139.02112	7.0
142.08652	1.3
144.06532	1.7
145.04945	1.7
147.04402	9.4
147.08069	1.2
148.04721	10.5
149.05960	0.9
155.10658	8.4
161.05878	0.7
161.09218	1.0
163.07506	0.9
164.07059	1.0
165.05461	4.6
165.09099	58.7
166.05772	4.7
166.09598	1.2
167.07036	1.1
173.09491	0.6
183.10117	7.3
184.04271	7.5
195.02855	1.1
201.11163	8.0
203.09100	0.8
207.07950	0.8
220.50441	0.6
265.08701	0.7
291.12247	0.8
309.13507	4.0
327.14377	14.9
345.06042	5.1
345.15552	1.1
345.18939	0.7
346.18948	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1542
Annotation	Taxuside
Peak:m/z	Relative Intensity
51.80304	0.6
53.03936	3.4
55.01852	1.1
55.05502	2.1
57.03417	1.7
65.03927	0.7
67.05497	26.4
69.03429	4.9
69.07047	1.9
70.06584	6.2
71.04980	2.3
71.72089	0.7
72.08139	2.6
79.05489	2.2
81.03410	35.1
81.07050	12.2
82.03728	0.9
83.04979	1.0
84.04501	1.0
84.08124	2.6
85.02898	4.7
86.09700	4.8
91.05460	4.6
93.07040	3.1
95.04958	5.4
95.08606	8.1
97.02892	0.7
97.41362	0.7
99.04430	6.7
99.08064	1.3
105.07045	0.9
107.04942	0.9
107.08578	3.1
108.08071	1.1
109.02869	37.0
109.06499	2.2
109.10146	54.4
110.10423	0.9
116.07072	3.1
119.04955	1.7
119.08564	5.9
120.05275	0.6
121.06505	0.8
121.10114	1.0
124.07576	0.8
125.05980	2.0
126.09138	0.7
127.03881	3.1
129.10216	1.6
136.07585	0.7
137.06000	7.0
137.09602	100.0
138.09050	0.9
138.09966	2.4
145.04883	0.9
147.04384	4.2
147.07996	1.6
148.04730	5.3
155.10675	10.3
165.05417	2.6
165.09105	60.7
166.05809	3.6
168.23029	0.6
183.10088	6.4
183.11435	0.6
184.09627	0.8
191.06958	0.7
201.09540	1.2
201.11227	9.8
201.51569	0.7
207.08165	0.8
253.08733	1.0
262.17462	0.6
280.04440	0.8
309.13376	3.9
323.94705	0.7
327.14420	16.8
327.17978	0.8
345.05917	3.5
345.09900	0.6
345.15717	3.1
362.86124	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1542
Annotation	Iridotrial glucoside
Peak:m/z	Relative Intensity
50.89561	1.1
53.03937	8.1
55.01870	3.4
55.05505	10.4
57.03424	3.8
57.24286	1.2
61.02924	1.5
66.93026	1.2
67.01994	1.2
67.05498	35.4
69.03421	9.7
69.07054	6.7
70.06580	4.8
71.04990	14.4
72.08148	5.6
73.02916	1.2
79.05486	10.0
81.03413	65.0
81.07050	50.5
81.07534	1.9
83.04974	3.7
83.08604	3.6
84.04493	2.5
84.08134	9.1
85.02898	6.0
85.06536	2.5
85.08487	1.9
86.09711	6.2
91.05463	18.1
93.07037	17.8
95.04949	4.5
95.08595	48.4
96.08886	1.4
97.06537	2.6
98.21481	3.1
99.04450	29.9
99.08157	1.4
101.06017	1.3
105.07022	16.0
107.04974	1.3
107.08585	8.0
109.02869	60.8
109.06523	3.9
109.10144	50.4
112.07587	14.6
113.07261	1.5
113.07944	7.3
116.07121	1.8
119.08562	28.6
121.10137	12.8
123.08070	4.0
123.11701	47.0
127.03899	10.3
129.10262	1.2
137.05998	3.5
137.09602	100.0
137.13264	4.8
138.09981	2.4
145.04936	4.3
147.08040	3.8
147.11670	26.1
155.10648	13.5
158.08121	18.3
159.08458	14.3
165.09103	52.4
165.12749	25.0
167.11731	2.3
175.07510	1.4
179.38742	1.3
183.10146	11.2
183.13789	11.0
186.16869	1.8
201.11201	14.1
213.10681	1.3
243.86205	1.5
299.05505	1.5
309.13306	3.7
309.59921	1.6
327.14380	18.4
342.80322	1.3
345.06403	3.7
345.15030	5.9
345.18771	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.133
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.5
55.01851	0.4
55.05486	0.5
56.05010	0.6
60.04260	0.5
60.04524	4.8
61.04840	0.5
66.04707	0.6
67.05482	0.8
70.06584	3.4
71.04979	0.4
71.75780	0.6
72.08144	1.2
74.06087	0.5
75.96797	0.4
79.05476	1.7
81.07034	1.5
83.08623	0.6
84.04490	0.9
84.08141	1.9
86.09694	2.5
88.03941	0.4
91.05461	3.2
93.07008	1.0
94.04168	2.6
95.04949	1.0
95.08594	1.1
102.05522	0.5
103.05446	1.5
104.03458	0.4
105.07046	0.5
107.04944	1.5
109.02818	0.5
109.06503	1.3
110.07162	0.6
111.04447	0.8
115.05432	1.7
117.07027	0.5
119.08593	0.4
120.08080	1.4
121.06493	1.6
122.03635	8.4
123.52159	0.5
125.05973	0.8
129.10210	1.0
131.04890	2.0
133.02898	0.4
134.03571	0.5
136.07590	0.6
137.05963	100.0
137.09586	1.2
138.06285	3.1
139.06416	0.5
141.06812	0.4
143.04929	1.3
147.04398	1.0
147.08008	0.5
148.05116	0.5
149.06038	1.9
151.03914	0.9
151.07545	0.6
153.05423	0.5
159.04378	0.6
160.05193	1.4
161.05956	4.0
163.07533	0.9
165.05681	0.5
165.06996	1.9
167.08514	0.5
169.06479	0.5
175.07533	3.7
176.04646	0.6
176.07944	0.8
177.05470	1.1
178.07674	0.9
179.07053	0.6
179.08530	1.9
181.06491	1.3
182.07280	1.1
187.07436	0.4
189.05453	0.4
189.06955	1.0
191.07001	3.7
192.07434	0.5
193.06496	1.4
194.07220	1.0
195.08015	1.3
197.06035	0.6
203.07008	2.3
205.06491	1.4
206.07211	1.0
207.08089	1.9
209.05962	0.6
210.06737	1.9
211.07454	1.4
213.09085	0.5
221.05962	2.5
221.08029	0.7
222.06653	1.0
223.07506	1.4
224.08246	1.4
225.09132	2.2
233.06004	1.0
234.06723	1.2
235.07458	0.9
237.09062	1.7
237.12700	0.7
238.06180	1.0
239.06941	0.7
239.10593	1.0
249.09053	1.4
250.06415	0.7
251.07047	1.2
252.07710	1.1
253.08583	3.2
265.08649	2.9
266.09247	1.0
267.10123	3.0
270.08813	0.7
277.08551	2.0
279.06509	0.7
281.11731	0.8
285.11093	3.8
294.08807	1.4
295.09595	1.1
297.11093	2.1
299.12781	0.7
301.12454	0.5
309.11221	3.7
327.12091	1.7
327.23541	0.8
345.11847	1.8
345.24918	2.0
346.25995	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1331
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89001	0.5
53.03945	0.4
55.05491	0.7
56.05011	0.5
57.62454	0.4
67.05499	1.1
69.03410	0.7
70.06580	4.6
71.05006	0.6
71.14404	0.5
71.14732	0.9
72.08149	4.1
74.06055	0.5
77.56705	0.4
79.05482	1.4
81.03406	1.2
81.07052	1.4
84.04486	2.2
84.08140	4.1
86.09686	3.2
91.05475	2.5
94.04175	3.4
95.04961	0.7
102.79563	0.4
103.05429	1.2
103.81702	0.4
107.04930	0.6
109.02856	1.1
109.06550	1.0
109.10145	1.1
110.07120	0.8
111.04411	0.5
112.08730	0.7
115.05433	1.8
119.04915	0.7
121.06487	1.4
122.03635	9.3
122.65499	0.4
125.06007	0.4
129.10248	2.5
131.04930	1.7
133.02808	1.0
135.04398	0.6
135.08072	0.7
137.05960	100.0
137.09499	2.4
138.06313	2.8
143.04941	1.5
144.06589	0.5
145.06480	0.5
147.04425	1.3
148.04828	0.6
149.05968	1.8
151.03888	0.9
151.07587	0.6
153.05478	0.5
159.04407	0.4
160.05174	0.8
161.05977	3.5
163.07509	0.8
165.05463	1.2
165.06963	1.9
165.09079	1.5
167.08504	0.6
175.07506	3.4
176.04620	0.7
177.05489	0.5
178.07756	1.0
179.07100	0.6
179.08519	1.9
181.06345	0.7
182.07277	1.1
186.69057	0.4
189.07005	0.6
191.07016	4.4
193.06448	1.5
194.07271	1.2
195.08054	0.8
196.08786	0.5
197.06024	0.6
199.07635	0.6
203.07056	2.0
205.06488	1.5
206.07304	1.2
207.08057	1.9
210.06703	2.1
211.07491	0.7
221.05939	2.3
221.07849	0.5
222.06703	1.1
223.07509	1.2
224.08298	1.1
225.09109	1.4
227.07047	0.4
233.06044	1.1
234.06673	1.0
235.07492	1.6
237.09097	2.2
238.06256	1.1
239.07008	0.4
239.10617	0.9
249.09096	1.8
251.06943	0.9
252.07779	0.8
253.08569	3.3
254.08966	0.6
262.06125	0.8
263.07141	0.4
265.08621	3.7
266.09314	1.1
267.10141	2.7
270.08896	0.6
277.08618	2.4
279.06412	0.5
282.08823	1.0
284.10803	0.4
285.11172	3.6
294.08777	2.3
295.09543	0.6
297.11127	2.0
309.11163	3.4
315.44562	0.5
327.12180	1.2
345.13354	1.6
345.22223	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1328
Annotation	Unknow
Peak:m/z	Relative Intensity
54.97211	0.4
55.01849	0.4
55.47575	0.4
56.96548	0.8
60.04510	1.2
70.06578	1.5
71.41238	1.1
79.05483	1.5
81.07034	1.1
81.45834	0.5
84.08128	1.5
86.94707	0.4
91.05483	2.4
93.06983	0.4
94.04178	3.8
95.04956	0.8
95.08586	0.5
103.05471	1.3
104.44302	0.6
105.03362	0.8
105.07008	0.9
107.04968	0.9
109.06525	1.2
111.04424	1.0
115.05474	2.4
117.06957	0.8
119.04913	0.6
120.08056	0.6
121.06501	1.2
122.03633	8.5
123.04406	0.7
128.06177	0.6
131.04930	2.2
133.02856	0.8
133.06517	1.2
135.04372	0.7
137.05966	100.0
138.06303	3.6
139.03932	0.6
141.07005	0.5
141.62128	0.4
143.04933	1.0
147.04454	0.7
149.05983	1.2
151.03902	1.4
151.07570	0.6
153.05415	0.4
153.06996	0.7
155.04955	0.5
159.04398	1.0
160.05194	1.2
161.05960	4.2
162.06369	0.7
163.07480	1.2
165.05472	1.0
165.07001	1.9
169.06483	1.3
175.07573	3.8
177.05496	0.6
178.07770	1.2
179.07069	0.8
179.08534	2.8
181.06422	1.1
182.07243	1.2
183.06448	0.5
187.07613	0.8
189.06990	1.3
190.06110	0.5
191.07034	3.3
191.08455	0.7
193.06525	1.2
193.08591	1.0
195.07999	1.5
196.08780	0.7
199.07529	0.9
202.07863	0.5
203.07043	1.3
203.08640	0.6
205.06445	1.8
206.07123	0.6
207.08054	2.6
208.08698	0.4
209.05847	0.4
210.06758	2.0
211.07559	0.6
213.09047	0.7
218.07274	0.5
219.08005	1.4
221.06099	2.7
221.07961	0.8
222.06699	1.0
223.07449	0.8
224.08406	0.9
225.09091	1.8
231.07938	0.7
233.06050	1.2
234.06721	1.5
235.07539	1.7
237.09035	2.5
238.06194	1.4
239.06984	1.1
239.10692	1.3
249.09134	1.9
250.06326	0.6
251.07114	1.3
252.07655	0.8
253.08638	3.5
254.09180	0.5
261.03894	1.1
262.06171	0.7
263.06894	1.0
263.10706	0.5
265.08545	3.3
266.09219	1.0
267.06558	0.4
267.10132	2.7
277.08560	2.5
279.09979	0.7
281.11374	0.5
282.08804	0.6
283.09695	0.9
285.11169	3.8
286.11282	0.5
289.08530	0.5
291.10101	1.2
294.08847	1.7
295.09521	1.3
297.11221	2.7
299.12723	0.9
309.11224	4.1
317.07944	1.0
327.12180	1.2
328.24860	0.5
338.04379	0.5
345.07297	4.7
345.13345	3.2
346.07877	0.8
346.13406	0.5
346.25623	0.5
352.06079	0.7
364.06076	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.133
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96563	9.1
70.06576	14.1
71.75414	9.2
81.55597	4.6
84.08138	12.1
91.05453	22.6
109.06470	7.4
110.07195	5.1
111.74770	5.6
114.09211	5.9
121.06455	9.7
122.03645	11.2
123.08055	26.3
129.10219	5.1
131.04901	9.2
133.02858	7.0
133.06578	5.9
136.07460	6.2
137.05962	100.0
139.68335	5.1
146.03638	7.0
147.04385	94.9
147.05443	9.1
147.08031	9.1
149.06018	15.2
151.03922	8.6
151.07625	7.2
153.06952	12.9
160.05200	12.0
161.05966	59.9
164.07039	7.6
165.06989	12.1
169.95844	4.6
175.07565	36.4
177.09053	4.5
179.07011	38.2
179.08403	7.9
181.06508	20.8
182.07274	15.1
191.06969	9.1
193.06538	7.1
194.07350	9.9
195.07980	7.1
197.09500	9.8
198.60925	4.5
203.07019	51.5
209.05873	13.4
210.06779	24.4
213.09154	7.9
221.05974	13.9
222.06686	10.5
223.07462	10.1
225.09138	20.1
235.07375	6.5
237.05476	8.3
238.06215	10.3
241.08537	11.9
251.07251	9.7
253.08604	85.6
254.08986	6.8
258.08804	8.4
267.10074	9.5
269.08026	33.7
270.08768	31.9
272.10391	7.7
273.11163	21.7
284.10376	66.9
285.11191	61.2
295.09647	59.5
297.11740	5.7
309.11404	6.6
315.12308	26.9
327.12256	58.8
345.13321	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	345.133
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.5
53.75579	0.3
55.01862	0.7
55.05499	0.4
60.04517	2.3
65.03933	0.8
66.04712	0.3
67.05486	1.1
70.06589	2.2
71.04977	1.0
71.51053	0.6
71.84938	0.2
72.08142	0.6
79.05485	1.9
81.03392	0.6
81.07063	1.4
84.04490	0.6
84.08150	1.4
85.02886	0.4
85.06527	0.3
86.09701	1.2
91.05472	4.5
93.07004	0.6
94.04175	3.4
95.04958	1.0
95.08596	1.2
97.02905	0.4
97.91648	0.3
98.97558	0.4
103.05441	1.4
105.07014	0.9
107.04943	1.3
107.08555	0.3
109.02864	0.6
109.06513	1.3
109.10201	0.5
110.07133	0.4
111.04462	0.6
115.05447	1.6
116.07058	0.6
117.06996	0.3
119.04906	0.4
119.08583	1.2
120.08051	0.5
121.06509	1.0
121.10070	0.3
121.83718	0.3
122.03634	8.6
123.04433	0.7
123.08044	0.8
125.05992	0.7
125.77814	0.3
127.03910	0.3
129.10196	0.6
131.04868	1.5
131.08549	0.4
133.02841	0.5
135.04337	0.3
135.83392	0.3
137.05960	100.0
138.06287	2.9
140.32382	0.3
143.04909	1.8
146.03578	0.4
147.04393	0.7
147.08044	0.8
147.11607	0.3
149.05984	1.7
151.03885	1.3
151.07506	0.9
153.05496	0.4
154.07817	0.5
159.04396	0.9
160.05170	0.9
161.05952	3.5
161.07129	0.3
162.06581	0.4
163.07481	0.8
165.05684	0.3
165.06964	2.0
165.09109	0.6
167.07068	0.3
167.08536	0.6
170.99501	0.3
175.07529	3.7
176.04706	0.6
177.05414	0.6
178.07735	1.0
179.07138	0.4
179.08524	1.7
181.06451	0.7
182.07228	1.1
183.10161	0.6
188.04666	0.3
189.07022	0.6
190.06136	0.4
191.07036	4.0
193.06445	1.4
194.07249	1.0
195.07994	0.8
196.08897	0.4
197.05893	0.3
197.96034	0.3
199.07632	0.3
200.86871	0.3
203.06984	2.2
205.06483	1.4
206.07213	0.7
207.08130	1.8
208.08759	0.3
210.06685	1.6
211.07457	0.9
215.71237	0.3
217.06488	0.4
218.07251	0.5
219.13985	0.3
221.06030	2.9
221.08069	0.7
222.06723	1.1
223.07529	1.0
224.08214	1.4
225.09106	2.4
227.07039	0.8
233.05925	1.1
234.06670	1.5
235.07498	1.5
236.08287	0.4
237.09033	2.0
238.06200	1.1
239.10684	1.0
241.08656	0.5
244.44545	0.3
249.09122	1.4
250.06297	0.6
251.06949	1.2
252.07837	1.1
253.08575	3.1
255.06519	0.6
262.06406	0.5
263.06903	0.7
265.08566	3.4
266.09369	0.6
267.10095	3.1
269.07968	0.3
270.08829	0.6
273.11282	0.3
277.08542	2.5
279.06555	0.6
282.08786	0.6
285.11237	4.4
294.08844	1.9
295.09702	1.1
297.11160	2.3
299.12747	0.6
309.11258	3.5
313.10553	0.4
327.12256	1.1
327.23444	0.4
345.06085	1.6
345.13104	1.9
345.24902	1.8
346.06662	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1327
Annotation	Piperphilippinin I
Peak:m/z	Relative Intensity
62.90212	0.5
64.54925	0.6
68.80016	0.5
69.03440	0.7
70.06583	4.2
71.13457	1.4
72.08150	3.0
75.18134	0.5
79.05479	1.2
81.03412	1.0
81.07042	1.2
84.04475	1.4
84.08137	4.0
85.02895	0.8
86.03544	0.6
86.09698	2.0
91.05508	2.7
94.04181	4.2
105.07020	0.6
107.04929	0.6
109.02879	1.0
109.06476	0.9
111.04414	0.9
115.05466	1.1
115.08669	0.7
119.08585	0.5
120.08155	0.6
121.06487	1.5
122.03644	8.5
126.06620	0.6
129.10207	2.2
131.04880	1.0
132.04436	6.1
133.02852	0.8
134.05997	1.1
137.05963	100.0
138.06329	1.5
143.04884	1.5
146.03622	0.7
147.04463	1.4
148.87067	0.5
149.05972	1.9
151.06125	2.1
151.07411	1.2
152.06206	0.6
153.06921	0.7
159.04431	1.0
160.05135	0.8
161.05983	3.7
163.07500	0.6
165.05479	1.2
165.06949	1.0
165.09126	1.1
175.07582	3.1
176.04733	0.8
178.07727	1.0
179.08553	1.6
181.06406	0.8
189.06895	0.7
190.06244	0.6
191.06990	4.0
191.08595	0.8
193.06494	1.3
194.07030	1.0
195.08047	0.8
197.05968	0.7
202.09627	0.8
203.06963	1.5
205.06543	1.8
206.07227	1.1
207.08037	1.6
208.48665	0.6
210.06712	2.3
217.06598	0.5
221.05939	1.8
222.06732	1.6
223.07431	0.9
224.08447	0.5
225.09215	1.3
233.05969	1.2
234.06786	1.5
235.07542	1.3
237.09090	1.6
238.06221	1.2
241.62273	0.6
242.09239	1.1
249.09097	1.4
250.06323	1.0
251.07088	1.5
252.07689	0.8
253.08701	3.4
255.06497	0.6
257.10312	1.0
258.95370	0.6
259.11957	2.1
263.64114	0.6
265.08554	3.4
267.10150	2.1
270.08939	0.9
277.08585	2.7
285.11240	3.2
294.08749	1.4
297.11179	1.5
302.12567	3.1
309.03378	0.6
309.11111	3.2
310.11737	0.6
327.12213	1.7
345.13049	19.0
345.22079	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1303
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05014	1.3
65.34148	0.4
69.03428	0.4
69.43799	2.4
69.44232	1.6
70.06579	1.3
72.08150	0.8
79.05479	0.8
81.03401	0.9
83.06108	1.8
84.08111	1.1
85.02886	1.0
86.03553	1.9
86.09691	0.5
91.05460	0.7
95.04960	0.6
95.06075	1.5
96.04474	0.6
98.21450	1.0
98.97616	0.4
100.11056	0.4
104.04970	1.1
105.00502	0.3
105.03384	0.9
105.05790	1.0
105.07036	0.4
106.06529	1.0
109.02898	0.4
109.10120	0.6
111.05556	4.8
113.07129	0.4
115.05405	0.5
116.07141	0.7
117.05731	0.5
119.04888	0.7
120.04471	3.3
122.03674	0.6
122.07132	0.4
123.05533	1.0
124.05121	0.6
125.05894	0.8
126.06646	2.6
127.04986	0.4
129.10191	0.7
130.06525	0.5
132.04439	27.4
132.08037	1.0
133.05182	0.4
133.70114	0.4
134.05994	5.7
137.04677	2.6
137.05952	5.0
137.09590	1.4
138.02962	0.4
138.09206	0.4
140.08151	0.6
142.08614	0.8
146.02354	0.7
147.04370	1.9
148.04703	1.6
150.05487	3.5
151.06129	12.0
151.07353	0.8
157.64653	0.4
158.05969	0.7
165.05473	1.1
165.07736	0.6
165.09041	0.7
166.05899	0.8
166.07239	0.6
166.08594	0.8
169.94667	0.4
173.06960	0.4
176.07138	0.5
177.04071	0.9
183.06305	0.9
187.08693	1.0
194.06723	5.4
194.87825	0.3
195.07483	0.8
202.09781	2.0
203.08138	1.7
206.07022	0.4
227.09258	0.5
230.09273	1.9
231.07683	1.7
232.10739	2.1
242.09209	5.6
257.10330	6.4
258.08740	0.7
259.11874	10.4
260.12152	0.7
274.12842	0.6
277.12885	0.6
284.11414	4.3
301.14044	1.0
302.12433	18.1
303.12787	0.9
310.16495	0.8
327.11887	3.0
345.13016	100.0
346.13281	6.8
358.53369	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1316
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53644	0.7
55.01879	1.0
56.05038	1.0
66.04679	0.6
69.03426	0.8
70.06581	4.5
71.14396	1.6
72.08151	4.3
73.50638	0.7
76.57068	0.7
79.05490	1.8
81.03417	1.5
81.07057	1.8
84.04489	1.6
84.08144	3.8
84.08574	0.6
86.03559	1.0
86.09705	2.1
88.03989	0.7
91.05477	2.9
94.04185	4.1
95.04961	1.9
96.04423	0.8
103.05455	1.3
107.04921	1.1
109.02867	1.3
109.06496	1.3
111.05566	1.4
115.05425	1.1
119.04951	1.0
120.04489	1.1
121.06503	1.9
122.03635	10.0
125.05940	1.6
126.06642	1.0
129.10251	1.8
131.04939	2.2
132.04454	9.7
132.05502	1.1
133.02870	0.8
134.06030	2.1
137.05971	100.0
138.06354	1.8
143.04985	1.2
149.05977	1.8
150.05496	1.1
151.03899	1.6
151.06117	4.9
153.05519	0.8
159.04410	1.0
160.05237	1.2
161.06033	3.6
165.05515	1.1
165.06975	1.5
165.09100	1.1
175.07526	3.7
177.05502	0.7
178.07750	1.3
179.08545	2.1
191.07013	3.8
191.08508	0.7
193.06502	1.6
194.06917	2.2
195.07880	1.0
205.06473	1.2
206.07289	0.8
207.08075	1.3
210.06729	2.4
221.05988	2.6
221.08084	1.0
222.06705	1.3
224.08286	1.3
225.09129	1.9
231.07542	0.8
234.06699	2.1
235.07578	1.1
237.09161	1.7
238.06325	1.1
239.07069	0.7
242.09213	1.9
249.09065	1.0
252.07925	0.9
253.08591	3.2
257.10324	1.5
259.11859	4.0
265.08478	4.1
266.09366	0.8
267.10159	3.9
276.50348	0.7
277.08560	2.6
284.11349	1.8
285.11371	3.8
294.08908	1.8
295.09494	1.3
297.11258	2.4
299.12665	1.1
302.12430	6.8
309.11133	4.1
327.12125	1.6
345.13031	38.2
345.22079	1.3
346.13309	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	345.1154
Annotation	Clotrimazole
Peak:m/z	Relative Intensity
53.03926	2.9
55.01842	0.8
55.05490	2.9
56.05022	1.9
56.96566	0.8
57.03408	2.1
60.04228	1.6
60.04519	24.9
61.04228	1.0
61.04839	2.5
65.03927	0.9
67.05495	11.6
68.05004	1.0
69.03413	3.2
69.07053	1.5
69.68781	6.2
70.06585	9.4
71.04976	2.7
72.04486	1.5
72.08146	12.0
72.89099	0.8
73.08475	0.8
74.06057	1.6
75.05592	0.9
79.05465	2.7
80.05815	1.1
81.03410	17.2
81.07050	7.2
82.06530	0.8
84.04487	2.6
84.08138	5.4
85.02904	6.5
85.06519	0.9
86.09693	11.3
88.30956	0.8
91.05465	8.8
92.05817	1.3
93.07021	3.4
94.06548	0.7
95.04947	3.0
95.08613	4.1
97.02871	2.0
97.06509	1.1
99.04425	5.2
101.00879	0.7
102.05506	1.1
103.05431	1.4
105.03368	2.0
105.07030	1.3
107.04944	1.6
107.08583	1.4
109.02155	1.4
109.02863	16.1
109.06493	1.8
109.10146	23.4
110.07166	1.5
113.06018	0.9
116.07079	1.1
116.98500	0.9
117.06997	1.0
118.07332	0.8
119.01887	2.8
119.08562	3.2
120.08088	2.4
120.08905	0.9
120.63328	0.8
121.06481	0.8
121.10107	1.2
122.03653	1.6
125.05970	1.6
127.03908	2.9
129.10249	5.4
130.06493	3.3
131.04892	1.0
132.08954	0.8
136.07526	1.1
136.88371	0.8
137.05960	15.9
137.09595	44.0
143.11752	0.9
145.04973	1.5
148.07527	1.0
149.05873	0.9
151.03954	1.7
155.10635	4.9
156.07716	1.0
161.22166	0.7
165.09109	29.0
167.03262	0.7
167.07008	1.1
167.08357	0.7
171.08034	0.8
173.02945	0.8
175.11827	0.9
183.10120	3.5
183.11549	1.0
185.04236	1.0
186.12303	1.2
195.08092	0.9
201.11214	2.8
209.09483	1.0
227.05272	1.9
253.08295	0.8
255.13811	1.7
259.11520	3.3
271.04233	2.2
277.11340	1.3
281.11823	0.9
291.21280	0.9
299.12753	2.2
301.12527	18.2
308.21960	1.1
309.13574	1.5
309.22412	1.9
326.23206	2.1
327.14258	5.8
327.23557	10.9
344.24115	1.2
345.06424	4.4
345.11496	100.0
345.25131	6.7
346.11890	3.1
346.25638	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1091
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20035	12.0
60.05596	12.0
70.06586	100.0
70.59666	12.4
70.60001	47.4
72.08144	37.6
84.08141	15.4
90.33913	13.2
98.20727	15.0
98.97550	17.8
101.00884	11.6
112.89580	20.7
116.98673	16.7
129.10213	20.5
136.07545	14.5
140.36250	12.3
174.76692	14.8
183.06314	14.8
184.05762	51.3
187.00287	20.8
187.99989	16.8
191.98225	44.4
344.99957	25.4
345.07791	47.6
345.11655	82.2
345.15448	19.0
345.22070	18.9
346.11194	97.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1098
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75615	7.7
55.01865	11.4
56.96547	17.8
57.03431	9.5
61.49103	9.9
68.85931	8.6
69.03408	43.3
70.06587	54.1
72.08122	15.2
74.47102	8.9
77.00847	12.4
81.03386	13.6
84.08117	12.3
85.02909	49.9
86.09691	13.6
87.89400	9.6
89.30182	9.2
97.02884	22.5
101.00853	17.2
105.69595	9.3
107.00054	9.1
110.47507	9.8
115.02457	11.4
116.07098	20.2
119.01907	100.0
125.44828	8.2
127.03935	16.2
129.61957	10.2
131.01906	18.5
132.04451	11.9
133.03488	23.6
134.55214	9.7
137.02936	12.1
143.01895	16.3
144.99802	39.8
145.03442	14.2
145.04930	11.6
147.04318	12.3
155.01831	12.2
161.02921	33.3
171.01378	22.0
172.99287	28.6
173.02904	35.4
175.00893	33.1
177.02383	14.2
184.05800	33.5
187.00864	52.6
189.02423	14.4
191.00356	33.8
193.01944	13.8
199.00835	17.1
203.04048	15.2
205.01913	13.4
214.05576	10.2
215.00323	41.7
217.01891	11.4
223.00851	12.2
223.02950	11.8
223.07561	10.1
225.02321	13.5
229.02060	10.0
239.57010	9.6
241.01859	13.7
242.99919	10.9
244.99693	10.0
245.05081	22.4
275.02478	11.5
303.02002	13.1
327.06924	18.9
345.08072	16.2
345.12811	38.3
345.22351	16.5
346.11218	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	344.2793
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78944	1.7
55.05497	6.4
56.05024	2.0
57.07059	3.5
66.74312	1.4
67.05504	7.2
69.03426	2.7
69.07075	2.7
70.14557	5.7
71.08615	3.0
74.06068	4.3
79.05486	7.7
81.07036	7.0
83.01343	4.7
83.04964	2.9
83.08607	2.5
88.07624	14.2
91.05453	7.7
92.78815	1.4
93.07034	10.9
95.04940	2.1
95.08601	5.9
97.06496	1.9
105.07005	5.3
106.04983	1.7
107.08587	9.2
109.10105	1.8
111.08042	1.6
111.65808	1.4
117.06993	2.7
119.08604	3.5
121.06509	4.5
121.10135	3.2
123.11678	2.5
131.08575	3.9
133.10120	2.7
135.08047	5.9
135.11659	12.9
139.11139	2.2
149.09602	5.4
150.29355	1.5
151.11168	1.8
159.08038	6.6
162.06773	4.7
163.07536	8.4
165.12740	1.6
175.08261	1.5
177.09091	18.3
187.07498	4.6
205.08601	76.2
223.09645	100.0
254.38969	1.6
277.21582	5.8
298.31046	2.7
309.24081	2.7
311.11475	1.5
327.19547	2.1
344.31622	16.5
344.35324	3.7
345.20590	10.3
347.70776	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.2791
Annotation	Lauroylcarnitine
Peak:m/z	Relative Intensity
53.47253	1.3
55.05502	4.1
57.07064	11.9
60.04517	58.4
62.97507	1.0
66.25302	1.2
67.05505	2.7
69.07044	2.5
69.89771	7.8
71.08629	6.5
81.07028	4.1
83.08603	3.2
85.10172	4.3
85.54724	1.2
88.03984	15.9
95.08615	6.6
106.05009	100.0
109.10134	3.1
123.11611	1.3
153.75221	1.3
154.60526	1.2
196.07503	1.2
196.61270	1.3
239.23880	1.6
247.99995	1.3
326.26660	1.5
344.38239	2.4
360.99515	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.2792
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	18.4
57.07048	13.1
60.04226	6.2
60.04515	100.0
60.40109	4.7
64.70603	4.5
67.05500	27.7
69.07049	23.8
70.96125	6.0
71.08620	6.6
71.75829	8.0
79.05479	21.8
80.73691	4.9
81.03380	6.9
81.07046	34.8
82.06560	6.2
83.08588	17.4
85.02877	5.2
86.06062	5.9
88.03967	9.1
91.05461	31.1
93.07025	19.0
95.04971	5.9
95.08575	29.0
96.08104	6.6
98.06049	5.9
105.07013	21.2
107.08578	12.3
109.10128	9.1
111.85050	4.9
119.08550	18.0
121.10114	12.2
133.10124	9.7
134.55501	4.5
147.11649	7.2
148.74013	5.6
219.21066	7.0
245.22620	16.1
262.25229	6.7
263.23782	26.8
280.26279	27.8
290.24875	9.3
298.27316	12.2
308.25833	11.9
326.14618	4.6
326.26797	38.8
344.31619	12.7
344.35193	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	344.243
Annotation	Broussonetine V
Peak:m/z	Relative Intensity
53.03943	1.1
55.01871	0.7
55.05515	2.0
56.05027	3.0
57.03435	5.8
58.61311	0.4
60.04520	100.0
61.04867	0.6
64.27788	0.4
65.03947	0.7
66.37397	0.4
67.05504	6.4
67.05845	0.7
68.05009	1.0
69.03413	0.9
69.07063	3.2
70.06577	4.2
71.05002	0.8
71.52137	1.2
72.04505	4.0
72.08152	5.1
74.06072	1.7
79.05482	6.6
80.05019	2.0
81.03419	2.0
81.07053	5.2
82.06583	1.5
83.04987	1.3
83.08620	0.8
84.04498	2.2
84.08145	2.7
85.02903	0.7
85.06557	1.7
86.09695	3.8
90.05548	1.2
91.05473	11.3
92.05875	0.6
93.07030	5.4
94.06571	1.7
95.04977	2.6
95.08591	2.9
96.08093	0.8
97.06544	1.7
98.06049	1.3
99.08092	1.4
102.05562	1.5
105.07034	6.6
107.04926	1.2
107.08561	2.6
108.08141	0.6
109.02891	0.9
109.06514	1.9
109.10149	2.7
110.06102	0.6
110.07169	1.0
110.60336	0.5
111.08116	1.3
112.07609	1.1
113.06001	0.8
115.05473	0.6
115.07581	1.4
116.07099	2.0
117.07014	4.6
119.08578	7.5
120.08119	1.9
121.06497	1.0
121.10147	0.6
123.08055	1.0
124.07614	0.6
129.07024	2.8
129.10239	1.6
131.08569	4.9
132.08099	0.6
133.06453	0.5
133.10121	3.7
135.08069	0.6
136.07574	0.5
137.05977	4.0
137.09628	2.9
138.06302	0.7
141.07028	0.8
143.08557	2.2
143.11780	0.9
145.10133	4.0
147.08055	1.1
147.11664	2.0
149.09639	0.7
151.11147	0.7
152.10661	0.7
155.08568	1.3
157.10132	1.6
159.11703	3.3
161.05942	0.7
165.09146	1.1
168.09207	0.5
169.10089	0.6
171.11617	2.4
173.13277	1.4
183.11751	1.5
187.14851	0.7
196.13481	0.5
199.14775	0.7
201.12750	0.8
201.16339	0.8
213.16339	0.7
214.14345	1.5
232.34663	0.5
249.18343	0.7
260.20154	0.6
266.09058	0.5
269.63388	0.5
272.20157	1.5
290.21127	3.6
299.68665	0.5
302.91418	0.5
308.09763	0.5
308.22171	9.7
326.11243	1.1
326.23239	58.5
327.23569	2.1
344.24289	34.6
345.24615	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.243
Annotation	Unknow
Peak:m/z	Relative Intensity
64.34861	16.9
69.07037	31.2
70.06586	34.9
71.74877	23.9
79.05450	28.7
80.72563	17.7
81.03424	19.0
81.07022	33.6
82.31686	16.0
89.98563	15.3
91.05470	26.6
92.24271	16.6
93.07021	31.5
95.08605	25.4
97.06519	100.0
109.06558	15.8
115.07507	22.0
118.77301	15.5
123.18254	15.1
123.66882	16.2
126.74478	15.9
136.07622	18.6
137.05960	30.3
232.09369	16.0
280.56900	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	344.2429
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04464	5.3
53.13279	5.7
55.01855	7.5
55.05493	24.3
57.03410	9.8
59.55033	5.7
67.05495	61.6
69.07059	54.4
69.18122	5.5
69.43808	6.6
69.44144	67.1
70.06576	7.3
71.04965	10.5
72.93060	5.7
79.05482	35.8
81.06610	7.6
81.07047	100.0
83.04946	11.9
83.08616	9.2
85.06529	9.9
91.05467	31.8
93.07035	45.1
95.04943	26.9
95.08615	45.5
97.06508	20.0
97.10149	7.5
99.08098	15.0
99.56963	6.2
105.07047	30.7
107.04928	10.8
107.08566	22.0
109.06517	15.0
109.10133	14.5
111.04427	6.7
111.08053	7.7
117.06965	10.1
119.04950	7.5
119.08572	15.7
121.10123	19.7
123.08033	8.4
131.08565	9.4
133.10106	17.7
135.11674	27.2
145.10136	11.6
147.04327	10.0
147.08031	7.2
147.11621	9.5
149.09625	8.6
151.11127	9.1
155.08612	6.5
157.10106	12.5
159.11700	6.4
163.11090	10.3
165.12737	7.0
181.12169	11.4
187.13216	6.6
243.37712	6.6
245.18982	7.9
263.20102	11.7
267.67358	6.5
273.18427	16.9
291.19473	38.3
309.20602	10.9
344.25952	11.2
344.31378	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	344.2219
Annotation	Polysignine
Peak:m/z	Relative Intensity
52.21462	0.4
55.05375	1.0
55.05630	1.0
57.17995	0.5
59.75740	0.5
60.12756	0.5
65.10938	0.5
67.05342	1.4
67.05711	1.1
69.00913	0.5
69.06926	1.0
69.07249	1.1
69.94007	3.1
70.06452	1.0
70.06775	0.8
79.05296	4.7
79.05801	1.6
80.04871	0.9
80.05278	0.7
81.06855	2.6
81.07366	1.0
83.08495	0.6
84.07976	0.7
89.03282	0.5
91.05272	6.0
91.05887	1.2
92.05619	1.4
92.06152	0.7
93.06832	4.1
95.04794	0.9
95.08401	1.8
95.08994	1.1
96.07957	0.5
97.42664	0.5
103.05250	9.1
103.05993	1.7
103.79238	0.5
105.06816	3.3
107.04737	5.2
107.08374	1.6
108.07895	12.4
108.08711	2.1
109.06262	0.5
109.08771	0.8
109.09985	1.1
109.10651	0.5
110.09539	1.1
112.11020	0.5
117.06822	0.7
119.08362	1.6
120.07886	2.8
121.06345	0.6
121.09941	0.9
122.09437	8.9
122.10413	1.1
123.10220	1.6
123.11518	0.9
129.06848	0.7
130.06285	2.7
131.04694	4.8
131.08368	0.7
132.07861	2.4
132.08748	0.9
133.09927	0.7
134.09447	0.9
135.11456	2.1
136.10973	3.4
137.05820	1.1
137.13068	0.8
145.09964	0.5
148.11029	0.6
150.12553	23.5
150.13893	1.8
151.13321	7.6
152.10545	0.7
152.14104	3.6
161.13225	0.7
166.08490	0.9
173.09492	0.5
174.05696	0.5
180.10167	5.7
200.14204	1.3
212.14215	1.0
226.15739	1.0
227.11093	0.7
228.09932	1.3
246.11127	0.9
246.14729	1.3
254.19044	3.2
258.14911	0.5
267.76187	0.5
270.14822	2.8
298.17938	1.5
300.19547	100.0
301.19858	4.0
302.21161	3.2
313.10941	0.7
326.18857	1.6
344.22263	57.1
345.13562	1.2
345.22519	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	344.2064
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.4
55.01848	1.1
55.05510	4.6
56.05032	0.7
57.03440	2.5
57.07048	1.4
58.06593	0.5
59.04996	0.7
60.04263	0.5
60.04520	5.8
65.03925	0.8
67.05500	8.3
68.05019	3.2
69.03413	2.0
69.05810	2.8
69.07063	8.8
70.06585	14.4
71.04990	5.5
71.74873	1.0
72.08130	2.0
73.02893	0.9
79.05480	3.6
80.04999	1.2
81.03413	9.3
81.07050	7.6
82.06569	2.2
83.04985	1.5
83.07354	3.7
83.08610	4.8
84.04489	2.1
84.08128	6.7
85.02917	2.7
85.06537	0.5
86.09708	2.7
87.04453	0.6
88.74412	0.5
89.06004	0.7
90.23161	0.5
91.05470	3.0
93.07040	3.5
94.06562	0.5
95.04988	2.9
95.08602	5.0
96.08098	0.6
97.02865	1.4
97.06489	2.0
97.10175	1.1
99.04430	4.7
101.06004	0.9
105.07015	2.0
107.04984	0.9
107.08598	2.9
109.02871	5.9
109.06454	1.0
109.10154	10.5
110.06013	0.6
111.08038	0.8
112.07594	5.2
114.05508	3.0
115.05461	0.7
116.07082	7.8
119.08562	3.0
120.08073	0.7
121.10121	1.5
121.46054	0.5
123.08046	0.7
123.11709	2.6
125.05964	1.6
125.09623	1.3
126.05467	0.7
126.09151	0.8
127.03898	1.6
127.11216	2.6
128.07091	0.7
129.07018	0.7
129.10185	1.4
130.04982	1.3
130.08556	0.7
137.02304	1.3
137.05948	2.6
137.09601	18.5
139.11139	0.6
139.71785	0.5
142.08636	2.4
143.99338	0.5
145.04932	0.8
145.10127	0.8
147.04425	0.5
147.11647	2.0
149.05937	1.1
152.05292	0.8
153.12724	4.4
155.10593	1.2
157.10129	0.8
158.08133	8.2
161.13092	0.8
163.11137	1.7
164.07018	0.7
164.11475	1.7
165.09096	12.6
165.12808	0.9
170.11714	0.7
174.07607	1.4
181.12238	0.6
183.10162	1.9
183.13777	0.8
193.12154	1.0
195.13852	0.7
196.13342	1.8
198.05856	2.2
198.11314	0.7
201.11200	1.7
211.13342	1.7
211.16714	0.6
212.12787	1.0
213.14873	1.1
226.17941	1.3
236.16438	6.6
238.18004	2.0
254.17491	100.0
255.17812	4.2
255.71603	0.6
268.19113	5.5
280.19086	1.3
282.16998	1.8
298.16373	0.6
298.20013	1.6
299.05573	0.7
300.18030	42.8
301.18344	1.9
312.21692	1.7
326.12384	0.5
326.16068	1.1
326.19565	11.5
326.23245	3.4
327.14441	3.1
340.16620	0.5
344.13394	0.7
344.20636	5.0
344.24252	4.4
345.06024	4.0
345.15121	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.1339
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20474	0.8
53.03930	0.9
54.20914	0.6
55.01855	0.7
55.05507	1.6
56.05015	2.8
57.03424	0.8
60.04517	6.1
60.05632	0.7
61.01139	1.0
61.02900	1.7
62.27493	0.7
67.05492	1.9
68.42886	0.7
69.03423	4.9
69.07048	2.2
70.06210	1.3
70.06585	24.2
71.03361	1.5
71.04990	0.9
71.06907	1.7
72.07820	0.9
72.08154	11.6
74.06059	1.5
79.05485	1.4
81.03407	4.1
83.06094	0.9
84.04494	4.5
84.08138	12.4
85.02902	17.6
85.08456	0.9
86.09705	17.6
87.04439	1.1
87.05570	1.8
87.10030	0.9
88.03985	1.7
91.03922	0.9
91.05466	7.8
95.04935	0.9
95.08620	0.9
97.02898	4.7
99.04426	1.3
101.07145	0.8
102.05511	1.5
103.05399	1.1
104.05293	1.1
108.08073	1.2
109.02864	3.3
109.10134	1.6
110.07139	3.1
115.08675	0.8
116.07088	12.8
116.26790	0.7
119.04931	18.9
120.08102	2.5
121.06520	1.0
123.04401	2.8
127.03909	4.1
129.10228	8.6
130.05031	0.9
130.08661	1.3
134.99565	1.0
135.08116	1.0
136.07553	1.2
137.05978	4.8
137.09608	3.6
143.11783	1.1
145.05000	3.7
147.04395	100.0
147.11433	1.0
148.04749	3.0
156.04666	1.0
163.05894	1.2
165.05469	47.2
165.09122	1.5
166.05881	1.4
172.11523	1.5
175.07565	1.0
180.08682	1.0
182.08070	1.7
201.12437	4.3
217.13721	1.4
229.11546	0.7
240.13379	0.9
290.05832	0.8
327.14294	1.0
327.20285	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.2066
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	1.1
56.05035	0.3
57.03443	0.2
60.04534	0.6
67.05506	1.5
68.05025	0.3
69.03419	0.4
69.07074	1.5
69.73501	1.3
70.06584	6.2
71.04967	0.5
71.06928	0.3
72.04504	0.2
72.08150	3.1
75.09924	0.2
79.05490	0.6
81.03406	2.2
81.07054	1.2
83.08612	0.5
84.04499	0.5
84.08134	30.5
85.02910	0.6
85.08459	0.4
86.06061	0.6
86.09695	4.8
88.35721	0.2
91.05486	1.4
93.07031	0.8
95.04954	0.4
95.08598	2.2
97.06541	0.3
97.10140	0.2
98.06055	0.3
99.04449	1.1
105.03391	0.6
105.07043	0.3
107.08572	0.4
108.08067	0.3
109.02863	1.5
109.10148	1.3
110.05991	0.2
112.07594	65.5
113.07918	1.0
114.05546	0.3
116.07091	1.6
116.10755	0.2
119.04965	0.3
119.08561	1.1
121.02843	0.2
121.10185	0.3
123.08017	0.3
123.11752	0.3
125.06928	0.2
130.04915	0.3
130.08636	5.1
135.07976	0.2
137.05940	0.3
137.09576	2.1
138.09085	0.2
140.07065	0.3
142.08615	0.2
153.12708	0.4
155.10657	0.6
156.10185	0.3
158.08115	100.0
159.08453	2.7
165.09111	1.5
183.10156	0.3
185.16486	2.5
190.04984	0.3
191.05251	0.2
193.12111	0.2
201.11086	0.4
205.04805	0.4
211.13326	0.5
212.12817	0.6
213.15883	1.0
215.03366	0.4
230.13863	0.8
231.17113	0.2
238.18074	0.2
245.18469	0.4
252.15909	0.7
268.19037	0.2
287.07114	0.2
298.19952	0.5
309.13248	0.3
317.08063	1.4
326.19504	0.7
326.23175	0.4
327.14447	0.5
344.16772	0.3
344.20642	4.5
344.24591	0.3
345.07602	3.5
345.15002	0.2
345.21191	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2266
Annotation	Sargachromanol A
Peak:m/z	Relative Intensity
51.71825	0.8
55.05493	2.4
57.07066	0.9
67.05484	4.8
69.07053	0.8
70.29630	2.2
70.30035	2.3
71.04974	1.4
75.65297	0.8
79.05478	2.4
81.07049	7.1
83.08599	0.9
85.06522	0.9
91.05471	2.6
93.07037	7.8
95.04974	1.1
95.08599	9.7
99.08097	1.1
105.07035	8.7
107.08591	3.4
109.06534	1.1
109.10149	3.3
111.04432	2.1
117.06921	1.0
119.08590	5.6
121.06580	1.0
121.10134	4.2
123.08047	10.0
131.08557	1.4
133.10124	1.2
135.08046	3.6
135.11636	2.2
136.02679	1.0
137.05946	1.0
137.09587	3.3
141.28035	0.9
143.08566	1.3
145.10117	2.9
147.11679	2.6
149.09642	2.1
151.07529	100.0
152.07825	4.1
159.11626	1.3
161.13255	3.8
163.07506	1.1
163.11128	2.7
165.09096	1.5
173.09619	2.8
175.07497	1.6
175.11223	1.3
175.14835	1.0
176.08284	1.3
177.09096	5.2
187.14810	2.1
188.08281	1.0
189.09090	4.0
190.09853	1.0
191.10648	31.6
192.11034	1.1
203.10706	4.3
205.12251	3.9
205.15906	1.9
215.10596	1.1
217.12222	2.6
229.12184	1.1
240.23212	1.2
243.13617	1.2
285.18439	3.2
320.21429	3.4
325.21558	4.0
338.22473	2.7
343.22565	8.0
343.26245	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.1337
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83476	0.5
57.03421	1.3
61.02911	1.6
69.03416	3.3
69.40763	4.4
69.41190	1.6
70.06567	0.9
81.03400	2.2
85.02898	15.8
89.10125	0.6
91.03952	0.8
91.05478	4.8
95.04931	0.7
97.02886	3.1
99.04456	0.9
109.02857	1.2
109.10146	1.0
119.04931	17.7
120.05287	0.8
123.04410	1.9
127.03887	3.0
137.09613	2.1
144.16920	0.6
145.04956	4.1
147.04396	100.0
148.04738	2.5
165.05467	52.7
165.09148	1.3
166.05774	1.1
180.08688	2.0
211.60646	0.6
244.76642	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2264
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
53.03930	6.6
55.01842	8.4
55.05502	22.2
57.03416	9.3
57.07051	8.3
59.04983	6.1
65.03931	3.6
67.05175	3.7
67.05496	36.6
69.03406	12.1
69.07042	10.2
70.93278	9.2
71.04988	26.7
79.05486	37.8
80.13286	2.4
81.06615	2.9
81.07051	42.7
83.04965	9.4
83.08572	2.8
84.13696	2.9
85.06512	4.1
89.72015	2.5
91.05466	32.3
92.02083	2.7
93.07036	80.8
95.04960	68.9
95.08596	99.1
97.06515	19.7
102.02916	2.7
105.06334	5.8
105.07018	92.4
107.04929	6.9
107.08575	53.6
109.06496	17.8
109.10107	4.3
115.05431	5.6
117.07008	35.7
119.08572	31.3
121.06508	21.4
121.10123	19.4
123.08067	33.3
123.11647	3.4
125.05901	3.9
128.06190	5.9
129.06973	10.9
130.07814	18.3
131.08542	9.4
133.06488	6.2
133.10115	19.5
135.08064	33.3
135.11685	19.3
137.05956	4.2
137.09566	6.1
142.07806	4.1
143.08568	14.7
143.99315	2.9
144.09299	3.9
145.10110	100.0
147.08028	17.1
147.11688	6.8
149.09555	4.8
151.07533	62.6
153.09067	3.7
157.10115	10.3
159.07988	5.1
159.11659	11.6
161.09605	11.8
161.13278	5.4
163.11163	69.9
165.09052	18.5
168.91829	3.4
169.10109	7.0
171.08107	3.4
171.11633	8.9
173.09607	7.5
173.13254	5.6
175.11090	5.8
177.09084	7.0
179.06946	4.5
181.10049	3.9
181.12173	5.3
183.11722	4.9
187.11139	7.7
189.09029	3.5
189.12714	14.3
191.10606	4.4
195.11716	4.0
197.13191	8.0
203.14282	13.5
207.13741	9.5
209.15263	5.9
215.14293	3.9
217.12294	3.6
221.15341	38.4
233.15388	6.4
240.23297	4.5
263.16418	7.5
269.15460	3.2
275.15884	3.1
286.19360	6.9
324.61887	3.4
325.21561	19.9
334.49121	3.0
343.22623	94.9
343.26764	5.2
344.23126	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2266
Annotation	Sargachromanol A
Peak:m/z	Relative Intensity
55.05500	2.2
56.51651	0.7
60.66592	0.6
67.05501	5.4
69.07050	1.5
69.57298	1.5
69.57693	5.5
71.04980	1.8
76.76999	0.6
79.05468	2.3
81.07051	6.5
83.04964	0.8
91.05495	3.5
93.07039	6.5
95.04938	2.0
95.08596	10.8
96.08990	0.7
97.06513	1.1
99.08098	0.9
105.07021	9.0
107.08588	4.2
108.05721	0.9
109.06509	1.8
109.10130	3.9
111.04412	1.6
111.08080	1.6
117.07030	1.1
119.08566	4.2
121.06505	0.8
121.10135	4.2
123.08052	10.7
129.06920	0.9
131.08580	1.5
133.06453	1.1
133.10100	1.8
135.08058	3.9
135.11697	2.3
137.05983	0.9
137.09608	3.3
143.08508	0.8
145.10089	3.9
147.11679	2.6
149.09604	1.5
151.07526	100.0
152.07877	3.6
157.41779	0.7
159.08101	0.7
159.11694	1.6
161.09615	0.8
161.13264	4.4
163.07512	1.2
163.11159	4.0
165.09117	2.1
171.11639	1.3
173.09619	2.0
175.07570	1.7
175.11151	1.2
175.14792	1.2
176.08327	2.4
177.09111	5.8
179.14420	0.9
187.14818	1.3
189.09042	3.8
190.09628	0.9
191.10648	31.8
192.10956	1.4
201.09201	0.9
203.10641	4.6
205.12256	3.8
205.15941	2.1
215.10680	1.8
217.12257	2.9
221.15297	1.0
231.13835	0.7
240.23160	1.3
243.13887	0.7
284.15054	0.7
285.18430	2.6
325.15411	0.7
325.21527	3.6
343.22601	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2265
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
53.03919	7.1
55.01857	6.6
55.05510	18.5
57.03424	10.8
57.07060	11.4
62.53661	3.5
65.03943	4.2
67.05507	39.6
69.03414	11.3
69.07044	13.2
70.14811	18.9
71.04993	26.7
71.87910	3.5
72.08147	3.4
79.05475	37.5
81.03397	9.5
81.07048	40.4
83.04972	5.2
85.06500	5.0
89.99963	3.6
91.05465	50.7
93.07040	78.5
95.04955	62.5
95.08595	100.0
97.06532	19.2
105.07016	90.4
107.04937	7.0
107.07895	6.1
107.08578	57.5
108.05750	4.8
109.06520	18.3
109.10139	11.0
115.05453	8.0
117.07005	28.8
119.08572	28.2
121.06481	18.6
121.10149	23.9
123.08082	32.7
123.11724	6.1
129.06938	8.3
130.07811	18.0
131.08566	19.6
133.06497	8.9
133.10124	23.7
133.87979	3.5
135.08035	24.8
135.11650	20.6
137.05968	6.3
137.09584	7.0
143.08531	14.1
145.10117	91.4
147.08012	18.3
147.11647	4.8
149.09534	6.3
151.03804	3.8
151.07520	47.9
156.09354	5.2
157.10109	11.5
159.07849	4.6
159.11656	10.9
161.09589	13.5
161.13223	5.0
163.07532	3.7
163.11177	63.4
165.05440	12.7
165.09084	21.8
169.10123	4.8
170.10861	4.3
171.11667	8.8
173.13223	7.9
175.11221	7.3
177.09016	5.4
179.07036	5.9
181.09972	3.5
183.11655	7.5
187.11142	6.8
187.14763	3.9
189.12698	10.9
191.10521	3.6
193.10327	4.4
193.12228	9.8
195.11739	4.0
197.13216	4.8
203.14227	8.8
207.13763	7.4
213.12756	5.1
221.11667	9.0
221.15274	28.0
239.17679	5.0
240.23105	4.5
259.17087	4.6
263.16455	6.9
269.15424	4.7
286.19333	7.5
287.16467	8.2
287.19833	3.7
325.21600	9.3
343.22610	80.0
343.26370	16.5
344.23071	8.1
350.73618	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1749
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	1.1
55.05498	2.5
59.40572	0.5
63.82830	0.5
65.03922	0.7
67.05504	3.3
69.03410	2.2
69.07079	2.6
69.75838	4.0
70.06593	1.1
71.04985	1.0
72.08116	0.8
79.05487	15.4
81.03400	1.6
81.07066	3.8
83.04955	1.3
83.08613	0.9
84.04506	1.0
84.08134	1.0
85.02882	2.0
85.06565	0.8
86.09682	0.9
91.05467	6.7
93.07038	13.9
95.04949	2.3
95.08597	3.5
97.02823	0.7
97.06526	0.6
97.10157	0.6
99.04466	1.0
103.46516	0.5
105.07011	6.3
107.08582	100.0
108.08902	1.9
109.02863	1.2
109.06505	2.2
109.10133	1.6
111.08049	1.0
115.05404	0.6
117.07018	1.0
119.08555	1.9
121.06516	0.6
121.10113	2.2
123.11696	1.0
127.03924	1.1
131.08574	0.6
131.56432	0.5
133.10098	2.0
134.09567	0.4
135.08066	1.7
135.11678	37.0
136.12025	0.7
137.05960	1.7
143.08566	1.0
145.10121	4.3
147.11723	0.9
149.13260	0.5
155.08586	0.7
159.07953	0.6
159.11700	1.0
161.05995	0.6
163.11166	31.4
164.11510	0.6
173.13239	0.9
181.12198	2.8
189.12778	0.7
265.08542	0.7
282.08975	0.7
293.08170	0.8
311.09167	0.7
343.11719	2.3
343.18378	0.6
343.22592	1.1
343.26224	1.2
368.49802	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1537
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78250	0.9
55.01874	1.1
56.96585	0.9
70.06580	4.4
71.32874	2.5
79.05482	1.1
80.81406	1.1
81.07043	1.6
84.08131	2.7
86.09713	1.2
91.05443	1.3
93.07013	1.3
94.04170	2.1
95.04929	1.2
102.97083	0.9
103.05453	9.2
107.04955	1.6
115.05441	1.1
119.04919	1.1
122.03634	5.1
129.10223	1.2
131.04910	20.4
137.05959	100.0
138.06313	3.0
147.04417	1.2
148.95503	1.0
151.03874	1.4
153.05487	1.6
163.07503	14.5
175.07445	1.0
197.06085	1.1
231.46150	1.0
255.06454	1.3
311.09009	1.2
314.07880	1.4
325.10638	1.4
328.05740	2.3
343.08035	7.3
343.11896	2.7
344.08401	1.9
352.30853	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1747
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29335	1.6
53.03934	4.1
55.01857	3.7
55.05477	3.5
56.77472	1.7
57.03432	9.8
57.07038	2.5
59.04966	2.0
61.02910	9.0
67.05489	5.7
69.03419	24.6
69.07052	4.4
70.06593	4.5
71.01311	2.5
71.04981	4.1
71.06043	5.9
72.08147	4.0
73.02898	4.2
79.05458	6.1
81.03405	13.0
81.07040	11.3
83.04977	11.8
84.08089	2.6
85.02892	76.4
86.33669	1.8
87.04442	4.2
88.84709	2.1
91.03938	7.3
91.05451	5.8
93.07023	14.7
95.04960	30.8
95.08578	9.0
97.02882	26.6
97.06509	5.2
99.04443	6.9
103.03993	2.7
104.08189	1.9
105.06996	11.1
107.08565	18.7
109.02860	6.4
109.06509	8.3
109.10158	3.2
117.06962	3.1
119.08546	8.0
121.06522	3.8
121.10108	12.1
123.08050	6.8
125.05981	31.9
127.03902	17.6
130.07761	3.8
133.10135	2.5
135.08073	2.0
135.11662	10.6
137.05978	3.1
137.09621	2.1
145.04913	19.8
145.10115	18.8
147.11688	3.1
163.11159	100.0
164.11461	2.6
165.12715	7.5
173.09187	2.3
181.12206	71.1
223.13260	2.2
240.15321	2.2
269.51602	2.1
354.50708	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1538
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03901	0.5
55.01854	0.6
58.10932	0.5
60.04514	0.9
66.12336	0.5
67.05479	0.8
70.06590	3.3
70.22451	2.7
71.06908	0.7
72.08140	1.2
79.05492	1.6
81.07042	1.2
84.08123	0.9
86.09689	2.3
91.05460	7.1
93.07030	0.9
94.04190	3.0
103.05450	9.5
104.06227	2.1
105.07028	2.1
106.06503	0.6
107.04936	2.1
110.07152	0.5
110.76045	0.5
115.05437	6.2
117.07005	3.6
119.04954	0.9
119.08563	5.2
120.08015	0.7
122.03636	9.6
128.06194	1.9
129.06990	3.9
130.06502	0.8
131.04918	13.4
132.05730	5.6
133.06450	0.7
135.08051	0.9
137.05962	100.0
138.06323	3.0
141.06981	2.9
143.04918	1.5
145.06473	2.6
147.08002	8.0
151.03838	0.7
151.07523	1.7
157.06497	1.6
158.07242	1.2
159.08034	1.4
160.05194	4.7
161.05966	3.4
163.07536	13.8
169.06496	4.1
173.09584	0.9
175.07530	67.3
176.07906	2.6
177.09161	0.8
186.06718	3.3
187.07506	6.1
188.08241	2.9
189.09128	1.7
190.07771	0.8
201.09061	3.7
203.08635	0.7
205.06508	1.0
205.10101	1.2
207.07948	0.6
210.05870	0.8
215.08522	0.8
218.07219	1.2
221.06123	0.7
232.08847	0.6
233.09631	4.0
234.01588	0.6
234.99062	1.1
235.07639	0.8
237.09123	0.6
237.40158	0.5
243.08200	0.5
261.09070	2.5
265.08633	1.4
265.11868	1.1
278.09277	0.7
281.08017	1.1
281.38196	0.5
293.11697	2.8
295.09662	0.6
325.10559	1.0
325.14313	14.8
333.91470	0.6
343.15356	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	343.1539
Annotation	Jamesoniellide D
Peak:m/z	Relative Intensity
55.01869	0.8
55.05506	0.5
60.04513	1.2
65.03928	0.5
66.04741	0.5
67.05474	0.4
69.03423	0.7
69.54913	0.4
70.06588	4.3
71.75604	0.6
72.07815	0.4
72.08151	2.3
79.05488	1.2
81.03416	0.9
81.07056	0.7
82.00093	0.4
84.04495	0.9
84.08141	1.7
85.02921	0.6
85.64579	0.4
86.09698	2.8
87.10004	0.4
91.05475	6.4
93.07043	0.5
94.04182	4.3
95.04976	0.8
100.11252	1.2
103.05456	8.6
104.06245	2.0
105.07043	1.9
107.04935	2.4
109.06521	0.7
110.07174	0.7
115.05454	7.1
116.06323	0.5
116.07057	0.7
117.07011	3.7
119.04948	0.7
119.08569	4.9
120.08093	0.9
121.06443	0.4
122.02784	0.7
122.03646	9.0
128.06195	2.2
129.07001	4.6
129.10233	1.2
131.04924	12.1
132.05733	6.5
133.06471	1.1
135.04498	0.5
135.08017	1.1
137.05971	100.0
138.06281	2.0
141.06984	3.4
143.04910	1.1
145.06461	2.2
146.03636	0.5
147.04424	0.6
147.06879	0.4
147.08040	8.8
148.05116	0.8
149.05939	1.1
151.03932	0.5
151.07533	1.2
153.05547	0.5
157.06464	1.9
158.07268	0.9
159.08060	1.4
160.05202	5.0
161.05952	4.7
162.02943	0.4
162.06735	0.5
163.07536	13.9
169.06488	3.0
170.07112	0.5
173.06058	0.9
173.09663	0.9
175.07536	70.2
176.07849	2.1
186.06764	3.6
187.07549	5.8
188.08304	2.2
189.09081	2.2
190.07843	0.8
194.07152	0.5
201.05481	1.0
201.09077	3.6
203.08559	0.6
205.06468	1.3
205.10068	1.3
207.07997	0.5
215.08549	0.8
218.07196	0.8
222.06790	1.4
233.05894	0.4
233.09615	2.2
234.09982	0.5
235.07521	0.9
237.09105	0.9
239.07127	0.4
243.08128	0.5
250.06204	1.0
250.09860	1.1
251.35809	0.4
260.08282	0.5
261.06668	0.4
261.08997	2.0
262.09756	0.5
265.08582	1.6
265.12173	1.5
266.09103	0.5
278.09293	0.9
279.10068	0.8
281.08090	1.4
283.09589	0.5
292.07318	0.6
293.08038	1.5
293.11700	2.5
294.12091	0.4
295.09634	0.7
296.10443	0.8
297.11111	1.3
302.47104	0.4
307.09494	0.9
310.11838	0.9
311.09183	0.5
311.12646	0.5
325.10757	1.6
325.14291	17.4
326.14746	1.1
343.15479	3.5
343.30768	0.7
362.97507	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1538
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.5
55.01868	0.8
55.05489	0.4
60.04531	0.6
65.03925	0.8
66.04702	0.5
69.03417	1.0
70.06581	3.8
71.06921	0.6
71.66940	0.6
72.08138	1.4
79.05480	1.7
81.03419	0.6
81.07043	1.2
81.96058	0.4
83.05008	0.4
84.04448	0.6
84.08131	1.7
86.09705	2.7
91.05461	7.1
93.07050	0.5
94.04181	3.6
95.04961	0.8
103.05457	11.0
104.06253	2.3
105.03374	0.6
105.07035	1.9
106.06540	0.6
107.04923	2.5
107.08556	0.5
109.06492	0.6
110.07161	1.0
115.05450	7.2
117.07014	3.4
119.04919	1.2
119.08555	5.2
122.03635	10.1
128.06169	2.1
129.06999	4.5
129.10216	0.6
130.06497	0.7
131.04916	12.0
132.01123	0.6
132.05702	6.4
133.06508	1.0
133.10095	0.6
135.08018	1.1
137.05962	100.0
138.06302	3.1
141.06956	2.8
143.04918	0.9
145.06487	2.4
146.03630	0.8
147.04364	0.7
147.08029	8.4
148.05302	0.5
151.03992	0.5
151.07512	1.9
151.08585	0.5
157.06468	2.1
158.07191	0.7
159.08023	1.8
160.05196	5.4
161.05977	4.8
162.06627	0.6
163.07530	14.8
169.06450	3.8
173.09578	0.7
175.07529	67.1
176.07899	1.5
181.08661	0.5
186.06735	2.9
187.07544	6.1
188.08299	2.8
189.07277	0.5
189.09100	1.8
190.07649	0.6
195.08014	0.6
201.09085	3.7
205.10114	1.5
210.05809	1.3
215.08575	0.9
218.07191	0.7
219.08076	0.9
230.15608	0.7
232.08862	0.5
233.09625	2.7
234.98979	1.2
235.07358	0.6
237.09007	0.6
250.09818	1.0
258.08905	0.5
261.09021	2.5
262.09854	0.5
265.08618	0.6
265.12207	1.5
270.98590	0.5
275.10510	0.4
277.08698	0.6
278.09161	0.6
279.10172	0.6
281.07913	1.4
293.08530	0.5
293.11676	2.7
295.09610	0.9
296.10242	0.6
297.11078	0.6
310.11877	0.6
325.10965	0.6
325.14301	13.8
326.14630	0.5
343.08301	0.8
343.11853	0.5
343.15189	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	343.1385
Annotation	Coniferin
Peak:m/z	Relative Intensity
51.32730	0.6
53.03931	1.5
54.07121	0.7
55.05494	1.9
56.05009	1.5
60.04521	1.8
65.03925	2.0
67.05474	1.2
69.03414	2.8
69.07061	1.9
70.02917	0.7
70.06582	32.9
71.06905	1.9
71.74109	0.8
71.74534	1.2
72.08148	5.4
74.06065	0.9
78.85918	0.7
79.05475	6.6
81.03411	7.6
81.07038	1.2
84.04492	2.4
84.08127	10.2
85.02884	4.1
86.09179	1.3
86.09690	15.8
87.05600	1.3
88.03944	0.9
91.05464	13.8
93.07033	1.4
95.04947	1.3
99.04449	2.0
102.05569	1.4
105.03358	1.7
105.07008	5.3
107.04960	2.5
107.08583	25.5
108.08915	0.9
109.02858	4.4
109.06509	5.1
110.07152	3.3
112.08710	1.1
114.48868	0.8
115.05459	8.0
116.07092	6.1
117.07005	9.1
119.04919	2.2
119.06022	1.0
120.08081	1.6
123.04459	0.9
125.09636	0.8
127.03892	1.6
127.08641	1.3
129.10240	4.8
133.02858	1.1
135.08035	100.0
136.07491	1.1
136.08382	2.8
137.05952	6.4
140.07086	0.8
141.10170	1.3
146.65572	0.9
147.04388	10.8
149.05975	1.0
153.09088	1.2
155.08163	2.3
155.11783	1.5
163.07518	35.1
163.11084	0.9
165.05447	3.7
175.07544	2.3
181.08574	20.1
182.08934	1.1
183.11279	1.3
185.09219	2.5
200.13976	5.4
201.12193	1.1
213.08694	1.2
222.06784	1.1
226.60738	0.7
229.15361	1.5
250.06294	1.4
265.08688	1.4
284.19482	1.0
293.07654	1.0
297.11252	0.9
343.23715	0.9
345.95026	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1385
Annotation	Coniferin
Peak:m/z	Relative Intensity
51.35166	0.4
51.72744	0.4
53.03928	1.4
54.22845	0.3
55.01862	0.6
55.05491	0.8
56.05022	0.9
57.03432	0.6
60.04499	1.1
65.03933	0.7
67.05486	1.1
69.03423	2.0
69.07059	0.9
69.50682	0.4
69.51083	3.5
70.02917	0.5
70.06583	11.3
71.04976	1.3
72.08137	2.9
74.06071	0.6
79.05482	7.1
79.72807	0.3
81.03410	8.2
81.07047	0.5
84.04481	1.4
84.07651	0.5
84.08133	5.2
85.02872	0.9
86.09691	8.1
87.05582	0.6
88.03984	0.9
91.05460	15.0
92.05766	0.6
92.06281	0.6
93.07042	1.2
95.04939	1.4
97.02872	0.5
97.06520	0.4
98.02389	0.9
99.04449	2.5
101.07120	0.6
102.05562	0.5
103.05441	0.7
105.07014	5.8
107.04928	2.7
107.08582	25.8
109.02871	4.7
109.06496	4.0
110.07157	1.8
115.05450	9.1
116.07057	2.6
117.07002	10.8
118.07326	0.5
119.04928	0.6
119.06037	1.3
120.08089	1.1
124.05267	0.5
125.03423	0.7
125.07053	0.4
127.03926	0.8
127.08675	0.8
129.10217	2.5
131.75023	0.3
133.06488	1.0
135.08035	100.0
136.08377	2.6
137.05942	2.6
138.09070	0.6
141.10188	0.9
147.04347	1.8
149.06017	0.5
153.09103	0.4
155.08165	0.9
155.11768	0.9
163.07521	29.0
164.07945	0.6
165.05489	0.5
175.07512	1.1
175.12013	0.4
177.22528	0.4
181.08580	19.4
182.08942	0.7
183.11337	0.6
185.09193	0.7
187.07399	0.4
195.03983	0.7
200.13953	2.9
201.05441	0.4
212.06732	0.6
228.13403	0.8
231.08609	0.6
233.05904	0.6
265.08643	0.7
283.09589	0.7
293.08075	0.5
295.16125	0.5
307.09039	0.6
307.12045	1.0
325.13007	1.5
343.13864	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1385
Annotation	Coniferin
Peak:m/z	Relative Intensity
53.03928	1.4
55.01862	1.1
55.05503	0.5
57.03419	0.6
60.04510	1.4
65.03931	1.3
67.05500	1.0
69.03410	2.0
69.07060	0.7
70.06586	4.8
70.35142	0.7
70.35542	0.7
71.04967	0.9
72.08153	1.9
74.06056	0.4
79.05486	8.4
81.03411	8.0
81.07043	1.0
81.36267	0.4
84.04485	0.6
84.08141	2.5
85.02884	1.4
86.09693	2.7
89.06017	0.4
91.05467	16.2
93.07034	1.6
95.04971	1.0
97.06535	0.5
99.04448	3.3
100.11214	0.5
103.05464	0.8
105.06337	0.4
105.07024	6.8
107.04946	3.6
107.08581	28.5
108.08945	0.6
109.02862	4.6
109.06525	4.0
110.07144	0.7
112.05100	0.7
115.05446	9.6
116.06313	0.4
116.07076	0.4
117.07008	11.5
119.05021	0.3
119.06054	1.5
120.05659	0.4
120.08100	1.0
121.06471	0.8
122.03689	0.5
123.04425	0.4
127.03899	0.9
129.10208	1.2
130.08598	0.4
131.04875	0.4
133.02827	0.6
133.06461	1.0
135.08038	100.0
136.07509	0.9
136.08389	2.4
136.53311	0.3
137.05957	4.2
142.03256	0.6
149.05957	0.9
163.07521	29.2
164.07875	0.9
173.05841	0.5
175.07530	1.6
177.05399	0.6
179.08394	0.4
181.06964	0.8
181.08577	16.1
199.09584	0.5
201.05531	0.8
205.06482	1.4
211.07439	0.4
212.10269	1.1
213.07567	1.0
222.06819	0.8
233.05949	0.6
237.09058	0.8
239.06996	0.6
243.21004	0.4
250.06305	0.9
251.37804	0.4
265.08597	1.2
278.05692	0.4
293.08060	1.5
297.11139	0.7
307.09396	1.1
307.12323	0.6
325.10342	1.2
325.13293	1.1
326.12964	0.4
326.23062	0.8
343.13913	1.5
344.24069	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1174
Annotation	ISOTECTORIGENIN TRIMETHYL ETHER
Peak:m/z	Relative Intensity
51.07613	0.2
51.88278	0.2
53.22537	0.2
61.74430	0.2
70.28659	0.4
70.29074	0.9
84.08137	0.3
95.04979	0.3
107.04951	0.5
107.61166	0.2
119.04909	0.3
121.06486	2.4
123.78994	0.2
135.04425	0.6
137.05977	0.5
148.05150	0.3
151.03883	3.3
161.02304	0.3
161.05911	0.4
163.03879	1.4
176.04686	0.5
177.05547	0.7
178.06259	3.8
181.04939	1.0
197.05965	0.7
198.06743	0.9
201.05478	0.4
209.06096	0.5
211.07622	0.4
214.06233	5.1
215.07001	1.0
225.03455	0.3
225.05405	1.9
226.06181	1.1
227.06932	0.6
229.04988	0.9
229.08621	1.0
239.07005	1.8
240.07712	0.3
241.08577	1.4
242.05734	5.2
243.06294	0.5
251.07048	0.4
252.04033	0.3
253.04950	13.1
254.05563	1.1
255.06395	0.5
257.08078	4.8
267.06464	3.9
268.06906	0.3
269.04639	0.3
269.07971	0.6
270.05246	2.9
279.06516	1.1
281.04474	2.2
281.08093	1.3
282.05286	0.9
282.08878	0.4
283.05792	0.5
284.06595	0.3
285.07562	16.9
286.07916	0.6
287.12839	0.5
295.05978	3.2
296.06726	0.6
297.07507	2.1
298.04697	7.0
299.05191	0.3
299.08875	0.7
300.09763	0.4
309.07550	0.7
310.08282	1.8
311.08994	2.1
312.06244	0.5
312.09537	0.6
313.07037	72.9
314.07324	2.8
316.84393	0.3
327.08585	2.0
328.09390	19.4
329.09821	0.5
343.11728	100.0
344.12067	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	342.3726
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04955	0.3
55.05496	0.5
57.06804	0.5
57.07069	8.3
58.06580	1.0
62.06082	3.3
67.05502	0.4
69.07037	0.4
70.47276	0.8
71.08626	4.2
72.08153	1.5
81.07050	0.4
85.10176	0.9
91.39105	0.2
95.08613	0.3
97.08238	0.3
100.59129	0.2
101.41545	0.2
102.93676	0.3
121.10157	0.3
139.25969	0.3
155.05301	0.2
156.17462	2.0
174.18517	5.4
175.18781	0.3
202.21500	0.4
212.23682	1.6
230.24765	4.1
244.88986	0.3
324.36252	1.2
342.37268	100.0
343.37613	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.0883
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01848	0.5
57.03419	1.1
61.02910	0.4
67.02979	0.4
69.03442	0.5
70.96764	0.9
73.02876	0.6
85.02888	1.2
86.02425	0.6
97.02892	0.4
98.20956	0.5
110.03535	2.0
113.03492	3.1
115.03920	0.8
122.03465	1.1
124.05054	0.9
126.28786	0.3
128.04549	0.4
133.04921	1.0
136.01382	0.6
150.02914	0.4
153.04060	14.7
154.02493	3.1
165.04060	1.9
166.02446	1.4
167.05687	0.3
168.04037	14.8
182.47366	0.3
183.05098	3.5
186.05092	0.9
194.01953	0.4
211.04604	100.0
212.04924	2.1
262.09781	0.3
277.05576	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1173
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82822	0.3
55.05519	0.9
67.05505	1.3
69.03425	0.8
69.07051	0.6
70.53844	1.2
79.05501	1.1
80.72997	0.3
81.03393	0.5
81.07046	1.2
83.08620	0.5
84.08160	0.6
85.02882	0.3
91.05468	0.6
93.07042	1.1
95.08631	0.6
97.06530	0.6
105.07027	1.1
107.01275	0.4
107.08619	1.2
121.10177	0.5
125.02360	0.8
127.03956	0.4
133.06496	5.3
133.10144	0.4
135.04405	5.4
135.11713	0.7
145.10098	0.7
153.01808	11.2
171.02879	2.7
181.01303	7.2
197.00883	0.4
199.02399	3.9
211.07549	0.9
239.07068	0.4
243.06541	1.2
255.06519	0.7
257.08090	1.9
264.15591	0.4
267.06564	0.5
270.05267	1.3
271.11234	1.2
283.06091	1.1
284.06790	1.7
285.07550	17.5
286.07721	0.5
298.04745	0.7
299.09036	1.8
311.09293	0.4
312.06323	0.8
313.07040	90.7
314.07431	3.1
327.08478	2.3
328.09418	8.1
341.01352	0.4
343.11731	100.0
344.12158	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	343.1172
Annotation	MUNDOSERONE
Peak:m/z	Relative Intensity
53.03930	0.8
56.38993	0.6
58.29864	0.6
62.10774	0.7
65.73991	0.6
66.04709	0.7
69.36740	0.6
71.35419	0.7
71.35776	1.0
79.05486	4.2
79.29206	0.6
81.07042	1.5
94.04155	0.7
95.04975	4.3
103.05430	0.9
105.07014	1.6
107.04925	1.5
108.05710	1.3
109.06500	4.2
118.04151	2.2
121.06505	3.2
124.05229	4.1
125.05975	0.8
133.06506	3.7
135.04399	1.8
135.08057	0.7
136.05170	1.1
137.05969	23.6
139.07530	14.9
146.03603	3.7
147.04385	1.1
148.05171	1.2
149.06038	1.6
150.06700	0.9
151.03889	26.8
151.07489	6.0
151.80220	0.6
155.06961	2.9
161.05969	100.0
162.06596	2.7
163.07602	0.8
165.05438	1.1
165.09081	1.8
167.07037	18.6
176.04668	1.5
177.05466	9.6
178.06102	1.3
179.07007	6.7
189.05457	9.0
191.07018	20.3
192.07793	42.1
193.08560	4.6
195.06581	0.7
214.66869	0.7
219.06517	0.8
234.36665	0.7
251.07114	0.7
279.06519	0.7
281.08289	0.8
285.06400	0.7
294.08810	1.1
314.28583	0.7
315.12180	8.0
325.10715	1.7
343.11746	40.8
344.12164	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.2999
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55896	0.7
55.05500	1.2
57.07064	8.0
60.20435	0.7
61.15931	0.8
67.05493	2.4
69.03416	3.2
69.07053	1.6
69.84033	5.9
71.08621	4.5
81.07055	2.4
83.08620	1.2
85.10172	1.9
86.06057	100.0
87.04462	14.9
95.08601	3.2
97.10134	1.2
104.07091	18.6
107.26799	0.8
109.10139	1.8
128.55939	1.0
142.90446	0.8
283.26297	2.1
342.29919	3.0
342.37299	4.8
362.62653	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.3
Annotation	(-)-7-Hydroxyspectaline
Peak:m/z	Relative Intensity
55.05496	4.3
56.05022	4.1
57.03425	1.6
58.90412	1.4
60.04518	100.0
67.05500	7.7
69.07049	4.5
70.06576	1.9
71.74701	1.5
72.04479	1.5
74.06070	1.8
77.57473	1.1
79.05487	6.4
81.07050	8.1
83.08626	2.8
91.05462	2.3
93.07046	3.3
95.08615	6.1
105.07036	2.6
107.08594	2.3
110.59589	1.3
115.05414	1.3
121.10139	2.3
134.03098	1.2
135.11731	1.5
164.26768	1.5
280.25931	1.5
295.95963	1.4
296.10455	1.3
306.27811	12.0
324.28909	11.0
342.29977	33.3
343.30298	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.3363
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05493	2.3
57.06804	1.2
57.07071	21.3
58.06575	0.8
60.08141	1.9
62.06067	2.9
63.86070	0.6
65.44238	0.6
67.05500	3.2
69.07052	2.9
71.08624	11.0
71.73570	0.8
71.73983	0.9
72.08139	2.4
73.02908	1.6
81.07037	3.0
83.08612	3.3
85.10176	4.5
87.04452	0.7
91.05456	0.8
93.07034	0.9
95.08603	4.2
97.10146	1.3
109.10104	1.3
156.17464	1.0
174.18553	3.9
212.23615	1.6
230.24812	4.8
283.26294	100.0
284.26697	3.3
286.31079	0.7
324.36099	1.0
342.33539	38.3
342.37311	95.7
343.33859	1.8
343.37564	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	342.2635
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	50.8
67.05486	58.2
69.07058	35.4
71.04983	33.3
71.73480	25.1
79.05466	40.2
81.03416	20.4
81.07047	95.3
91.05460	41.2
93.07039	33.3
95.08598	54.0
97.06590	20.7
99.08055	15.9
105.07005	43.6
107.08541	24.9
117.06992	25.2
119.08566	28.6
121.10115	16.6
123.08044	19.6
131.08620	20.5
133.10149	22.7
139.20776	14.1
147.11624	20.6
156.20717	13.5
212.20108	11.7
266.03363	15.8
275.20087	100.0
293.21164	29.6
296.44031	15.1
307.22595	55.2
319.21164	33.6
337.22409	36.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.2637
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	5.8
55.05507	57.5
58.06590	4.4
60.04520	14.7
60.63539	4.9
61.79238	4.2
63.86691	4.0
63.94534	3.7
67.05494	24.8
69.03407	8.8
69.07069	24.4
70.06596	3.4
70.49691	12.1
73.52343	4.1
78.95777	3.9
79.05468	38.0
81.07052	23.1
83.04971	6.0
83.08603	32.5
87.99351	4.5
88.07602	10.2
91.05457	19.4
93.07051	25.8
95.04946	7.0
95.08585	17.8
95.72371	4.1
97.06555	4.5
97.10157	80.1
100.61547	4.6
105.07031	22.1
107.04953	4.1
107.08583	99.8
108.08896	4.6
109.06461	4.8
109.10126	10.2
110.39809	4.1
111.08053	4.8
112.18466	3.7
116.70887	4.1
119.08576	6.9
121.10174	8.7
124.23891	4.4
125.09617	80.6
129.06880	4.3
131.08549	6.1
133.10109	10.3
135.08031	13.0
135.11732	6.1
145.10080	14.5
147.11665	5.3
153.09093	13.3
157.12134	8.3
159.11703	9.2
171.10262	5.1
203.12764	100.0
239.17944	5.1
243.84995	4.3
257.19040	14.4
275.20053	43.7
289.21582	11.5
298.27274	5.2
307.22705	7.8
324.29065	5.0
342.29996	6.0
343.18823	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	342.2272
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17222	4.3
55.01855	17.3
55.05504	23.0
57.03428	9.0
57.07062	12.5
67.05184	5.8
67.05502	67.7
69.03407	11.8
69.07061	30.4
69.60067	12.4
69.60485	27.4
70.06581	5.1
71.04986	14.3
78.35102	5.3
79.05478	37.7
81.03397	8.8
81.07053	67.7
83.04973	13.2
83.08606	6.7
85.06525	11.9
86.00633	5.5
86.09704	16.3
91.05466	68.5
93.07029	46.5
95.04956	21.2
95.08597	21.5
97.06519	79.8
104.63439	4.4
105.07011	77.3
106.07345	5.2
107.04911	11.5
107.08588	47.4
109.06502	19.6
109.10155	85.5
111.04443	6.5
111.08065	15.7
113.06004	10.3
117.07005	12.6
119.08582	15.7
121.06516	7.8
121.10123	6.2
123.08038	10.3
123.11658	13.0
125.09557	4.8
129.07101	6.4
131.08551	15.5
132.10243	11.1
133.06450	12.1
133.10114	100.0
135.07991	7.1
143.08516	7.8
145.06516	5.6
145.10092	6.7
147.11526	7.2
149.09476	6.4
151.11143	42.6
156.08386	7.2
157.09933	4.6
159.11705	6.2
161.09584	5.5
163.11235	4.3
169.12141	5.6
171.11693	5.3
179.10577	6.0
183.09665	6.7
233.15337	6.6
240.23216	78.6
250.17033	5.1
261.18851	6.7
289.17975	17.9
296.17682	5.6
307.18851	8.4
315.17380	13.9
333.07986	4.7
342.24615	12.0
342.82770	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	342.227
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	15.9
55.05507	53.1
56.33096	14.2
57.03420	19.9
59.94927	14.3
67.05492	93.9
69.07056	26.3
70.06606	38.1
71.04983	82.8
71.74599	34.7
72.08142	18.1
79.05484	50.6
81.03447	20.1
81.07037	100.0
82.07378	17.9
83.04985	21.3
84.08118	18.5
87.04492	15.9
91.05463	66.1
93.07047	37.6
95.04953	31.5
95.08616	60.8
97.06505	20.7
97.10149	22.6
105.07015	22.2
107.08595	48.3
109.06501	30.9
109.10156	28.8
117.07059	22.0
119.08612	26.4
123.08160	19.3
131.08524	27.8
133.10165	25.3
145.10100	15.8
147.11598	15.5
149.09636	16.2
149.13187	23.9
151.11209	25.6
159.08087	18.3
159.11682	20.0
162.81369	14.0
165.13028	19.1
180.84329	16.9
187.13260	22.6
227.16313	22.2
278.94409	16.4
289.17966	23.2
307.22830	17.0
342.24411	88.4
342.28528	18.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.1923
Annotation	3'-Acetylindicine
Peak:m/z	Relative Intensity
55.05514	0.7
56.05024	0.2
57.03426	0.3
58.06573	0.2
62.08477	0.1
65.03938	1.8
67.05495	0.5
68.04149	0.1
69.07061	0.3
70.06593	1.3
70.21297	0.3
70.21703	0.7
72.08151	0.3
73.90833	0.2
77.60963	0.1
79.05494	0.7
81.07050	1.9
82.06577	0.3
82.07380	0.1
83.05024	0.2
83.08624	0.2
84.04477	0.5
84.08144	0.4
85.02897	0.2
85.33076	0.1
91.05473	100.0
92.05814	1.1
92.13904	0.2
93.07028	0.5
94.06609	0.2
95.04932	0.3
95.08607	0.8
97.06526	0.2
105.07011	0.3
107.08575	0.4
109.10171	0.2
121.10143	0.2
131.08546	0.2
136.06161	0.8
136.07507	0.2
137.05978	0.5
148.06171	3.9
176.07852	0.2
178.13065	0.2
180.13821	0.4
198.14883	5.2
214.17973	0.2
216.15933	7.9
219.76035	0.1
226.10857	24.3
227.11182	0.5
234.13519	0.4
280.15555	0.3
310.16415	0.2
324.18170	16.3
325.18481	0.6
342.19229	56.0
343.19519	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.3046
Annotation	Glycidyl stearate
Peak:m/z	Relative Intensity
50.34606	2.6
55.05503	4.2
57.03424	15.1
57.07073	41.6
67.05486	9.6
67.45403	2.6
69.07052	8.6
71.08620	36.0
71.76088	4.2
81.07035	12.4
82.68645	2.7
83.08628	6.7
85.10163	16.4
95.08602	18.8
97.10155	9.3
109.10123	9.4
111.11700	4.1
151.28841	2.9
162.40834	3.2
283.26083	3.8
285.27802	4.0
287.66571	2.7
341.30487	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.1756
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03419	8.8
59.04999	2.2
60.04505	2.1
67.54562	1.9
68.32714	1.8
69.03424	6.7
70.06594	8.0
71.04999	4.1
71.08632	8.9
71.74094	2.6
73.98652	1.8
79.05482	3.8
81.03418	5.2
81.07047	22.9
84.08114	2.3
84.90458	2.0
85.02902	16.5
85.06557	3.5
91.05806	4.1
97.02901	5.7
99.08086	21.2
105.07066	2.0
107.04993	2.2
109.02837	2.7
109.06504	19.9
110.07171	3.2
117.09117	100.0
127.03899	3.3
127.07541	47.2
135.08025	4.8
137.05931	2.2
145.05016	2.8
153.50275	1.9
159.87119	1.7
163.03893	3.7
163.07523	2.3
163.09645	21.5
180.08673	2.8
180.12413	2.4
208.07953	3.1
211.04639	4.5
324.12692	3.0
343.12485	2.5
360.02728	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.2838
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00309	0.5
55.05507	9.5
56.92072	0.5
57.03434	19.0
57.07072	60.2
59.04995	0.6
66.67184	0.5
67.05502	14.1
68.66073	0.5
69.07066	11.2
70.15728	2.5
71.04992	2.1
71.08626	38.4
75.04449	0.7
79.05476	3.0
81.07052	22.5
83.08617	10.4
85.06544	1.1
85.10177	22.4
89.06033	3.1
91.05502	1.9
93.07034	8.3
93.07583	0.7
95.08599	26.6
97.06524	0.9
97.10165	9.4
97.10744	0.9
99.11736	1.0
103.07574	1.3
105.07024	4.9
107.08589	7.3
109.06495	0.7
109.10149	13.7
109.10871	0.8
111.08090	1.5
111.11704	4.1
111.39989	0.5
112.35165	0.5
113.09673	0.9
117.07016	0.9
119.08572	8.7
121.10116	5.2
123.11699	6.9
125.09643	0.6
125.13287	0.7
131.08588	1.9
133.10104	3.2
135.11652	3.2
137.09636	0.8
137.13225	2.7
139.11200	0.9
143.08563	0.8
145.10104	3.9
147.11681	2.2
149.13210	4.3
151.14815	1.1
157.10159	2.7
159.11685	5.1
161.13298	2.4
163.14757	3.1
171.11708	1.1
173.13258	3.3
175.14865	1.6
185.13232	1.0
187.14734	2.5
189.16400	1.5
191.17914	2.7
196.58199	0.7
199.14862	1.2
201.16432	1.3
213.16420	1.7
215.18011	1.9
227.18040	1.3
229.19556	0.6
239.17812	0.6
253.19563	0.7
257.22778	0.6
267.21039	0.7
267.26770	2.6
271.24332	0.5
281.22549	0.6
283.24164	6.4
285.27936	4.6
297.25827	0.6
323.27316	5.4
341.30588	100.0
342.30869	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1744
Annotation	16beta-Hydroxy-3,11-dioxopregna-4,17(20)-dien-21-oic acid, gamma-lactone
Peak:m/z	Relative Intensity
57.03436	0.7
57.07066	1.5
57.68172	0.8
65.03951	1.0
70.70977	2.7
83.07004	0.7
91.05468	65.8
92.05785	1.9
105.03416	1.2
110.37893	0.8
115.05470	1.1
131.04965	1.2
133.06480	0.9
137.05969	5.4
147.04387	0.9
159.04350	1.0
161.05920	1.0
165.07001	1.3
166.07730	2.3
166.09192	0.8
167.08591	0.8
175.07523	2.2
179.08586	2.4
181.10150	2.0
187.07504	1.6
189.05403	6.3
191.08556	2.7
191.25992	0.8
194.07262	2.5
207.08037	1.3
209.09590	2.7
219.08023	2.3
235.07729	0.9
237.09077	3.9
239.10625	3.0
249.09091	1.9
263.10718	1.2
267.10132	100.0
268.10446	5.1
271.09360	1.3
285.11133	9.7
291.10074	2.0
299.30026	0.8
323.13400	1.2
323.16385	28.4
324.16803	1.5
341.13593	1.0
341.30136	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.2684
Annotation	Subamolide A
Peak:m/z	Relative Intensity
53.03936	3.2
55.01862	3.6
55.05515	12.8
56.96577	1.2
57.03414	2.2
57.07066	5.6
67.05496	20.7
69.07060	11.1
70.09899	6.9
71.04977	2.4
71.08612	1.4
79.05476	12.0
81.03416	8.4
81.07054	22.6
83.04973	5.4
83.08610	5.8
85.06534	2.1
85.10178	11.3
91.05474	8.0
93.07040	12.7
95.04962	9.0
95.08604	10.1
97.06528	1.8
97.10165	6.1
98.21346	1.7
105.07024	8.1
107.04926	2.1
107.08579	7.5
109.06525	4.4
109.10144	10.4
113.09629	6.9
119.08592	6.8
121.10136	4.6
123.08072	2.8
123.11681	2.6
125.09628	2.5
129.07091	1.4
131.08549	3.0
133.10088	6.7
137.05942	1.8
145.10115	2.6
147.11685	3.8
149.09648	3.8
151.11182	5.7
157.10136	1.3
159.11751	1.8
161.13199	1.7
165.12741	16.9
179.14279	2.2
275.20029	7.4
277.21597	42.9
293.21051	1.6
295.22662	100.0
296.23077	2.9
323.25735	7.0
341.21210	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.2683
Annotation	ent-13E-Labdene-2alpha,3alpha,8alpha,15-tetrol
Peak:m/z	Relative Intensity
50.51991	5.3
55.01866	34.0
55.05507	40.2
57.03409	7.4
57.07060	21.4
67.05504	63.1
69.07061	28.5
69.96517	26.6
69.96931	11.5
71.04972	10.2
71.08614	44.9
73.62047	5.5
79.05505	45.3
81.03436	7.8
81.07052	77.3
83.08604	26.8
85.10158	13.3
88.91585	6.1
89.06007	8.5
91.05444	39.4
93.07024	45.0
95.04955	8.3
95.08601	37.0
97.06500	25.3
97.10133	8.3
98.21529	7.7
99.08097	33.9
104.57610	5.9
105.07049	28.8
107.08577	24.5
108.36911	6.4
109.06511	7.0
109.10128	21.5
111.08054	31.9
113.09634	14.5
117.07059	7.8
117.97054	6.4
119.08555	21.8
121.10142	19.4
123.08049	6.1
123.11685	8.7
125.09630	12.0
129.06998	7.8
131.08557	13.9
132.11948	6.2
133.10107	29.8
135.11707	16.9
137.05943	15.4
141.12793	8.3
145.10120	11.5
147.11650	19.3
149.09561	8.8
149.13263	12.3
151.11168	15.9
157.10110	7.2
159.11646	11.1
161.13210	13.7
163.11116	9.8
165.12697	21.5
179.14264	16.3
187.88562	5.7
231.20859	6.3
252.21902	6.1
259.20544	12.5
276.76508	5.8
277.21640	100.0
291.10025	9.7
295.22604	40.3
323.25781	8.3
341.16245	12.9
341.21121	6.6
341.30145	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	341.1382
Annotation	Hydranthomycin
Peak:m/z	Relative Intensity
53.03929	1.2
55.01864	1.1
55.05507	1.0
56.05012	1.8
57.05762	0.8
57.07071	2.3
60.04506	1.5
69.03410	1.2
69.07036	1.7
69.64231	6.7
70.06588	16.3
71.04974	1.8
72.08156	5.5
74.06085	1.6
79.05489	2.4
81.03398	2.5
81.07028	2.8
83.06097	5.5
84.04486	2.3
84.08137	10.0
85.02885	2.2
86.09699	7.7
91.05386	4.6
93.07012	1.9
94.04183	2.4
95.04929	1.6
95.08617	1.1
98.20816	2.1
98.21466	1.7
103.05443	3.9
105.07028	7.6
107.04919	2.7
109.02866	1.0
109.06508	4.2
109.10118	1.2
110.07172	5.5
111.04424	1.3
115.05459	2.3
117.79588	0.9
118.45221	0.9
119.04948	2.6
119.08568	1.6
120.08118	2.6
121.06481	1.9
122.03620	6.7
122.07124	0.9
122.20443	0.9
125.05956	1.0
128.06181	3.1
128.10568	1.2
129.07007	8.1
129.10207	4.8
130.04137	1.2
131.04906	4.8
131.08470	1.4
132.79480	0.8
133.02838	2.1
133.06459	2.3
133.10115	4.3
135.04417	1.8
136.06213	1.6
136.07574	0.9
137.05962	100.0
137.09544	1.9
138.06361	1.1
143.04877	1.2
143.08499	1.7
144.05661	3.5
145.04987	0.9
145.06430	2.2
146.03610	1.3
147.04382	2.7
147.08026	1.2
149.05952	4.4
150.06825	1.0
151.03883	2.1
151.07503	4.1
157.06499	5.2
158.07248	1.1
159.08012	1.3
160.05205	2.2
161.05957	6.7
161.09586	2.0
162.06590	1.3
163.07544	4.5
164.66800	1.1
165.05481	2.8
165.06892	1.7
171.08008	1.7
171.94092	1.2
172.05193	6.5
174.06749	11.3
175.07497	12.6
177.05431	4.7
177.09094	1.4
179.03384	2.0
179.07059	2.1
179.10703	1.4
182.12907	3.4
185.05930	1.0
187.07523	36.5
188.08139	1.8
189.09084	15.6
190.07774	2.1
191.06973	1.8
191.08560	5.2
194.07118	1.0
196.05176	1.2
199.07521	5.4
199.31133	1.2
202.07767	3.2
203.08525	12.6
205.06436	3.3
205.08270	1.0
208.08821	2.4
211.07533	3.8
213.05415	1.3
217.06671	1.8
217.08577	18.2
218.07227	2.5
219.08023	10.4
220.08839	5.0
222.06653	0.9
225.09178	1.6
227.07013	5.9
228.07794	1.2
231.08025	12.1
232.08826	3.1
233.06059	2.0
233.09515	1.9
235.07587	2.9
236.08270	3.9
237.09055	2.3
238.09955	1.0
239.06978	1.9
240.07727	2.7
247.07539	7.7
248.08313	14.0
249.05383	1.0
249.08957	2.9
250.06120	1.3
251.10674	7.1
253.08629	1.3
255.06528	3.2
256.07370	1.3
259.07553	5.7
260.08252	2.4
261.09052	3.1
263.07162	1.9
263.10651	13.3
264.07813	2.7
265.08588	6.1
267.10199	1.4
270.08887	7.9
271.09589	8.4
276.07742	7.5
277.08606	5.0
279.10126	13.8
280.10748	1.8
281.08118	2.8
281.11560	1.7
283.09543	2.7
291.10114	34.7
292.10727	3.5
293.08096	4.7
293.11145	1.1
295.09787	2.4
296.10422	7.8
297.11014	2.5
307.09546	1.1
308.10275	3.4
309.11066	1.5
311.09360	1.9
311.12726	15.0
323.12720	31.5
323.24857	1.1
324.13080	1.3
341.09842	1.6
341.13803	17.9
341.21707	1.8
359.02734	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.138
Annotation	Letestuianin A
Peak:m/z	Relative Intensity
54.07401	1.4
55.01854	1.9
55.05492	2.9
57.03438	1.2
57.44822	1.2
59.35937	1.1
67.05489	5.7
69.03403	1.6
69.07047	2.1
70.06584	3.0
71.74705	2.1
72.08141	2.2
79.05465	5.1
81.07069	6.2
83.04981	1.7
84.04493	1.7
84.08137	1.3
85.02918	1.7
91.05457	15.5
93.07024	3.8
94.04179	3.6
95.04967	5.4
95.08588	4.8
97.02839	1.5
100.07588	2.1
103.05453	3.3
105.07008	7.7
105.28296	1.3
107.04935	5.4
107.08556	2.2
108.05090	1.4
109.02884	1.6
109.06499	3.5
109.10153	4.9
111.04372	2.1
115.05437	5.1
117.06996	5.7
119.04903	3.7
119.08561	11.0
121.06504	3.5
122.03704	7.2
123.04404	2.1
128.06197	4.8
128.07054	2.5
129.06956	9.6
130.04974	1.7
131.04926	4.2
131.08548	1.6
132.05688	9.5
133.06491	3.1
133.10110	2.7
135.04362	2.0
137.02365	1.8
137.05966	100.0
143.04955	1.2
145.06462	5.2
147.04411	7.8
147.08035	8.5
147.11743	1.9
149.05984	2.6
149.09637	1.3
151.07516	3.9
153.05455	1.6
156.89268	1.4
157.06525	3.1
159.08081	2.0
160.05199	5.5
161.05984	14.1
163.07510	3.0
165.05426	1.4
167.07077	2.6
175.07542	69.8
176.07863	2.0
177.09134	6.5
179.03304	2.4
179.07040	1.6
181.16640	1.4
185.06042	3.6
187.07555	7.4
189.07025	1.6
189.09126	3.9
190.07809	1.6
191.08553	5.4
202.07744	3.7
203.08519	4.4
207.08080	2.2
211.11501	1.7
213.66504	1.3
217.08562	2.7
218.07233	2.4
219.08109	7.7
220.08690	2.1
221.09642	2.4
231.07983	6.7
234.06876	2.3
235.07507	2.4
236.08383	1.5
239.12726	3.0
247.07475	3.6
248.08276	3.7
249.09126	3.1
251.10637	7.6
253.08585	2.5
259.07532	5.7
263.10629	2.3
265.08621	2.4
276.07794	2.9
277.08563	2.4
279.10062	7.1
281.08478	1.5
281.11673	4.0
291.07135	2.0
291.09955	7.4
296.10696	1.6
299.05426	2.5
309.11230	9.6
311.12704	7.0
313.07053	7.4
313.14236	2.5
323.12680	9.0
341.06665	14.8
341.13480	20.8
342.06754	1.6
344.24240	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.138
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83429	1.3
53.03932	1.2
59.28916	1.2
60.25978	1.2
61.90613	1.1
65.03942	1.8
67.05496	1.8
69.03410	3.2
69.07066	2.1
70.06591	8.6
71.72849	1.7
72.08154	3.7
77.47960	1.2
79.05482	6.0
81.03419	1.5
81.07052	2.3
84.04512	3.5
84.08136	5.0
85.02888	1.9
86.09692	4.4
91.05434	12.2
93.03402	2.0
93.07040	3.2
94.04172	3.5
95.04946	2.3
97.02863	1.2
101.87483	1.3
103.05447	9.2
105.07029	21.2
107.04941	2.4
107.08540	3.3
109.06465	1.5
110.07158	1.5
110.09681	1.3
115.05454	6.3
118.04118	1.7
119.04948	3.5
119.08560	6.9
120.08111	1.6
121.06505	1.8
121.10107	1.7
122.03627	7.7
128.06183	2.1
129.06999	5.9
131.04942	8.1
131.08527	2.5
132.05719	4.1
133.06505	14.1
133.10107	4.7
135.04419	2.6
136.07523	1.8
137.02336	3.6
137.05971	100.0
144.05705	2.8
145.06445	3.2
147.04402	5.3
147.08037	5.4
149.05942	1.7
149.09601	3.1
151.03876	1.4
151.07509	2.9
157.06407	2.5
159.08028	6.5
159.50748	1.4
160.05182	3.5
161.02403	2.4
161.05977	31.3
161.09607	2.9
163.07545	5.7
172.05193	7.3
175.07539	43.3
177.09018	2.2
179.03403	6.9
179.07039	2.2
187.07544	28.1
189.09106	2.9
190.07751	3.3
191.08551	7.1
199.07512	2.9
202.07750	2.6
203.08551	7.0
203.61028	1.4
207.02924	2.4
217.08597	5.1
218.07289	2.3
219.08043	12.1
220.08908	3.0
231.08080	6.4
235.07599	1.9
236.08292	1.9
247.07515	5.7
248.08363	3.8
249.08971	1.4
250.06042	1.2
251.10696	14.5
259.07465	2.8
263.10696	5.0
264.07941	1.9
265.08670	3.5
271.09561	1.9
276.07831	2.5
279.10089	11.9
280.10895	2.1
291.10107	8.9
295.05969	2.6
296.10437	1.8
299.05518	4.4
308.10266	1.3
309.11209	2.3
311.12781	12.9
313.03510	1.7
313.06992	20.3
323.05469	3.9
323.12811	8.4
324.14438	1.4
341.06171	38.1
341.13931	6.3
341.20520	3.0
342.06781	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	341.138
Annotation	Letestuianin A
Peak:m/z	Relative Intensity
53.02941	1.2
55.01850	2.2
55.05507	10.8
56.05806	1.4
57.07043	2.1
70.06577	2.6
70.99843	2.5
71.00182	1.6
79.05468	4.3
79.84676	1.3
81.07028	3.2
82.06563	4.1
83.08612	8.2
84.08121	3.1
84.08959	2.0
86.09692	3.5
91.05427	8.0
91.58076	1.3
93.07027	1.7
94.04169	3.3
95.04964	1.6
100.07597	3.4
100.11242	37.5
101.11568	7.1
103.05452	5.4
105.07018	7.6
107.04926	6.2
109.06514	2.3
110.06030	2.3
111.04411	3.7
115.05421	5.0
117.07001	3.7
117.13893	1.6
119.04896	3.9
119.08553	5.0
121.06472	2.9
122.03665	8.3
128.06209	3.4
128.07108	1.9
129.06966	9.0
131.04935	7.8
132.05664	5.4
133.06456	4.6
137.05956	100.0
141.11452	2.0
141.61665	2.3
143.04903	1.5
145.06476	5.7
145.90193	1.3
146.03539	3.0
147.04398	4.8
147.08006	7.4
149.05948	2.4
151.03874	1.7
151.07570	3.3
153.05417	1.9
155.04866	1.6
156.05759	1.9
157.06497	3.0
159.08017	4.0
160.05147	3.1
161.04704	2.3
161.05960	30.7
162.06631	3.0
163.07526	5.4
165.06972	2.1
167.07051	7.2
172.05145	1.4
173.05965	1.3
174.06624	1.9
175.07533	50.9
177.05447	1.3
177.09096	6.5
178.07788	3.2
179.07013	2.5
179.08452	1.4
182.15419	9.6
183.15720	3.8
185.05878	1.5
187.07530	13.4
189.07219	1.2
189.09135	4.3
190.07733	3.2
191.06946	5.6
191.08559	7.4
193.10086	2.4
194.07285	1.5
199.07454	1.5
199.18149	1.8
202.07797	3.9
203.08516	11.4
205.06427	3.7
206.07220	5.1
206.54326	1.5
207.08121	3.4
209.16478	5.3
210.14832	9.7
210.16678	2.2
211.15208	4.9
213.67889	2.9
217.08562	6.7
218.07225	2.7
219.08044	10.9
220.08759	4.2
221.09555	5.5
222.06612	1.6
223.07544	2.6
226.19084	1.7
227.17532	5.8
227.67604	4.2
231.08070	10.6
232.08688	1.7
233.06139	1.9
234.06729	5.1
235.07466	4.8
236.08261	2.3
237.09067	2.9
238.09850	1.7
247.07607	5.4
248.08318	9.6
249.09042	10.7
250.06183	2.0
251.06938	4.5
251.10611	7.4
259.07477	9.8
260.08212	2.8
263.07083	2.3
263.10617	6.4
264.07703	3.4
265.08551	8.0
266.09271	4.1
276.07855	4.4
276.72748	1.9
277.08542	4.1
277.22906	8.6
277.73065	1.7
278.09265	1.9
279.10092	10.3
281.11658	8.9
291.10129	11.8
293.08096	2.8
294.08881	1.7
295.09631	5.2
308.10483	3.0
309.07626	2.8
309.11169	32.0
310.11844	2.2
311.09216	2.2
311.12732	6.1
323.09207	2.4
323.12692	13.5
326.11340	2.5
330.52075	1.6
341.10333	2.5
341.13815	37.3
341.26093	1.8
343.30774	6.0
344.30966	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	341.1381
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14823	0.8
55.01859	1.4
55.05498	1.1
55.09340	0.8
57.03413	0.8
63.84698	0.7
65.03937	1.6
69.07031	0.8
70.06590	1.5
71.04986	4.3
72.23620	0.7
75.93665	0.7
79.05478	3.3
81.07049	4.7
82.06535	0.8
83.04915	1.0
85.06503	0.8
86.09696	0.8
90.53797	0.7
91.05442	4.7
94.04181	2.8
95.04946	1.2
95.08600	0.9
96.76893	0.7
100.11261	1.9
103.05408	2.0
105.07024	1.8
107.01706	0.7
107.04952	1.8
107.08576	1.4
109.06515	3.7
111.04433	4.2
115.05461	2.3
117.06995	0.9
119.04910	1.9
119.08570	1.3
122.03632	8.9
125.05974	2.2
128.06241	1.8
129.06989	7.6
131.04897	2.8
131.08607	1.3
133.02841	6.1
133.06520	1.1
134.15923	0.8
135.04391	1.5
135.07983	0.8
137.05962	100.0
138.06265	1.0
141.06944	0.8
143.04910	2.0
143.08528	1.2
144.05684	3.4
145.06459	3.4
146.03625	1.1
146.07214	1.2
147.04346	1.3
147.07951	1.5
149.02330	6.2
149.05966	3.3
151.03883	3.6
151.07509	5.3
153.05479	2.1
157.06497	4.0
158.07301	0.9
159.08041	1.2
160.05226	4.0
161.05975	6.1
161.09586	1.1
163.07542	3.2
164.04649	1.2
165.05464	5.5
165.06758	1.1
167.07088	1.9
168.05637	1.7
171.08009	1.2
172.05147	4.8
173.05927	1.1
174.06766	7.7
175.07539	19.1
177.05484	5.4
177.09065	3.0
179.07043	5.0
181.06506	1.0
184.16980	1.0
185.05980	1.2
187.07527	31.1
188.08127	0.9
189.09055	11.5
190.07822	1.5
191.07008	1.7
191.08543	3.0
193.04926	4.1
193.10037	1.0
195.07991	0.9
196.05200	4.7
197.05969	2.3
199.07500	4.1
202.07764	2.8
203.08548	12.9
203.14238	0.8
205.06479	2.2
205.08595	2.4
208.08807	1.4
210.06754	1.2
211.07533	19.1
212.04662	1.6
213.05414	3.7
217.06635	1.5
217.08582	12.8
218.07297	1.9
219.08051	8.8
220.08752	6.5
221.05902	1.7
221.09567	2.7
222.06700	1.3
223.07648	1.0
224.08391	0.9
225.05463	2.5
225.09113	1.7
227.06989	14.8
228.07817	1.8
231.08026	13.1
232.08839	3.2
233.05963	3.0
233.09575	2.0
234.06676	1.9
235.07591	2.5
236.08315	1.9
237.09102	2.7
238.09883	0.9
239.06973	13.0
240.07780	12.6
241.04993	1.8
241.08499	2.7
247.07494	8.0
248.08296	23.3
249.09068	3.5
249.14854	2.9
250.06087	1.9
251.06950	1.6
251.10567	4.0
253.08614	3.0
254.09419	1.7
255.06482	9.1
256.07278	9.2
259.07523	5.0
260.08224	1.8
261.09109	2.2
262.10080	1.2
263.07019	2.2
263.10645	17.2
264.07828	3.4
265.08578	6.0
267.06662	1.1
267.15887	4.4
268.07309	3.4
269.07968	1.7
270.08856	22.4
271.09610	43.1
272.10022	0.9
276.07788	9.7
277.08527	7.3
279.10110	10.1
280.10861	2.4
281.08130	3.4
281.11682	3.6
282.08878	0.9
283.09610	9.8
286.89615	1.0
291.10123	51.9
292.10748	5.1
293.08112	4.4
293.11145	0.8
295.09668	2.2
296.10504	4.6
297.11154	3.2
298.08456	1.0
305.11804	1.8
307.09506	1.5
308.10342	6.9
309.07739	1.5
309.11172	4.0
310.11954	0.9
311.12717	11.3
313.06940	0.8
313.10562	0.9
313.14191	2.6
323.09412	1.4
323.12723	35.8
323.18457	1.4
324.13266	1.1
337.20020	0.9
341.06717	1.0
341.10049	2.5
341.13785	23.9
341.19806	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.138
Annotation	Hydranthomycin
Peak:m/z	Relative Intensity
50.21173	0.5
53.03945	0.9
55.05502	1.8
55.47606	0.5
63.68176	0.5
65.03919	0.8
70.47249	1.2
70.47652	1.0
71.04996	3.9
79.05478	1.6
81.07023	1.6
83.08615	0.8
91.05483	3.7
94.04163	2.4
95.04981	0.9
97.61232	0.6
100.11246	3.5
103.05452	1.9
105.07014	0.6
107.04952	2.1
109.06500	2.6
111.04446	1.5
114.15257	0.5
115.05437	2.3
117.06995	1.4
119.04936	2.0
119.08585	0.7
121.06484	0.7
122.03630	8.7
125.05938	1.2
128.06236	1.4
128.71147	0.6
129.06999	7.1
131.04889	3.5
133.02838	6.9
137.05962	100.0
138.06346	1.1
139.05528	0.5
143.04906	2.0
144.05698	3.4
145.06499	3.0
146.07233	0.7
147.04401	1.5
147.07977	0.6
149.05965	4.8
151.03923	3.1
151.07524	6.5
153.05447	2.1
157.06461	6.2
158.07288	0.9
159.04372	0.8
159.07993	0.7
160.05208	4.9
161.05919	2.9
162.03122	0.9
163.07501	3.3
165.05470	5.0
165.06868	1.3
167.07039	1.2
168.05692	1.9
171.07909	0.7
172.05144	4.2
173.06003	1.3
174.06734	7.6
175.07532	18.7
177.05458	6.2
177.09079	2.5
178.07803	1.3
179.07048	4.1
181.06493	0.8
182.15407	3.2
184.05125	1.1
185.05942	1.2
187.07530	33.7
188.08163	0.7
189.09108	13.4
190.07753	1.7
191.06950	1.4
191.08549	3.4
193.10097	1.1
195.08109	0.8
196.05202	4.9
197.05986	3.1
199.07541	3.6
202.06210	0.6
202.07770	3.9
203.06812	1.2
203.08549	14.2
205.06451	2.9
205.08620	1.9
206.07326	1.2
207.08061	1.1
208.08810	1.0
210.06799	1.1
210.14842	3.5
211.07526	22.3
212.04720	1.9
212.08247	0.8
213.05443	3.8
217.06448	0.8
217.08566	12.7
217.10529	0.9
218.07228	1.7
218.66232	0.9
219.08038	9.0
220.08807	7.6
221.05960	1.2
221.09569	2.4
222.06764	1.3
223.07376	1.0
224.08368	1.3
225.05531	1.6
225.09068	1.4
227.06996	16.4
228.07715	2.7
230.07297	0.9
231.08031	15.0
232.08734	3.9
233.05969	3.1
233.09566	1.1
234.06686	1.7
235.07468	1.9
236.08298	2.7
237.09093	2.8
238.06403	0.6
239.07004	15.5
240.07790	15.4
241.04887	2.2
241.08488	2.3
245.09615	0.8
247.07533	5.7
248.08307	23.9
249.09047	3.6
250.06194	1.8
251.07144	0.8
251.10661	4.1
253.08624	2.1
253.12296	1.3
254.09349	1.8
255.06502	9.9
256.07297	8.6
259.07593	6.9
260.08279	2.9
261.05438	0.9
261.09079	2.1
262.06143	1.2
262.09787	1.2
263.07053	1.6
263.10632	20.6
264.07922	2.9
264.10663	0.6
265.08517	5.9
266.09177	0.7
268.07251	4.2
268.21472	1.4
268.71619	0.6
269.08130	1.8
270.08862	27.0
271.09628	41.8
272.09842	1.2
276.07803	12.4
276.38254	0.6
277.08502	6.4
278.05618	1.0
279.10162	10.1
280.10760	1.6
281.08047	2.1
281.11649	3.5
282.08792	1.4
283.09625	12.3
284.10187	1.0
285.11200	1.1
290.09293	0.8
291.10120	53.7
292.07703	1.0
292.10794	4.5
293.08090	6.4
293.11386	1.1
295.09653	1.7
295.13162	0.8
296.10382	5.2
297.11188	5.1
300.10004	1.4
305.11691	2.1
308.10391	8.7
309.07712	0.7
309.11154	3.2
311.09378	0.5
311.12698	9.8
313.14178	2.5
323.12741	36.3
324.12982	1.0
341.13776	22.3
342.14023	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1378
Annotation	Obovaten
Peak:m/z	Relative Intensity
51.92425	0.9
57.71090	0.9
66.73579	0.9
71.05090	2.9
91.05472	4.1
94.04180	2.8
103.05444	1.6
105.07004	4.5
109.06502	2.1
111.33401	1.0
115.05439	4.4
117.07026	1.6
119.08604	4.9
121.06499	1.2
122.03619	7.4
128.06197	2.9
129.06984	3.8
131.04872	1.5
132.05711	2.0
133.06454	4.0
134.03662	1.0
137.05963	100.0
138.06349	1.6
143.04924	1.2
145.06479	2.2
147.04367	1.9
147.08023	4.5
149.05930	1.3
155.04863	1.1
159.08018	2.3
160.05185	2.9
161.05954	11.2
169.94809	1.0
175.07529	37.8
187.07503	5.8
189.07040	1.5
189.09059	1.9
190.07732	3.9
191.08551	6.9
199.07513	8.3
202.07767	4.6
203.08551	5.7
208.08917	1.2
218.07236	2.1
219.08090	9.0
220.08705	2.5
231.08011	5.7
232.08865	1.5
235.07649	1.4
236.08322	2.8
237.08842	1.3
247.07561	4.4
248.08246	2.4
249.08971	1.4
251.10674	12.5
259.07468	3.1
260.08112	1.5
261.09189	1.2
263.10681	3.7
265.08438	1.7
276.07935	1.9
277.08646	2.7
279.10110	7.2
280.10947	1.5
291.10062	4.1
292.10837	3.9
311.12784	5.9
323.12738	2.1
341.13730	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.138
Annotation	Letestuianin A
Peak:m/z	Relative Intensity
50.19418	1.2
56.53039	1.3
65.67700	1.3
70.94511	2.0
70.94862	2.1
79.05476	1.9
85.60716	1.1
91.05437	5.8
94.04162	3.3
95.04972	1.7
105.07005	6.1
107.04932	4.4
115.05442	4.9
117.06983	2.9
119.04934	1.8
119.08583	3.3
122.03643	9.3
128.06204	4.2
129.06998	6.8
131.04922	3.4
132.05707	3.8
133.06458	5.1
137.05968	100.0
141.06918	1.7
144.05673	1.5
145.06473	3.4
146.03714	1.2
147.04398	2.6
147.08040	4.9
149.05960	2.7
151.04016	1.3
153.05423	1.5
153.06923	1.3
155.04874	2.5
157.06516	1.4
159.08026	5.3
160.05161	2.1
161.05974	14.6
162.06671	1.5
163.07513	1.7
165.06990	2.7
167.07045	6.8
171.08044	1.3
172.05154	1.1
175.07533	43.1
177.05450	1.2
177.09032	2.9
178.07741	1.8
179.06996	1.4
187.07559	16.3
189.06949	1.8
190.07776	5.2
191.08530	8.7
199.07564	8.5
202.07729	3.6
203.08513	9.3
205.06386	1.4
206.07272	2.6
208.08676	1.4
217.08517	1.5
218.07239	2.6
219.08018	12.0
220.08614	2.5
221.09558	4.5
223.07521	1.5
231.08008	7.5
232.08659	1.5
234.06773	2.6
235.07407	2.8
236.08083	1.7
237.09180	1.6
240.07837	3.1
241.62872	1.2
247.07520	5.1
248.08354	4.9
249.09082	5.6
251.07008	3.3
251.10634	13.1
257.08005	2.7
259.07568	2.8
263.10703	3.9
264.07828	1.8
265.08475	1.6
276.07858	2.1
277.08560	4.7
279.10159	9.2
280.10648	2.5
281.08319	1.3
281.11557	6.3
291.10129	8.5
292.10803	3.7
294.08765	1.5
300.09830	8.8
308.10309	1.4
309.11118	13.0
311.09305	2.1
311.12772	9.8
323.12665	4.5
326.11197	1.8
341.09775	1.5
341.13770	22.5
350.34729	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1379
Annotation	Letestuianin A
Peak:m/z	Relative Intensity
52.67653	1.1
59.81647	1.0
66.06865	1.0
71.04733	2.7
79.05486	2.9
81.07013	1.2
91.05470	9.8
92.09234	1.1
94.04141	2.5
103.05479	5.0
105.07027	11.3
107.04931	2.3
109.06497	1.2
115.05435	6.6
115.47720	1.3
117.07008	3.9
118.04135	1.2
119.04926	2.8
119.08591	5.7
121.06483	3.2
122.03636	5.9
128.06216	3.0
129.07008	3.8
131.04919	4.0
132.05687	4.7
133.06471	9.2
137.05963	100.0
138.06252	1.6
143.04913	1.4
144.05658	1.6
145.06470	4.3
147.04399	6.1
147.08020	5.4
149.06012	1.8
151.07529	2.6
155.04832	1.4
156.05579	1.2
157.06473	2.0
158.25620	1.0
159.08049	3.9
160.05177	3.6
161.05966	22.0
162.06700	1.2
163.07628	1.3
172.05173	3.8
175.07536	57.4
177.09116	5.4
185.06046	1.3
187.07527	13.2
189.09032	2.7
190.07750	2.9
191.08604	4.9
196.17691	1.1
199.07556	2.8
202.07701	1.8
203.08487	5.1
217.08563	4.4
219.08026	8.8
220.08759	3.7
231.08101	5.8
235.07632	1.5
236.08318	3.0
237.08936	1.3
247.07532	4.6
248.08331	3.5
249.09044	1.9
251.10585	9.0
257.25748	1.2
259.07596	3.5
260.08163	1.6
263.10754	3.1
276.07874	2.2
277.08691	1.9
279.10184	8.3
280.10547	1.8
291.10059	8.1
291.44592	1.1
291.67694	1.1
293.07776	1.8
309.11124	4.9
311.12729	11.1
323.12759	7.2
341.13754	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	341.1337
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	2.2
55.01865	2.5
55.05503	0.8
57.03428	3.0
59.04979	0.7
61.02913	0.7
61.82494	0.4
67.05489	1.1
69.03420	14.9
69.07046	0.5
70.06577	2.6
70.88242	0.5
71.01344	0.6
71.04991	5.5
71.74683	0.9
72.08134	1.4
72.71753	0.5
73.02905	1.1
75.04486	0.7
79.05476	1.5
81.02941	0.9
81.03408	17.8
81.07035	1.7
84.04512	0.7
84.08124	1.6
85.02902	1.2
86.09671	0.8
89.03928	0.7
91.05383	2.8
93.07018	1.4
94.04180	0.9
95.04929	0.9
95.08606	0.7
97.02857	0.8
97.06516	0.5
99.04441	6.8
103.05430	1.2
105.07011	6.9
106.06529	0.9
107.04922	1.2
107.08572	1.0
108.08080	0.6
109.02872	1.3
109.06514	0.9
109.10109	0.7
110.07173	0.7
117.03352	0.8
117.05463	1.4
119.04935	1.3
119.08550	1.0
121.06474	1.2
122.03609	0.8
123.04412	1.1
123.08052	0.7
127.03901	0.7
129.10208	0.5
130.04115	1.5
131.04890	1.5
131.08592	0.8
133.02820	2.9
133.06551	1.2
133.07585	5.6
133.08534	0.8
133.10101	5.4
134.06001	1.2
135.04393	1.7
135.09151	1.3
137.05949	9.6
137.09579	1.7
147.04373	2.2
147.08023	0.5
149.05934	1.1
150.06720	1.1
151.07591	0.7
151.11102	0.6
157.06538	0.6
161.05925	2.2
161.07083	10.9
161.09511	2.4
162.05498	0.9
162.06689	3.7
163.03864	1.3
163.07440	0.9
163.08653	6.6
164.05820	0.7
175.07497	1.1
177.05469	1.2
178.07425	1.0
179.01753	0.7
179.03377	12.8
179.08220	1.7
179.10580	2.4
187.07484	3.0
189.06569	8.0
189.09099	1.1
191.08160	5.9
202.07628	0.6
203.08456	1.4
205.06332	0.6
206.06966	0.5
207.07628	100.0
208.07968	2.0
211.07639	0.5
217.08549	1.0
219.07944	1.3
221.09552	0.6
226.40781	0.5
231.07919	1.6
235.07410	0.6
247.07384	0.8
248.08305	1.3
249.08711	1.9
259.07520	0.6
263.10675	1.1
266.48300	0.5
271.09650	0.5
276.07864	0.6
279.10117	0.7
291.06741	0.9
291.10132	3.1
293.08215	0.6
295.09863	0.5
305.11304	1.7
309.11075	0.6
311.12735	1.2
323.12375	35.9
324.12741	0.9
341.07175	3.1
341.13403	27.4
359.02789	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1015
Annotation	Cornigerone
Peak:m/z	Relative Intensity
50.29729	2.7
51.02390	3.2
51.62957	2.4
55.01868	66.0
55.05499	4.3
65.03921	4.7
70.06583	5.0
71.05013	3.0
71.33929	5.4
79.05476	8.9
81.07046	9.0
84.04503	3.2
84.08117	4.4
86.09702	5.0
91.05417	5.8
95.04977	4.0
95.08588	4.2
96.02113	3.9
103.05456	5.0
105.06999	15.9
107.04957	7.1
111.04453	17.9
115.05451	14.0
117.07053	3.5
119.08632	3.7
121.06472	5.8
122.03624	8.0
123.04396	5.9
125.06038	3.0
127.03899	3.0
127.56264	3.2
128.06241	4.8
129.06993	10.0
130.04120	4.0
131.04919	10.7
131.08606	3.5
133.02768	3.7
133.06473	25.8
135.04408	4.7
137.05956	66.7
139.03902	10.7
144.05746	3.9
145.06465	14.4
146.03529	4.2
146.07178	4.2
147.04373	6.5
147.08047	3.6
149.05980	5.1
151.03911	3.2
151.07579	7.2
152.06180	4.5
153.05536	5.1
153.06982	7.3
159.04378	4.0
159.08067	6.2
160.05176	3.6
161.05960	44.2
163.07494	4.2
165.05751	3.4
165.06975	13.7
167.07004	8.6
170.03726	3.0
171.04332	4.2
171.08014	4.8
173.05956	13.0
174.06781	10.7
175.07510	19.9
177.12752	7.9
178.07777	7.2
181.06473	19.6
182.07323	7.2
184.05156	4.3
185.06000	7.2
187.07512	20.3
189.05432	55.8
189.09215	6.9
190.06010	2.9
190.07765	3.3
191.08580	5.7
192.05638	5.3
193.06496	6.5
194.07162	4.2
196.05147	3.0
197.05989	4.8
198.06567	3.0
199.07507	6.8
199.55975	3.0
201.05453	29.5
202.06226	14.1
202.07880	4.4
203.06944	5.8
203.08597	7.0
205.06479	6.2
206.07312	6.9
207.08072	8.7
209.05963	10.8
210.06787	20.4
211.07523	11.2
213.05382	3.5
213.09029	4.0
217.08556	7.2
219.07994	11.6
220.05194	7.8
220.08839	5.0
221.05971	23.1
221.09515	4.9
222.06664	7.9
223.07503	6.7
224.08234	5.4
225.09116	12.4
226.06212	6.4
227.06966	21.9
231.07997	10.5
233.05893	3.4
234.06726	5.9
235.07541	16.4
236.08240	4.3
237.05511	17.0
238.06255	15.8
239.06978	10.9
240.07724	4.1
241.08582	6.4
243.06535	8.4
247.07420	4.2
248.04692	4.5
248.08279	7.6
249.05522	12.4
249.09035	11.3
250.06082	7.1
251.06992	12.8
252.07765	14.7
253.08572	52.6
254.09181	4.6
255.06491	32.1
256.07266	9.2
259.07449	4.7
262.06168	3.5
263.07053	35.3
263.10071	4.6
264.07867	7.0
265.04974	16.6
265.08572	3.2
266.05679	13.3
267.06458	19.8
267.10199	10.8
267.15948	5.0
269.08197	6.4
270.08914	11.3
271.09650	7.4
277.04974	8.1
277.08490	7.7
279.06485	7.9
279.10211	9.3
280.07294	27.4
281.08060	37.6
281.11337	6.4
282.08783	7.9
283.05957	14.9
283.09024	3.5
284.94583	2.9
285.11249	10.2
287.09219	5.5
291.06766	6.1
291.10110	18.0
292.07178	7.0
293.08167	5.4
295.06332	5.3
295.09680	21.0
298.08316	10.9
308.06976	4.8
308.10297	4.3
309.07550	54.5
309.11136	16.8
310.08316	18.9
313.10620	23.8
323.09116	34.6
323.12729	11.7
324.09424	3.1
326.07950	4.7
341.10156	100.0
341.13840	25.6
342.10590	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	341.1016
Annotation	Cornigerone
Peak:m/z	Relative Intensity
50.92488	0.7
51.11109	0.7
52.40986	0.9
57.07083	1.0
65.73052	0.8
71.03686	1.8
79.05508	1.4
81.03440	1.0
91.05420	1.4
93.06983	0.8
95.04968	1.4
95.06011	0.8
102.99595	0.9
104.08354	0.7
105.06999	1.4
107.04944	4.5
115.05360	1.3
120.08070	0.9
121.06448	1.1
122.03631	1.9
129.07034	0.9
131.04903	1.4
133.06468	1.0
135.04404	6.4
137.05965	19.3
143.04790	0.8
147.04393	10.8
148.05161	1.5
149.06010	1.0
151.03908	1.5
151.07468	1.1
154.26625	0.8
157.06458	1.0
159.04460	1.0
159.08020	0.9
161.05972	7.0
162.03120	1.7
163.03883	17.1
163.07536	1.0
171.20709	1.0
174.78409	0.8
175.03954	2.1
175.07541	6.3
176.04665	3.1
178.06230	7.7
181.06396	1.6
183.08017	1.0
185.05942	3.1
187.07518	3.6
191.07021	26.7
191.08698	1.9
192.07471	1.0
193.04889	1.3
199.07544	2.7
203.08495	1.5
209.05988	1.5
209.42590	0.8
210.06706	1.3
211.07486	2.8
213.05504	1.7
213.09052	2.8
219.08174	1.3
223.07649	1.4
224.08211	0.8
227.07004	4.1
231.08090	1.4
235.07437	1.3
237.05379	2.3
238.06172	4.3
239.06956	4.6
240.07790	1.3
241.04901	7.0
241.08565	2.1
242.05658	1.3
248.73508	0.8
251.06972	2.7
251.10616	1.7
252.07768	2.0
253.08589	2.8
254.05743	2.0
254.09384	1.8
255.06395	4.1
257.11639	5.0
263.07108	1.0
263.10574	1.2
265.04944	1.0
265.08606	1.1
266.05722	16.0
267.06497	8.9
269.08047	20.5
270.05295	1.0
270.08823	2.5
271.09656	1.9
277.08426	1.1
279.06317	1.0
279.10275	1.1
280.07364	2.6
280.19141	0.9
281.08066	21.2
281.11273	0.8
282.08777	3.5
283.05981	6.3
283.09082	1.6
284.06439	1.3
285.11414	1.2
291.10233	1.8
294.05252	1.6
295.05988	11.3
296.06418	1.1
297.07547	17.5
298.08383	8.5
299.08865	1.5
308.06888	1.1
309.07544	12.0
309.11182	2.1
310.08276	12.9
311.05444	2.9
311.08990	2.5
311.12601	1.5
313.10666	100.0
314.11008	5.2
323.12714	2.1
325.07092	1.2
326.07895	6.1
341.10144	60.2
341.13553	2.4
342.10410	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	340.2842
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	4.0
56.05013	3.7
57.07071	2.4
59.45299	1.0
59.64730	1.1
60.04520	100.0
67.05499	10.3
67.64493	1.1
69.07048	4.1
69.68585	1.0
70.06573	1.4
71.04301	2.6
72.04481	2.1
74.06056	2.1
78.91691	1.3
79.05462	7.1
80.04990	1.2
81.07052	10.3
83.08580	1.1
89.07472	1.1
90.05527	1.5
91.05450	8.7
93.07053	7.4
94.06593	1.7
95.08611	7.7
96.08100	1.6
105.06972	6.3
107.08572	3.2
109.10106	1.2
117.06982	1.9
119.08595	5.7
121.10128	7.7
122.09649	1.3
122.10449	2.6
129.07063	1.2
131.08600	1.4
133.10121	3.5
135.11685	1.6
137.05933	2.2
147.11655	3.8
148.11986	1.9
149.02330	6.5
161.13280	1.3
193.04961	5.1
226.00056	1.2
283.16806	3.5
284.17264	17.5
304.26254	6.8
322.27472	7.1
340.23965	2.4
340.28394	39.3
341.28769	1.5
359.02591	1.5
359.07516	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.284
Annotation	N-oleoyl glycine
Peak:m/z	Relative Intensity
55.05236	1.1
55.05504	18.4
56.05012	2.2
56.05829	1.9
57.03415	2.9
57.07072	6.9
60.04518	31.6
61.01121	0.8
64.46593	0.7
67.05499	16.5
68.05821	1.3
69.07059	30.4
70.07379	1.4
70.94031	1.7
71.04980	1.4
71.08617	4.7
79.05496	4.1
81.07046	21.2
82.07362	1.4
83.04951	1.3
83.08607	21.9
84.08927	0.9
85.10165	1.6
89.19469	0.8
91.05457	3.3
91.89513	0.7
93.07039	7.7
94.07338	1.4
95.08595	17.2
96.08923	2.2
97.06512	2.3
97.10152	10.4
98.10471	1.1
98.49496	0.8
105.07007	3.3
107.08569	4.5
109.10153	10.3
110.10478	1.1
111.08078	1.9
111.11697	4.9
119.08549	4.7
121.10114	5.2
122.10424	1.3
123.06464	0.8
123.08034	1.5
123.11691	2.7
128.14339	1.2
133.10110	3.5
135.11662	3.0
136.12013	1.4
137.05957	0.9
137.09552	2.7
139.11238	0.8
141.12842	0.8
142.15881	10.0
147.11665	3.6
149.13275	1.8
151.11090	1.5
151.14838	0.9
154.12216	4.1
161.13252	1.8
163.14828	1.5
168.17432	1.2
172.13283	3.1
175.14801	1.2
182.19051	1.1
184.16849	1.2
234.70648	0.7
245.22617	2.7
249.65976	0.7
263.23636	4.6
280.26276	10.4
298.27341	14.4
322.27386	3.0
340.28506	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.2114
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.9
55.01863	3.4
55.05507	15.4
57.03420	7.0
57.07078	2.2
58.02943	8.5
58.04200	13.1
58.06571	2.5
65.03935	3.5
67.05506	11.6
68.99754	3.2
69.03407	7.4
69.07058	10.4
69.56119	18.8
70.06229	2.3
70.06586	30.7
71.04965	5.7
72.08146	21.7
73.02518	3.4
73.02909	47.5
73.06547	4.9
78.69989	2.2
79.05475	10.7
80.05093	3.4
80.05500	18.5
81.03405	3.4
81.04501	3.4
81.07055	12.7
82.06535	3.2
82.13203	2.1
83.04949	4.0
83.08588	8.3
84.04484	3.1
84.08118	7.9
85.02889	3.1
85.06532	16.0
86.06054	4.9
86.09689	7.4
87.04461	10.6
89.06023	100.0
90.06345	4.9
91.05440	22.0
93.03399	4.0
93.07022	10.2
94.06548	2.5
95.04941	6.6
95.08588	9.0
96.08134	4.9
97.02835	3.2
97.06459	2.8
98.09674	4.2
98.21410	4.6
99.08089	2.5
100.07618	12.3
100.11242	18.6
101.05975	2.2
102.06805	15.6
103.05466	2.7
105.07019	23.2
107.04967	4.8
107.07072	5.3
107.08560	8.1
108.08096	4.7
109.10160	6.3
111.04410	5.6
111.07325	2.8
112.07594	3.5
114.05499	7.8
114.09148	28.0
116.07068	18.0
116.10701	3.7
117.06988	6.0
119.08575	81.4
119.09425	5.6
120.04399	2.9
120.08080	3.2
121.10106	6.9
123.04469	3.4
124.08076	4.7
126.09113	2.9
127.07558	15.9
128.07039	23.4
129.06978	4.6
130.08635	2.5
131.08531	6.2
133.08600	41.8
133.10097	25.2
135.04408	3.3
135.11658	4.2
136.07523	4.2
137.02316	9.2
137.06020	12.3
137.09613	3.7
142.08624	23.6
144.59238	2.5
144.97215	2.3
145.10117	2.7
146.09366	2.9
147.11676	5.7
149.05794	2.5
149.09602	3.9
149.13219	2.7
149.31796	2.2
150.12761	51.7
152.07074	7.9
154.08601	4.4
155.09921	3.3
161.06062	3.0
161.09579	6.5
164.10582	3.5
165.01802	7.1
175.07491	4.6
175.11162	16.1
177.05399	2.9
177.11214	8.7
177.12636	2.9
179.03386	11.7
179.10669	4.2
180.10143	17.2
182.15355	17.4
183.02965	3.4
187.07564	4.4
188.03395	6.7
193.12216	2.8
195.12541	54.3
196.13213	7.0
197.04250	2.2
199.18050	10.5
203.06961	2.5
205.01427	2.7
207.02843	5.3
208.13258	2.8
209.15248	3.5
210.14896	4.6
212.16400	3.2
226.10941	3.4
226.14409	12.8
231.07831	2.4
244.15334	5.4
248.08299	3.8
248.20084	2.8
252.19518	10.1
255.06523	2.7
264.15988	2.4
281.11554	3.2
290.17505	10.5
291.10150	5.5
294.18958	3.3
295.05899	4.8
299.05469	25.6
308.18512	9.9
309.11157	5.7
309.21683	9.4
311.05420	9.1
312.05820	4.7
313.07031	39.1
313.10834	3.8
322.20193	30.7
322.24091	3.4
322.28287	3.9
323.05487	5.3
323.12762	3.8
323.26657	5.4
340.05261	40.1
340.12207	4.2
340.20923	14.0
340.25583	15.5
341.06415	63.2
341.10419	26.4
341.14435	4.6
359.12204	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	340.1601
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95474	1.2
53.03927	5.4
54.25833	1.2
54.43468	1.3
55.01874	7.4
57.03428	6.3
61.02933	6.9
63.10483	1.4
67.05495	2.4
68.99764	3.2
69.03423	36.8
70.06598	8.3
70.06905	1.6
70.21401	4.0
71.04967	3.6
72.08141	4.6
73.02909	6.6
74.08594	1.3
79.05486	3.8
81.03416	24.2
81.07046	2.3
83.01302	1.9
83.04966	2.4
84.04482	5.0
84.08129	5.1
85.02901	100.0
86.09695	3.0
87.00825	41.4
87.04464	2.7
91.05455	3.3
93.03405	2.6
93.07040	3.1
95.04935	2.1
95.08577	1.6
97.02886	31.9
99.04444	12.7
100.11209	1.3
105.01862	76.1
105.07010	5.8
107.04925	2.5
107.08622	3.2
108.08128	1.8
109.02876	27.0
109.06470	2.2
110.07124	2.4
117.01824	3.2
119.04968	1.7
119.08596	3.1
120.08035	1.2
121.10124	2.8
123.04401	1.3
127.03912	66.8
129.01834	3.2
130.04990	2.5
131.04915	1.9
131.08539	2.3
133.10104	3.2
135.04375	2.1
136.06139	1.6
136.07614	1.4
137.02295	1.6
137.05966	19.2
141.03673	1.3
145.04948	30.8
147.02866	2.6
149.09616	2.0
151.03883	1.9
159.02901	12.8
159.07994	1.5
161.05956	3.3
161.07140	2.2
163.07576	2.6
167.07063	1.7
175.07520	3.3
177.16594	1.6
178.05850	1.7
179.03326	2.7
179.06879	1.5
187.07501	8.1
189.03914	3.5
189.09036	2.6
203.08539	3.9
207.02904	1.7
207.07648	14.4
211.13232	2.0
213.03871	3.3
217.08600	2.3
219.08125	2.7
231.05006	15.9
231.07321	2.4
231.07698	2.1
247.07570	2.2
248.08130	4.2
249.06100	4.4
249.09094	1.4
251.10693	1.6
259.07504	1.3
263.10672	4.5
279.10098	4.4
283.05963	2.5
291.10052	9.3
295.05869	1.8
305.12027	1.7
308.10495	1.9
311.05283	1.4
311.12662	3.1
312.06091	2.9
313.07083	2.3
322.20218	1.9
323.05774	2.2
323.12521	12.6
340.05432	5.0
340.17438	2.3
340.21222	16.0
341.06586	30.7
341.13684	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	339.2891
Annotation	Glycidyl oleate
Peak:m/z	Relative Intensity
53.03940	1.9
54.10773	1.0
55.01864	1.9
55.05506	51.5
57.03434	21.6
57.06807	1.2
57.07072	21.4
67.05141	1.8
67.05500	35.0
69.07062	70.4
69.74323	7.7
70.07404	1.3
71.04973	4.4
71.08626	11.3
74.97211	0.9
79.05485	17.2
81.07048	40.4
82.07383	1.6
83.04961	2.7
83.08612	42.0
85.06524	3.9
85.10178	5.7
87.94514	1.1
91.05456	3.7
93.07037	18.3
95.04956	2.8
95.08599	44.1
97.06525	8.0
97.10165	25.9
98.21425	1.8
99.08073	1.6
105.07015	2.2
107.08588	13.1
107.27968	0.9
108.37385	0.9
109.10147	20.1
111.08085	5.6
111.11695	7.2
112.76264	1.0
113.09595	1.5
119.08562	2.1
121.10122	18.5
123.08028	1.2
123.11707	6.5
125.09612	2.9
125.13281	2.8
133.10103	2.3
134.69284	0.9
135.04430	1.3
135.08012	1.2
135.11682	14.6
137.13252	2.9
139.11143	2.3
141.90797	0.9
145.10149	1.6
147.11671	2.4
149.05940	1.4
149.13242	5.5
151.14758	2.5
153.04205	0.9
153.12752	1.7
163.14795	2.7
165.16426	1.9
177.16508	1.7
181.15880	1.6
247.24184	6.2
265.25266	11.8
275.20041	6.0
293.21402	1.1
321.24304	1.1
339.28928	100.0
340.29227	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	340.1599
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92990	1.9
53.03929	4.8
55.01862	8.9
57.03407	6.9
61.02909	6.2
67.05484	2.2
68.99781	4.7
69.03424	34.8
70.06578	10.1
70.65578	2.1
70.65913	7.1
71.04975	2.7
72.08137	5.6
73.02913	6.7
74.03014	2.3
79.05473	5.3
81.03410	24.0
81.07049	3.1
84.04507	13.2
84.08125	5.9
85.02899	100.0
85.04006	5.5
86.06104	2.2
86.09698	4.1
87.00819	50.0
87.04440	3.1
91.05468	7.2
97.02885	30.2
99.04440	12.5
103.03908	2.6
105.01859	72.2
105.07025	6.0
107.04927	4.1
107.08580	2.6
109.02879	27.5
109.07625	3.2
109.82449	2.5
118.30100	2.2
120.08088	3.2
127.03899	65.7
129.01797	4.1
130.04967	3.9
131.04518	6.6
133.10089	3.1
137.05972	9.4
140.03342	2.6
145.04968	34.5
147.04375	3.4
147.09157	4.3
151.03941	2.9
153.06462	3.2
155.08167	2.7
159.02882	8.3
161.06067	4.2
162.03221	2.6
163.08670	3.1
167.07014	2.5
175.08644	6.3
176.68388	2.3
177.48383	2.5
178.08626	5.7
179.07089	2.3
181.06088	7.5
182.08130	5.3
187.07538	3.5
189.03847	4.0
191.03328	7.7
193.02792	5.9
211.03831	4.3
231.04987	16.8
249.06088	8.0
250.10837	2.4
251.10667	2.2
267.92200	2.6
268.11673	3.3
309.11636	2.3
313.07169	4.4
322.06937	3.3
340.05365	4.5
340.13785	4.6
341.06473	25.5
341.13547	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2891
Annotation	Glycidyl oleate
Peak:m/z	Relative Intensity
53.03928	1.3
55.01868	0.3
55.05508	30.1
57.03166	0.6
57.03433	10.3
57.06805	0.6
57.07071	10.1
59.69783	0.3
65.03904	0.6
66.62645	0.3
67.05500	18.8
67.99023	0.3
68.05818	0.4
69.07063	36.3
69.14126	0.3
70.07395	0.4
70.12559	1.9
71.04971	1.2
71.08626	4.6
76.67450	0.4
79.05486	8.2
81.03391	0.4
81.07050	20.4
83.04964	0.9
83.06096	0.3
83.08613	23.2
84.37987	0.3
85.06535	0.8
85.10175	2.6
91.05476	1.9
93.07040	9.7
95.04997	0.4
95.08599	19.4
97.06527	3.3
97.10163	11.7
97.10801	0.5
99.08061	0.6
105.07040	0.5
107.08578	5.5
109.10150	9.5
111.08077	2.1
111.11732	2.7
121.10139	8.6
123.11685	2.4
125.09617	0.5
125.13287	0.5
133.10179	0.4
135.04358	0.7
135.11687	6.3
137.13272	0.9
139.11171	0.9
147.11581	0.3
149.05969	0.6
149.13269	2.7
151.14822	0.7
153.12688	0.7
163.14772	1.1
165.16386	0.9
191.17972	0.4
192.15099	0.4
193.04849	0.4
218.24467	0.5
226.08990	0.4
247.24150	1.4
265.25311	2.2
283.16806	0.4
339.28922	100.0
340.29266	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	339.2528
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37299	1.1
53.03938	3.2
55.01857	3.2
55.05508	52.6
57.03427	2.5
57.07062	5.6
58.99577	1.5
59.04984	2.0
65.03934	2.1
67.05497	22.2
68.05830	1.3
69.03416	8.9
69.07064	29.4
70.06590	3.0
70.07961	4.8
71.04989	8.4
72.08156	2.8
79.05489	15.0
80.05016	6.1
81.03421	9.0
81.07051	42.5
82.06567	1.5
83.04977	4.9
83.08606	7.9
84.04505	5.9
84.08132	3.3
85.02898	3.7
85.06535	4.9
86.09693	1.9
87.04443	2.1
87.08089	1.8
89.03897	1.2
91.05476	14.6
93.07040	27.1
95.04962	13.4
95.08603	44.8
97.06517	7.4
97.10162	100.0
98.10504	2.0
99.04460	2.2
99.08064	3.4
101.05998	2.1
103.05447	2.5
105.03387	1.4
105.07028	18.1
106.06517	1.5
107.04958	2.5
107.08582	22.8
108.08133	1.9
109.02886	3.6
109.06512	6.0
109.10150	33.3
111.04435	2.7
111.08072	5.4
111.11663	1.8
113.05988	2.1
113.09648	3.6
115.05505	1.4
117.03370	1.8
117.06997	3.8
118.06537	2.5
119.08580	16.4
120.08073	1.9
121.02876	1.8
121.06506	3.7
121.10143	15.8
123.08060	3.5
123.11711	12.6
125.09624	20.7
129.06989	1.8
130.05013	6.2
130.95541	1.1
131.04955	2.3
131.08556	5.4
132.08061	1.3
133.10127	10.7
134.05951	1.3
135.04384	3.7
135.08041	4.7
135.11696	11.9
137.05974	8.3
137.09613	25.9
137.13274	4.2
139.11166	3.4
141.09096	1.9
143.08575	2.4
143.10666	46.5
145.02866	3.0
145.10141	6.6
146.06024	4.4
147.04399	1.5
147.08032	1.8
147.11678	8.9
149.05974	5.1
149.09607	3.0
149.13237	6.9
151.07541	2.7
151.11172	4.4
151.14804	2.0
153.09203	1.3
153.12721	4.3
155.10675	2.3
157.10144	2.9
159.11710	5.5
160.11261	2.7
161.05981	2.1
161.09601	1.8
161.11816	1.1
161.13254	7.9
163.11191	2.9
163.14803	2.8
164.07088	4.0
165.05577	1.2
165.07027	2.8
165.09116	35.2
165.12732	4.2
167.10670	2.0
169.10080	1.3
171.10097	4.0
171.11531	1.7
173.05898	1.4
173.13293	4.0
174.12781	1.4
175.11243	1.4
175.14839	3.5
176.14325	2.0
177.05504	5.6
177.09091	2.0
177.12756	3.2
178.15990	1.5
179.10643	3.0
183.10173	2.5
183.11685	1.9
187.11119	1.4
187.14810	3.8
189.07050	2.6
189.11211	14.2
189.16338	2.2
190.07758	2.0
191.08510	2.9
192.06543	21.5
192.13831	6.4
201.16248	1.3
204.10196	1.6
205.06482	2.5
207.08104	1.9
209.15361	1.2
210.14879	16.9
211.07576	1.3
211.15004	1.7
215.06906	1.3
218.07239	3.6
219.08093	7.8
221.00800	2.8
221.05994	2.0
229.15935	1.5
230.15492	1.4
235.07495	3.5
235.16982	1.7
236.08350	4.9
237.08977	2.1
243.21114	1.2
246.06761	3.1
247.07574	7.3
247.17006	1.6
248.08051	1.6
249.05353	1.7
251.10715	3.4
257.22495	2.2
258.14923	7.9
261.09146	3.9
263.06989	3.3
264.07813	7.1
265.08444	3.5
275.06982	3.6
275.17459	2.3
275.23758	2.1
276.15979	11.9
276.19244	1.8
277.08749	2.5
277.21692	1.9
278.09491	3.3
279.10220	7.4
279.96780	1.2
281.07977	3.1
283.06000	2.9
285.22153	3.4
291.06607	1.8
292.07397	3.4
293.07883	1.5
293.18591	3.3
293.24673	1.2
295.09558	1.4
296.10443	2.4
298.04376	1.2
303.23163	14.1
304.15353	4.8
307.09631	14.0
308.10120	3.3
309.24271	3.2
311.12772	11.1
311.16162	1.6
321.11237	4.0
321.18069	2.9
321.24237	21.9
322.16644	2.4
325.10648	3.0
339.05157	18.0
339.12250	30.5
339.17755	13.3
339.25699	8.1
340.05161	2.3
340.12778	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	339.2527
Annotation	11,12-DHET
Peak:m/z	Relative Intensity
53.03938	4.6
55.05505	20.5
57.03426	8.2
57.07058	4.9
62.06077	7.4
65.03950	2.7
67.05497	97.6
69.03400	4.2
69.07046	15.6
70.06581	3.3
70.19028	12.1
70.19444	5.0
71.04977	5.3
71.08611	3.9
72.08169	2.6
79.05481	43.8
81.03403	9.3
81.07047	100.0
82.07336	3.5
83.04956	4.3
83.08607	9.0
85.06538	4.8
91.05467	32.3
93.07030	71.8
95.04955	7.8
95.08591	89.3
97.06530	5.5
97.10134	5.9
99.08098	5.6
105.07024	28.2
107.08585	46.7
109.02882	2.8
109.06491	3.7
109.10143	54.3
111.08060	3.7
111.11636	3.2
117.06998	11.6
119.08570	22.6
121.10127	45.8
123.11689	24.2
129.07005	2.8
131.08536	23.0
133.10129	21.2
135.11679	37.0
137.13274	4.1
145.10106	23.7
147.11659	14.0
149.05966	9.3
149.09557	3.8
149.13254	19.4
151.11163	5.2
159.11658	30.3
161.13257	4.8
163.14822	4.9
173.13261	15.2
187.14719	4.8
191.14189	3.2
219.21071	4.8
229.19519	24.0
230.22858	3.1
247.20531	93.7
265.21497	4.9
279.70261	2.6
289.18039	3.4
317.19739	4.0
321.24216	4.4
322.27240	7.9
339.18817	5.9
339.25552	21.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2528
Annotation	11,12-DHET
Peak:m/z	Relative Intensity
53.03928	3.2
55.05509	21.5
55.19119	3.1
56.23566	3.4
57.03424	9.1
57.07068	6.1
60.97405	3.0
65.03934	4.5
65.35675	3.6
67.05499	92.6
69.03439	4.9
69.07065	19.2
70.65514	13.3
71.04993	4.8
79.05488	60.6
81.03395	8.7
81.07047	100.0
83.04979	7.5
83.08607	11.0
85.02869	4.0
85.06522	3.8
87.57605	3.2
88.73524	3.4
91.05449	31.0
93.07037	79.1
95.04963	8.3
95.08599	91.7
95.32658	3.3
97.06534	6.0
97.10144	6.6
99.08051	4.8
99.95208	3.3
105.07024	32.1
107.08587	63.1
109.06490	6.1
109.10155	52.1
114.50396	3.6
117.07003	11.6
119.04972	3.6
119.08564	33.6
121.10141	50.2
123.08037	4.2
123.11686	21.2
131.08556	24.7
133.06392	4.1
133.10094	24.1
135.04419	7.3
135.11678	41.6
137.13336	4.3
145.10123	24.6
147.11658	23.9
149.05992	9.9
149.13242	20.1
151.73300	3.2
159.11673	22.8
161.13219	5.3
163.14883	7.4
173.13272	11.2
175.14778	3.9
187.14725	4.2
219.21101	3.9
229.19446	26.2
239.24930	3.3
247.20554	99.0
248.20993	4.6
283.16840	12.7
321.24432	7.9
339.17972	7.5
339.25250	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	339.2527
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	5.6
55.01855	11.0
55.05506	49.5
57.03443	19.0
57.07080	16.0
64.38542	3.1
67.05499	62.2
68.05833	3.9
69.03425	7.0
69.07063	69.9
69.86333	6.8
69.86739	18.2
71.04989	9.8
71.08624	10.7
79.05489	28.4
81.07053	88.4
82.07408	5.0
83.04968	8.6
83.08611	44.7
83.19733	2.9
85.06557	3.2
85.10165	5.1
89.10631	3.1
91.05466	24.6
93.07027	42.7
95.04961	9.0
95.08602	60.6
96.08942	7.1
97.06529	14.7
97.10145	16.4
98.21431	5.7
99.08083	5.8
105.07021	19.5
107.08608	27.9
109.06518	5.7
109.10165	31.0
111.08083	4.8
117.06999	5.3
119.08582	17.6
121.06552	4.4
121.10117	22.1
123.08071	5.1
123.11678	10.8
125.09634	4.3
131.08536	9.3
133.06555	4.7
133.10123	20.5
134.10516	3.5
135.04414	4.0
135.08080	4.6
135.11711	17.7
139.11169	5.4
139.67656	3.5
143.08571	4.0
145.10085	8.3
147.11665	11.2
149.05974	9.0
149.09628	6.3
149.13242	8.9
151.11166	6.9
153.09132	4.7
153.12758	3.8
159.11670	9.2
161.09772	3.1
163.07552	3.8
163.11166	7.1
165.12677	3.0
173.13243	6.6
177.12784	3.4
193.04712	3.4
207.13737	3.1
215.49556	3.3
229.19548	5.9
247.20555	12.2
257.19141	7.9
263.20081	7.3
275.20032	27.7
293.21112	27.5
315.05011	3.3
321.24142	7.6
339.15860	4.4
339.28922	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2527
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	5.6
55.01855	11.0
55.05506	49.5
57.03443	19.0
57.07080	16.0
64.38542	3.1
67.05499	62.2
68.05833	3.9
69.03425	7.0
69.07063	69.9
69.86333	6.8
69.86739	18.2
71.04989	9.8
71.08624	10.7
79.05489	28.4
81.07053	88.4
82.07408	5.0
83.04968	8.6
83.08611	44.7
83.19733	2.9
85.06557	3.2
85.10165	5.1
89.10631	3.1
91.05466	24.6
93.07027	42.7
95.04961	9.0
95.08602	60.6
96.08942	7.1
97.06529	14.7
97.10145	16.4
98.21431	5.7
99.08083	5.8
105.07021	19.5
107.08608	27.9
109.06518	5.7
109.10165	31.0
111.08083	4.8
117.06999	5.3
119.08582	17.6
121.06552	4.4
121.10117	22.1
123.08071	5.1
123.11678	10.8
125.09634	4.3
131.08536	9.3
133.06555	4.7
133.10123	20.5
134.10516	3.5
135.04414	4.0
135.08080	4.6
135.11711	17.7
139.11169	5.4
139.67656	3.5
143.08571	4.0
145.10085	8.3
147.11665	11.2
149.05974	9.0
149.09628	6.3
149.13242	8.9
151.11166	6.9
153.09132	4.7
153.12758	3.8
159.11670	9.2
161.09772	3.1
163.07552	3.8
163.11166	7.1
165.12677	3.0
173.13243	6.6
177.12784	3.4
193.04712	3.4
207.13737	3.1
215.49556	3.3
229.19548	5.9
247.20555	12.2
257.19141	7.9
263.20081	7.3
275.20032	27.7
293.21112	27.5
315.05011	3.3
321.24142	7.6
339.15860	4.4
339.28922	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2527
Annotation	11-deoxy-PGE1
Peak:m/z	Relative Intensity
55.01868	17.5
55.05509	70.3
56.05803	2.2
57.03431	6.3
57.07059	2.6
57.25432	2.3
67.05499	40.9
69.03432	5.2
69.07063	21.1
71.04974	5.4
71.17411	3.4
71.17751	3.3
79.05491	36.0
81.03410	5.5
81.07049	34.8
83.04974	26.6
83.08613	42.9
85.02900	9.0
85.06510	5.2
91.05472	25.2
93.07037	39.3
95.04962	93.4
95.08593	22.8
96.05315	2.7
97.06535	9.1
97.10161	27.0
99.04448	6.8
104.55032	2.4
105.07016	28.5
106.07302	2.3
107.04957	9.7
107.08593	43.7
109.06522	7.2
109.10139	13.3
111.04438	28.8
111.08081	10.5
117.07029	7.7
119.08586	19.2
121.06511	9.5
121.10132	28.4
123.08115	5.7
125.06051	2.3
125.09626	33.2
129.07047	2.2
131.08562	19.5
133.10132	10.0
135.08060	10.3
135.11670	11.9
137.09634	4.1
139.11284	2.9
143.10680	2.7
145.10101	29.5
147.08058	7.2
147.11690	8.8
149.09621	46.3
153.09105	3.9
153.12746	15.5
159.11699	8.1
161.09633	2.7
163.11180	34.6
171.10153	2.7
171.11595	4.1
173.09624	3.7
173.11760	2.8
173.13214	4.0
177.12720	4.9
181.12202	13.7
183.11641	3.0
187.11166	5.1
189.11223	28.4
191.10658	7.6
193.74341	2.6
205.12202	6.9
211.13347	3.2
217.14345	3.0
219.13695	2.3
223.13275	84.5
224.13649	4.0
227.12773	8.0
229.19487	3.7
237.14842	3.0
239.17949	5.9
242.78831	2.5
247.20691	4.2
251.16348	3.9
257.19199	10.5
275.20044	100.0
276.20334	6.0
293.21094	93.9
293.24524	2.7
294.21411	4.9
321.24323	12.5
339.25372	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	339.2526
Annotation	Sclerophytin A
Peak:m/z	Relative Intensity
50.65723	5.0
52.74927	5.5
55.01861	20.1
55.05497	29.0
57.03434	8.1
59.22463	4.8
60.19680	5.7
67.05493	50.8
69.07063	41.7
69.76049	33.8
71.08621	7.5
73.80410	6.3
79.05496	39.2
81.06611	7.4
81.07053	100.0
83.04959	18.6
83.08609	32.3
91.05474	28.5
93.07026	38.6
95.04967	24.1
95.08613	38.0
97.06524	36.0
97.10178	13.3
98.21406	12.5
99.08089	14.9
100.41843	4.6
105.07018	40.9
107.04947	11.5
107.08585	28.8
109.06498	15.3
109.10138	17.6
117.07006	12.1
119.08578	17.2
121.06574	5.5
121.10146	13.4
123.08064	13.7
123.11671	5.8
125.09606	8.2
126.48997	5.7
126.86034	5.4
130.96959	6.1
131.08568	20.8
133.10118	26.8
135.08041	13.0
135.11687	14.0
147.11690	23.5
149.09595	12.5
149.80396	5.6
159.11644	13.4
163.11211	8.9
165.12746	10.5
177.12732	11.4
189.12654	7.1
230.55612	5.4
247.20544	8.6
257.18887	9.3
268.68936	6.6
275.20056	65.6
293.21045	37.1
321.24231	16.7
339.28717	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	339.2527
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03917	5.4
55.01850	11.8
55.05507	63.4
57.03432	12.0
57.07076	12.1
63.60204	4.6
67.05500	83.8
69.07061	78.7
69.64178	22.0
69.64606	17.7
71.04968	5.5
71.08620	10.5
73.17199	4.7
79.05476	44.8
81.03412	8.1
81.07045	100.0
83.04962	10.2
83.08611	41.5
85.02885	5.0
85.06528	7.6
91.05470	43.2
93.07040	52.6
95.04953	19.8
95.08603	68.0
95.43796	4.6
97.06530	22.7
97.10163	12.7
105.07014	38.2
107.04974	8.5
107.08569	34.3
108.08916	5.8
109.06517	12.8
109.10150	30.7
111.04396	5.8
111.08073	12.0
112.07512	5.4
117.06989	15.4
119.08585	24.9
121.10126	30.5
123.08057	8.7
123.11723	9.3
125.09615	9.6
131.08542	18.8
133.10103	18.4
135.04353	8.7
135.08020	5.9
135.11646	24.4
137.09592	6.2
145.10094	18.8
147.11655	17.0
149.05949	9.7
149.09608	21.2
149.13216	8.1
159.11697	8.6
161.13419	6.0
163.11200	9.8
165.12718	9.4
173.13304	8.1
175.11264	7.0
177.12756	10.6
178.71700	5.0
249.79033	5.8
275.20093	54.3
293.21158	42.1
321.24054	24.0
339.28949	81.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2528
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46701	6.2
53.03934	8.9
55.01864	15.6
55.05511	61.5
57.03422	18.2
57.07055	10.1
59.36578	5.1
61.86378	5.0
64.65938	4.8
67.05493	83.6
69.07067	67.0
69.49518	55.4
70.27225	5.1
71.04973	9.6
71.08624	6.9
78.55470	5.8
79.05492	41.3
81.03423	10.5
81.07049	100.0
83.04971	16.5
83.08623	47.0
85.06552	5.7
91.05468	44.6
93.07037	40.4
95.04931	31.9
95.08600	76.7
95.42992	4.7
97.06519	19.9
97.10148	12.7
99.08037	6.5
103.57314	5.2
105.06995	32.9
107.04966	11.3
107.08572	29.4
109.06499	12.8
109.10139	24.6
111.04443	7.3
111.08088	8.9
117.06993	9.9
119.08562	21.9
121.06506	6.0
121.10135	21.8
123.08061	18.7
123.11665	11.4
131.08559	20.9
133.10098	25.4
135.04463	5.9
135.08037	13.6
135.11650	15.9
137.09595	5.8
139.07510	7.8
143.08551	5.6
145.10118	17.0
147.11681	24.4
149.05946	8.7
149.09651	18.8
149.13235	9.2
157.10081	8.4
159.11671	10.7
163.11188	10.5
165.12782	8.9
171.11678	5.6
171.19008	5.4
173.13211	7.1
177.12741	8.4
229.19521	6.4
247.20674	8.5
249.40091	5.6
257.19012	7.3
275.20032	66.4
293.21100	50.5
321.24182	24.9
328.55457	6.3
339.28851	54.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2527
Annotation	11,12-DHET
Peak:m/z	Relative Intensity
52.49040	1.4
53.03929	3.4
55.01872	4.7
55.05505	28.8
56.05043	2.1
56.96557	2.1
57.03422	5.3
57.07071	7.0
59.05003	1.9
62.06084	3.9
65.03948	1.6
67.05497	40.7
69.03419	10.1
69.06731	2.6
69.07063	25.8
70.06580	4.5
70.91202	4.6
71.04990	9.3
72.08141	4.4
73.40223	1.5
77.15405	1.3
79.05070	2.1
79.05488	18.9
81.03408	6.1
81.07047	81.0
83.04986	8.8
83.08611	8.0
84.04498	6.6
84.08131	2.3
85.02867	2.6
85.06522	7.2
87.04472	1.4
91.05468	23.8
93.03431	1.9
93.07034	39.9
95.04955	22.7
95.08595	78.9
97.02859	2.2
97.06520	7.0
97.10159	25.9
98.97619	1.4
99.04441	2.3
99.08083	2.7
100.46918	1.4
101.05999	1.7
103.05490	2.5
105.03420	1.7
105.07027	23.2
105.09782	1.5
107.04910	3.5
107.08580	27.5
109.02862	2.6
109.06525	9.1
109.10144	64.9
111.04411	3.6
111.08078	6.2
111.11690	3.3
113.06023	2.4
113.09659	2.1
115.05437	3.4
116.01706	1.8
117.03377	2.0
117.07021	4.5
119.04950	3.3
119.08566	24.2
121.06502	7.2
121.10129	26.4
122.90407	1.5
123.08063	5.8
123.11690	52.6
124.12085	1.6
125.05997	5.9
125.09628	9.6
127.07515	1.6
129.06949	1.9
130.04980	4.3
130.06516	5.1
131.04842	2.6
131.08583	6.9
133.10124	13.0
135.04373	4.3
135.08057	4.6
135.11681	14.2
137.06010	9.1
137.09601	59.8
137.13248	5.1
138.09964	1.7
139.07547	3.2
139.11203	4.9
139.83400	1.6
140.11520	1.5
143.08510	1.8
143.10669	6.7
143.99611	1.6
145.02841	1.4
145.10085	7.0
145.99313	1.4
147.08015	6.7
147.11658	12.7
149.01205	2.2
149.05995	6.6
149.09610	3.4
149.13235	7.8
151.03943	1.6
151.07591	4.0
151.11189	6.6
151.14847	1.8
151.61597	1.8
153.05421	3.5
153.12750	4.3
155.10643	10.0
157.07635	5.4
157.10101	2.4
157.12228	2.4
158.06035	4.2
159.08011	1.9
159.09180	3.3
159.11668	7.5
161.05937	3.2
161.09641	2.7
161.13246	6.6
163.07565	1.5
163.11156	4.0
163.14809	3.5
165.05482	2.9
165.09097	100.0
165.12755	3.7
166.09451	2.8
167.03506	2.3
173.11899	1.8
173.13274	4.6
175.07419	3.3
175.08754	3.0
175.11191	3.2
175.14786	5.7
177.05496	7.2
177.09120	1.8
177.12708	2.5
177.16364	3.1
178.05800	1.7
179.08539	2.4
179.10626	4.2
183.10207	9.3
187.14789	4.0
189.07001	2.5
189.16396	2.9
190.07767	3.5
191.08545	4.3
193.15929	2.5
195.17487	1.7
201.11230	5.0
201.16417	1.9
202.07742	1.5
203.08238	4.7
203.14369	1.8
203.17952	1.8
205.01390	3.3
205.06464	3.9
206.07227	1.5
207.07990	3.9
208.08722	2.0
209.15390	2.3
217.06659	1.5
217.12106	1.8
218.07187	3.1
219.08058	10.7
220.08647	1.6
221.05934	4.2
221.09344	4.0
233.06036	3.1
233.09608	2.4
234.06784	1.6
235.07463	8.5
235.17126	1.8
236.08026	6.4
244.09671	9.1
244.59776	2.2
245.05806	1.7
246.06769	1.6
247.07523	6.0
248.08014	2.3
249.05493	2.4
249.09059	3.5
251.10699	5.1
253.08647	2.0
257.22580	2.2
261.09042	3.6
263.07120	5.4
264.07751	8.7
265.08466	6.2
275.07004	5.2
275.23801	2.1
277.08530	3.3
278.09250	3.0
279.10095	11.4
280.10822	3.2
281.08081	4.7
281.11292	1.4
285.22162	2.7
289.08688	1.6
292.07068	3.3
293.08087	4.3
293.24805	2.2
294.08789	1.6
295.10184	1.9
296.10410	2.2
303.23065	13.6
306.08783	2.0
307.09619	19.3
308.10211	6.2
309.07639	1.7
309.11160	2.1
311.05527	2.5
311.09338	2.5
311.12695	18.0
312.13223	2.2
321.07776	3.0
321.11295	5.3
321.24219	23.7
322.24881	1.9
324.09781	2.8
325.12228	1.8
325.62347	2.3
339.04935	11.1
339.08597	17.1
339.12274	43.4
339.17310	8.6
339.25385	16.3
340.09186	2.6
340.12735	9.1
340.16769	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2165
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03909	5.3
55.01871	7.5
55.05503	35.1
57.03429	6.4
57.07073	9.7
59.04997	5.4
67.05499	26.9
69.03416	12.2
69.07058	11.3
71.02139	6.2
71.02473	9.7
79.05486	22.1
81.03407	13.4
81.07047	43.6
83.04946	6.5
83.08620	26.9
91.05473	41.1
93.07037	41.2
95.04932	6.3
95.08603	17.7
97.06538	5.8
97.10154	38.6
105.07021	23.7
107.08564	22.4
109.02896	5.0
109.06507	9.5
109.10133	13.5
111.04428	5.1
117.07004	15.5
119.04939	6.8
119.08568	59.1
121.06428	7.5
121.10139	25.0
125.09615	67.6
131.08528	7.6
133.06465	8.4
133.10114	22.1
135.04401	9.2
135.08017	24.1
137.05948	4.3
137.09625	6.8
145.06409	6.1
145.10115	10.4
147.07954	8.0
147.11649	29.7
149.05974	18.1
149.09642	4.5
153.09076	10.0
157.10121	5.1
159.08031	80.3
159.11621	8.4
161.09549	5.4
163.07530	5.1
163.11099	4.6
173.09659	7.6
173.13329	4.9
174.34587	4.4
175.07669	4.2
175.11162	16.3
177.12794	5.0
185.09592	4.1
189.11166	16.7
217.12263	5.0
253.15892	11.8
271.16895	42.6
283.16919	100.0
284.17239	6.0
289.17868	35.0
307.19272	5.5
316.25052	4.3
339.17615	7.0
339.23047	18.2
339.27310	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	339.2529
Annotation	11,12-DHET
Peak:m/z	Relative Intensity
53.03935	1.7
55.01862	1.3
55.05508	48.6
57.01974	0.6
57.03426	1.1
57.07064	2.1
58.99573	1.3
67.05495	10.5
69.03426	1.9
69.07065	19.7
69.50087	0.9
69.50501	5.6
70.06615	0.7
70.40211	0.7
71.04975	1.9
72.08125	1.1
73.02892	0.9
73.06545	0.9
76.78984	0.6
79.05485	6.8
81.03400	5.4
81.07053	25.7
83.04971	2.4
83.08627	5.5
84.04501	1.2
85.02904	0.9
85.06530	2.8
87.08078	1.2
91.05482	4.9
93.07039	10.3
95.04960	2.9
95.08598	33.3
97.06519	2.4
97.10162	100.0
98.10466	0.8
99.08054	1.6
101.06022	2.0
105.03371	0.6
105.07030	9.4
107.04971	1.0
107.08576	9.8
109.02879	1.8
109.06512	1.8
109.10149	11.7
111.08099	1.9
111.11711	2.0
113.40239	0.6
113.72375	0.6
116.01646	0.8
117.03370	0.8
117.06992	1.4
119.08584	8.0
121.10138	7.6
123.08082	1.5
123.11710	5.8
125.09624	18.3
126.07542	0.6
127.03963	0.7
129.07086	1.1
131.08569	2.1
133.10135	3.9
134.09608	1.5
135.04417	1.1
135.08089	0.8
135.11693	6.0
137.05992	1.5
137.09615	1.9
137.13235	1.3
139.11159	4.3
141.09113	1.5
143.10667	41.3
144.11050	1.0
145.02869	1.1
145.10127	3.1
147.11699	4.2
149.06006	1.7
149.09607	0.8
149.13275	4.2
151.07520	0.8
151.11212	1.7
151.14803	3.7
157.12236	1.5
159.11711	3.6
161.02274	0.7
161.09605	1.0
161.13255	4.9
163.11168	1.0
163.14781	1.3
165.09100	0.9
165.12758	2.6
171.10175	3.1
173.13286	1.7
175.07597	0.9
175.14825	1.9
176.14355	2.9
177.01833	1.2
177.05508	1.9
177.12732	1.9
177.15068	1.3
178.15953	2.3
179.14330	2.5
187.14835	2.2
189.06923	0.7
189.11214	8.0
191.08536	1.2
191.14188	0.8
195.13834	1.5
201.16377	0.9
205.01234	0.8
205.15894	1.0
211.14832	0.8
213.16385	1.0
218.07358	0.8
219.08029	2.3
221.15405	0.7
224.84164	0.6
235.07552	1.8
236.08264	1.3
236.14693	1.2
247.07584	2.7
251.07632	0.7
251.10707	1.4
261.09116	1.0
263.07104	1.5
263.37875	0.7
264.07843	1.7
265.08453	0.9
275.23724	0.8
277.21695	1.6
279.10306	2.1
281.08188	0.8
285.22006	0.7
293.24713	1.1
303.23135	6.8
307.09686	4.8
308.10391	1.0
309.24207	0.8
311.05472	4.1
311.12646	3.7
312.05899	0.6
321.24222	19.9
322.24567	1.6
324.10077	0.7
339.05063	14.3
339.12317	8.2
339.17493	6.8
339.25476	4.5
340.05368	1.9
340.12885	1.3
340.18240	0.9
340.25723	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14049	0.9
53.03927	1.7
55.01857	2.7
55.05503	1.5
57.03450	1.0
65.03928	1.5
67.05492	2.5
67.29698	1.0
69.03417	2.6
69.07063	1.5
70.06580	4.5
71.71916	1.6
72.08157	2.1
79.05481	5.3
81.03408	1.5
81.07055	7.4
84.04481	3.0
84.08139	4.3
85.02885	3.6
86.09709	1.6
91.05460	8.2
93.07042	2.6
94.06560	3.6
95.04967	2.9
95.08633	1.0
95.67090	0.9
96.04474	1.0
96.08131	3.4
97.02870	2.2
105.07004	2.0
106.06522	1.1
107.04926	1.3
108.08142	1.8
109.06506	2.3
109.10122	1.0
110.06036	9.1
118.04029	0.9
119.04937	7.5
120.04442	1.4
120.08079	2.3
122.06027	21.6
123.06783	3.7
124.07588	17.8
127.03903	1.5
133.06470	1.3
134.06001	23.3
135.04367	2.0
136.07567	82.0
137.07950	2.5
138.05548	1.0
140.07039	7.8
140.20631	0.9
144.08107	1.2
145.02812	1.1
147.04387	23.9
148.04875	1.5
148.06160	2.1
148.07574	1.5
149.05995	2.9
150.05510	5.7
152.07057	89.2
153.07411	1.2
154.08659	1.2
158.06073	1.2
158.08037	1.2
159.06361	2.3
160.07578	1.5
161.05952	1.6
163.03883	1.6
164.07060	100.0
165.07500	1.7
166.08589	1.8
167.26251	1.0
168.06561	2.7
170.08118	9.6
172.05066	1.6
172.07613	1.8
172.11145	1.9
173.05965	1.4
177.05403	1.6
182.08118	27.6
182.09705	2.1
188.06973	1.5
190.06059	1.0
190.08620	2.2
194.05478	1.0
200.10742	2.5
203.03317	1.3
205.09799	1.1
206.05763	1.6
207.06549	3.5
208.08279	3.2
214.12299	1.4
218.05685	2.8
218.07941	1.6
222.05119	1.0
232.13397	1.3
233.07967	1.5
236.06590	1.3
242.11693	2.3
246.05141	3.3
260.12839	5.5
275.09351	1.3
279.09805	3.3
285.12341	3.1
303.07828	2.2
303.13379	57.2
307.09384	1.8
321.08359	2.9
321.14474	14.3
339.07217	2.2
339.11548	7.3
339.15533	5.9
339.19016	2.2
340.17621	1.3
345.34705	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.6
55.01856	1.6
55.05494	1.1
57.03433	1.0
60.04490	1.1
67.05490	2.9
69.03431	1.3
69.77834	0.9
70.06571	4.0
70.48290	1.7
70.48676	1.7
72.08149	1.6
73.36835	0.8
79.05498	5.2
81.03403	1.6
81.07053	7.6
82.06549	1.8
84.04495	2.2
84.08138	2.0
85.02904	3.0
86.09685	2.1
91.05452	5.5
93.05753	1.0
93.07052	2.2
94.06549	3.7
95.01278	0.9
95.04944	2.2
95.08604	0.9
96.08112	3.3
96.93663	0.9
97.02895	1.0
99.10611	1.0
106.06541	1.4
106.53037	0.8
107.04901	0.9
107.07342	1.0
107.08520	0.8
107.28976	1.0
108.08115	4.9
109.06458	1.7
110.06026	7.6
112.07622	1.1
119.04958	5.0
119.08579	2.9
120.04459	1.6
120.08118	1.7
122.06010	21.3
122.06855	1.7
123.06810	2.8
124.07585	19.4
124.11137	1.0
130.04974	6.5
134.05998	20.9
136.07562	81.6
137.07921	1.4
140.07066	6.7
147.04395	15.0
149.05965	2.1
150.05515	8.3
152.07054	100.0
153.07344	1.4
158.08063	1.8
163.03908	1.5
164.07051	96.6
165.07407	2.6
166.08612	1.9
166.12268	6.1
168.06566	3.1
170.08131	15.6
172.07491	1.3
177.05486	1.9
182.08112	27.7
192.44542	0.9
200.10645	1.7
203.03511	1.1
210.14943	3.1
214.12192	2.3
232.13345	2.4
242.11693	2.6
260.12811	5.6
279.09811	2.1
285.12192	2.1
295.16528	1.2
303.13354	57.2
304.13641	3.1
321.14465	12.4
337.39841	0.9
339.12137	4.6
339.15503	2.4
339.18909	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	339.1549
Annotation	Nicotine glucuronide
Peak:m/z	Relative Intensity
51.13366	0.6
55.01849	1.5
55.05508	1.0
56.96553	0.9
59.63233	0.6
60.04509	0.8
69.03423	1.4
70.06573	2.9
70.63219	1.4
70.63615	1.4
72.08150	1.3
73.02899	1.1
76.10149	0.8
81.03408	1.4
84.04501	1.7
84.08131	3.3
85.02888	2.9
85.08922	1.6
91.05467	6.4
91.46725	0.6
93.07034	0.8
95.04999	0.8
105.03384	0.7
108.08105	0.8
110.07155	1.4
112.11268	0.8
119.04924	13.2
120.08130	0.8
122.06049	1.1
123.21624	0.6
124.07609	0.8
126.90000	0.7
129.10274	0.7
131.08580	1.1
134.06020	1.2
135.04433	2.0
136.07553	2.8
147.04402	38.3
148.04817	1.4
149.05927	2.3
152.07022	3.3
159.09222	0.7
161.10748	1.4
162.11749	0.9
163.03882	2.2
164.07085	2.5
166.12341	1.1
170.08017	0.8
173.10725	1.4
177.06664	0.9
187.08682	1.3
187.12294	1.5
188.09521	0.7
188.13104	1.4
189.10275	1.7
190.08681	1.0
200.09431	3.0
201.10231	2.8
203.03455	1.2
203.11803	1.2
204.06557	1.6
207.06653	0.8
207.11287	15.7
213.10234	0.9
214.11044	2.0
215.08107	1.1
215.11751	3.1
216.12596	2.8
218.10410	1.7
219.11266	5.3
220.12001	3.7
221.12843	1.9
229.09700	1.0
229.13316	8.8
231.11252	0.8
232.11903	0.8
233.09198	2.4
233.12743	4.6
234.13513	0.9
243.10992	0.8
247.10782	1.2
247.11920	0.9
247.14377	8.1
248.11398	1.0
257.12842	9.5
258.11237	1.2
262.13181	0.8
265.11838	0.9
275.13849	11.6
277.15320	1.1
279.09799	1.3
285.12292	3.7
293.14978	6.7
294.18692	0.8
303.13379	15.3
321.14429	36.0
322.09225	1.2
339.07550	4.3
339.12054	4.2
339.15488	100.0
340.15567	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	339.1224
Annotation	Vitrofolal A
Peak:m/z	Relative Intensity
53.70388	0.9
55.01865	2.3
55.05502	1.4
61.09830	0.7
62.98359	0.7
65.03941	1.1
70.06580	0.9
71.75768	1.7
79.05472	1.9
81.03403	1.6
81.07043	1.3
84.08133	1.3
85.02903	1.1
91.05477	2.9
95.04967	1.1
96.14371	0.8
100.11229	3.2
105.07020	2.0
107.04935	2.1
109.06444	0.9
110.03640	2.3
115.05447	1.0
117.06995	0.9
118.04132	1.2
119.04910	1.3
122.03648	1.2
123.04446	0.9
125.05981	1.8
128.06238	1.2
129.07059	0.9
131.04984	1.4
131.08578	1.0
132.05661	0.9
135.04388	1.7
137.05954	11.3
145.06454	1.0
149.05972	2.7
151.03905	2.4
153.05490	1.7
155.04895	1.0
158.06041	1.6
159.06445	1.2
159.08054	4.8
161.06010	2.1
162.06758	1.4
165.05563	1.5
165.06938	3.2
167.07063	1.4
169.06468	1.0
171.04440	1.3
171.07997	0.8
172.05200	1.1
175.07553	1.8
177.05426	2.4
178.07767	2.4
179.08510	2.8
180.09428	0.9
181.06435	0.9
182.07190	1.0
183.04396	1.2
185.05954	5.1
186.06728	2.4
187.07564	2.6
189.05524	1.5
189.06999	4.1
190.07755	5.5
191.08525	5.0
193.06444	3.4
195.08020	2.0
197.09602	1.0
202.07803	2.8
203.08501	3.2
204.05678	1.3
205.06538	4.2
206.07350	2.6
207.08057	6.7
208.08798	4.6
209.16423	1.1
210.06807	1.2
215.06903	2.2
217.06511	1.1
218.07278	9.2
219.08028	18.2
220.05209	1.2
220.08824	5.1
221.05951	10.3
221.09520	4.9
222.06570	1.8
223.07422	1.4
225.09114	2.7
229.08603	1.3
231.08023	1.7
232.08797	0.9
233.05916	2.6
233.09625	3.4
234.06732	5.4
235.07515	18.1
236.08293	14.6
237.08961	4.5
238.06136	2.0
239.06898	1.7
246.06799	3.4
247.07558	8.9
248.08272	5.6
249.05505	5.7
249.09055	5.9
250.06230	3.8
250.09851	3.7
251.06911	2.5
251.10658	15.8
252.07895	0.8
253.08557	6.4
261.09100	3.4
262.06287	1.5
263.06976	9.6
264.07813	16.0
265.08591	14.8
266.05795	2.3
266.09195	1.9
267.06430	0.9
267.10193	1.8
274.06238	1.8
275.07025	4.1
276.07858	1.2
277.05896	1.1
277.08469	4.2
278.09430	6.2
279.06830	1.4
279.10098	14.4
280.07953	1.1
280.10883	4.8
281.08118	18.9
281.11163	1.3
282.08606	1.0
286.01672	1.0
289.08609	2.4
290.09305	1.2
291.06473	1.4
291.10254	1.2
292.07312	3.0
293.07950	3.2
293.11078	1.1
294.08734	1.9
295.09531	2.2
296.10391	5.7
297.11166	1.7
306.08847	2.0
307.09619	25.6
308.10367	6.1
309.07651	1.4
309.11029	1.9
311.12747	100.0
312.12997	4.2
321.11111	5.7
323.09235	1.3
324.09903	5.0
325.10837	0.9
339.12241	90.3
340.12741	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1224
Annotation	Vitrofolal A
Peak:m/z	Relative Intensity
53.03930	0.8
55.01864	1.4
55.05520	1.1
56.05024	2.6
56.11951	0.8
61.01134	2.0
65.03933	3.4
67.05497	1.7
67.53114	0.9
69.52975	8.9
70.06583	1.8
72.08150	1.0
79.05505	1.7
82.04235	0.9
83.19941	0.8
84.04488	1.4
84.08150	1.2
91.05479	3.3
93.03430	1.0
93.07008	1.5
94.04182	1.3
95.04951	1.6
95.08598	1.0
95.52022	0.9
100.11250	1.1
103.05462	3.0
104.05325	3.5
105.07021	1.8
106.06508	3.1
107.04948	3.3
109.02879	0.9
109.06509	1.1
110.03658	2.3
111.04420	4.1
115.05444	2.0
118.06492	1.2
120.08089	6.5
121.01054	1.4
121.02750	0.9
121.10137	1.0
122.03638	2.7
125.05939	4.9
129.07005	2.3
130.06526	1.3
131.04900	3.0
131.08536	1.3
135.04378	1.7
137.05957	23.6
143.04910	1.6
144.05690	2.5
145.06476	3.4
146.06302	2.2
147.04436	1.2
149.05965	4.2
151.03908	9.0
151.04996	1.9
153.05492	6.2
155.04869	2.3
157.06566	0.9
159.08043	8.5
161.05992	2.7
164.05276	1.7
165.05475	2.4
165.07016	3.7
165.12799	1.0
166.08649	5.2
167.07062	2.1
167.08536	1.0
170.03554	1.1
171.04414	2.8
175.07512	3.6
177.05482	2.1
177.06914	1.7
178.07765	4.4
179.08507	4.0
181.06462	1.3
185.05965	6.1
186.06734	3.8
187.07477	5.4
189.05417	1.8
189.06931	7.7
190.07730	8.5
191.08476	9.3
193.06470	3.6
194.07312	1.7
195.08026	1.9
202.07774	4.2
203.08565	4.9
205.06500	7.1
206.07259	6.7
207.08000	11.0
208.08815	7.0
210.06819	1.7
214.06212	1.1
215.06895	2.2
215.08675	2.4
217.06503	3.0
218.07219	12.9
219.08015	23.2
220.05266	2.2
220.08792	8.4
221.05946	12.9
221.09549	6.2
222.06610	2.4
223.07487	2.5
224.08183	1.4
225.09099	3.2
229.08585	3.6
231.08072	3.9
232.08830	1.9
233.05907	3.8
233.09659	3.6
234.06740	5.3
235.07510	22.8
236.08258	19.6
237.09023	6.0
238.06268	3.2
239.07117	1.2
243.08069	2.0
245.06052	1.2
246.06738	6.5
247.07504	14.3
248.08313	5.8
249.05481	4.9
249.09077	9.8
250.06352	4.3
250.09842	4.6
251.07018	4.0
251.10634	20.6
252.07730	2.0
253.08618	7.3
257.05875	0.9
259.07645	1.6
261.09094	10.1
263.06998	12.4
264.07776	22.9
265.08548	15.6
266.05737	2.5
266.09106	1.7
267.10156	1.7
275.07059	4.7
276.07660	2.0
277.05673	1.3
277.08551	8.0
278.09341	9.1
279.06842	2.0
279.10065	21.3
280.07751	1.0
280.10828	5.5
281.08078	19.7
281.11194	2.0
282.08627	1.8
283.13239	1.8
289.08582	3.5
290.09125	1.0
291.06445	1.2
292.07373	5.6
292.10577	0.9
293.08038	5.7
293.11072	1.2
294.08847	2.3
295.09644	3.6
296.07428	1.3
296.10251	6.0
297.11279	3.3
306.08850	2.0
307.09589	32.7
308.10330	6.4
309.07559	1.8
309.10962	2.3
311.12735	96.7
312.13086	5.1
321.11227	15.7
322.11707	2.1
323.08905	1.6
324.09967	5.3
339.12259	100.0
340.12961	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	339.1224
Annotation	Demethoxycurcumin
Peak:m/z	Relative Intensity
53.03939	1.9
55.01869	1.3
55.02145	0.6
57.03431	0.6
65.03933	3.8
67.05492	1.6
68.99794	1.3
69.03416	3.9
70.06583	2.4
70.18577	1.9
70.18983	1.2
71.04984	1.3
72.08130	0.7
72.54028	0.6
78.63327	0.6
79.05482	2.7
79.74103	0.6
81.03416	7.3
81.07050	0.8
84.04501	0.5
84.08129	1.8
85.02903	3.4
86.09676	1.3
87.00845	1.0
91.05471	90.8
92.05811	1.7
94.04198	3.2
95.04963	1.8
99.04445	1.4
103.05453	10.7
105.03363	2.7
105.07027	4.7
105.48190	0.5
107.04943	1.7
108.02090	0.6
109.02882	5.2
109.06514	0.8
110.07185	0.8
111.04443	0.7
115.05415	3.0
116.06252	1.0
117.07005	0.9
119.04939	1.0
120.08085	1.5
122.03639	8.6
123.04358	0.7
127.03905	6.4
127.05400	0.7
129.03380	0.6
131.04921	11.8
132.05719	0.7
133.06471	4.0
135.04391	1.9
137.05963	100.0
138.06308	2.5
141.05443	1.2
143.04909	1.7
144.05717	2.8
145.02846	1.0
145.06363	0.6
146.03636	0.8
147.04449	0.9
149.05954	2.0
151.03902	32.1
151.04996	2.7
151.07501	0.6
152.04251	0.9
155.04919	10.1
157.06482	0.9
159.04396	1.0
159.08055	1.2
161.05972	4.1
163.03961	1.4
163.07535	7.0
164.65474	0.6
172.05153	4.0
176.01082	1.3
177.05420	1.7
181.04964	1.4
183.04408	5.1
184.05090	0.8
187.07504	9.4
189.05444	11.6
189.06967	1.0
190.07773	1.8
191.03363	3.9
191.08522	1.3
200.04695	7.5
201.07010	1.4
202.07704	0.8
205.06384	1.1
207.06497	4.5
207.08009	1.2
209.04471	0.7
215.07002	18.3
216.07266	0.7
217.11986	0.8
218.07227	4.7
219.02823	2.0
219.08041	2.6
229.06447	6.0
231.04855	0.6
231.08005	1.3
233.09508	1.1
234.06764	0.8
235.07516	3.4
236.08238	1.1
237.08919	1.0
245.05904	0.8
246.06755	8.2
247.07474	4.3
249.09009	1.2
250.09869	0.8
251.10632	0.6
257.05899	4.6
258.06546	1.0
261.09097	8.2
262.09494	1.3
263.06985	6.0
264.07791	2.6
265.08563	6.2
267.03265	1.2
267.06351	1.5
271.07330	0.7
274.06238	4.5
275.07013	3.3
277.08545	2.0
278.05698	14.5
278.09241	3.0
279.06396	1.0
279.10068	2.0
280.11032	0.7
281.08054	1.6
282.08780	0.9
289.08557	15.1
290.09164	1.6
291.06488	5.8
292.07349	4.2
293.08160	4.3
293.11075	1.0
297.11069	1.5
303.06528	3.4
303.09671	0.7
306.08813	7.0
307.09573	4.5
309.07520	0.8
311.12762	2.3
321.07477	26.1
321.11160	33.4
322.07849	2.3
322.11478	1.9
339.08478	7.6
339.12219	15.9
340.08749	0.7
340.12692	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1224
Annotation	Vitrofolal A
Peak:m/z	Relative Intensity
55.01867	1.4
65.03922	2.1
67.05485	2.0
69.94300	1.9
69.94709	5.3
70.06550	1.2
75.18185	1.0
77.53389	1.0
79.05466	2.2
81.03397	1.3
85.02885	3.6
85.97939	1.0
91.05468	2.8
93.07004	1.0
95.04965	2.0
105.07040	1.9
107.04952	5.3
110.03647	2.5
111.04428	3.5
115.05414	2.4
119.08554	1.3
125.05963	4.3
128.06183	1.5
129.06953	1.5
131.04903	2.5
133.06471	1.7
137.05992	5.6
143.04890	1.4
145.06458	4.1
146.07185	1.4
149.05939	2.8
153.05481	3.1
159.06342	0.9
159.06822	0.9
159.08084	10.1
160.70825	1.2
161.05934	2.7
164.06361	0.9
165.05675	1.5
165.07001	3.9
166.07698	1.3
167.07095	1.2
168.05789	1.2
171.04349	2.4
175.07474	2.1
177.05516	1.9
177.06993	2.1
178.07790	6.5
179.08528	3.0
181.06468	2.0
185.05945	4.5
186.06708	5.4
187.07468	1.2
189.06941	7.2
190.07759	10.3
191.08533	15.2
193.06494	6.4
194.07230	2.1
195.08017	1.4
199.03920	2.4
202.07755	3.6
203.08517	3.7
204.05728	1.9
205.06468	7.5
206.07211	4.7
207.08038	11.4
208.08771	9.3
209.09395	1.8
210.06754	2.1
211.07507	2.3
214.06224	9.5
217.06398	1.6
218.07198	15.2
219.08008	30.8
220.05280	1.5
220.08806	14.4
221.05960	15.5
221.09454	5.3
222.06654	3.5
223.07448	3.2
225.09100	3.7
229.06427	1.9
229.08597	19.5
231.08051	1.8
233.05908	3.4
233.09589	3.4
234.06787	5.5
235.07495	27.0
236.08273	23.7
237.08975	5.7
238.06313	2.1
245.05948	1.1
246.06696	5.5
247.07507	20.9
248.08282	7.0
249.05380	6.1
249.09055	7.5
250.06174	6.3
250.09834	4.6
251.07047	2.5
251.10649	37.9
252.07764	1.4
253.08566	6.7
261.09036	4.8
262.06180	2.9
263.07010	17.1
264.07785	36.5
264.10516	2.4
265.08511	17.3
266.05661	1.8
266.09000	1.5
274.06271	1.4
275.07028	7.9
277.05701	1.9
277.08585	10.4
278.06100	1.6
278.09335	10.8
279.07108	1.0
279.10117	29.0
280.10776	4.9
281.08057	16.4
283.13226	1.8
289.08591	4.0
291.06476	1.7
292.07294	8.1
293.08044	10.7
294.08716	1.4
295.09518	2.3
296.10388	3.4
306.08804	3.4
307.09607	73.6
308.10278	16.2
309.07660	2.1
309.10910	2.1
311.12720	71.5
312.13242	3.3
321.11166	4.7
322.11880	1.2
323.09103	2.1
324.09729	6.0
325.10446	1.6
339.12241	100.0
340.12680	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	339.1071
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02362	0.1
52.66216	0.1
53.03941	1.9
53.65368	0.1
55.01862	0.7
55.05491	0.2
57.03424	0.6
61.02909	0.3
63.02392	0.2
65.03929	3.2
67.01837	0.2
67.05486	0.5
67.43744	0.1
68.99805	0.7
69.03420	4.8
70.06577	0.5
71.01337	0.2
71.04989	1.1
71.74969	0.2
73.02899	0.2
79.05480	0.3
80.68726	0.1
81.03409	11.6
83.01320	0.2
83.04961	0.5
84.08131	0.5
85.02895	3.7
87.00820	1.6
91.05469	100.0
92.05801	2.3
93.03381	0.2
93.07024	0.2
94.94193	0.1
95.04960	0.6
97.02879	1.7
98.03221	0.1
99.04440	2.6
103.05447	0.6
105.01849	0.3
105.03394	0.4
105.07012	0.7
107.04942	0.6
109.02863	8.8
111.04439	1.0
115.03892	0.2
115.05431	0.3
117.06966	0.7
118.04137	0.1
119.04924	0.4
119.08640	0.2
120.08070	0.2
121.02880	0.2
122.03671	0.2
123.04426	0.5
125.02339	0.7
127.03898	9.2
128.04251	0.3
128.06183	0.4
129.05449	0.4
129.06970	0.3
131.04895	0.7
133.06494	0.4
135.04414	0.4
135.08040	0.3
137.05954	3.5
137.06999	0.2
139.03905	0.2
143.03360	0.1
143.08524	0.4
145.04819	0.2
145.06488	0.5
147.04427	0.4
149.05969	0.4
151.03886	1.9
151.05023	0.2
153.06973	0.2
155.04868	0.5
157.06468	0.2
161.05989	0.4
163.03865	0.4
163.07507	0.5
169.04964	0.2
171.08095	0.4
175.07579	0.3
177.05370	0.3
181.06483	0.2
187.07535	0.3
189.03949	0.2
189.05440	0.8
191.03397	0.4
191.08661	0.2
193.05035	0.2
199.07561	0.3
200.04572	0.2
207.06485	0.4
213.03961	0.4
215.07098	0.5
217.05017	0.2
217.08601	0.5
218.07256	0.3
219.02853	0.3
219.07870	0.1
229.06668	0.2
231.04947	0.7
241.22644	0.2
246.06723	0.3
247.07614	0.2
257.05865	0.2
261.09106	0.3
263.06949	0.3
264.07706	0.4
265.08658	0.7
278.05698	1.5
281.08066	0.3
289.08609	0.5
291.06467	0.4
292.07297	0.4
293.08060	0.7
303.06476	0.3
306.08835	0.2
307.09726	0.3
321.07562	3.0
321.11276	1.3
322.07846	0.3
339.08304	1.4
339.12350	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.086
Annotation	Landomycinone
Peak:m/z	Relative Intensity
53.03934	1.2
55.01869	0.9
55.05489	0.4
55.85098	0.3
57.03440	0.6
61.02919	0.6
65.03932	2.9
65.27528	0.4
67.05508	2.7
67.73003	0.4
68.99786	0.9
69.03420	2.7
69.07066	0.4
69.75609	2.5
70.06570	0.8
71.04990	0.8
72.08149	1.2
79.05479	1.4
81.03417	4.8
81.07070	0.3
81.83974	0.3
83.05002	0.4
84.08146	0.7
85.02901	2.8
87.00836	0.7
89.03927	0.7
91.05475	69.5
92.24110	0.4
93.06946	0.4
95.04964	3.1
95.08630	0.4
97.02875	0.5
98.21474	0.4
99.04455	1.6
103.05456	1.0
105.03389	11.9
105.07039	0.7
105.63434	0.3
107.04942	1.3
109.02862	3.3
109.10168	0.4
111.04398	0.6
115.05451	0.4
117.03403	0.5
117.06982	0.3
119.04920	0.8
119.08605	0.5
121.02859	0.9
123.04447	1.0
127.03912	4.8
127.84145	0.3
129.03355	3.0
129.06967	0.5
131.04950	0.6
133.06438	0.5
135.04420	1.9
137.02322	0.4
145.02837	1.1
147.04398	1.2
148.01607	0.4
149.02321	0.7
149.05988	0.4
151.11250	0.3
157.54134	0.3
163.03906	3.3
163.85217	0.4
165.01807	0.5
167.03305	0.5
173.02353	3.2
175.03847	0.5
176.01045	4.4
177.01842	0.3
179.03400	1.0
180.04153	0.6
181.04962	5.0
187.03931	0.5
189.01877	0.6
190.02602	1.2
191.03384	14.5
191.08557	0.4
194.02083	3.7
198.20424	0.3
201.01831	1.0
207.02914	1.1
208.03712	0.6
209.04428	2.8
218.07303	0.3
219.02898	5.8
219.08005	0.7
221.06061	0.4
231.04875	0.4
235.07610	0.4
236.08266	0.6
237.03864	0.6
237.09061	1.0
239.06960	0.5
247.07475	1.6
250.06210	1.1
253.08612	0.5
263.06982	1.9
264.07776	4.0
265.08606	18.1
266.09039	0.5
267.06445	3.4
268.07260	1.6
275.06976	4.4
277.04916	0.5
278.05728	52.2
279.03534	0.5
279.06290	2.8
281.08075	7.0
282.08743	1.5
291.06482	6.3
292.07278	8.8
293.08063	18.4
303.06497	13.5
304.06818	0.8
309.07553	0.6
311.09152	0.5
321.07562	100.0
322.07880	3.7
339.08618	36.7
340.08957	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	338.2798
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	1.8
57.03437	0.4
59.04996	1.0
63.58661	0.4
67.04239	0.5
67.05502	1.0
69.03439	0.6
69.07062	1.0
70.06588	1.7
71.04987	0.4
71.73345	0.7
72.08147	100.0
73.08478	0.7
79.05488	1.1
80.05009	1.1
81.04533	0.9
81.07053	1.6
82.06572	20.7
84.04481	1.0
84.08133	20.7
86.09737	0.4
91.05477	1.3
93.07046	1.1
94.06577	0.8
95.04948	0.7
95.08614	1.3
96.08125	1.8
97.08904	1.1
98.09733	0.5
102.79078	0.4
105.07027	1.1
107.08578	0.9
108.08103	4.2
109.10160	0.5
109.47736	0.4
110.09669	1.4
111.30990	0.4
112.11230	6.1
119.08575	0.8
120.08105	2.7
121.10141	0.6
122.05952	0.4
122.09644	0.9
129.06990	0.5
130.05016	0.5
133.10092	0.6
136.07622	0.7
152.47281	0.4
159.11705	0.5
177.05466	0.5
206.15309	0.6
224.16431	43.3
225.16913	1.0
226.17859	1.8
227.56256	0.4
232.16977	1.6
249.19574	0.6
250.17935	3.3
252.19580	0.5
267.20654	9.3
269.22256	2.0
282.08273	0.6
309.07339	0.5
310.07993	1.0
311.05542	0.5
321.25345	25.5
322.25790	1.1
338.07364	3.1
338.27982	34.4
339.05005	0.8
339.08548	1.7
339.12326	0.5
339.28235	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.0711
Annotation	Unknow
Peak:m/z	Relative Intensity
54.33544	0.8
55.01851	1.6
56.96545	0.8
57.03432	2.5
58.18421	0.9
62.54701	0.9
69.03399	2.2
70.06577	2.8
72.08158	1.3
73.02905	1.4
79.05482	2.7
81.03405	1.8
81.07034	1.2
83.95213	1.0
84.04505	6.0
84.08130	2.9
85.02898	8.8
86.06052	3.2
86.09692	1.3
89.03909	5.1
91.05476	7.4
93.07036	1.5
95.01301	3.1
95.04961	1.1
95.08578	1.4
97.02918	2.0
97.06558	1.0
101.07108	1.1
102.05533	2.7
103.05463	1.1
107.04936	2.7
108.08103	4.1
110.06071	1.5
110.09670	4.1
111.04390	1.1
117.03362	4.4
119.04922	8.1
119.08554	2.2
120.08120	1.1
121.02823	1.3
122.06003	3.7
123.04407	3.0
124.07594	3.7
124.11227	1.0
127.03920	1.0
129.06982	1.2
130.04994	23.6
130.06482	1.1
131.04951	1.9
134.05960	1.7
134.09676	1.6
135.04407	22.3
136.07568	9.6
137.05959	1.3
137.08325	1.7
140.07091	0.9
141.01842	1.7
145.02834	6.9
147.04395	52.4
147.07639	1.8
148.04755	2.0
149.02319	3.2
149.05974	2.2
150.05473	1.0
152.07053	10.2
159.04366	2.0
159.06372	1.8
161.05931	1.5
162.03151	1.0
163.03894	99.3
164.04297	1.4
164.07014	9.3
165.05426	1.3
166.12265	18.5
171.04387	1.2
172.07639	1.9
175.03914	3.6
176.07021	6.1
177.01836	3.9
177.04008	2.2
177.05470	3.3
177.07437	9.5
178.04965	1.7
179.05264	2.4
182.08118	3.4
187.03899	2.8
189.05435	1.5
191.03380	1.9
192.13901	1.2
195.03004	1.6
203.03378	100.0
204.03735	1.6
205.04903	4.5
206.04497	2.6
207.04826	4.1
210.14865	16.7
213.05466	1.2
215.03395	5.0
219.02934	1.4
229.04855	2.0
231.02856	14.5
233.04443	3.8
236.12781	1.7
241.05138	1.2
261.03983	7.6
278.13904	2.1
279.04956	8.1
279.09793	2.4
291.04944	4.9
295.16544	1.2
303.13480	5.4
321.14719	1.8
321.18152	1.5
322.16519	4.8
339.07712	6.3
339.12518	5.0
339.15802	1.6
339.19131	29.5
339.23245	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	338.2684
Annotation	Melophlin H
Peak:m/z	Relative Intensity
52.13913	1.0
53.03933	1.3
55.05508	17.5
57.03426	6.2
57.06882	0.8
57.07068	8.6
67.05497	54.2
68.05825	3.9
69.07059	24.0
69.71768	3.1
69.72201	3.4
70.07397	1.5
71.08620	3.8
76.03995	100.0
79.05476	15.9
81.07047	58.8
81.07543	2.1
82.07380	4.0
83.08619	17.1
84.08957	1.4
85.02889	1.1
85.06550	1.6
85.10172	2.5
90.59607	1.0
91.05463	10.5
93.07030	18.3
94.07394	1.4
95.08598	52.9
96.08918	4.9
97.06527	5.9
97.10158	10.0
98.20654	0.9
99.08092	1.8
104.24773	1.0
105.07011	6.7
106.07343	1.1
107.08580	12.5
108.08949	1.1
109.10154	23.8
110.10480	2.5
111.08092	3.0
111.11677	2.4
115.47372	1.1
119.08549	7.8
119.09268	0.9
120.08886	1.0
121.10128	13.1
123.11704	11.7
125.09641	1.3
125.13348	1.1
130.06538	1.5
133.10110	9.5
134.10486	1.2
135.11670	7.3
137.13246	4.9
147.11668	5.6
149.05960	1.2
149.13237	6.1
151.14859	2.9
158.06007	15.6
161.13225	6.6
163.14775	5.4
165.16415	2.8
175.14833	3.6
176.07088	2.9
177.16379	1.5
179.17970	3.0
181.15805	1.3
189.16360	2.3
195.92261	1.1
200.07149	1.0
203.17909	1.3
245.22600	16.7
246.22946	1.4
263.23679	19.6
264.24002	1.5
265.25381	1.1
292.26379	6.7
338.11880	1.2
338.27237	30.6
338.34140	2.2
339.28958	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	338.2686
Annotation	Melophlin I
Peak:m/z	Relative Intensity
53.03930	1.0
54.47809	0.7
55.01852	2.6
55.05510	7.4
57.03422	1.1
57.07070	1.9
62.06084	94.2
65.03928	0.9
67.05497	12.4
69.03420	1.2
69.07062	5.0
70.02985	0.8
70.30711	1.4
70.31113	2.4
71.04974	1.1
71.08253	1.9
71.08625	26.7
79.05486	14.0
81.03389	2.6
81.07044	18.0
82.07390	1.2
83.04965	2.7
83.08619	4.6
84.04517	1.4
85.06532	1.4
91.05464	8.5
93.07038	15.6
95.04947	2.9
95.08602	13.0
97.06526	2.5
97.10164	1.4
98.06055	3.2
99.04465	1.0
99.08087	17.4
100.07736	0.8
105.07018	7.9
107.04929	1.4
107.08589	7.7
109.06526	1.6
109.10127	4.2
111.08037	1.0
117.06987	2.8
119.08591	6.1
121.10126	5.6
123.08024	0.9
125.09618	1.0
129.07010	1.2
131.08566	2.7
133.10135	4.7
135.11705	5.7
136.70877	0.8
143.10677	0.9
145.10104	2.9
147.11685	2.1
149.13217	1.7
151.11127	6.4
153.09019	1.0
157.10068	1.1
160.13300	1.0
161.13252	5.0
163.11176	3.6
165.12714	1.4
167.10645	0.9
171.11702	1.0
175.14793	1.1
177.12709	1.0
179.14302	11.1
222.18518	18.6
223.16940	1.0
223.18828	1.0
224.16368	1.0
236.60606	1.0
240.19562	29.8
241.19644	1.9
259.20499	2.8
277.21606	5.3
292.19885	2.9
320.25821	100.0
321.23712	2.1
321.26190	3.3
338.23062	1.3
338.26901	18.9
358.84647	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	338.2685
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09526	0.3
50.80555	0.3
53.03930	1.1
54.03463	0.3
55.01863	3.2
55.05507	9.7
56.05030	0.7
57.03434	1.5
57.06846	0.4
57.07073	4.2
58.06575	0.7
62.06081	2.2
63.14939	0.3
65.03900	0.7
67.05142	0.5
67.05496	10.2
68.04993	0.3
69.03406	1.0
69.07063	5.6
69.73795	1.5
69.74219	0.6
70.06587	1.7
71.04978	1.0
71.08624	4.5
72.04496	0.6
72.08140	0.9
78.82478	0.3
79.05484	9.0
80.05004	0.7
81.03413	2.5
81.07045	10.1
82.06578	2.1
83.04969	2.0
83.08613	5.0
84.08123	0.8
85.02890	0.7
85.05280	5.7
85.06507	0.7
85.10174	6.9
85.25924	0.3
86.06058	1.1
91.05468	4.8
93.07034	5.7
94.06546	0.6
95.04956	1.3
95.07465	0.3
95.08597	5.4
96.08127	1.9
97.06506	2.1
97.10150	1.2
98.06042	22.0
98.09661	0.4
99.06833	0.5
99.08047	1.9
105.07015	3.6
107.04870	0.4
107.08583	4.8
108.08102	1.2
109.02871	1.5
109.06496	0.9
109.10133	3.2
109.50787	0.3
110.06061	0.3
110.09690	1.4
111.08058	1.3
112.07598	3.8
113.09640	4.3
113.36356	0.3
117.07005	0.9
119.08584	2.2
120.08070	1.4
121.10148	1.7
122.09660	1.0
123.08069	0.4
123.11700	0.6
124.07575	0.6
124.11219	5.5
125.08344	0.5
125.09656	0.4
126.09116	1.0
126.30542	0.3
129.06987	0.7
131.08534	1.9
133.10101	1.3
134.09628	1.1
135.04443	0.3
135.11653	0.9
136.11159	0.4
138.09155	0.8
138.12740	0.4
140.10686	1.1
141.12715	0.4
143.08565	0.5
145.06587	0.3
145.10098	1.0
147.11667	1.5
148.11188	1.4
149.05934	0.6
149.13240	0.7
152.10661	0.7
152.14311	0.4
153.12769	0.5
154.12219	1.5
157.10207	0.4
159.07921	0.6
159.11676	0.8
162.12735	0.8
164.14291	0.5
165.12692	0.9
166.12273	0.9
168.13828	0.9
170.11734	1.2
174.12779	1.0
176.14259	0.4
180.13977	0.5
188.14290	0.5
192.13770	1.1
194.15331	0.4
196.13336	0.8
197.31172	0.3
206.15349	0.5
208.16936	8.8
209.17415	0.3
210.18483	3.0
217.19617	0.4
222.18468	2.9
235.44571	0.3
236.16495	1.0
238.17966	2.0
276.23157	4.8
278.24615	0.5
289.17841	0.5
292.19116	0.4
292.26129	0.4
299.73978	0.3
302.24719	0.7
303.23251	0.5
320.25806	69.5
321.26089	3.3
338.26849	100.0
339.04791	0.6
339.08582	0.4
339.17636	1.0
339.27182	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	338.123
Annotation	Indole-3-acetyl-beta-1-D-glucoside
Peak:m/z	Relative Intensity
53.03925	0.4
55.01860	0.5
57.03436	1.1
59.88138	0.3
60.04527	0.5
60.78436	0.3
61.02913	1.6
61.57314	0.4
69.03423	3.0
69.07048	0.3
70.06583	1.6
71.04982	0.7
71.68677	0.8
72.08164	0.6
73.02900	0.5
81.03394	1.8
84.04435	0.4
84.08128	1.1
85.02374	0.8
85.02895	13.7
86.09701	1.2
86.70908	0.4
87.04462	0.5
91.03919	0.7
97.02879	4.0
103.03930	1.0
103.05455	0.9
105.52644	0.4
109.02869	1.5
109.90313	0.3
110.07178	0.4
110.09190	0.4
114.43620	0.3
115.05405	0.4
120.08092	1.0
127.03906	2.7
129.10234	0.4
130.06511	100.0
131.06866	3.2
137.05989	0.4
142.06491	0.6
143.07274	1.0
144.06929	0.6
144.08069	11.2
145.04945	1.3
145.08456	0.4
146.06007	0.4
148.07555	0.4
154.06468	0.7
156.07970	0.4
158.05986	1.2
160.07506	1.0
168.08040	0.9
170.06039	1.8
172.07552	14.0
175.06123	0.4
176.07048	50.8
177.07376	1.9
188.07059	2.4
190.08611	0.6
196.07561	1.0
210.09116	0.5
212.06920	0.4
214.08649	0.9
218.08099	8.6
219.08440	0.5
238.08652	0.7
242.08054	0.7
245.12070	0.4
253.01167	0.4
256.09698	1.4
265.38937	0.4
267.07825	0.4
272.08868	0.4
274.10559	2.3
284.09213	0.7
302.10266	2.9
307.09842	0.4
320.11227	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	338.2686
Annotation	Melophlin I
Peak:m/z	Relative Intensity
51.89163	0.2
53.03917	0.8
54.03428	0.3
55.01861	2.6
55.05508	9.8
56.05007	0.7
57.03415	0.8
57.07065	1.4
62.06081	2.4
65.03934	0.5
65.72438	0.2
65.73470	0.2
67.05499	6.3
67.08678	0.2
68.04992	0.3
69.03386	0.6
69.06703	0.3
69.07060	4.9
69.46105	2.3
70.06570	0.4
71.04962	0.8
71.08256	0.3
71.08626	5.9
72.08132	0.6
72.78542	0.2
79.05485	4.5
80.04992	0.4
81.03388	0.7
81.07048	7.3
82.06577	1.1
82.07327	0.2
83.04975	1.5
83.08171	0.3
83.08612	4.7
84.08116	0.5
85.02891	0.5
85.05282	6.5
85.06520	0.2
85.10168	2.1
86.06036	1.0
91.05470	3.2
93.07033	5.0
94.06531	0.4
95.04942	0.9
95.08595	3.6
96.08138	1.6
97.06521	1.8
97.10143	0.9
98.06046	27.7
99.06820	0.8
99.08084	3.4
105.06418	0.3
105.07018	2.7
107.07391	0.3
107.08582	2.6
108.08089	0.7
109.06512	0.3
109.10143	1.5
110.09680	1.6
110.10331	0.3
111.04430	0.2
111.08083	1.3
112.07594	4.4
113.09604	1.8
117.06963	0.7
119.08566	2.2
120.08060	0.9
121.10137	1.4
122.09639	0.8
123.08055	0.5
123.11691	0.5
124.07571	0.5
124.11257	1.2
125.08286	0.2
126.09128	1.3
129.06955	0.7
131.08519	1.1
133.10120	1.4
134.09636	0.6
135.11687	0.7
137.09621	0.2
138.09105	1.0
138.12740	0.5
139.11145	0.3
140.10678	1.1
140.57349	0.2
143.08464	0.4
145.10074	1.0
146.09631	0.5
147.10538	0.2
147.11630	1.2
147.30177	0.2
148.11169	1.0
149.09573	0.3
149.13242	0.7
150.12733	0.3
151.11102	0.3
152.10651	0.5
153.12759	0.6
154.12282	2.3
157.10164	0.4
159.08020	0.5
159.11682	0.5
161.13248	0.5
162.12744	0.8
164.14301	0.6
165.12709	0.4
166.12166	0.4
166.15918	0.4
168.13805	0.9
171.11638	0.2
174.12726	0.7
175.11215	0.3
176.14291	0.3
180.13791	0.7
188.14366	0.3
192.13815	0.3
194.15392	0.5
196.16989	0.3
206.15314	0.6
208.16957	6.2
209.17540	0.3
210.18503	4.6
222.18500	4.2
236.16364	1.1
238.18010	2.4
240.19545	0.4
250.18040	0.2
258.22055	0.3
276.23209	2.3
277.21378	0.3
278.24686	0.7
289.17697	0.3
292.26282	0.4
302.24713	0.5
307.09747	0.3
320.25818	41.7
321.26141	3.0
338.26859	100.0
339.12216	0.5
339.17130	0.2
339.27203	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	338.1231
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.5
55.01847	0.4
57.03429	1.1
61.02927	1.9
61.68681	0.3
65.90522	0.3
69.03427	3.9
70.06592	1.6
71.04988	0.6
71.50829	0.7
72.08144	0.4
73.02905	0.6
77.03931	0.4
80.37182	0.3
80.84262	0.3
81.03407	1.6
84.04498	0.5
84.08139	1.2
85.02900	13.7
86.09706	1.6
87.04469	0.5
91.03984	0.4
91.05470	0.4
91.29888	0.4
97.02886	4.5
99.04433	1.0
103.03950	1.2
103.05457	1.3
109.02866	2.0
110.07136	0.5
120.08099	1.1
127.03921	2.8
129.02560	0.3
129.10229	0.5
130.06520	100.0
131.06871	2.7
142.06470	0.6
143.07295	1.0
144.08084	11.2
145.04965	1.6
145.08344	0.5
148.07503	0.4
154.06499	0.6
156.07979	0.4
158.06026	2.5
160.07582	0.4
168.08061	0.8
170.06024	1.8
172.07571	13.5
176.07062	48.2
177.07370	1.1
184.07571	0.6
186.09171	0.5
188.07059	3.1
190.08730	0.4
196.07521	0.6
200.07217	0.4
210.09125	0.7
212.07069	0.4
214.08646	1.0
218.08121	8.7
224.73663	0.3
226.08704	0.4
238.08490	0.9
242.08099	0.6
256.09674	1.3
274.10666	1.6
284.09116	0.4
292.11594	0.5
302.10242	2.2
320.11130	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2733
Annotation	Methyl 15-hydroxy-7-labden-17-oate
Peak:m/z	Relative Intensity
53.03927	3.3
55.01881	1.1
55.05505	44.3
57.03164	1.3
57.03433	25.9
57.07072	7.5
65.03928	2.9
67.05499	91.9
69.03407	1.4
69.06685	2.4
69.07063	47.7
69.47881	11.8
71.04988	2.4
71.08617	1.8
75.38693	1.1
79.05487	23.3
81.03423	1.0
81.07048	100.0
82.07365	1.6
83.04957	2.5
83.08610	25.0
85.06502	2.3
85.10169	1.2
88.84793	1.0
91.05476	14.3
93.07040	23.1
95.04960	2.7
95.08599	82.5
97.06538	5.0
97.10165	15.6
99.08092	2.6
105.07013	12.0
107.08583	12.7
109.06522	2.1
109.10153	26.7
111.08073	2.6
111.11700	2.8
119.08575	10.0
121.10141	13.0
123.11703	14.4
125.09551	1.3
127.11265	1.6
133.10127	9.0
135.11671	6.2
137.09613	1.2
137.13239	3.6
140.87740	1.0
147.11635	5.0
149.13225	4.1
151.11221	1.1
151.14774	2.4
161.13249	4.6
163.14822	3.5
165.16362	1.2
175.14793	4.6
189.16440	2.0
192.91911	1.0
201.20334	1.1
236.30194	1.1
245.22710	6.0
260.90359	1.0
263.23694	8.6
309.14960	1.2
337.27338	98.1
338.27725	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	337.2732
Annotation	Methyl 15-hydroxy-7-labden-17-oate
Peak:m/z	Relative Intensity
50.59426	0.8
53.03928	2.4
55.01859	1.7
55.05504	37.7
57.03157	1.4
57.03431	22.8
57.07066	6.0
65.03919	2.5
67.05497	87.1
68.05836	0.9
69.07058	47.7
70.27654	3.7
71.04974	2.4
71.08617	2.4
79.05484	21.6
81.07046	79.7
82.07365	2.3
83.01141	0.8
83.04974	2.1
83.08614	25.3
85.06520	2.2
85.72856	0.9
91.04929	1.0
91.05469	15.3
93.07035	17.7
95.04953	1.2
95.08597	61.3
97.06516	3.9
97.10158	9.4
99.08092	1.8
105.07011	11.5
107.08568	11.7
109.10145	21.3
111.08034	2.4
111.11706	1.8
119.08560	8.4
121.10142	9.6
123.08038	1.4
123.11689	9.1
125.09618	1.3
133.10132	7.8
135.11682	5.5
137.09642	1.7
137.13231	3.8
147.11673	7.3
149.13249	3.8
151.14838	1.8
153.12714	1.1
161.13252	3.3
163.14807	2.6
175.14815	2.4
189.16466	1.3
245.22684	2.5
263.23663	3.7
337.27328	100.0
338.27795	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	337.2732
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01595	0.4
52.14456	0.3
53.03932	1.8
55.01868	1.4
55.05503	36.3
55.51483	0.3
56.05831	0.4
57.03429	25.4
57.07064	5.7
65.03936	2.3
66.80996	0.3
67.05494	75.2
68.05827	1.1
69.03431	0.7
69.07057	47.7
70.07402	0.7
70.10793	1.2
70.11208	0.7
71.04990	2.2
71.08619	1.6
79.05481	20.5
80.05819	0.6
81.07043	75.2
82.07384	1.5
83.04971	2.2
83.08607	22.5
84.08955	0.5
85.06528	1.9
85.10164	0.9
91.05463	13.1
92.56754	0.3
93.07030	18.9
95.04945	1.4
95.08591	53.7
96.08929	1.0
97.06510	4.8
97.10149	10.7
98.21379	0.5
99.08083	2.0
101.06025	0.3
105.04464	0.5
105.07018	9.0
107.08575	11.0
109.06517	1.4
109.10139	20.7
111.08047	2.8
111.11707	2.7
113.09640	1.0
117.07010	0.4
119.08568	8.1
121.10126	8.9
123.08041	1.7
123.11691	9.3
125.09628	2.0
125.13193	0.3
127.11155	0.4
131.08553	0.5
133.10109	7.7
135.11673	5.8
135.12617	0.5
137.09601	1.4
137.13228	3.8
139.11148	0.9
147.11662	4.9
149.13235	3.1
151.11194	1.0
151.14822	1.2
153.12750	1.2
161.13199	3.2
163.14801	3.2
165.12733	0.7
165.16347	0.6
175.14799	3.1
177.16386	0.6
179.14339	0.3
181.15997	0.4
189.16365	1.0
193.15797	0.5
203.17969	0.9
245.22514	2.1
263.23727	4.2
337.27313	100.0
338.27667	5.7
359.96136	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.237
Annotation	Hepoxilin B3
Peak:m/z	Relative Intensity
52.95149	1.5
53.03943	4.0
55.01863	13.8
55.05508	42.3
56.36631	1.5
57.03432	10.6
57.07071	5.1
65.03951	5.1
67.05498	81.8
69.03422	5.5
69.07065	31.0
69.97214	10.9
70.07069	1.7
70.15997	1.4
70.57082	1.6
71.04976	5.6
71.08630	1.7
76.15062	1.7
79.05485	51.0
79.05933	3.2
79.23912	1.4
80.71078	1.6
81.03423	5.9
81.07052	76.5
82.07408	2.1
83.01319	3.7
83.04977	17.6
83.08616	17.3
85.06543	4.1
91.05471	48.4
93.07040	53.8
95.04972	16.2
95.08594	51.4
97.06509	11.1
97.10165	11.2
99.08060	1.8
101.05996	1.9
103.05433	2.1
105.07024	47.2
107.04945	10.4
107.08593	39.6
108.17701	1.5
109.02887	1.8
109.06513	15.2
109.10156	39.4
111.04433	9.9
111.08056	9.9
114.02876	1.5
114.14211	1.9
115.05448	3.3
117.07016	12.2
119.04955	2.1
119.08563	24.8
120.08920	1.7
121.06490	16.9
121.10139	19.5
123.04435	4.6
123.08067	6.8
123.11667	12.9
125.05973	4.4
125.09628	3.1
128.06209	3.5
129.07034	8.7
131.08553	14.7
133.06488	15.0
133.10115	59.4
135.08041	6.1
135.11697	11.5
137.05983	5.0
137.09612	6.4
137.13229	1.7
139.07558	11.1
143.08510	8.5
145.06471	2.4
145.10126	10.3
147.08022	10.8
147.11678	13.4
149.09639	8.4
149.13300	2.1
151.07533	2.7
151.11169	46.1
153.12744	3.1
155.07150	1.6
155.08586	2.6
157.10136	5.5
159.08105	2.9
159.11678	6.6
161.09596	14.9
161.13271	7.1
163.11169	5.5
165.09125	4.6
165.12733	2.2
167.10664	1.6
171.11703	7.3
173.09720	3.4
175.11212	7.0
175.14854	4.3
177.12859	2.4
179.10669	11.9
179.14250	2.9
181.08609	2.9
185.13264	3.3
187.11177	2.0
189.12732	5.4
191.14273	2.2
193.12267	1.8
197.15367	16.8
199.11305	2.6
207.13841	5.0
213.12692	2.7
217.12260	3.1
223.13225	3.5
225.14766	2.5
227.17931	3.9
245.18983	14.3
255.17438	5.6
263.20041	19.5
273.18445	37.7
291.19522	100.0
292.19904	3.8
319.22711	7.0
337.23727	24.9
337.27426	21.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.237
Annotation	Hepoxilin B3
Peak:m/z	Relative Intensity
50.16392	1.4
50.68375	1.5
53.03943	4.7
55.01863	8.1
55.05506	45.5
56.76217	1.6
57.03432	20.6
57.07067	7.0
58.45695	1.6
60.05584	1.7
61.86197	1.7
65.03932	4.1
67.05497	94.3
69.03407	5.8
69.07063	44.7
70.35181	7.8
71.04990	5.4
71.08617	3.2
71.61514	1.7
79.05025	2.7
79.05483	45.4
81.03395	3.7
81.07046	100.0
83.01322	2.2
83.04975	15.8
83.08174	2.0
83.08613	22.9
85.02872	2.1
85.06512	2.6
91.04923	3.4
91.05472	48.0
93.07034	59.1
95.04950	12.8
95.08598	69.4
97.06528	9.4
97.10158	11.2
99.08076	4.3
105.04607	1.7
105.07015	41.8
107.04940	7.2
107.08589	40.8
109.06529	10.9
109.10149	41.7
111.04446	5.5
111.08055	9.4
111.11732	2.2
117.06996	7.1
119.08578	17.3
121.06496	9.9
121.10135	15.7
123.04421	6.0
123.08033	6.9
123.11675	15.8
125.05998	5.1
128.06250	2.2
129.06998	4.2
131.08548	13.1
133.06476	9.3
133.10121	53.4
135.08044	5.6
135.11694	13.0
137.09578	3.5
137.13239	3.4
139.07509	5.2
143.08563	6.7
145.10097	9.5
147.07986	8.7
147.11684	10.9
149.09593	9.6
149.13213	3.1
151.11169	41.8
155.08585	1.9
157.10162	3.5
159.07997	3.1
159.11809	3.7
161.09610	9.7
161.13222	4.6
163.11150	2.3
163.14859	2.4
165.09175	2.4
171.11635	4.4
173.09579	2.1
175.11183	4.9
175.14827	4.0
177.09093	6.0
179.10612	8.7
181.08580	3.3
181.12453	2.0
189.12747	2.6
193.12215	12.4
197.15359	15.2
199.11047	2.7
217.19405	1.8
227.17946	2.5
230.15089	2.0
245.19011	11.0
255.17467	4.7
263.20050	12.1
263.23499	2.6
273.18488	23.8
291.19525	51.8
319.22708	7.5
337.23666	21.5
337.27359	73.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2369
Annotation	Acanthoaustralide
Peak:m/z	Relative Intensity
53.03931	2.6
55.01869	5.2
55.05507	33.6
57.03428	7.3
57.07058	1.5
59.04972	1.2
65.03910	0.9
67.05500	35.9
67.56963	0.7
69.03434	4.9
69.06698	1.4
69.07063	26.3
71.04987	1.7
71.08637	0.7
71.75864	1.0
79.05484	22.4
81.03398	3.0
81.07050	37.0
83.04983	4.3
83.08613	16.8
84.09006	0.8
85.06508	2.0
87.04469	0.7
87.07334	0.7
90.60369	0.7
91.04919	1.1
91.05473	16.3
93.07038	19.5
95.04958	6.5
95.08005	1.4
95.08597	22.9
97.02876	2.6
97.06518	3.2
97.10161	20.5
97.10793	1.0
99.08074	1.4
105.03319	1.0
105.07022	13.4
107.04951	4.0
107.07920	0.6
107.08581	17.2
109.02927	0.8
109.06500	2.5
109.10152	7.8
111.08082	2.4
115.05429	0.9
117.06995	5.3
119.04949	1.5
119.08566	10.0
121.06490	3.3
121.10138	6.2
123.08047	4.5
123.11720	4.1
125.09618	16.5
129.06978	2.5
130.07784	1.1
131.08562	7.7
133.06505	4.3
133.10110	5.3
134.07208	0.8
135.08029	6.7
135.11670	2.5
137.09607	2.7
137.13229	1.5
143.08554	2.8
145.10135	4.7
147.08054	4.6
147.11633	4.1
149.09581	2.0
149.13266	1.4
151.11200	1.1
153.07143	1.0
153.09076	3.5
157.10101	1.8
159.08063	1.0
159.11705	1.5
161.09663	2.1
161.13271	1.8
162.10419	0.9
163.14789	1.2
165.09085	2.5
171.10233	1.1
171.11600	1.8
171.13811	1.3
173.13257	1.3
175.11159	2.2
175.14783	1.1
177.12665	0.8
184.59807	0.7
185.13196	0.9
189.12714	1.2
189.16336	0.8
195.13828	0.8
199.11165	1.0
205.12158	1.0
212.64107	0.7
217.12399	1.2
217.14311	5.2
223.13307	9.0
245.19029	1.4
245.45934	0.8
249.14903	2.1
251.16449	1.6
255.17389	1.8
263.23636	1.3
273.18439	10.3
283.59982	0.8
291.19519	100.0
292.19760	4.0
301.21616	1.0
319.22659	30.3
320.22958	1.4
337.23621	4.0
337.27298	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	337.237
Annotation	Hepoxilin B3
Peak:m/z	Relative Intensity
53.03930	0.8
55.05507	7.4
57.03421	3.3
57.07060	3.3
64.39386	0.7
66.91927	0.8
67.05500	11.0
69.07059	5.7
70.47803	1.6
70.48200	1.7
71.08605	2.6
72.83672	0.7
75.50800	0.7
79.05482	4.4
81.07047	12.4
83.04944	1.2
83.08604	2.5
85.06525	1.8
91.05458	2.3
93.07056	4.6
95.04924	1.0
95.08591	8.7
97.06516	1.1
97.10163	2.1
99.08109	1.3
105.07008	2.5
107.08578	4.1
109.06499	2.8
109.10131	3.8
111.04443	3.6
111.08040	1.1
119.04785	0.7
119.08566	2.1
121.06520	1.1
121.10118	2.0
123.08056	6.9
123.11695	1.7
124.08820	1.5
125.05965	2.2
130.06552	1.0
130.95413	0.7
133.10095	1.9
135.08055	2.7
135.11691	1.5
137.05942	1.8
137.09601	1.1
138.06796	0.7
139.07512	1.2
139.63028	0.7
145.10010	1.0
147.11693	1.2
149.09630	1.0
151.07520	9.9
152.08296	2.8
158.05989	7.0
161.13264	1.1
163.07581	0.8
165.09113	11.2
165.12715	0.8
167.14311	0.8
176.07147	0.8
177.09108	1.4
179.10654	2.2
179.14143	0.8
191.10738	1.5
193.12233	1.0
195.13744	1.6
201.12814	0.9
201.99324	0.8
208.14607	1.3
209.15414	1.0
219.13806	4.4
221.15413	3.8
234.16078	0.9
235.16853	0.9
277.21646	2.4
291.23105	5.2
319.22644	52.5
320.23065	1.8
337.23706	100.0
337.27338	8.2
338.24097	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	337.2369
Annotation	Hepoxilin B3
Peak:m/z	Relative Intensity
53.03934	1.9
55.01856	2.0
55.05506	31.7
57.03160	1.3
57.03429	20.0
57.07065	6.8
65.03922	3.2
67.05495	81.5
69.07059	39.6
69.52469	7.5
71.04967	1.8
71.08617	2.5
79.05478	21.4
81.03421	1.0
81.07045	85.8
82.07359	0.9
83.04966	3.3
83.08609	19.8
85.06520	3.6
91.05466	13.7
93.07033	20.8
95.04946	3.9
95.08591	62.7
97.06511	4.1
97.10151	11.7
99.08093	1.4
105.07017	8.5
107.04926	0.9
107.08585	12.4
109.06490	8.0
109.10145	25.7
111.04459	0.9
111.08074	2.8
111.11697	2.4
113.05978	2.2
113.09605	0.8
114.06353	0.8
117.06992	0.8
119.08570	9.1
121.10115	9.8
123.08057	2.0
123.11692	9.3
125.05975	0.9
125.09626	1.8
131.08566	2.5
133.10104	8.3
135.08018	2.0
135.11681	6.0
137.09633	1.3
137.13240	4.8
139.11160	1.5
145.10059	1.9
147.11650	4.1
149.13249	3.7
150.39606	0.9
151.14803	2.1
153.12706	1.6
157.10152	0.8
161.09621	1.6
161.13280	4.1
163.14807	3.6
175.14763	3.6
177.16452	1.0
189.16394	1.5
235.89557	0.8
245.22702	4.1
263.19931	0.9
263.23654	6.9
273.18491	2.6
291.19485	7.6
319.22726	1.1
319.26141	1.5
337.27325	100.0
338.27609	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2369
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	3.6
55.01848	4.9
55.05235	2.2
55.05502	42.7
57.03165	2.3
57.03428	35.1
57.07069	6.9
65.03918	4.0
67.05495	100.0
69.03397	1.6
69.07058	49.1
70.88698	1.9
70.89059	4.0
71.04963	4.8
71.08620	2.5
79.05481	34.7
81.07044	100.0
83.04984	7.7
83.08604	27.7
85.06541	13.9
85.10155	1.5
91.05466	21.9
93.07030	26.5
95.04956	18.8
95.08591	61.8
97.06522	5.9
97.10149	13.1
99.08065	2.5
105.07011	13.8
107.04923	3.0
107.08573	18.3
109.02927	1.2
109.06501	19.0
109.10139	20.9
111.04424	6.6
111.08051	5.7
111.11671	1.7
113.05994	38.7
117.06984	6.0
119.08557	17.3
121.06485	1.9
121.10124	15.6
123.08031	4.8
123.11688	9.0
125.09580	3.3
129.06984	2.5
131.08578	7.4
133.06512	1.3
133.10146	10.9
135.08029	14.1
135.11688	5.6
137.09601	1.5
137.13240	4.2
143.08582	2.4
145.10110	7.1
147.08031	3.7
147.11655	5.7
149.09644	1.7
149.13213	4.3
151.14772	1.4
153.12723	3.5
157.10147	1.9
159.11584	2.0
161.09561	1.8
161.13248	3.5
163.11156	3.9
163.14792	2.5
171.11652	2.0
173.09644	1.5
175.14839	3.2
177.12621	1.6
181.12192	5.0
190.96460	1.2
191.10672	3.4
201.12520	1.3
203.18086	1.2
217.15833	3.9
227.12761	3.0
253.57246	1.3
255.17247	1.2
262.90674	1.3
263.23602	3.1
273.18433	13.5
291.19504	34.5
292.19977	1.6
298.83069	1.3
311.71848	1.2
319.22598	2.1
337.27322	95.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2369
Annotation	HXB3
Peak:m/z	Relative Intensity
53.03934	5.6
55.01866	23.7
55.05505	42.8
57.03421	9.3
62.06072	4.0
65.03950	2.4
66.61135	2.0
67.05497	44.8
69.03401	3.6
69.07066	20.4
70.17896	1.8
70.48450	8.9
71.04976	5.6
79.05482	49.0
81.03413	14.4
81.07045	93.0
83.04967	20.3
83.08607	19.3
84.08079	2.0
85.02899	2.5
85.06532	4.5
91.05468	21.0
92.94160	2.0
93.06506	2.8
93.07036	29.7
95.04945	26.9
95.08602	25.8
97.06522	20.8
97.10156	32.6
97.53054	2.1
99.08090	5.1
105.07015	14.7
107.04947	8.2
107.08582	28.7
109.06503	9.4
109.10133	15.4
111.04427	18.7
111.08066	11.4
113.05993	4.4
117.06998	10.7
119.08560	18.7
121.06503	6.0
121.10156	11.1
123.04440	2.3
123.08059	41.7
125.09612	25.3
129.06995	4.3
131.08531	11.9
133.06480	3.2
133.10114	8.4
135.08035	11.7
135.11659	8.2
137.09590	13.9
137.15140	2.1
143.08563	4.8
145.10123	11.9
147.08006	11.1
147.11668	6.5
149.09598	6.1
149.13301	2.9
151.11107	2.3
153.09070	5.5
153.12708	15.2
157.10094	5.7
159.11644	3.1
161.13196	2.2
163.11171	24.7
164.97250	2.2
165.09103	12.4
169.10205	2.2
171.11702	2.7
173.09543	3.6
175.11163	5.0
177.12726	3.8
179.10556	2.1
181.12280	10.6
189.11192	7.2
191.10649	7.6
193.12250	12.0
199.11171	3.1
209.11592	3.2
217.14333	6.1
221.11694	3.0
223.13283	7.3
227.12756	13.6
227.17804	2.0
241.14413	2.8
245.18973	6.5
255.17416	3.5
263.20142	2.2
273.18457	32.5
275.62943	1.9
290.58344	2.0
291.19516	100.0
319.22562	13.1
320.25717	3.5
337.23602	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	337.139
Annotation	Semilepidinoside A
Peak:m/z	Relative Intensity
53.03924	0.7
55.01843	1.2
55.05481	1.6
56.05013	1.7
57.03413	1.6
58.06570	0.9
60.00878	0.7
60.04493	2.5
61.02908	2.0
61.17629	0.6
63.74701	0.6
66.88497	0.6
67.05480	2.2
69.03420	6.5
69.07059	0.9
69.74709	4.6
70.06588	6.0
71.01318	1.6
71.04962	1.2
72.04494	1.0
72.08150	3.4
73.02886	2.9
73.05277	1.3
74.06075	4.2
79.05457	3.3
80.05009	0.9
81.03382	2.9
81.07034	1.0
82.06541	0.9
83.04962	1.3
84.04469	2.8
84.08151	4.9
85.02896	11.8
86.06052	1.7
86.09713	3.8
87.04449	1.8
89.03922	3.3
91.05470	4.6
93.07023	1.4
95.04934	1.9
95.08595	0.7
97.02889	8.3
98.06043	3.8
98.20645	0.9
99.04440	1.4
101.02364	1.3
101.72381	0.7
102.05529	0.7
103.03902	0.7
103.05424	2.1
105.07031	3.4
106.06537	1.7
107.04933	4.4
108.05216	0.6
109.02852	1.7
110.06043	6.9
110.06780	0.7
110.07114	1.2
111.04406	1.6
112.07575	1.4
113.02352	5.3
114.05490	2.9
115.03918	1.2
116.04969	41.5
117.05730	2.6
117.06980	0.8
118.06561	1.2
119.04934	1.2
120.08064	3.4
121.02820	4.4
122.05994	1.2
122.08364	0.6
123.04401	1.4
124.03880	0.7
125.02312	1.7
126.05489	6.2
127.03898	2.1
128.07039	0.9
129.10231	1.7
130.06520	13.8
131.04883	0.9
132.08069	10.3
133.06459	2.1
134.05972	3.2
135.04395	1.0
137.05930	2.4
138.05508	0.9
140.07013	1.9
142.05212	2.8
143.03349	6.4
144.06541	2.0
145.04912	1.4
146.05986	1.3
147.04364	1.0
148.07538	18.1
150.05449	1.4
150.09109	3.1
157.07599	34.6
158.06029	5.1
158.08238	1.8
162.05460	0.9
163.03879	1.0
168.06531	1.6
175.08655	100.0
176.01031	0.9
176.05681	6.4
176.09023	1.7
179.18225	0.7
186.07558	4.8
187.06009	1.3
191.03334	1.7
194.02217	0.9
204.08653	20.0
217.09843	0.8
219.02856	2.0
277.08487	0.7
281.08066	1.6
294.05243	7.1
301.11707	1.6
307.05942	1.4
308.06711	3.3
309.07495	2.8
319.05914	2.4
319.12756	1.8
337.07083	35.4
337.13809	24.0
338.07401	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	337.0892
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96570	5.0
69.03411	2.6
70.16199	10.5
84.08098	2.6
88.99125	2.4
97.02856	2.2
98.21410	3.0
98.97569	13.3
110.97578	3.8
112.99114	3.6
116.98598	6.4
117.63134	2.7
120.65978	2.5
128.98627	4.0
131.00159	6.2
141.33069	2.5
156.52065	2.6
189.42307	2.5
193.03619	2.3
228.75938	2.9
237.02769	4.7
251.18428	2.8
260.68033	2.7
263.00790	3.3
295.07022	3.5
329.09879	3.0
337.08896	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0892
Annotation	Unknow
Peak:m/z	Relative Intensity
59.78322	3.0
70.11555	16.3
88.34147	3.2
133.03474	4.5
284.62363	3.1
337.08337	100.0
355.69348	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	337.0891
Annotation	Unknow
Peak:m/z	Relative Intensity
69.31092	6.8
69.83397	21.8
69.83820	20.5
70.06578	16.0
74.91566	4.9
98.20627	6.2
101.00861	14.2
103.02460	16.9
110.61784	6.7
113.00861	8.6
115.60455	5.9
116.07056	6.3
119.01917	27.5
121.03483	6.8
127.02419	11.5
131.01898	42.6
145.03432	55.4
149.02878	6.4
155.01900	27.0
157.03465	41.0
163.04469	10.1
171.01300	9.5
173.02969	41.1
175.04510	12.3
183.01324	9.9
185.02953	15.5
201.02490	6.3
216.40822	6.4
217.01898	72.9
229.01875	38.3
235.03004	29.2
247.03038	13.4
337.08875	100.0
337.17175	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	337.0611
Annotation	Unknow
Peak:m/z	Relative Intensity
57.19805	1.4
70.06600	6.0
71.42805	3.7
84.08131	1.8
94.99857	2.5
98.21127	2.3
101.00864	12.4
103.02455	10.0
113.00887	7.4
119.01918	30.1
119.02737	1.9
121.01720	2.6
121.03513	4.6
127.02403	10.2
131.01888	42.8
132.01961	2.2
132.64265	1.7
132.95845	4.9
137.03041	2.7
139.02406	3.0
143.01988	1.9
145.03453	71.7
146.03571	2.5
147.01396	2.4
149.02931	8.8
150.96974	2.4
155.01880	20.5
157.03464	35.8
159.04948	2.5
161.02995	4.5
163.04501	7.8
167.01888	3.2
168.05185	1.8
171.01427	10.6
173.02948	44.1
174.03247	3.5
175.04546	6.6
183.01399	3.6
185.02950	9.0
187.04413	1.9
189.02451	13.6
193.02037	1.8
199.00932	5.1
201.02499	7.0
203.03862	3.4
203.05542	2.6
217.01924	100.0
218.02141	4.6
221.05170	2.4
229.01920	41.0
230.02318	2.5
233.03252	1.7
235.02956	39.2
235.05135	2.5
239.06201	2.4
247.03000	24.5
253.04083	4.1
258.04599	6.2
265.04071	3.1
275.06149	2.9
319.05212	2.6
337.05881	4.4
337.08972	14.9
337.17349	5.3
357.30423	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0701
Annotation	Garhwalin
Peak:m/z	Relative Intensity
50.01599	0.1
53.03938	0.1
55.01862	0.3
61.22730	0.1
63.02391	0.1
65.03937	0.6
67.05499	1.7
68.99448	0.1
68.99782	1.1
69.03423	0.1
69.07060	0.1
70.06571	0.2
70.10284	0.3
72.08128	0.2
77.03929	0.1
79.05483	1.3
81.03419	0.3
81.07040	0.2
84.08117	0.1
86.09687	0.1
89.03904	0.3
91.05472	1.8
92.99745	0.1
93.03418	0.4
95.04957	3.6
95.08605	0.1
98.09675	0.1
99.04447	0.1
99.08073	0.1
103.05445	0.1
105.03405	0.3
105.07009	0.2
107.01329	0.1
107.04945	3.1
107.08581	0.1
108.05301	0.1
109.02887	0.2
111.04429	0.3
115.05420	0.1
117.03366	0.3
118.04154	0.2
119.04929	3.7
119.08566	0.1
121.02854	6.1
121.10065	0.1
122.03176	0.1
123.04409	0.5
123.11652	0.1
129.03351	0.1
131.04916	0.2
133.02806	0.1
135.04402	4.1
136.04750	0.1
137.05992	0.1
139.03848	0.1
145.02829	6.2
146.03154	0.1
147.04367	0.3
148.01576	0.1
149.02304	1.0
153.04211	0.1
153.05473	0.2
159.04472	0.1
161.05934	0.1
163.03886	19.0
164.04182	0.3
165.01816	0.1
165.05464	0.2
165.06966	0.1
167.03384	0.5
167.08537	0.1
169.06479	0.1
173.02327	0.3
175.03922	0.1
176.01028	0.4
177.01820	0.1
177.06934	0.1
178.07780	0.2
179.08560	0.3
181.04941	7.7
182.05309	0.1
182.07274	0.2
183.08020	0.3
187.03912	0.3
189.01743	0.2
189.05508	0.1
190.02531	0.2
190.07549	0.1
191.03372	9.2
192.03735	0.2
193.06451	0.1
194.02182	0.4
194.07230	0.1
195.08061	0.3
197.05986	0.1
197.09540	0.1
203.44482	0.1
207.08115	0.4
208.03706	0.1
209.04439	2.3
210.06750	0.4
210.08585	0.1
211.07539	0.3
213.05486	0.1
213.09142	0.2
218.07330	0.1
219.02921	0.3
221.05980	0.2
225.09082	0.2
229.05017	0.4
234.06383	0.1
235.07468	0.5
237.05382	0.2
238.06326	0.3
239.07019	1.3
240.07381	0.1
249.05463	0.1
251.07256	0.1
252.07764	0.2
253.08545	1.4
255.06335	0.2
263.06970	1.0
264.07645	0.1
265.04956	0.1
266.05698	0.5
267.06464	1.8
269.04401	0.1
270.05237	0.2
279.03378	0.1
279.06500	4.0
280.07147	0.6
281.08054	37.0
282.08392	1.6
283.05954	0.4
291.06476	1.3
292.07114	0.2
293.04593	0.1
294.05182	2.1
294.08514	0.1
295.05994	0.8
307.05994	0.7
308.06790	1.8
309.07535	90.7
310.07870	4.0
319.06009	0.2
337.07019	100.0
338.07355	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	336.1074
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.6
55.05512	0.4
56.05017	0.5
57.03413	0.7
60.04505	0.4
60.05624	0.3
69.03423	6.1
69.67096	0.3
70.06583	3.6
71.73885	0.4
71.74287	0.4
72.08131	2.5
74.06049	0.9
81.03402	2.2
84.04472	0.6
84.08137	1.7
85.02897	2.5
86.09679	1.0
91.05473	0.8
97.02869	1.6
99.04442	0.7
109.02842	1.5
110.07143	0.6
118.06522	1.1
120.08073	3.0
123.04349	0.3
127.03904	2.8
128.04944	2.3
129.10234	1.2
132.04408	1.6
136.07544	0.6
146.05986	100.0
147.06358	1.5
162.05534	0.5
174.05486	21.6
175.05843	0.7
192.06534	15.3
193.06721	0.4
210.05792	0.4
219.14915	1.1
238.05290	0.6
246.40787	0.3
247.14395	0.3
290.10147	1.1
318.09750	0.9
336.10709	0.4
349.58997	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	336.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.6
55.05508	3.9
56.05025	7.9
60.04512	2.4
61.01157	1.8
63.05014	1.8
64.63156	1.7
66.90420	1.6
69.07060	2.4
69.72968	14.9
70.06581	19.3
72.08146	31.1
74.06066	3.7
79.05487	2.8
81.03415	14.3
84.04493	8.1
84.08118	5.7
85.07660	100.0
86.09700	33.5
91.05464	5.7
95.04954	2.3
103.05478	4.3
104.05309	4.3
105.07011	3.0
106.06556	4.7
107.04941	2.2
110.07161	3.8
116.04921	2.1
116.07075	2.4
118.06474	1.9
120.08094	68.7
121.08412	2.3
129.10240	2.4
130.06511	2.1
132.08066	2.2
133.64818	1.8
137.05977	3.2
143.11781	18.2
146.06024	6.4
147.04364	2.1
159.09218	3.4
171.11292	6.8
174.05545	2.2
175.08784	2.3
188.07060	4.4
204.06564	2.3
205.09763	4.6
210.05736	4.9
223.10861	7.5
233.16446	14.5
238.05252	4.8
290.08469	5.1
305.07846	2.8
310.72113	2.2
337.06946	6.6
337.10413	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	336.1914
Annotation	Gly Phe Ile
Peak:m/z	Relative Intensity
60.04513	1.5
69.07065	0.4
70.06573	1.0
71.13348	0.7
71.13671	0.6
84.08120	0.5
86.09698	14.4
91.05471	1.2
93.07043	0.6
103.05472	1.7
105.32690	0.3
106.22300	0.5
118.06480	0.4
120.08093	100.0
121.08430	2.6
129.06902	0.4
131.04926	0.5
131.08633	0.4
132.10190	5.3
137.05965	1.1
146.05940	0.5
161.05966	0.5
162.06743	0.9
177.10220	52.5
178.10556	2.0
205.09731	9.7
206.09805	0.5
209.16388	0.4
234.06769	0.7
262.06281	0.6
277.08545	0.6
279.17010	1.5
305.07834	0.8
336.17059	1.1
336.27319	0.6
337.06845	0.5
337.10593	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	336.1075
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.9
55.05502	0.9
56.05021	1.8
57.03412	1.1
60.04510	0.7
60.05648	0.4
63.93232	0.3
69.03420	6.7
70.06586	7.5
71.01369	0.3
71.04972	0.5
71.06908	0.5
71.75099	0.6
72.08144	5.3
74.06071	4.9
79.05503	0.4
81.03416	2.9
84.04495	1.7
84.08130	5.8
85.02897	2.6
86.09692	3.1
91.05463	0.8
97.02878	1.4
99.04431	0.9
105.03381	0.8
106.06535	0.5
109.02857	1.0
110.07155	1.3
113.07131	0.4
116.07079	0.8
118.06541	0.9
120.08070	2.4
127.03909	2.8
128.04951	2.1
129.10222	6.3
131.08176	0.5
132.04433	2.1
146.05989	100.0
147.06308	1.8
148.02852	0.3
159.07692	0.9
173.09216	2.0
174.05486	20.3
174.11275	0.4
192.06537	15.1
193.06808	0.4
210.05798	0.4
232.46352	0.3
238.05211	0.4
242.18585	0.7
259.56992	0.3
288.15179	0.3
290.10141	0.4
318.09668	0.9
319.12009	0.5
330.87891	0.4
336.10684	0.4
336.14844	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	336.105
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03917	0.7
69.03386	1.2
70.06580	4.1
70.24709	1.3
70.25121	2.4
72.08119	1.2
72.09727	0.7
79.05463	1.2
81.03391	1.9
81.07018	0.7
84.04469	1.0
84.08138	1.2
85.02872	2.3
86.20436	0.7
91.05459	1.2
93.11940	0.6
95.08587	1.1
97.02844	1.2
97.06548	1.1
98.04256	0.8
98.20892	1.6
102.46812	0.7
106.06495	0.9
107.04922	1.2
111.04396	0.6
111.97100	0.7
113.06020	0.8
116.07079	2.0
117.07045	0.8
122.05996	1.0
123.04361	0.9
124.05766	0.9
136.07498	1.0
144.08034	0.8
145.06435	0.8
146.99661	0.9
147.04346	1.3
155.06999	1.6
156.10164	2.0
161.05913	1.3
161.07076	1.9
163.03920	1.1
174.05336	2.3
174.11278	6.1
188.06993	1.2
189.05412	1.2
190.08623	0.9
202.08525	0.9
217.04926	1.9
230.08080	2.9
232.09641	8.7
258.07605	6.4
276.08542	2.0
319.12766	0.9
336.10501	100.0
337.10666	2.3
339.12631	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	336.0897
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	41.7
55.01859	3.7
55.05503	2.2
56.05034	2.2
57.50503	1.6
58.99585	7.1
67.89056	1.3
69.07040	1.8
70.02959	1.4
70.06586	18.3
71.75317	1.6
72.08144	6.2
74.06065	3.6
76.02218	2.6
76.19276	1.3
79.05479	7.5
81.03410	100.0
84.04501	5.6
84.08125	12.8
85.01125	1.6
85.02890	1.7
86.00648	3.4
86.09694	14.1
86.99046	5.4
88.03999	7.5
91.05474	17.1
95.04960	2.2
96.04458	1.7
97.01128	2.0
103.05460	4.2
105.00068	3.6
105.07041	2.7
106.06548	28.7
107.04971	3.3
110.07156	3.5
112.02174	3.0
113.00578	5.4
114.00137	1.3
115.05463	1.9
116.07023	1.7
118.06547	4.3
120.08109	14.8
121.01087	3.1
127.44079	1.3
129.10233	4.5
130.06522	11.9
131.08496	2.0
132.01129	4.9
132.08101	4.3
134.06001	11.3
136.07625	2.8
138.03740	2.9
139.02132	4.1
140.01630	3.0
141.06960	1.7
146.05971	7.6
148.07564	2.7
153.22734	1.2
156.04796	2.8
158.02686	1.9
158.09723	3.2
159.08020	3.0
161.05962	3.2
164.01642	2.8
164.05241	9.1
169.06525	2.6
171.08040	1.4
174.03799	1.7
176.07083	5.0
185.02625	7.8
186.02242	5.2
186.09096	9.9
197.05917	2.1
204.06570	8.0
210.05818	42.5
222.07562	3.0
229.03040	2.2
233.08089	3.9
233.16437	1.8
238.05305	47.7
244.07935	8.0
252.80934	1.4
272.07376	7.6
290.08444	20.1
318.07977	5.5
318.11526	1.8
325.49463	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2577
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
51.65939	3.4
55.05500	22.7
57.03439	26.1
57.07077	3.9
62.72901	3.8
67.05502	93.8
69.07062	18.8
70.77410	8.4
70.77802	6.6
79.05489	38.2
79.62313	3.6
81.07050	73.6
83.08598	7.8
91.05485	22.4
93.07040	47.7
95.08600	63.3
97.10144	5.9
105.06998	12.6
107.08579	20.2
109.10129	23.0
119.08548	9.7
121.10159	18.8
123.11706	7.5
131.08511	6.8
133.10086	5.8
135.11681	16.8
145.10086	7.5
149.13240	6.2
159.11691	7.0
163.14726	3.5
173.13194	4.6
177.16389	3.5
261.22180	12.6
268.51212	3.3
316.14963	3.5
335.25809	100.0
336.26129	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	335.2577
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
53.00275	1.6
53.03930	5.4
55.01881	1.8
55.05508	16.0
57.03431	22.8
57.07058	1.5
65.03915	3.0
67.05500	70.6
69.07063	15.1
70.20042	7.5
71.04956	2.4
79.05488	39.5
81.07052	75.1
81.07528	2.8
83.04980	2.7
83.08609	9.0
85.06500	2.5
91.05471	20.5
91.23468	1.2
93.07037	42.9
95.04949	4.5
95.08595	61.1
95.09202	3.2
97.06497	3.1
97.10148	3.0
98.21386	1.5
99.08070	1.5
105.07014	19.0
107.08587	30.1
109.06530	1.7
109.10154	30.1
111.08023	2.2
117.07018	7.8
119.08570	13.3
121.10143	20.9
123.11691	9.9
131.08578	10.4
133.10115	12.2
135.07954	1.6
135.11671	16.6
137.13197	2.2
145.10107	7.5
147.11697	8.2
149.13257	11.2
159.11700	5.0
161.13245	5.6
163.14836	5.3
173.13200	8.2
175.14801	2.7
187.14793	5.0
191.14256	1.9
201.16298	2.3
227.76952	1.4
243.21086	10.3
261.22128	13.9
279.23166	1.3
317.24838	3.5
335.25769	100.0
336.26080	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2576
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03907	1.1
55.01845	1.0
55.05511	6.1
57.03432	9.0
67.05498	25.7
69.07062	6.2
70.04248	4.3
79.05483	13.2
81.07049	30.8
83.08606	3.3
91.05480	8.0
93.07037	18.1
93.07588	1.3
95.04960	1.7
95.08599	24.1
97.06523	1.0
97.10162	1.1
99.63203	0.8
105.07034	6.2
107.08579	9.4
109.10144	9.5
117.06991	2.5
119.08558	5.3
121.10138	6.6
123.11682	3.2
129.05482	1.5
131.08563	4.3
133.10132	3.8
135.11678	7.5
137.13152	1.0
145.10132	2.2
147.11671	3.0
149.13234	4.5
159.11658	2.0
161.13269	2.5
163.14758	2.1
173.13301	2.0
175.14911	0.9
185.87317	1.0
187.14796	1.2
206.71300	1.1
243.21089	3.6
261.22174	4.3
275.50021	0.8
335.21881	100.0
335.25793	36.1
336.22220	4.4
336.25885	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2576
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
53.03924	4.8
55.05507	11.7
57.03429	24.3
67.05499	100.0
69.07066	19.7
70.94258	13.0
79.05485	47.6
81.04572	4.0
81.07045	92.5
83.08622	11.7
91.05459	23.3
93.07032	56.0
95.08592	63.6
105.07034	13.7
107.08588	26.2
109.06498	4.8
109.10147	30.4
119.08547	12.1
121.10156	15.7
123.11707	15.3
131.08607	7.8
133.10181	8.6
135.11684	10.2
137.43864	5.1
145.10144	7.2
147.11726	6.5
149.13254	7.0
159.11742	6.1
218.93991	4.9
252.73047	4.5
261.22113	6.1
335.25763	77.5
341.80496	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	335.2576
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
51.02395	0.9
53.03937	2.7
55.01853	2.8
55.05506	15.3
56.96546	1.1
57.03158	1.3
57.03434	24.5
57.07070	5.2
65.03931	3.3
67.05499	95.0
68.05856	1.6
69.06689	1.1
69.07063	18.1
69.50815	9.2
70.06586	1.1
71.04977	1.8
71.08626	2.5
77.65445	1.1
79.05489	53.5
81.03410	2.3
81.07049	100.0
82.07391	1.0
83.04981	2.7
83.08615	10.2
85.06547	2.9
88.07642	1.3
89.34414	1.0
91.05477	30.6
93.07037	68.3
94.07380	1.5
95.04951	6.6
95.08599	79.7
97.06536	3.9
97.10156	6.0
99.08096	1.6
105.04512	1.4
105.07018	20.5
107.04964	1.3
107.08583	37.6
109.06516	3.8
109.10149	34.3
111.08093	1.2
112.45001	0.9
113.09623	1.1
114.82758	0.9
117.06998	8.1
118.40985	0.9
119.08562	17.9
121.10132	31.0
123.08073	3.2
123.11706	12.1
129.05460	4.4
129.07036	1.4
131.08560	19.2
133.10115	13.4
135.08064	2.0
135.11681	18.8
137.09633	1.7
137.13268	4.7
143.08540	1.0
144.70735	0.8
145.06419	1.0
145.10120	13.6
147.11667	9.4
149.09631	2.8
149.13225	10.6
151.11125	1.0
151.14835	1.8
155.07074	1.6
157.10193	1.7
159.11694	8.4
161.09599	1.3
161.13246	8.1
163.11160	1.7
163.14848	7.6
165.12820	1.5
171.11774	1.1
173.13266	8.1
175.14839	3.3
177.12846	1.3
177.16446	4.0
187.14784	5.0
191.82327	0.9
201.16364	2.1
212.79391	0.9
217.19534	2.1
219.21121	1.3
224.16841	0.9
231.74352	0.9
233.22691	1.4
235.16989	1.3
241.00267	0.9
242.72697	0.9
243.21074	18.1
243.44905	0.9
245.22653	1.7
261.22116	17.7
261.24655	1.1
275.19879	1.7
277.21664	1.8
279.23080	2.3
309.55338	1.0
317.24841	9.4
335.25870	90.8
335.29718	5.7
336.26233	3.2
353.20203	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	335.2573
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
53.03931	4.7
55.01857	4.2
55.05507	20.8
56.05018	1.5
57.03432	29.7
57.05348	1.3
57.07064	7.5
58.06582	4.1
60.88562	1.5
62.06076	4.8
65.03931	4.4
67.05499	99.5
69.07061	20.5
70.21184	4.6
70.21593	2.3
71.04998	2.4
71.08627	3.7
72.08150	2.1
73.02935	1.4
74.06069	3.3
79.05486	62.1
80.05814	1.5
81.03397	4.1
81.07050	96.5
83.04974	4.6
83.08617	14.2
85.02922	1.7
85.06520	2.4
85.10174	1.3
86.06046	3.2
88.07627	19.9
89.07948	4.4
91.05468	36.1
91.06035	1.8
93.06423	2.3
93.07036	71.2
95.04989	7.5
95.08597	83.4
97.02859	1.4
97.06526	2.8
97.10143	4.2
98.20631	1.7
98.98455	6.9
99.08067	1.7
104.07072	1.7
105.07014	27.2
106.07307	1.6
107.04935	2.2
107.08582	39.0
109.02908	1.4
109.06507	4.3
109.10149	31.5
111.08044	3.4
112.62158	1.4
117.07001	11.1
119.08566	18.9
121.06519	2.1
121.10142	30.5
123.08067	1.9
123.11700	9.8
129.05484	7.0
131.08565	21.2
132.10208	3.6
133.10086	9.9
135.04395	1.7
135.08051	2.9
135.11682	21.1
137.09624	1.7
137.13283	3.9
145.10112	10.1
147.11659	8.1
149.09596	2.9
149.13251	9.6
151.14769	2.3
155.07048	2.1
159.11650	8.6
161.09572	1.5
161.13237	7.5
163.11336	2.0
163.14806	8.5
173.13251	10.8
175.14801	3.9
177.12796	2.0
177.16444	2.5
187.14842	3.9
191.14294	1.4
217.19482	2.5
219.21031	3.1
223.46021	1.5
233.22595	3.2
242.24940	3.2
243.21117	16.5
243.25064	18.0
245.22591	2.6
261.18478	1.4
261.19443	1.8
261.22137	14.6
275.20145	2.4
287.27673	6.0
317.24698	7.0
318.24112	8.3
335.14755	5.0
335.25751	100.0
335.29834	64.6
336.25644	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	335.2191
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20220	1.1
55.01852	1.6
55.05502	10.7
57.03437	9.8
57.07075	1.2
62.49548	1.0
67.05499	32.4
67.05847	2.4
69.03405	1.4
69.07066	11.4
71.05003	1.5
71.75110	1.8
76.27670	1.1
78.14876	1.0
79.05487	20.9
79.85593	1.0
79.98577	1.2
81.03429	1.6
81.07051	32.3
82.07393	1.2
83.08607	4.7
85.10117	1.1
91.05466	11.2
93.07030	22.0
95.04961	3.2
95.08601	27.9
97.06514	1.7
97.10194	2.7
98.98439	1.5
105.07030	8.5
107.04961	1.0
107.08597	14.8
109.10159	9.6
110.06006	3.0
111.08052	2.1
113.09596	1.2
117.07025	2.8
119.08565	7.8
120.91452	1.3
121.06487	2.1
121.10141	11.9
123.08103	2.1
123.11684	3.9
131.08534	5.5
133.10107	5.9
135.08087	1.4
135.11700	7.0
145.10088	4.1
147.11705	5.7
149.13264	3.7
150.66208	1.1
159.07994	1.4
159.11722	3.1
161.13261	2.3
163.14830	2.8
173.13205	3.0
175.14867	1.5
206.15417	5.6
235.13162	1.1
243.21104	3.3
252.06320	1.4
261.22202	2.3
289.17883	2.4
317.21017	1.8
318.24280	6.2
335.21881	100.0
335.25821	38.1
336.22015	4.3
336.25409	10.4
353.22141	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	1.4
62.51690	0.7
67.05485	2.1
69.42352	1.2
69.42753	6.5
79.05487	1.3
81.07045	2.7
83.08627	1.0
91.05471	1.7
93.07028	1.8
95.08583	0.9
100.11220	1.6
105.07019	1.4
107.08536	0.9
109.10098	0.8
119.08533	0.8
121.10126	0.8
177.12799	1.3
182.81665	0.7
221.11507	0.9
259.20633	0.7
273.37689	0.7
276.23273	1.4
277.21536	1.3
281.25668	0.7
294.24268	4.0
317.20743	1.2
335.21887	100.0
336.21756	3.7
336.25677	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	335.219
Annotation	13,14-dihydro-15-keto Prostaglandin J2
Peak:m/z	Relative Intensity
60.78803	0.9
67.05497	1.5
70.06593	1.0
70.88987	2.6
71.54994	0.8
72.27748	0.8
79.05502	0.9
91.05447	1.0
95.08584	0.9
105.06990	1.0
119.08673	0.8
123.95758	0.9
125.16895	0.8
195.09911	1.2
335.21902	100.0
336.22144	3.5
336.25549	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.219
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	5.7
57.03437	6.7
67.05495	22.0
69.07054	5.7
70.24128	1.3
70.24521	2.4
79.05485	13.5
81.07050	22.2
83.08600	2.0
89.91924	0.7
91.05478	5.6
93.07030	14.0
95.04945	1.9
95.08594	15.6
97.10137	1.6
105.07019	4.6
107.08591	6.9
109.10146	7.0
117.06989	1.6
119.08592	3.7
121.06452	0.7
121.10130	7.0
123.11667	2.7
129.05490	0.8
131.08524	2.9
133.10110	3.1
135.11676	4.1
145.10130	2.0
145.61839	0.7
146.98997	0.8
147.11626	1.8
149.13249	1.7
151.14766	0.7
159.11586	1.3
161.13254	2.0
163.11145	1.0
163.14803	1.4
173.13264	2.2
175.14839	0.9
177.12801	1.5
181.18219	0.7
191.21800	0.7
220.23154	0.7
235.12967	1.5
243.20996	1.9
261.22028	2.3
304.88181	0.7
317.24585	0.9
335.21844	100.0
335.25748	25.0
336.22147	4.7
336.25711	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.196
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97452	0.4
55.05483	0.6
57.07063	1.5
65.71420	0.5
67.05489	0.5
69.07051	1.0
70.06582	3.3
70.28903	0.4
71.06918	0.5
71.31543	1.3
81.07039	1.0
86.09696	34.0
86.82208	0.5
87.10011	1.1
88.07628	2.0
89.07937	0.8
91.05464	1.2
93.07038	1.4
102.09182	1.5
103.05468	3.6
105.06971	0.6
120.08092	100.0
121.06480	4.4
121.08437	3.4
128.10704	13.9
131.04893	1.6
156.10185	3.7
160.25786	0.6
163.07544	2.3
180.10178	49.5
181.10497	2.0
228.23264	1.7
229.23558	6.6
273.26126	1.4
307.69214	0.6
335.29800	15.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1484
Annotation	(-)-Tetrodecamycin
Peak:m/z	Relative Intensity
53.03934	6.1
55.01863	25.4
55.05505	29.2
57.03418	6.5
57.07063	2.8
60.49780	2.0
65.03924	6.5
67.01478	1.8
67.05494	50.9
69.03419	14.1
69.07059	30.4
70.06570	3.2
70.07411	2.3
71.04974	7.0
71.75201	2.7
71.95063	1.8
72.08121	2.6
74.44990	1.8
75.39315	1.8
75.74890	1.8
79.05481	54.3
79.05928	3.5
81.03413	28.0
81.07042	62.7
83.01318	5.7
83.04982	12.2
83.08614	20.9
84.04501	2.8
84.08123	4.1
84.57943	1.9
85.02911	7.0
85.06536	9.5
86.09701	2.8
87.04445	3.3
91.05471	64.7
93.03393	7.3
93.07037	48.1
95.01318	5.2
95.04953	33.8
95.08592	42.0
97.02900	4.8
97.06531	13.6
97.10175	11.3
99.04450	3.4
99.08081	5.1
103.05470	7.2
105.03374	6.3
105.07024	55.7
107.04937	28.8
107.08575	34.1
109.02890	8.0
109.06499	15.9
109.10152	28.9
111.00835	2.6
111.04444	5.2
111.08096	8.1
115.05451	9.2
117.07004	29.1
119.04935	11.4
119.08571	31.2
121.02856	9.5
121.06491	25.8
121.10143	25.5
121.82462	2.3
123.04425	8.8
123.08052	12.8
123.11676	10.0
125.02355	12.6
125.06008	3.3
125.09645	5.8
127.03927	6.5
128.06213	8.3
129.06993	30.8
131.04926	10.6
131.08546	28.0
133.06462	19.0
133.10121	25.9
135.04378	12.9
135.08026	16.8
135.11685	18.0
137.02348	6.9
137.05966	5.4
137.09586	19.0
139.03894	5.3
139.07526	4.7
139.11127	4.9
141.06981	9.1
142.07756	4.5
143.04924	2.5
143.08557	19.0
143.10582	2.3
145.06465	16.0
145.10110	21.6
147.04413	9.1
147.08028	13.6
147.11670	12.9
149.05971	7.9
149.09612	27.4
149.13268	6.3
151.03889	6.5
151.07521	4.3
151.11142	16.7
153.07002	2.9
153.09106	2.9
154.07793	3.5
155.03386	6.3
155.08546	10.1
157.06435	10.5
157.10095	13.1
159.04431	3.6
159.08070	9.5
159.11678	14.4
161.05968	9.4
161.09616	11.2
161.13249	7.2
163.03883	8.8
163.07532	7.3
163.11180	12.5
165.05559	3.0
165.06995	5.2
165.09137	5.5
165.12724	2.3
167.07155	3.3
167.08585	6.9
168.09305	2.4
169.06430	3.1
169.10121	14.9
171.04390	3.7
171.08058	4.8
171.11632	20.6
173.05919	10.1
173.09698	5.0
173.13310	7.2
175.03951	6.9
175.07593	5.0
175.11166	8.4
177.05493	5.1
177.09160	3.8
177.12732	5.9
177.16405	2.6
178.07767	3.0
179.07048	5.7
179.08539	2.8
179.10629	5.7
179.14229	3.0
181.10129	7.3
183.08099	3.2
183.11696	8.0
185.06004	3.1
185.09706	4.5
185.13242	5.3
187.07558	6.0
187.11140	15.7
187.14789	3.4
189.05437	4.8
189.09218	2.4
189.12741	10.1
191.03377	2.6
191.07024	4.2
191.10631	3.3
193.04965	2.7
195.11737	4.4
197.09616	4.1
197.13274	6.2
199.11157	21.1
199.14780	4.1
201.09109	2.7
201.12756	7.7
203.10638	2.4
203.14279	3.3
205.05011	4.3
205.12263	8.4
207.11760	4.7
207.13811	22.7
211.11246	5.1
213.12775	3.2
215.07028	2.6
215.10703	5.0
215.14389	4.1
217.12236	12.0
219.13721	4.4
223.06059	4.1
225.09210	3.3
225.12758	8.3
227.10808	2.9
227.14427	3.7
229.12206	12.5
231.13721	2.4
233.15323	4.1
235.11159	2.9
241.12231	2.9
243.10159	5.2
243.13737	12.7
245.11649	3.2
245.15417	7.8
253.12230	13.2
255.13751	3.1
257.11777	5.0
261.14801	12.3
261.18500	2.8
271.13257	16.3
273.14813	4.4
275.12955	4.3
279.15897	2.7
281.11707	5.5
289.14337	25.9
289.21539	3.0
299.12701	20.3
307.09695	3.6
307.15402	19.3
317.10306	2.8
317.13858	37.4
317.21118	9.2
317.73303	2.6
335.05582	5.3
335.08975	5.2
335.14902	100.0
335.22253	9.5
336.15045	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	335.1486
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	8.4
53.77369	1.9
55.01867	34.1
55.05508	21.3
57.03423	6.9
62.65466	1.7
65.03931	4.2
67.05141	2.3
67.05501	43.7
69.03419	9.5
69.07056	20.1
70.91454	5.3
70.91790	1.9
71.04981	5.6
79.05482	58.2
81.03407	57.7
81.07045	47.6
83.01332	4.6
83.04971	8.7
83.08604	17.3
85.02894	8.4
85.06530	6.1
91.05470	62.9
92.05764	2.0
93.03409	4.4
93.07033	52.9
93.07538	1.8
93.31479	1.9
95.01337	14.0
95.04957	28.2
95.08593	35.2
97.02877	8.6
97.06543	9.6
97.10120	4.8
97.31492	1.9
99.04472	2.9
101.02333	2.0
103.05476	8.4
105.03385	4.7
105.07018	42.8
107.04964	26.4
107.08580	23.6
109.02882	8.6
109.06506	9.6
109.10136	12.3
111.04421	3.3
111.08057	4.9
113.02345	3.6
115.05449	13.2
117.07005	30.5
117.07789	2.7
119.04903	16.4
119.08559	25.8
121.02841	14.0
121.06490	44.7
121.10128	16.6
123.04421	5.4
123.08050	8.8
123.11697	3.6
125.02332	38.4
125.05965	4.0
125.09618	4.3
127.03882	4.0
128.06236	8.2
129.06996	25.1
130.07753	2.6
131.04909	16.3
131.08553	27.7
132.08061	4.1
133.06502	20.6
133.10092	18.6
135.04385	20.7
135.08037	19.2
135.11676	8.9
137.02309	3.1
137.05966	8.2
137.09599	6.4
139.03888	12.1
139.11217	2.1
141.01822	2.9
141.06956	12.4
142.07785	5.0
143.08531	13.2
143.68394	1.9
145.06458	16.6
145.10095	22.2
147.04402	21.7
147.08063	13.2
147.11688	6.8
149.05969	19.0
149.09584	18.1
149.13229	5.0
151.03859	7.9
151.07561	4.8
151.11229	6.3
153.05434	5.8
153.06969	2.8
154.07729	2.9
155.03430	4.7
155.08495	10.1
157.06453	7.8
157.10052	10.5
159.04395	3.8
159.08012	10.4
159.11703	16.1
160.07550	29.7
161.05966	11.3
161.09618	7.8
161.13283	9.2
163.03917	11.2
163.07529	11.7
163.11154	9.3
165.05513	2.7
165.06949	3.5
166.07687	2.2
167.07155	2.9
167.08554	5.9
168.05598	2.3
169.06551	4.4
169.10083	12.6
171.04352	2.9
171.08049	6.2
171.11679	22.3
173.06003	9.6
173.09572	2.8
173.13327	5.3
175.03931	4.8
175.07579	4.0
175.11223	5.4
176.14395	13.7
177.05449	4.6
177.09154	2.8
177.12762	19.1
179.07062	3.7
179.08546	3.4
179.10611	2.6
179.14174	2.2
181.10129	5.0
183.08011	2.9
183.11696	7.7
185.05937	3.6
185.09534	4.2
187.03879	2.5
187.07498	3.9
187.11189	19.3
189.05548	3.7
189.09241	2.5
189.12718	13.3
191.14360	3.8
193.10045	2.0
195.06433	2.6
195.11714	2.8
197.09673	8.0
197.13248	4.5
199.11179	16.4
201.05493	2.3
201.12738	6.3
203.10628	4.5
203.14113	2.3
205.05052	2.4
205.12206	26.7
207.11821	4.9
207.13774	50.8
207.15646	3.8
211.11212	4.3
213.12767	2.2
215.10698	6.6
215.14423	4.5
217.12227	8.3
219.13678	2.2
220.09123	2.0
223.05948	2.6
223.13301	3.8
225.09123	4.3
225.12762	6.8
227.10654	2.6
227.14365	3.6
229.12170	10.7
233.07971	2.5
233.11761	5.7
233.15500	7.5
235.13400	4.8
239.10672	4.7
243.10156	2.7
243.13774	14.2
245.15448	7.7
247.13362	4.0
253.12163	10.0
255.13786	4.8
257.11618	3.8
261.14883	21.1
263.16486	2.5
269.13968	4.1
271.13211	18.0
273.14792	7.2
275.12869	4.9
281.11862	5.0
289.14313	41.8
291.15768	2.4
299.12750	27.4
307.15399	19.5
317.13834	32.0
317.21265	4.2
335.08951	3.8
335.14896	100.0
335.20895	12.7
336.15274	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	335.1234
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	0.4
55.01868	9.8
55.05509	1.1
56.05033	0.6
57.03397	0.4
60.05633	0.4
67.05498	1.1
67.31854	0.4
69.03422	0.8
69.07044	1.2
70.06583	7.1
71.04996	0.6
71.06907	0.5
72.08136	3.5
73.02910	0.9
73.08454	0.4
79.05474	1.1
81.03376	0.5
81.07056	0.9
83.04981	0.4
83.06084	0.5
83.08605	1.3
84.04501	2.6
84.08159	2.3
85.02893	1.2
85.04807	0.5
86.09698	3.6
91.05480	2.5
93.07040	0.6
94.06551	1.0
95.04943	0.7
95.06068	0.4
95.08595	1.2
96.04522	0.5
98.06034	0.6
98.97576	0.5
105.07023	1.0
106.06561	0.6
107.08585	0.5
108.04453	1.3
108.08099	0.5
109.02865	0.6
109.10146	0.7
110.06042	0.9
110.07194	0.6
111.04380	0.4
114.10302	0.5
114.52358	0.4
116.07088	1.3
118.06540	1.0
119.04972	0.6
119.08578	0.7
120.04475	0.5
120.08096	1.7
121.08402	0.5
121.10120	0.4
122.06004	1.6
123.05553	0.4
124.03951	0.5
124.07562	0.7
126.05496	1.1
129.06868	0.4
129.10202	1.0
130.04977	0.9
130.08559	0.5
131.08575	0.5
132.08066	0.7
133.10162	0.5
135.04390	0.5
135.08087	0.7
136.07549	1.6
137.09590	0.8
138.05513	0.5
140.07065	1.0
144.08093	1.0
146.05980	2.5
147.04405	1.2
147.06317	2.1
148.03925	0.6
148.07527	0.7
150.05518	1.2
154.05014	0.9
155.10573	0.5
156.08054	0.9
157.06436	0.5
158.05971	0.7
159.09155	0.6
160.07556	1.0
160.09561	0.4
162.05511	0.5
162.09088	0.8
164.07082	1.3
166.04955	0.6
167.07231	0.6
168.06544	1.8
170.06032	0.5
170.09651	1.2
172.07584	1.4
172.11195	0.8
173.07002	0.5
173.10764	1.2
174.05550	0.5
174.09128	1.1
176.06863	0.4
178.08620	2.2
182.09694	0.6
183.14905	0.6
184.07582	1.4
186.07771	0.7
186.09204	1.0
187.08653	0.6
188.07066	3.1
189.07469	3.1
194.08112	0.6
197.10716	0.8
197.95998	0.6
198.09180	2.6
199.08676	2.4
200.07066	1.7
200.09085	0.6
200.10941	2.2
201.06590	1.4
201.10225	6.4
202.08655	1.4
205.09792	1.1
206.15350	0.5
210.09122	0.5
212.07077	1.1
212.09143	0.5
213.10255	1.3
214.07327	1.3
215.08136	2.6
215.11809	1.3
216.08926	1.6
217.09708	1.8
219.11333	1.2
225.10204	1.4
226.08560	2.5
227.08110	3.1
228.06708	0.9
228.10411	4.1
229.06161	0.9
229.09680	9.9
230.08284	0.7
230.10394	1.0
243.07645	1.5
243.11285	6.3
244.08444	1.6
245.09167	3.9
247.10712	2.0
247.20032	0.7
253.09711	1.6
254.08130	2.1
254.14020	0.5
256.08530	1.0
257.09195	15.9
258.09991	2.5
261.12338	0.6
264.15729	0.5
265.11813	1.2
271.10757	10.6
271.13718	0.7
272.09250	1.3
275.10406	0.7
281.09344	0.7
284.07794	0.6
287.10281	1.5
289.11795	7.3
293.09216	0.5
299.10242	11.8
300.08487	0.9
302.08862	1.6
307.12875	2.9
317.11292	100.0
318.11591	3.3
335.12277	18.1
335.23129	0.7
336.12479	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.2949
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.6
55.01870	0.7
55.05505	5.6
56.05033	3.2
57.03437	0.9
57.07070	3.0
58.02958	0.7
60.04519	100.0
61.04844	0.5
62.38412	0.3
67.05498	10.1
68.05024	1.0
69.03401	0.4
69.07062	6.8
69.07420	0.5
70.06576	1.2
71.05001	0.4
71.08617	0.8
71.74668	0.3
71.75133	0.3
72.04507	2.9
73.02927	0.3
74.06064	1.8
79.05491	3.1
80.05006	1.4
81.03410	0.6
81.07048	10.9
82.06562	2.2
83.04973	0.9
83.08612	5.9
84.04510	0.7
84.08148	0.4
85.02945	0.4
85.10184	0.9
86.06065	0.7
88.07648	0.4
90.05550	1.1
91.05466	2.1
93.07050	3.9
94.06564	0.9
95.04972	0.6
95.08602	11.3
96.08116	1.3
97.06539	0.9
97.10152	3.1
98.06057	1.0
98.20931	0.3
98.98467	0.5
102.05545	2.4
105.07027	1.4
107.08595	1.8
108.08142	0.4
109.06503	0.6
109.10146	5.3
111.11716	1.5
116.07088	1.4
119.08582	0.9
120.06557	0.6
120.08049	0.4
121.10143	1.3
123.11698	2.1
133.10161	0.7
135.11681	1.1
137.13232	0.9
147.11688	0.4
149.13326	0.5
151.14793	0.6
191.17970	0.4
207.21133	0.5
209.18971	0.5
212.09824	0.4
219.21037	0.4
221.22641	1.2
226.62347	0.3
239.23660	1.4
250.25328	1.2
251.23676	0.5
252.26837	0.4
262.25317	1.4
263.23560	0.6
268.26334	0.8
280.26306	9.4
298.27386	18.5
299.27667	0.4
316.28439	42.6
317.28796	1.5
326.66614	0.3
334.29489	32.2
335.29776	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.2372
Annotation	CARBETAPENTANE
Peak:m/z	Relative Intensity
55.05489	0.3
56.16969	0.1
56.85452	0.1
56.96533	0.1
66.52189	0.1
67.05485	0.3
69.03400	0.1
69.07050	0.4
70.06563	0.2
75.05515	0.1
79.05460	0.3
81.03374	0.1
81.07036	0.4
85.66158	0.1
91.05460	0.5
93.07018	0.4
95.08580	0.3
98.79324	0.1
98.98432	0.2
105.07011	0.4
106.06534	1.4
107.07320	0.3
107.08574	0.3
109.02863	0.1
109.10113	0.1
115.05427	0.1
117.05743	0.7
117.06978	0.1
118.06525	4.6
119.08588	0.2
120.08072	0.4
121.06474	0.1
121.10115	0.2
129.06949	0.2
130.06494	0.7
131.07291	1.7
131.08379	0.1
131.08588	0.1
132.08069	2.4
133.08836	0.5
133.09990	0.1
134.09613	0.6
137.05925	0.1
137.08292	0.1
144.08095	0.6
145.08813	0.2
145.10115	0.1
146.09628	3.5
147.04391	0.1
147.10017	0.2
147.11665	0.1
148.11136	0.2
151.09921	0.3
157.10051	0.1
158.09648	0.3
159.10338	0.1
160.11191	2.3
162.09119	7.2
162.12714	0.3
162.72733	0.1
163.09778	0.3
164.10635	0.2
169.35748	0.1
172.11189	0.4
173.11844	0.2
174.09135	0.4
174.12793	0.6
175.09871	0.1
176.10684	5.0
177.11446	0.9
178.12227	0.1
186.12750	0.2
187.11232	0.1
188.10721	0.1
188.14279	0.2
190.12238	10.8
191.12669	0.3
193.89195	0.1
202.15840	0.2
204.13803	1.6
205.14391	0.1
206.15341	0.3
218.15364	0.4
232.16946	0.3
244.20564	2.1
246.18610	0.1
260.16721	0.1
263.31659	0.1
272.20056	11.5
273.20288	0.8
290.17862	0.1
290.21100	1.7
316.22644	0.6
334.23706	100.0
335.11731	0.1
335.24060	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	334.2373
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	0.2
57.07062	0.2
60.04507	0.2
67.05479	0.2
69.07057	0.3
70.06567	0.3
71.06429	0.4
79.05467	0.3
81.07037	0.5
91.05458	0.4
93.07020	0.3
95.04963	0.2
95.08576	0.4
98.98499	0.2
105.06998	0.4
107.04853	0.2
107.07311	0.4
107.08549	0.2
109.06478	0.2
117.05739	0.6
118.06528	6.8
119.08574	0.2
121.10072	0.2
126.82136	0.2
130.06496	0.6
131.07315	0.9
131.08205	0.2
132.08075	3.8
133.08829	0.6
133.09895	0.1
134.09637	0.3
144.08067	0.6
145.08929	0.4
145.10022	0.2
146.09627	2.9
147.10446	0.2
148.11194	0.3
158.09619	0.6
160.11214	1.6
162.09125	6.7
162.12697	0.3
166.52179	0.2
172.11108	0.3
174.09189	0.2
174.12764	0.5
176.10680	7.1
176.14096	0.3
177.11472	1.2
186.12704	0.2
188.14296	0.4
190.12233	3.4
191.13011	0.1
204.13814	1.2
218.15424	0.3
232.16841	0.2
244.20485	1.0
256.85614	0.2
260.12881	0.3
272.20059	10.9
273.20358	0.5
290.18085	0.1
290.21103	3.2
291.21432	0.2
304.19019	0.2
316.19363	0.2
316.22693	0.6
318.20752	0.2
334.23721	100.0
335.24078	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	334.2216
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	0.5
55.05490	1.3
56.05024	3.7
60.05621	1.1
67.05192	0.6
67.05496	6.8
69.03434	3.3
69.04545	0.5
69.07043	2.0
69.71844	3.9
69.94173	0.6
70.06578	7.1
71.04966	0.6
72.08138	1.5
79.05502	2.8
81.07047	10.7
83.06066	0.8
83.08597	1.2
84.04485	1.4
84.08112	1.0
85.06535	0.6
86.05540	1.0
86.06055	16.6
86.09698	6.0
87.04458	13.7
91.05466	5.7
92.28138	0.6
93.07022	1.9
94.06515	0.5
95.04944	0.7
95.06077	0.9
95.08616	1.2
96.08115	2.4
98.06042	31.5
98.20719	1.0
98.98422	0.8
101.96075	0.5
104.07076	0.8
105.03360	1.5
105.07011	1.9
107.04929	1.0
107.08573	1.9
108.83836	0.5
109.06535	0.5
109.10173	2.3
110.07175	1.2
111.05537	1.6
112.07576	2.4
114.10284	1.3
120.04440	1.1
123.11685	1.7
124.06763	0.9
124.07582	10.0
126.06653	0.9
130.06558	2.4
132.04451	2.7
133.04767	1.6
133.10110	6.5
134.05972	0.6
137.05949	0.8
138.09111	0.5
151.06128	1.2
151.11171	13.3
152.54108	0.5
157.07588	1.5
158.06021	2.7
159.09218	0.5
162.05428	0.6
164.07039	0.8
165.07381	1.1
168.12500	0.8
168.13832	7.4
175.04152	0.5
175.08664	5.4
180.68929	0.5
186.14867	2.0
202.09825	0.5
203.03432	1.1
203.08110	1.6
203.09988	0.9
204.06525	0.5
208.16891	0.6
217.09732	0.7
218.09955	1.0
221.04407	0.6
221.09190	8.4
231.09477	0.7
236.16414	18.7
245.09137	1.1
246.09531	5.6
254.17229	0.6
258.10648	1.7
259.11841	1.9
260.12231	10.1
263.06985	0.8
272.18530	100.0
273.18915	4.0
277.08524	1.8
279.06421	0.8
285.11856	0.8
287.10269	1.1
291.06555	1.9
291.14465	1.7
292.07336	1.9
292.14795	19.6
293.14603	0.6
302.12405	0.7
303.12726	10.8
304.13083	0.6
305.07935	1.5
306.08655	4.4
307.09445	1.3
316.17227	1.0
316.21133	22.1
317.21439	1.5
334.08035	5.4
334.16962	16.7
334.22076	10.7
335.05161	1.1
335.09064	16.6
335.17203	1.0
335.22348	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.1493
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.4
54.03464	0.9
55.01867	1.0
55.05308	0.7
55.05514	7.5
57.03415	3.1
58.06591	1.1
60.04518	1.0
61.02913	2.4
67.05485	1.9
67.57815	0.8
69.03424	9.2
69.07053	2.0
70.06586	5.2
70.52921	2.9
71.04980	3.4
72.08142	2.1
73.02901	1.5
79.05479	4.4
81.03409	4.4
81.07051	19.1
83.04961	1.6
83.08603	6.1
84.04510	1.0
84.08142	3.2
85.02900	22.2
85.06534	5.6
86.06065	1.6
86.09692	3.1
87.04461	3.0
91.03935	1.1
91.05454	2.8
93.07021	1.8
95.04977	1.1
95.08587	1.2
97.02887	8.4
97.06504	0.8
98.06046	2.4
98.09677	3.7
98.97576	3.1
98.98441	2.7
99.04459	1.6
99.08081	2.0
108.04496	0.7
108.08097	3.8
109.02887	1.8
109.06506	16.6
110.06038	1.4
110.07154	1.7
110.09686	1.0
111.08105	1.3
112.07615	2.8
116.98618	2.4
120.08091	1.6
124.07564	1.5
125.09650	1.0
126.09145	52.4
127.03912	3.4
127.07539	17.9
127.09509	1.2
129.07004	1.1
130.06520	2.4
130.08612	4.1
136.07573	2.0
136.94795	0.9
137.05951	3.1
138.05458	0.8
144.08052	1.0
145.04944	1.6
147.04376	1.4
150.05479	1.6
151.07452	0.9
154.08617	61.5
155.07019	33.3
155.08412	0.9
155.08957	1.9
156.08148	2.1
172.09677	100.0
173.08130	1.5
173.09985	2.0
177.00641	1.0
177.09009	1.0
184.13333	3.0
195.10201	0.9
209.55005	0.9
226.08649	1.4
229.09575	1.2
237.02744	1.4
244.09569	0.9
271.10831	2.0
289.11768	1.7
293.09027	3.3
298.16565	4.8
304.56082	0.8
316.17572	2.3
317.11133	4.1
334.09030	11.6
334.15115	1.4
334.18570	4.6
335.09009	1.7
335.12323	3.3
355.64285	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.1064
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69643	1.7
53.87694	1.2
55.01862	2.8
56.05027	13.1
58.99581	11.4
68.05020	2.4
70.06587	2.7
71.46995	1.9
71.47320	2.2
74.02427	3.2
74.06077	1.7
75.02704	1.9
76.02223	13.1
76.04000	2.8
80.69420	1.2
81.03400	1.4
82.06589	9.2
82.85659	1.2
84.04496	92.9
85.01123	91.5
85.02867	2.2
86.01472	1.6
86.09723	1.5
86.83652	1.2
86.99041	3.4
87.02686	3.0
88.02201	2.8
93.83687	1.2
98.98473	1.8
102.03756	100.0
102.05531	57.6
103.04082	1.8
104.01715	1.4
110.06033	3.9
112.03968	2.0
116.01657	16.2
126.03716	1.6
128.07077	4.3
130.03239	7.7
130.04987	13.0
136.61856	1.6
142.03206	1.9
144.01131	3.0
149.31284	1.5
156.06543	28.7
158.29036	1.3
162.02203	8.5
168.04765	11.3
172.04245	2.5
179.04846	6.1
182.79564	1.2
187.14389	2.1
188.03777	23.0
196.04333	2.3
205.06410	67.2
231.07967	6.4
241.06564	2.2
259.07581	8.8
304.60281	1.4
317.07913	2.4
324.00690	1.5
334.10635	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	334.1393
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05020	1.5
59.81818	0.3
60.04531	0.5
61.01136	0.4
69.07048	0.5
70.06590	6.1
71.75022	0.6
72.08141	1.7
79.08070	0.3
83.06048	0.6
84.04496	26.3
84.08138	2.3
85.02863	0.4
85.04852	0.4
86.09702	4.2
91.05465	1.4
98.14146	0.4
98.98464	0.8
102.05544	0.9
110.03194	0.4
110.07130	1.2
112.08704	0.5
115.05475	1.1
116.04916	0.5
116.07100	1.3
117.05755	0.7
117.07028	1.1
118.06532	16.5
119.06860	0.4
120.08091	2.2
124.13503	0.4
129.06644	0.4
129.10268	0.6
130.05003	5.6
130.06508	2.3
132.08081	6.0
136.07561	0.6
141.10132	0.4
142.06543	2.3
143.07274	1.8
144.04453	0.7
144.08073	12.1
145.08429	0.6
146.05994	58.2
147.06340	2.0
157.13336	1.4
158.06041	0.5
159.09160	12.6
160.07559	0.7
162.04495	0.4
169.07628	0.5
170.06010	5.6
188.07054	100.0
189.07416	3.3
202.09529	1.8
205.09718	19.5
206.10028	0.9
225.10193	8.1
226.10631	0.4
263.13928	0.6
271.10678	1.6
317.11221	3.1
334.13885	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	334.0991
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06090	0.8
55.01846	1.3
55.05501	1.0
56.05020	0.8
56.96558	3.9
57.03419	2.2
60.04519	0.9
69.03406	2.8
70.02011	2.2
70.02442	2.2
70.06576	3.2
71.04865	0.9
72.08147	4.8
72.93750	0.8
73.02911	1.2
73.50326	0.7
80.50822	0.7
83.58224	0.7
84.04482	3.6
84.08126	3.3
85.01112	1.9
85.02914	4.4
86.03566	5.3
86.05939	1.7
86.09679	4.3
91.05479	0.8
96.04428	0.7
97.02879	1.8
98.97549	2.4
98.98484	0.9
100.07571	0.9
102.03732	2.2
102.05534	1.4
108.08114	2.4
109.08427	0.7
110.03568	0.7
110.07178	1.3
112.06185	1.6
113.04604	9.4
113.07001	0.9
115.03889	1.3
116.98602	1.4
119.01916	1.5
123.05566	0.7
126.05399	0.9
127.03918	0.9
128.07076	1.4
129.10233	1.1
131.01909	0.8
133.03502	1.0
133.04913	0.7
136.06097	0.7
139.02470	2.4
140.05670	2.4
141.04198	3.3
141.06435	100.0
142.04845	1.0
142.07236	5.3
142.08606	0.7
144.02704	1.0
146.97353	1.0
147.04324	1.6
152.05655	29.3
152.06917	1.6
153.04022	1.6
154.07239	2.1
154.08614	2.1
155.01825	0.9
158.99612	0.9
159.11226	1.2
168.05154	5.2
169.05928	54.1
170.05374	1.0
170.06729	8.4
172.09637	2.2
180.05174	2.4
184.04657	2.2
185.02907	0.7
185.05356	1.1
187.10735	1.0
198.06236	1.3
202.05693	33.6
203.03940	1.0
205.06406	0.8
221.05083	1.2
222.05228	1.4
226.05736	0.9
227.06329	3.5
232.06932	1.8
237.02783	1.0
239.02217	0.7
273.10626	6.8
274.08487	1.3
288.09955	1.3
288.83505	0.7
292.09274	0.7
297.03586	0.7
301.10135	15.8
311.00522	1.2
316.13062	1.3
334.10199	4.1
334.14127	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2056
Annotation	Gibberellin A12
Peak:m/z	Relative Intensity
55.05495	11.1
57.07071	14.1
67.05494	14.2
69.07067	7.2
70.41997	18.0
71.08612	12.4
79.05489	10.6
81.07053	24.1
85.10208	5.1
87.04464	4.8
89.06023	12.3
91.05454	16.6
93.07066	10.0
95.08598	25.8
97.10144	12.5
98.98449	35.1
105.07022	18.6
107.08583	13.2
109.06522	5.9
109.10143	32.3
114.65624	4.5
117.06981	6.5
119.08561	10.0
121.06515	5.3
121.10123	5.7
131.08574	11.0
133.10120	8.3
135.08060	8.8
135.11627	4.5
137.09608	26.0
143.08533	11.1
145.10100	16.1
147.08020	4.7
147.11688	7.3
151.09668	6.1
157.10126	10.4
159.11679	14.0
163.11099	4.2
163.65749	4.1
169.10135	6.2
171.11639	7.0
173.13190	5.9
176.58397	4.6
180.72745	4.9
185.13191	7.7
190.14444	4.4
191.10663	13.0
211.14883	6.4
227.17862	6.7
229.16008	6.6
231.13747	10.6
231.17412	9.3
241.19540	43.8
251.17966	16.3
259.20532	16.2
269.18991	88.6
287.20032	100.0
287.23068	9.5
315.19507	76.9
333.20502	21.1
333.33456	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2057
Annotation	Aldovibsanin C
Peak:m/z	Relative Intensity
55.05513	5.3
55.05729	0.9
57.07057	2.1
59.78794	0.9
60.98538	0.8
67.05511	5.2
67.05821	0.8
69.07067	8.3
71.73315	1.5
77.08887	0.9
79.05482	1.6
81.07037	6.1
83.08604	4.0
86.95390	0.8
91.05489	2.3
93.07024	2.6
95.08612	9.8
97.10155	1.2
98.98454	10.9
105.07001	2.1
107.08572	2.8
109.10163	6.1
119.08543	2.2
121.10130	1.9
123.04369	1.5
129.07027	1.5
135.11668	1.6
142.07742	1.4
143.08536	2.5
145.06502	1.6
145.10104	1.1
149.05957	2.1
153.07115	1.4
157.06465	3.8
157.10106	3.0
159.08049	1.8
159.93692	0.9
161.05972	2.9
163.07513	3.9
165.09091	5.7
167.08533	2.5
169.10196	1.1
171.08046	6.3
171.11720	1.6
172.08789	1.0
173.05899	1.5
175.07516	5.3
176.98877	1.9
177.05502	2.3
177.09076	1.8
178.12175	1.3
179.06993	3.2
179.10619	3.1
181.06508	2.6
181.10083	1.4
185.09630	3.7
187.07539	1.4
189.05421	2.2
189.09056	4.8
191.10631	1.5
195.08037	4.8
197.09647	2.0
198.06729	2.2
199.07565	5.8
199.09041	0.9
199.11140	2.2
202.09801	1.1
203.06862	1.9
203.10657	5.1
205.08583	2.9
205.12196	8.2
207.10077	2.1
208.08745	0.9
209.09639	1.5
209.13242	3.1
211.07610	1.1
211.11064	1.5
213.09116	7.3
213.12823	1.7
215.10654	3.2
216.07779	1.9
217.08621	3.1
217.12216	13.0
219.10103	11.9
219.13718	2.2
222.10364	2.2
227.10622	2.0
229.12286	3.0
231.10161	13.2
231.13698	7.0
233.11693	9.7
237.12729	9.2
239.10571	2.3
240.11478	1.1
241.12241	9.3
243.13702	2.0
245.11734	5.4
245.15414	2.8
247.13248	1.5
254.13023	3.1
255.13815	11.5
257.15347	5.2
259.13300	7.8
269.18979	1.8
271.16888	1.9
272.13983	1.3
273.14868	7.8
279.17462	5.7
287.20010	16.3
297.18402	16.4
297.21454	1.3
315.19528	100.0
316.19809	3.0
332.34152	2.6
333.20578	27.7
333.24335	1.9
333.34595	4.4
334.23611	4.2
355.99326	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2055
Annotation	Gibberellin A12
Peak:m/z	Relative Intensity
55.05495	9.6
57.07060	4.3
60.54440	4.5
66.28968	4.4
67.05481	18.6
69.07057	5.2
69.90631	28.8
72.64726	4.4
72.88338	5.3
73.91341	4.5
79.05473	13.8
81.07049	22.0
82.97883	4.3
89.06023	4.8
91.05459	19.1
93.07025	19.3
95.08596	23.4
97.10153	10.2
98.98432	32.5
105.06992	15.3
107.08575	9.5
109.10146	41.1
117.06991	12.8
119.08532	8.3
121.06487	9.5
129.07033	5.5
131.08543	16.1
133.10149	7.7
137.09579	28.0
143.08513	5.7
145.06487	4.6
145.10110	7.2
145.32794	4.6
147.60376	4.8
149.09586	5.3
149.13269	4.7
155.08569	6.5
157.10141	8.8
159.11630	9.6
161.09509	4.8
161.13187	5.0
169.10115	8.8
171.11644	10.2
185.13191	9.0
187.11131	7.8
191.10638	14.2
195.11592	4.9
199.14699	5.9
205.76117	4.6
209.13226	5.4
211.14812	10.3
213.12779	7.0
213.16336	9.5
227.18011	6.6
229.15930	9.1
231.13786	13.4
231.17343	8.0
241.19498	37.6
251.17908	13.6
259.20599	22.3
269.18970	93.4
287.20041	100.0
315.19547	63.4
333.20557	27.3
333.24011	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2056
Annotation	Gibberellin A12
Peak:m/z	Relative Intensity
53.28538	1.8
54.60645	1.5
55.05501	7.4
55.13898	1.7
56.05027	7.3
57.05822	2.0
58.19099	1.7
60.05655	3.2
67.05497	11.3
69.03425	2.0
69.07066	4.3
69.44645	10.8
69.45074	7.3
70.06593	6.4
70.20235	1.7
71.30609	1.6
79.05479	10.0
81.07047	18.8
83.06108	2.8
84.08141	3.3
87.45986	2.0
91.05484	12.1
93.07027	11.5
95.04978	1.8
95.06095	4.3
95.08593	16.2
97.10188	7.5
98.98456	4.9
105.03338	2.6
105.07037	11.0
107.04934	1.9
107.08588	9.8
109.10149	27.6
111.05542	13.2
113.07121	4.6
117.07008	5.1
119.08562	12.3
120.04467	6.6
121.06509	6.9
121.10131	4.7
123.05608	2.5
126.06650	6.2
129.07016	5.5
130.06552	2.1
131.08559	10.2
132.04425	16.8
133.10138	7.2
134.06003	5.6
135.08083	3.8
135.11703	3.7
137.05954	2.3
137.09593	26.1
140.08174	3.2
141.06949	2.4
143.08553	9.1
144.09296	2.1
145.06509	2.8
145.10115	8.5
147.08092	5.0
147.11673	4.9
149.09641	2.2
149.13214	2.2
151.06168	10.2
155.08539	6.0
157.10129	8.2
159.08026	2.2
159.11647	9.2
161.09639	2.9
161.13248	3.4
162.05586	3.5
163.11223	3.3
164.07045	10.0
169.10121	5.0
171.08090	2.8
171.11688	7.5
172.08815	2.3
173.09607	4.0
173.13319	3.9
179.08237	2.1
181.10152	2.5
183.11694	3.9
185.13312	6.7
185.74878	1.7
186.10394	2.7
187.11212	11.3
189.12773	2.2
191.10596	12.5
195.11699	3.9
197.13426	2.1
199.11162	4.5
199.14821	3.2
201.12778	4.3
202.09709	9.0
203.08142	1.9
205.12323	4.7
209.13263	4.7
211.14833	7.0
213.12802	3.7
213.16377	5.2
217.09776	7.6
225.16353	3.6
227.17941	3.5
229.12245	7.3
229.15971	2.4
230.09335	5.6
231.13844	7.7
231.17496	4.7
232.10843	4.1
239.32428	1.9
241.16124	2.4
241.16847	2.5
241.19508	25.0
242.09297	3.1
245.09171	29.8
251.17915	11.2
257.10373	5.4
257.19101	3.6
259.11893	51.8
259.14523	3.4
259.20694	13.6
260.12323	2.2
269.18997	68.3
270.19092	2.0
274.12091	2.7
284.11487	5.2
287.20041	69.6
291.14487	100.0
292.14896	6.9
297.18555	2.4
301.14014	3.2
302.12448	54.6
302.15817	3.5
303.12405	3.2
315.19534	57.3
316.14145	3.3
333.16754	97.4
333.20599	18.1
334.16498	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	333.2056
Annotation	Gibberellin A12
Peak:m/z	Relative Intensity
53.82175	1.6
55.05503	7.8
56.02922	1.7
56.05039	2.9
56.96551	2.4
57.03443	1.8
60.04512	4.5
60.05654	2.8
64.21387	1.7
67.05494	12.3
69.07055	6.3
70.06577	4.0
71.76200	3.2
79.05497	10.2
81.07051	24.6
84.08145	3.8
86.09692	2.5
91.05463	9.8
93.07042	10.5
95.08607	18.4
96.01147	1.6
97.10169	13.0
98.98452	25.4
100.11246	3.3
105.07007	11.7
107.04946	4.5
107.08595	12.4
108.08889	2.7
109.06515	2.4
109.10146	36.7
111.05556	3.2
111.08066	1.8
116.75209	1.6
117.07006	6.6
119.08564	10.1
120.04466	2.5
120.08089	2.6
121.06498	6.8
121.10087	3.5
123.11669	2.9
126.06588	3.1
129.06989	5.9
131.08563	13.8
132.04439	5.2
133.06494	2.9
133.10126	8.6
135.08054	7.4
135.11636	3.1
137.05986	20.6
137.09593	28.6
139.07565	2.3
140.08189	1.7
141.06985	1.8
143.08524	9.8
143.45107	1.7
145.06488	4.7
145.10109	11.9
147.08034	5.6
147.11687	6.0
149.09631	4.0
149.13293	2.3
151.06061	3.8
151.11205	1.8
155.08528	6.7
157.10121	7.6
159.08015	3.1
159.11671	10.4
161.09631	2.3
161.13278	4.3
163.07591	1.9
163.11221	5.2
164.07021	5.7
167.07054	18.1
167.08406	3.4
169.10098	5.4
171.08136	2.0
171.11670	9.1
173.09613	4.0
173.13271	5.6
175.11195	2.6
177.12782	3.5
181.10144	1.7
183.11731	4.1
185.13271	7.8
187.11182	6.9
189.12773	3.5
191.10655	16.7
195.11662	4.8
197.13260	2.9
199.11163	5.2
199.14807	2.4
202.09781	3.6
205.12248	4.0
209.13274	4.3
211.14740	8.9
213.12723	5.8
213.16350	7.0
217.12250	3.2
223.14777	4.4
225.16512	3.3
227.17912	6.3
229.15869	4.5
230.09288	4.6
231.13800	14.4
231.17430	9.8
241.15840	2.7
241.19487	41.2
245.09244	11.8
251.17918	19.7
259.11887	22.5
259.20660	16.2
269.18991	94.2
270.19312	3.5
284.11359	3.1
287.20044	100.0
288.09790	8.6
288.20441	3.1
291.14532	36.6
297.26004	2.0
302.12463	23.4
303.12436	3.4
315.19534	63.5
315.27258	2.1
316.19977	4.8
318.08984	2.5
333.11078	6.6
333.16669	37.3
333.20599	24.6
333.28360	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	333.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	3.1
55.82225	1.2
58.85489	1.1
67.05492	2.8
69.07072	2.9
69.52411	1.0
71.73193	1.0
72.04533	1.2
79.05486	3.5
81.07047	5.6
83.08604	1.3
91.05466	2.1
93.07014	5.6
95.04983	1.5
95.08605	2.9
98.98459	16.0
105.07034	4.0
107.08601	3.0
109.10131	1.5
117.06989	1.3
119.08591	3.4
121.06493	4.6
121.10194	2.0
123.08095	1.4
131.08499	2.3
149.09695	1.1
163.11246	1.4
165.12740	1.7
176.98917	1.7
177.12769	2.8
261.22272	1.4
289.21597	3.5
333.20407	100.0
333.24295	17.9
334.20779	3.2
343.64462	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05494	0.5
69.07067	0.6
69.61316	3.8
69.61739	1.5
70.87560	0.7
76.58247	0.6
79.05460	0.6
81.07048	0.7
91.05453	1.1
95.08606	0.8
98.98447	4.1
105.07044	1.1
176.98929	0.6
235.13025	3.6
251.12544	1.3
297.03897	0.6
333.20331	100.0
334.20572	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2034
Annotation	Unknow
Peak:m/z	Relative Intensity
55.75222	0.6
55.92037	0.6
61.35757	0.7
67.05489	0.8
77.00882	0.9
81.07028	0.8
95.28844	0.7
98.20692	2.0
98.98466	10.8
100.98827	0.9
109.10135	0.6
202.54100	0.7
202.71227	0.7
211.86050	0.6
242.65771	0.7
243.14401	1.9
263.12701	0.7
264.52252	0.7
275.74387	0.7
333.20349	100.0
334.20764	2.2
351.19504	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45836	0.8
57.07045	1.1
63.28371	0.8
63.28784	0.8
67.05479	0.9
70.06563	1.9
71.35923	2.2
79.05477	1.2
81.77560	0.9
90.33562	0.8
95.08581	1.2
98.98453	16.9
100.98874	1.4
107.08587	0.9
107.98844	0.8
116.99456	1.2
137.05969	3.1
176.98940	2.0
193.04939	1.4
235.12889	1.2
302.24127	1.1
333.20319	100.0
334.20651	1.4
349.00198	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.5
57.07054	1.9
67.05500	2.4
70.06577	3.1
71.75385	1.5
77.00896	2.0
81.03409	3.8
81.07043	1.6
87.04476	1.4
88.07609	2.4
91.05463	3.0
93.07048	1.7
95.05011	1.4
98.98454	32.5
100.98873	2.3
105.07050	2.7
109.02866	9.1
109.10126	1.3
118.46224	1.2
118.47034	1.2
127.03908	3.4
149.02307	2.8
176.98935	4.3
187.08163	1.2
189.25966	1.1
193.04979	4.5
195.09904	1.5
213.09825	1.4
218.63828	2.3
227.11481	1.3
231.10796	2.8
245.12347	1.4
256.26056	1.6
271.28333	1.8
296.17975	1.8
302.23981	2.8
304.14655	1.3
307.87747	1.2
315.93610	1.2
326.54782	1.5
333.20325	100.0
333.25711	8.6
333.31970	3.7
333.75977	3.4
334.20541	2.8
334.29449	1.3
351.19952	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1901
Annotation	Betulalbuside A
Peak:m/z	Relative Intensity
55.01870	13.3
55.05505	37.8
57.03429	30.1
57.07064	30.2
61.02912	12.2
61.34605	7.7
61.61976	7.9
67.05498	32.7
69.03419	22.6
69.07065	30.2
70.06589	31.3
71.04974	12.9
71.72445	15.0
72.08150	39.1
79.05504	16.5
81.03400	17.1
81.07065	41.8
82.06551	10.2
83.04953	57.4
83.08618	10.1
84.04498	48.4
84.08144	46.3
85.02874	78.4
85.06552	12.3
86.09708	38.0
87.04474	7.8
91.05489	14.4
93.07037	27.0
95.08582	21.7
96.08104	12.4
97.02908	16.2
98.98454	81.0
99.08078	13.3
102.05540	29.9
105.07028	11.3
107.04955	11.6
107.08612	23.8
109.02905	13.6
109.06514	9.2
109.10137	44.8
110.07177	9.7
110.09679	26.0
111.08039	15.2
116.07098	18.9
116.42046	7.9
117.07063	8.9
119.08540	13.0
120.08066	84.9
121.06486	11.8
121.10111	8.4
124.07616	10.5
127.11195	37.3
129.10234	16.0
130.05049	9.0
130.08647	14.5
134.88272	8.4
135.08061	17.7
135.11687	12.8
137.05994	12.0
137.09590	8.3
138.09135	100.0
145.05005	21.1
147.06863	7.8
149.09586	10.7
153.12729	92.9
155.14304	22.9
171.13786	22.3
172.19955	8.2
173.09232	17.4
174.11243	26.3
177.10187	9.4
177.12677	12.1
195.13802	16.9
287.14011	17.2
297.17938	19.9
305.14734	20.8
315.09796	24.0
333.07428	11.6
333.10764	11.5
333.14349	22.5
333.20166	22.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.203
Annotation	Unknow
Peak:m/z	Relative Intensity
53.65903	1.0
55.01873	1.3
55.05495	4.6
56.96544	2.2
57.03421	2.6
57.07061	1.3
67.05505	6.0
69.07064	3.2
71.73153	1.7
79.05490	8.1
81.07056	4.9
91.05483	9.5
93.07021	6.9
95.04931	1.1
95.08585	4.1
96.36413	1.0
98.98470	10.6
103.98600	1.1
105.07023	15.0
107.08572	3.3
109.02885	1.2
109.10146	2.4
117.07001	4.6
117.08175	1.0
119.04986	0.9
119.08558	10.4
121.10112	2.4
129.06981	1.9
131.08545	2.9
133.10112	5.5
135.11713	2.3
143.08519	2.2
145.06453	1.4
145.10059	4.9
147.11641	3.1
157.10136	1.8
159.11661	3.4
161.13268	2.9
163.03790	1.3
171.08076	1.2
171.11778	1.7
173.13249	2.2
185.13223	1.5
189.05548	1.1
191.08504	1.3
193.10114	1.4
203.08533	1.8
221.04443	2.0
223.11220	1.1
227.10982	1.0
241.19402	2.9
242.24731	1.9
245.12247	1.1
257.92764	1.1
259.20544	3.1
286.04102	1.2
287.12549	1.0
297.18784	1.3
305.18808	1.7
315.12183	1.7
333.13235	9.4
333.20526	100.0
333.24252	10.7
334.20792	2.4
334.29520	3.9
351.18204	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1805
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.3
55.01857	1.2
55.05485	1.6
56.05018	1.7
56.38162	0.8
57.03416	1.6
57.07051	2.2
59.04986	1.6
59.98045	0.8
61.02911	2.2
67.05475	2.5
69.03424	5.4
69.07034	2.4
70.06596	3.8
71.01308	0.7
72.08130	1.5
74.02432	0.9
79.05458	0.9
80.90841	0.7
81.03391	2.9
81.07018	2.0
83.08578	1.1
84.04018	1.2
84.04499	14.1
84.08118	2.3
84.26247	0.7
85.02899	17.8
85.06512	2.2
86.06022	1.7
86.09676	3.3
87.04432	1.2
91.05453	2.9
93.07029	1.2
94.51456	0.8
95.04944	1.2
95.08599	9.1
97.02898	3.7
97.06486	2.2
98.98451	6.3
99.02137	0.9
99.08070	2.9
101.07111	2.8
102.05544	1.8
105.06986	1.0
107.08574	3.8
109.02847	1.4
109.06493	2.6
109.10164	4.2
111.08067	1.8
111.11660	0.7
113.09646	9.8
115.05452	1.4
117.06974	3.5
119.08498	1.4
127.03867	1.5
127.11181	7.7
129.06990	1.0
130.04987	20.7
130.06459	1.3
130.07686	1.4
131.08545	14.7
135.11682	3.5
137.05931	0.8
141.06963	1.4
143.08551	1.1
145.04909	3.4
145.10080	1.3
147.07642	10.0
152.07060	1.7
153.12729	20.4
154.07706	1.2
155.14285	1.1
157.08817	1.2
157.10025	1.1
159.07945	0.9
159.11688	22.9
164.07030	1.4
169.10063	3.1
171.07745	0.8
171.10339	1.3
171.13795	8.0
172.08765	1.5
180.08008	0.9
181.10185	1.2
186.12769	8.5
187.11169	100.0
188.11473	2.6
189.12740	0.9
195.10387	3.3
196.11009	1.0
204.13794	3.8
209.13275	1.1
212.09354	1.3
213.10191	1.1
224.14285	4.7
226.10846	1.9
227.11668	1.7
250.84509	0.8
252.13701	3.0
255.11057	1.2
269.16537	1.0
270.10043	4.2
270.14911	1.6
272.11404	3.0
273.12189	2.3
283.10550	1.3
287.13666	1.0
298.14328	11.2
301.11813	23.1
315.09778	1.1
315.13608	1.3
315.16980	18.5
333.07520	1.6
333.14191	4.8
333.18295	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	333.1901
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	1.5
55.05489	1.9
57.03419	2.5
57.07064	2.7
59.04987	2.2
61.02913	2.4
67.05505	3.1
69.03426	8.4
69.07063	3.2
70.06589	4.8
71.04980	1.8
71.12562	1.4
71.12899	0.6
72.08135	2.1
73.02918	0.8
74.02401	0.9
79.05473	1.0
81.03421	3.1
81.07034	2.2
83.08575	1.3
84.04493	12.3
84.08133	2.4
85.02387	1.2
85.02901	21.9
85.06544	2.0
86.06064	1.3
86.09696	3.1
87.04481	1.5
91.03938	0.8
91.05468	2.8
93.07019	2.5
95.04976	1.7
95.08603	13.0
97.02896	5.3
97.06516	1.6
98.06761	0.7
98.98460	5.9
99.04479	0.9
99.08080	4.6
100.98894	0.7
101.07121	3.2
102.05503	2.0
105.07007	1.1
107.08572	2.7
109.02864	2.0
109.06501	1.7
109.10143	3.4
111.08035	3.1
113.09650	9.2
115.05431	1.2
117.07008	3.7
119.08546	1.5
120.08073	1.9
127.03887	4.7
127.11187	9.5
128.06161	0.8
129.06946	1.5
130.04993	21.0
130.07747	2.5
131.08548	16.9
135.11705	5.0
136.07602	0.8
137.06023	0.7
137.09612	0.8
141.07008	1.6
143.08533	1.7
145.04948	4.6
145.10104	1.1
147.07626	9.0
152.07083	1.1
153.12729	23.6
154.07718	1.2
155.14299	1.6
157.06276	0.7
157.08859	1.5
158.07269	0.8
159.08051	1.3
159.11693	19.3
164.06926	0.7
167.07115	1.2
169.10098	3.9
171.07835	0.8
171.10455	1.2
171.13806	11.7
172.08798	1.3
173.12904	1.0
174.13226	0.8
180.08049	0.8
183.11549	0.7
185.11987	1.4
186.12750	8.7
187.11169	100.0
188.11514	1.8
195.10356	3.7
204.13744	4.1
213.10344	0.8
213.14903	1.0
224.14297	5.4
226.11035	2.0
227.11765	4.5
228.10100	0.9
242.11697	0.8
246.05571	0.7
252.13800	4.8
255.11154	1.6
259.11136	0.7
261.15985	0.6
269.16568	1.1
270.09988	3.9
270.14862	1.2
271.10559	1.3
272.11606	4.2
273.12250	2.3
283.10764	1.6
287.13498	1.0
298.14389	10.2
301.11786	28.0
302.12204	1.4
315.13651	1.1
315.16977	21.7
328.67865	0.7
333.07526	1.5
333.10947	1.4
333.14301	6.0
333.18454	30.1
334.18658	0.9
338.53436	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1734
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02703	1.2
56.96561	42.9
60.04524	1.3
71.15065	3.1
71.95248	5.4
74.97610	2.7
81.07061	1.2
84.96012	3.8
91.05479	2.0
92.98674	1.3
93.07019	3.1
97.96789	1.4
98.98460	20.3
105.07016	1.3
107.04938	1.2
110.97554	6.0
115.97777	1.9
116.98544	2.1
123.01200	2.0
128.98595	18.7
129.06940	1.4
131.00021	2.9
137.02730	1.4
140.98434	2.2
141.02240	1.4
143.00093	2.5
145.10136	1.4
146.98558	2.0
146.99637	22.0
149.01176	1.6
152.00066	1.2
154.99910	1.4
155.03731	1.4
158.99350	1.5
161.01198	4.6
161.04942	1.5
165.00694	5.8
166.99947	1.8
169.01616	2.3
169.05298	2.1
170.01225	2.7
171.03246	2.6
174.99002	1.7
175.02708	2.3
189.00549	2.7
189.04338	4.1
203.05873	1.5
207.06874	1.4
223.02585	1.6
223.27936	1.4
225.07910	1.7
241.11125	1.9
259.12280	1.9
263.09521	5.2
265.11026	1.7
277.11264	2.3
303.12668	3.4
315.16254	63.0
316.16800	1.8
326.86053	1.4
331.15823	3.9
333.13977	4.0
333.17334	100.0
333.31888	4.4
334.17599	4.2
351.18384	19.4
356.18951	27.7
356.23349	2.0
357.19272	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
53.90855	0.5
56.05030	6.7
57.05810	1.2
60.05633	3.7
61.55048	0.5
68.05019	0.5
69.04536	1.2
69.63100	0.5
69.63403	4.4
70.06583	3.7
78.69199	0.4
79.05492	0.6
83.06096	4.2
84.04472	0.6
84.05086	0.4
84.05566	0.5
87.05553	0.5
95.06076	2.9
98.98478	0.5
105.03378	1.0
105.05756	1.2
109.79222	0.5
111.05556	8.6
112.05042	0.8
112.08692	1.0
113.07124	4.0
114.10255	0.7
117.05708	0.9
120.03831	0.5
120.04466	5.0
123.05500	1.0
126.06611	5.5
127.07391	1.7
128.08133	0.7
130.06552	0.7
131.07278	0.8
132.04437	17.6
134.05978	5.6
137.04634	1.8
140.08159	2.3
144.04407	0.8
151.06139	9.9
158.06012	1.1
162.05457	3.1
164.07036	9.0
165.07452	0.7
176.06982	1.0
179.08139	2.1
188.07083	0.9
190.08684	1.4
194.11687	0.6
195.12051	0.6
202.09743	6.3
203.08142	1.4
204.06412	0.8
214.09763	0.5
215.08105	0.7
216.11377	1.6
217.09648	5.6
230.09236	5.6
232.10733	2.6
233.09264	0.7
242.09235	2.7
243.83479	0.5
245.09192	25.9
246.09206	0.6
247.10844	1.0
248.13902	1.5
255.08876	0.5
257.10281	5.3
259.11871	48.8
260.10181	1.7
260.12329	1.6
272.18546	1.5
274.11877	1.8
284.11407	5.4
291.14471	100.0
292.14798	3.3
301.14029	1.8
302.12433	54.5
303.12698	1.8
316.14059	3.8
325.97845	0.6
333.16644	88.2
334.16946	3.5
341.38342	0.5
355.76550	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1665
Annotation	Unknow
Peak:m/z	Relative Intensity
55.90642	0.6
56.05029	7.1
57.05795	1.3
59.06127	0.5
60.05646	3.9
64.73709	0.5
69.04518	1.8
70.06573	2.9
70.55459	1.3
70.55855	1.1
71.06081	0.6
74.05115	0.5
83.06101	4.1
84.04507	0.6
87.05515	0.7
91.05443	1.1
95.06071	3.2
97.07648	0.6
98.07147	1.3
98.21452	0.6
98.98428	1.1
99.07888	0.6
104.05014	0.6
105.03340	2.0
105.05746	0.6
106.06494	0.8
110.07089	0.8
111.05552	10.8
112.08681	1.1
113.07130	5.0
118.06625	0.8
120.04451	7.4
123.05520	1.5
126.06619	6.6
127.07389	1.7
128.08188	0.8
130.06485	1.0
131.04836	0.6
131.07228	0.7
132.04436	19.9
134.05992	6.6
137.04620	2.1
140.08150	3.3
146.08363	0.8
151.06125	11.8
157.28633	0.6
158.05927	1.1
162.05457	3.0
162.06590	0.7
164.07043	9.3
169.55849	0.6
176.07065	0.8
177.06644	1.0
179.08127	2.0
185.07115	0.7
188.07079	1.4
190.08566	1.6
200.47522	0.6
202.09723	8.5
203.08095	1.7
204.06509	0.6
216.11230	1.2
217.09723	8.4
230.09235	7.1
231.12277	0.8
232.10745	4.3
233.09235	0.6
242.09195	3.5
245.09186	33.6
246.09416	0.8
247.10822	1.0
248.13882	0.7
255.08830	0.5
257.10306	6.2
258.33362	0.6
259.11877	55.7
260.10226	2.2
260.12335	1.7
262.11554	0.6
263.14954	0.7
268.33585	0.5
274.11859	2.3
277.20636	0.6
284.11362	6.3
291.14474	100.0
292.14767	3.9
301.13995	2.0
302.12439	57.9
303.12790	2.3
316.14001	3.7
333.16650	82.5
334.16855	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	332.2791
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	3.2
56.05035	3.8
57.03439	0.7
60.04518	100.0
61.19360	0.6
67.05494	10.3
69.07053	4.2
69.88071	3.3
70.06578	1.2
72.04506	2.4
72.78745	0.7
74.06062	3.5
79.05489	5.0
80.04996	1.9
81.07048	9.4
82.06569	2.2
83.08629	1.8
84.08135	0.9
86.06039	0.7
90.05545	1.2
91.05482	4.5
93.07029	5.5
94.06570	2.1
95.04971	1.5
95.08604	7.9
96.08155	0.9
97.06533	0.8
97.10151	1.1
98.20757	0.9
98.98459	5.8
105.07036	2.2
107.08572	4.0
109.10144	3.1
112.07641	1.0
117.06988	1.1
119.08580	1.9
121.10115	2.2
123.11700	1.8
131.08568	1.2
133.10129	1.6
135.11702	1.7
137.05908	0.9
137.13268	0.8
161.13239	0.7
178.62950	0.6
213.17360	0.7
248.23616	0.7
260.23657	1.9
261.22092	0.7
266.24609	0.9
278.24783	8.8
290.04959	0.6
296.25833	11.1
314.26855	19.6
332.27917	52.6
333.28165	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1328
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	4.2
55.05500	2.4
56.05019	8.7
58.48869	2.0
60.04527	12.0
60.05633	3.1
61.04847	2.7
67.05483	2.9
68.99780	5.6
69.79071	6.9
69.79505	7.7
70.06581	8.7
79.05474	4.2
81.07042	3.5
83.06097	4.4
84.08148	5.1
91.05470	6.3
91.47082	1.9
92.99753	3.6
93.92224	2.3
94.04191	2.9
95.04971	2.9
95.06075	4.4
95.08578	2.7
98.07104	1.9
98.98458	25.0
103.05441	3.7
104.04945	2.0
105.03362	11.0
105.06995	4.2
107.04961	1.9
111.05550	5.3
113.07138	4.7
115.05429	2.3
119.04926	3.1
120.04436	6.2
120.08103	5.9
121.02863	4.4
122.03619	4.9
123.04422	5.9
126.06633	7.4
129.03363	5.7
129.10231	2.2
131.04904	4.2
132.04436	17.7
133.10074	2.4
134.05991	8.2
137.05966	81.8
140.08154	3.6
147.04364	11.6
151.03897	2.8
151.06152	9.0
151.07492	3.9
152.04706	2.4
153.05374	3.0
153.07001	2.5
162.05493	2.6
164.07066	9.0
165.07024	3.4
167.07019	82.5
175.03825	2.4
176.07034	2.8
176.98999	2.3
181.06477	3.8
183.08060	4.2
199.07526	3.2
202.09781	4.6
203.03387	2.8
203.08238	2.2
204.06561	2.5
209.05931	2.8
211.07465	3.9
212.04787	2.2
217.09720	7.2
221.04460	3.3
227.06993	7.0
230.09241	8.4
232.10783	2.2
239.07097	2.2
242.09254	3.1
243.10172	3.0
245.09247	29.4
255.06503	3.1
257.10358	5.7
259.11914	51.3
271.09604	3.0
274.11896	3.0
277.08499	5.6
279.06494	2.8
283.09988	2.5
284.11261	3.5
287.20087	2.8
288.09912	61.5
291.14496	100.0
301.13928	3.5
302.12451	60.7
303.12265	12.3
304.07440	2.8
305.08096	15.9
318.08676	2.2
333.03525	3.3
333.07587	73.3
333.16675	97.3
333.27820	3.0
334.07877	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	332.1336
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.0
55.05489	5.2
56.96547	5.1
57.03426	6.2
59.53677	3.4
60.04527	6.0
61.02919	9.2
62.88083	3.1
67.05471	3.3
69.03408	17.6
69.07060	6.3
69.81951	18.8
70.06578	11.4
72.08155	38.8
81.03407	11.3
83.06093	3.3
84.04475	21.5
84.08137	11.7
85.02897	93.5
86.09696	93.0
87.04454	3.2
90.05545	16.0
91.03931	7.2
96.04469	7.0
97.02879	25.7
98.21484	4.1
98.98454	100.0
100.98856	4.4
102.05510	4.9
107.04930	33.8
109.02858	12.2
116.12550	3.4
116.99528	6.0
123.05528	4.1
127.03874	22.5
129.06592	3.2
129.10245	6.4
130.06535	6.0
132.10138	5.4
133.80861	3.4
136.06137	6.9
138.05455	5.0
143.11807	4.0
145.04948	44.2
153.05475	11.1
155.08156	7.7
156.06549	13.8
163.05986	8.0
170.08072	4.0
176.98894	11.0
180.08627	10.4
185.16449	9.6
197.12939	6.7
199.18051	12.1
199.87910	3.3
213.16005	3.8
219.06546	3.8
310.82928	3.8
314.17090	13.3
332.12628	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2839
Annotation	1-Palmitoyl-sn-glycerol
Peak:m/z	Relative Intensity
55.05494	9.6
57.03415	9.6
57.07069	100.0
67.05495	24.3
69.07063	18.0
70.27393	4.0
70.27781	5.2
70.44854	2.0
71.08253	3.9
71.08622	66.9
81.07049	31.4
83.08607	26.2
85.06538	2.0
85.10172	39.9
95.08596	53.6
97.10134	9.8
98.69386	2.2
98.98459	75.3
99.11704	2.3
109.10141	28.4
111.11760	3.2
123.11709	12.9
125.13208	3.2
125.69924	2.3
137.13260	4.9
146.27802	2.2
172.93236	2.1
173.48399	2.1
175.03740	3.0
176.36063	2.7
176.98955	4.3
231.70990	2.3
239.23630	20.8
257.24747	7.6
313.23901	3.8
313.27304	57.5
331.34021	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	332.134
Annotation	5'-O-beta-D-Glucosylpyridoxine
Peak:m/z	Relative Intensity
53.03935	0.7
55.01862	0.4
56.96550	1.5
57.03429	1.7
61.02908	1.6
65.03928	0.5
67.05480	0.9
69.03163	0.3
69.03429	3.7
70.06591	1.0
70.16450	2.1
70.20392	0.4
70.28509	0.4
73.02908	1.6
79.05499	0.6
81.03400	1.5
83.04984	0.5
84.04470	0.5
85.02895	5.2
86.05991	0.4
86.09676	0.6
87.04443	0.8
91.03928	0.4
97.02868	2.5
98.97600	2.1
98.98493	0.7
99.04435	0.7
106.06528	2.4
108.08113	26.5
109.02924	0.6
116.98592	1.3
119.01894	1.0
123.06820	1.8
124.07584	7.6
127.03903	1.1
134.06007	40.1
135.06310	0.9
136.07568	3.5
145.04932	0.6
149.01173	0.5
150.05478	1.0
152.07059	100.0
153.07416	2.6
155.01901	0.5
158.99706	0.4
161.05568	0.8
169.09778	0.6
170.08118	71.5
171.08420	1.0
178.04918	0.5
231.07263	0.5
237.02783	0.9
242.08218	0.7
278.07126	0.5
314.12317	10.2
321.10162	1.2
331.05377	0.5
332.13367	16.8
333.13638	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.284
Annotation	1-Palmitoyl-sn-glycerol
Peak:m/z	Relative Intensity
55.05506	10.7
57.03440	7.2
57.07071	100.0
58.07394	1.2
61.84827	1.2
67.05502	20.8
69.07066	16.2
70.06576	1.7
71.08628	72.8
71.89972	1.0
75.04468	3.2
78.13216	1.1
79.05486	1.9
80.28609	1.0
81.07050	37.0
83.08614	24.3
85.10178	36.3
88.07632	1.5
89.06013	2.1
93.07068	1.7
95.08603	53.9
97.10165	13.3
98.98460	20.7
99.11703	2.9
103.07565	2.1
106.08624	1.8
107.08548	1.1
109.10138	22.6
111.11714	3.2
123.11702	11.3
125.13304	2.7
137.13231	4.8
151.14792	1.5
165.16388	1.4
176.98930	2.3
221.22531	1.9
239.23677	17.0
248.16353	1.1
257.24707	6.9
313.27362	55.5
314.28055	1.9
331.34021	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	331.2838
Annotation	1-Palmitoyl-sn-glycerol
Peak:m/z	Relative Intensity
55.05500	13.8
57.03425	7.0
57.07070	100.0
59.94086	2.0
60.54770	1.9
67.05499	27.2
69.07052	16.3
70.71537	8.1
71.08620	79.2
75.04473	3.7
80.38449	2.2
81.07043	37.6
83.08607	29.3
85.10169	38.1
95.08598	54.9
97.10140	10.8
98.98455	28.3
99.11726	4.5
109.10137	25.6
111.11732	2.8
121.14049	2.0
123.11737	10.8
125.13259	3.4
130.05321	1.9
137.13167	2.2
151.14818	2.5
161.36348	2.0
239.23671	19.8
257.24820	6.8
313.27356	58.8
313.31027	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2839
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	12.2
57.03416	7.6
57.07071	100.0
61.42979	1.9
67.05502	23.0
69.07063	18.4
70.06577	6.2
71.06918	2.5
71.08251	3.3
71.08625	63.8
75.04470	2.0
79.93742	1.9
81.07051	31.7
82.48525	1.8
83.08612	22.9
85.10172	38.7
88.07629	9.1
89.07935	2.3
95.08595	54.5
97.10144	13.9
97.98859	1.9
98.98461	50.6
99.11704	3.0
102.09161	2.1
102.57481	1.8
106.08622	4.3
109.10136	24.1
111.11716	3.7
113.59841	1.7
115.13264	1.6
123.11676	13.0
131.43887	1.9
132.88951	1.8
137.13271	5.0
151.14818	2.6
151.98326	2.0
167.04962	1.9
239.23657	13.1
257.24792	5.7
313.23871	3.8
313.27341	53.2
313.33002	5.0
314.27817	2.6
331.33972	68.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.19
Annotation	Carnosol
Peak:m/z	Relative Intensity
55.05269	1.1
55.05497	8.7
57.07057	1.6
62.60113	1.1
67.05492	7.5
68.73328	1.1
69.07058	16.2
70.93385	1.4
70.93718	2.7
79.05475	2.4
81.07037	7.9
83.08601	8.0
85.06529	1.4
91.05454	4.2
93.07029	3.9
95.04960	2.2
95.08601	15.1
98.98455	94.4
100.98898	2.2
103.05429	2.3
105.07013	2.8
107.08571	4.1
109.10137	4.8
116.99475	2.9
117.07002	2.2
121.10225	2.1
123.04400	1.6
123.11658	1.6
128.06227	1.3
129.06920	2.8
131.04926	8.3
131.08527	2.8
133.10080	1.6
137.05937	1.6
141.06982	2.6
145.06477	4.3
147.04379	1.6
148.05110	1.4
149.05965	8.0
151.11127	2.3
155.08485	1.9
157.06496	3.9
157.10147	1.7
159.04366	10.3
159.08035	3.3
161.05975	3.7
161.09584	2.0
163.07562	2.4
165.09116	3.4
167.08531	2.5
169.06459	6.9
171.08017	1.5
173.06006	3.6
173.09605	1.3
174.06795	1.5
174.99217	3.6
175.03911	3.7
175.07565	8.1
176.98903	6.1
177.05428	11.2
177.09093	3.8
179.07011	7.8
179.10652	1.9
181.10114	1.8
183.08023	4.3
183.11694	1.7
185.09578	2.5
187.03926	1.8
187.07535	6.9
189.05443	2.2
189.09056	3.6
191.07002	4.5
191.10703	4.2
193.04893	1.6
193.08589	2.1
195.07973	1.2
197.05980	5.2
197.13354	2.4
199.07466	1.6
199.11201	1.4
201.09109	5.3
203.07005	4.8
203.10652	5.8
204.07761	2.0
205.04941	12.0
205.08519	9.4
205.12180	2.0
207.06331	1.7
207.10136	3.4
209.09746	1.7
211.07448	4.1
211.11137	4.5
212.08389	2.0
213.08911	2.8
214.06239	1.9
214.09822	1.5
215.07001	7.0
215.08708	1.1
215.10652	5.5
217.08594	3.7
217.12207	9.2
219.10153	21.7
221.08031	6.5
221.11694	1.7
224.08386	1.6
224.11874	1.5
225.09062	2.0
225.12695	7.1
227.10561	3.6
229.08568	4.1
229.12228	13.8
231.10150	18.1
232.07237	1.9
233.07999	2.8
233.11710	6.7
235.09444	13.3
237.09105	2.4
239.10631	3.7
242.09320	1.4
242.12981	2.5
243.10129	4.4
243.13728	8.2
245.11729	14.5
245.15465	1.7
246.51314	1.5
247.09639	35.1
249.11128	2.4
252.11418	2.6
253.12222	12.9
255.10048	4.6
255.13817	4.2
257.11713	68.0
258.12073	3.1
261.11191	4.1
261.14841	2.3
263.09851	1.5
263.12640	5.8
267.13815	2.6
267.17404	5.9
270.12671	5.9
270.16135	6.8
271.13287	12.9
271.16910	3.5
273.14822	4.1
275.12851	11.2
283.13181	1.9
285.15128	2.4
285.18448	18.7
289.14435	2.2
295.16895	9.3
298.15613	2.6
303.19553	17.6
313.17941	56.8
314.18518	2.1
331.18997	100.0
332.19318	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1173
Annotation	Monocillin I
Peak:m/z	Relative Intensity
50.62437	1.1
54.57295	1.1
60.04522	1.3
64.37717	0.9
67.05477	1.0
70.06582	1.2
76.59107	1.0
79.05488	1.8
79.50626	1.0
81.07037	2.8
83.04956	1.3
91.05471	5.1
93.07011	1.2
94.04187	1.8
95.04909	2.2
98.98454	59.8
99.41746	1.0
100.98865	1.8
103.05438	2.0
105.07015	3.8
107.04918	2.6
109.06509	6.8
115.05441	1.7
116.99477	1.8
117.03313	1.3
119.04951	1.6
121.06487	4.2
122.03581	2.8
123.04403	1.5
130.04208	1.2
131.04950	1.9
133.06479	2.9
137.05960	47.7
146.03612	11.1
147.04384	2.8
149.05977	9.4
151.07483	6.2
152.06181	2.8
153.06970	14.6
154.07813	4.8
161.05957	49.0
162.06761	7.9
165.06975	43.4
166.07613	2.4
167.08549	2.7
169.06415	1.5
174.99213	2.3
175.03854	1.6
176.98857	5.4
177.05498	1.9
177.06937	1.8
178.07747	1.5
179.08514	1.8
181.06450	25.8
182.07240	17.6
183.08035	2.4
189.05392	5.1
189.98340	1.3
193.06477	33.4
194.07193	9.7
195.08005	3.3
197.05988	3.5
197.09547	3.7
198.06721	2.8
205.06444	1.2
207.08154	2.1
209.05919	6.9
210.06726	34.4
211.07495	3.9
213.09050	11.2
220.05251	1.6
221.03880	2.0
221.05960	35.3
222.06660	10.5
223.07458	3.1
224.08292	2.5
225.09068	61.1
226.06288	1.5
226.09402	2.5
227.06905	2.1
235.07449	2.1
237.05424	3.5
238.06145	12.5
239.06987	6.3
241.08551	10.0
253.08569	100.0
254.09264	11.1
255.06435	2.2
269.08057	7.8
270.08820	3.9
273.11188	5.6
281.08008	11.0
284.10477	6.3
285.11191	42.4
292.98999	1.1
301.10626	11.8
313.10675	30.9
314.11102	1.3
331.11951	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	330.2635
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	2.5
55.05493	2.1
55.70916	1.3
57.07067	2.1
67.05478	4.1
69.07066	1.5
69.74223	8.0
70.06575	2.6
71.08601	2.2
77.22005	1.5
79.05495	2.0
81.07021	1.7
87.04433	2.3
88.07643	1.5
91.05456	2.7
93.07034	2.4
95.08585	1.7
97.06500	1.7
98.21437	2.2
98.98459	100.0
99.98977	1.7
105.07027	1.5
107.08570	2.3
111.08089	1.9
116.99493	2.4
119.08543	1.9
131.46364	1.8
145.09978	1.5
147.11671	1.6
165.12770	1.5
174.99220	3.1
176.98926	6.0
257.15979	1.4
277.21545	5.3
295.22849	1.7
330.06979	2.0
330.29919	3.9
330.33749	2.7
331.18774	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.0786
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41357	3.9
52.27434	3.1
53.30631	3.4
56.96548	7.6
63.04354	3.3
69.03404	13.8
69.49882	33.9
70.06581	18.2
71.04960	3.5
72.08122	4.5
73.02876	4.0
81.03402	6.2
84.08124	15.5
85.02903	22.2
86.09696	7.6
86.39689	3.3
87.04431	3.8
97.02866	13.5
98.17494	3.7
98.20644	6.5
98.97518	3.4
98.98454	72.4
109.02872	5.4
116.98623	5.0
119.01903	9.2
127.03919	9.2
129.10211	12.1
131.01869	5.0
134.05998	16.8
142.01726	5.2
143.01848	4.3
145.03429	4.7
145.04913	3.7
150.03282	3.9
151.08636	17.1
152.07051	57.5
152.10632	4.2
157.03484	6.4
169.09735	36.8
173.02934	6.4
174.99220	4.7
203.03722	5.0
221.04672	6.9
245.04985	4.4
299.02551	5.7
331.07376	100.0
331.14313	5.2
347.05664	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	330.2637
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05491	3.5
57.03417	2.6
57.07060	3.1
60.04510	1.3
61.00193	0.8
67.05499	8.6
68.91777	0.8
69.07050	2.5
70.06584	4.1
70.07381	4.7
71.08629	0.8
74.16442	0.9
78.47987	0.8
79.05484	3.2
81.03423	1.3
81.07053	7.2
83.04967	2.1
83.08606	2.8
87.04467	9.2
88.07610	5.1
91.05478	3.9
93.07027	2.8
95.04955	1.2
95.08578	2.7
98.20808	0.9
98.98459	100.0
100.98856	1.7
101.06011	15.5
102.09159	2.5
105.06996	1.0
107.08583	1.9
109.06451	0.8
109.10178	4.1
116.99483	3.7
119.08566	1.4
123.11707	1.2
135.11705	1.3
140.01024	1.9
151.56445	1.0
155.10603	1.0
173.11754	3.0
174.99263	5.5
175.03882	1.3
176.98909	6.3
186.79187	1.1
189.06972	0.8
191.10628	1.8
192.15596	0.8
256.26425	6.1
270.27850	1.6
272.66052	0.8
277.21698	1.9
281.31363	0.8
295.22635	1.6
330.30011	24.8
330.33939	1.3
347.19568	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.2634
Annotation	Morusimic acid F
Peak:m/z	Relative Intensity
51.81934	0.3
53.03932	0.6
55.05500	2.4
56.05026	2.3
57.03438	0.4
60.04518	100.0
61.04863	0.6
63.87808	0.3
65.03931	0.7
67.05135	0.5
67.05498	9.5
68.05028	0.8
69.07063	2.3
70.06583	0.9
71.01115	0.3
71.01440	0.6
71.04972	0.9
71.55496	0.3
72.04508	4.2
74.06075	1.5
79.05482	7.0
80.05009	1.1
81.03420	0.9
81.06593	0.6
81.07045	7.6
82.06570	1.0
83.04967	0.7
83.08610	0.8
84.04517	0.6
84.08144	0.5
85.02873	0.3
86.06060	0.6
86.09701	0.3
90.05557	1.0
91.05466	9.3
93.07034	8.7
94.06570	1.1
94.07407	0.3
95.04963	2.1
95.08593	5.4
96.08106	0.6
97.06551	0.3
97.10152	0.4
98.06054	0.7
98.98456	11.5
99.98840	0.3
100.07604	0.3
100.98911	0.3
102.05524	0.3
103.05458	0.5
105.07014	3.3
107.04954	0.5
107.07324	0.3
107.08579	2.8
108.08099	0.3
109.06505	0.6
109.10138	2.7
110.06039	0.5
110.09697	0.3
112.07590	0.9
115.05482	0.4
116.07080	0.7
116.99474	0.3
117.06992	1.9
119.08572	3.0
120.08088	0.5
121.02872	0.3
121.06518	0.3
121.10146	3.1
122.09664	0.3
123.08015	0.3
123.11710	1.4
124.07607	0.4
128.06201	0.5
129.07005	0.9
131.08551	2.4
133.10080	1.6
134.09621	0.4
135.08054	0.7
135.11681	1.8
137.02295	0.7
137.05948	0.5
137.09593	0.3
137.13213	0.6
142.08665	0.4
143.08531	0.4
145.09079	0.3
145.10057	1.3
147.08041	0.3
147.11671	0.9
148.11259	0.3
149.02277	0.6
149.09534	0.3
149.13254	0.8
150.02650	0.6
152.10619	0.3
152.61998	0.3
157.10158	0.6
159.11682	0.7
161.13239	0.9
167.03403	0.8
168.03755	1.0
171.11760	0.5
173.13240	0.8
174.99164	0.4
175.11151	0.4
175.14813	0.4
176.98927	0.4
177.16414	0.3
185.13293	0.4
195.02887	0.7
196.03238	0.5
199.14799	0.4
203.18024	0.3
215.17787	0.4
217.19485	0.8
241.19595	0.5
246.22142	0.3
258.22195	0.5
259.20578	0.9
264.23138	0.3
272.06296	0.3
276.23251	3.1
284.06284	2.3
287.05103	0.7
294.04861	0.3
294.24246	4.9
300.05811	2.7
301.06567	3.3
302.07272	0.3
312.05881	1.7
312.25287	11.3
313.25620	0.5
330.06866	23.5
330.26349	61.8
331.07074	2.4
331.26620	2.7
340.65247	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.2635
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	1.4
57.03416	1.4
57.07067	1.8
60.04520	4.5
65.26727	0.8
67.05505	4.4
69.07053	1.2
69.94927	0.7
70.06570	1.0
71.08607	1.0
71.75152	0.9
71.75586	1.1
72.08138	0.9
74.06056	2.6
79.05483	1.4
81.07032	4.0
83.08590	1.1
85.06522	0.7
85.42645	0.7
87.04456	4.9
88.07633	1.4
91.05474	1.9
92.00868	0.7
93.07018	1.7
95.08595	1.8
98.98459	100.0
100.98884	2.2
101.06030	1.3
105.07030	0.7
106.08680	0.8
107.08572	1.0
109.10140	3.4
116.99506	3.9
135.08115	0.9
140.01096	1.9
154.15158	0.8
155.10484	0.8
173.11681	4.8
174.99196	4.4
175.03912	2.1
175.99553	1.5
176.98924	5.9
200.70450	0.9
236.29126	0.7
252.99773	0.9
270.27905	1.7
277.21561	1.0
330.29977	7.3
330.33612	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	330.2636
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	1.5
55.05505	11.6
57.07065	1.4
60.48972	0.8
67.05476	5.1
69.03426	1.9
69.07061	3.0
70.06592	1.2
71.08611	3.5
71.74846	1.4
79.05482	3.5
81.07058	4.4
83.04964	1.4
83.08607	9.8
85.06528	1.2
87.04439	2.4
88.07603	1.3
91.05452	2.3
93.07030	2.5
95.04971	0.8
95.08526	1.4
97.10164	19.4
98.98460	100.0
99.08068	2.2
100.98879	2.1
103.06490	0.8
105.07039	1.0
107.08594	5.3
109.10133	1.4
111.08081	1.0
116.99490	3.4
119.08571	0.9
121.10120	1.1
125.09627	15.8
133.10124	0.9
135.07983	1.0
135.11668	0.9
140.00999	1.3
149.13257	1.0
153.09077	1.1
158.83095	0.9
161.13283	1.5
171.10213	1.7
171.11656	0.9
174.99188	4.2
176.98891	6.3
189.11201	26.3
249.87279	0.9
251.15944	0.8
277.21637	14.1
295.22522	1.2
330.29990	2.2
330.33612	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	330.2635
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	2.7
55.05499	10.8
56.96543	6.1
57.03437	2.3
57.07074	2.6
67.05217	1.4
67.05499	12.6
67.95142	1.3
69.03404	1.8
69.07047	6.7
70.08148	6.5
71.04987	1.6
71.08610	5.4
74.06055	3.0
76.78301	1.7
79.05493	9.1
81.07044	16.3
83.04973	3.1
83.08598	3.8
84.04502	1.9
85.02895	2.0
85.06519	1.5
87.04435	3.8
91.05460	6.0
93.07035	12.2
95.04932	3.3
95.08597	5.6
97.06528	3.0
97.10146	3.6
98.98460	100.0
99.08067	3.7
100.11225	5.5
105.07041	7.5
107.08554	6.7
109.10123	2.8
116.99471	3.0
119.08595	3.4
120.06581	5.5
121.10139	4.0
125.09582	3.0
130.04973	2.1
131.08499	2.3
132.08815	1.4
133.10110	5.7
135.11650	2.6
139.11157	4.3
145.10034	2.2
147.11618	3.0
149.13234	3.3
151.05815	1.5
151.11128	2.3
159.11621	1.9
165.12709	1.7
174.99187	2.9
176.98872	5.1
189.11189	4.6
195.13773	4.4
241.11154	3.1
249.21965	1.8
252.99733	2.4
259.12140	6.0
275.20026	1.9
277.21674	7.1
292.19739	1.5
293.20667	1.7
295.22678	1.9
330.29904	5.7
330.33566	3.6
331.18936	2.1
332.21323	1.6
349.16757	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	330.2635
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95335	0.8
55.05495	2.0
57.03439	1.3
57.07060	3.1
58.06583	1.0
60.66111	0.8
67.05499	4.1
69.03431	0.9
69.07054	3.0
69.91512	2.7
69.91943	3.6
70.04057	1.5
70.06586	3.9
71.08622	1.1
71.55304	0.9
72.08145	2.1
75.96063	0.7
79.05483	3.3
81.07056	5.5
83.04958	1.1
83.08592	2.1
87.04461	19.6
88.07626	4.1
88.37544	1.0
91.05460	2.1
93.07022	3.9
95.04970	1.0
95.08591	3.9
97.06496	1.6
97.10225	0.9
98.98458	100.0
99.08118	0.9
100.98863	1.2
101.06028	3.0
102.09167	2.1
102.78097	0.8
105.07048	1.9
107.08574	2.8
109.06492	0.9
109.10133	1.2
115.63060	0.9
116.99511	4.0
119.08583	1.5
121.06486	1.8
121.10125	2.0
125.09633	1.6
130.71257	0.8
131.08574	1.4
133.10103	1.8
139.11142	2.3
147.11671	1.1
149.13216	1.3
156.17430	1.5
159.11656	1.3
170.18980	1.1
174.99168	3.6
175.03909	1.4
176.98909	5.9
189.11139	1.7
195.13776	2.2
247.09691	1.3
248.74921	1.1
258.03000	0.9
268.29996	2.7
270.27942	6.4
277.21542	2.1
295.23001	1.4
322.65033	0.9
330.06836	1.7
330.21036	0.8
330.29938	20.8
330.33688	9.1
331.18903	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.1907
Annotation	Gabapentin enacarbil
Peak:m/z	Relative Intensity
55.01860	5.4
55.05507	9.7
56.05032	1.7
57.03411	1.2
60.04531	1.5
62.06085	7.3
67.05493	3.1
68.05025	0.9
69.03418	0.9
69.07060	37.7
70.02947	2.1
70.06580	9.1
70.07356	1.0
71.04995	1.3
71.37808	0.7
72.08145	97.8
73.02914	3.9
73.06541	2.7
75.38136	0.8
79.04959	0.7
79.05476	3.1
81.07047	8.3
83.04973	1.8
83.08619	2.3
84.04491	3.7
84.08133	3.5
85.02907	1.7
86.05540	1.9
86.06057	37.4
86.09693	11.6
87.04510	0.9
88.03988	1.9
91.05478	4.4
93.07027	3.1
94.06559	1.1
95.04972	1.8
95.08599	2.2
96.08105	4.1
97.06530	4.8
98.06036	2.0
98.09664	5.7
98.98456	63.6
99.04454	3.3
99.98907	0.8
100.07602	2.8
100.98904	1.0
101.02367	9.4
105.06985	1.1
107.04969	1.4
107.08578	1.3
108.08124	4.4
109.02872	1.0
109.06511	13.0
109.10122	1.4
110.06049	1.2
111.08074	8.9
112.07610	1.0
115.07552	2.5
116.07089	3.2
116.10718	18.1
116.99494	2.4
119.08582	1.4
120.08117	1.2
121.02832	1.0
121.06474	0.9
121.08893	1.4
121.10115	0.9
122.09657	1.9
124.07598	1.7
124.11218	1.0
126.05508	3.4
129.10252	1.3
130.05115	0.9
131.08510	0.9
132.10144	1.2
133.10138	0.9
134.09628	2.9
135.04449	0.7
136.07559	1.3
137.05957	8.5
138.09116	1.8
140.10699	1.5
141.09094	3.2
142.08621	4.7
144.06532	2.0
144.18231	0.7
145.04958	0.9
149.10785	1.2
150.09143	1.6
151.07507	0.9
151.08623	1.1
152.10664	3.5
154.08560	1.6
155.07042	1.3
158.11760	2.7
161.09541	0.9
162.05530	1.5
162.09045	0.8
168.10217	2.2
169.12238	1.6
170.11751	8.3
171.14908	31.7
174.99202	3.2
175.99608	0.9
176.98909	4.3
180.10173	2.6
182.08157	2.0
185.16487	2.4
192.10075	1.1
195.02878	2.2
198.11232	87.7
199.11523	2.2
199.14398	16.2
208.05212	5.3
212.16335	3.8
216.12288	100.0
217.12616	2.7
231.17001	2.7
240.04134	0.8
243.11447	0.8
254.05757	1.7
269.08014	5.0
271.10626	1.8
272.06488	1.0
278.56097	0.7
282.05148	1.5
284.06204	1.6
300.05734	2.5
301.06589	2.6
303.13269	0.8
312.05878	1.0
312.18066	16.6
312.21591	2.1
313.08154	0.9
313.11533	2.0
313.18259	1.0
315.08560	11.6
330.06799	14.4
330.10901	11.5
330.19223	4.6
331.12320	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	330.1908
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92165	1.2
53.03911	1.3
55.01859	3.7
55.05508	5.9
56.05036	2.9
57.03419	4.1
60.04510	1.8
62.06087	1.7
65.03925	1.6
65.28455	1.1
67.05481	2.6
68.99756	1.2
69.03432	2.0
69.07063	26.6
69.76066	3.0
69.76496	5.6
70.06590	13.2
71.04976	1.8
72.08167	6.2
73.02895	4.2
73.31806	1.2
75.88609	1.1
76.03971	1.6
76.37611	1.1
77.42593	1.1
79.01282	1.5
79.05493	4.2
81.03358	1.6
81.07065	7.0
83.04960	1.3
83.08620	6.8
84.04511	11.2
84.08114	4.3
85.02895	4.5
86.00626	1.5
86.06062	25.8
86.09711	8.6
91.05474	3.5
93.07024	3.8
95.04964	1.6
95.08587	3.9
96.08115	3.5
97.06527	2.7
97.45594	1.3
98.09691	5.1
98.98462	90.1
99.04418	2.6
100.98879	3.0
101.02362	5.4
101.05994	1.7
105.07051	2.1
107.07314	1.4
107.08573	3.4
108.08113	3.6
109.02856	2.3
109.06509	10.2
110.09700	1.7
111.08081	8.1
116.07105	7.3
116.07781	1.3
116.10718	13.5
116.99461	2.7
119.08599	1.2
120.08062	1.5
121.08869	1.9
122.03210	1.8
122.09640	3.0
124.07634	1.6
124.11172	2.0
129.06627	1.3
130.04959	6.9
130.08615	2.0
134.09642	3.3
136.07516	1.7
136.11118	1.5
137.02341	2.5
137.05978	6.1
138.02736	1.8
138.09128	2.6
142.08630	4.5
144.01193	1.2
148.02127	1.7
149.02353	2.3
149.10735	8.7
150.01680	1.8
150.09152	12.3
151.07585	2.3
152.10695	2.3
153.12770	4.5
159.10118	1.2
162.02731	1.6
167.03368	2.9
168.02553	1.6
168.03792	4.0
170.11761	9.2
174.99237	3.8
176.98907	7.0
178.02159	1.3
180.10202	2.7
195.02849	1.9
196.03146	1.7
198.11246	62.1
200.03226	1.6
216.12308	66.7
217.12637	1.8
221.03877	1.3
246.04727	1.9
259.05664	1.5
266.05225	3.0
272.06458	3.2
273.07242	2.2
284.06436	10.9
287.05032	4.2
293.88004	1.3
299.05594	1.2
300.05908	9.8
301.06592	16.9
302.07227	3.5
312.05759	7.7
312.18130	3.0
312.21692	12.4
315.08676	2.1
315.81467	1.2
330.06885	100.0
330.18091	12.3
331.06876	5.9
331.12994	2.6
335.18192	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.1542
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.7
55.01855	4.5
55.05503	2.9
56.05015	2.7
57.03441	5.0
58.06598	1.1
58.99580	8.8
60.04502	1.2
61.01142	1.5
61.02917	1.3
67.04234	1.2
67.05489	3.0
68.04987	1.5
69.03433	5.8
69.07067	9.9
70.02918	1.2
70.04286	5.8
70.06585	7.6
71.04972	1.2
72.08138	5.7
73.01086	1.1
73.02879	1.1
74.00652	1.9
74.06071	1.1
76.02216	11.7
79.05486	8.8
80.05003	1.0
81.03396	4.0
81.07050	32.7
83.06091	13.3
83.08591	1.4
84.04497	8.1
84.08134	4.0
85.02905	11.7
85.68256	1.0
86.00629	4.6
86.06037	2.4
86.09699	7.2
86.99032	4.3
87.02687	11.0
87.04432	1.5
88.03971	2.2
91.05470	19.1
92.05814	2.2
93.07019	2.8
94.06562	2.1
95.04948	3.1
95.06074	1.1
95.08588	3.0
97.02880	4.7
97.06512	3.1
98.06073	1.1
98.98457	100.0
99.04447	1.5
99.08061	3.4
100.98830	1.2
105.00074	1.4
105.03372	2.5
105.07030	5.4
106.03709	1.7
107.04941	19.9
107.08566	2.4
109.02899	1.6
109.06492	3.0
110.07161	1.1
111.06846	1.6
111.08083	1.6
113.04191	1.4
114.05503	1.7
115.05740	1.2
116.07103	2.9
116.99487	2.9
117.05748	1.8
119.04914	2.9
119.08551	1.6
120.05267	1.5
120.08097	9.1
121.10110	2.2
122.09637	2.7
122.10487	1.7
123.04495	1.1
123.08099	1.5
127.03869	1.8
129.06561	21.1
130.04979	2.9
130.06587	2.2
132.08073	15.4
133.06491	3.9
136.06146	1.3
136.06503	1.3
136.07561	11.9
137.07901	8.4
139.05783	1.2
145.04941	3.2
147.04436	1.2
150.09114	24.6
153.06560	1.4
153.89879	1.1
154.06554	1.2
156.08409	11.8
157.06795	11.3
162.05490	1.6
168.10181	22.1
174.09474	9.6
174.99216	4.5
176.98892	5.6
177.05455	1.1
178.07210	1.8
184.07591	1.2
185.16537	2.8
187.05330	4.1
194.04591	1.5
198.11235	2.9
203.07385	1.2
210.11253	2.5
216.12271	3.3
224.07700	3.6
226.10852	1.4
233.05936	7.9
252.99658	1.1
268.07874	1.5
285.12805	1.7
301.06543	1.1
312.05609	1.3
312.14429	2.2
312.18082	1.7
312.21548	3.6
313.12100	3.6
315.08530	1.4
330.06830	8.8
330.11188	7.4
330.15509	4.0
330.19177	2.2
331.13187	27.6
338.29794	1.1
348.35941	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.1183
Annotation	Lithospermoside
Peak:m/z	Relative Intensity
52.74598	0.5
56.93038	0.4
56.96558	2.2
61.02929	0.9
67.05498	1.3
68.63763	0.4
69.03430	5.5
70.06589	4.4
71.20874	0.5
71.21192	0.7
72.08145	1.4
73.02914	1.0
81.03391	0.9
84.04492	1.1
84.08138	5.6
85.02898	4.1
86.09677	1.2
94.04041	1.0
94.06561	4.4
97.02912	3.3
98.97631	1.2
98.98460	34.5
104.91916	0.4
106.06546	2.0
110.07166	0.9
112.02200	1.5
116.98621	1.6
116.99500	1.3
119.01887	1.1
119.03550	2.0
119.04916	0.5
121.08900	0.6
122.06007	3.7
124.03939	1.1
125.07118	1.7
127.03918	1.0
129.10228	1.7
132.08101	0.9
132.95839	0.7
134.05991	1.4
134.99654	0.6
136.06175	100.0
137.04596	1.1
137.05658	0.6
137.06609	1.4
138.05513	0.5
140.01137	0.5
146.99582	0.7
147.04491	0.8
150.05493	79.2
150.09064	1.3
151.05832	2.2
151.08688	1.0
152.05692	1.4
152.07053	5.0
153.04070	0.6
161.02985	0.8
162.32034	0.5
168.06551	29.5
168.10237	2.7
169.05992	3.3
169.09731	2.2
174.99196	1.8
176.98920	1.9
177.06209	0.6
187.14417	1.0
213.01567	0.7
233.10213	0.6
234.99643	0.7
288.97330	0.6
330.05890	19.3
330.11569	1.0
330.15082	2.0
331.04929	0.8
331.09540	0.6
331.15320	0.9
348.07864	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.1368
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.0
55.01859	1.4
55.05509	22.9
56.96568	0.9
60.04504	3.7
67.05501	5.7
68.05044	0.8
69.03425	4.0
69.07065	3.6
70.06584	2.1
71.52386	1.8
74.00650	3.4
79.05480	7.2
81.03403	1.0
81.05807	1.8
81.07043	4.6
83.04967	2.2
83.08612	14.5
84.08121	1.9
84.50330	0.8
88.02221	5.1
91.05470	2.1
91.14063	0.8
93.07029	2.4
97.10168	27.9
98.00628	3.4
98.98460	100.0
100.98869	2.1
105.07037	1.1
107.08594	8.7
111.08073	1.4
111.36551	0.8
112.02222	1.4
114.03748	80.2
116.98665	0.9
116.99464	4.6
117.07011	1.2
124.88509	0.9
125.09618	18.3
127.04018	1.0
132.04764	1.4
137.05934	1.8
138.06305	1.1
140.00989	1.1
143.10629	1.1
154.03345	0.9
155.89613	0.9
160.04272	32.1
161.05983	0.9
174.99239	4.3
175.99588	2.1
176.98845	5.8
182.07158	0.8
183.07925	0.9
189.11209	10.6
191.08783	0.9
208.05179	1.9
216.40907	0.9
238.12567	2.3
266.12076	19.2
270.08487	1.2
284.13129	60.6
285.13428	1.4
294.11658	1.4
312.12738	8.9
315.08618	3.6
330.10974	2.3
330.13968	14.1
330.26389	1.1
338.13498	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.0968
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	3.3
55.05503	1.9
56.05059	1.3
57.03423	2.2
57.22519	1.1
58.99558	1.4
64.72915	1.2
67.05500	2.7
68.99783	4.3
69.03427	3.3
69.07049	1.9
69.86726	4.1
69.87164	4.2
70.06577	11.0
71.01331	1.8
72.08143	3.4
73.02906	1.6
79.05478	1.8
81.03413	4.1
81.07050	4.8
81.43733	1.2
83.04979	2.6
83.06098	1.9
84.04478	3.3
84.08124	5.9
85.02901	13.1
86.09701	12.5
87.02691	1.1
87.04465	3.2
91.05473	2.4
93.29799	1.2
95.01328	5.8
95.04937	2.8
95.08636	1.5
97.02889	2.7
98.06032	1.8
98.98455	100.0
101.05992	3.8
105.07053	1.3
107.04948	4.7
107.07335	1.9
109.02858	2.0
110.07217	1.5
113.02370	1.6
115.05444	2.0
116.07053	1.5
116.99484	3.4
117.05755	3.6
118.06528	35.5
120.08079	2.1
121.06496	1.5
122.09666	3.8
123.04417	9.4
123.08115	1.3
125.02332	1.3
128.06223	1.9
128.21684	1.3
129.07001	16.0
129.10272	1.5
130.06520	34.3
132.04462	2.9
132.08105	4.8
133.76511	1.2
134.06036	3.2
136.06186	2.3
136.07530	1.9
137.02333	2.3
140.03156	1.1
142.06519	3.4
143.07289	4.5
144.04425	19.8
144.08073	7.5
146.06010	7.5
147.04341	1.4
149.02342	2.0
150.09105	7.6
151.03896	3.3
154.05280	0.9
154.06494	53.2
155.07281	59.0
156.08078	32.9
157.05217	2.3
157.06810	1.3
158.06017	4.1
160.07558	26.8
160.08754	2.0
166.06480	3.4
167.07278	12.6
168.08069	20.6
168.10155	17.3
170.05963	11.1
172.07535	5.7
174.05455	7.3
174.99220	4.7
176.98872	6.3
178.76784	1.2
180.08073	21.9
181.05238	1.7
182.05998	21.7
182.09613	3.0
183.06763	2.8
184.07556	38.9
184.09154	2.4
190.05034	4.4
192.08104	5.1
193.08775	2.0
194.05969	11.2
194.09654	12.6
195.02931	1.6
196.07549	11.1
198.05576	2.8
200.07071	6.5
202.04994	3.4
204.08112	4.5
207.06752	1.6
208.07596	3.9
210.05515	3.7
210.09100	2.4
212.06998	5.9
214.05074	1.2
220.07526	6.5
221.08260	1.3
222.05487	3.5
222.09157	12.3
224.07091	10.9
226.04924	3.8
228.06477	8.2
228.24388	1.2
236.07001	7.9
238.05093	2.8
238.08687	4.2
240.06537	4.4
242.08151	3.5
246.07724	2.5
248.07079	8.8
250.05013	1.5
250.05914	1.7
250.08618	20.9
252.06531	6.0
252.99947	1.4
266.08188	5.3
268.09549	2.5
270.07632	2.0
276.06570	2.8
282.07581	3.6
284.09149	2.5
286.07095	4.2
294.07599	11.4
312.08649	10.6
312.14252	1.3
312.18005	1.4
313.70123	1.6
315.08432	1.8
330.06635	1.6
330.09534	12.2
330.19345	2.0
331.13220	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	330.0971
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36443	1.3
55.01851	4.2
55.55469	1.3
56.05017	3.7
57.03418	2.8
65.03919	1.6
67.05508	3.7
68.99055	1.2
68.99781	3.5
69.03416	4.1
69.99023	6.9
70.06590	24.1
71.01340	2.8
72.08134	5.5
73.02904	1.5
73.80222	1.3
74.06063	5.1
81.03421	7.3
81.07055	1.7
83.04962	4.5
84.04495	3.2
84.08147	8.4
85.02898	15.4
86.09705	10.3
91.05489	2.6
95.01321	5.0
95.04962	4.7
97.02847	1.7
98.98460	100.0
101.07117	3.6
105.03349	1.9
106.06572	1.8
109.02903	2.7
110.07141	2.2
111.00836	1.5
112.11241	1.7
115.05409	2.0
116.07097	15.1
116.99478	3.0
117.05745	7.1
118.06535	63.7
120.08076	6.0
121.02872	3.7
121.08427	4.7
122.05970	2.7
123.00802	2.0
123.04429	16.9
125.02336	2.3
128.06184	2.1
129.06976	10.9
129.10223	2.8
130.06522	59.4
130.08606	2.2
130.75708	1.3
132.04420	3.6
132.08099	8.6
134.05995	3.2
137.02315	1.5
142.06525	3.1
143.07248	4.6
144.04436	39.1
144.08095	11.4
145.06464	1.3
146.05994	9.2
149.02293	4.3
150.09111	2.7
151.03871	4.8
154.06509	37.4
155.07288	10.2
156.08095	19.9
157.05217	2.2
158.06007	5.0
160.07562	38.8
165.06937	2.1
166.06549	3.1
167.07285	8.2
167.08527	2.2
168.06538	6.5
168.08072	16.2
170.06003	14.0
170.09581	1.6
172.07565	9.9
174.05495	12.7
174.99223	6.6
175.11945	1.7
175.99500	2.0
176.98938	7.2
178.06561	2.8
180.08087	16.7
181.08704	2.1
182.06020	36.0
182.09630	5.1
183.02884	1.5
183.06749	4.4
184.07582	16.9
186.09227	1.4
187.14430	9.8
190.04918	9.3
190.08589	2.0
191.07190	2.1
192.08063	5.4
194.05983	7.7
194.09637	10.3
196.07574	13.5
198.05434	4.2
198.09045	1.5
200.07051	13.1
202.04929	5.1
204.08029	6.7
205.08800	1.9
207.06723	2.9
208.07538	4.8
210.05534	1.7
212.07076	2.3
215.13879	2.5
220.07507	5.3
221.08229	3.7
222.05621	2.9
222.09126	13.2
224.06976	10.6
226.08560	2.1
228.06488	9.9
236.07011	7.1
238.04991	5.9
238.08652	4.8
240.06432	2.2
242.08083	3.7
246.07562	6.3
248.07086	17.5
250.04982	2.4
250.08612	33.2
251.09079	1.6
256.09576	1.6
266.08011	5.4
268.05792	2.2
268.09729	3.5
276.06543	4.1
282.07596	2.9
284.09225	1.6
286.10800	1.6
294.07507	13.5
295.59296	1.6
312.08633	7.5
330.06320	1.5
330.10083	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	330.0594
Annotation	3' 5'-cyclic AMP
Peak:m/z	Relative Intensity
55.32775	0.2
56.05029	0.3
56.96543	0.3
68.05023	0.2
69.03425	4.0
69.07076	0.3
70.06589	2.3
71.74691	0.3
72.08144	0.7
73.02905	0.4
75.31846	0.2
78.03439	0.5
81.03419	0.5
84.04501	1.4
84.08125	2.2
85.02898	0.6
86.09711	0.8
92.31171	0.2
94.04043	0.6
96.04472	1.1
97.02900	1.4
97.07746	0.3
98.87605	0.2
98.98460	27.2
102.05554	0.4
106.02914	3.6
110.07192	0.4
112.02171	0.4
112.05106	0.7
115.03950	0.3
116.99501	1.1
119.03553	1.6
120.12902	0.2
124.03941	10.5
128.07092	0.2
129.10211	0.9
130.04993	0.9
133.52818	0.2
134.23410	0.2
136.06174	100.0
137.04568	1.0
137.06490	0.9
138.05450	0.3
141.98175	0.2
146.32562	0.2
147.07605	0.5
148.99997	0.2
150.05515	1.3
152.05659	0.7
156.04788	1.9
168.05069	0.4
168.06473	0.5
174.99199	0.8
176.98904	0.8
177.00328	0.3
188.07651	0.4
202.07269	0.7
213.01578	1.1
250.09445	0.4
312.06995	0.6
330.05856	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	329.0646
Annotation	Khrinone D
Peak:m/z	Relative Intensity
53.03933	0.3
55.01849	0.2
57.03401	0.2
65.03932	1.2
67.01849	0.4
67.05473	0.1
68.58704	0.1
68.99778	1.0
69.53899	0.6
77.03908	0.1
79.01820	0.1
79.05500	0.1
81.02943	0.1
81.03406	1.8
83.01312	0.2
83.04939	0.1
85.02894	1.0
88.78552	0.1
89.03909	0.2
91.40202	0.1
93.02842	0.1
93.03387	1.0
95.01328	0.1
95.04958	0.3
97.02842	0.1
98.21467	0.1
98.98457	2.5
105.03373	0.3
107.01317	0.2
107.04941	0.1
109.02170	0.1
109.02865	1.2
110.03645	0.2
111.00771	0.1
111.04444	0.3
117.03352	0.2
117.04194	0.1
121.02847	3.1
123.04397	0.2
124.01526	0.1
125.02327	0.4
127.03893	0.2
133.02831	0.6
134.03629	0.5
135.00768	0.1
135.04398	1.7
137.02324	4.2
137.21259	0.1
138.03120	0.6
139.03867	0.2
141.01791	0.1
141.06985	0.1
147.04413	0.2
149.02321	4.2
151.03917	0.2
152.01120	0.1
153.01811	1.3
153.06952	0.3
161.02322	2.5
161.05890	0.1
163.03873	0.3
165.01813	1.5
166.02591	0.5
167.03381	7.7
168.03700	0.2
171.02942	0.1
171.04405	0.1
173.74178	0.1
174.99170	0.1
175.03900	0.1
177.01822	2.6
179.03389	0.6
181.06439	0.4
183.02864	0.6
184.03741	0.4
184.05183	0.1
185.05885	0.1
189.05447	0.2
195.02872	4.2
196.03236	0.1
197.05943	0.1
199.07547	0.2
201.05420	0.1
203.03352	0.3
209.05957	0.2
213.03804	0.1
213.05580	0.2
215.07024	0.2
218.05708	0.3
219.06458	0.1
226.06213	0.2
227.06961	0.6
229.04927	0.4
230.05641	0.2
231.06473	0.3
237.05383	0.4
243.06491	0.5
244.07191	0.4
245.04422	2.2
246.04572	0.1
246.36482	0.1
254.05722	0.1
255.06487	2.2
256.06845	0.2
257.04364	0.2
257.08099	0.1
258.05261	1.1
259.06067	0.1
263.05469	0.3
265.04855	0.3
269.04346	0.3
269.07367	0.1
271.05963	1.8
272.06717	2.1
273.07346	0.2
282.05099	0.2
283.05981	13.5
284.06381	0.6
285.03940	0.7
285.07053	0.1
286.04681	4.5
287.05157	0.2
293.04584	0.1
299.05466	11.1
300.06235	16.3
301.06924	1.9
311.05453	8.6
312.05869	0.5
329.06506	100.0
330.06839	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	328.248
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	2.9
67.05497	5.1
69.07058	1.6
71.73024	0.9
77.01545	0.5
79.05480	4.1
81.07044	3.9
81.98249	0.5
82.65316	0.5
83.04945	0.8
83.08610	1.4
84.64297	0.5
91.05486	3.6
93.07035	4.2
95.04967	1.4
95.08611	2.7
97.10162	2.2
98.98460	100.0
100.98870	0.9
105.07022	2.3
107.08605	3.9
109.10151	1.6
116.99516	2.9
119.08584	2.3
121.10137	1.6
123.14720	0.5
125.09573	1.0
129.06935	0.6
131.08542	1.2
133.10152	1.5
137.09587	0.8
140.01033	1.0
149.09648	0.6
159.11801	0.6
173.11728	0.9
174.99222	7.2
176.98904	2.8
189.11143	2.5
229.19467	0.6
252.99814	0.8
263.14090	0.5
275.20126	1.4
300.06253	0.9
300.19055	0.5
329.06604	2.4
329.29501	0.8
346.26807	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0645
Annotation	Dalspinin
Peak:m/z	Relative Intensity
53.03919	0.3
53.49345	0.1
55.01848	0.2
55.09388	0.1
55.77545	0.1
57.03418	0.2
58.44500	0.1
58.87403	0.1
60.35258	0.1
63.02389	0.1
65.03623	0.1
65.03930	1.2
67.01852	0.5
67.05493	0.1
68.99448	0.1
68.99780	1.0
69.03392	0.1
70.80526	0.2
79.01819	0.1
81.03407	1.7
83.01321	0.1
83.04938	0.1
85.02446	0.1
85.02897	1.0
89.03902	0.2
90.00857	0.1
92.54601	0.1
93.02856	0.1
93.03392	1.1
94.66566	0.1
95.01283	0.1
95.04942	0.3
97.02869	0.1
98.98454	1.2
99.04380	0.1
105.03395	0.4
107.01292	0.2
107.04916	0.1
109.02856	1.5
110.03621	0.2
111.00765	0.2
111.04403	0.3
117.03352	0.2
121.02849	3.1
123.04446	0.1
124.01556	0.1
125.02333	0.4
127.03886	0.3
133.02840	0.6
134.03606	0.5
135.00728	0.1
135.04402	1.7
136.05180	0.1
137.02328	4.1
137.03438	0.2
138.03120	0.6
139.03835	0.2
141.01810	0.2
147.04398	0.2
149.02319	4.2
151.03868	0.1
152.00905	0.1
152.06160	0.1
153.01808	1.2
153.06947	0.3
153.51721	0.1
161.02318	2.2
163.03917	0.3
165.01825	1.5
165.06885	0.1
166.02599	0.5
167.03383	7.7
168.03741	0.1
169.06409	0.1
170.02087	0.1
171.02878	0.1
173.02303	0.1
175.03914	0.1
177.01813	2.3
179.03400	0.6
180.25011	0.1
181.06442	0.5
183.02890	0.7
184.03746	0.3
184.05038	0.1
185.05983	0.1
189.05467	0.2
193.05153	0.1
195.02869	3.8
196.03175	0.1
197.05942	0.2
198.06570	0.1
199.03917	0.1
199.07510	0.2
201.05469	0.1
203.03311	0.3
209.05980	0.3
213.03740	0.1
213.05458	0.2
215.07062	0.1
216.07829	0.1
218.05774	0.3
219.06358	0.1
225.05423	0.1
226.06221	0.2
227.07013	0.5
229.04962	0.4
230.05586	0.1
231.06479	0.3
237.05421	0.3
241.04904	0.1
243.06479	0.6
244.07243	0.3
245.04422	2.1
246.04842	0.1
254.05716	0.2
255.03862	0.1
255.06462	2.2
257.04443	0.2
257.08044	0.1
258.05212	1.1
259.05719	0.1
263.05435	0.2
265.04910	0.2
269.04266	0.2
271.05978	1.7
272.06750	2.3
273.07355	0.2
282.05258	0.2
283.05978	11.4
284.06360	0.5
285.03906	0.6
285.07111	0.1
286.04669	4.1
287.05307	0.2
293.04434	0.1
299.05463	10.9
300.06232	14.0
301.06879	1.7
311.05453	8.1
312.05865	0.4
318.22171	0.1
318.80945	0.1
329.06509	100.0
330.06842	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	328.2477
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	5.3
56.05031	2.3
57.03427	2.6
60.16716	1.6
60.40250	1.5
64.49890	1.5
67.05492	12.9
69.07060	9.7
69.59184	14.8
69.59606	2.6
79.05481	7.5
81.03404	2.7
81.07055	19.4
83.04956	2.0
83.08636	2.3
91.05477	6.6
93.07021	7.6
95.04941	2.6
95.08604	7.3
97.06509	2.3
98.09702	5.5
98.98460	100.0
105.07021	6.7
107.08590	4.9
109.06575	1.6
109.10137	5.4
111.08089	1.9
116.99477	3.3
117.07020	2.0
119.08547	3.7
121.10152	3.6
123.08069	2.7
131.08565	2.7
132.26874	1.8
133.10123	4.9
135.11708	5.9
145.10127	3.2
147.11679	3.2
159.08086	1.8
159.11755	2.1
163.11180	2.2
174.99248	5.9
176.98969	3.0
181.12207	4.1
195.13823	2.6
275.20081	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	328.2478
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	2.1
57.03423	2.7
57.07059	0.9
67.05493	3.0
68.89513	0.4
69.07062	7.2
69.93813	0.5
71.04975	1.3
71.75300	0.8
74.06073	1.7
75.04412	0.5
79.05479	2.6
81.07041	3.9
83.08607	2.2
91.05460	1.2
93.07050	3.8
95.04948	0.9
95.08589	3.3
97.06519	3.3
98.98455	100.0
100.98868	0.9
101.06046	0.5
105.07013	1.2
107.08575	2.8
109.10133	1.9
111.08088	0.6
116.99499	3.2
117.05500	2.3
119.08577	0.6
121.06460	0.6
121.10139	1.3
129.17761	0.5
131.08478	0.5
135.11670	6.7
140.01044	2.0
145.10049	0.6
147.11674	0.7
153.12698	4.0
159.11691	0.7
163.11191	1.2
174.99214	8.1
175.99573	0.5
176.98930	3.4
217.14371	6.0
250.99962	0.5
275.20023	2.3
293.21005	3.4
329.06458	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	328.2479
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	2.4
57.07071	0.6
57.82074	0.5
58.06577	0.7
67.05502	3.4
69.07063	1.6
70.19578	0.9
70.20002	2.3
71.08615	1.7
79.05476	2.0
81.07045	4.5
83.04985	0.9
83.08621	0.9
88.23418	0.5
91.05463	1.7
93.07021	2.4
95.04955	1.2
95.08591	2.2
97.06535	0.9
98.09704	1.3
98.98457	100.0
99.08077	1.0
100.98923	0.6
105.06999	1.4
107.08591	1.8
109.10171	0.8
116.99483	3.2
119.08623	1.4
121.10102	0.8
123.11745	0.5
133.10129	0.8
134.02676	0.5
135.11681	1.7
137.09628	0.7
140.01076	1.3
145.10118	0.6
147.11818	0.7
152.14348	0.7
173.11896	0.6
173.13309	1.1
174.99226	7.5
176.98886	2.9
181.12241	1.7
189.11354	0.5
252.99809	0.8
257.19080	0.6
275.20059	2.9
293.21121	1.8
300.06476	1.0
306.13828	0.6
329.06668	3.2
329.29355	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.2478
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27432	2.1
55.05493	2.0
57.07026	2.2
59.21404	2.1
63.84221	1.9
64.99828	1.9
67.05495	4.0
70.02483	9.1
70.02901	4.5
78.78456	2.2
79.05489	4.1
81.07059	12.1
91.05470	3.6
93.07030	2.7
95.04955	3.7
95.08597	3.0
96.58788	2.1
98.98463	100.0
105.06982	3.5
107.08572	4.5
109.06512	4.6
116.99493	4.4
119.08566	3.8
140.01131	1.9
145.10066	3.6
145.37015	2.1
147.11661	4.9
149.09615	2.9
174.99220	8.7
176.98863	3.4
200.04039	2.4
220.59357	1.8
275.20059	12.7
276.20535	2.5
293.20978	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	328.2477
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	6.7
55.05241	3.4
55.05504	68.3
57.03438	2.7
60.99071	2.7
67.05510	19.2
69.03419	6.5
69.07073	15.0
71.38086	5.1
72.93629	2.9
79.05482	31.9
81.07042	21.8
83.04985	2.7
83.08609	54.4
85.42072	2.7
91.05467	11.6
93.07025	9.3
95.04947	3.8
95.08584	6.4
97.06527	3.2
97.10158	93.7
98.98461	49.0
105.07023	12.9
107.08584	95.1
109.06543	3.2
111.08092	4.9
117.07058	3.6
119.08584	7.4
125.09623	74.5
127.43032	2.8
131.08594	3.3
133.10112	8.1
135.08006	3.4
143.10709	3.8
145.10112	8.5
147.11707	5.9
153.09183	5.0
167.53528	2.7
171.10144	5.0
174.99228	4.3
189.11205	100.0
257.18808	5.5
275.20050	64.1
344.15118	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.1653
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72283	0.7
55.05502	1.4
55.97720	0.8
65.68185	0.7
67.02963	0.9
67.05502	1.1
68.05026	0.9
68.99503	0.7
69.07049	1.9
70.00784	2.3
70.01199	1.6
70.06586	0.9
79.05486	2.7
80.05015	1.5
81.04532	1.6
81.07034	3.9
82.06584	2.0
84.08109	0.9
91.05472	2.8
93.07083	0.8
94.06573	1.0
94.11163	0.7
95.08588	0.8
98.20685	1.1
98.98457	98.5
100.98840	0.8
103.05450	1.0
106.06573	1.3
108.08108	3.1
110.09669	2.0
116.99500	3.2
117.83869	0.7
118.06539	1.9
122.09688	1.4
127.73339	0.7
130.06512	30.1
132.04439	9.4
132.08083	4.2
134.06024	3.1
135.09129	1.0
140.01080	1.5
140.04948	1.3
143.07248	1.0
144.08069	2.7
146.05986	25.3
147.06767	3.5
148.07545	6.2
154.08629	1.2
155.06039	1.3
156.06810	8.0
156.08087	2.2
156.10222	1.5
157.07599	11.5
157.08800	1.5
158.05998	21.5
158.08313	1.0
159.09148	1.0
160.07568	2.4
164.82695	0.8
168.08113	2.4
169.06290	1.2
169.07588	8.3
172.11224	0.9
174.05550	1.1
174.12793	2.5
174.99197	6.9
176.98958	2.3
181.07573	0.9
182.08379	2.1
182.09793	1.3
183.09134	7.6
184.06259	1.4
184.11209	2.2
185.07086	41.4
187.08652	4.1
194.07121	2.6
195.09242	2.4
196.08594	1.8
197.10683	1.4
198.12773	15.9
200.10754	0.9
202.05518	1.1
202.07324	6.4
202.12216	4.7
203.08134	1.9
204.06558	0.8
211.12274	7.4
212.08138	9.6
212.14378	3.7
213.06519	3.6
215.08157	0.8
222.10234	2.1
223.08733	3.7
223.10780	1.2
231.07623	11.9
235.10847	1.0
237.13870	6.6
238.13353	1.3
239.15379	3.9
240.07724	1.8
252.99931	1.1
255.14856	5.1
257.12827	7.3
258.08768	1.9
264.14883	5.1
266.16504	9.3
266.19043	1.2
282.15973	1.5
283.14450	5.0
292.14374	1.1
301.15442	5.9
310.15469	100.0
311.15729	2.9
328.16513	60.1
329.06555	3.4
329.16873	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.1651
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	2.1
56.05011	0.6
63.09959	0.6
67.02985	0.5
67.05495	1.7
67.09043	0.5
68.05006	0.9
70.06600	1.3
74.02433	1.0
79.05473	1.8
80.05013	1.2
81.07052	4.7
82.06584	2.4
83.08618	0.6
84.08136	0.6
91.05483	1.7
93.05753	0.7
93.07041	0.9
94.06558	1.5
95.04957	0.5
96.08086	0.5
97.08925	1.3
98.09691	2.1
98.21491	0.9
98.98455	81.7
100.98898	0.7
105.07001	0.7
108.08115	5.0
110.09657	3.2
116.99480	2.5
118.06541	0.8
120.04359	0.5
122.09642	3.0
123.10384	0.6
124.11226	0.9
130.06511	28.6
132.04443	11.1
132.08072	2.3
134.05991	3.9
135.09138	1.5
140.01047	0.6
142.06462	0.6
146.05989	39.1
147.06732	1.5
148.07581	3.7
154.08620	2.2
156.06918	0.7
156.10176	4.9
157.07620	3.4
158.06001	27.5
160.07558	5.4
168.10214	2.2
169.07596	1.1
170.06010	0.7
172.07565	2.0
174.05453	1.3
174.12741	0.6
174.99197	6.5
175.08607	3.4
176.06970	0.6
176.98856	3.0
181.09784	0.8
184.07593	1.0
185.07077	38.5
186.05499	1.8
186.07494	0.8
187.08635	7.7
199.08597	0.5
202.04985	1.4
202.12283	0.7
204.06500	0.7
212.08165	10.5
212.10376	0.7
213.06551	2.4
228.13837	1.2
231.07622	19.0
255.14880	7.1
258.08713	1.5
287.05997	1.2
301.15424	12.3
310.15540	1.5
313.71030	0.5
328.16516	100.0
329.06491	2.9
329.10617	1.0
329.16797	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.1651
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85793	0.4
53.03957	0.5
55.05503	1.0
64.47761	0.4
67.05485	1.5
69.07060	1.6
69.79102	1.0
69.79518	1.8
70.06602	0.4
79.05499	1.0
81.07039	3.6
83.08604	0.8
84.08154	0.5
84.57500	0.3
91.05487	1.3
93.07021	0.7
94.07330	0.5
95.04935	0.4
95.08584	1.3
96.08138	0.5
96.08886	0.4
98.98455	72.4
100.98924	0.6
109.10214	0.4
115.05431	0.6
116.99472	2.3
118.06550	0.8
130.06522	5.2
132.04497	0.4
132.08099	1.0
140.04927	1.9
144.06758	0.5
146.06012	1.9
147.06808	0.6
148.07555	1.7
156.06841	5.6
156.08067	0.9
156.60344	0.5
157.07607	7.5
157.08812	0.9
158.06004	1.7
158.08389	1.1
168.08041	1.4
169.06348	1.1
169.07610	5.8
170.07124	0.7
170.09663	0.8
172.11264	0.5
174.12758	1.1
174.99196	5.4
175.99515	0.6
176.98862	2.5
182.08388	2.0
183.09146	1.0
184.06282	1.1
184.11218	1.7
185.07082	2.2
185.10620	0.9
186.05489	0.7
194.07124	2.7
194.09677	1.2
195.09297	0.8
196.08643	2.1
197.07204	0.5
198.12788	0.6
200.10730	0.6
202.07349	4.7
202.12236	2.4
203.08089	0.6
211.12274	8.3
213.06699	0.5
213.13879	0.6
215.08121	0.9
222.10258	1.2
223.08612	0.9
228.08957	0.6
237.13869	2.6
238.13362	0.6
239.11824	0.7
239.15422	0.7
240.07645	1.5
255.14771	0.7
257.12839	7.7
264.14893	3.2
282.15854	0.9
283.14273	1.2
292.14902	0.5
310.15463	100.0
311.15768	3.5
328.16519	2.1
329.06714	2.6
329.10117	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.165
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	3.0
56.05023	1.7
56.31904	0.5
60.07873	0.5
67.03001	0.7
67.05496	1.3
68.05022	1.4
69.07054	1.2
69.84819	4.1
70.06575	1.8
74.02421	2.3
78.11263	0.7
79.05474	2.4
80.05012	3.0
81.07044	9.0
82.06573	6.4
83.08625	1.8
84.08147	0.6
88.03986	1.0
91.05467	1.7
93.04501	0.6
93.07017	1.6
94.02923	0.8
94.06546	2.1
95.05004	0.7
95.06107	0.6
95.07350	1.4
95.08605	1.5
96.08124	1.3
97.08909	3.6
98.09698	3.2
98.98454	96.9
103.05468	0.7
105.03367	0.8
105.07040	1.3
106.06579	0.7
107.08551	0.8
108.08115	10.3
109.10149	0.6
110.09664	7.4
112.11185	0.7
116.99473	3.3
118.06568	1.5
120.08080	1.4
122.09662	5.3
123.10468	1.1
124.11210	2.0
128.10851	0.6
130.06509	40.4
132.04428	10.9
132.08061	2.9
133.05278	1.0
134.05994	5.2
135.09190	4.2
136.07544	0.7
137.10721	0.6
139.77728	0.5
140.01079	1.3
142.06543	0.7
144.08009	0.9
144.37561	0.6
146.05988	26.3
147.06712	2.4
148.07555	12.2
148.08742	0.7
151.12329	0.8
154.08598	4.4
156.06834	1.2
156.10173	9.1
157.07585	3.6
157.08835	1.1
158.05992	33.8
159.06624	0.8
159.09158	0.7
160.07552	7.2
168.08058	0.7
168.10173	3.9
169.07613	1.8
172.07542	2.7
174.05473	1.1
174.12793	2.0
174.99174	7.9
175.08693	3.7
176.07150	0.7
176.98868	2.9
181.09711	1.7
184.07545	1.4
184.11201	1.2
185.07074	22.8
186.05457	2.1
186.07291	0.5
186.12796	0.7
187.08662	5.1
198.12762	3.5
200.10767	1.1
202.05002	1.1
202.07321	1.0
202.12265	4.6
203.08385	0.6
204.06525	1.8
210.12746	1.1
212.08174	5.4
212.10439	1.1
212.14429	0.7
213.06529	2.1
213.19055	0.6
213.21100	0.7
227.15198	0.7
228.13814	1.9
231.07623	11.4
233.09041	0.7
234.24402	0.6
237.13936	1.3
238.12228	1.2
238.14449	0.7
252.99756	1.0
255.14880	14.9
257.16565	0.7
258.08752	0.8
266.16440	2.7
273.39496	0.6
282.16071	1.4
301.15445	33.2
302.15833	1.6
310.15421	10.9
311.15717	0.8
328.16516	100.0
329.06424	2.9
329.16879	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	328.1498
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05037	0.8
60.04512	4.2
64.48695	0.4
65.03930	2.3
67.05497	15.6
68.05046	1.0
69.04546	0.7
69.07063	8.7
70.02945	0.9
70.06586	10.5
70.35503	1.9
72.08157	2.6
79.05469	1.1
81.07042	1.0
83.06082	1.3
84.04501	1.9
84.08132	4.3
85.03999	0.7
85.06538	1.7
86.09708	4.2
89.06002	0.7
91.05475	1.7
93.07029	0.6
95.02422	2.6
97.02869	1.2
98.21154	1.1
98.98457	99.0
100.98871	0.5
101.03465	0.6
103.05487	0.6
110.06036	1.7
110.07155	1.4
112.05080	37.9
116.07079	0.5
116.99497	4.1
120.08111	1.5
124.05064	36.7
125.05803	1.3
125.10761	1.6
128.04556	10.6
129.10237	1.3
133.07590	1.5
135.05487	0.8
136.05048	4.0
136.07489	0.9
138.06493	0.6
140.01073	0.5
140.04536	5.0
151.08640	2.5
153.10188	2.4
160.06104	1.2
161.07089	34.1
163.07387	0.8
164.08119	0.5
169.13455	0.5
174.99205	8.7
175.99452	0.6
176.98926	3.0
178.09740	52.8
179.10152	1.1
180.11307	5.3
183.15013	0.5
196.10797	100.0
197.11108	2.1
198.12369	0.7
215.13850	1.0
229.15474	1.2
250.99829	0.6
260.08731	1.7
328.15134	5.0
328.24783	1.6
329.11981	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	327.2162
Annotation	Dinor-PGF2alpha
Peak:m/z	Relative Intensity
51.02366	0.9
53.03933	1.6
55.01857	2.1
55.05507	22.1
57.03421	4.7
64.82683	1.0
67.05499	14.1
69.03421	4.6
69.07056	4.5
70.46134	1.0
70.94845	1.0
71.04968	1.5
71.70285	1.0
76.48382	1.0
79.05483	12.0
81.03406	4.0
81.07048	16.4
83.04954	7.0
83.08620	12.8
85.06520	1.3
91.05473	6.2
93.07040	15.7
94.07325	1.2
95.04960	16.3
95.08604	18.4
97.06537	3.1
97.10158	21.9
98.20679	2.7
98.98460	100.0
105.07034	6.7
107.04943	1.1
107.08582	8.0
109.06523	3.3
109.10129	3.9
111.08086	1.9
114.97154	1.0
116.99478	2.7
117.07011	3.1
119.08546	6.5
121.06549	1.1
121.10137	6.5
123.08056	48.5
123.11703	8.2
125.09634	18.1
125.10521	1.8
130.56953	1.2
131.08539	3.8
133.06483	1.2
133.10132	4.6
135.08081	3.0
137.09557	5.0
139.11186	1.4
143.08551	1.9
145.10095	3.9
147.08043	2.9
147.11624	1.3
149.09613	1.5
151.11220	1.4
153.09091	1.3
157.10086	1.7
161.09572	1.5
165.09100	8.1
169.12192	5.6
171.11681	1.2
173.09573	1.5
174.99199	12.0
177.12775	1.6
179.83548	1.2
187.13293	8.8
189.11217	15.8
197.13223	1.4
199.14758	1.3
211.13306	2.5
217.15956	1.9
223.13293	3.0
227.17888	1.3
235.16963	1.1
249.18668	1.2
251.00032	1.3
255.17432	2.7
263.19891	1.6
265.17023	1.2
271.16666	1.3
273.18475	20.1
291.19513	24.6
309.20663	6.1
327.17380	1.5
327.22214	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2315
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25231	0.6
53.03949	3.2
55.01859	0.6
55.05506	2.3
57.07063	1.1
58.80287	0.6
59.04992	1.0
65.03931	1.0
67.05500	4.3
69.07049	1.9
70.71120	1.9
77.03941	0.7
77.78831	0.6
79.05482	4.4
81.03408	0.8
81.07046	5.6
83.04943	0.9
85.06549	0.7
87.83861	0.6
91.05481	7.0
93.07034	10.7
95.04395	1.1
95.04963	16.0
95.08607	8.3
97.06530	2.4
98.98459	100.0
105.04515	0.8
105.07020	9.7
107.08601	5.5
109.06514	1.6
109.10146	2.7
109.85759	0.7
115.05478	0.8
116.99523	3.7
117.07014	3.2
119.08580	8.4
119.34005	0.6
121.06487	2.5
121.10139	4.5
123.08096	0.9
123.11664	1.1
128.06207	1.0
129.07004	1.9
131.08554	4.4
133.10104	6.4
135.08058	1.6
135.11679	2.4
137.09550	0.7
140.01045	1.5
141.06964	1.5
142.07747	2.2
143.08546	2.5
144.09390	0.8
145.06453	0.6
145.10127	6.5
147.08064	0.7
147.11676	2.4
147.94514	0.7
149.09677	0.8
152.06201	6.3
153.06985	4.7
155.08572	1.0
156.09315	0.9
157.10143	4.9
158.10841	0.6
159.08057	1.1
159.11694	5.6
161.09587	1.7
161.13234	1.2
168.05739	1.9
169.10123	2.0
169.42229	0.7
170.10883	0.8
171.11656	3.1
171.47578	0.6
173.13275	1.9
174.99210	12.0
175.14854	3.3
179.08528	0.6
181.10104	1.5
183.11627	1.0
185.13168	1.5
187.11143	1.5
187.14822	1.7
189.16350	0.8
197.13219	1.2
199.14795	2.3
207.11688	0.7
209.13234	1.6
211.14801	1.1
213.16386	1.0
215.02544	1.4
217.15825	0.9
228.09343	1.7
233.03641	6.7
251.00090	2.0
251.04628	3.8
282.62302	0.8
327.07773	21.3
327.23209	2.9
328.08154	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1587
Annotation	Gingerenone C
Peak:m/z	Relative Intensity
53.03926	0.9
55.01860	1.0
60.04523	0.7
67.05489	0.7
69.44410	4.6
69.44817	1.1
70.06577	0.6
77.03902	0.5
77.84554	0.4
79.05474	1.9
80.98489	0.5
81.07032	1.7
87.18183	0.4
91.05472	5.8
93.07050	0.9
94.04161	2.3
95.04939	1.7
95.08587	0.7
96.63891	0.5
98.20663	1.1
98.98454	28.0
103.05456	19.8
105.07018	9.7
107.04919	3.7
108.05713	0.5
109.06516	2.8
113.75130	0.4
115.05421	1.6
115.49889	0.4
116.99477	0.9
117.06999	2.5
119.04932	2.4
119.08534	0.6
121.06497	7.2
122.03639	6.8
123.04384	0.6
123.08092	1.0
128.06227	0.8
129.06998	1.0
131.04921	21.9
133.06476	34.4
134.06845	0.7
135.08032	12.9
136.05153	0.9
137.05963	100.0
138.06302	2.0
143.04913	0.9
143.08572	0.7
145.06480	8.0
147.04335	0.7
147.08047	2.3
149.05989	1.8
151.03947	1.0
151.07529	12.0
157.06450	3.1
160.05186	0.8
161.05984	0.8
162.06754	1.0
163.07527	55.3
164.07863	1.5
169.06506	0.5
171.08035	1.4
174.99236	3.3
175.07507	3.8
175.39404	0.5
177.05521	0.8
177.09180	1.1
187.07552	1.3
188.08235	0.6
189.09090	2.7
203.08659	0.5
203.10658	1.8
206.07289	0.7
217.10243	0.7
220.08730	0.7
235.11157	1.9
245.09528	0.7
247.55843	0.5
248.08528	0.7
263.10623	3.8
267.13507	0.5
277.08783	0.6
295.09900	1.0
295.13248	10.2
296.13651	0.7
299.12891	0.6
312.13660	0.9
327.12173	3.8
327.15906	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	327.1224
Annotation	Egonol
Peak:m/z	Relative Intensity
53.03890	0.5
55.01860	0.9
60.04502	1.1
65.03930	0.9
67.05485	0.7
69.50794	5.1
70.06585	0.8
72.08146	0.6
79.05479	1.2
81.03385	0.6
91.05495	3.9
93.07099	0.7
95.04939	0.8
98.98454	100.0
103.05440	3.3
105.07010	2.6
107.04943	2.0
109.06491	0.7
115.05428	2.2
116.99496	3.3
117.07029	0.7
119.04940	1.8
121.06497	1.0
122.03629	2.0
123.04434	2.5
129.06996	1.4
131.04932	3.9
133.02820	1.3
133.06480	5.6
135.08047	1.5
137.05966	24.7
138.06238	0.6
140.01033	0.8
143.04959	1.4
145.06448	1.5
149.06012	1.3
151.03940	2.3
151.07518	2.0
153.05489	1.1
161.05913	1.8
163.07529	8.6
165.05486	0.8
165.06902	0.9
167.08524	0.7
173.06030	1.1
173.61819	0.6
174.06757	0.6
174.99203	11.0
175.07558	2.4
178.07704	1.2
179.08502	0.6
181.06470	0.7
187.07516	1.0
189.07008	2.0
190.07761	1.5
191.08507	4.0
192.09239	0.6
194.07181	1.3
195.08023	0.7
202.07755	3.5
203.06963	0.7
203.08568	4.3
205.06477	2.4
206.07309	1.9
207.08047	1.7
209.06122	0.8
217.06485	0.9
218.07242	2.0
219.08029	19.6
220.08678	2.9
221.05960	0.8
221.09459	1.5
223.07520	0.5
225.09077	0.8
231.07996	5.2
232.08771	0.5
233.05980	1.8
234.06772	4.0
235.07581	3.6
236.08284	0.8
237.09088	1.5
240.07803	0.8
241.08582	0.9
246.06790	0.7
247.07513	14.6
248.08284	4.2
249.09067	5.1
250.09837	0.6
251.00073	1.0
251.07001	0.7
251.10635	0.8
259.07529	2.4
261.09109	1.2
262.06256	1.9
263.06995	1.6
263.10672	2.2
264.07764	0.7
265.08597	1.6
266.09354	0.8
267.10120	2.9
268.07324	0.6
276.07846	2.6
277.08578	10.4
278.09082	1.3
279.07315	0.5
279.10065	3.6
280.10611	0.6
281.11511	2.6
283.09537	2.7
291.10101	3.2
294.08917	0.9
295.09708	2.1
295.13416	1.6
297.11172	4.1
299.12631	1.4
309.11179	20.4
310.11639	0.9
327.08331	1.2
327.12183	13.2
327.15259	0.7
328.12698	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.1963
Annotation	Unknow
Peak:m/z	Relative Intensity
71.49300	1.3
81.07016	1.3
93.03725	0.8
98.98459	61.9
116.99471	2.5
137.00801	1.4
137.05945	0.8
139.02370	0.7
140.01053	1.3
153.00282	6.2
155.01894	23.9
156.99806	3.0
162.03951	0.9
171.01385	100.0
172.01405	3.2
172.99358	2.9
173.01743	0.8
174.99197	7.2
178.03510	2.8
193.74789	0.8
194.02974	7.5
206.10640	0.7
219.08711	1.2
221.10188	5.7
222.65637	0.8
237.09697	16.3
244.11847	1.4
260.11343	1.2
285.16977	1.4
303.18054	22.5
304.18475	1.0
327.07520	0.7
327.18030	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	326.2323
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81275	0.8
53.03933	1.7
55.01877	1.4
55.05504	5.7
57.03427	1.9
59.04993	1.2
60.08704	0.9
61.02917	4.8
65.03928	1.1
67.05502	20.4
68.05019	2.0
69.07048	4.1
69.45820	6.7
69.46242	2.3
70.06586	42.7
71.04986	87.5
72.05285	1.0
72.08153	0.9
73.06539	1.1
74.41873	0.7
79.05489	17.4
81.03411	3.8
81.07048	22.7
82.07384	1.0
83.08630	1.2
84.04498	3.5
85.02911	1.3
85.06539	0.9
91.05486	5.7
93.07030	6.5
94.06565	0.8
95.04975	3.4
95.08598	34.4
97.06511	2.0
97.10151	1.5
98.06037	1.9
98.20715	1.8
98.98457	100.0
105.07009	8.3
107.08583	23.7
108.08892	1.5
109.06532	2.4
109.10152	14.6
113.09634	92.2
114.05540	2.8
114.10011	1.8
116.07081	46.7
116.99508	3.9
117.07010	1.1
119.08556	13.0
119.09325	1.5
121.10143	3.2
123.04414	0.9
123.08069	3.4
130.04991	2.1
131.08572	1.6
133.10152	5.4
135.11670	2.7
137.05954	2.4
137.09674	1.7
147.11697	1.6
148.06032	2.6
149.13240	18.9
150.12785	2.5
151.14809	9.3
158.08167	2.8
161.13260	23.0
163.14807	1.8
165.01920	1.3
174.99203	13.1
179.14281	11.2
196.13318	19.4
207.08136	1.2
235.07541	1.2
248.13756	1.7
250.99959	1.7
264.15918	2.1
277.08633	2.1
282.23215	1.3
294.20654	18.3
299.05692	1.3
299.12808	1.0
308.15179	1.5
308.22214	10.8
326.07431	1.4
326.11429	1.9
326.15744	2.7
326.19598	2.0
326.23193	2.2
327.05032	1.6
327.12329	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	326.1957
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03965	0.9
55.05528	2.0
56.05043	0.6
57.03427	0.9
67.05524	1.5
68.05050	1.0
69.07080	1.4
70.06613	1.7
71.18273	1.0
79.05488	2.7
80.05048	1.7
81.03443	0.9
81.07076	2.3
83.08623	0.9
84.04501	6.5
85.02895	10.2
91.05496	1.4
93.07048	6.6
94.06569	0.8
95.04988	0.6
95.08607	1.4
98.02418	0.6
98.23463	0.6
98.97817	1.3
98.98457	26.7
100.11255	0.6
102.05537	0.9
105.07030	0.9
107.08591	2.9
108.08112	21.0
108.08804	1.2
109.02892	1.7
109.08966	1.1
109.10162	1.1
110.09697	2.6
114.05586	1.4
116.07124	1.9
116.99485	0.8
119.08581	3.2
122.09661	11.0
123.10476	1.8
130.04979	0.8
131.03360	1.1
133.10130	1.0
134.09686	0.8
135.11668	4.5
136.11211	3.1
137.06029	0.6
138.48882	0.5
142.12366	0.7
150.11571	1.4
150.12767	22.7
151.13556	7.5
152.14328	9.0
161.13210	0.8
174.99281	3.2
178.16156	0.6
181.72241	0.6
181.86813	0.6
185.17653	0.6
190.15948	1.0
194.11755	1.0
208.13533	1.3
210.07573	1.0
222.11197	1.2
228.12305	2.0
236.16431	1.5
238.10612	0.8
238.14450	0.6
252.12360	1.8
264.15994	3.5
280.15317	1.3
282.16974	100.0
283.17429	2.9
284.18561	4.4
308.18597	1.6
326.15973	6.3
326.19562	56.1
327.19754	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.1231
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76472	0.4
59.27531	0.3
60.04514	0.4
69.03403	0.6
70.06574	1.9
70.34154	1.1
70.34575	1.0
72.08156	0.5
81.03387	0.8
84.08147	1.2
85.02896	2.4
91.05466	5.4
93.07003	1.1
95.04956	0.6
97.02882	0.8
98.98455	63.5
103.05416	0.7
110.07151	2.5
114.33334	0.3
116.99502	2.2
119.04929	20.7
120.12886	0.4
121.06486	6.4
122.06013	3.5
122.18029	0.4
129.10223	0.6
136.07555	0.6
137.28423	0.4
140.01114	0.4
140.52145	0.4
145.04930	0.5
147.04387	89.8
148.04710	1.6
156.07610	0.6
159.98271	0.4
164.07045	100.0
165.07379	1.5
167.48874	0.4
172.58298	0.4
174.07018	0.3
174.99202	10.0
187.62454	0.4
194.10408	3.5
250.99959	0.7
265.69205	0.4
293.90469	0.4
303.02844	0.5
326.12277	0.6
326.18079	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2368
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	7.4
55.01860	14.1
55.05503	53.5
57.03427	17.7
59.04967	4.9
67.05500	73.0
69.03413	8.6
69.07065	35.2
71.04978	23.6
71.73287	7.6
76.50470	4.8
77.03918	5.6
79.05488	58.5
80.05882	5.7
81.03407	10.1
81.07047	71.9
83.04964	13.5
83.08610	22.5
85.06547	11.9
86.09697	18.2
91.05469	70.9
93.07033	63.0
94.07403	5.7
95.04961	20.3
95.08590	50.9
97.06528	26.7
97.10168	21.8
99.08084	10.8
105.07023	76.3
107.04948	13.0
107.08576	56.1
108.72945	5.6
109.06505	28.8
109.10159	51.9
111.08086	12.8
117.07004	14.6
119.08569	44.3
121.06496	21.7
121.10113	30.7
123.08083	21.8
123.11678	8.3
125.09624	21.6
129.06990	10.8
131.08545	30.4
133.06467	6.8
133.10100	64.5
135.08060	20.2
135.11702	13.2
137.06023	5.6
137.09674	14.1
139.11192	7.3
143.08543	15.7
145.06439	8.2
145.10123	20.9
147.08012	8.6
147.11649	24.2
149.09599	18.3
151.11172	35.3
152.11539	9.0
155.08629	6.2
157.10106	12.4
159.08067	10.3
159.11681	17.5
161.09631	13.0
161.13251	10.1
163.11099	10.1
169.10039	7.6
171.11754	10.5
173.09622	7.9
173.13252	8.0
175.11243	8.0
183.11719	6.3
187.14748	8.5
189.11253	5.7
207.13673	6.2
223.80025	4.8
249.18446	11.6
257.19043	14.6
263.16428	19.9
271.17050	8.7
275.20041	100.0
289.18042	24.0
307.19022	17.0
307.22708	34.0
325.06967	6.2
334.03403	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2368
Annotation	Annosquamosin G
Peak:m/z	Relative Intensity
55.01865	19.9
55.05503	24.6
57.03427	11.4
57.07075	4.9
59.09502	3.9
61.89415	3.9
67.05499	57.7
69.03429	4.5
69.07061	38.8
70.48262	3.4
71.04976	6.8
71.08607	6.9
79.05482	50.3
79.79312	3.9
81.03422	7.1
81.07047	100.0
83.04963	10.6
83.08609	19.2
85.06540	6.1
91.05472	42.1
91.77379	3.7
92.09600	3.7
93.07035	42.6
95.04948	17.1
95.08584	52.1
97.06513	36.1
97.10140	7.3
97.43871	3.8
99.08062	16.0
105.07034	33.7
105.76633	4.1
107.04945	9.0
107.08566	24.5
109.06512	25.1
109.10155	25.7
111.08096	7.1
117.06995	12.1
119.08572	23.9
121.06486	7.0
121.10154	23.1
123.08028	19.4
123.11699	10.0
125.09634	14.6
129.06964	4.6
131.08542	14.4
133.10103	23.3
135.08055	7.7
135.11697	7.3
137.09547	8.4
139.11197	4.5
143.08487	5.3
145.10086	17.4
147.11693	24.5
149.09592	13.8
149.13293	8.8
151.11121	7.3
157.10155	9.4
159.11656	10.3
161.13303	6.8
163.11168	9.7
169.10240	4.9
175.11220	5.2
177.12712	10.9
179.14352	4.3
181.12334	5.5
187.11192	6.1
193.12204	4.8
207.13768	4.0
229.19391	5.1
239.17975	6.6
247.20605	6.8
257.18985	11.2
265.21390	4.0
275.20044	64.2
278.99817	3.4
293.21069	22.4
304.54947	3.6
307.22678	19.0
325.20377	4.2
347.10229	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2369
Annotation	Decylubiquinol
Peak:m/z	Relative Intensity
51.93559	2.9
53.03941	5.9
55.01869	8.7
55.05507	21.4
57.03427	3.7
60.03156	3.6
62.06076	30.0
66.05660	3.1
67.05498	62.7
69.03399	4.4
69.07067	33.5
70.46471	14.6
71.04995	27.9
75.23651	3.4
79.05490	38.8
81.03384	4.2
81.07051	100.0
83.04980	5.2
83.08618	12.9
85.06519	5.2
91.05477	34.0
93.07035	38.1
95.04961	13.4
95.08598	45.0
97.06518	15.0
99.08073	3.9
99.46835	3.4
105.07027	26.8
107.04954	13.1
107.08588	24.3
109.06510	15.3
109.10133	21.1
111.04428	9.9
111.08075	8.7
113.09666	7.6
117.07039	8.0
119.08575	19.2
121.06528	8.6
121.10119	19.2
123.08061	17.0
123.11694	12.0
131.08565	14.4
133.10138	19.5
135.11694	12.3
137.09605	9.7
139.11209	5.5
145.10121	15.0
147.11684	24.0
149.09613	15.3
149.13231	8.8
151.11195	6.1
159.11726	8.7
161.13261	4.1
163.11171	11.2
163.14799	5.8
165.12662	7.1
173.13231	4.7
177.12759	4.6
183.11725	4.2
229.19481	5.4
239.17860	5.0
247.20604	5.8
257.18915	7.1
275.20016	40.9
289.21768	3.5
293.21152	17.6
307.22726	20.2
325.29416	4.7
329.31314	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.237
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	5.8
55.01865	14.2
55.05507	94.0
57.40776	4.2
62.06080	16.8
67.05500	72.5
68.68698	4.4
69.03419	4.8
69.07073	32.7
69.91637	19.9
69.92057	7.6
71.04981	13.0
71.08631	5.7
73.06551	75.3
74.70438	4.3
79.05487	53.3
81.03412	8.1
81.07048	66.3
83.04972	19.7
83.08612	58.1
85.06532	11.9
91.05473	50.9
93.07040	59.1
95.04948	56.0
95.08601	38.7
97.06532	9.8
97.10146	11.4
105.07011	45.0
107.04957	17.1
107.08583	52.4
109.06502	18.9
109.10121	24.7
111.04427	12.6
111.08094	8.1
113.06062	4.3
117.07037	12.0
119.08569	26.9
119.09285	4.9
121.06516	12.3
121.10123	31.8
121.48637	4.1
123.08076	9.5
125.05968	7.9
125.09657	9.4
131.08592	24.8
133.10144	29.0
135.08022	11.2
135.11691	17.3
137.09575	7.9
139.11177	4.7
143.08553	7.1
145.10124	25.7
147.08023	6.6
147.11678	22.9
149.09604	36.6
151.11174	10.1
157.10188	5.3
159.08115	4.3
159.11694	11.6
161.09644	5.9
161.13281	8.8
163.11174	32.6
165.12746	15.8
171.11693	7.9
173.13257	6.6
177.12767	11.3
179.14362	9.3
181.12193	10.5
189.11154	10.7
189.12732	6.2
191.14256	4.3
197.13220	5.1
205.12267	7.9
207.13780	8.5
219.13823	4.4
223.13257	38.8
229.19562	5.0
237.14746	5.5
257.19067	17.8
264.13412	4.9
275.20035	100.0
289.21573	11.5
293.21091	45.3
307.22577	33.1
325.23636	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	325.237
Annotation	Annosquamosin G
Peak:m/z	Relative Intensity
53.03936	3.8
53.92017	1.5
55.01870	1.7
55.05504	31.7
57.03433	20.5
57.07065	12.2
59.46402	1.2
59.68301	1.2
65.03921	2.5
67.05497	94.1
69.03391	1.7
69.06694	2.4
69.07057	33.3
70.06573	3.5
70.45229	1.4
70.45569	6.1
71.04982	4.6
71.08609	2.0
74.88497	1.5
79.05485	49.0
81.03381	1.7
81.07047	100.0
82.07395	1.5
83.04966	5.9
83.08614	24.6
85.06509	3.7
85.10125	1.5
88.07613	2.8
91.04928	1.9
91.05466	29.7
91.06382	1.4
93.07036	53.3
95.04961	12.5
95.08593	82.4
96.08105	1.6
97.06516	13.8
97.10156	9.0
99.08076	4.2
102.09150	1.8
105.07020	15.9
107.08581	26.3
107.35270	1.4
109.06500	3.1
109.10144	35.1
111.08085	9.6
117.06987	5.0
119.08562	11.7
121.10136	42.0
121.45281	1.5
123.08049	3.9
123.11681	15.0
125.09632	4.0
127.07481	1.6
131.08546	7.4
133.10112	23.1
135.08046	3.4
135.11681	25.3
137.09584	4.6
137.13251	3.4
139.11142	2.6
145.10068	11.1
147.08018	1.8
147.11674	8.3
149.02324	8.7
149.13242	9.4
151.11154	6.3
157.10130	3.0
159.08046	1.8
159.11688	5.3
161.09531	1.7
171.11722	3.5
173.13251	4.4
177.80077	1.4
181.12140	2.6
183.11652	3.2
187.14751	2.4
189.16252	1.8
193.04930	18.4
195.11700	2.4
195.13564	1.9
197.13162	1.5
205.19403	1.7
210.64090	5.2
215.17883	10.7
223.14803	1.6
224.65663	6.5
225.16267	1.4
233.18945	8.4
235.20535	5.5
251.20071	7.8
256.26306	2.9
265.26547	1.4
283.10678	1.8
325.15393	1.8
325.23273	42.7
325.26566	11.4
325.76141	7.7
326.23721	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	325.237
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	6.6
55.05504	38.6
55.71556	4.4
57.07056	6.0
59.04980	9.5
59.41360	3.9
62.06077	14.5
66.24042	4.4
67.05498	99.6
69.03432	7.4
69.07055	37.6
69.47800	44.6
69.48224	7.9
71.04991	80.3
73.06566	25.2
79.05486	57.6
81.03383	5.9
81.07050	99.5
83.04967	11.8
83.08620	37.4
85.06538	12.2
91.05467	56.3
93.07039	58.2
95.04963	18.0
95.08598	72.9
97.06512	17.8
97.10167	10.6
98.20665	8.6
105.07021	47.4
107.04940	11.9
107.08585	37.0
109.06522	19.1
109.10149	43.2
111.08092	14.8
117.07011	17.9
119.08541	39.5
121.06491	10.3
121.10126	37.5
123.08117	9.7
123.11709	9.5
125.09616	8.9
129.06996	9.6
131.08546	20.3
133.10089	28.9
135.08003	7.1
135.11678	25.5
137.05995	4.4
137.09604	20.6
143.08572	9.8
145.10117	24.9
147.11667	15.8
149.09621	26.4
149.13271	5.3
151.11176	8.6
153.12842	5.7
155.08539	6.2
157.10092	7.8
159.11720	16.3
161.13248	6.6
163.11143	17.3
171.11720	15.8
173.13277	13.0
177.12802	5.6
183.11705	8.6
197.13266	5.4
199.14906	4.9
210.93159	5.0
234.77893	4.8
237.14796	5.9
237.18475	8.9
247.20651	10.5
257.18890	9.5
265.21628	8.9
275.20035	100.0
289.21863	8.1
293.21188	12.1
307.22632	61.3
325.24060	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	325.2119
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38974	0.7
55.05507	1.2
56.05011	0.9
57.03427	1.0
68.05000	0.9
69.03423	1.2
69.07051	1.6
70.06575	1.1
70.44851	1.5
70.45246	1.5
72.98708	0.6
79.05461	1.7
81.07027	2.6
82.06547	1.4
84.04501	12.7
84.08109	1.9
85.02895	13.8
86.06049	5.0
87.04449	1.0
91.05466	2.8
93.07041	4.1
94.06552	0.8
94.36835	0.6
95.01311	1.6
95.08556	1.0
96.08117	1.5
98.06020	1.1
98.20682	0.7
102.05527	7.7
105.03377	0.7
107.08566	2.7
108.08107	38.5
109.10075	0.8
110.09678	4.2
112.04015	0.7
122.09665	3.3
123.10426	2.0
124.11178	1.2
130.04990	61.9
134.09657	2.0
135.11678	4.9
136.11183	1.1
138.09085	1.3
150.12766	11.1
151.13461	2.0
152.14330	81.6
153.14668	2.4
154.15903	4.7
164.14343	0.9
178.15924	2.6
190.15874	1.7
191.08141	1.6
193.13409	1.1
196.16951	22.6
197.17307	0.9
235.18066	2.2
264.15933	12.3
265.15973	0.8
266.17621	0.9
281.18579	100.0
282.18964	5.3
283.20120	1.2
308.18494	3.4
325.07056	2.7
325.21188	49.9
326.21426	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	325.2117
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.5
55.01868	0.7
55.05502	1.1
55.24318	0.3
56.05025	1.0
57.03433	0.8
58.38028	0.3
59.04996	6.8
65.03943	0.5
65.73500	0.3
67.01862	0.5
67.05496	2.8
68.05011	1.0
68.99793	1.4
69.03425	1.0
69.07076	0.7
69.59403	2.9
70.06586	2.7
70.98531	0.3
72.08146	1.2
77.06030	0.7
79.01856	0.4
79.05494	3.7
80.05006	0.8
81.03413	1.1
81.07058	2.0
82.06556	0.5
83.04969	0.7
83.08618	1.1
84.04499	6.8
84.08135	1.3
85.02895	10.6
86.06065	3.4
86.09686	0.6
87.04462	3.6
89.03905	0.6
89.06047	1.7
91.05463	2.1
93.07036	4.0
94.06593	0.4
95.01312	1.0
95.04968	3.8
95.08599	1.0
96.08126	0.8
97.06549	0.6
98.06071	0.8
98.09689	0.5
101.58375	0.3
102.05529	5.8
103.03927	2.9
103.07559	0.7
105.03379	0.5
105.07023	0.8
107.04957	3.1
107.08610	1.8
108.08111	19.8
109.02846	0.6
109.08877	0.4
109.10036	0.3
110.09684	2.0
112.03932	0.8
112.68140	0.3
114.05497	0.7
115.05447	0.4
116.07059	0.7
117.03338	0.6
117.06947	0.4
119.08584	1.1
120.08044	0.5
121.02874	1.8
121.10160	0.7
122.09636	2.0
123.04439	0.5
123.10426	1.1
123.11687	0.4
124.11234	0.7
130.04994	44.6
131.05386	0.5
133.08553	0.5
133.10112	0.5
134.09613	1.0
135.04411	6.2
135.08084	0.6
135.11699	2.3
136.11237	0.6
137.02342	3.4
137.05949	2.1
138.09142	0.5
145.02870	0.8
145.04944	0.5
145.10158	0.5
147.08044	0.8
147.11736	0.4
149.02371	0.4
150.12753	5.9
151.13565	0.9
152.14334	54.9
153.14674	1.1
154.15891	1.3
161.02307	2.9
161.05968	0.4
161.13240	0.4
163.00233	1.4
163.03896	11.4
163.07529	0.4
163.09634	3.5
164.04219	0.4
175.07571	2.0
177.07085	0.4
178.15845	2.0
179.03349	0.6
181.04936	5.2
181.06445	0.6
189.09177	0.4
190.15985	0.5
191.03381	6.3
191.09145	0.5
196.16954	22.9
197.17410	0.6
209.00853	1.1
209.04333	1.8
209.10226	0.8
218.15363	0.4
223.07532	0.6
235.18007	1.7
236.16458	0.8
237.19525	0.7
255.06552	0.8
261.19547	0.8
264.15921	7.4
269.08026	0.8
279.06509	0.7
281.18585	38.5
282.18890	1.4
284.06317	0.3
296.06470	1.0
297.04184	1.1
297.07538	16.6
298.07901	1.6
299.05460	0.4
307.05945	0.9
307.12631	0.4
307.19965	0.5
308.18539	2.9
310.04669	1.1
325.03766	4.7
325.07022	100.0
325.21188	41.5
325.24155	0.9
326.07367	11.4
326.15799	0.7
326.19696	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2119
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.3
53.69924	0.6
55.01861	0.7
55.05503	2.0
56.05031	1.8
62.33559	0.6
67.05488	1.8
68.05018	1.4
69.03422	4.0
69.07054	1.6
70.06571	2.5
70.97977	2.0
71.04992	1.8
79.05488	3.1
80.05001	2.2
81.03400	3.6
81.07038	3.0
82.06580	1.7
83.04979	0.9
84.04498	17.1
84.08140	2.3
85.02900	19.7
85.04823	0.6
86.06064	6.7
86.09700	0.7
87.04453	1.9
91.05463	10.5
93.05769	1.6
93.07041	7.0
95.01325	2.4
95.08595	1.0
96.08108	2.5
97.02843	0.7
98.06030	2.9
98.09686	0.6
99.04461	0.9
102.05529	10.2
103.99692	0.7
105.07001	1.8
106.06540	0.8
107.08585	3.5
107.80096	0.8
108.08109	44.5
109.06503	1.1
109.10155	0.9
110.07150	0.7
110.09666	4.2
111.04453	0.9
112.03947	1.6
114.05495	1.3
118.06564	0.9
119.04977	0.7
119.08562	1.3
120.08129	0.8
121.02894	0.8
121.10133	1.6
122.09671	3.2
123.10429	1.7
123.11628	1.1
124.11227	1.7
130.04988	86.7
131.05264	0.7
133.10109	1.4
134.09669	2.2
135.04472	0.9
135.11699	5.1
137.05984	2.8
138.09140	0.9
145.06483	0.7
145.07616	1.3
147.08096	0.8
147.09181	1.1
150.12766	12.8
151.13527	3.1
152.14328	100.0
153.14651	3.3
154.15860	4.2
158.97412	0.8
161.13304	0.8
164.07091	0.9
173.07138	1.6
175.07422	1.7
175.08777	1.1
178.15915	3.0
179.14191	0.7
190.15845	1.2
191.08153	17.4
193.13390	1.0
196.16954	39.0
197.17290	1.5
234.98914	1.2
235.18015	3.4
236.16563	1.0
237.19609	1.0
242.79425	0.7
261.19559	1.2
264.15939	15.8
266.17511	1.2
267.06601	0.8
281.18579	84.5
282.18964	4.3
283.20096	2.4
293.08020	0.9
297.07510	0.8
307.12766	4.8
307.20041	1.0
308.18460	6.3
325.03494	2.0
325.07062	7.1
325.14136	4.4
325.21179	86.1
326.21436	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2006
Annotation	Hynapene A
Peak:m/z	Relative Intensity
50.25299	0.9
55.01860	9.0
55.05507	19.0
57.03423	2.3
62.13485	1.0
64.89062	0.9
66.01583	1.0
67.05495	8.1
69.03406	1.8
69.07062	6.2
69.57572	5.6
69.57995	3.1
71.04978	3.0
79.00795	1.1
79.05486	9.2
81.03403	1.6
81.07048	8.3
83.04957	4.4
83.08611	20.7
85.06554	1.1
91.05483	5.1
93.07014	8.8
95.04948	3.2
95.08590	3.6
97.02869	4.2
97.06529	5.3
97.10161	7.7
103.05437	1.1
105.07008	2.8
107.04926	1.4
107.08580	6.7
109.06484	2.2
109.10152	2.7
110.03656	1.2
111.04433	2.3
111.08035	3.4
111.83849	1.0
112.93195	1.0
117.07014	1.6
119.08556	2.8
121.06515	2.8
121.10143	3.8
123.08031	2.0
125.09615	11.0
127.07538	8.4
127.34832	1.0
131.08551	2.1
133.10106	2.5
135.08025	3.8
135.11681	3.1
137.09605	2.9
139.07533	100.0
140.07796	1.3
142.19508	0.9
143.10590	1.1
145.10133	1.4
149.09621	2.0
150.09157	7.8
153.09084	2.8
153.12723	1.4
161.09752	1.1
163.07452	2.3
163.11098	2.8
169.12344	1.4
178.74654	1.1
181.08495	1.6
181.12193	2.7
188.03429	2.3
189.11211	20.9
191.10603	1.5
193.12260	5.5
219.13771	3.2
261.18481	1.2
271.16742	1.4
273.38873	1.1
289.17978	11.2
293.20959	1.0
307.19012	20.7
325.11624	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2005
Annotation	Hynapene A
Peak:m/z	Relative Intensity
53.03940	4.9
55.01862	2.5
55.05507	11.3
55.35210	0.8
57.03430	7.1
57.30786	0.9
61.02899	1.0
65.03922	1.5
66.04684	0.9
67.05492	16.0
69.03428	2.6
69.07048	5.1
70.01944	5.2
71.04977	2.0
79.05487	39.6
81.03403	4.4
81.07047	100.0
83.04979	5.6
83.08609	5.4
85.06544	1.0
89.36745	1.1
91.05461	14.0
93.07037	21.6
93.97481	1.0
95.04950	6.2
95.08597	18.6
97.06515	3.3
97.10177	3.7
105.07008	7.9
107.04955	3.9
107.08576	8.7
108.08118	1.3
109.06506	62.2
109.10161	5.9
111.08072	9.5
117.06988	3.7
119.08571	6.5
121.06535	2.7
121.10126	16.7
123.08040	12.1
123.08791	1.3
123.11641	1.3
125.08749	1.0
125.09627	4.0
129.07013	1.9
131.08553	5.2
133.10104	7.2
135.08051	3.3
135.11732	1.9
137.09619	3.1
139.07553	1.5
139.11131	4.1
141.09096	3.7
147.08038	1.7
149.06050	1.3
149.09573	5.8
151.07538	3.4
151.11168	2.7
157.10110	1.4
157.65544	0.9
159.07999	1.9
159.11711	1.1
161.09639	2.0
163.07611	1.2
163.11124	1.1
167.10670	6.5
173.09560	1.4
175.11153	1.0
176.07802	0.9
177.12749	1.4
179.10756	1.0
189.11133	1.9
189.14952	1.0
197.11670	1.6
222.13219	2.9
239.16342	2.2
243.17522	1.3
245.15297	1.5
253.15695	1.4
261.18512	4.0
263.16324	4.6
271.16940	4.1
281.17361	1.8
289.17993	9.0
295.86334	1.0
307.19131	3.2
325.15686	3.5
325.20126	11.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2005
Annotation	Hynapene A
Peak:m/z	Relative Intensity
53.03941	3.0
55.01872	8.7
55.05513	10.3
57.03430	5.3
57.07076	2.8
60.87725	1.4
67.05499	31.6
69.03403	2.1
69.07063	13.7
70.32681	3.0
70.33072	3.3
71.04982	5.0
73.64467	1.5
75.08208	1.4
79.05487	23.2
81.03403	2.8
81.07050	24.7
83.04978	5.1
83.08610	4.5
85.06539	3.6
91.05480	17.9
93.07044	15.0
95.04944	10.5
95.08597	9.5
97.06523	100.0
97.10163	3.0
99.04440	1.8
105.07036	18.2
107.04928	5.7
107.08579	17.9
109.06507	8.0
109.10154	26.3
111.04439	2.6
111.08058	6.1
113.05997	7.5
116.43339	1.5
117.07029	2.1
119.08583	6.0
121.06556	2.3
121.10104	2.5
123.04411	1.5
123.08057	3.5
123.11700	2.5
125.09631	5.7
128.06212	1.7
129.06995	3.0
131.08551	4.8
133.06525	2.0
133.10129	29.5
135.08067	2.9
137.09613	2.6
141.07010	1.8
145.06474	2.7
145.10123	3.5
147.08044	3.1
149.09615	2.7
151.07533	1.4
151.11156	14.1
159.08018	2.1
159.11797	1.8
165.09114	1.9
165.18088	1.5
169.12218	3.9
171.07961	1.6
173.09587	2.7
175.11139	2.2
177.12666	2.2
179.10686	1.7
189.11208	1.9
211.13329	2.6
215.12663	1.9
237.14769	1.9
243.17490	2.2
261.18460	4.3
263.16501	5.7
271.09756	1.9
271.16956	3.1
279.19565	2.2
289.10635	4.3
289.17987	15.5
307.19122	11.5
325.20062	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	325.1644
Annotation	yanuthone I
Peak:m/z	Relative Intensity
53.03930	6.1
55.01867	19.3
55.05505	14.7
56.92002	1.0
57.03443	4.3
57.07062	1.8
58.89724	0.8
61.85544	0.8
65.03938	2.3
67.05499	26.8
69.03421	3.0
69.07066	14.2
70.85126	2.7
71.01342	1.9
71.04968	5.2
73.02908	1.2
78.31293	0.9
79.05486	34.7
80.05806	1.0
81.03409	100.0
81.07047	31.2
81.07542	1.0
82.03757	1.0
83.01333	1.5
83.04973	9.6
83.08616	4.2
85.02883	2.5
85.06523	2.3
87.21991	0.8
91.05469	32.5
91.06048	1.7
93.07038	25.0
95.01344	1.2
95.04962	38.5
95.08595	25.0
95.71230	0.9
97.02893	3.2
97.06518	5.1
97.10175	3.8
99.08092	1.0
100.74144	1.0
101.02380	2.8
103.05463	3.4
105.07014	22.6
107.04942	19.7
107.08581	12.6
109.02904	2.0
109.06509	11.3
109.10158	6.6
111.04428	3.5
111.08086	2.7
115.05431	1.8
117.07021	8.5
119.04949	5.2
119.08575	18.8
121.02869	5.1
121.06490	26.3
121.10133	8.0
123.04433	9.1
123.08064	6.3
123.11707	1.9
125.02337	4.2
125.05973	2.0
125.09605	1.9
128.06224	2.1
129.06999	12.0
131.04933	3.1
131.08571	10.1
133.06505	6.1
133.10121	10.3
135.04416	7.2
135.08032	5.1
135.11708	4.4
137.05954	10.1
137.09612	2.0
139.03928	1.9
139.11189	1.7
141.06976	1.4
143.08537	7.8
145.06485	3.5
145.10092	10.5
147.04396	7.1
147.08035	8.4
147.11661	5.6
149.05952	5.9
149.09612	2.2
149.13260	2.7
151.03882	2.5
151.07593	1.2
151.11241	1.0
152.14258	1.0
155.08553	1.8
156.09291	1.0
157.10114	1.7
159.08011	2.6
159.11691	5.2
160.05272	1.2
161.05994	3.7
161.09612	3.4
161.13248	9.2
163.03874	4.2
163.07578	2.4
163.11192	3.1
165.05495	3.3
165.06905	1.3
169.10133	1.6
171.11684	20.0
171.13080	1.6
173.05983	1.6
173.09639	1.7
173.13249	1.5
175.07532	2.1
175.11139	1.3
177.05537	1.6
177.12756	3.2
179.14325	4.0
183.08038	0.9
183.11899	1.1
187.11192	1.9
187.14842	1.5
189.12709	10.8
191.14278	1.4
193.12122	1.1
195.13792	1.1
197.13301	1.4
199.11150	1.4
201.12769	3.4
205.12242	1.4
207.13788	60.9
208.14095	2.3
215.14305	3.7
217.12173	1.8
219.13812	3.7
225.12752	1.3
233.15350	6.6
237.14766	0.9
243.13759	5.6
245.15363	1.3
247.13274	1.1
249.14833	3.4
259.13153	1.2
261.14859	24.5
263.16458	1.5
271.13315	3.9
277.14297	21.0
279.15756	4.8
289.14331	39.8
290.14587	1.8
295.15359	9.6
307.15363	27.9
325.06998	1.5
325.10611	2.1
325.16434	28.8
325.20337	1.7
326.16693	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.143
Annotation	4-Hydroxycordoin
Peak:m/z	Relative Intensity
50.01593	0.3
50.33046	0.1
51.02357	0.7
53.03941	3.9
53.51689	0.1
54.73128	0.1
55.01851	0.2
62.06094	0.1
66.23150	0.1
67.05503	0.3
69.07058	0.6
70.35601	0.2
70.36017	0.4
70.36888	0.1
77.03899	1.1
79.05501	0.1
81.03426	0.6
81.07044	0.3
81.34074	0.1
83.01359	0.2
83.04976	0.2
91.05446	0.3
93.07047	0.2
95.04957	7.9
95.08598	0.3
96.05276	0.1
98.21367	0.1
105.03380	100.0
106.03711	2.3
118.06554	0.2
123.04364	0.1
135.04388	0.1
137.02322	0.1
151.03868	0.3
161.09625	0.3
165.05450	0.3
179.03381	1.9
187.11014	0.1
197.04422	1.7
213.09027	0.2
219.10078	0.2
225.09050	1.0
247.09566	0.2
257.08026	2.0
266.13968	0.1
269.08075	0.2
325.14310	9.3
326.14737	0.7
338.92572	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	325.1645
Annotation	yanuthone I
Peak:m/z	Relative Intensity
53.03942	6.9
54.48199	1.3
55.01869	30.0
55.05503	21.3
57.03427	7.6
57.07061	4.1
58.36256	1.3
61.02910	1.9
65.03903	2.6
67.05140	2.7
67.05498	39.6
69.03421	6.9
69.07059	26.2
70.06577	3.2
71.01340	2.9
71.04986	6.8
71.73668	2.5
72.08131	1.8
73.02912	2.8
79.05489	36.9
81.03410	100.0
81.07049	55.6
81.07447	1.1
81.56440	1.3
82.07362	2.2
83.01318	3.6
83.04968	10.6
83.08620	8.4
84.08118	1.6
85.02876	5.6
85.06541	6.5
85.10163	1.5
91.04932	2.6
91.05470	45.6
93.07035	37.4
95.01321	2.4
95.04958	52.1
95.08597	33.3
96.05253	1.7
97.02860	6.8
97.06516	9.9
97.10152	9.5
98.97630	1.5
99.08051	3.7
101.02372	2.6
101.63353	1.3
103.05438	4.4
105.07011	33.0
107.04942	23.6
107.08576	19.6
109.02863	5.3
109.06506	18.2
109.10148	12.0
111.00814	1.4
111.04446	7.0
111.08040	4.4
111.11695	3.6
113.05998	1.8
115.05447	2.5
115.07545	1.6
117.07033	11.6
119.04959	7.1
119.08567	23.4
121.02853	8.7
121.04349	1.3
121.06500	30.5
121.10141	14.9
123.04414	12.5
123.08066	9.2
123.11658	6.2
124.05162	1.7
125.02364	8.3
125.06005	3.2
125.09593	5.0
128.06195	2.6
129.06992	11.0
131.04907	5.8
131.08563	20.4
133.02863	2.8
133.06503	8.6
133.10115	18.4
135.04399	12.2
135.08070	10.6
135.11656	6.5
137.05966	18.8
137.09593	4.6
137.13193	1.8
139.03886	3.9
139.11127	2.9
141.06978	2.6
143.08556	10.0
145.06451	3.7
145.10114	14.0
147.04385	8.5
147.08018	8.2
147.11699	7.4
149.01208	3.2
149.05956	5.9
149.09599	6.8
149.13239	5.8
150.12805	2.3
151.03818	3.0
151.07504	5.1
151.11176	2.3
153.05383	1.6
155.08464	4.0
156.09169	1.6
157.10089	5.2
159.08031	4.0
159.11665	10.2
161.05983	4.4
161.09595	5.2
161.13248	10.8
163.03902	8.6
163.07611	7.0
163.11174	3.9
163.14771	2.0
165.05426	3.6
165.09134	1.6
165.12682	2.0
167.02161	1.6
169.10080	3.4
169.37450	1.3
171.11664	19.5
173.05928	2.5
173.09627	2.2
173.13275	2.7
175.07486	4.2
175.11165	2.2
177.05463	2.3
177.12741	6.7
179.10628	1.8
179.14250	4.1
183.11670	2.2
185.09622	1.6
187.07599	1.9
187.11172	2.8
187.14908	1.4
189.09032	1.6
189.11244	1.9
189.12752	12.1
191.14227	3.2
194.07298	2.0
195.13724	2.0
197.13254	3.7
199.11124	2.1
201.12767	5.0
203.10518	1.8
205.12140	2.8
207.13783	63.0
208.14124	2.7
215.14320	5.0
217.12257	3.3
219.13774	5.1
222.06673	1.4
225.12668	1.6
225.87224	1.4
233.15268	10.8
235.13153	1.8
237.09106	2.8
243.13817	8.3
244.09627	10.5
244.59743	1.5
245.15265	1.8
247.13260	3.2
249.14815	4.9
250.06110	2.3
261.14841	37.5
263.16428	3.7
264.07709	1.6
265.08502	4.6
265.14285	3.4
267.06561	1.5
271.13211	2.7
277.14377	20.3
279.15939	5.7
282.08688	1.8
289.14328	69.1
289.17618	2.2
290.14719	3.3
293.07913	3.5
293.11096	1.7
295.15268	5.9
297.07773	2.5
297.11188	1.5
307.09973	2.6
307.15381	45.0
307.18903	1.9
307.22708	2.3
307.26050	1.8
308.15701	2.6
310.08087	1.9
325.06918	4.7
325.11224	10.5
325.16403	39.3
325.20679	2.3
347.35373	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.143
Annotation	Glabridin
Peak:m/z	Relative Intensity
53.27264	0.6
54.39483	0.8
55.95954	0.7
60.84788	0.7
63.78009	0.7
69.07066	0.9
69.49932	6.8
70.06567	2.9
72.08142	1.1
73.23728	0.6
79.05474	2.5
84.04481	0.7
84.08118	2.0
85.02895	1.9
86.09683	1.7
91.05463	11.6
94.04148	2.3
95.04973	1.7
103.05452	9.1
104.06222	1.1
105.07048	3.8
107.04941	2.2
107.08557	1.0
109.06497	0.9
109.83137	0.6
110.07122	0.9
115.05442	8.7
117.06995	8.7
119.08562	6.8
120.08072	2.9
120.32142	0.7
122.03617	7.6
128.06183	4.3
129.06987	9.9
129.10161	1.0
131.04901	17.7
132.05690	6.2
133.06422	1.5
133.88556	0.7
135.04367	1.2
135.07993	1.1
137.05956	99.6
138.06299	1.8
141.06969	16.3
145.06421	4.1
146.03587	0.9
147.04448	0.8
147.06847	1.4
147.08018	26.9
148.08409	0.9
149.05969	1.5
151.07532	1.8
155.97768	0.7
157.06528	3.7
158.07210	1.1
159.08014	1.1
160.05161	5.5
161.05984	7.4
163.03848	2.3
163.07521	17.1
169.06461	28.5
169.07906	1.4
170.06923	1.8
171.08035	0.9
173.09615	1.2
174.06657	1.2
175.07520	100.0
176.07855	3.6
178.15213	0.7
181.43686	0.8
186.06741	2.5
187.07500	4.2
188.08237	1.3
189.09070	12.6
190.07713	1.1
193.08598	2.0
201.05510	1.5
201.09065	13.0
202.09554	0.8
203.08414	0.9
205.10046	2.2
215.08502	1.3
218.07199	2.1
222.06638	0.9
233.09547	4.8
237.09105	0.8
250.09488	0.7
258.59009	0.8
261.09064	4.1
265.08499	1.1
265.12189	3.7
281.08240	1.0
293.11511	4.1
294.12463	0.9
297.07626	1.4
307.09521	1.4
325.07190	8.5
325.14270	61.9
326.14484	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1431
Annotation	Glabridin
Peak:m/z	Relative Intensity
51.14022	0.5
55.01871	1.1
55.05495	1.0
59.05011	0.7
65.03937	1.1
67.05183	0.5
67.05490	3.1
69.03417	1.3
69.07053	1.1
70.06595	0.8
71.04971	0.9
71.74747	0.7
71.75172	0.7
72.08146	1.1
73.02911	2.2
79.05471	3.1
81.03412	1.3
81.07058	5.0
82.40473	0.6
83.04970	0.6
84.08129	1.5
89.06030	4.1
91.05474	11.4
93.07042	2.1
94.04198	1.4
95.04943	1.8
95.08578	3.0
97.06552	0.8
97.10110	0.8
102.06780	0.9
103.05450	7.9
104.06272	1.3
105.03389	1.2
105.07035	3.6
107.04938	3.5
107.08591	1.7
109.06488	1.0
109.10143	2.6
111.08086	0.9
115.05447	8.6
117.07008	10.4
119.04955	0.7
119.08557	9.2
121.02821	0.6
121.06516	0.9
121.10146	0.8
122.03645	8.1
123.08087	0.8
123.11696	1.7
125.09639	1.0
128.06215	3.8
129.06995	10.1
131.04907	16.1
131.08545	0.8
132.05699	7.5
133.06477	1.0
133.08580	2.1
133.10097	1.0
135.04385	1.7
135.08020	1.4
137.05959	92.9
138.06302	1.7
141.06966	17.2
143.04884	1.1
143.08499	0.8
145.06467	4.4
146.03569	1.2
147.04425	1.2
147.08028	29.6
149.06029	0.8
149.09590	0.7
151.07571	1.4
155.08565	0.7
157.06464	2.7
158.07211	1.5
159.07999	1.7
160.05156	5.0
161.02325	0.7
161.05980	7.1
162.06599	0.8
163.03909	1.9
163.07536	15.6
169.06470	23.6
170.07097	2.0
173.05922	0.7
173.09633	1.0
175.07526	100.0
176.07864	3.9
181.04921	0.7
186.06758	1.6
187.07487	3.8
188.08348	0.8
189.09077	12.8
190.04996	1.0
190.07825	0.9
191.03500	0.6
193.08568	1.4
201.09096	13.5
201.12836	0.6
205.06548	1.2
205.10240	1.5
215.08569	1.1
218.07164	1.4
233.06017	0.7
233.09587	5.1
234.10080	0.7
250.09924	0.8
253.05052	0.7
261.09042	4.2
265.08670	0.7
265.12167	3.1
279.09860	0.8
280.19052	3.0
283.47607	0.7
293.08353	1.1
293.11517	4.9
294.11942	0.9
295.09689	1.0
297.07538	3.5
297.10480	0.7
307.09448	1.0
325.07254	13.7
325.11066	3.0
325.14249	61.1
326.07184	1.9
326.14627	4.7
326.19443	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1422
Annotation	Ovalifoliolatin A
Peak:m/z	Relative Intensity
53.03934	1.1
55.01862	1.1
57.03421	2.0
63.06055	0.9
65.29094	0.9
68.87871	0.8
69.03424	6.2
69.43607	6.8
69.44032	3.0
70.06580	1.3
70.11779	1.0
71.04999	1.6
76.23178	0.9
79.05485	1.6
81.03417	6.7
91.05470	10.3
94.04179	2.7
98.21387	2.4
99.04451	4.2
103.05457	9.2
104.06255	1.6
105.07051	2.0
107.04881	1.4
109.06468	1.5
115.05444	9.1
117.07002	9.2
118.06551	1.4
119.08578	7.2
122.03625	6.5
122.80317	1.0
128.06221	3.4
129.06990	9.2
131.04898	14.6
132.05728	4.6
137.05968	90.5
138.06299	2.9
141.06985	14.4
145.06464	4.1
145.07626	2.9
146.07278	1.2
147.08040	25.8
147.09120	2.7
157.06465	2.1
158.07291	1.1
159.07970	1.1
160.05191	6.0
161.06003	8.0
163.07524	17.5
163.46327	0.9
169.06471	23.6
170.07231	1.4
173.07127	4.0
175.07529	100.0
176.07845	3.1
186.06783	4.7
187.07570	3.3
187.31151	1.0
189.09071	12.7
189.10632	1.4
190.07730	1.0
191.08138	45.1
192.08542	2.2
201.09105	12.5
205.10133	2.2
212.94113	1.0
218.07181	1.7
221.98927	1.0
233.09575	5.4
249.21179	1.1
261.09079	4.8
265.08600	1.5
265.12164	3.8
278.09116	1.5
293.08578	1.0
293.11694	4.7
295.09750	1.6
307.09598	1.7
307.12787	13.9
310.11493	1.3
325.14246	69.7
326.14618	4.6
344.12085	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1433
Annotation	Glabridin
Peak:m/z	Relative Intensity
53.03929	1.1
55.01846	3.0
55.05493	2.8
57.03429	0.9
65.03919	1.0
67.05508	4.8
68.99766	0.8
69.03426	1.6
69.07040	3.1
69.44471	6.2
69.44901	3.2
70.06588	0.8
71.04961	1.4
73.67197	0.8
79.05495	5.6
81.03400	3.1
81.07044	8.2
83.04951	1.3
83.08614	1.1
84.04462	1.4
84.08133	1.1
85.02908	1.2
85.06579	1.0
86.35043	0.8
86.37115	0.8
91.05471	14.3
93.07036	5.0
94.04175	3.3
95.04962	5.2
95.08601	7.6
97.02849	1.0
97.06496	2.2
97.10160	1.6
97.92667	0.8
99.08080	0.8
103.05450	8.3
104.06209	1.7
105.07018	5.9
107.04962	4.3
107.08609	4.0
109.02937	1.0
109.06475	2.5
109.10133	3.4
111.08047	0.8
115.05447	11.2
117.07023	10.9
119.04913	1.1
119.08566	11.8
121.06473	2.7
121.10098	2.3
122.03633	10.0
123.08045	1.3
123.11702	1.7
128.00333	0.8
128.06212	3.8
129.06993	11.9
130.04947	2.2
131.04929	16.5
131.08513	1.4
132.05695	5.9
133.02837	1.3
133.06474	2.0
133.10063	1.9
135.04408	4.0
135.08026	2.3
135.11682	2.2
137.05966	96.4
138.06256	2.9
141.06985	17.6
143.08437	0.9
145.06459	3.8
145.10115	1.8
147.08040	32.7
148.08353	1.0
149.05980	1.0
151.07547	1.8
157.06448	3.4
159.07993	2.4
160.05211	5.1
161.02322	1.3
161.05966	6.2
161.13280	1.1
162.72739	0.9
163.03912	6.6
163.07541	16.0
163.11095	1.0
169.06467	28.8
170.07079	1.1
171.11722	1.3
173.09578	1.5
175.07535	100.0
176.07874	2.6
177.09102	0.9
181.04881	1.4
186.06746	3.7
187.07530	4.0
188.08185	1.5
189.07385	0.9
189.09058	12.0
190.07861	1.1
191.03319	1.3
193.08589	1.6
201.09113	11.3
201.10878	1.5
201.12813	0.8
205.10138	1.9
209.04337	1.2
215.08443	1.0
218.07207	1.9
229.12202	0.9
233.09584	6.1
235.07472	1.0
244.91356	0.9
250.06169	1.2
251.07019	1.0
260.08450	0.9
261.09082	4.1
261.14783	1.3
263.07028	0.9
265.08484	2.1
265.12140	3.1
267.10092	1.0
269.07996	0.8
278.09473	1.5
279.10010	1.2
289.14252	1.8
293.08270	1.8
293.11639	5.6
294.12195	1.2
297.07516	7.1
298.07623	1.0
307.22726	1.3
325.03912	1.2
325.07086	36.4
325.11212	3.1
325.14279	60.6
326.07291	3.8
326.11014	1.1
326.14661	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	325.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75718	0.6
53.03926	1.8
55.01852	1.8
55.25174	0.5
57.03421	2.4
61.02907	0.8
68.94503	0.4
69.03420	14.8
70.06550	0.5
70.88426	1.6
70.88788	0.4
71.01355	0.6
71.04985	4.9
73.02901	0.7
81.03407	17.3
91.05454	1.6
99.04436	7.2
103.05441	1.0
115.05441	0.7
116.04989	0.5
117.05470	2.2
117.06961	0.7
118.06513	5.3
119.08600	0.7
120.08054	0.5
129.06938	0.8
131.04878	1.6
132.21069	0.5
133.96510	0.4
137.05962	6.6
137.06972	0.6
145.06580	0.8
145.07600	6.0
147.08038	2.0
147.09151	8.0
153.24904	0.5
161.05933	1.3
162.07895	1.0
163.07474	1.1
163.08653	1.2
169.06520	2.2
173.07085	12.7
175.07489	6.9
175.08694	4.7
189.09018	0.7
191.08131	100.0
192.08482	4.0
200.51361	0.5
201.09222	0.7
205.09785	0.6
215.11800	0.7
223.76878	0.4
233.09261	1.9
236.08047	0.5
261.09109	0.5
271.10870	0.9
280.51135	0.6
289.11838	1.8
292.07288	0.6
293.11725	0.5
307.12836	34.6
308.13162	1.7
325.13971	27.5
326.14371	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1252
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38483	1.6
55.01863	5.4
56.05028	2.0
57.03423	7.7
61.02913	2.4
67.02943	1.5
69.03407	5.0
69.04540	1.8
70.06583	5.6
70.69845	3.0
70.70173	2.0
71.01334	3.2
73.02892	6.4
81.03410	4.0
84.04495	6.1
84.05605	3.2
84.08121	5.1
85.02898	11.1
87.04478	1.8
94.04082	1.9
96.04424	2.4
96.05598	6.3
97.02877	4.8
98.03533	8.6
106.04059	2.6
112.05085	3.5
115.03914	3.2
121.05106	21.6
122.03577	2.0
123.06657	5.2
124.05038	2.9
125.04594	4.0
125.06964	13.7
126.05386	14.7
127.03928	1.6
127.06120	4.3
133.04977	5.4
136.05190	3.0
136.06181	31.0
137.04581	1.8
138.07733	6.1
139.02078	2.5
140.01660	2.6
142.03218	1.9
148.06168	36.3
149.04579	7.9
150.07730	7.1
151.06139	8.2
151.07210	2.3
152.05618	2.3
153.06412	15.3
154.07219	4.1
160.06160	2.1
165.08832	14.3
166.07216	11.5
167.05551	1.7
175.07281	3.4
176.05670	19.9
177.08820	3.7
178.03453	1.8
178.07269	1.7
188.05803	4.0
190.07222	1.6
192.11162	1.7
193.08328	100.0
194.06667	1.9
206.06938	2.2
214.03883	2.1
222.05830	10.8
232.04865	3.4
266.08829	2.3
271.83359	1.4
297.13049	3.8
307.11533	3.6
325.12851	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	325.1387
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03919	1.7
55.01864	2.8
55.05487	0.6
56.02154	0.4
56.05016	0.5
57.03431	3.5
59.04984	0.7
61.02905	1.2
65.03926	0.5
67.05485	0.6
69.03423	16.4
69.07041	0.5
70.06593	2.8
71.01323	0.9
71.04984	4.7
71.72415	0.7
72.08163	2.4
73.02880	1.6
79.05462	0.8
81.03409	17.3
81.07024	1.2
83.04962	0.8
84.04465	1.3
84.07722	0.4
84.08131	3.8
85.02892	3.4
86.09687	1.1
87.04427	0.5
89.20823	0.4
91.05479	2.5
93.03370	1.6
93.07006	1.3
95.04942	0.5
95.08605	0.7
98.09642	0.5
99.04449	7.1
101.22557	0.4
102.05524	0.6
103.05446	0.4
103.14184	0.4
105.06980	0.8
107.04939	0.6
107.08588	1.0
108.08127	3.0
109.02831	0.7
109.06522	0.5
110.09690	0.4
111.04395	1.2
116.04994	0.7
116.07051	0.7
117.05486	2.5
117.06989	0.5
118.06530	5.4
119.04897	0.8
119.08555	0.8
119.53607	0.4
120.08064	1.3
121.02865	2.4
121.10106	0.5
129.10271	0.7
130.04987	4.4
131.04865	0.6
133.02806	1.0
133.10098	0.5
135.04387	0.9
136.07539	0.6
137.02336	0.4
137.05933	1.7
145.06447	1.1
145.07567	7.6
145.10008	0.6
147.04433	0.6
147.08043	0.7
147.09155	8.1
149.06058	0.4
150.12772	0.6
150.96785	0.4
151.03900	0.9
151.07556	0.5
152.14325	4.8
159.09164	0.5
161.02274	0.6
162.07840	0.8
163.03889	1.0
163.07440	0.6
163.08638	1.5
173.07117	10.7
174.96815	0.5
175.03847	0.6
175.07458	0.7
175.08693	6.8
175.11052	0.8
179.03337	1.6
187.08694	0.4
189.01866	0.6
191.08136	100.0
192.08537	2.9
196.16971	1.7
197.04446	0.9
201.05377	0.8
203.08353	0.6
203.10403	0.5
205.06487	0.5
205.09752	0.7
207.02884	2.2
213.10254	0.9
214.08376	0.4
215.11824	0.5
225.03917	1.1
233.09291	1.5
239.07028	0.6
250.06113	0.6
264.16022	0.8
267.06595	1.7
268.07144	2.3
271.10800	0.5
274.03342	0.5
279.06516	0.6
281.18555	4.5
289.11780	2.0
293.08304	0.4
295.05994	1.1
296.06705	2.5
297.07394	3.4
307.12836	30.7
308.13214	1.6
325.07071	26.0
325.13849	19.2
325.16870	0.8
325.21182	3.3
325.24814	0.8
326.07288	2.0
326.14359	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0915
Annotation	Skimmin
Peak:m/z	Relative Intensity
53.03946	0.4
55.01870	0.7
57.03434	1.5
59.95152	0.2
61.02918	2.6
63.86109	0.2
65.03936	0.5
67.05490	0.2
67.26270	0.2
69.03425	5.1
69.03784	0.4
69.07077	0.2
70.06582	0.8
71.01345	0.2
71.04996	0.5
71.73629	0.2
71.73978	0.2
72.08153	0.4
73.02902	1.1
79.05487	0.3
81.03416	1.8
81.07056	0.2
84.04504	0.9
84.08157	0.4
85.02899	29.2
86.09681	0.3
87.04462	0.6
91.03947	1.9
91.05473	6.0
91.98325	0.2
95.04972	0.4
96.04456	0.2
97.02885	5.8
98.06042	0.2
99.04449	1.1
101.02381	0.3
103.03950	0.4
107.04946	9.8
109.02872	2.5
112.08684	0.2
115.03939	0.2
117.06992	0.2
119.04934	7.6
120.08102	0.2
127.03904	6.3
133.02908	0.2
135.04399	0.8
135.08046	0.2
136.07561	1.6
137.05998	1.3
141.06999	0.2
145.04950	9.2
146.61716	0.2
147.04407	0.5
153.01813	0.4
162.09077	0.3
163.03888	100.0
164.04219	1.5
175.07507	0.3
179.07050	0.6
185.04291	0.2
187.91910	0.2
196.09621	0.9
307.16382	0.2
325.07245	0.7
325.09592	1.0
325.14224	0.4
325.17709	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0891
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.9
55.01846	2.1
56.05035	1.1
57.03411	2.8
60.21601	0.8
61.02908	5.3
69.03422	10.6
69.07043	0.9
69.74456	2.5
69.74873	4.1
70.06586	7.8
71.04958	2.4
72.08139	2.8
73.02900	2.5
81.03417	4.9
82.95874	0.9
84.04473	1.8
84.08128	7.8
85.02896	57.2
86.09679	3.5
87.04447	1.7
87.24291	0.9
91.03936	2.4
91.05455	3.3
97.02880	12.5
98.21579	1.0
99.04439	2.7
107.04951	0.8
109.02861	4.2
110.07132	2.6
116.07101	1.4
117.88317	0.9
119.04911	2.1
120.08047	1.5
127.03886	11.5
129.10237	2.7
131.04829	1.0
133.02832	2.1
137.05974	4.2
145.04938	13.9
147.06323	1.0
147.07988	0.9
150.06766	1.5
162.02840	1.6
163.03654	38.5
163.05972	2.7
163.07332	1.0
169.04733	1.1
175.07578	3.9
185.04181	16.7
186.02994	0.9
191.06981	1.5
201.05412	1.0
203.05295	5.1
206.12341	0.9
221.05075	2.0
241.04558	0.9
258.05167	1.0
265.08679	1.8
281.10010	2.3
293.08185	1.5
307.09735	2.0
325.08896	100.0
326.09198	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	324.2894
Annotation	Linoleamide MEA
Peak:m/z	Relative Intensity
51.75327	0.5
53.03933	1.0
55.01886	0.7
55.05515	7.0
56.35542	0.6
57.07074	1.7
58.35830	0.6
62.06088	100.0
63.06429	0.9
65.03921	0.9
67.05502	18.1
69.07066	6.9
70.02957	1.1
79.05490	4.7
81.07056	18.2
82.07400	0.6
83.04996	0.8
83.08620	3.5
91.05469	2.7
93.07047	4.5
95.08607	13.8
97.06576	0.9
97.10188	1.1
98.06046	0.8
105.07050	1.8
107.08616	2.3
109.10163	6.3
111.08035	0.7
119.08607	2.1
121.10166	2.1
123.11729	2.4
128.19467	0.5
133.10162	1.9
135.11658	0.9
137.13234	0.7
147.11711	1.0
149.13316	1.0
155.21800	0.7
161.13266	1.2
163.14912	0.7
174.54782	0.6
234.08232	0.5
245.22760	2.4
262.10297	0.5
263.23846	1.2
295.09500	0.6
306.27933	3.2
307.26199	2.6
324.28964	11.0
325.07660	0.6
325.25555	0.9
325.29251	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.2894
Annotation	Linoleamide MEA
Peak:m/z	Relative Intensity
53.03946	0.4
55.05508	5.4
56.18456	0.3
57.07072	1.7
60.04533	0.5
62.06082	100.0
63.06417	0.4
65.03923	0.4
66.07938	0.3
67.05498	16.7
69.07063	5.7
69.47495	0.3
70.02944	0.6
70.36127	1.5
71.08620	0.8
79.05490	3.4
81.07048	16.9
82.07399	0.4
83.04982	0.5
83.08604	2.9
91.05471	2.7
93.07038	4.9
95.04939	0.4
95.08594	13.2
96.08922	0.3
97.06525	1.0
97.10165	1.8
98.06008	0.6
99.04429	0.4
99.08092	0.3
102.83633	0.3
105.07034	1.9
107.08570	2.4
109.10149	5.0
111.08096	0.4
111.11712	0.4
119.08607	1.6
119.77142	0.3
121.10128	2.2
123.11702	2.3
128.07063	0.3
130.08658	0.5
133.10120	1.7
135.11703	0.9
137.13257	0.6
144.10251	0.4
147.11705	1.2
149.13271	0.9
161.13306	1.5
163.14804	0.8
165.16350	0.6
175.14827	0.5
185.18811	0.3
200.16405	0.4
245.22682	2.0
263.23746	1.0
269.24261	0.3
270.33536	0.3
281.10751	0.3
306.27899	3.2
306.68585	0.4
307.26160	2.7
324.28949	12.4
325.29279	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.2894
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	6.2
62.06083	100.0
67.05499	21.0
67.11065	1.3
69.07071	8.3
69.72668	11.5
79.05473	4.0
81.07049	18.9
81.17713	1.6
83.08626	3.9
91.05476	4.5
93.07023	3.0
95.08585	13.8
98.20824	3.5
98.21471	3.3
105.07003	2.9
107.08593	3.3
109.10139	5.5
115.62996	1.5
119.08558	2.6
121.10117	1.4
123.11699	2.7
135.04309	1.3
135.11757	1.3
137.05913	2.3
143.08563	2.6
149.06009	2.5
149.13304	1.7
306.27963	2.4
307.26309	22.1
312.62878	1.6
324.29019	13.0
324.32355	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	324.2167
Annotation	(-)-Jasmonoyl-L-isoleucine
Peak:m/z	Relative Intensity
55.01873	0.9
55.05508	1.6
57.07073	0.6
57.66245	0.4
57.90938	0.4
65.03934	0.6
67.05503	4.6
68.49884	0.4
69.07064	9.2
70.86063	1.5
71.04964	0.6
74.02412	0.6
79.05475	4.2
81.03410	1.3
81.07050	9.0
83.04969	3.5
83.08625	0.9
86.09698	100.0
87.10020	1.3
91.05473	9.7
93.07035	12.4
95.04951	2.5
95.08588	3.0
97.06524	0.9
97.10157	0.6
105.07017	14.9
106.07299	0.5
107.04942	0.8
107.08588	3.9
107.47285	0.4
109.06504	8.8
109.10148	1.8
111.04458	0.6
111.08064	2.9
115.05454	0.4
117.06966	0.8
118.55421	0.4
119.08587	4.4
121.06499	1.0
121.10145	1.4
123.08066	1.4
123.11697	0.8
128.10704	4.8
129.07011	1.0
131.08553	4.5
132.10193	30.0
133.06503	1.9
133.10114	16.4
133.11125	0.5
135.08017	0.8
137.05914	2.1
138.06290	1.7
143.08342	0.5
145.10141	0.5
147.08073	0.6
147.11678	12.2
149.09596	1.9
149.13228	1.1
151.07524	3.1
151.11169	40.2
152.11571	1.0
156.10176	1.0
157.74902	0.5
165.12712	1.7
167.14488	0.5
175.11147	2.8
192.13840	0.6
193.12267	4.0
196.85226	0.5
207.13753	0.5
210.14877	0.9
213.38715	0.4
222.14815	0.9
250.15198	0.8
260.20120	7.4
263.16461	0.7
266.71725	0.4
278.21136	26.1
279.21481	1.3
289.17841	0.8
306.20581	5.0
307.15378	0.9
324.17963	1.1
324.21655	14.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.1075
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.1
55.41473	0.5
56.05030	0.8
57.03426	2.6
60.04518	3.2
60.42594	0.4
61.02907	1.7
66.59602	0.4
68.04987	0.5
69.03412	1.8
70.06589	4.5
71.01340	0.8
71.26910	1.3
72.08159	4.1
73.02912	6.8
74.06039	0.5
81.03455	0.6
81.07047	0.5
84.04475	2.0
84.08131	4.1
85.02880	2.6
86.09686	3.8
91.05466	1.1
97.02887	4.6
98.21176	0.7
103.05524	0.5
110.07157	1.7
112.08742	0.8
113.07104	0.9
115.03941	2.5
115.08740	0.5
118.06530	0.7
120.08093	0.8
128.04970	3.3
129.10284	2.4
130.06537	1.4
130.08621	0.6
132.04443	14.7
133.04938	1.7
136.07582	0.5
137.06021	0.6
141.08696	0.4
143.08469	0.8
146.05994	100.0
147.06316	3.1
157.06120	1.0
158.06046	1.0
160.07568	0.6
163.03674	2.9
168.08112	0.6
170.05994	0.9
172.07626	0.6
174.05498	15.3
178.66003	0.6
183.11743	0.7
184.07574	0.5
185.04227	1.6
186.05438	0.9
188.07048	3.0
192.06535	9.1
196.07600	1.9
199.67336	0.6
200.07047	0.6
201.12814	0.5
203.05156	0.6
204.06544	0.6
212.07080	1.3
216.06506	1.3
221.51561	0.5
224.07097	0.6
229.12227	0.7
242.08145	2.0
246.07698	0.7
260.95020	0.6
288.08609	1.0
306.09708	3.5
324.10620	2.5
325.08871	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	324.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	0.8
57.03434	1.4
65.03934	2.3
67.05528	0.3
69.07046	0.4
70.32797	0.8
70.33211	0.5
79.05484	0.9
81.07043	2.3
91.05472	100.0
92.05784	1.4
93.07051	0.5
95.04926	0.3
97.06512	0.3
97.10139	0.4
98.97535	0.3
103.08189	0.2
105.07004	0.3
105.67476	0.3
109.10129	0.4
116.07331	0.2
148.06163	2.0
169.31763	0.2
205.10878	0.3
226.10855	31.1
227.11160	0.8
280.15546	2.4
286.62634	0.2
324.18161	71.3
325.18405	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	324.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	0.4
55.05508	2.0
57.03429	2.2
65.03934	2.2
66.06828	0.2
67.05489	0.9
67.13045	0.2
69.07055	0.7
70.01717	1.5
79.05495	1.2
81.07037	2.8
82.07422	0.3
83.08613	0.9
91.05471	100.0
92.05799	1.5
93.07038	0.9
95.08581	1.2
96.08948	0.4
97.06504	0.3
97.10163	1.0
105.07018	0.9
107.08566	0.6
109.06507	0.5
109.10161	0.9
110.10502	0.3
117.07007	0.4
119.01081	0.3
119.08566	0.6
123.08079	1.0
125.09622	0.5
131.08530	0.4
132.31761	0.2
135.08018	0.3
135.93790	0.2
137.09575	0.6
143.08559	0.3
145.10095	0.3
147.11774	0.3
148.06160	2.2
149.09554	0.3
151.07516	0.6
157.10132	0.3
159.08052	0.3
173.09677	0.3
189.11212	0.4
209.08209	0.6
226.10851	27.6
227.11174	0.8
237.18529	0.3
239.16333	0.3
261.18570	0.4
263.16492	1.5
280.15549	3.1
281.17520	0.4
289.17960	0.5
324.18155	66.9
325.10767	0.3
325.18466	2.8
346.45584	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.1074
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81622	0.3
55.01851	0.8
57.03417	1.0
61.02906	0.6
69.03420	3.4
69.78655	1.2
69.79073	0.5
70.06577	0.8
71.01350	0.4
72.08131	0.4
73.02906	1.0
77.03954	0.3
78.83923	0.3
81.03407	0.7
81.07030	0.3
82.56027	0.3
84.08110	0.7
85.02898	4.4
86.09685	0.7
91.05463	1.1
95.04927	0.4
97.02885	8.9
105.03370	0.2
107.93016	0.3
109.02866	0.3
115.03915	3.2
116.78051	0.3
118.06524	1.2
120.08114	0.3
122.98129	0.3
127.03889	0.5
128.04918	3.0
129.10175	0.7
130.06525	2.2
132.04439	13.0
132.08115	0.5
133.02840	2.3
133.04939	0.3
135.04359	0.3
137.05927	0.7
144.08073	0.4
144.54005	0.3
145.05151	0.7
146.05992	100.0
147.06361	2.3
149.05942	0.4
150.06682	0.3
157.05234	0.3
158.06009	1.4
160.07582	0.3
168.08076	0.5
170.05975	1.4
172.07536	1.0
174.05492	15.4
175.05959	0.5
176.07021	0.4
178.83934	0.3
184.07579	0.8
186.05533	0.8
188.07072	1.2
192.06544	5.1
193.06743	0.3
196.07655	1.3
201.05447	0.9
204.06462	0.8
205.06477	0.7
212.07062	0.8
214.08644	0.4
216.06528	0.9
224.06934	0.5
228.06578	0.3
230.07988	0.3
233.05884	0.7
237.09125	0.4
242.08092	2.9
246.07642	0.8
252.06461	0.5
258.07614	0.8
260.09070	0.3
265.08588	0.6
270.07642	0.8
288.08585	1.8
292.07126	0.6
292.25558	0.3
293.08148	0.7
306.09702	5.8
307.09628	1.0
324.10742	8.9
325.10742	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.1074
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	0.6
57.03426	0.8
58.98115	0.3
61.02925	0.7
65.93030	0.2
68.90433	0.2
69.03426	3.4
70.06583	0.5
71.01324	0.3
71.74689	0.6
72.08147	0.3
73.02891	1.1
85.02896	4.9
86.09692	0.5
91.05453	0.6
97.02883	8.4
98.53552	0.2
98.54382	0.2
98.87620	0.2
105.03336	0.3
115.03916	4.0
117.05767	0.4
118.06528	1.1
127.03897	0.6
128.04933	2.7
130.06516	2.0
132.04442	13.0
133.02829	0.3
133.04910	0.8
134.06027	0.6
144.08083	0.8
145.05020	0.7
146.05992	100.0
147.06358	2.7
156.04376	0.3
156.08138	0.4
158.06049	1.4
160.07565	0.3
168.08020	0.6
170.06001	1.2
172.07530	1.0
174.05498	14.9
175.05997	0.6
176.07069	0.4
184.07625	0.9
186.05540	1.1
188.07065	0.9
192.06548	5.7
193.72711	0.2
196.07590	1.7
198.05286	0.3
200.07077	0.6
204.06595	0.6
212.07065	1.0
214.08546	0.3
215.01894	0.3
216.06511	0.9
218.08234	0.4
224.07079	0.4
230.08212	0.4
242.08116	2.3
246.07520	0.9
258.07581	0.7
260.09109	0.6
264.08664	0.4
270.07596	0.5
276.91904	0.3
288.08624	1.6
306.09698	5.5
324.10748	9.8
325.10922	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2577
Annotation	12S-HETrE
Peak:m/z	Relative Intensity
53.03928	4.6
55.01852	5.5
55.05278	2.2
55.05505	32.7
57.03452	2.6
57.07082	12.0
59.04984	3.8
67.05496	33.8
69.03417	7.7
69.06695	2.3
69.07065	45.4
69.69386	5.0
69.69802	13.4
70.06559	3.1
71.04976	6.9
71.08613	3.8
77.37105	1.9
79.05481	23.9
81.03413	3.5
81.07050	100.0
82.07369	2.7
82.71560	2.0
83.04971	14.6
83.08609	21.5
84.08140	4.0
85.06526	9.2
86.09691	3.1
91.05471	24.3
93.07035	54.8
95.04945	16.5
95.08601	99.2
97.05974	2.5
97.06521	16.2
97.10155	18.0
99.04436	2.1
99.08077	3.2
105.07023	30.6
106.07288	2.3
107.04955	4.4
107.07920	3.6
107.08591	50.7
108.08941	2.0
109.06478	10.9
109.10150	54.0
111.08051	14.7
111.11694	5.5
117.06963	4.0
118.12695	2.1
119.08585	30.5
120.08083	8.3
121.06470	3.4
121.10139	38.7
123.08041	7.2
123.11699	29.1
125.09634	15.5
125.77533	1.9
126.09956	2.6
127.07558	2.6
129.06950	3.0
131.08566	5.5
133.06433	3.0
133.10135	37.1
135.07965	2.8
135.11678	28.0
137.05981	8.4
137.09592	9.2
137.13246	8.8
139.07481	2.1
139.11194	12.3
143.08556	2.2
145.06445	2.4
145.10080	9.0
147.11679	18.3
148.07529	2.5
149.05948	7.6
149.09523	2.9
149.13260	30.2
151.11142	6.1
151.14746	2.3
153.12651	3.2
157.10118	4.1
157.12228	3.6
159.11688	8.4
161.05991	7.0
161.09576	3.4
161.13248	14.1
163.11130	3.8
163.14780	8.6
165.09152	4.1
165.12735	7.5
165.16388	5.0
169.10017	2.7
173.13240	4.2
175.11142	2.5
175.14771	7.4
177.12700	2.6
177.16382	6.4
179.10779	2.3
183.11621	3.0
187.14801	4.0
189.16425	11.9
191.14267	3.2
191.17885	2.9
193.15851	2.4
197.11665	3.3
201.16302	2.4
203.08521	4.5
213.16399	4.0
217.12102	2.7
231.08069	6.0
248.08324	3.0
259.07422	2.3
259.24133	6.2
263.10443	3.2
269.22598	4.9
275.23889	2.4
277.25278	14.2
287.23633	6.6
291.10138	10.1
293.24796	4.3
305.24744	31.0
305.69873	2.6
323.05545	4.1
323.09158	4.9
323.12714	12.4
323.19043	3.1
323.25882	20.5
324.10617	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	323.2577
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.5
55.01599	2.0
55.01864	36.1
55.05506	22.3
57.07067	7.0
61.84395	1.2
62.34695	1.3
67.05497	32.0
69.03415	1.2
69.07063	15.4
70.28032	5.7
71.04991	2.2
71.08607	3.5
73.93099	1.3
79.05484	17.8
81.03416	2.3
81.07047	40.6
81.75352	1.1
83.04969	12.1
83.08605	13.1
85.06539	1.7
85.10174	13.1
91.05468	21.2
91.44865	1.4
93.07030	19.0
93.75735	1.1
95.04950	8.9
95.08596	26.3
97.06531	12.6
97.10155	5.8
98.21437	1.1
98.21620	1.1
105.01234	1.3
105.07034	15.0
107.04944	4.5
107.08588	13.9
109.06507	6.9
109.10153	13.6
111.07304	2.4
111.08070	42.4
113.05967	1.2
113.09641	15.8
117.06966	2.6
119.08567	11.4
121.06527	2.1
121.10133	11.8
123.08048	4.2
123.11714	7.5
125.09608	2.4
129.07008	2.6
131.08537	3.8
133.10120	13.4
135.07994	1.8
135.11668	9.4
137.09636	2.9
137.13257	2.5
139.11122	3.6
143.08572	1.5
145.10123	1.7
147.08034	3.0
147.11679	12.6
149.06049	1.4
149.09605	6.9
149.13234	6.5
151.11165	7.2
153.09094	1.5
153.12726	5.7
157.10031	2.1
159.11642	2.0
161.13235	5.6
163.11176	8.2
163.14822	1.8
165.12738	18.9
171.11725	2.0
173.13232	2.0
175.11197	2.2
175.14841	3.4
177.12749	1.7
179.10542	1.4
179.14308	5.4
189.12604	1.2
193.12173	1.5
193.15892	1.3
199.14891	1.8
217.19595	2.0
221.15323	2.0
231.20984	4.8
241.19550	2.8
247.00247	1.1
249.22075	10.4
255.36327	1.2
259.20526	7.1
260.21051	1.1
277.21606	100.0
278.21967	4.9
295.22595	9.1
323.25836	9.7
326.86169	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2577
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	3.9
55.01875	3.3
55.05507	15.3
55.65100	2.0
55.71368	2.2
57.07071	2.4
67.05498	35.0
69.07057	11.3
70.89046	6.9
71.05000	2.1
71.08623	39.8
76.19386	1.7
79.05483	38.1
81.03407	5.4
81.07046	39.6
83.04960	9.2
83.08617	9.2
85.06528	3.1
91.05472	22.1
93.07034	49.5
95.04960	8.5
95.08595	31.9
96.75823	1.8
97.06528	8.6
97.10152	4.2
99.08083	36.6
105.07016	14.4
107.05001	4.5
107.08585	26.3
109.06532	2.6
109.10120	9.4
111.08070	2.7
113.40191	2.1
116.77119	2.0
117.06965	2.4
119.08582	12.9
119.23853	1.8
121.10136	23.1
122.62932	1.9
131.08566	5.0
133.10115	9.3
135.11671	32.6
137.09584	3.9
139.11237	2.1
141.09097	2.5
145.10143	5.4
147.11682	4.3
149.13235	9.9
151.11148	14.7
159.11670	3.0
161.13220	10.1
163.11188	7.5
177.12767	3.7
179.14293	100.0
185.13272	2.4
195.13676	2.2
235.16811	4.3
241.19594	2.2
259.20621	4.4
277.21613	43.8
293.75113	2.1
323.25494	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2579
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	6.8
53.43346	2.4
55.01866	16.7
55.05273	3.6
55.05511	45.5
57.03425	4.0
57.07067	8.6
65.70570	2.2
67.05505	81.5
69.03429	6.7
69.07063	38.1
69.36063	2.4
71.04974	6.1
71.08629	28.2
71.64436	3.6
74.33975	2.2
79.05494	63.0
81.03414	7.5
81.07051	86.6
83.04984	21.0
83.08606	23.0
85.06532	6.9
85.10167	3.0
91.05477	49.6
93.07041	76.1
95.04971	32.5
95.08603	62.8
96.04456	3.1
97.06519	20.6
97.10155	10.2
99.08096	25.2
105.07030	43.0
107.04962	8.5
107.08595	48.8
109.06534	13.7
109.10149	34.0
111.04415	2.9
111.08076	12.5
113.09634	4.1
117.06996	11.1
119.04897	3.7
119.08575	28.1
121.06487	9.0
121.10130	27.5
123.08068	12.1
123.11716	8.0
125.06005	3.0
125.09637	13.1
129.07001	8.4
131.08545	15.6
133.06447	7.3
133.10129	49.5
135.07996	6.1
135.11673	23.0
137.09608	6.1
137.13254	4.7
139.07523	6.0
139.11185	4.9
140.32466	2.9
143.08585	7.9
145.10127	16.5
147.08070	4.8
147.11691	20.0
149.05966	7.2
149.09610	9.1
149.13284	9.0
151.07576	3.5
151.11177	36.5
153.09106	3.8
153.12750	5.0
157.10118	8.5
159.11681	9.0
161.09589	7.0
161.13245	17.7
163.11197	10.0
163.14853	4.7
165.09113	2.8
165.12791	7.6
167.10686	5.7
171.11697	9.8
173.13206	4.0
175.11183	7.7
175.14824	8.4
177.12762	3.9
179.10692	6.2
179.14328	11.2
183.13792	4.9
185.13226	8.6
187.11208	2.9
189.12735	5.2
193.12215	2.9
193.15816	3.9
201.08939	2.9
203.14325	3.8
207.13834	3.0
221.15398	5.7
229.14247	2.9
231.21091	3.2
235.20622	2.5
241.19518	7.6
245.19035	4.1
249.22104	7.2
259.20535	16.5
263.19974	6.9
273.18484	14.4
277.21613	100.0
278.21909	3.0
291.19479	25.4
292.19714	2.6
295.22632	9.9
305.21204	3.8
305.24539	4.0
323.22131	11.9
323.25772	25.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2576
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.3
55.01860	4.1
55.05505	19.6
57.03426	3.3
57.07066	43.1
62.06071	2.5
67.05492	27.9
69.07058	15.2
69.66406	1.5
69.66711	13.3
71.04990	3.5
71.08613	3.4
79.05480	22.8
81.03417	11.0
81.07047	33.6
83.04971	11.6
83.08625	8.9
85.10172	70.2
85.10690	3.6
91.05473	28.8
93.07032	23.5
95.04948	15.4
95.08596	27.6
97.06501	4.9
97.10149	5.1
99.08080	3.1
105.07010	19.0
107.04949	23.6
107.08585	12.3
109.06496	4.5
109.10122	8.9
111.08072	4.4
113.09629	100.0
114.09992	2.3
117.07013	4.0
119.08574	10.3
121.06397	1.9
121.10145	10.5
123.08056	5.1
123.11673	3.1
125.09597	2.1
127.11189	6.6
129.06973	6.0
131.08537	9.1
133.06470	1.8
133.10065	7.7
135.08076	2.7
135.11684	2.9
140.95277	1.6
143.08519	4.4
145.10110	3.8
147.08012	2.6
147.11670	13.4
149.05984	2.7
149.09604	25.3
149.13210	3.1
151.11162	5.6
153.12740	1.8
155.10582	1.5
157.10136	5.1
161.09683	2.2
161.13261	6.1
163.11163	9.4
163.14801	2.8
165.12730	77.8
166.12979	1.7
167.14267	2.8
171.11705	2.8
175.11218	9.4
175.14752	3.0
179.14214	7.2
185.13409	1.8
189.12729	2.0
193.16011	2.0
207.13820	1.8
215.17801	1.7
217.19533	1.8
231.21115	3.7
241.19533	5.4
249.22090	2.6
259.20511	9.8
277.21597	57.5
278.21878	2.7
291.10086	1.8
301.31888	1.6
305.24780	1.8
323.25830	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	323.2214
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15237	6.5
53.03946	9.4
55.01858	16.1
55.05509	40.3
57.03418	7.1
61.20546	6.4
66.37087	6.5
67.05501	60.7
69.07063	32.3
69.29554	6.8
69.87495	5.9
71.05004	6.4
71.76385	12.1
78.02143	6.6
78.65697	5.6
79.05474	39.4
81.07055	100.0
83.01328	6.7
83.04964	13.8
83.08575	14.2
91.05478	64.1
93.07038	60.3
95.04934	18.3
95.08588	50.8
97.06501	12.2
97.10175	9.9
105.07024	38.3
107.04933	11.8
107.08595	47.0
109.06456	16.6
109.10149	45.3
111.04424	9.5
111.08064	19.0
117.07001	13.5
119.04915	9.6
119.08565	23.9
121.06427	12.2
121.10133	19.6
123.11683	8.7
129.06998	7.9
131.08617	16.6
133.06433	11.8
133.10138	51.5
135.04443	12.5
135.08012	9.4
135.11690	18.8
135.47241	8.0
139.07538	12.0
143.08536	16.2
145.10095	14.9
146.51085	7.8
147.08072	13.3
147.11624	10.8
149.05956	27.2
151.11154	48.2
157.10112	12.2
159.11595	8.1
161.09572	16.2
171.11667	17.8
175.11179	7.6
179.10686	14.0
183.13785	12.8
189.12695	8.2
214.76773	6.3
245.19099	13.9
255.17448	7.1
263.20016	22.9
273.18387	44.1
277.21530	8.3
279.54547	6.7
291.19501	84.0
323.22092	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	323.2578
Annotation	15-OxoEDE
Peak:m/z	Relative Intensity
50.32985	2.4
53.03931	6.6
55.01855	12.8
55.05507	33.7
57.03436	7.0
57.07058	9.1
57.29988	2.6
59.04972	2.8
62.06057	2.8
62.09329	2.7
65.03931	4.4
66.04728	2.5
67.05495	69.0
69.07059	32.6
69.66418	25.7
71.04974	4.5
71.08626	35.6
79.05486	55.4
79.06260	2.9
81.03403	9.8
81.07049	77.6
82.07383	3.6
83.04984	19.1
83.08622	15.8
85.06531	7.6
91.04996	4.0
91.05476	41.4
93.06501	5.1
93.07037	60.2
95.04956	33.2
95.08601	55.5
96.04462	6.4
96.08855	2.6
97.02865	3.2
97.06512	13.8
97.10148	11.0
99.08079	22.4
105.07015	38.6
107.04923	8.7
107.08575	35.0
109.06511	10.2
109.10142	22.0
111.08056	12.5
113.09598	2.8
113.87753	2.7
117.07003	7.4
119.08567	29.5
121.06474	8.5
121.10134	31.1
123.08046	10.6
123.11693	11.7
125.09628	7.3
125.47256	2.8
129.06989	8.7
131.08580	14.4
133.10117	29.7
135.04352	4.8
135.08058	6.3
135.11707	23.8
137.09656	4.4
137.13185	4.9
139.07533	4.6
139.11136	4.0
143.08536	6.7
145.10071	10.2
147.08022	5.8
147.11667	23.7
149.05968	9.8
149.09633	6.5
149.13257	10.7
151.11185	31.7
153.12712	4.1
157.10123	6.8
159.11713	7.7
161.09560	5.7
161.13249	16.7
163.11166	12.9
163.14793	4.8
163.74352	3.1
165.05432	4.5
165.12724	11.9
167.10699	3.7
171.11679	5.8
173.13226	4.3
175.11183	6.9
175.14793	5.1
177.12729	3.2
179.14336	14.0
183.13684	4.3
185.13205	5.8
189.12752	5.2
193.15862	5.4
203.14363	3.5
217.19501	4.7
231.21123	6.3
231.78322	3.0
241.19534	10.7
249.22090	6.5
259.20468	14.9
263.19986	3.3
267.13748	3.9
273.18402	5.9
277.21619	100.0
278.22067	3.6
291.19498	14.3
295.22696	10.1
305.24652	5.4
323.19760	4.6
323.25803	21.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2213
Annotation	Rapanone
Peak:m/z	Relative Intensity
50.72044	2.3
51.03846	2.2
53.03934	2.5
55.01868	18.1
55.05502	24.5
57.03429	25.4
57.07058	5.3
62.06088	5.1
63.29725	2.0
65.03919	3.2
67.05499	61.1
69.03398	3.8
69.07056	13.0
69.86394	4.3
69.86806	11.7
71.04984	6.7
79.05483	40.9
79.44056	2.2
81.03414	4.1
81.07046	70.7
82.76790	1.9
83.04972	26.8
83.08604	13.1
85.02893	5.5
85.06530	26.9
91.05466	25.8
93.07034	34.9
95.04956	38.7
95.08589	24.9
97.06522	9.7
97.10181	10.3
98.87100	2.4
99.04473	3.1
99.08064	3.2
103.05418	2.2
105.07020	22.9
107.04966	6.9
107.08583	27.4
109.06503	35.0
109.10162	15.2
111.04431	28.7
111.08060	10.9
113.05996	93.6
113.86676	2.4
115.05429	2.6
117.07015	14.1
119.08560	28.9
121.06483	8.1
121.10123	15.6
123.08024	11.1
125.09628	8.1
129.06979	4.5
131.08560	17.4
133.06474	3.7
133.10127	7.4
135.04453	3.0
135.08046	26.9
135.11691	12.0
137.13271	2.8
143.08571	11.5
145.10120	18.6
145.91176	2.1
147.06982	2.0
147.07986	10.5
147.11673	6.4
149.05965	7.9
149.09601	7.3
151.11121	2.2
153.12727	16.3
155.08545	4.4
157.10132	6.8
159.11665	4.5
161.09589	8.4
163.11180	19.5
165.09181	2.6
171.11678	4.3
173.09622	7.9
175.11249	4.4
181.12204	20.7
183.11852	2.7
185.13275	4.2
189.11195	6.2
191.10602	16.2
197.06320	16.0
201.09073	2.5
201.12753	2.4
209.11810	5.9
217.15952	6.1
223.13318	5.3
227.12735	24.9
249.14735	6.6
255.17206	3.2
273.18433	34.4
274.19025	2.4
277.20734	3.5
291.19498	100.0
292.19821	5.8
305.21161	5.8
323.25876	13.9
344.34998	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2215
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57763	2.4
53.03940	5.3
55.01876	18.3
55.05510	48.4
57.03428	8.2
57.07066	7.2
59.04983	3.7
65.03919	4.2
67.05502	88.7
69.03427	9.3
69.07065	39.7
70.78863	7.9
71.04982	9.6
71.08615	18.8
79.05491	67.8
81.03417	8.6
81.07050	100.0
82.07401	3.0
83.01360	2.7
83.04974	21.5
83.08614	23.0
85.02887	3.5
85.06534	11.6
91.05480	54.6
92.69749	2.5
93.07031	77.6
94.07379	3.4
95.04954	26.2
95.08602	54.2
97.06525	18.1
97.10169	11.8
99.08091	14.6
105.07027	54.4
107.04935	14.4
107.08592	46.6
109.06513	19.3
109.10144	45.8
111.04442	4.8
111.08052	15.1
117.07009	10.4
119.08572	26.6
121.06493	13.0
121.10131	29.8
123.04420	5.3
123.08060	11.0
123.11710	14.7
125.06003	3.4
125.09619	7.7
128.06189	3.0
129.06976	11.8
131.08556	16.2
133.06471	6.0
133.10115	62.1
135.04402	3.3
135.08090	8.6
135.11690	22.4
137.06009	4.7
137.09601	6.7
137.13200	3.2
139.07538	11.2
139.11203	5.6
143.08527	13.3
145.06445	3.3
145.10104	17.2
147.08044	10.0
147.11678	22.5
149.06006	8.5
149.09587	8.2
149.13237	6.8
151.07564	3.0
151.11176	43.0
153.12724	3.5
157.10114	7.1
159.08046	3.6
159.11681	10.0
161.09651	15.1
161.13191	12.9
163.11206	9.4
163.14763	3.6
165.09077	4.3
165.12782	10.1
169.10129	4.1
171.11661	7.1
173.09666	3.8
173.13333	4.5
175.11212	4.4
175.14783	4.3
177.09108	3.3
179.10699	8.6
179.14203	6.5
181.08496	3.7
183.13768	16.2
185.13269	7.2
189.12749	10.6
195.21329	2.6
199.11221	2.6
203.14397	3.1
207.13867	4.1
217.12248	5.0
221.15424	4.1
229.14302	5.7
231.21188	2.9
237.16609	3.6
241.19449	4.4
245.19017	11.2
249.22153	6.3
255.17421	3.0
259.20505	10.3
263.20065	16.4
273.18491	30.4
277.21609	55.4
291.19547	65.8
295.22638	3.4
305.21121	3.8
323.12704	3.3
323.22141	21.5
323.25775	18.9
331.12305	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	323.2036
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	5.1
55.01851	7.0
55.05281	2.4
55.05510	27.2
55.38914	2.2
57.03418	5.5
57.07070	2.1
58.99588	3.9
59.04972	2.4
61.01149	10.9
65.03920	3.1
67.05502	53.7
69.03416	4.2
69.07061	26.1
69.57626	5.0
69.58031	18.6
71.04948	9.0
71.08594	2.2
79.05486	49.8
81.03365	6.5
81.07048	100.0
83.04967	17.2
83.08604	13.3
85.06522	3.6
87.02679	16.3
89.04197	3.2
91.04935	3.9
91.05470	63.4
93.06520	3.9
93.07044	44.8
95.04945	9.5
95.08601	36.4
97.06498	6.8
97.10157	3.3
98.21392	5.0
99.08053	4.7
105.04596	2.3
105.07017	77.2
107.04957	10.6
107.08582	33.3
109.06493	11.6
109.10137	22.7
111.04430	3.9
111.08051	5.1
113.04190	2.8
115.05676	2.0
117.07005	17.8
119.08574	43.2
121.06489	10.9
121.10150	17.6
123.02681	2.1
123.08025	8.1
123.11703	11.1
125.04201	11.4
125.09563	3.3
126.04987	3.3
127.02117	22.0
128.06204	4.0
129.07208	9.0
131.08556	25.1
133.06468	4.5
133.09181	3.4
133.10129	50.4
135.04340	2.7
135.07994	5.3
135.11626	11.1
137.09575	6.1
139.05696	3.2
139.07520	3.5
141.03648	2.2
141.07014	3.1
143.08485	8.4
145.10120	19.3
147.08006	5.0
147.11673	22.7
149.05888	6.4
149.09564	7.4
149.13229	3.2
151.11172	20.6
153.07295	4.7
157.10095	6.5
159.11699	12.8
161.09637	5.2
161.13231	7.8
163.11163	7.1
165.12808	2.5
167.08817	7.3
169.10040	4.1
171.11705	11.0
173.13182	7.4
175.11171	3.3
175.14758	3.4
177.09084	2.2
177.12633	5.3
179.10678	6.3
181.10345	5.2
181.12021	2.1
183.13795	6.7
189.12662	4.0
193.12248	2.8
201.12622	2.6
205.12202	2.8
207.13644	5.6
229.19518	4.1
239.17897	3.7
245.18903	4.0
247.20473	3.9
251.29752	2.7
255.13904	3.7
257.18909	10.0
263.20004	5.1
273.18588	11.4
275.20032	70.0
291.19501	20.7
305.21136	2.6
315.20801	2.1
323.20270	81.1
323.25885	5.5
324.20419	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1276
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56461	1.1
55.01861	2.3
67.05492	1.8
70.06576	3.2
71.41062	2.4
75.09217	1.1
79.05481	2.9
81.07041	1.8
84.08128	2.7
86.09709	2.2
91.05471	4.3
91.49117	1.1
93.07031	1.3
95.04971	1.7
103.05441	3.9
104.08123	1.1
105.07018	15.7
107.08590	1.5
109.05051	1.0
109.06514	2.5
110.07088	1.8
115.05431	5.0
115.41759	1.1
118.04167	2.1
121.06502	1.8
122.03674	1.6
128.06244	1.5
131.04918	1.9
133.06494	7.3
135.04372	1.6
137.05972	23.6
146.03633	7.0
147.04408	1.4
147.98669	1.3
149.05994	6.6
159.08058	1.4
161.05966	77.8
162.06557	1.6
165.06964	2.2
167.04886	1.6
171.08130	1.7
175.07500	2.1
177.05461	1.0
179.08499	1.1
184.05173	2.9
189.06958	2.0
191.08614	6.2
192.09268	4.1
193.06427	1.4
199.07515	12.4
201.00636	1.0
201.09088	1.8
202.07768	25.9
203.08539	38.7
204.09137	2.5
205.06461	5.1
215.08569	2.2
218.07234	1.8
219.08012	13.2
220.08830	17.1
221.05991	1.4
221.09532	1.7
222.06662	1.6
230.07234	5.0
231.08032	64.1
232.08736	10.0
232.65863	1.0
233.09482	1.3
234.06700	1.5
235.07518	3.3
235.11057	2.8
237.09015	2.4
245.09528	2.7
247.07541	13.7
248.08295	30.0
249.08961	6.0
252.11647	1.1
258.06705	5.7
259.07516	47.3
260.08292	30.5
261.05496	1.1
261.08795	2.7
262.09750	2.3
263.06778	1.4
263.07327	1.4
263.10648	29.3
264.07672	1.6
264.10876	1.6
265.04990	2.0
265.08533	5.0
273.08963	1.7
274.09814	1.5
275.07037	6.3
276.07794	22.5
277.08429	7.2
278.05728	1.1
280.10898	1.7
290.09369	2.1
291.10141	100.0
292.10632	9.4
293.08115	6.7
295.09619	5.6
295.13071	2.8
308.10394	8.0
323.09280	4.6
323.12735	87.8
324.09647	1.6
324.13150	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	323.127
Annotation	4''-Deoxyterphenyllin
Peak:m/z	Relative Intensity
55.01848	1.6
55.05490	1.3
56.96535	1.0
66.59949	1.0
69.03362	0.9
69.07069	1.0
70.06564	3.1
71.40985	1.9
72.08146	1.0
79.05465	4.1
81.07021	3.6
84.08119	3.1
85.02914	1.4
86.09709	2.1
91.05469	6.0
94.04166	2.9
95.04980	1.3
95.08592	1.7
98.97549	2.4
103.05430	2.4
105.07013	9.2
107.04938	1.7
109.06492	4.0
115.05431	3.3
116.98617	1.6
117.06989	2.0
118.04168	1.2
119.04924	1.4
120.08127	1.6
122.03637	5.9
128.06209	3.4
131.00117	1.3
131.04904	3.5
131.08556	1.2
133.06502	5.4
135.04404	1.3
137.05963	61.8
139.05418	1.5
141.06982	3.1
143.08614	1.7
146.03609	5.9
147.04413	1.6
148.27499	1.0
149.05980	4.7
156.05629	2.0
161.05959	55.2
162.06465	1.1
165.07025	1.6
167.04910	2.2
171.08014	3.6
173.05972	1.0
175.07530	1.9
177.05449	1.0
178.07764	1.1
181.06505	1.9
183.08038	1.0
184.05205	3.9
189.06944	2.4
190.07777	1.6
191.08565	5.7
192.09302	3.4
199.07509	27.4
200.07817	1.5
201.09012	1.1
202.07732	29.0
203.08522	42.8
204.09097	2.7
205.06474	7.6
205.10010	1.8
206.07236	2.2
207.08066	1.6
208.10550	1.1
209.05876	1.3
213.06917	1.6
215.08588	2.1
217.10065	1.0
218.07350	2.3
219.07994	15.5
220.08813	15.6
221.05891	1.5
221.09546	2.3
229.06310	1.0
230.07187	4.9
231.08018	63.0
232.08730	11.3
233.05919	4.4
233.09636	1.5
234.06676	3.2
235.07434	3.2
235.11172	3.6
237.05403	1.6
237.09048	3.4
243.08043	2.2
245.05974	1.0
245.09712	2.4
247.07458	11.2
248.04585	1.5
248.08301	36.6
249.09050	5.5
250.06216	1.9
251.07034	1.1
252.07675	1.6
258.06631	4.5
259.07523	50.4
260.08243	17.4
261.08984	4.2
262.09845	2.8
262.96729	1.1
263.07394	1.5
263.10629	33.6
264.07761	1.1
264.11066	2.4
265.04944	3.7
265.08511	5.9
273.09109	1.8
275.06924	5.7
276.07755	25.1
277.08560	9.7
279.10214	1.3
280.07272	8.5
280.10651	2.0
290.09155	1.4
291.10114	88.9
292.10767	14.6
293.08054	6.4
295.09698	25.2
295.13144	4.7
296.09848	1.5
305.07816	0.9
305.11472	1.3
307.09384	1.6
308.10376	8.3
323.09576	3.6
323.12714	100.0
324.13120	5.2
326.62167	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1274
Annotation	4''-Deoxyterphenyllin
Peak:m/z	Relative Intensity
58.74100	1.2
58.88771	1.1
67.72579	1.2
69.67570	8.6
70.06571	1.3
79.05462	1.6
81.10132	1.4
82.83225	1.2
83.81738	1.2
91.05470	4.2
103.05447	3.7
105.07018	13.3
115.05408	6.2
118.04080	2.7
122.03625	4.3
130.04176	1.7
131.04933	3.2
133.06496	7.9
137.05962	49.4
144.13438	1.2
144.61763	1.3
146.03601	11.3
149.05977	2.8
150.42996	1.3
153.07074	1.7
161.05966	100.0
162.06334	3.0
171.08006	2.1
179.08600	1.7
184.05194	2.4
191.08627	6.0
199.07564	12.9
201.09175	1.5
202.07755	19.7
203.08527	38.2
204.09283	2.3
205.06477	3.0
213.07013	2.1
215.08635	1.7
219.08025	12.6
220.08813	15.2
221.09544	2.5
230.07205	4.1
231.08025	53.7
232.08809	8.9
233.06013	1.8
233.09473	2.9
234.06744	1.7
235.11159	3.4
237.08945	2.8
245.09549	2.5
246.79387	1.4
247.07527	9.4
248.08319	25.4
249.09091	3.4
258.06781	3.0
259.07538	41.2
260.08255	21.2
261.08984	2.3
263.10648	30.7
265.08551	5.1
273.08984	1.6
275.06934	4.6
276.07758	19.6
277.08514	5.7
288.97025	1.2
291.10144	92.0
292.10788	8.9
293.08047	4.8
295.13239	3.0
297.90472	1.3
307.09683	1.5
308.10468	6.6
323.09467	4.6
323.12738	98.9
324.13129	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1274
Annotation	Unknow
Peak:m/z	Relative Intensity
70.05217	3.5
70.05634	2.7
70.06561	1.3
79.05482	2.2
91.05465	3.6
94.04169	2.2
102.80557	1.0
103.05431	3.6
103.97769	1.0
105.07028	12.2
107.04932	1.0
109.06464	3.0
115.05419	4.9
118.04147	0.9
122.03633	5.0
124.07608	2.6
128.06268	1.5
131.04877	2.2
133.06476	8.4
136.07562	2.1
137.05968	55.1
139.05334	1.1
146.03621	12.2
146.06026	1.9
147.04355	1.6
149.05946	3.2
151.07486	1.1
161.05966	100.0
164.07027	4.0
164.44931	1.1
171.08018	2.1
175.07562	1.8
177.05453	1.8
178.07736	1.3
180.35051	0.9
182.08054	2.4
184.05168	3.4
188.59285	1.0
189.06956	1.1
190.07767	1.1
191.08522	4.6
192.09329	2.8
199.07524	17.8
200.07903	1.1
202.07751	24.3
203.08531	40.4
204.09160	1.9
205.06453	3.7
206.07162	1.4
213.06946	1.5
215.08408	1.6
218.07309	1.4
219.08000	13.1
220.08824	12.0
221.09525	2.6
229.06433	2.0
230.07220	4.7
231.08025	58.2
232.08714	10.7
233.05930	1.2
234.06744	1.9
235.07455	2.2
235.11174	2.5
237.09033	2.6
247.07544	9.4
248.08269	28.1
249.08958	3.1
258.06683	4.2
259.07510	42.2
260.08282	22.0
261.08969	2.9
262.09918	2.7
263.10657	28.7
264.11047	2.3
265.08560	3.7
273.09109	1.7
275.07077	6.0
275.09808	1.1
276.07788	22.3
277.08545	6.9
279.06711	1.5
279.10080	1.9
280.11023	2.5
290.09192	1.3
291.10132	81.6
292.10672	9.2
293.08109	7.5
295.10233	1.2
295.13260	4.6
298.59583	1.1
308.10495	6.0
323.09268	6.2
323.12720	93.0
324.13092	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	323.076
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	3.1
56.05028	1.3
57.03421	1.0
57.94120	0.9
63.88056	0.8
65.03938	1.7
65.61900	0.7
67.05502	1.1
69.03403	0.9
69.07037	1.7
70.06578	3.2
71.71861	2.0
71.72233	1.1
72.08134	2.5
73.02878	0.9
79.05474	1.2
81.03379	1.6
81.07060	2.0
84.04496	2.3
84.08128	4.3
85.02867	2.1
86.09677	2.5
91.05475	14.3
95.04945	1.6
102.05524	1.2
103.05426	1.4
104.44210	0.8
105.03370	3.1
105.07008	5.3
107.04939	11.7
110.07146	1.0
115.05435	1.6
116.07054	0.9
119.04929	27.8
123.04390	1.9
129.10223	1.8
131.04892	5.9
133.02840	7.7
133.06488	8.7
135.04402	3.5
136.07658	1.0
138.87793	0.9
145.06441	1.4
147.04396	100.0
148.04762	1.9
149.05968	6.4
149.07391	2.2
155.70850	0.8
159.04362	1.4
161.02316	6.6
161.05969	13.1
171.04364	4.1
171.07947	1.1
175.08673	1.4
176.07036	2.0
177.05475	2.0
179.03348	3.2
187.03885	5.1
187.07652	1.1
189.05438	16.2
189.10223	1.1
190.08435	1.1
199.03964	5.7
203.08122	3.3
205.04886	1.2
207.02757	1.2
217.04959	22.8
217.09663	2.9
234.96646	1.0
245.04446	1.1
245.09575	1.4
252.97964	1.4
263.05524	16.5
263.10162	8.4
273.08624	1.1
287.10278	1.2
291.09833	4.0
305.14493	1.1
318.95712	0.9
323.12256	11.0
323.15698	1.7
324.10413	1.2
335.59155	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.2738
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77748	0.7
55.01870	0.8
55.05507	11.2
56.05020	1.7
57.05773	1.0
57.07059	1.6
58.06586	1.7
60.04506	0.9
61.02871	0.7
62.06081	1.6
65.03907	1.2
67.05499	27.4
69.07059	11.2
69.95341	1.3
69.95754	3.2
70.06577	5.4
71.04970	1.2
79.05484	8.6
80.04997	1.0
81.07045	27.2
82.06566	5.1
82.20035	0.7
83.04952	1.5
83.08596	5.1
83.50955	0.8
84.08153	2.0
85.06553	1.0
86.09682	1.9
91.05463	4.2
93.07027	9.5
94.06539	2.2
95.04961	1.1
95.08595	20.3
96.08123	11.3
96.43570	0.8
97.10147	3.5
98.09671	1.1
100.11240	1.3
100.90704	0.8
105.07001	3.4
107.08567	5.7
108.08108	2.7
109.06464	1.4
109.10155	7.7
110.09676	1.7
110.10419	0.9
112.11272	1.1
119.08579	4.3
121.10122	4.2
122.09649	2.1
123.11677	3.4
126.12743	1.0
127.26983	0.9
131.08505	1.2
131.86070	0.7
133.10120	2.3
135.11632	3.9
137.09641	1.1
137.13235	2.0
138.12721	2.2
139.13525	1.6
140.14343	2.0
145.10072	1.0
147.11703	1.6
149.05965	1.4
149.13260	0.9
149.39207	0.8
152.14349	1.3
158.37347	0.8
158.45125	0.9
161.13202	1.7
163.11174	1.0
163.14799	1.4
164.14272	0.9
166.12213	1.4
166.15933	1.3
175.14778	0.9
180.17438	1.3
194.15398	1.1
206.15353	0.9
210.14873	0.9
243.21342	0.9
245.22643	0.8
263.23599	1.0
276.23203	1.8
278.24832	2.8
279.23193	2.5
294.24484	1.1
304.22690	8.9
304.26306	3.7
322.23941	5.6
322.27362	100.0
323.27597	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	323.0736
Annotation	Unknow
Peak:m/z	Relative Intensity
61.44646	4.9
71.18562	12.5
82.25406	5.2
94.93011	14.5
143.01869	8.0
150.21042	5.6
155.01917	5.1
161.02995	11.1
185.96741	4.7
203.04013	5.7
233.23257	5.8
245.25241	4.8
248.89656	15.5
323.07422	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.2738
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.7
55.01878	0.7
55.05504	4.0
57.07064	2.3
60.04514	1.5
62.06084	100.0
65.03921	0.5
66.70287	0.5
67.05499	16.5
69.07056	3.9
69.91343	3.5
71.08624	0.6
79.05485	9.5
81.07049	17.0
82.31518	0.6
83.08624	2.0
85.06544	0.9
85.10185	0.7
91.05476	4.5
93.07040	14.7
95.04965	0.9
95.08600	15.0
97.06553	0.8
97.10164	0.9
99.04436	0.6
99.08115	1.0
104.20685	0.6
105.07018	4.8
107.08588	8.5
109.10139	6.2
116.20901	0.6
117.07040	1.3
119.08591	1.8
121.10139	7.5
122.17865	0.5
123.11734	2.0
130.08632	0.7
131.08542	3.1
133.10173	2.1
135.11696	5.1
137.13297	1.1
140.03773	3.3
144.10219	1.2
145.10112	3.4
147.11754	1.3
149.09720	0.6
149.13213	2.6
151.14812	0.6
158.11807	0.9
159.11751	2.1
161.13324	1.2
163.14856	2.2
165.16554	0.6
172.13417	1.2
173.13333	0.8
175.14883	0.6
177.16458	2.5
186.14966	0.7
187.14865	0.8
200.16472	0.8
201.09114	0.7
214.17883	0.7
215.87459	0.6
224.38623	0.5
238.18045	0.8
243.21097	4.2
261.22107	5.1
304.26309	2.8
305.24918	1.9
322.27414	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	322.2738
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	4.9
62.06082	100.0
67.05505	17.5
69.07071	4.0
71.75368	5.1
79.05489	13.3
81.07027	18.7
91.05476	4.1
93.07018	13.8
95.04956	3.4
95.08605	15.6
99.07745	3.3
105.07050	3.4
107.08555	9.9
109.10156	5.7
119.49961	3.0
121.10146	5.0
122.90788	2.8
135.04427	3.5
135.11641	4.2
135.42036	2.8
149.06052	4.6
149.13295	3.0
151.02371	3.4
152.72281	2.6
155.92081	3.4
156.70638	2.9
158.69804	2.6
177.09029	2.7
251.83633	3.0
305.24655	13.3
322.27405	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	322.2738
Annotation	alpha-Linolenoyl Ethanolamide
Peak:m/z	Relative Intensity
50.24228	0.6
50.86148	0.7
51.60317	0.6
53.03960	0.8
55.01862	1.1
55.05513	3.9
57.07071	1.6
57.28959	0.7
57.43347	0.7
57.56006	0.6
60.04517	0.9
60.95638	0.7
62.06087	100.0
67.05502	18.5
69.07058	4.3
69.44323	5.4
69.44736	1.2
70.02953	0.8
71.08650	0.7
72.38956	0.6
79.05489	9.6
81.07052	18.3
82.07362	0.7
83.08617	2.1
87.18348	0.7
91.05461	5.0
93.07041	12.9
93.07590	1.1
93.36466	0.6
95.04978	1.6
95.08595	14.2
97.06519	1.3
97.10180	1.0
98.06041	1.0
98.20733	1.3
99.95427	0.6
105.06992	3.6
107.08583	7.4
108.08915	0.8
109.10143	7.7
117.07044	1.4
119.08559	3.7
121.10152	5.2
123.11708	2.4
126.32575	0.7
130.70139	0.7
131.08571	3.0
133.10181	2.2
135.11662	3.7
137.09535	0.9
137.13266	1.5
145.10161	2.2
147.11691	1.7
149.13277	2.0
159.11731	0.8
160.12047	0.7
161.13326	1.8
163.14836	1.8
173.13255	1.2
177.16464	1.2
184.13237	0.8
186.14871	0.7
214.14836	0.8
243.21181	2.9
261.22144	4.1
276.20486	2.7
304.26514	2.9
305.24835	1.5
322.23944	1.5
322.27386	11.5
323.27798	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.2009
Annotation	Croomine
Peak:m/z	Relative Intensity
50.97115	0.3
53.03951	0.3
55.05502	1.5
55.09635	0.3
56.05022	0.5
57.03423	0.4
67.05501	5.5
68.05019	2.7
69.07062	0.9
69.82290	2.1
70.06586	10.1
71.04980	1.4
73.09933	0.3
74.02419	0.3
79.05489	4.9
80.04990	1.1
81.06609	0.4
81.07047	4.5
83.04958	0.6
83.08599	0.6
85.02886	0.6
88.78313	0.3
91.05473	2.8
93.05787	0.9
93.07030	2.8
94.06584	1.8
95.04964	0.7
95.08602	2.3
96.08105	0.7
96.46642	0.3
100.07622	2.1
105.07009	1.6
106.06535	4.0
107.04932	0.4
107.07338	0.6
107.08569	1.3
108.08115	2.2
109.06512	0.5
109.10110	0.6
114.05510	3.7
115.05450	0.4
116.07085	0.3
117.06991	1.1
118.06519	0.7
119.07290	0.4
119.08559	0.8
120.07294	0.5
120.08099	5.3
120.08896	0.3
122.09647	0.8
128.07074	2.3
129.03354	0.3
129.06978	0.5
131.08543	1.1
132.08093	1.0
133.08885	0.8
133.10075	0.3
134.09636	11.0
134.29337	0.3
134.32291	0.3
135.10394	1.2
137.04729	0.5
140.07048	0.5
146.09607	1.4
147.10390	0.4
148.10062	0.6
148.11192	9.8
152.07079	0.8
152.10718	0.7
154.08569	1.0
160.11226	0.7
162.12743	0.7
163.03897	0.9
164.04222	0.6
164.07054	8.4
166.08598	1.0
169.59216	0.3
177.07866	0.5
178.08630	3.0
179.09328	1.0
180.10184	17.1
181.10532	0.3
192.10130	0.8
193.10941	0.9
194.08060	0.3
194.11725	1.2
200.84129	0.3
201.30716	0.3
230.19002	0.4
237.04073	0.4
237.11969	0.3
258.18536	2.1
265.08597	0.4
266.08920	3.3
274.18140	0.4
276.19531	8.6
293.07932	0.9
294.08411	8.9
295.08551	0.5
302.17477	2.0
304.19040	18.7
305.19366	0.5
322.07874	8.1
322.20102	100.0
323.08307	0.7
323.20407	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	322.1858
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09795	1.0
52.54569	1.1
53.03939	1.5
55.01858	1.5
56.05027	1.6
57.03439	5.1
61.02921	3.5
62.26323	0.9
62.60238	0.9
64.67489	1.1
69.03419	9.8
69.07062	2.6
70.06575	4.3
71.04193	1.9
71.04601	2.0
71.04975	1.8
72.08154	1.8
73.02905	2.0
79.05478	1.2
81.03407	3.4
81.07036	4.6
84.04487	2.2
84.08141	7.8
85.02897	22.2
85.06532	12.7
86.09695	14.7
87.04450	1.7
87.42318	0.9
91.03956	1.3
91.05465	1.3
97.02888	9.6
98.09676	10.5
99.04438	2.9
99.08078	16.3
102.09171	18.3
105.07025	1.1
109.02869	3.2
109.06532	1.4
112.32764	1.0
116.10724	28.8
117.48405	1.0
119.04930	2.7
120.08885	1.1
121.02859	6.6
127.03879	6.6
129.08549	1.0
130.05023	1.6
135.04408	1.4
136.07597	1.5
142.12267	10.6
144.13828	4.3
145.02814	3.0
145.04936	6.9
149.02316	1.4
149.06024	2.1
159.04520	1.4
160.13313	100.0
161.05972	1.1
161.13647	1.3
163.03897	2.0
163.06020	1.3
164.07108	1.6
165.01802	2.1
167.03384	2.8
177.05420	5.0
187.03925	2.0
189.01849	1.2
190.02676	1.7
205.04959	4.6
207.02811	1.5
219.08752	1.5
264.14383	5.7
267.04169	1.2
267.06500	7.3
279.06491	5.5
281.07913	1.7
283.05963	4.3
295.06100	2.8
295.09558	15.5
305.08084	4.5
307.06039	1.3
308.06747	8.0
322.08191	6.0
322.15186	1.9
322.18631	32.3
323.05505	10.0
323.09067	88.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.2011
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.7
55.01844	0.9
55.05502	2.6
56.05023	0.7
56.96564	0.5
57.03414	0.6
58.06599	0.4
67.05499	7.1
68.05014	3.4
69.03409	0.6
69.07057	2.0
70.06217	0.6
70.06586	11.4
71.04965	0.8
71.73394	0.6
71.73761	0.4
72.08131	0.9
73.49894	0.4
75.69257	0.4
79.05487	5.2
80.04988	1.6
80.05811	0.4
80.06244	0.8
81.03407	0.8
81.07052	6.1
82.06577	0.7
83.04974	1.1
83.08611	0.8
83.96088	0.3
84.04469	0.7
84.08118	1.0
85.02897	0.5
85.06535	0.6
91.05470	4.8
93.05756	1.4
93.07015	3.9
94.06543	1.1
95.04961	1.0
95.08610	3.5
97.06522	0.4
97.10151	0.7
98.09668	0.4
100.07621	2.7
100.11227	0.8
105.07021	4.3
106.06548	4.0
107.04927	0.5
107.07319	1.0
107.08562	2.4
108.08106	2.8
109.02871	0.5
109.06494	0.7
109.10136	1.5
114.05518	4.2
117.06998	1.5
118.06522	1.1
119.07338	0.6
119.08556	2.2
120.08096	5.5
121.06524	0.6
121.10110	1.4
122.09646	1.1
122.10466	0.4
123.11685	0.8
127.07563	0.5
128.06261	0.4
128.07062	2.4
129.07021	0.7
131.08534	2.0
132.08072	1.3
133.06480	0.6
133.08887	0.6
133.10110	2.1
134.09644	11.2
135.08034	0.6
135.10397	1.9
135.11623	0.5
136.11203	0.5
137.06000	0.4
141.11490	0.6
143.08508	0.7
145.06558	0.5
145.10117	0.8
146.09616	1.2
147.04370	0.6
147.11708	0.7
148.11186	10.5
149.05966	0.7
150.12733	1.0
151.03905	0.6
152.07106	1.0
152.10741	1.0
154.08589	1.3
159.11621	0.5
161.05995	0.8
161.09547	0.6
162.12708	0.9
163.11137	0.4
164.07062	10.1
165.07779	1.1
165.09061	0.4
166.08603	1.3
171.11592	0.8
177.07864	0.5
177.12599	0.4
178.08665	2.7
179.09366	0.9
180.10179	17.2
181.10385	0.4
182.15350	0.6
192.10162	0.5
193.10982	0.7
194.08154	1.0
194.11678	0.9
195.12497	0.6
203.08493	0.6
207.02888	0.6
210.14818	0.5
227.17421	0.5
230.18900	0.4
231.08119	0.8
238.13872	0.4
240.67480	0.4
255.08667	0.5
258.18503	1.8
259.07593	0.5
276.19556	10.0
291.10101	0.9
295.06146	0.6
302.17535	1.3
304.19022	18.8
305.19440	0.7
320.18723	0.4
322.20102	100.0
323.05588	3.3
323.09164	0.6
323.12363	0.8
323.15256	0.6
323.20499	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.1495
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75118	2.5
53.03931	4.2
55.01859	6.2
55.05496	8.0
56.05019	10.6
57.03429	12.1
67.05511	14.4
68.90834	2.7
69.03407	12.0
69.07048	9.6
69.36483	2.5
70.06561	7.0
71.04984	5.1
72.08157	5.8
75.84274	2.5
79.05489	33.3
81.03396	2.8
81.07050	54.1
83.04955	4.8
84.04482	10.0
85.02908	14.5
88.03976	2.4
90.03769	7.5
91.05482	19.5
93.03320	2.9
93.07039	16.8
95.01334	16.2
95.04969	12.9
95.08585	7.2
97.06525	20.4
98.20570	5.5
99.08062	4.0
105.07021	9.9
106.22427	2.8
107.04934	6.1
107.08585	9.9
109.02905	3.3
109.06511	26.7
109.10128	2.8
111.04420	3.7
113.02335	5.5
117.07015	7.4
118.03226	6.5
119.04930	6.6
119.08609	13.9
121.02820	3.2
121.06489	5.4
123.04461	3.1
125.02258	3.7
125.05981	7.9
127.05766	8.7
129.06987	3.5
130.04990	4.1
131.08551	6.9
133.10120	3.6
135.08067	6.7
137.05974	12.5
139.03880	12.0
139.07430	3.6
141.05429	3.1
141.11427	2.4
143.10762	2.7
144.06540	8.3
147.04378	4.2
147.08011	12.4
149.05995	5.2
150.12804	4.3
150.25333	2.6
153.01859	4.7
153.09105	3.6
154.02116	6.6
155.07024	4.8
161.05989	5.1
163.07515	12.5
165.09146	21.4
167.06993	5.2
167.50467	2.6
173.05943	3.5
173.36343	3.4
175.07603	4.7
180.10269	4.3
181.08524	5.5
183.10158	5.5
190.07118	13.9
191.07097	3.8
193.08577	26.8
193.10226	3.5
195.12531	5.9
197.04488	5.8
199.09558	15.7
206.04819	7.6
209.08023	10.4
211.09685	15.6
219.02896	4.6
227.09155	14.7
229.56731	2.4
237.07596	5.4
253.48637	2.8
255.08623	100.0
266.08969	7.6
291.10025	3.3
293.07806	6.0
294.08417	13.2
304.19113	2.7
307.09082	3.5
322.07947	27.3
322.11395	4.5
322.20111	5.2
323.05420	9.7
323.09048	7.4
323.12613	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	322.1491
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89055	5.1
54.08894	6.1
57.03423	10.1
57.86895	5.4
60.04514	64.0
69.03417	23.6
69.07064	82.8
70.06585	30.5
70.86655	16.6
71.08623	22.9
72.04543	6.6
72.08138	13.3
73.06518	8.8
79.05521	6.4
80.04993	7.1
81.03409	9.1
82.06569	8.4
84.04491	22.9
84.08118	15.7
85.02901	50.1
86.02418	6.6
86.09689	8.7
91.05436	6.4
96.04485	16.3
97.02872	72.8
97.06507	12.2
98.06070	7.6
101.49783	5.9
109.02848	8.0
109.91527	5.1
110.06033	6.7
114.09180	32.2
114.09924	7.0
115.07571	46.3
118.06472	7.5
119.04938	6.7
120.08121	15.7
126.05501	8.3
127.03902	19.0
130.06482	14.2
138.09035	6.8
142.06677	6.8
142.08630	100.0
143.07001	59.4
144.06522	41.3
146.06017	7.3
147.04404	10.4
149.05907	6.3
156.06554	7.1
157.06805	6.9
158.06026	9.1
160.07637	7.3
160.09663	82.8
162.07582	18.4
166.08652	17.2
167.08923	12.6
175.08685	9.3
184.09665	47.8
185.61203	5.5
202.10739	16.5
233.24960	7.7
240.12071	6.8
268.11478	9.3
277.12717	9.2
286.12747	11.8
304.13879	7.8
305.11914	10.1
311.88721	6.9
322.15396	10.2
322.18713	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	322.1435
Annotation	Pyriproxyfen
Peak:m/z	Relative Intensity
51.02374	0.5
53.03932	0.8
62.06082	0.3
69.79305	1.2
77.03939	0.3
78.03438	0.8
79.05506	0.4
81.07047	0.3
91.05477	1.2
93.07031	0.2
95.04968	1.9
96.04485	100.0
97.04806	1.0
98.21427	0.3
105.04520	0.3
105.07020	1.7
107.04960	0.4
115.05464	0.7
117.07047	0.3
119.04936	7.2
128.06213	1.1
129.06998	7.6
130.07303	0.2
133.06488	2.0
134.06259	0.4
134.07269	7.2
136.07576	1.7
137.65424	0.2
141.06981	1.2
143.08551	0.2
145.05476	0.2
145.06496	0.2
149.74173	0.3
153.07002	0.2
157.06488	1.5
158.55286	0.2
169.06598	0.2
170.07315	0.4
171.08118	0.3
181.06458	0.3
184.76729	0.2
185.05962	12.6
186.06549	0.4
187.07648	0.3
199.07564	1.2
199.11176	0.3
209.09532	0.3
227.10658	10.2
228.11095	0.2
241.88666	0.2
322.14392	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	321.9926
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99522	0.3
56.96565	1.9
71.04348	0.7
71.04688	0.8
71.95257	0.6
72.08127	0.3
88.99531	0.3
98.97577	5.2
101.00874	0.3
105.14481	0.3
114.09196	0.4
116.98615	4.7
119.01890	1.8
130.33781	0.3
134.99654	3.3
137.02888	0.6
153.00694	0.4
158.99904	0.5
177.00945	13.7
178.01031	1.1
182.99930	1.4
201.00938	4.7
218.03606	0.7
219.01987	100.0
220.02113	7.3
221.02248	0.7
232.96648	0.3
234.99734	1.2
236.99513	2.2
238.95523	0.8
242.03581	7.5
243.03781	0.6
256.93729	0.6
256.96591	8.0
257.96680	0.8
258.99789	1.2
260.04675	0.8
261.00266	0.4
261.02963	1.8
262.02957	0.5
272.94318	0.9
274.94186	2.0
274.97641	3.1
277.00876	1.8
278.01163	0.7
279.98248	1.4
280.96509	1.5
290.95413	0.6
292.95105	0.9
296.94485	0.5
297.99249	0.6
298.97656	37.6
299.05612	1.1
299.97720	2.6
307.47733	0.4
316.95187	0.6
316.98657	0.5
319.43887	0.7
321.99258	4.8
325.92233	0.4
334.92773	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.0955
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.9
54.99159	0.8
55.01861	2.0
55.05498	1.8
56.05010	1.4
56.96561	4.0
57.03436	4.6
58.99571	2.3
60.04524	1.1
60.05624	3.3
61.02917	6.1
66.40472	0.7
69.03421	17.8
70.06589	22.5
70.22079	2.7
71.01333	2.2
71.04982	2.4
72.08125	2.0
73.01130	2.2
73.02917	5.5
73.03252	0.9
74.06063	1.2
76.02225	8.7
77.22857	0.8
81.03427	5.2
81.07076	1.1
83.04958	1.2
84.04498	5.8
84.08118	2.7
85.02901	30.6
86.09676	1.0
87.02677	4.8
87.04451	3.8
90.05542	3.3
91.03963	1.8
91.05469	2.9
97.02872	10.2
98.00624	1.2
98.06037	2.0
98.97568	3.5
99.04432	2.6
100.02199	11.4
101.02349	1.2
103.03907	1.3
107.04974	1.0
109.02864	4.0
112.02184	2.6
112.08710	2.1
113.02946	4.1
114.03742	5.3
115.02151	2.1
116.01686	4.8
116.07077	1.5
116.98610	2.4
119.04922	3.0
120.08089	1.8
124.02142	2.5
126.03754	4.6
127.03905	8.6
128.01648	1.6
128.98624	0.9
129.01643	1.1
129.02449	12.1
130.04977	2.3
134.99632	0.9
136.07457	1.0
142.03209	83.2
142.08630	1.2
143.03542	2.0
143.06955	0.9
144.01126	2.0
145.04988	4.7
147.04398	7.2
155.08124	1.2
157.09674	1.2
158.99692	1.4
160.04265	100.0
160.09636	2.9
161.04630	2.0
163.03821	0.8
164.33925	0.9
175.11856	4.5
176.03749	2.6
176.34517	0.8
177.00792	0.9
189.05550	1.1
193.06372	4.0
217.04933	1.3
237.02861	2.0
238.05754	0.8
238.64842	0.8
244.48276	0.8
263.05499	1.0
264.30060	0.8
283.91501	0.8
304.08453	2.3
305.16098	1.2
312.57123	0.8
322.09512	21.1
322.13684	1.4
322.14966	1.3
322.18542	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	321.2421
Annotation	11,12-EET
Peak:m/z	Relative Intensity
53.03940	3.7
55.01864	5.1
55.05506	36.3
56.96553	2.0
57.03427	2.8
57.07069	11.6
59.04990	2.9
65.03938	2.4
67.05499	49.0
69.03420	14.1
69.07059	56.5
70.06590	4.5
70.07392	2.0
70.29612	4.1
70.30006	4.5
71.04984	15.3
72.08155	2.3
75.29305	1.9
78.01025	1.9
79.05479	29.0
81.03429	2.8
81.07048	100.0
82.07412	2.0
83.04980	9.2
83.08607	17.5
84.04492	2.8
84.08132	2.8
85.06551	9.4
91.05462	25.4
93.07035	66.3
95.04956	22.3
95.08595	97.5
96.08904	2.8
97.06510	11.0
97.10159	32.5
99.04536	1.8
99.08067	2.6
105.07016	41.0
107.08578	77.1
109.06497	20.6
109.10149	69.3
110.10561	1.7
111.08054	10.1
111.11705	10.5
113.06007	3.6
115.42892	2.1
117.06979	4.7
119.08568	40.4
121.06539	9.0
121.10133	73.7
122.10474	2.2
123.08031	11.1
123.11700	31.7
123.12523	2.8
124.11964	2.1
125.09637	15.0
127.11215	2.4
131.08557	11.2
133.10115	28.3
135.08063	10.4
135.11688	42.6
137.09616	11.3
137.13223	13.6
139.07509	3.0
139.11201	8.4
143.08551	3.2
143.10683	6.4
145.10114	20.4
146.10558	2.1
147.08044	2.0
147.11682	30.9
149.09625	11.9
149.13246	28.9
151.07555	2.4
151.11156	15.6
151.14825	3.0
153.09082	2.5
153.12737	4.1
157.10152	5.9
159.11673	23.0
161.09605	5.4
161.13220	14.2
163.07471	2.4
163.11150	23.1
163.14810	8.5
165.09132	3.1
165.12758	16.6
167.10626	4.2
169.10016	3.0
171.11649	3.2
173.13206	12.1
175.11256	5.5
175.14778	12.5
177.12741	14.5
177.16393	8.3
179.10692	2.9
179.14314	4.6
181.12241	5.3
185.13179	2.2
187.14783	9.9
189.16420	7.1
191.14336	6.0
193.15891	7.9
195.13779	2.9
195.17563	2.5
197.13235	2.2
201.16309	4.8
203.14313	3.7
203.17908	2.7
205.15880	6.4
207.15787	2.0
211.14798	3.9
215.14412	2.1
215.17894	3.5
218.07332	2.4
221.19057	3.5
223.16936	2.3
224.20090	2.8
243.21048	4.1
257.22696	8.7
261.09061	2.3
261.22089	6.5
267.21094	11.7
275.23676	49.2
276.24100	3.5
279.47498	2.0
285.22098	21.3
289.08609	3.1
303.23160	74.9
304.23572	2.4
321.07852	2.8
321.11383	5.2
321.24176	46.3
322.24643	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	321.242
Annotation	2alpha,9beta-Dihydroxy-3beta,8beta-oxido-1(15)-trinervitene
Peak:m/z	Relative Intensity
55.01856	0.7
55.05490	2.3
57.07078	5.9
60.04526	9.9
61.04844	2.5
62.04929	2.6
67.05489	4.1
69.07047	3.2
71.04988	1.1
71.08635	4.2
71.75147	1.4
79.05474	2.8
81.07039	6.2
83.08602	2.2
85.06529	1.9
91.05431	1.1
93.07016	1.9
95.05015	0.8
95.08593	7.5
99.08093	1.9
105.07012	1.2
107.08562	3.2
107.45065	0.8
109.06503	17.8
109.10154	2.4
111.08092	1.9
119.08559	1.5
121.10152	1.5
122.07278	2.7
123.08057	24.6
124.08433	0.9
133.10063	0.7
135.08026	4.3
137.09578	0.9
140.03807	0.7
145.10115	1.8
147.11719	0.7
149.09627	1.2
149.13353	0.7
151.11115	0.8
165.12735	0.9
167.14288	1.2
179.14294	100.0
180.14616	4.5
193.15878	2.9
204.02327	0.7
205.15790	0.9
265.17987	0.7
285.28882	2.2
303.23154	2.9
303.29837	2.3
321.24200	80.5
321.30743	6.6
322.24542	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	321.2422
Annotation	2alpha,9beta-Dihydroxy-3beta,8beta-oxido-1(15)-trinervitene
Peak:m/z	Relative Intensity
52.30701	0.7
53.03929	0.7
55.01845	0.7
55.05507	9.6
59.87883	0.6
60.04513	1.4
67.05507	5.3
69.07067	6.1
71.04963	0.9
72.90213	0.6
79.05484	3.6
81.07049	8.9
83.04956	1.3
83.08619	3.5
85.06537	0.9
86.52106	0.6
91.05460	2.8
93.07039	6.4
95.04955	0.8
95.08599	10.5
97.06503	2.5
97.10164	2.7
99.08046	0.7
100.59261	0.6
105.06398	0.7
105.07031	2.9
107.08579	4.8
109.06499	8.6
109.10134	3.3
111.08059	2.2
111.87605	0.6
119.08546	3.3
121.10133	4.3
122.07265	1.0
123.08062	66.2
123.11658	1.6
124.08381	1.8
131.08556	2.3
133.10095	3.3
135.08031	5.6
135.11652	0.9
137.09583	3.3
138.55844	0.6
139.11154	1.8
145.10124	1.4
147.11736	1.8
149.09592	2.9
151.11140	0.9
159.11597	0.9
161.13243	1.1
170.39891	0.6
177.12723	0.8
179.14299	2.8
187.14780	1.5
195.71713	0.6
203.12752	1.1
205.15872	0.9
247.16899	1.5
251.16528	0.8
253.17941	0.9
261.22177	0.9
265.17984	23.4
266.18234	0.8
303.23190	4.8
321.24225	100.0
322.24622	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	321.2422
Annotation	2alpha,9beta-Dihydroxy-3beta,8beta-oxido-1(15)-trinervitene
Peak:m/z	Relative Intensity
53.03952	0.5
53.18946	0.6
55.01865	0.9
55.05270	0.8
55.05508	9.9
56.05841	0.5
57.07075	2.7
67.05500	6.2
69.07060	6.0
71.04986	1.1
71.08611	2.1
71.15749	1.4
74.64508	0.5
79.05486	4.7
81.07049	9.6
83.04972	1.4
83.08617	3.6
85.06523	1.1
91.05479	2.9
92.46103	0.5
93.07030	6.1
95.04967	1.0
95.08599	10.8
97.06519	1.2
97.10164	2.4
99.08063	1.0
105.07014	2.7
107.08595	5.3
109.06513	15.2
109.10159	3.6
111.08075	1.9
117.06987	0.6
119.08578	3.6
121.06467	0.9
121.10142	3.8
122.07289	1.8
123.08057	61.9
123.11681	1.4
124.08404	1.9
125.09625	1.0
131.08539	1.4
133.10097	2.8
135.08031	6.1
135.11684	0.7
136.08736	0.5
137.09607	3.9
139.11205	1.6
142.78986	0.6
145.10127	1.9
147.11649	1.5
149.09605	2.1
149.13263	1.0
151.11197	0.6
152.08389	0.6
159.11668	1.4
161.13246	1.0
163.11221	0.7
165.12662	0.9
171.11546	0.8
173.13249	0.9
179.14294	51.9
180.14600	2.6
187.14832	1.4
191.14362	0.8
193.15887	1.3
203.12744	0.9
205.15941	1.0
223.17001	0.7
247.16969	1.5
253.17802	0.8
261.22098	1.3
265.17969	16.2
266.18246	1.1
275.23569	0.5
279.19522	0.7
285.22427	0.7
303.23227	5.5
321.24219	100.0
322.24612	7.8
342.02298	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.2421
Annotation	Vittadinal
Peak:m/z	Relative Intensity
53.03933	11.4
55.01865	41.8
55.05503	21.2
57.03429	7.6
67.05502	43.3
69.07059	23.7
70.19167	2.0
71.05002	3.8
71.64675	4.0
72.56441	2.0
79.05482	47.7
81.03410	11.5
81.07049	100.0
82.07416	2.3
83.04967	9.3
83.08595	10.0
85.06512	3.8
91.05469	38.5
93.07040	40.2
95.04945	10.9
95.08602	23.5
97.06520	64.6
97.10157	10.0
99.08076	1.9
105.07029	37.8
107.04938	16.3
107.08585	28.1
109.06510	29.1
109.10150	7.7
111.08072	4.4
111.84892	2.2
117.07018	11.0
119.08580	25.1
121.06490	4.4
121.10139	12.2
123.08063	7.0
123.11678	3.6
125.09621	10.0
129.07005	5.0
131.08525	14.5
133.10101	24.7
135.08046	8.8
135.11679	7.9
137.09624	3.1
139.07544	2.6
143.08557	2.7
145.06477	2.2
145.10147	11.7
147.11681	15.8
149.09602	18.4
149.13255	8.1
151.11160	4.6
157.10143	2.6
159.11649	13.3
161.13232	4.9
163.11134	9.7
165.09091	3.6
165.12726	3.9
173.13217	4.1
175.11197	3.5
177.12718	6.9
179.14299	7.3
183.11664	2.9
187.11201	5.1
197.13284	2.4
203.14322	2.7
205.12099	2.9
213.39870	2.3
217.14299	4.7
219.17393	11.9
219.64078	2.8
220.69936	2.0
229.15915	2.4
229.19600	4.2
240.57123	2.6
247.20537	5.0
257.19046	5.8
275.20026	58.4
276.20355	2.1
291.23386	2.2
321.24203	8.6
330.96936	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.2421
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	6.3
53.40187	2.3
55.01866	3.0
55.05510	25.1
57.03436	2.6
57.41143	2.1
59.25415	2.2
67.05498	37.1
69.07062	13.0
69.60774	6.0
69.61185	12.4
71.04990	3.4
77.09819	2.1
79.05484	40.1
81.03405	6.9
81.07048	100.0
82.06578	2.9
82.07365	2.8
83.04977	4.6
83.08611	25.2
85.06562	3.5
87.83307	2.3
89.16607	2.3
91.05475	31.1
93.07037	31.0
93.79787	2.1
94.07403	2.6
95.04964	13.0
95.08611	25.1
97.06538	9.0
97.10165	4.1
105.07030	27.0
107.04955	9.7
107.08588	20.3
109.06510	47.0
109.10144	10.4
111.08099	5.5
117.07039	10.7
119.08568	21.0
121.06494	5.4
121.10140	14.4
123.08057	9.8
123.11713	6.7
125.09688	3.4
131.08556	16.8
133.10100	21.8
135.08076	5.5
135.11703	9.6
137.09593	6.2
145.10127	16.8
147.08095	3.9
147.11691	16.4
149.09624	13.5
149.13274	7.5
151.11177	3.3
157.10197	5.4
159.11707	10.0
161.13313	4.4
163.11157	16.1
165.12694	10.7
171.11719	2.9
173.13266	7.3
175.11230	2.9
175.14912	2.2
177.12645	3.1
191.14301	2.5
193.12297	5.2
197.13261	3.2
207.13789	2.7
219.13722	3.0
223.11952	2.5
229.19554	5.7
238.14388	2.4
239.17941	7.1
247.20555	8.4
248.68248	2.2
257.19028	10.0
275.20035	88.9
276.20285	5.5
303.25192	5.1
306.11160	2.4
321.26459	92.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.2421
Annotation	18-Oxo-19-hydroxynerylgeraniol
Peak:m/z	Relative Intensity
50.07912	1.0
53.03918	2.0
55.01852	3.8
55.05504	10.6
57.03428	1.6
57.07054	2.7
65.03925	1.2
67.05499	23.9
69.03415	1.8
69.07057	15.3
70.38111	4.2
71.04971	2.6
73.58506	0.9
79.05486	16.3
81.03395	1.0
81.07046	27.2
83.04973	5.8
83.08617	5.3
85.06539	1.0
91.04919	1.3
91.05470	16.8
93.07043	22.8
95.04967	9.0
95.08593	16.3
97.06525	3.7
97.10145	1.5
99.08080	1.2
99.70435	0.9
105.07020	23.6
107.04967	5.8
107.08576	13.4
109.06521	9.2
109.10155	8.4
111.08043	2.4
117.06995	5.7
119.08578	14.3
121.06505	10.6
121.10142	8.3
123.08047	5.6
123.11674	3.5
125.09608	1.1
129.07014	2.0
131.08551	14.1
133.06473	3.6
133.10120	15.8
135.08081	4.4
135.11655	5.3
137.09650	2.0
143.08545	4.1
145.06491	1.6
145.10110	11.6
147.08017	1.8
147.11674	10.9
149.09581	6.3
149.13249	3.8
151.11165	5.8
155.08531	1.7
157.10147	3.5
159.08038	2.3
159.11703	7.8
161.09651	3.0
161.13237	3.6
163.11218	4.8
165.12738	1.2
169.10045	1.6
171.11691	1.8
173.09639	1.6
173.13301	6.3
175.11168	3.5
175.14937	1.3
177.12715	2.5
180.08409	1.0
183.11661	1.5
187.11150	1.5
187.14746	1.4
189.12639	1.9
191.14337	3.0
197.13272	1.2
201.12729	3.4
205.16037	1.1
207.13803	4.7
215.14296	1.7
215.17946	1.7
219.13795	4.4
221.15129	1.0
229.19482	1.6
233.15308	1.3
239.17975	2.7
247.20589	5.7
256.44568	1.1
257.18954	14.9
275.20038	100.0
276.20358	5.0
303.23111	2.7
321.24216	43.6
322.24594	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	321.242
Annotation	20-HETE
Peak:m/z	Relative Intensity
51.02362	2.6
53.03934	8.3
53.53306	2.3
55.01871	11.2
55.05506	27.5
57.03432	12.0
57.07055	6.4
65.03912	3.8
67.05497	77.6
69.03390	4.2
69.07056	33.6
69.86279	1.9
70.04443	12.5
71.01342	3.4
71.04985	34.6
71.75537	2.2
73.06512	2.9
75.83446	2.2
79.05485	67.7
81.03396	7.0
81.07048	100.0
83.04958	14.0
83.08604	14.2
84.70708	2.0
85.02863	3.5
85.06509	6.3
91.05466	51.9
92.58655	2.2
93.07034	58.0
95.04956	29.0
95.07996	3.9
95.08594	56.0
97.02886	57.6
97.06508	14.1
97.10138	6.8
99.08073	10.7
101.85730	2.2
103.05413	3.2
105.06326	4.4
105.07014	56.0
107.04924	15.2
107.07905	3.7
107.08588	46.2
109.06499	22.3
109.10150	28.1
111.04414	5.2
111.08057	10.8
113.09676	3.8
115.05458	5.9
117.07015	16.2
118.04402	2.1
119.08572	48.3
121.06517	11.1
121.10118	26.3
123.08060	17.5
123.11703	12.8
125.05974	39.2
125.09608	8.0
129.06972	3.4
131.08551	23.2
133.06450	4.1
133.10106	40.1
135.08049	11.2
135.11656	20.4
137.09615	14.4
139.07565	3.9
143.08585	4.2
145.10141	21.3
145.61092	2.0
147.08092	3.3
147.11658	33.1
149.09578	17.7
149.13229	7.6
151.11163	8.1
157.10095	4.0
159.08099	2.5
159.11697	17.5
161.09612	2.9
161.13242	10.1
163.11159	10.5
163.14787	2.6
165.09131	3.0
165.12759	6.4
169.10075	3.1
171.11699	8.6
173.13263	10.3
175.11206	4.8
175.14786	3.4
177.12749	8.3
183.11668	5.6
187.11130	2.5
187.14844	3.2
189.12759	3.8
191.14256	3.7
197.13287	3.4
201.12785	3.0
203.14258	2.5
203.17986	4.4
219.13963	2.6
219.17421	6.5
229.19568	7.0
233.19142	2.1
239.17912	8.5
247.20563	13.4
247.62260	2.3
257.19022	14.2
275.20016	99.5
276.20380	3.0
277.21613	4.3
289.40344	2.1
293.21136	11.4
303.23148	9.9
321.24216	75.5
321.28195	3.5
321.29840	4.2
322.24326	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	321.2421
Annotation	Epivittadinal
Peak:m/z	Relative Intensity
53.03947	19.0
55.01873	16.6
55.05239	4.4
55.05502	74.7
57.07038	2.7
65.03917	3.3
67.05142	3.8
67.05499	63.0
69.03407	3.2
69.07061	33.6
70.70445	3.5
70.70798	9.1
70.72421	2.7
71.04977	5.4
79.05478	48.1
81.03413	33.5
81.06620	3.4
81.07049	56.1
83.04951	11.4
83.08610	100.0
85.06516	3.7
91.04928	3.9
91.05463	41.5
93.07035	53.2
95.04945	26.1
95.08581	34.7
97.06512	13.6
97.10156	6.5
99.08078	3.6
102.53628	2.4
105.07017	26.4
107.04942	35.0
107.08566	27.6
109.06494	12.7
109.10133	7.4
111.08062	22.7
115.10480	2.5
117.07014	16.1
119.08560	25.6
121.06472	4.5
121.10115	37.2
123.08037	5.3
123.11681	3.6
125.09571	4.2
129.07008	5.3
130.07706	2.5
131.08551	22.8
133.10150	19.2
135.08041	8.1
135.11664	23.9
139.11160	5.6
143.08492	4.8
145.06445	8.3
145.10110	33.8
147.08022	3.8
147.11676	17.6
149.09598	29.3
149.13220	4.0
155.08527	5.6
157.10121	6.5
159.11674	9.8
161.13196	6.0
163.11157	49.6
165.12781	13.3
167.36444	2.5
171.11670	5.2
172.62036	2.6
173.09534	8.6
173.13120	6.4
175.11218	3.9
177.12708	4.2
183.11705	3.1
191.10538	6.5
197.13141	3.3
229.19534	3.6
239.18124	4.9
257.18896	10.3
275.20032	46.5
276.20163	3.9
303.23236	3.2
321.24152	52.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.2059
Annotation	Smardaesidin F
Peak:m/z	Relative Intensity
53.03931	6.3
55.01869	5.5
55.05512	29.2
57.07063	4.7
59.04988	3.9
59.14632	3.4
67.05503	40.0
69.07052	13.4
71.04984	5.0
71.74745	4.5
79.05492	100.0
81.03436	4.9
81.07040	33.5
83.08601	14.4
85.06521	3.1
86.53095	3.6
86.55188	3.7
91.05482	35.8
93.07030	36.1
95.04951	10.9
95.08607	21.5
97.10158	21.3
101.20853	3.1
105.07014	28.6
107.04945	4.3
107.08592	45.3
109.06468	6.5
109.10130	14.8
111.08096	3.4
117.07053	16.1
119.08572	61.0
121.06448	3.2
121.10120	8.9
123.08043	7.2
123.11676	10.5
125.09632	14.6
127.03867	5.0
129.07005	9.0
131.08566	21.1
133.06433	5.1
133.10097	16.4
135.08040	44.9
135.11655	7.0
137.09566	4.8
141.07071	5.9
143.08539	8.6
145.10095	13.2
147.04413	3.6
147.08018	7.3
149.09579	17.9
151.11186	4.2
155.08505	5.9
157.10107	11.7
159.08040	6.8
159.11674	3.3
161.09566	6.1
169.10092	10.5
171.11662	5.7
173.09636	4.8
237.16418	3.4
275.20044	7.2
285.18469	10.0
303.19586	15.7
321.20755	6.1
321.24149	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	321.2421
Annotation	18-Oxo-19-hydroxynerylgeraniol
Peak:m/z	Relative Intensity
51.21267	1.5
53.03935	4.7
55.01878	11.7
55.05242	1.7
55.05507	26.3
57.03423	5.6
57.07068	2.2
60.10532	1.4
61.85954	1.3
62.06082	3.3
65.03942	1.9
67.05499	66.4
68.24952	1.4
69.03418	4.9
69.07063	23.6
69.97279	9.3
71.04984	5.5
75.80596	1.5
79.05482	43.5
81.03419	7.7
81.07050	83.3
82.07399	1.5
83.04988	9.4
83.08620	13.6
85.06549	1.6
87.04471	1.5
91.05470	47.6
93.07035	48.9
95.04957	28.8
95.05517	2.6
95.08596	43.0
97.06535	15.2
97.10157	5.9
99.08092	2.3
105.06337	3.1
105.07023	53.7
107.04971	11.9
107.08589	33.2
109.06512	17.6
109.10150	27.0
111.08088	4.8
115.05487	1.9
117.07008	12.9
119.07737	3.1
119.08575	52.4
121.06501	6.9
121.10131	22.9
123.08043	11.2
123.11697	9.4
125.09636	3.7
129.06996	5.1
131.08559	19.5
133.10115	45.3
133.28143	1.7
135.08017	12.2
135.11676	11.0
137.09615	14.9
139.11249	1.8
143.08566	3.7
145.10095	20.2
147.11687	20.3
149.09595	11.7
149.13258	6.6
151.11159	18.7
155.08565	2.9
157.10152	5.2
159.11678	15.8
161.09515	2.3
161.13283	6.2
163.11205	8.2
163.14842	1.7
165.09206	2.3
165.12741	5.4
169.10118	4.0
171.11678	6.5
173.09563	3.1
173.13264	11.7
175.11143	3.0
175.14876	2.6
177.12756	3.9
183.11679	4.2
183.77028	1.5
184.59476	1.5
187.11183	2.4
187.14832	3.8
191.14267	3.1
197.13373	3.5
197.15291	3.7
201.12733	3.3
205.19525	1.6
207.13747	1.6
215.14333	2.1
219.13690	1.7
222.85655	1.7
223.20404	1.7
229.19521	5.1
231.17540	2.1
233.15204	2.0
239.17953	5.7
247.20540	13.7
257.18951	15.5
258.48807	1.5
275.20041	100.0
276.20419	4.6
301.92023	2.5
303.23068	9.0
321.24213	31.4
322.24527	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	321.2422
Annotation	Epivittadinal
Peak:m/z	Relative Intensity
53.03933	4.9
55.01871	12.4
55.05507	58.2
57.03419	3.7
67.05145	2.4
67.05502	43.0
69.03413	6.1
69.07066	15.6
70.32904	3.8
70.33293	4.3
71.04969	4.1
79.05482	49.9
81.03422	9.0
81.07054	47.6
83.04965	6.5
83.08615	36.4
84.95958	2.1
85.02915	2.7
85.06522	3.1
85.10150	3.1
91.05472	35.0
93.07043	46.6
93.35715	2.0
95.04960	70.1
95.08604	27.3
97.06531	9.2
97.09581	2.6
97.10161	34.3
103.05460	2.4
105.07024	35.1
107.04952	16.9
107.08584	52.0
109.06522	13.1
109.10152	16.1
111.08050	8.1
113.09642	2.0
117.07016	9.3
119.08566	23.8
121.06525	10.2
121.10137	22.1
123.08074	8.7
123.11674	7.0
125.08707	2.2
125.09621	40.5
125.61613	1.7
129.06999	5.0
131.08569	18.3
133.10118	19.8
135.08022	20.9
135.11699	12.2
137.09602	5.2
137.17696	1.6
143.08594	2.5
145.10115	23.8
146.10475	2.1
147.08038	8.2
147.11674	11.2
149.09618	61.5
149.10822	3.1
150.09845	3.3
151.11121	4.8
153.09132	11.9
157.10123	2.5
159.11652	15.4
161.09622	4.1
161.13251	5.1
163.11182	36.0
165.12750	10.4
169.10081	1.8
169.12206	2.1
171.10222	2.9
171.11638	3.5
171.13803	6.0
173.09579	3.9
173.13231	3.4
175.14983	2.0
177.12720	7.2
187.11153	6.0
189.12732	2.1
197.13245	3.6
205.12288	6.1
207.13741	8.8
217.14334	18.6
229.19524	5.2
239.17915	6.9
247.20610	4.5
251.16472	6.1
257.18994	16.2
275.20056	100.0
276.20132	5.5
321.24207	65.7
321.27954	3.4
322.24643	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1806
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	2.7
55.05510	18.9
55.22854	1.5
56.05022	1.6
57.03431	22.1
57.07055	4.5
67.05500	10.9
68.05026	1.7
69.03425	3.3
69.07069	11.1
69.76485	10.9
70.06575	4.6
71.04984	3.5
72.08133	3.6
79.05492	10.1
80.05019	3.5
81.03404	2.5
81.07053	18.5
82.06546	2.8
83.04957	4.2
83.08619	13.5
84.04495	25.2
84.41147	1.4
84.69067	1.5
85.02895	20.4
85.06503	1.5
86.06045	4.3
87.04430	2.2
91.05463	12.0
93.07033	14.0
94.06557	17.9
95.01313	3.1
95.04951	7.2
95.08602	18.0
96.08112	1.7
97.06508	4.8
97.10143	6.3
102.05524	8.4
105.07025	13.6
106.06528	3.2
107.08600	12.1
108.08120	2.0
109.06495	5.3
109.10145	10.5
111.08057	3.8
111.11674	2.0
116.07092	2.5
117.06995	5.2
118.06533	4.1
119.08565	19.4
120.08105	9.0
121.06502	1.7
121.08895	2.2
121.10106	7.6
122.09651	6.8
123.08032	1.6
123.11681	4.6
125.09605	3.1
128.06133	1.7
129.06963	2.3
130.04997	50.4
130.06473	2.7
131.07294	4.9
131.08554	4.6
132.08095	14.5
133.08832	2.0
133.10135	6.2
134.09650	10.8
135.08009	2.7
135.10468	2.2
135.11682	5.7
136.11206	33.5
136.12233	2.2
137.09619	3.8
137.13260	2.0
138.09131	7.6
139.07527	2.4
143.08513	3.2
144.08105	5.9
145.08850	4.0
145.10078	4.3
146.05998	3.9
146.09604	5.0
147.06763	3.5
147.07915	2.3
147.11684	5.9
148.07579	13.2
149.13229	4.8
150.09123	20.4
151.11157	1.8
157.10023	2.7
158.09625	11.6
159.10443	3.4
159.11723	3.9
160.07582	11.2
160.11197	9.4
161.08350	9.0
161.13274	3.0
162.09177	7.2
163.11203	1.9
164.07050	3.2
165.12717	1.6
168.07996	2.4
170.09642	2.1
172.07602	3.2
172.11209	3.2
172.12747	1.5
173.08334	1.7
173.09628	1.6
173.11945	3.2
173.13283	2.3
174.09113	2.5
174.12793	18.9
175.11198	4.4
176.07088	1.6
176.10706	4.7
178.08627	6.3
182.09695	1.5
183.10373	1.4
184.11176	4.7
186.09111	7.8
188.10690	10.6
191.13007	4.6
192.06567	7.1
192.13818	98.8
193.07300	2.5
193.14124	4.3
194.08096	6.8
197.69463	1.7
198.09137	2.0
200.10698	2.6
202.12248	17.4
204.10210	29.5
205.07323	6.0
205.15860	1.9
206.08122	40.6
206.11699	2.2
212.14354	8.8
215.17995	1.6
216.10239	6.7
216.13763	4.0
218.07994	1.9
218.11737	4.0
219.14915	2.5
220.13289	3.0
230.11755	8.3
230.15385	17.1
232.09679	8.6
233.09959	1.5
234.11218	26.6
240.13832	4.7
246.06818	1.7
246.11275	2.7
247.12073	2.2
247.14565	4.4
248.12808	16.2
249.12537	2.4
250.10735	34.3
251.10974	1.4
257.16382	5.4
258.14899	52.7
259.15195	2.8
261.09109	2.3
262.10745	77.7
263.10983	2.9
265.15469	5.8
275.17532	17.0
276.15906	5.4
279.13394	2.4
285.22046	1.8
286.14368	11.2
303.16974	9.4
303.23169	5.9
304.15417	100.0
305.15842	4.7
321.11368	4.5
321.18066	85.4
321.24377	6.5
322.18323	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	321.1596
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	3.1
57.82053	0.5
67.05502	2.8
69.03419	1.2
69.07053	3.4
69.66000	2.8
69.66408	1.0
70.06585	0.6
71.04989	1.2
72.08142	1.0
78.83527	0.5
79.05486	2.1
81.03428	0.8
81.07046	6.6
83.04994	1.2
83.08634	0.8
85.06548	0.7
91.05465	3.8
93.07034	6.0
95.01315	0.9
95.04955	3.1
95.08599	5.4
97.06515	1.0
97.10176	1.4
105.07035	3.2
107.04944	0.6
107.08588	4.1
109.06506	0.8
109.10138	3.5
111.08050	1.0
115.05452	3.1
117.05753	0.9
117.07017	4.5
118.06530	57.3
119.07380	3.1
119.08564	1.8
121.10133	3.9
123.08080	0.9
123.11696	1.5
130.04904	0.6
131.08580	1.2
132.08128	0.7
133.10135	2.1
134.09642	100.0
135.09985	1.5
135.11693	1.8
137.09610	1.0
139.11124	0.6
142.06508	4.8
143.07292	5.7
144.04398	0.7
144.08072	22.9
145.10136	1.4
146.05992	98.2
147.04459	0.5
147.06345	1.9
147.11655	3.0
149.09750	0.8
149.13246	1.4
151.11182	0.7
155.06023	0.7
157.10037	0.7
159.11708	1.2
160.07567	1.2
163.11098	0.7
165.09200	0.6
170.05994	7.3
173.09532	0.7
173.13210	0.7
174.09142	1.2
174.85738	0.5
188.07047	94.1
189.07344	1.1
192.10236	2.8
201.19379	0.5
261.08710	0.7
265.08551	0.5
282.12000	0.6
289.08456	1.5
293.07843	1.0
303.23325	2.6
304.04736	0.6
321.08057	2.9
321.11215	2.1
321.15823	10.5
321.24170	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1805
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05491	3.5
59.00707	1.0
61.49071	1.0
67.05486	3.6
69.03436	1.3
69.07079	6.6
69.47713	6.7
69.48141	4.5
71.04948	1.5
79.05486	4.1
81.07047	11.7
83.08601	2.3
85.06518	1.3
86.09695	93.3
87.09992	1.3
91.05471	2.8
93.07059	7.7
94.08126	1.1
94.24841	0.9
95.04960	6.3
95.08603	6.1
97.10152	2.3
98.21421	2.1
103.05438	4.0
105.07029	6.2
107.04929	2.1
107.08576	5.9
109.06477	3.2
109.10131	6.7
110.29779	0.9
111.08038	1.1
119.08594	6.1
120.08090	100.0
121.06536	1.5
121.08434	2.9
121.10158	7.6
123.11702	3.0
125.09644	1.4
128.10701	47.3
131.04910	2.5
131.08540	1.5
133.10097	3.6
135.11664	4.6
137.09552	2.8
139.11241	1.0
145.10091	2.8
147.11691	3.4
149.06006	2.4
149.09561	1.2
149.13199	2.3
156.10184	12.2
159.11635	2.0
161.13263	1.5
163.11154	1.1
165.09091	2.9
165.12723	1.1
166.08620	56.7
167.08998	1.7
173.13312	1.4
175.14832	1.4
240.33331	1.1
303.23126	4.5
321.11221	1.8
321.23993	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	321.1442
Annotation	Formylfusarochromanone
Peak:m/z	Relative Intensity
51.46288	1.2
55.01868	2.0
55.05500	1.5
65.78526	1.4
67.05502	10.5
69.85024	9.5
70.06579	6.6
72.08145	2.9
79.05484	3.9
81.03390	1.9
81.07027	1.8
84.04501	2.8
84.08166	2.4
85.02900	4.8
86.06069	1.4
86.09712	2.0
91.05473	4.5
93.07029	3.6
94.06561	10.4
95.04952	5.5
95.07333	1.7
95.08582	1.8
96.08126	2.7
98.06072	1.8
98.09664	1.4
102.05509	2.1
107.04983	1.6
107.07310	2.6
108.07481	1.6
108.08081	8.4
110.06034	3.1
110.07188	2.2
110.09676	2.0
111.04397	1.2
118.06513	1.5
119.04940	3.4
119.08548	2.2
120.08118	5.9
122.06028	9.1
123.06802	3.3
130.05019	7.1
130.06499	1.9
134.05992	3.3
136.07565	9.6
138.05487	22.9
138.09120	7.5
144.08073	2.2
146.06010	1.5
146.08411	2.2
146.09592	1.4
147.04396	11.1
148.07541	6.8
152.07121	2.3
156.06525	10.6
158.09543	2.5
159.10341	1.8
163.03865	1.5
164.07062	3.5
166.08646	12.1
169.08817	2.1
172.07562	1.4
173.07065	4.4
173.10741	2.2
174.07881	3.4
175.11978	2.4
184.11212	3.4
186.09157	3.7
189.10210	9.5
192.13843	8.8
194.09630	2.6
195.09047	2.4
196.09869	14.8
197.08426	1.3
197.10721	5.2
199.08684	1.9
201.10223	1.9
202.08611	6.1
202.10835	3.1
202.12476	3.2
203.03375	5.9
203.11760	5.7
206.08363	22.8
209.06950	1.6
210.11562	3.0
211.08725	2.4
211.12321	11.4
212.10741	2.4
214.08650	7.2
215.03351	2.4
215.09407	5.2
215.11543	1.7
220.09966	5.4
221.10733	10.1
223.08687	6.7
224.09421	10.0
225.10191	2.5
227.08173	6.1
229.13307	2.0
230.11774	4.5
232.09709	3.1
237.10237	5.1
238.10992	7.8
239.08116	2.8
239.11765	30.5
240.10222	2.2
241.09729	4.2
244.09808	2.3
244.11958	6.2
248.13023	1.8
257.09561	1.4
257.09955	1.7
257.12799	13.4
258.11221	9.9
261.03922	1.6
261.12201	1.4
262.13150	3.8
267.11267	59.0
272.11523	2.0
275.13812	8.8
276.12210	13.6
285.12311	100.0
286.10480	1.6
290.12610	5.6
303.13358	68.7
304.11899	6.3
304.15402	3.6
321.05963	2.2
321.10745	2.9
321.14465	35.0
321.18121	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	321.1151
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24337	0.4
63.14462	0.4
70.41172	1.4
91.84106	0.4
94.25146	0.4
101.04064	0.4
141.77351	0.4
168.20924	0.4
258.75964	0.4
321.11536	100.0
322.11923	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	321.1441
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50029	1.7
53.03912	2.3
53.90375	1.9
54.02408	1.9
55.05505	4.4
56.05031	4.4
56.96548	2.4
60.05636	2.7
65.03922	2.8
67.05493	13.5
69.03419	2.6
70.00136	6.7
70.00552	3.6
70.06576	8.1
72.08147	3.1
79.05450	4.5
81.03373	2.4
81.07055	2.5
82.06569	3.8
83.04959	7.4
83.46435	2.0
84.04483	4.1
84.08117	4.1
85.02882	3.7
91.05459	5.4
92.36316	1.8
93.04523	2.6
93.07039	6.7
94.06548	16.2
95.04949	4.2
96.08102	3.7
97.02844	2.0
97.06506	3.5
98.06030	11.1
98.21429	2.5
104.05328	2.7
107.07246	2.3
108.08127	10.0
109.06374	1.8
110.06028	13.8
110.07117	2.2
110.09672	6.3
111.04386	5.1
118.06596	1.9
119.04899	7.7
119.08534	2.2
120.08109	10.9
122.06028	12.4
123.06778	3.9
124.07608	3.6
130.04985	2.6
136.07570	7.7
137.08331	5.6
138.05486	21.7
138.09128	26.0
138.72107	1.7
139.03896	13.1
144.08086	3.3
146.06148	2.5
147.04381	29.5
148.06078	3.6
148.07562	7.6
152.07048	2.4
156.06532	49.5
158.09488	3.9
166.08612	100.0
170.09633	2.6
171.10471	2.7
172.07545	2.8
175.11919	7.3
182.09647	2.6
184.11185	3.8
185.07095	2.8
186.09113	4.1
188.10724	6.0
189.10216	3.6
195.09190	3.3
196.09853	15.7
197.10648	5.4
198.09219	3.1
202.08580	6.4
202.12294	5.7
206.08347	29.5
209.07048	2.2
209.10542	2.3
211.08627	3.1
211.12306	13.0
212.08917	2.3
212.10728	6.3
213.10249	2.2
214.08583	7.1
215.09448	3.3
216.10114	5.6
220.09914	5.1
221.10739	9.2
223.08687	9.4
224.09395	10.7
225.10210	3.6
226.11024	3.7
227.07986	5.0
227.11801	3.2
229.13359	2.6
230.11755	6.4
232.09735	4.9
233.10590	2.7
234.11188	7.1
237.10181	7.6
238.10974	9.0
239.08115	2.4
239.11809	25.0
240.10204	5.3
241.09749	2.8
243.11307	3.0
244.09775	4.7
244.12088	2.7
248.12796	2.2
254.10490	2.8
257.12790	8.1
258.11292	15.9
262.10678	17.0
267.11240	57.4
272.11649	3.1
275.13889	5.4
276.12302	33.1
285.12289	76.7
286.46313	2.2
290.12540	2.6
303.10306	3.9
303.13391	36.8
304.11685	21.8
321.06213	2.2
321.10938	2.9
321.14474	45.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1152
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38279	0.5
55.84233	0.5
65.73740	0.5
69.84420	1.3
69.84837	2.2
79.20432	0.5
81.22412	0.6
98.20786	0.9
113.88931	0.5
120.60342	0.5
141.06525	0.6
144.11606	0.5
173.02992	0.5
199.32744	0.5
219.03496	1.0
231.07109	0.6
233.04813	0.6
321.11533	100.0
322.11942	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1153
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96544	0.2
57.03409	0.2
61.02910	0.1
69.03412	0.2
70.06576	0.4
70.99858	0.1
71.18282	0.1
71.18597	0.1
77.00895	0.2
81.03397	0.2
82.99850	0.1
84.04502	0.1
84.08136	0.6
85.01421	0.1
85.02905	0.4
97.02874	0.2
98.97581	0.3
101.00864	1.4
103.01846	0.1
103.02445	0.7
111.05550	0.1
113.00867	0.4
115.02425	0.9
117.03988	0.2
119.01906	5.0
120.02040	0.2
121.03500	0.4
127.02428	0.2
129.03955	1.0
131.01897	2.2
133.03445	3.4
134.03555	0.2
135.05043	0.3
137.02962	0.9
141.04002	0.2
141.06616	0.1
143.01881	0.9
143.05530	0.2
145.03433	1.5
147.01372	0.2
147.03220	0.2
147.05025	2.4
147.06126	0.2
149.02971	0.3
151.04529	0.4
153.03940	0.2
155.01892	1.6
156.02597	0.2
157.03461	1.1
159.05037	1.8
159.06316	0.5
159.07603	0.1
161.02925	1.6
161.06548	0.4
163.04498	0.2
165.06129	0.5
168.05496	0.1
168.99815	0.3
169.03436	0.2
171.04991	1.7
173.02943	1.8
173.06635	0.2
175.04524	0.9
177.06065	1.5
179.01880	0.2
183.04956	0.7
185.02954	0.3
185.06598	0.2
187.00844	0.9
187.04512	0.4
189.02426	0.3
189.06078	0.8
191.04059	0.4
193.03682	0.1
195.07082	1.1
197.02968	0.4
197.06578	0.2
199.04562	0.2
201.02441	0.2
201.06134	0.8
203.03905	0.5
203.07657	0.2
205.01952	0.2
205.05667	0.2
207.05046	0.2
211.04538	0.2
213.06027	0.4
215.00349	1.1
215.07738	0.2
218.06432	0.1
219.03667	0.2
219.07109	3.3
220.07330	0.2
221.05055	2.0
221.07188	0.1
225.06052	0.3
229.01950	0.4
231.07104	3.1
232.07356	0.2
233.05086	0.3
233.08690	0.7
235.06691	0.2
237.02753	0.1
239.06332	0.1
240.07787	0.1
245.05031	1.3
245.08707	0.2
247.02892	1.4
247.06828	0.2
249.04674	0.1
255.07034	0.9
259.06766	0.3
261.08267	1.3
265.03958	0.3
273.08206	0.7
277.07651	0.2
279.09283	1.1
289.04132	0.1
291.09457	0.1
303.09393	0.1
321.11517	100.0
322.11942	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	321.1076
Annotation	Unknow
Peak:m/z	Relative Intensity
58.61880	0.2
60.04519	2.5
69.76093	0.6
69.76522	0.7
70.02594	0.3
70.02946	5.1
70.03545	0.2
70.06585	1.2
72.08146	0.3
74.02410	1.0
78.40223	0.2
79.48996	0.2
81.07024	0.3
84.08134	0.6
86.09685	0.7
88.03977	2.3
91.05479	0.6
94.06561	0.4
101.12326	0.2
102.05531	23.3
102.18083	0.2
110.07139	0.4
116.03446	0.5
117.05778	0.2
118.06508	1.1
120.08082	0.4
122.06024	1.1
128.04947	3.8
129.10222	0.2
132.04433	2.2
136.07561	0.2
146.05991	100.0
147.04465	0.2
147.06349	2.3
148.06029	6.1
169.07530	0.2
174.05490	16.7
175.05894	0.5
192.06551	0.7
193.70642	0.2
193.91661	0.2
218.07140	0.2
243.07617	2.7
246.06648	0.2
261.08765	1.6
274.06393	0.2
275.10196	4.0
289.08307	1.6
293.11264	0.3
303.09641	1.0
303.12842	0.2
321.07486	0.4
321.10828	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	321.1119
Annotation	Betulinan A
Peak:m/z	Relative Intensity
55.01850	0.2
62.12797	0.2
67.05481	0.2
68.04305	0.2
70.06546	0.3
71.74627	0.2
75.15710	0.2
75.35454	0.2
81.03388	0.7
81.07017	0.5
84.08047	0.3
91.05443	0.5
93.07006	0.4
95.08567	0.7
103.05488	0.2
107.08528	0.5
109.02888	1.3
110.07121	0.3
115.05421	0.3
127.03871	0.6
137.05954	0.4
161.05981	0.5
165.07088	0.3
176.06143	0.3
178.07677	0.5
179.08504	1.3
189.06947	4.2
190.07753	4.0
191.08466	0.8
193.06537	0.4
200.06210	0.6
201.06981	2.0
202.07751	2.6
202.34010	0.2
203.08527	1.7
204.09332	0.5
205.06502	1.0
205.10004	0.4
206.07234	0.4
207.08043	5.1
215.08511	1.0
217.06508	1.0
218.07257	15.3
219.07979	4.0
221.05972	0.5
222.24596	0.2
228.05655	0.6
229.06456	9.7
230.07227	3.2
231.08057	1.6
232.08800	1.3
233.05917	0.5
233.09583	3.3
234.06721	1.0
235.07520	12.1
236.08041	0.9
243.08008	0.8
245.05986	3.1
246.06758	21.6
247.07506	9.0
248.08186	0.8
249.09023	2.0
250.09883	2.8
251.10640	0.3
257.05969	6.2
258.06729	4.7
259.07495	2.9
260.08237	1.6
261.09091	39.4
262.06262	0.8
262.09634	2.5
263.07007	13.2
264.07376	0.9
265.08533	0.4
265.12143	0.3
271.07648	0.4
272.08292	0.4
273.05457	2.8
273.09015	1.1
274.06235	13.9
275.06976	8.2
275.10529	0.5
276.07462	0.8
277.08588	7.1
278.09341	14.3
279.09860	1.2
286.65472	0.3
288.07837	1.7
289.08566	40.4
290.09290	10.8
291.03210	0.4
291.06564	7.3
291.09976	1.2
292.06802	0.4
292.10837	0.3
293.08337	0.3
293.11615	3.1
303.10153	1.3
305.08047	2.6
306.08847	23.4
307.09152	1.1
321.11197	100.0
322.11517	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	321.1019
Annotation	N4-Acetylsulfamethazine
Peak:m/z	Relative Intensity
52.94199	0.5
64.06532	0.4
69.07043	0.5
71.15312	1.1
81.07060	0.5
94.14699	0.5
95.08609	0.6
98.21104	0.6
176.37578	0.5
213.00887	0.5
242.11440	0.5
292.09930	12.3
293.10687	5.7
294.11078	0.6
320.09427	11.9
321.10190	100.0
322.10516	7.8
343.40823	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1076
Annotation	Unknow
Peak:m/z	Relative Intensity
55.46982	0.3
60.04521	3.4
61.17724	0.3
69.57601	1.8
69.58028	1.2
70.02593	0.5
70.02946	6.5
70.06581	1.2
74.02420	1.4
84.08120	0.4
85.02901	0.7
85.89162	0.3
86.09706	0.5
88.03981	2.4
91.05470	7.8
92.61237	0.3
102.05533	23.6
110.07144	0.4
116.03430	0.9
118.06527	1.0
128.04933	4.0
130.06583	0.3
131.04880	0.5
132.04451	1.8
146.05994	100.0
147.06329	3.2
148.06038	6.3
155.41241	0.3
174.05492	19.2
175.05846	0.7
187.03935	0.5
205.04895	0.4
243.07652	2.8
261.08673	1.6
275.10196	4.1
289.08170	1.2
303.09760	0.5
305.70621	0.3
321.07483	2.6
321.10849	1.5
330.84995	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.0946
Annotation	Unknow
Peak:m/z	Relative Intensity
53.07787	2.6
56.96556	3.6
70.04428	11.2
70.66879	2.1
85.02899	4.2
97.02831	2.5
98.21340	5.1
98.97549	14.4
101.00875	20.8
113.00843	6.8
115.02432	14.5
116.98601	2.8
117.03979	3.1
119.01913	65.5
120.67155	2.5
129.03975	2.7
131.01894	25.3
133.03459	29.0
137.02925	11.0
143.01842	8.6
145.03459	11.5
147.05009	7.9
149.02905	4.0
151.04466	4.8
155.01868	15.8
157.03493	4.1
158.99651	3.8
159.05019	19.6
161.02965	17.4
163.04503	3.4
165.68839	2.5
168.99834	7.3
171.05014	17.5
173.02975	22.5
173.06543	4.7
175.04518	4.5
177.00816	3.0
177.02274	3.1
177.04488	3.6
177.06050	9.2
183.05052	3.1
185.02957	4.0
187.00912	20.3
189.02461	8.4
189.06052	10.3
191.03990	9.5
195.07176	3.3
196.99342	3.9
201.02350	2.6
201.06024	6.1
203.03989	6.1
205.01837	4.4
213.06075	3.8
215.00319	19.1
219.03450	3.3
219.07115	11.5
221.05034	28.2
229.01958	8.2
231.07172	5.5
233.01479	4.0
233.05026	9.3
237.02786	4.8
243.07193	3.6
245.05109	4.5
247.02983	33.4
261.08221	31.1
265.04166	4.6
279.09290	35.9
289.04086	5.2
305.61456	2.5
321.11478	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.0856
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88761	1.3
56.05030	2.1
56.96304	2.4
56.96561	29.8
60.13848	1.2
67.05501	2.0
69.03414	3.4
69.07061	4.4
70.06582	9.8
70.53577	5.6
70.95848	1.9
72.08130	2.5
72.93783	3.3
74.95327	1.3
74.97611	1.9
81.03406	2.8
81.07019	1.7
84.04498	3.5
84.08141	5.2
84.96018	10.8
85.02883	7.3
86.09674	2.2
90.94818	3.2
91.05473	1.7
93.07005	1.5
95.05012	1.2
97.02877	2.5
97.96793	1.5
98.97572	73.5
101.07159	1.4
102.97102	2.2
103.00417	1.2
105.06988	1.3
106.74396	1.3
109.02914	1.1
110.07142	1.8
110.97558	11.0
114.10293	1.3
115.97870	1.3
116.98615	59.0
119.04977	1.5
123.04401	1.2
127.03931	1.5
128.98592	24.1
130.06496	1.4
131.00194	3.3
131.59589	1.2
131.72334	1.4
132.95848	3.6
133.01709	1.5
134.05971	2.4
134.99648	30.0
138.30852	1.2
140.00188	2.0
140.07068	1.4
140.98622	3.1
142.03226	3.7
143.00151	4.8
144.95726	2.6
144.98079	2.9
146.99629	22.5
147.04401	5.5
149.01161	3.0
150.96904	3.1
152.98610	7.5
153.00684	3.3
158.01244	1.7
158.97464	6.7
158.99625	16.4
160.04300	1.8
161.01234	13.2
162.96877	3.5
162.99178	4.7
165.00679	4.3
166.08705	3.4
170.99644	15.7
176.98427	3.3
176.99146	1.7
177.00691	21.1
177.02080	2.7
179.02216	1.7
181.00175	1.4
186.96863	2.0
189.00690	7.8
195.01781	1.9
198.97133	1.3
200.02332	1.8
201.00620	2.6
201.04321	1.4
203.03418	1.4
206.08411	1.8
210.56395	1.7
216.97955	4.1
218.99614	2.4
219.01689	22.1
219.05127	1.7
231.03079	2.5
234.98982	19.0
237.02812	46.8
242.03377	2.1
253.00020	2.9
255.03731	3.2
258.00604	1.8
260.04407	1.7
261.06268	9.7
267.11127	1.9
279.07483	100.0
280.08121	2.5
285.12335	3.6
297.08545	19.4
302.09048	11.3
303.04910	1.6
303.09891	1.9
303.13193	2.6
320.09955	2.9
321.08597	58.3
321.14923	2.3
342.19104	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.0753
Annotation	Dehydrorabelomycin
Peak:m/z	Relative Intensity
53.03930	0.3
55.01842	0.5
55.05485	0.7
57.03405	0.2
65.03921	0.4
67.05189	0.2
67.05496	2.2
68.99785	1.4
69.03412	0.5
69.07040	0.7
70.06583	0.2
71.04971	0.5
71.73425	0.3
72.08130	0.5
72.45102	0.2
73.72101	0.2
77.03930	0.3
79.05483	1.6
81.03392	0.6
81.06606	0.2
81.07040	1.9
83.04945	0.5
83.08616	0.2
84.04445	0.2
84.08100	0.2
91.05474	1.7
93.03399	0.3
93.07030	1.6
95.04402	0.3
95.04958	3.6
95.08602	1.6
97.06540	0.4
97.10140	0.5
101.05983	0.2
103.05460	2.2
105.02670	0.3
105.03371	4.2
105.07010	1.1
107.04253	0.2
107.04942	3.5
107.08557	1.3
109.06480	0.4
109.10138	1.1
111.08088	0.3
116.44541	0.2
116.80690	0.2
117.03344	0.2
119.04909	0.7
119.08537	0.8
121.02807	1.1
121.06472	0.3
121.10125	0.8
123.04394	0.3
123.08039	0.2
123.11659	0.6
125.09612	0.4
129.03345	4.9
131.08557	0.3
133.10071	0.5
135.04387	2.8
135.07983	0.3
135.11665	0.7
137.05983	0.2
137.09540	0.4
139.11197	0.2
145.02812	1.9
145.10110	0.7
147.04359	0.8
147.08014	0.3
147.11673	0.5
149.02339	0.8
149.09491	0.2
149.13179	0.3
151.11165	0.2
153.05469	0.2
157.10120	0.2
157.25995	0.2
159.11671	0.4
161.13292	0.2
163.03891	11.6
164.04198	0.2
165.06963	0.4
165.09155	0.4
165.12848	0.2
166.07791	0.2
167.03378	0.4
167.08490	0.3
172.03700	0.2
173.02287	0.4
173.13226	0.3
175.11182	0.2
176.01015	0.5
178.07756	0.5
179.08577	0.3
181.04933	7.9
190.07697	0.3
191.03358	5.3
191.08583	0.7
194.02116	0.4
194.07254	0.4
195.08022	0.2
197.04491	0.2
197.09605	0.4
209.04466	1.0
213.05446	0.3
218.07317	0.2
219.08038	0.3
222.06804	0.5
223.07555	2.0
226.04697	0.2
229.05223	0.7
236.08327	0.3
237.09052	1.9
238.09113	0.2
239.07185	0.3
247.07506	1.2
250.06194	0.7
251.06990	2.1
254.05644	0.4
263.07004	3.6
264.07629	0.6
265.08566	41.8
266.08908	1.5
267.06610	0.5
275.06998	1.6
278.05716	2.5
279.06335	1.3
289.08487	0.5
291.06540	1.2
292.07269	1.9
293.08044	93.3
294.08365	3.5
297.07623	0.3
303.06528	0.3
303.13416	0.3
303.23151	0.7
321.07535	100.0
321.24240	1.2
322.07858	4.4
334.29044	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	320.124
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	1.0
56.05023	2.6
57.92554	0.7
60.04529	0.8
61.01142	0.7
69.68360	3.9
70.06582	7.1
72.08144	5.4
79.05482	0.6
81.03421	1.0
83.06094	0.8
84.04493	11.4
84.08133	5.5
86.09716	4.3
87.05572	0.9
91.05451	1.1
101.07098	1.2
102.05530	5.2
104.05297	1.3
110.02724	2.0
110.07138	4.2
116.07085	0.8
116.61718	0.7
116.69202	0.6
118.06522	1.4
120.08099	1.5
128.04971	2.1
129.06656	1.0
129.10176	1.8
130.04997	5.3
130.06506	0.8
131.06851	1.0
132.04478	1.3
132.08005	0.8
136.07562	1.0
146.05995	100.0
147.06345	3.0
147.07623	2.1
148.27922	0.8
156.66154	0.7
174.05496	23.0
175.05774	0.9
175.08714	0.7
189.07399	1.1
190.05293	1.4
191.08138	21.5
192.06528	2.3
192.08246	0.8
195.08835	1.3
217.13701	0.9
257.09274	0.8
274.11905	2.0
275.10245	6.5
278.13239	2.4
301.02090	0.6
302.11365	3.0
303.09814	2.8
320.12222	1.6
320.15463	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	320.1337
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	4.4
56.05029	2.9
56.31779	2.3
56.96556	2.7
57.03417	3.1
58.06580	3.1
60.04526	14.9
61.02908	3.5
67.05485	10.1
69.03429	15.6
69.07061	100.0
69.75092	18.6
70.02925	4.5
70.06585	26.1
70.07380	2.6
71.04961	3.4
72.08140	6.3
74.06068	6.9
80.36113	2.2
81.03392	10.1
83.84061	2.1
84.04508	3.9
84.08142	12.5
85.02896	39.0
86.09699	50.7
87.05575	6.7
91.05466	4.6
93.07018	3.4
95.04955	9.3
96.04455	3.9
97.02885	24.8
98.06039	3.4
99.04406	3.2
105.88138	2.5
107.04900	4.0
108.08067	2.4
109.02878	6.0
109.10132	2.4
109.90876	2.4
110.05958	2.4
110.07140	8.4
112.07606	28.3
113.05961	3.7
116.07072	20.8
120.06561	5.6
120.08113	3.6
122.06002	6.5
123.04379	4.9
127.03895	9.4
128.10718	4.0
131.99409	3.0
132.95793	2.7
133.06459	8.0
136.07545	2.8
137.02457	2.9
138.05528	3.1
140.07050	40.2
145.06473	7.8
147.04381	11.9
157.05014	5.3
158.05305	4.5
158.08109	85.9
172.07564	3.6
173.05957	5.4
173.12846	53.9
174.09167	5.8
176.06921	2.4
182.08075	19.0
200.09181	17.5
201.05286	3.2
201.12335	14.5
206.08203	3.4
213.10175	2.9
214.08630	13.0
216.10185	22.7
217.10510	3.1
224.09192	5.9
242.08038	23.8
257.12817	3.9
260.09195	8.4
267.11127	5.6
278.13321	2.7
285.12164	5.7
302.12088	3.3
302.17065	8.9
303.13202	10.7
320.11212	8.7
320.14233	6.1
321.11035	5.8
321.14368	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	320.1159
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.5
55.05507	1.4
57.07061	3.2
59.04988	2.6
59.84519	0.7
67.05496	4.2
68.04987	0.8
71.19320	1.9
74.00639	1.0
74.02435	1.4
79.81062	0.6
81.03408	11.0
81.07050	3.6
82.06582	0.8
83.04970	7.9
85.06528	4.7
86.09701	1.1
90.00122	4.0
92.01694	23.0
95.04964	5.1
97.05270	1.0
103.07581	2.7
109.06521	1.4
110.02728	100.0
110.06035	1.0
111.03146	0.9
112.07629	0.7
113.05981	1.1
124.07574	8.1
125.08366	2.0
131.07022	0.9
136.00618	3.9
138.09068	1.2
139.09915	5.0
142.08611	2.3
156.10184	0.8
157.10986	2.4
171.08879	0.9
188.07108	1.1
189.09961	1.7
190.05315	81.5
191.05682	2.1
204.06914	1.1
216.03191	2.0
222.07973	2.5
256.09991	0.8
278.13318	1.6
284.09521	5.5
302.10516	9.4
320.11636	13.2
320.15222	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	320.116
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.5
55.05500	0.7
55.42918	0.8
56.05016	1.4
57.07069	5.2
59.04987	3.0
61.46866	0.6
62.73891	0.6
63.65105	0.6
67.05497	3.3
68.05038	0.8
68.43840	0.7
69.07050	1.2
70.06580	4.2
70.70406	2.0
71.06909	0.6
72.08138	0.7
74.02434	1.2
79.05493	1.0
81.03406	13.0
81.07050	4.9
82.06540	0.7
83.04968	9.0
84.04513	0.9
84.08138	2.0
85.06532	6.0
86.09704	1.9
88.41298	0.6
90.00124	4.2
92.01694	26.4
95.04961	5.3
97.05195	0.7
102.05553	1.2
103.07600	3.4
109.06506	2.2
110.02731	100.0
111.05495	0.6
113.06000	0.9
116.07106	0.7
120.01064	0.7
120.08089	1.0
120.20119	0.7
124.07561	6.9
125.08377	0.9
126.06637	0.7
129.10202	0.7
130.06493	0.7
130.08708	0.7
131.07022	1.0
132.04477	0.8
133.04825	0.8
134.85735	0.7
136.00630	2.6
138.09167	1.2
139.09865	4.4
142.08630	1.8
146.06024	1.0
149.44749	0.6
151.05978	0.6
154.61948	0.6
156.10251	1.0
157.11012	3.1
158.17888	0.7
188.07182	1.1
190.05312	74.6
191.05730	1.6
204.06868	2.0
222.07933	2.5
232.07959	2.9
234.14238	0.9
256.10098	0.9
260.12347	3.3
277.13004	1.2
278.13205	11.2
284.09540	4.9
302.10544	9.7
303.12744	5.8
320.11609	14.4
320.15427	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	319.3034
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00316	0.4
55.05504	3.8
56.04787	0.6
56.05032	6.2
56.05839	1.3
57.03421	0.8
57.05372	0.9
57.07071	3.3
58.06578	0.5
58.07412	0.9
60.04518	100.0
61.04223	2.2
61.04855	13.3
61.05133	0.6
67.05497	3.8
68.05014	0.5
68.05833	0.6
69.07059	3.6
70.06592	0.7
70.07389	1.1
70.14614	1.4
71.08621	1.6
72.04510	0.8
72.08970	0.6
74.06068	2.1
75.06383	0.7
79.05497	1.5
80.05820	1.1
81.07042	2.3
82.06561	0.8
82.07398	1.2
83.04940	0.7
83.06920	0.4
83.08603	2.0
84.08935	1.3
85.10184	0.7
86.06054	0.8
87.06393	0.5
90.05551	1.0
93.07046	1.0
94.07377	0.6
95.08599	2.1
96.08134	0.5
96.08931	1.1
97.10186	0.9
98.10502	0.8
98.21220	0.8
107.08595	0.8
108.08916	0.5
109.10163	0.8
110.10509	0.6
121.10091	0.6
122.10466	0.6
124.11996	0.4
136.12016	0.8
173.78938	0.3
179.14549	0.4
253.27100	2.2
255.28804	1.3
257.26730	0.6
265.27194	3.1
266.25577	0.9
271.28265	2.5
283.28226	19.1
284.28708	0.6
301.29282	22.4
302.29340	0.4
319.04385	0.4
319.30338	48.5
320.30618	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.2264
Annotation	Ichthyouleolide
Peak:m/z	Relative Intensity
53.03722	0.7
53.03941	4.6
55.01866	5.0
55.05503	9.3
57.03431	2.5
57.07064	1.0
59.42667	0.6
60.04518	0.8
60.64081	0.7
65.03930	3.3
66.04739	0.7
67.05497	25.2
69.03462	1.7
69.07059	5.6
69.56442	6.3
70.06577	0.7
71.04978	1.9
79.05482	41.1
80.05798	0.9
81.03410	4.4
81.07047	100.0
82.07388	1.1
83.04970	2.3
83.08614	3.6
85.06532	1.0
91.05471	18.4
93.07034	20.3
93.07594	1.4
95.04953	33.2
95.08593	9.9
97.06510	3.5
97.10155	2.4
99.08106	0.8
103.05468	1.1
105.03331	0.8
105.04517	0.8
105.07016	16.3
106.57645	0.6
107.04942	10.0
107.08576	12.1
109.02902	0.9
109.06506	95.9
109.10165	2.8
110.06849	1.4
110.10593	0.8
111.08069	2.1
115.05433	1.9
116.06263	1.1
117.07009	10.8
119.05007	0.7
119.08556	11.4
121.06501	6.9
121.10114	5.7
123.08057	3.0
125.09603	1.7
128.06229	2.0
129.06970	4.4
130.07794	0.7
131.08543	10.1
133.06445	3.6
133.10114	5.7
135.08041	13.0
135.11696	3.4
137.05927	1.2
137.09595	2.1
142.07811	0.7
143.08521	4.3
145.06500	1.4
145.10115	9.9
147.08031	6.4
147.11679	2.1
149.09622	6.9
149.13248	1.9
153.01814	2.8
155.08527	1.1
157.10135	2.9
159.08061	1.3
159.11679	4.0
161.09589	12.9
161.13257	1.1
163.11151	4.7
169.10152	1.2
171.11609	3.3
173.09618	1.5
175.11154	2.3
175.57651	0.7
177.12732	1.7
181.10213	0.8
185.13235	1.6
189.12746	2.0
191.10623	1.8
195.11765	0.9
199.11206	1.1
199.14731	0.8
217.15950	2.0
227.17892	2.2
237.16327	1.1
245.04453	1.8
245.18987	1.5
255.17372	3.0
257.26569	0.8
273.03918	1.0
273.18430	17.9
301.21545	0.7
319.04465	13.0
319.22668	15.2
319.30362	2.4
320.04776	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.2266
Annotation	Ichthyouleolide
Peak:m/z	Relative Intensity
53.03939	6.0
55.01875	8.7
55.05508	44.1
57.03410	3.8
57.07084	4.0
60.04518	27.1
61.04866	3.9
63.72649	3.5
65.03917	6.6
65.25366	3.4
67.05186	4.8
67.05500	52.5
68.99764	4.7
69.07068	28.9
69.80604	25.4
70.06558	4.5
71.04977	7.9
74.58048	3.2
79.05488	63.0
81.06606	6.8
81.07051	76.6
83.04973	11.7
83.08627	20.1
85.06523	4.7
88.07605	8.7
89.01836	4.0
89.07932	4.7
91.04929	5.8
91.05476	90.9
93.07037	67.9
95.04945	16.5
95.08606	44.9
97.06517	12.5
97.10151	10.6
103.05468	5.1
105.07034	65.9
107.04955	9.4
107.08591	38.3
108.24075	3.7
109.06510	12.6
109.10131	9.9
111.00787	4.0
111.08041	4.1
116.06266	5.5
117.07028	41.3
119.08566	44.4
121.06502	12.4
121.10143	27.8
123.08056	13.0
125.09581	6.8
128.06194	12.0
129.07021	27.2
130.07747	6.2
131.08563	93.4
133.06459	9.2
133.10095	23.3
135.08035	14.0
135.11674	13.7
137.09598	6.6
139.11176	6.4
139.60837	3.6
140.87813	4.1
141.06947	5.7
141.43253	3.5
142.07770	9.4
143.08572	60.7
145.10123	71.2
147.08060	16.0
147.11684	12.7
149.09593	13.7
149.13264	4.4
153.01834	24.5
155.08539	5.7
157.10081	22.9
159.08072	8.4
159.11720	24.1
161.09593	17.9
163.11191	7.8
165.12723	3.9
169.10121	12.2
171.11713	18.3
173.09598	5.9
173.13257	6.8
175.11174	9.2
177.12729	7.5
181.10117	7.4
183.11642	6.8
185.13283	7.6
189.12669	3.5
195.11665	14.7
199.11220	4.7
201.12798	4.2
213.16226	3.9
217.04935	6.9
227.17906	7.5
237.16391	14.9
245.04369	11.0
255.17308	11.4
257.26392	4.7
271.28244	6.3
273.03897	7.4
273.18311	37.1
283.28281	4.2
291.23215	4.7
301.21381	4.6
301.29239	4.5
319.04465	100.0
319.19293	4.3
319.22485	13.3
319.24881	12.1
319.30225	38.5
320.04816	10.3
320.22876	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	319.1649
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	2.0
56.05033	3.2
57.03438	3.6
57.05820	0.6
60.04484	0.5
60.05630	1.4
60.77955	0.5
67.05486	1.4
68.04984	0.9
69.03377	0.6
69.07053	2.3
69.96921	3.2
70.06579	4.3
71.04965	1.1
72.08139	5.2
73.08483	0.5
79.05483	2.3
81.03445	0.7
81.07043	5.0
82.06545	1.4
83.06086	2.6
84.04487	1.4
84.08135	1.7
85.02876	0.9
86.09699	3.0
87.05573	1.0
91.05470	1.3
93.06997	1.1
95.04954	0.8
95.06084	1.3
95.08595	1.3
96.08101	1.2
98.09679	0.9
105.07052	0.7
106.06513	1.2
107.08568	1.1
109.01167	0.5
109.06459	0.6
110.07133	1.1
111.00815	0.7
111.05561	3.0
112.08676	0.6
113.07117	1.7
114.10278	1.1
116.07102	0.9
117.05768	0.8
117.06967	0.6
118.06548	2.4
120.04427	1.3
120.08038	1.3
121.10090	1.2
126.06633	1.9
127.07462	0.6
128.07065	0.7
130.05005	0.9
130.06511	29.5
130.08595	1.5
131.06006	0.7
131.06877	1.1
132.04437	7.0
132.08067	1.9
134.05980	1.8
135.11600	0.7
140.08188	0.8
142.08571	0.5
143.06033	0.6
143.07231	1.1
144.08099	2.7
146.06032	3.3
148.03828	0.8
148.07483	0.9
150.05452	3.2
151.06116	2.9
154.08537	0.5
156.06805	8.6
156.08080	0.8
157.07597	59.1
158.06024	4.8
158.08119	0.9
158.09608	0.9
159.09195	1.2
159.11336	0.9
160.07564	3.1
160.11612	1.1
167.07166	0.7
168.08064	1.5
169.07625	5.7
170.06001	1.2
170.08337	0.7
171.09129	1.3
172.07420	0.7
173.12932	0.7
174.05472	1.2
174.09128	1.4
174.13136	0.5
175.08672	1.1
176.07007	1.4
182.08388	1.4
182.09763	0.7
183.09151	2.1
184.09929	1.8
185.07091	3.5
185.10709	4.3
186.09113	0.7
187.08728	3.4
188.07076	1.6
189.06569	0.7
195.09193	0.9
197.07094	1.1
197.10707	2.8
198.07877	1.1
199.08661	1.5
199.12395	1.3
200.10677	0.8
202.07367	2.4
202.09709	1.7
203.08130	49.7
204.08398	0.8
209.10744	1.4
210.11618	0.8
211.08647	2.0
211.12212	2.5
212.07379	0.8
212.09308	4.5
213.10254	3.1
213.13869	0.8
225.10220	2.7
226.10976	8.7
227.11765	11.1
228.10234	3.8
229.13348	1.6
230.09315	1.1
231.07623	13.2
231.09804	1.1
233.14006	3.2
239.11755	1.6
240.19493	0.8
241.09666	0.8
245.12836	0.9
255.11299	5.5
257.10309	1.6
257.12802	23.1
258.13107	1.1
259.11917	10.1
260.10239	0.6
270.09982	15.9
271.10715	3.7
272.11551	12.5
273.12274	8.2
275.13901	1.8
277.12930	34.4
278.13321	1.8
283.10767	6.6
283.14084	0.9
284.11273	1.2
301.11795	78.3
301.15448	100.0
302.12445	24.4
302.15753	4.0
303.12787	0.7
319.04718	3.9
319.12640	14.3
319.15466	25.1
320.12625	0.8
320.15994	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.151
Annotation	Unknow
Peak:m/z	Relative Intensity
55.16939	0.8
56.04965	8.0
56.05263	1.6
57.05743	2.4
59.06064	1.0
60.05579	2.5
60.05845	0.8
66.23502	0.7
69.04500	1.5
70.06514	4.1
70.42294	1.1
70.42651	3.1
79.05428	0.8
83.06088	4.0
95.06084	4.1
98.07117	0.8
104.04912	0.9
105.05695	0.9
106.06502	1.1
111.05551	9.8
111.78342	0.7
112.05040	0.8
112.08652	1.7
113.07124	5.9
118.06474	0.9
120.04428	4.2
122.15445	0.7
123.05502	1.2
126.06655	4.9
127.07324	2.1
128.08125	1.0
132.04439	17.0
132.07977	2.2
134.06009	4.5
137.04601	2.3
140.08165	4.2
148.03857	3.0
150.05486	10.1
151.06140	10.2
162.05449	1.0
165.06456	1.7
174.05437	1.0
176.07013	2.6
187.08649	6.5
189.06554	2.0
190.04912	0.9
195.17744	0.8
196.66656	0.8
202.09691	6.3
203.08116	5.1
216.11333	1.0
230.09140	4.8
231.07622	34.7
232.10728	1.7
233.09215	2.1
233.13948	8.6
234.12303	0.9
236.61858	0.8
242.09193	2.7
246.08658	1.1
249.13235	0.8
257.10229	6.7
259.09183	1.6
259.11899	29.2
260.10217	2.5
260.12527	1.0
267.39157	0.8
277.12933	100.0
278.13205	3.7
284.11404	7.0
301.14099	2.3
302.12433	58.4
303.12720	3.2
319.15131	91.3
320.15356	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	319.1509
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05486	0.8
56.05032	7.6
56.64262	0.8
57.03428	0.8
57.05798	1.4
58.06578	0.9
60.05624	1.8
67.05499	1.1
69.04546	1.9
70.06597	4.2
70.50555	0.8
71.04951	0.9
71.74553	1.1
72.08139	7.0
79.05492	1.5
81.04495	0.9
81.07054	1.1
83.06094	3.1
84.04469	1.0
84.05309	0.8
84.08139	2.2
84.36726	0.8
85.02883	3.2
86.09691	1.3
87.05567	1.1
89.93967	0.8
91.05479	2.0
95.04966	0.9
95.06061	4.3
95.08593	1.1
97.02835	0.8
97.03969	1.0
97.07664	0.8
98.09660	2.3
105.03371	1.0
105.07010	1.2
106.06512	1.2
110.07140	1.2
111.05546	9.0
112.08742	1.0
112.11238	1.0
113.07105	4.1
117.05742	1.1
118.06523	1.6
118.18034	0.7
120.04440	3.2
120.08101	1.4
123.05523	1.5
126.06616	5.0
127.07426	1.9
130.06534	3.2
132.04433	13.6
132.05339	0.9
132.08064	1.5
134.05975	3.9
137.04654	1.9
138.09151	0.9
140.08179	1.9
143.24779	0.7
146.05995	1.4
147.04395	2.6
148.03937	1.9
150.05484	7.6
151.06113	7.9
156.10199	1.8
157.08594	1.1
157.10538	2.6
158.05984	3.1
164.07062	1.1
165.06590	0.9
168.08788	0.7
176.07060	1.4
177.05438	1.0
187.08665	6.0
188.06995	1.0
189.06526	1.1
198.05495	1.6
202.09688	4.7
203.08180	5.0
212.06967	1.3
216.11336	1.0
218.55455	0.8
227.11794	0.9
230.09195	3.7
231.07629	30.4
232.10715	1.7
233.09262	1.7
233.13976	7.8
240.19521	4.9
241.09738	1.7
242.09282	2.1
254.08116	1.6
255.11066	1.0
257.10284	4.7
257.22159	2.1
259.11890	28.8
259.14575	1.6
260.10150	1.3
272.09213	2.7
273.12643	1.4
277.12930	100.0
278.13275	2.2
283.10770	1.2
283.23798	1.3
284.11420	3.8
301.11508	7.1
301.14670	1.7
301.25235	1.1
302.12439	65.0
303.12769	2.3
312.57013	0.9
319.15161	87.6
320.15442	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.1384
Annotation	PD-160725 2-hydroxyethanesulfonate
Peak:m/z	Relative Intensity
53.03928	2.6
55.01863	2.2
55.05509	3.7
56.05017	0.9
57.03429	4.9
61.02914	9.7
66.94363	0.6
67.05136	1.4
67.05495	26.7
68.05838	0.7
69.03422	19.5
69.07042	1.7
70.06587	8.9
70.17882	2.3
71.01345	1.0
71.04977	2.5
72.08143	8.9
73.02909	4.6
76.18580	0.8
79.05466	3.6
79.17149	0.7
81.03411	7.9
81.07026	2.4
83.04955	2.3
83.06062	0.8
83.59044	0.8
84.04482	1.4
84.08148	5.2
84.75307	0.8
85.02892	100.0
86.03223	0.9
86.09700	14.8
87.04456	1.9
88.04020	1.0
91.03952	5.0
91.05470	5.6
93.07031	27.3
95.04942	2.9
95.08595	2.8
97.02882	21.8
98.21315	1.1
98.84532	0.7
99.04455	4.3
103.05470	1.4
104.69867	0.8
105.06998	1.8
107.04921	1.3
107.08575	2.0
109.02851	7.5
109.06507	1.6
109.10117	0.8
110.07148	5.9
110.94183	0.7
111.04429	1.4
111.08067	56.9
115.03942	0.9
116.07085	1.8
116.89467	1.0
118.06451	0.8
119.04922	1.8
119.08591	1.2
120.08085	5.5
121.06494	5.1
121.10106	2.4
123.08077	1.0
127.03897	20.9
129.06992	1.1
129.10216	3.0
130.06479	1.3
131.08524	1.1
132.04378	0.8
133.06490	0.9
133.10039	0.8
137.05986	3.9
139.07535	7.0
142.06578	0.9
143.08517	0.8
143.52145	0.9
145.04936	21.2
145.06154	1.3
145.10095	1.3
147.08008	1.4
149.05890	0.8
156.07658	5.1
157.08667	1.7
159.08057	0.8
160.07446	0.9
163.03873	2.5
163.06052	1.3
163.07474	1.3
168.22635	0.8
170.05981	1.0
175.07458	1.0
185.16438	2.3
209.15579	0.8
210.05774	1.7
213.09814	2.8
223.09636	1.4
231.07663	1.8
238.05276	1.5
258.15265	0.9
259.11765	1.1
265.10831	1.1
273.12219	2.1
277.12967	5.1
301.11630	1.5
302.12451	3.2
319.04544	2.3
319.15509	4.9
319.18567	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.1287
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05470	0.8
56.05035	1.9
57.05812	0.5
60.05620	0.7
65.91898	0.4
67.05481	1.3
69.07035	0.7
70.06572	2.1
71.04982	0.5
71.27039	1.0
72.08154	1.2
79.05465	0.7
81.03426	0.5
81.07031	0.5
83.06098	1.5
84.04488	0.8
84.08124	1.0
85.02894	0.7
86.09700	0.9
91.05473	0.9
93.07030	1.1
95.06079	1.1
95.08588	0.6
105.07021	0.4
106.06522	0.8
111.05554	2.2
111.11702	0.4
112.08735	0.7
113.07101	1.9
120.04459	1.0
121.10139	0.5
126.06623	1.7
127.07413	0.5
130.06453	0.6
132.04443	4.8
132.08054	0.5
134.05984	1.4
136.07617	0.4
137.04588	0.4
140.08145	0.8
148.03853	1.0
150.05476	2.4
151.06154	2.6
157.07550	0.9
157.08675	0.4
159.09175	0.4
167.07100	0.5
169.07635	0.7
170.08325	0.5
171.09172	1.9
171.50668	0.5
174.09106	1.0
177.05353	0.5
182.09779	0.5
183.09239	0.9
184.09991	2.0
187.08652	1.8
193.07533	0.5
194.08398	0.6
197.10614	0.5
198.07843	1.4
199.08673	1.7
199.12289	1.8
200.10654	1.3
202.09724	0.6
203.08124	2.0
209.10678	1.2
210.09302	0.6
210.11440	0.6
211.08562	2.1
212.09378	5.1
213.10205	3.4
225.10196	4.2
226.10980	10.0
227.11771	13.5
228.10201	4.9
228.12215	0.8
229.09769	1.2
230.09262	1.3
231.07628	9.4
232.10855	0.6
233.13940	2.4
234.12314	0.5
237.10089	0.8
239.11771	0.5
241.09660	0.6
242.09421	0.5
245.12834	0.6
254.10481	0.5
255.11284	7.4
257.10254	1.2
259.11908	7.7
270.09976	17.5
271.10638	2.9
272.11536	14.8
273.12305	8.7
274.12656	0.6
277.12936	29.7
278.13174	0.8
283.10751	7.5
284.11304	1.9
301.11795	100.0
302.12399	22.2
303.12521	0.7
319.12711	20.6
319.15366	16.4
320.12839	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.1175
Annotation	Evofolin B
Peak:m/z	Relative Intensity
51.01795	0.7
53.03939	2.4
53.63828	0.9
55.01857	1.3
55.05491	1.3
56.05024	2.7
60.04506	1.3
65.03931	2.0
67.05521	4.3
68.48309	0.8
69.99421	4.2
70.02940	0.9
70.06586	9.4
71.04971	0.9
71.06910	0.8
72.08137	3.0
79.05482	1.7
81.03406	5.0
81.07059	1.4
82.03740	1.0
83.06074	1.4
84.04521	1.1
84.08144	4.4
86.09683	3.4
89.03912	1.9
91.05489	4.1
93.07031	1.7
95.04957	2.9
95.06046	0.7
95.08601	1.6
102.77571	0.8
103.05477	2.4
105.07042	1.6
106.06561	1.5
107.01244	1.0
107.04955	1.4
107.08595	1.5
108.02102	2.8
109.02924	1.0
109.10143	1.1
110.07146	3.5
111.05559	1.5
112.08714	1.0
113.07122	1.1
116.07095	3.1
116.96718	0.9
117.03365	3.4
120.08100	4.9
121.06512	3.7
129.10208	2.7
130.06567	2.5
131.04871	1.2
132.04443	3.1
134.03586	2.3
135.04372	2.4
136.07639	1.1
136.66473	0.9
137.05974	8.4
141.05490	5.0
146.06062	1.8
149.05968	71.5
150.05417	1.2
151.03900	74.1
151.04994	7.1
151.07533	2.2
152.04231	1.4
152.06218	2.3
153.01898	1.0
153.05580	1.7
153.06976	8.2
158.04114	0.9
158.06010	1.2
158.22176	0.9
161.05980	1.3
167.07054	1.2
177.05457	100.0
178.05832	3.6
181.06470	8.8
182.06767	1.0
187.08722	1.9
195.08069	1.6
197.06088	1.1
198.06705	1.6
203.08043	1.4
209.05962	3.0
211.06165	1.0
213.09082	6.4
221.09222	2.6
231.07608	5.8
233.14018	2.3
237.05557	1.0
239.05534	1.4
241.08536	7.8
242.09358	1.7
257.10455	1.3
259.11938	5.8
269.07941	2.1
273.11163	15.3
277.12933	20.1
283.09674	1.5
291.08881	2.1
301.10730	7.6
301.13876	1.1
302.12463	14.4
319.04413	1.3
319.09158	0.8
319.15106	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	319.1171
Annotation	Evofolin B
Peak:m/z	Relative Intensity
51.27169	1.1
53.03928	1.3
54.82273	0.9
65.03931	2.4
65.55235	0.8
67.05490	3.0
69.03404	1.2
70.06575	3.6
71.32336	0.8
71.76044	1.7
76.61962	0.9
79.05490	1.6
81.03387	1.4
83.04926	0.9
84.08129	1.8
85.02912	2.0
86.09683	2.1
89.03884	2.0
91.05470	3.6
93.07039	2.1
95.04945	3.1
97.02863	1.0
99.78605	1.0
103.05452	1.8
107.04932	1.3
108.02084	3.2
110.07154	1.2
111.04445	2.2
117.03362	2.3
119.04947	1.8
120.08104	3.5
121.06476	5.0
123.04453	1.3
124.80598	1.0
125.05971	0.9
133.02858	1.5
134.03607	1.4
135.04381	1.2
136.01538	1.6
137.05972	8.3
140.88065	0.9
141.05444	3.9
146.06062	0.9
149.05959	76.1
150.06374	2.9
151.03897	80.9
151.04987	7.6
151.07526	3.2
152.04234	2.6
152.06145	2.2
153.06966	9.2
163.03915	1.2
170.07178	1.0
177.05452	100.0
178.05815	3.7
180.33707	1.0
181.06474	12.2
182.07018	1.1
183.02870	1.6
195.08073	1.7
198.06729	1.9
209.06001	3.6
213.09113	7.5
225.05446	1.3
226.06209	2.8
241.08627	7.5
253.53604	1.1
268.07257	1.0
269.07962	2.9
273.11191	14.5
279.01968	0.9
283.09787	1.6
301.10721	9.4
319.13000	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.1021
Annotation	Unknow
Peak:m/z	Relative Intensity
60.74230	0.9
68.41774	1.0
69.03430	2.1
70.06588	1.5
70.07468	5.5
81.03419	1.5
83.04974	3.1
85.02876	3.1
87.49483	1.1
88.92281	0.9
97.02872	1.7
111.04427	11.4
116.07074	1.3
120.08092	1.3
147.04378	1.2
152.53015	1.1
157.04951	100.0
158.05310	1.4
191.57773	1.1
237.02681	1.0
277.12930	2.1
301.11948	2.6
319.13522	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	319.1028
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26450	1.3
53.03932	3.2
55.01854	4.8
56.05017	2.1
56.96551	6.2
57.03418	3.8
59.04995	2.3
60.04515	1.6
61.02908	5.0
69.03419	20.3
69.07046	3.2
70.06585	8.1
70.85152	4.4
71.04984	3.5
71.06923	1.2
72.05318	1.4
72.08148	6.6
73.02897	5.4
74.99448	1.3
75.04475	4.1
79.05485	1.8
81.03403	8.1
83.01348	8.0
83.04959	3.1
83.06068	1.4
84.04485	3.8
84.08138	7.2
85.02895	26.3
85.06480	1.5
86.09696	11.5
87.04469	3.4
87.10030	4.6
91.05479	2.1
93.07020	1.9
95.04965	1.8
97.02880	23.0
98.97568	9.9
99.04445	2.6
101.02325	3.2
109.02839	6.4
110.07148	10.0
110.85046	1.6
110.97562	3.6
111.04436	12.0
111.05547	1.8
112.11224	1.4
113.05980	2.3
116.07034	2.1
116.98616	6.3
119.01851	2.3
119.04992	1.5
120.08108	2.6
121.06527	1.6
123.04392	1.5
125.02328	1.8
126.03196	1.6
127.03921	7.0
128.98611	3.9
129.10245	2.5
131.01794	1.6
132.04466	1.6
133.02843	3.2
134.99634	3.0
136.07555	1.5
137.05971	3.9
137.73474	1.2
138.05521	1.7
139.05760	2.1
139.07492	1.3
140.04665	13.2
141.01122	2.2
141.05431	4.2
143.03384	46.3
146.99591	3.7
147.04402	4.1
151.03867	1.3
156.06552	1.7
156.07758	1.4
157.04955	100.0
157.13301	2.6
158.13652	1.8
158.99623	3.2
159.06520	4.1
161.02827	2.1
162.96771	2.4
170.99698	1.5
173.12958	1.8
177.00764	2.7
184.58090	1.4
186.13120	2.5
187.01642	1.6
188.98297	1.4
189.00676	2.0
193.04362	7.2
202.04948	4.7
212.06224	4.5
213.10251	3.1
217.03900	1.3
219.01723	2.4
223.05118	1.6
229.05437	2.9
231.07631	4.3
234.98978	3.4
237.02797	5.3
241.03769	2.9
242.10559	1.7
244.05954	4.8
255.11168	1.3
259.11838	2.1
265.03867	2.3
265.06479	7.5
277.12924	10.6
279.07520	6.8
295.09372	6.2
301.11734	12.1
302.09512	1.7
302.12302	6.5
319.04379	2.3
319.09918	23.6
319.13339	16.3
319.22345	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.2997
Annotation	4-Hydroxysphinganine
Peak:m/z	Relative Intensity
54.52351	0.3
55.05505	4.3
56.05031	7.4
57.03429	0.8
57.07070	3.7
58.02959	0.4
58.06595	0.6
60.04519	100.0
60.73917	0.3
61.04850	0.4
65.49068	0.3
65.50121	0.3
67.05500	4.1
68.05029	0.6
69.03429	0.3
69.07056	4.7
70.06589	2.4
70.35168	1.6
71.04987	0.4
71.08633	2.2
72.04506	1.2
74.06073	2.6
78.93381	0.4
79.05478	2.1
81.07043	4.1
82.06578	0.7
83.04977	1.0
83.08617	3.6
83.57333	0.3
85.10168	0.9
86.06064	1.4
87.04466	0.8
88.07617	1.6
90.05557	1.0
91.05491	0.7
93.07045	1.9
95.08607	4.6
96.08126	0.4
97.06523	0.5
97.10164	1.8
102.09182	0.9
107.08600	0.8
109.10159	1.8
115.96919	0.3
121.10095	0.8
135.11653	0.5
137.33995	0.3
178.06253	0.3
187.65300	0.3
205.17033	0.4
238.25175	0.4
252.26942	1.9
254.28387	1.1
255.64294	0.3
256.26379	2.3
264.26782	2.5
265.25241	0.8
270.27847	2.4
282.27887	16.2
283.28305	0.5
291.20511	1.7
300.28943	18.5
301.29224	0.9
318.29990	43.4
319.04453	0.9
319.30167	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.2058
Annotation	Protoemetine
Peak:m/z	Relative Intensity
53.03928	1.6
55.01868	5.3
55.05507	3.5
56.05018	1.1
58.06550	0.5
65.03927	1.4
67.05494	16.0
68.05003	2.0
69.03399	1.1
69.05782	0.8
69.07067	3.3
70.06578	4.0
70.10094	1.1
70.10518	2.4
71.04979	1.3
72.04512	0.6
79.05483	20.7
80.05017	2.6
81.03412	1.7
81.07042	10.5
82.06564	1.9
83.04990	0.7
83.08611	1.3
84.04510	1.0
84.08128	1.4
84.92942	0.5
91.05460	11.7
93.05751	0.8
93.07035	11.8
94.06560	9.1
95.04950	4.4
95.08598	5.3
96.04440	0.6
96.08123	12.9
96.08808	0.7
97.06516	1.1
98.06048	1.4
103.05456	1.0
105.07013	7.6
106.06512	2.0
107.04950	7.8
107.08580	5.4
108.04480	0.6
108.08080	2.2
108.08789	0.6
109.05233	1.6
109.06512	0.8
109.10137	2.0
110.06027	0.8
110.09678	0.8
112.07594	6.2
114.00578	0.6
117.05768	0.6
117.06985	2.7
118.06522	2.7
119.08578	3.5
120.08089	12.6
120.08878	0.6
121.06503	1.9
121.10107	2.5
122.06004	5.6
123.04410	0.5
123.08017	0.5
124.07546	1.2
126.95695	0.5
129.06970	1.9
129.09129	0.9
131.08546	2.2
132.08084	1.9
133.06496	0.9
133.08826	1.8
133.10092	1.1
134.06006	1.2
134.09625	1.5
135.11670	2.2
136.07553	31.0
137.07961	0.7
138.09160	1.2
143.08475	1.2
145.06477	0.9
145.10101	1.7
146.09639	2.6
147.10480	0.7
147.11665	1.4
148.07547	15.8
148.11171	0.6
149.08348	4.3
150.09067	3.1
156.08011	0.7
158.09639	1.3
159.11688	1.1
160.07591	1.8
160.11145	0.9
162.09113	2.2
163.09908	0.9
163.11162	7.1
169.10144	0.7
170.09674	1.2
171.10365	0.6
171.11676	1.1
172.11214	0.7
174.09125	3.6
176.10680	1.9
177.12657	0.6
184.11136	0.7
187.11180	1.0
188.10693	1.9
189.12700	0.6
207.13731	0.6
254.18982	0.6
272.20013	4.0
274.21576	1.2
276.19684	0.6
282.18488	2.4
284.59396	0.6
288.19525	1.6
290.21066	2.2
295.12314	0.9
300.19540	54.5
301.19943	2.8
318.20615	100.0
318.24017	5.1
318.30118	1.9
319.20868	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	318.1809
Annotation	H-ILE-TRP-OH
Peak:m/z	Relative Intensity
51.81088	0.4
55.01865	0.7
56.05030	1.1
56.96555	0.7
57.05819	0.5
58.06593	1.0
60.04532	0.6
65.03929	0.9
67.05495	1.9
68.99787	1.1
69.07061	13.2
69.53534	3.0
69.53961	1.7
70.06588	2.7
71.01296	0.5
72.08138	2.8
74.06100	0.9
79.05482	1.2
81.03384	0.6
81.07040	1.5
82.06543	0.7
84.04496	1.6
84.08123	2.7
86.00643	0.7
86.06059	2.2
86.09697	100.0
87.10040	0.6
88.03996	0.8
91.05485	1.5
91.53397	0.5
92.04976	0.8
93.07059	0.9
95.04946	0.7
96.04449	0.7
96.08118	0.6
97.61195	0.5
105.03400	2.4
105.06997	0.7
113.10761	1.0
118.06522	4.6
119.08566	0.7
120.08115	1.2
124.07581	0.7
126.09200	0.8
129.07304	0.7
129.10210	1.6
130.06541	2.2
132.06555	2.3
132.08090	2.0
136.07542	0.7
138.05457	0.9
141.10161	2.4
143.07274	0.5
144.08073	4.1
145.09724	0.5
146.05994	21.1
147.04408	1.7
147.06358	0.5
152.07051	2.0
156.04770	1.1
156.08423	1.5
159.09175	3.9
163.21643	0.6
166.04980	5.4
170.06026	2.0
176.03481	0.6
178.69948	0.5
182.04504	0.7
188.07053	43.2
189.07419	1.1
205.09705	33.5
206.09982	0.5
210.14880	1.1
216.10568	2.2
231.07713	0.6
242.45131	0.6
253.67239	0.5
255.11401	0.7
258.04605	1.0
259.07230	0.8
259.11008	1.4
267.01767	0.8
271.10773	1.4
273.12186	0.6
274.16559	4.2
277.12967	1.1
282.20654	1.3
283.10782	4.3
289.11838	0.9
300.14182	0.6
301.11752	3.3
302.12473	0.9
318.12067	0.5
318.18173	6.9
319.04684	1.7
319.12680	4.9
330.60965	0.5
341.22919	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02388	1.8
53.03943	13.2
55.01854	1.9
55.05505	5.4
56.05025	3.7
58.99573	2.2
60.04520	26.7
64.03864	1.2
67.05494	2.1
69.03414	3.1
69.07072	3.5
70.02956	3.5
70.06593	23.5
71.75048	1.9
71.75471	1.4
72.08152	73.7
74.06061	1.7
76.02229	1.4
79.05484	2.5
81.03414	35.1
82.06544	1.2
83.06116	2.2
84.04504	1.9
84.08133	17.4
85.02895	1.9
86.09702	55.7
87.05582	19.8
88.03985	4.0
91.05474	1.9
94.06553	3.0
95.06120	1.2
96.04475	2.2
96.08105	1.6
97.02878	1.3
98.02399	1.3
98.21265	1.5
105.07002	1.6
106.06554	10.0
107.08584	1.4
110.07156	19.7
111.05573	1.5
112.08704	2.8
113.00586	1.7
114.09168	19.5
116.04947	1.2
118.06533	1.8
118.08688	1.7
120.04478	1.7
120.08098	7.0
120.72234	1.4
122.06023	5.0
122.07010	1.3
128.10712	4.2
129.10240	7.1
130.06499	2.5
130.08646	2.8
132.01125	4.0
132.04456	4.3
132.10187	6.4
133.19173	1.6
134.06001	6.3
135.08226	1.4
136.07562	2.1
137.05986	9.2
139.02194	1.6
141.10245	1.6
146.06004	20.9
149.05995	1.7
150.05482	2.5
151.03888	1.7
151.06174	2.4
156.07657	3.2
159.11285	100.0
160.11636	1.6
164.05305	2.9
168.06587	8.0
168.07822	1.7
169.06587	1.7
173.12849	37.1
174.05536	2.6
177.05479	2.4
186.09085	2.8
187.08925	2.1
187.10764	32.1
187.14429	3.8
188.11075	1.7
196.06024	4.4
198.46661	1.3
201.12346	13.9
203.08188	1.3
210.05838	14.4
231.07529	6.7
231.17084	3.1
238.05304	13.4
244.07932	2.4
259.11987	6.0
272.07352	1.9
277.12967	22.8
290.08511	7.4
290.35992	1.5
302.12408	11.0
318.07986	4.8
319.15173	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	318.1042
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	5.5
55.05510	8.3
56.05021	1.9
56.96556	3.0
57.03426	4.9
60.04525	2.2
61.02918	3.5
68.10994	1.6
69.03431	7.6
69.07056	3.2
70.04046	4.9
70.06577	7.1
70.16151	9.0
70.95839	1.8
71.01339	3.6
71.02460	6.8
71.04909	2.3
72.05643	3.7
72.08150	100.0
73.02893	6.6
74.06074	2.1
79.05453	2.3
81.54928	1.5
82.04072	2.5
83.04868	2.4
84.04488	12.5
84.08122	9.3
85.02895	9.5
86.09702	47.0
88.03951	1.7
88.05106	2.1
89.03500	5.8
96.04453	1.6
97.02869	6.4
97.05128	6.7
98.03536	23.5
98.05920	4.3
98.21404	1.9
98.97572	4.6
99.04317	2.8
100.05085	3.8
102.05537	3.0
105.07024	1.9
108.04354	3.9
109.05118	4.5
109.69582	1.5
110.03487	1.6
110.06036	2.6
110.07164	3.4
111.04436	1.8
112.07635	2.1
113.04602	2.1
115.03898	4.2
115.06187	13.9
118.08665	1.6
123.31744	1.3
124.03815	4.9
125.04552	4.3
125.06973	44.1
126.05379	17.6
126.07761	9.8
127.06120	4.9
128.04567	2.4
129.10251	4.2
130.04990	5.1
131.96124	1.8
132.95786	3.3
133.04942	6.0
135.05414	1.6
136.06177	22.7
137.04604	2.6
138.05511	13.8
140.05627	1.9
141.04051	5.9
141.06453	9.5
142.04861	2.2
142.07260	2.8
143.03394	1.7
143.05626	25.8
143.11850	2.7
144.10182	1.6
147.04358	2.1
148.06073	2.0
150.96881	2.3
152.05670	4.0
153.04001	2.0
153.06458	34.2
154.07227	19.1
155.08113	2.8
156.06517	11.1
156.07643	2.2
157.04883	4.7
157.13351	9.8
158.06738	2.3
158.97334	2.9
164.05675	2.8
169.05853	2.1
170.06717	3.1
174.00604	1.9
174.96861	5.6
177.08743	4.8
182.06737	5.1
185.12863	3.8
185.16498	7.5
186.06230	16.7
189.12358	9.1
198.06046	2.2
199.00597	1.9
210.06166	2.6
211.07037	3.5
211.99606	1.5
213.16014	2.4
216.97768	1.9
229.11853	7.7
231.08708	1.8
234.98941	6.8
237.02829	2.5
254.15067	2.3
257.11163	5.0
275.09830	5.1
285.10684	9.3
290.10428	1.7
318.15994	2.2
319.04474	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	317.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	0.6
55.05496	1.2
56.05026	0.7
56.96557	3.1
57.03431	1.3
61.02926	1.3
61.13759	0.7
69.03426	3.2
69.07063	1.4
70.06569	3.1
70.09122	2.7
71.04981	0.7
72.08155	8.5
73.02919	1.4
73.06549	0.6
74.02437	6.3
76.15881	0.5
81.03410	1.8
81.07038	0.8
83.04961	0.7
84.04514	2.8
84.08131	16.6
85.02892	6.3
86.09698	100.0
87.04474	1.1
87.05585	12.6
88.03983	2.5
91.05457	1.0
93.07050	0.9
95.08592	1.3
97.02888	2.1
98.09708	0.7
98.97575	5.3
99.04447	0.9
101.10789	1.2
105.07021	0.8
107.04959	1.0
107.08568	1.3
109.02867	1.0
109.06503	0.7
109.10152	1.1
110.01250	0.6
110.06052	0.7
110.07195	1.0
111.05443	0.6
116.03437	2.8
116.98623	4.0
119.01842	0.8
119.04922	1.0
121.10114	0.8
123.04396	0.7
127.03899	1.4
128.98581	1.4
129.10223	8.5
130.04987	2.1
130.06522	1.1
130.08620	1.1
133.06075	55.6
134.99640	2.0
138.05463	3.3
138.09106	0.6
143.11809	1.4
146.99658	1.4
147.04417	1.8
147.07648	2.0
147.11349	1.2
149.01231	1.0
153.04051	0.7
155.03534	0.7
155.04712	2.1
155.08141	0.8
156.06570	2.2
157.07664	1.9
157.13348	51.5
158.99655	2.1
161.02965	0.9
164.05170	2.5
165.00790	0.7
172.95299	0.9
172.97348	0.8
177.00719	2.1
182.03447	0.6
185.12845	18.6
191.03893	1.0
197.16478	0.8
211.04678	2.0
218.06276	0.7
219.01788	1.6
227.06784	4.7
229.12178	1.4
236.07332	2.6
237.02826	3.0
246.14511	3.3
251.00021	0.7
251.06036	1.0
271.23581	0.7
291.07309	0.7
300.15775	0.7
309.08551	2.7
310.08578	0.7
317.05859	1.4
317.08463	2.9
317.11685	4.5
317.21823	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	316.2842
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.5
55.01867	0.5
55.05506	4.5
56.05033	4.1
57.03428	0.8
57.07072	1.7
58.02953	0.5
58.06599	0.3
60.04518	100.0
61.04851	0.5
63.27182	0.2
65.03935	0.2
67.05495	8.8
68.05016	0.6
69.07061	5.1
70.02937	0.3
70.06594	1.1
70.88452	0.2
70.88786	0.4
71.05000	0.3
71.08619	0.9
72.04498	1.7
74.06071	2.7
79.05478	3.4
80.04987	1.0
81.03429	0.5
81.07047	8.0
82.06583	1.4
83.04972	0.6
83.08611	3.0
84.04503	0.5
84.08133	0.3
85.06506	0.2
85.10171	0.4
86.06065	0.6
87.04459	1.3
90.05551	1.5
91.05475	2.2
93.07040	3.1
94.06558	0.8
95.04966	0.7
95.07340	0.2
95.08595	7.7
96.08134	0.7
97.06535	0.8
97.10172	1.4
98.06039	0.4
100.07642	0.3
102.05567	0.3
105.07019	1.5
106.67966	0.2
107.08572	1.3
107.37572	0.2
108.08112	0.3
109.06491	0.3
109.10139	2.6
111.08074	0.2
111.11726	0.4
112.07595	0.6
116.07099	0.6
119.08563	1.2
121.10146	1.4
122.09617	0.2
123.11708	0.8
125.13264	0.2
127.66746	0.2
133.10127	0.8
135.11684	0.9
137.09607	0.2
137.13219	0.3
141.12709	0.2
147.11649	0.5
149.13222	0.2
155.14349	0.2
185.19583	0.2
219.21066	0.3
221.22580	0.2
236.23782	0.3
238.25374	0.2
245.22664	0.5
250.25322	1.1
251.23584	0.4
256.26392	0.4
262.25284	2.1
263.23685	0.5
268.26328	0.8
280.26324	13.1
281.26968	0.5
298.27371	12.2
299.27664	0.5
316.28430	32.4
317.28760	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.2842
Annotation	Halisphingosine A
Peak:m/z	Relative Intensity
55.05506	4.7
56.05031	4.0
57.03442	0.7
57.07067	2.0
58.02955	0.3
60.04519	100.0
61.04866	0.6
65.03956	0.4
66.29087	0.3
67.05497	8.2
68.05038	0.5
69.07063	4.9
70.06601	0.8
71.04984	0.4
71.08630	0.8
71.64680	0.4
71.65018	0.3
72.04510	1.9
74.06066	2.3
79.05492	3.9
80.05031	0.9
80.77527	0.3
81.03429	0.5
81.07046	8.7
82.06577	1.5
83.04980	0.5
83.08620	3.2
84.04492	0.7
85.02892	0.3
85.06516	0.4
85.10178	0.6
86.06061	0.5
87.04461	0.7
90.05563	1.7
91.05463	2.9
93.07026	3.2
94.06578	0.7
95.04979	1.0
95.08601	7.2
96.08122	1.0
97.06535	0.8
97.10165	1.4
98.06051	0.5
100.07605	0.4
105.07030	1.4
107.08566	1.7
108.08101	0.3
109.06552	0.3
109.10152	3.7
112.07609	0.4
116.07112	0.7
119.08582	1.5
121.10143	1.8
123.11712	0.7
133.10139	1.0
135.11647	1.1
136.11238	0.3
137.09593	0.4
137.98941	0.4
144.61325	0.3
151.14755	0.4
219.21127	0.5
221.79480	0.3
225.48686	0.3
245.22475	0.4
250.25189	1.8
262.25269	2.0
268.26456	1.0
280.26334	13.1
281.26642	0.8
286.49023	0.3
298.23993	0.7
298.27380	13.2
299.27756	0.4
316.28452	36.7
317.21091	0.8
317.28851	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.2843
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	0.4
55.05505	4.3
56.05030	4.3
57.03426	0.8
57.07064	1.8
58.06590	0.6
60.04519	100.0
67.05498	8.3
68.05006	0.5
69.07058	5.3
69.91649	2.3
70.06590	0.8
71.08635	1.1
72.04508	1.7
74.06065	2.2
79.05480	3.8
80.05016	0.9
81.07047	8.1
82.06581	1.3
83.08605	3.3
86.06096	0.6
90.05540	2.3
91.05474	2.7
93.07039	3.8
94.06583	1.1
95.04963	0.6
95.08601	7.2
96.08160	0.7
97.06527	0.6
97.10136	2.1
98.61246	0.5
100.07642	0.6
105.07038	1.6
107.08597	1.7
109.10143	2.9
111.08080	0.7
112.07594	0.6
116.07127	0.5
119.08596	1.4
121.10157	2.3
123.08080	0.5
123.11679	1.0
129.88332	0.5
133.10144	1.3
135.11682	0.9
234.03963	0.5
250.25307	1.2
262.25299	1.4
268.26324	0.6
280.26346	12.7
281.26758	0.8
284.04620	0.4
298.27399	11.2
316.28452	31.6
317.28802	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.2228
Annotation	H-LEU-LEU-ALA-OH
Peak:m/z	Relative Intensity
55.05495	1.5
57.07053	0.8
67.05505	1.2
69.03432	0.8
69.07059	6.2
70.06582	5.7
70.12093	0.6
71.74541	0.9
72.08143	3.5
74.09715	0.7
79.05499	1.3
81.07058	1.8
84.04487	2.1
84.08124	4.5
85.02871	0.7
86.09695	100.0
87.04483	1.0
87.10011	1.2
91.05460	2.5
93.07057	1.9
95.04952	1.1
95.08606	1.2
97.06545	0.9
103.05429	0.7
105.07025	1.2
107.08570	1.1
108.08198	0.8
112.11268	0.8
114.05536	0.8
114.09134	1.2
119.08553	1.2
120.08099	2.2
122.06027	1.5
122.09644	1.1
129.10179	1.2
130.06535	1.7
132.10168	3.4
133.10127	1.2
136.07484	0.7
146.06023	0.9
147.04390	0.8
149.09641	0.8
157.07646	1.8
157.13348	53.1
158.13739	1.2
164.07050	2.0
181.06453	0.8
185.12823	15.7
199.18054	1.9
203.13995	1.1
208.11829	0.8
228.15869	0.8
234.14868	1.0
245.18561	1.5
290.91858	0.8
298.12772	3.8
298.57043	0.7
299.10336	0.9
299.13916	2.6
314.03775	0.9
316.05508	1.9
316.13593	3.8
317.11368	2.9
317.14865	1.7
317.21118	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.2268
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.5
55.05507	2.2
57.07056	0.7
60.04522	0.4
66.92022	0.4
67.05495	2.1
68.05022	3.1
69.07055	2.9
70.06580	12.6
71.04968	0.8
71.74262	0.5
71.74673	0.6
74.02440	0.5
81.07051	4.7
83.08593	1.2
84.08152	0.6
91.05465	3.6
93.07025	3.3
94.06548	0.5
95.04986	0.6
95.08595	5.5
96.08099	1.4
97.95053	0.4
98.06062	0.6
100.07606	6.8
105.07016	18.2
106.07298	0.4
107.08584	4.0
108.08122	2.0
109.10141	3.1
114.05488	2.6
114.08986	0.4
116.07013	0.5
117.07012	1.5
119.07751	0.7
119.08571	12.5
119.09418	0.8
120.08107	0.8
120.08904	0.6
121.10133	2.5
122.09661	2.4
126.09069	0.7
128.07062	7.2
130.07797	0.6
131.08537	3.9
133.10118	8.2
135.11725	0.7
137.13260	0.7
140.07063	0.5
142.08623	4.8
143.08595	0.7
144.09291	0.6
145.10095	9.0
147.11667	5.9
148.11182	1.4
151.06294	0.4
154.08611	3.4
157.10127	0.6
159.11630	4.5
160.12492	0.7
161.13255	1.0
168.10185	18.3
168.11612	1.0
171.11664	0.8
173.13232	1.8
175.13405	0.9
175.14813	11.4
178.08638	4.7
180.10130	1.2
182.11795	0.5
187.14850	0.8
188.14308	0.8
192.10237	0.6
194.11768	2.8
200.14313	0.6
201.16367	7.0
202.15877	1.9
203.17935	1.4
216.17380	0.5
224.14023	0.4
225.12894	0.4
232.13306	1.0
233.14110	0.8
234.14743	0.9
246.14876	0.9
247.15657	1.9
256.20654	1.1
260.16406	2.9
286.17957	8.9
286.66580	0.5
301.20361	3.2
316.22684	100.0
317.06470	0.7
317.23245	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	316.2113
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33910	0.5
55.05507	2.3
56.05025	3.4
56.27417	0.5
57.03434	1.4
66.45648	0.5
67.05496	8.8
69.03422	4.4
69.07067	1.6
70.06583	8.8
70.70012	1.9
71.04992	0.7
72.08147	1.5
75.60214	0.5
79.05486	4.0
81.03418	0.6
81.07042	15.5
83.08611	2.1
84.04503	2.0
84.08147	2.0
85.02919	0.8
85.06562	0.7
86.06056	18.1
86.09701	11.7
86.94687	0.6
87.04453	17.4
88.03996	1.1
91.05465	6.3
93.07037	3.1
94.06570	1.7
95.04984	1.0
95.08616	2.2
96.04496	0.7
96.08103	3.0
97.06530	1.1
98.06042	40.2
105.07018	4.1
107.07380	0.6
107.08589	3.0
108.08107	1.7
109.06500	1.1
109.10114	2.8
110.09665	1.2
112.07603	2.4
119.08525	1.0
120.04472	1.1
120.08107	2.1
121.10113	1.2
122.78606	0.6
123.04471	0.8
123.11695	4.3
124.07575	12.6
130.05008	0.6
133.10118	6.4
134.04497	0.9
136.07567	4.3
137.05971	0.5
138.09135	1.0
145.95883	0.6
146.06013	1.6
147.11650	1.4
148.07605	1.3
149.09621	0.9
149.75798	0.6
151.11171	14.7
154.08566	1.3
157.07668	0.6
157.13341	5.8
161.09589	0.6
162.05527	3.5
163.05832	2.7
164.07042	2.7
165.12810	0.7
166.08617	2.9
168.13823	8.7
185.12903	1.8
186.14915	2.8
187.11378	0.6
188.85379	0.7
195.02837	0.7
196.03323	0.7
196.10010	0.8
203.08174	0.8
206.75342	0.6
208.17044	1.3
236.16422	18.6
236.18745	1.2
259.11118	1.3
271.14346	0.8
272.18527	100.0
273.18845	4.5
279.53714	0.6
285.12274	3.4
298.12750	1.6
299.10385	1.0
299.13806	2.0
316.05548	1.3
316.09140	0.6
316.13797	2.9
316.17230	1.4
316.21115	22.8
317.07584	0.8
317.11395	1.3
317.15131	2.9
317.21271	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.1574
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96558	1.3
51.51516	1.4
52.52476	1.4
55.01856	3.5
55.05505	3.6
56.05028	9.9
58.06581	1.7
58.99580	11.9
60.04512	2.3
62.03963	1.4
65.03938	1.8
67.05495	14.0
68.05021	1.7
69.07067	3.2
70.06572	3.4
71.04982	1.7
71.07038	1.5
71.74830	2.5
73.01141	3.4
74.00653	2.2
76.02217	2.4
77.82403	1.3
79.05486	13.9
80.05007	1.8
80.62136	1.2
81.07048	14.2
82.06559	3.1
83.04987	1.2
83.08606	4.4
84.08110	2.4
85.01117	5.1
85.06544	1.9
86.00643	66.4
86.99036	4.1
87.02703	9.1
88.02223	2.2
88.03970	3.5
91.05468	9.7
93.07043	13.9
95.08588	5.7
97.01108	20.9
99.02664	6.9
100.26703	1.5
105.07028	8.3
107.08586	14.9
109.10179	2.6
111.02637	2.9
111.08037	2.0
113.04263	1.3
117.07027	2.4
119.08583	4.8
121.10152	4.5
122.02746	1.6
123.02639	1.8
129.07054	1.9
131.08592	7.7
132.01140	70.8
133.10124	5.4
135.11678	2.7
139.05745	1.8
147.11697	2.5
149.09612	4.3
151.11171	1.8
157.10161	1.4
159.11690	2.2
160.04259	2.0
165.07347	2.0
191.08884	7.2
194.15405	5.9
209.09967	10.6
212.16399	4.4
226.12668	2.1
227.11003	5.1
237.09323	2.5
252.14085	4.6
262.52469	1.4
270.15167	15.3
273.11566	14.4
298.14725	7.7
316.15753	100.0
316.28455	3.9
317.06647	3.0
317.16089	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	316.1575
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.5
55.01864	2.0
55.05503	8.2
56.05029	16.7
56.59679	1.2
58.99582	17.8
59.37666	0.9
61.01136	1.2
65.03934	5.7
66.66048	0.9
67.05496	24.7
68.05004	2.7
69.07063	6.8
70.02931	1.6
70.06568	4.4
71.04983	4.4
71.51957	1.8
72.08134	1.7
73.01131	11.0
74.00652	5.1
76.02216	9.4
79.05485	21.7
80.05010	4.3
81.03418	1.1
81.07047	29.5
82.06573	14.6
83.04969	2.5
83.08592	4.2
84.08124	1.6
85.01110	8.8
85.02887	0.8
85.06516	2.7
86.00644	25.8
86.99043	7.7
87.02673	2.8
88.02212	8.7
88.03989	5.8
91.04919	1.9
91.05469	26.1
93.07032	22.2
94.06560	5.0
95.04945	2.5
95.08613	9.0
96.08111	3.1
97.01104	16.1
97.06518	3.6
97.10127	1.3
98.02790	0.9
99.02669	15.9
100.02179	1.4
101.04222	1.0
105.00072	4.0
105.07018	13.3
107.08598	11.5
108.08092	2.5
108.08842	1.0
109.02853	1.4
109.06490	2.6
109.10143	5.9
111.02683	5.3
111.08072	1.4
113.04205	4.1
113.06007	1.4
114.03732	2.1
115.05515	1.1
117.07018	3.4
119.08574	8.1
120.01135	2.4
120.08121	1.1
121.06488	1.7
121.10128	3.7
122.02720	8.8
123.02630	4.4
123.08068	1.3
125.04182	3.5
129.06970	3.7
131.08546	9.1
132.01135	29.9
133.10112	20.5
135.02592	1.2
135.08012	1.4
135.11671	3.7
137.04201	2.3
142.07851	1.1
143.08511	1.4
147.08057	1.8
147.11647	9.1
149.04193	1.9
149.09592	1.2
149.13231	7.3
157.10094	7.8
158.38448	0.9
159.11674	7.3
165.07280	1.5
167.28398	1.0
175.11182	6.8
177.12727	14.4
181.10446	4.0
190.15958	1.1
191.08871	5.9
193.12177	4.8
194.15395	12.5
195.13762	2.4
209.09909	10.3
211.11450	2.1
212.16434	9.9
218.15306	2.1
227.11028	6.2
236.16386	2.2
246.15157	1.0
252.14224	9.5
253.12582	1.8
270.15225	22.8
278.13397	0.8
283.28381	0.9
284.10074	1.4
286.98340	1.1
298.14664	17.3
316.15756	100.0
316.26120	2.3
317.16190	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	316.1576
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52794	2.7
55.05496	6.7
55.67487	2.3
56.05020	8.8
58.99566	11.6
60.00168	2.8
60.04516	6.2
67.05502	14.9
69.07037	5.1
69.82520	2.6
70.06587	4.8
70.23345	5.5
70.23740	7.2
72.45563	2.5
73.01131	3.4
75.21842	2.6
76.02209	3.6
79.05474	10.2
80.04966	5.0
81.07042	16.8
82.06566	3.5
83.08588	5.5
84.08124	5.3
85.01137	6.1
86.00645	88.3
86.99040	4.6
87.02676	6.5
88.03979	4.2
88.07670	2.8
91.05467	9.0
93.07030	15.6
95.04967	3.4
95.08611	6.2
97.01125	15.7
98.21391	4.4
99.02683	5.7
105.07003	8.4
107.08571	16.1
109.06524	3.3
109.10151	3.9
111.08062	2.6
121.10121	6.5
131.08530	6.2
132.01135	93.3
133.10127	8.0
149.09604	7.8
177.05046	2.7
191.08926	7.5
194.15430	5.9
209.09950	8.6
212.16472	4.9
227.11035	5.5
270.15259	19.7
273.11627	9.2
298.14709	10.9
316.15753	100.0
316.28394	8.4
317.06555	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	315.1951
Annotation	Licamichauxiioic acid B
Peak:m/z	Relative Intensity
50.17407	0.7
53.03930	0.7
55.05489	3.5
55.98058	0.7
57.03428	1.4
67.05193	0.8
67.05501	9.3
68.65603	0.8
69.07047	3.6
70.06574	1.1
70.41104	2.6
79.05485	8.9
81.03418	0.8
81.07046	16.7
83.04974	1.0
83.67068	0.8
87.04444	1.5
91.05475	11.8
93.07038	10.4
95.04960	1.6
95.08597	15.2
97.06503	0.9
97.10136	1.6
105.07014	16.9
107.08575	8.9
109.06533	1.7
109.10139	14.7
115.05420	1.4
117.06985	6.3
119.04887	1.3
119.08560	10.8
121.06467	3.0
121.10117	3.1
123.08040	1.6
123.11703	1.0
127.42550	0.9
128.06192	2.0
129.06982	6.2
131.08540	8.8
133.06465	1.6
133.10095	7.6
134.58150	0.7
135.08066	1.1
135.11644	2.2
137.05968	2.3
137.09604	11.2
141.06938	3.4
142.07756	2.3
143.08543	13.6
145.06427	1.2
145.10115	10.6
147.07979	1.4
147.11678	7.5
149.09564	1.0
149.13181	0.9
149.36940	0.8
151.11182	1.2
155.08540	30.6
156.09343	1.0
157.10124	12.6
159.07970	1.0
159.11671	11.9
161.09612	2.7
161.13322	3.9
165.06993	2.2
166.07785	0.9
167.08562	2.9
168.09340	1.4
169.10132	9.9
170.10863	1.0
171.08054	1.1
171.11691	13.1
173.09552	1.8
173.13252	4.3
175.11134	1.1
179.08516	2.7
180.09297	1.6
181.10106	7.5
182.10930	1.9
183.11678	10.0
185.09636	1.9
185.13223	10.1
187.11101	1.6
189.12711	1.6
191.10628	4.4
193.10071	2.2
194.10924	3.0
195.11667	14.7
196.12381	2.0
197.13220	7.7
199.11137	2.1
199.14714	5.6
203.10608	1.0
205.12218	1.0
208.12418	2.1
209.02368	0.9
209.13231	14.7
210.13855	1.7
211.14806	23.2
212.15358	1.2
213.12721	5.2
213.16330	6.4
217.12199	2.9
221.13306	1.9
223.14780	17.0
225.16377	3.4
227.14284	1.2
227.17880	2.2
229.15752	0.9
231.13797	4.1
236.15558	2.0
239.14264	1.4
239.17867	1.8
240.14751	0.8
241.15871	4.0
241.19498	25.3
242.19814	1.7
251.17940	43.9
252.18347	1.3
253.19493	2.4
255.13802	1.2
257.15353	4.5
259.16867	1.4
259.20535	4.6
265.08609	1.6
269.15527	7.5
269.18970	100.0
270.19382	2.8
285.18411	3.3
287.20016	18.9
297.11224	1.0
297.18469	25.7
315.08023	1.1
315.19507	52.7
316.19800	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	315.1951
Annotation	Licamichauxiioic acid B
Peak:m/z	Relative Intensity
55.05492	5.3
57.03418	1.5
60.04508	1.4
65.03917	1.5
67.05492	10.2
68.54868	1.1
69.07053	5.5
70.06567	4.2
70.94024	2.8
70.94352	1.4
71.39881	1.2
72.08160	1.2
79.05490	7.8
81.03425	1.4
81.06600	2.0
81.07049	22.9
84.08127	2.1
86.09679	2.6
91.05462	15.5
93.07034	14.2
95.04949	2.9
95.08600	18.7
97.10147	1.9
101.75213	1.2
103.05446	3.1
105.07014	15.8
107.04965	1.5
107.08579	10.3
109.06471	3.3
109.10149	18.0
115.05426	1.5
116.06972	1.1
117.07005	5.6
119.04979	1.1
119.08572	11.4
120.08086	1.9
121.06481	3.4
121.10146	5.9
122.03580	1.9
128.06215	1.5
129.07008	6.6
131.04926	6.3
131.08551	12.3
133.06471	1.8
133.10129	7.8
135.08031	3.0
135.11644	1.8
137.05960	21.3
137.09589	10.1
138.06279	1.6
141.06967	3.6
142.07742	1.8
143.08545	13.5
145.06441	1.5
145.10097	12.3
146.03616	2.0
147.08012	2.5
147.11662	7.0
149.05962	1.8
149.09589	1.6
150.26250	1.3
151.03885	1.4
152.06166	1.3
153.06995	2.6
155.08531	24.5
156.09163	1.8
157.10109	12.5
159.04449	1.3
159.11665	12.4
161.05960	7.2
161.09604	3.3
161.13246	5.0
161.55142	1.3
162.05492	1.9
163.07556	3.1
163.11084	1.3
165.05450	5.3
165.07024	4.6
166.07758	2.5
167.08504	4.4
167.34052	1.3
169.10106	9.1
171.08043	2.3
171.11665	14.0
173.13206	5.4
175.11124	1.5
177.06895	1.8
179.08501	2.9
180.09348	1.9
181.10115	7.0
182.10846	1.8
183.11635	7.6
185.09637	1.8
185.13254	11.4
187.11176	3.6
189.12726	2.3
191.06958	2.3
191.10692	5.6
194.07230	3.7
194.10860	1.6
195.08009	3.9
195.11687	11.7
196.12320	1.5
197.06079	1.4
197.13275	5.7
199.11217	1.5
199.14786	5.4
205.12291	2.7
207.11710	1.3
208.12488	1.4
209.13229	13.5
210.13847	1.5
211.07530	1.7
211.12889	2.3
211.14780	20.1
213.12718	5.4
213.16322	8.4
217.12354	2.5
221.06039	2.4
222.06670	3.6
223.07515	4.3
223.14789	15.8
225.16339	3.1
227.17944	2.7
231.13889	6.4
236.15579	2.2
237.09048	2.9
239.07030	1.8
239.14412	1.7
239.17723	1.5
240.07831	1.8
241.12292	1.8
241.15944	2.1
241.16902	1.8
241.19495	31.4
246.50571	1.2
251.07149	2.3
251.17937	42.4
252.18289	1.5
253.08527	1.5
253.19514	2.4
255.10141	6.5
257.15274	1.8
259.16904	1.4
259.20633	3.0
265.08575	7.0
269.15591	5.8
269.18967	100.0
270.19324	4.4
283.09641	16.1
284.10226	2.0
285.11172	1.7
285.18521	1.7
287.16852	1.7
287.20001	22.0
297.11221	4.1
297.18472	31.1
298.18753	1.5
315.04730	1.7
315.12433	9.1
315.19495	49.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1047
Annotation	S,S,S,-TRIBUTYLPHOSPHOROTRITHIOATE
Peak:m/z	Relative Intensity
55.05504	0.4
57.03428	0.5
69.03436	0.5
69.58173	0.3
70.06577	1.7
70.26052	1.7
72.08147	1.0
79.05485	0.6
81.03424	0.9
82.06577	0.6
83.04993	0.5
84.08127	0.7
85.02902	1.4
86.09682	0.6
91.05462	0.5
97.02874	0.6
98.21148	0.8
103.05518	0.4
106.06520	0.4
107.04986	0.6
108.08097	0.4
109.02840	0.5
111.04413	0.5
120.08160	0.4
123.04408	0.4
131.04942	0.7
134.06000	0.4
135.04399	0.6
137.05934	0.5
153.05397	0.7
153.06561	0.8
157.04955	1.0
175.03906	0.5
185.04158	0.7
221.05083	0.6
226.01570	0.4
285.08350	0.4
292.04749	0.9
297.11646	0.5
315.10474	100.0
316.10852	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	315.1928
Annotation	E-64c
Peak:m/z	Relative Intensity
55.05496	0.8
57.07057	1.8
57.77218	0.7
71.26743	0.7
73.92467	0.7
79.05486	1.0
81.07075	0.9
84.03329	0.7
93.07040	0.9
107.08556	0.9
124.01501	0.8
130.96223	0.8
135.07979	0.9
145.10159	1.0
155.45123	0.8
207.63977	1.0
239.86511	0.8
259.28244	2.3
299.11035	0.9
315.19308	100.0
315.34406	14.2
316.19583	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	315.086
Annotation	3,6-Dihydroxy-5,7-dimethoxyflavone
Peak:m/z	Relative Intensity
50.97858	0.5
55.01852	0.6
55.05502	0.7
67.05497	0.8
69.07041	0.8
70.06583	2.1
71.32737	1.2
72.08127	0.9
79.05457	1.4
81.07043	1.2
84.08114	1.0
86.09662	0.8
91.05482	1.6
95.04987	0.6
95.08565	0.9
103.05441	0.6
103.22162	0.6
105.07050	0.7
107.04935	1.0
107.08516	0.6
117.06979	0.7
123.00793	1.7
125.72424	0.7
128.06219	1.7
131.04926	1.6
134.03615	1.2
135.04430	1.1
137.02338	1.3
137.05948	3.8
139.05434	0.7
141.06995	0.8
141.85040	0.6
145.02821	1.0
148.05156	2.3
149.05948	0.8
151.00273	1.1
151.03812	0.5
151.07480	0.6
152.01019	1.3
153.01826	4.2
155.04933	0.6
156.05679	1.3
161.05934	0.9
163.07513	0.9
165.06918	1.2
166.02524	1.0
167.03398	1.7
169.01305	1.3
169.06537	0.7
170.02032	1.0
173.05966	0.8
181.06583	0.7
183.04329	1.1
184.03677	1.0
184.05064	2.7
194.07265	1.8
197.06073	0.9
201.05481	1.5
205.06461	1.2
208.05164	1.6
209.09541	0.6
212.04697	5.9
213.05389	0.9
215.06836	0.7
222.06744	0.9
223.03893	1.0
223.07425	0.6
227.07024	1.9
229.04959	3.6
237.09094	1.5
239.03358	1.1
240.04179	7.5
243.06522	2.0
244.07172	1.2
250.06010	0.8
255.06464	4.0
255.10216	1.3
257.04413	4.3
259.09653	1.0
265.08582	4.3
267.02808	2.3
268.03659	5.5
269.08109	1.0
272.06769	2.1
283.06015	3.0
283.09604	3.8
284.10309	0.8
285.04080	3.4
285.11118	0.7
297.11246	2.6
299.05496	1.1
299.11044	0.7
300.06253	52.1
301.06589	2.8
315.08603	100.0
315.11801	3.4
316.08948	5.4
316.15839	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.2685
Annotation	(+)-Prosopinine
Peak:m/z	Relative Intensity
51.80692	1.4
55.05497	5.6
55.53555	1.6
56.14269	1.3
57.07067	33.5
58.07409	1.5
60.10341	1.4
67.05500	10.1
67.21035	1.3
69.07052	4.8
71.08623	18.7
71.75274	1.7
76.03996	100.0
81.07057	11.2
83.08609	7.1
85.10178	10.7
90.05542	1.6
92.86360	1.5
95.08608	14.5
97.10163	2.8
100.11185	1.3
109.10130	6.1
109.43849	1.4
123.11691	3.4
151.07645	1.7
157.55801	1.4
159.01953	1.4
239.23624	6.9
243.31323	1.7
270.03775	1.6
298.10767	11.4
299.11487	7.3
314.13889	19.1
314.27747	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	314.2685
Annotation	(+)-Prosopinine
Peak:m/z	Relative Intensity
55.05502	4.2
56.05023	2.2
57.07057	2.4
57.23705	1.0
58.06567	1.1
60.04517	100.0
65.03912	1.0
67.05497	12.6
68.05044	1.1
69.07047	3.4
70.06581	1.5
71.75030	1.3
72.04515	5.6
79.05487	7.6
80.05006	1.9
81.07050	9.6
82.06575	1.2
83.08611	3.0
84.08157	1.7
91.05466	4.9
93.07014	6.7
94.06552	2.0
95.08604	6.7
97.10176	1.1
105.07033	2.9
107.08596	2.1
109.06561	1.0
109.10147	2.2
112.07594	1.4
117.80954	0.9
119.08566	3.0
121.10148	3.4
131.04901	1.2
131.08522	1.7
133.10156	1.2
134.09630	1.0
135.11678	1.1
136.06126	1.9
137.05934	1.6
146.20766	1.1
151.07489	2.7
157.01894	0.9
194.15781	1.0
215.17816	1.0
248.23721	1.6
261.22073	1.0
266.24652	1.2
273.15628	0.9
278.24768	5.7
284.08960	1.2
296.13037	1.0
296.25711	6.7
298.10693	8.0
299.11429	5.4
314.10522	0.9
314.13876	13.3
314.26852	30.2
315.13934	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.1958
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	5.0
55.05498	16.8
56.05020	5.2
57.03427	6.4
57.07057	3.7
60.04506	4.1
67.05170	5.8
67.05498	57.1
69.07073	18.9
69.59093	16.1
69.59525	16.7
70.06587	3.7
71.04983	5.7
72.04508	8.1
79.05486	38.0
81.03416	4.7
81.06599	7.8
81.07049	100.0
83.04966	5.5
83.08597	12.4
84.04478	4.8
84.08156	3.8
86.09699	5.0
90.92445	3.8
91.05479	31.3
93.07033	67.2
95.04939	7.4
95.08575	18.4
97.06532	10.4
99.19389	3.8
102.05531	6.6
105.06998	8.9
107.08590	48.7
109.06557	3.6
110.07229	4.2
111.08050	4.4
117.06991	11.7
119.08602	4.2
120.08076	4.9
121.10117	15.0
123.11681	15.6
131.04919	6.2
131.08524	14.9
133.10129	17.4
135.11662	15.5
136.06151	6.0
137.05948	8.3
148.05168	6.1
149.13234	53.8
151.07510	5.9
159.11703	24.6
165.06824	3.6
166.08690	4.5
175.03922	4.2
177.12733	16.2
184.46004	3.7
186.12801	6.0
195.13795	59.1
204.13795	11.7
213.14882	5.1
222.14839	9.1
240.15898	20.4
254.08948	4.5
269.17456	6.6
296.18518	30.9
298.10660	20.1
299.11346	17.5
300.06418	7.6
314.10797	4.9
314.13928	48.4
314.33209	4.0
315.08545	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	314.1958
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.7
54.98256	1.3
55.01867	2.2
55.05508	8.4
57.03428	1.3
57.07067	1.6
65.03904	1.4
67.05495	19.1
69.03423	5.0
69.07063	7.8
70.06576	3.2
71.04988	2.7
71.73620	1.7
71.77265	1.4
72.04507	2.6
72.08172	1.3
79.05482	11.8
81.03417	3.5
81.07049	32.3
82.07380	2.2
83.04977	2.3
83.08606	4.1
84.08134	2.5
85.06544	2.4
86.06060	100.0
87.04453	7.0
91.05478	11.5
92.05769	1.5
93.07037	19.5
95.04971	3.7
95.08573	8.0
97.06557	2.8
102.05510	2.5
103.05462	2.3
104.07099	6.7
104.35318	1.2
104.86079	1.6
105.07032	8.0
107.04971	1.5
107.08581	12.8
107.80111	1.2
109.02870	4.2
109.06517	1.8
109.10148	3.3
111.04398	2.0
111.08065	2.6
117.07014	3.4
119.08577	4.0
120.08076	1.7
121.10144	6.5
123.11691	6.2
131.04964	2.0
131.08548	3.6
133.10164	6.0
135.07945	1.2
135.11664	1.9
137.05931	2.0
137.13158	1.3
147.11655	7.1
149.13264	10.0
151.07573	2.3
159.11699	7.9
161.09563	1.9
163.07571	1.7
165.12764	5.3
177.12787	4.8
190.09390	1.6
195.08051	2.3
195.13802	12.3
199.15224	1.6
204.13800	1.8
223.07675	2.1
226.11458	3.0
240.15926	5.0
250.18011	1.8
283.09644	4.6
296.18597	7.9
298.10742	5.1
299.11502	3.7
314.07413	4.3
314.14029	11.4
314.17087	1.9
314.25192	2.3
315.12524	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	314.1957
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68624	6.9
55.05508	17.5
57.07071	10.6
67.05494	66.8
69.07061	28.0
70.06575	12.4
71.04982	9.0
71.75060	11.4
72.04486	9.0
75.38372	6.8
79.05482	53.6
81.03423	7.7
81.07046	100.0
81.59386	7.0
83.04989	12.1
83.08624	18.0
84.08137	8.8
91.05466	23.5
91.88026	7.2
92.77613	7.2
93.07044	75.2
95.04971	9.0
95.08611	24.0
98.21684	7.9
107.08585	36.9
111.08066	7.6
117.07000	19.4
121.10126	10.7
123.11739	17.9
131.00636	7.4
131.04880	12.7
131.08524	12.2
133.10107	23.5
135.11676	10.7
136.06168	15.0
137.05942	13.5
149.13289	42.8
151.07468	11.5
153.89655	7.7
159.11678	14.9
163.07574	11.4
177.12773	22.0
195.13783	55.8
222.14873	10.4
227.11755	21.9
240.15955	15.5
255.11325	11.7
283.54996	8.1
296.18619	29.9
298.07800	9.3
298.10620	48.1
299.11414	29.0
314.07614	10.0
314.13968	84.9
314.26938	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	314.1959
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	0.2
55.04239	0.1
55.05508	0.4
56.96529	0.1
57.03434	0.3
65.18449	0.1
65.44988	0.1
67.05472	0.2
68.05032	0.3
69.07062	0.3
70.06583	11.3
70.26897	0.4
71.06912	0.2
72.08144	0.9
79.05483	0.3
81.07046	0.3
82.06562	0.6
83.07353	0.2
84.04509	0.3
84.08142	0.5
85.02893	0.3
86.09691	0.6
90.69846	0.1
91.05466	3.5
92.05798	1.7
93.07040	0.2
94.06564	0.1
95.04892	0.2
95.06087	0.3
95.08562	0.3
96.08135	0.3
97.10187	0.2
97.14185	0.1
98.06055	0.2
98.09648	0.1
100.07607	44.0
101.07938	0.4
103.05449	0.2
105.07008	0.2
107.04934	0.2
107.08568	0.2
108.04463	0.1
108.08125	0.1
117.06966	0.1
119.08516	0.2
120.08072	0.3
128.07063	100.0
129.07404	1.3
129.10263	0.2
131.04887	0.2
137.02283	0.2
137.05992	0.2
138.09219	0.1
141.57141	0.1
145.04942	0.1
151.07455	0.2
152.07092	0.2
152.14334	0.7
159.08078	0.1
161.25644	0.1
173.12767	0.2
176.14377	0.2
193.12146	0.2
195.02872	0.9
199.02435	0.1
202.02283	0.1
211.19098	0.6
214.18002	0.4
226.10786	0.4
226.18060	0.2
227.11208	1.7
252.15919	0.1
255.11377	0.2
264.15930	0.2
265.08456	0.2
268.13904	0.2
268.19077	1.1
270.19629	0.2
279.17770	0.4
282.16965	0.8
297.11395	0.2
298.10669	0.6
299.11346	0.3
314.07675	1.0
314.14093	3.5
314.19534	6.6
315.04907	0.6
315.13446	1.6
315.19342	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.1245
Annotation	Unknow
Peak:m/z	Relative Intensity
60.01731	0.2
65.03929	2.4
65.20472	0.2
69.50744	1.8
70.06576	0.7
84.08143	0.4
84.50401	0.2
86.09682	0.5
91.05472	100.0
92.05798	1.4
95.04989	0.2
98.58949	0.2
100.11228	0.4
108.37876	0.2
114.09192	0.3
120.08110	0.6
129.10220	0.2
131.04996	0.2
132.05228	0.2
137.05978	0.7
143.47879	0.2
148.06216	0.6
151.07588	0.2
165.01813	0.2
165.07036	0.2
170.15350	0.3
187.54053	0.2
188.05533	0.2
188.35213	0.2
190.07211	0.5
236.07822	1.5
265.08414	0.3
268.11914	2.1
298.10739	1.1
299.04953	0.2
299.11612	0.3
314.07721	1.5
314.12430	45.4
315.12640	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.069
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68343	0.3
60.42553	0.3
70.02930	0.7
70.06580	2.1
71.27007	0.8
71.99088	0.3
72.08157	1.5
74.00645	0.5
84.04498	0.3
84.08121	0.6
86.09696	1.7
88.03982	8.8
109.01100	0.6
110.07154	0.4
112.98769	0.3
117.99596	1.1
120.01126	0.7
121.01081	16.9
123.02612	0.4
129.10214	0.5
137.00563	0.9
149.00554	26.0
151.02138	0.6
165.00049	6.9
166.00810	3.2
177.00031	0.6
179.06993	0.5
181.03108	1.6
192.04808	0.4
192.99532	6.8
193.03233	0.6
194.00311	18.4
207.01198	0.5
207.04707	0.7
208.04260	0.9
209.02657	100.0
210.02946	2.4
225.02159	0.7
250.05109	0.5
251.03743	0.4
253.05341	0.8
254.04745	0.9
297.04330	1.1
298.10745	1.0
314.06842	0.6
314.13907	1.8
326.60779	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.0692
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	0.4
56.05012	0.4
57.07055	0.5
64.18999	0.3
69.07057	0.7
70.02947	1.0
70.06582	7.3
70.28198	1.7
71.06927	0.4
71.99102	0.4
72.08142	1.7
74.00655	0.5
81.03425	0.4
83.06101	0.4
84.04489	1.1
84.08135	3.0
86.09689	2.9
88.03988	9.4
91.05500	0.5
97.02905	0.3
98.06061	0.4
98.20980	0.7
101.67886	0.4
109.01089	1.0
110.07175	1.8
110.07813	0.3
117.99556	0.9
120.01139	0.5
120.08080	0.6
121.01078	18.2
127.08682	0.3
129.10240	1.2
136.06194	0.5
137.00549	1.4
149.00551	25.4
152.05669	0.9
165.00060	6.9
166.00870	3.2
177.00023	0.8
179.07043	0.5
181.03145	1.9
192.04816	0.5
192.99553	7.5
193.03258	0.5
194.00320	18.5
201.12219	0.4
207.01016	0.6
208.04259	0.8
209.02655	100.0
210.02974	1.9
225.02116	0.7
253.05214	0.7
254.04723	0.5
297.04276	1.4
298.10724	2.3
299.11444	0.9
313.27405	0.6
314.06851	0.4
314.10657	0.6
314.13898	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	314.0917
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	0.4
55.05482	0.4
56.05019	0.8
56.96548	0.3
57.03429	0.6
58.06573	0.4
61.01138	1.0
61.57023	0.4
64.65131	0.3
69.03423	2.4
69.07063	0.5
69.72570	2.2
70.06584	8.5
71.04973	0.4
72.08147	1.0
73.02891	0.4
74.06065	0.6
77.05663	0.3
79.05476	0.4
81.03388	0.8
82.78730	0.3
83.06106	0.6
84.04497	2.4
84.08138	2.9
85.02863	0.8
86.09698	1.0
86.99014	0.4
94.04053	0.3
96.04494	0.8
97.02883	44.4
98.03240	0.6
98.20731	0.8
102.05463	0.3
110.06045	0.4
110.07140	2.4
112.07601	2.0
112.08725	0.5
112.70387	0.3
115.08703	0.4
116.07059	0.9
119.01692	0.4
120.12594	0.3
129.10219	1.4
130.04976	0.8
133.07626	0.4
135.04433	0.4
135.05403	0.5
136.06171	100.0
137.04564	0.7
137.05748	0.5
137.06606	0.7
137.93433	0.3
140.07083	0.8
143.01614	1.9
148.06168	0.8
150.07738	1.6
152.05641	1.4
152.09042	0.4
161.02664	1.2
162.07756	0.6
164.05670	6.0
171.11227	0.6
175.11874	0.4
178.01216	0.4
178.07233	2.7
179.03682	1.8
213.12300	0.5
220.08173	0.4
231.04378	0.4
248.07724	1.1
250.09270	0.9
250.25919	0.3
278.06964	1.0
296.08102	3.1
298.10690	0.6
299.11316	0.4
314.09128	7.2
314.13718	1.2
314.17538	2.1
314.27606	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2733
Annotation	Unknow
Peak:m/z	Relative Intensity
53.07078	0.7
55.05505	9.0
57.03167	0.8
57.03435	15.2
57.07068	53.2
58.07378	1.1
67.05492	12.3
69.07062	9.2
69.85223	0.8
71.08622	35.6
75.02087	0.8
79.05475	2.2
81.07050	11.4
83.08149	1.4
83.08602	11.5
85.06525	0.8
85.10168	18.7
89.06004	2.7
91.05473	2.4
93.07034	3.3
95.04964	1.3
95.08597	19.0
97.06485	1.0
97.10169	6.0
99.11726	1.3
103.07618	1.7
105.06989	1.4
107.08565	2.1
109.10149	8.8
111.11697	1.2
117.09130	0.8
118.18009	0.7
119.08582	1.5
121.10115	1.2
123.11671	3.5
131.08533	1.2
133.10089	2.1
135.11639	1.4
137.13193	1.4
145.10117	1.0
147.11760	1.0
149.09610	2.1
159.11757	1.0
163.11147	1.7
200.07455	0.8
219.62367	0.8
239.23663	3.2
257.18832	1.0
257.24783	4.2
275.20126	2.1
313.17453	3.0
313.27322	100.0
314.27765	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	313.2732
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63961	0.5
53.00285	0.6
55.05503	8.7
57.03432	19.9
57.03715	1.1
57.07070	69.3
58.07389	0.6
67.05497	12.8
67.05848	0.9
69.07061	9.5
70.70592	1.1
71.03189	0.5
71.04982	0.6
71.08624	42.3
75.04463	0.9
79.05496	0.9
81.07050	16.5
83.04980	0.8
83.08611	13.7
83.09079	0.9
85.10173	20.1
89.06008	4.2
93.07030	1.5
95.08595	24.6
97.06517	0.9
97.10157	7.0
99.11755	1.0
103.07569	2.4
107.08590	1.3
108.90487	0.5
109.10152	10.6
111.11697	1.1
113.13302	0.7
114.86227	0.5
117.09172	0.7
121.10123	0.6
123.11691	4.5
125.13207	1.0
128.97864	0.5
135.11644	0.8
137.13252	2.3
151.14781	1.0
183.07712	0.5
185.87575	0.5
239.23686	4.4
257.24719	6.4
275.25717	0.7
298.27271	0.7
313.27338	100.0
314.13766	0.6
314.27713	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2732
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44715	0.5
55.05512	6.3
57.03158	0.8
57.03433	17.0
57.07070	53.0
62.39430	0.6
67.05501	10.4
69.07062	8.2
71.08624	32.9
71.20376	1.0
72.08955	0.9
79.05486	0.7
81.06599	1.1
81.07048	13.8
83.08614	9.2
85.10172	18.0
87.04464	0.8
89.06030	2.7
93.06995	0.9
95.08596	19.9
97.10152	6.0
99.11742	0.8
103.07558	2.0
109.10153	8.2
111.11716	1.1
123.11713	3.0
125.13289	0.6
137.13258	1.5
175.03963	0.7
193.69260	0.7
223.30798	0.5
239.23808	3.0
257.24756	3.5
289.82541	0.6
299.11304	0.9
313.27335	100.0
314.07010	0.6
314.13916	2.1
314.27795	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	313.2523
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	8.7
57.03163	0.9
57.03430	14.4
57.07072	55.2
59.04995	1.0
62.58966	0.8
65.03916	1.1
67.05500	23.0
67.31059	0.8
69.07066	11.8
71.04971	1.7
71.08245	1.6
71.08625	30.6
79.05481	6.3
81.06601	1.5
81.07050	20.7
83.04959	2.0
83.08614	11.8
85.06532	1.1
85.10171	17.0
89.06026	1.2
91.05468	5.0
93.07033	10.8
95.08603	29.5
97.06561	0.8
97.10166	5.4
99.11739	1.3
101.06055	0.9
103.05441	1.7
103.07549	1.0
105.07042	6.8
107.08587	9.1
109.06455	1.0
109.10148	40.7
111.08051	0.8
117.06968	1.5
119.08557	8.8
121.10134	13.4
123.08047	1.2
123.11698	6.5
131.04939	1.0
131.08551	5.7
133.10138	5.0
135.08047	2.7
135.11705	4.5
137.13216	2.6
143.08551	2.1
145.10072	3.8
147.07997	0.8
147.11673	5.1
149.09613	1.0
149.13264	2.8
157.10103	3.2
159.11713	4.2
161.09596	2.4
161.13284	4.3
163.11165	1.7
163.14787	1.5
165.12630	0.9
171.11681	1.9
173.13234	3.2
175.11195	2.9
175.14812	4.6
185.13181	1.9
187.14795	3.2
189.12717	2.9
189.16428	1.5
191.14285	1.8
199.14764	2.5
202.75261	0.9
203.14359	4.8
205.15785	1.3
211.14850	1.4
212.23654	1.3
215.17955	1.6
217.15823	1.4
221.22612	1.0
225.16299	1.6
227.18034	4.0
239.17964	1.0
239.23685	2.7
241.19395	1.0
255.21082	1.1
257.24805	3.4
295.24176	6.4
313.10764	1.3
313.27640	100.0
314.13800	1.0
314.24973	1.4
314.28006	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2733
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	8.6
57.03157	1.0
57.03432	19.6
57.07071	62.2
58.09196	0.7
67.05499	11.3
69.07060	9.5
69.65833	6.1
71.08625	39.4
79.05501	1.1
81.07050	15.0
83.08611	12.8
85.06540	1.1
85.10175	22.7
89.06010	3.4
91.05496	0.9
93.07015	1.0
95.08599	22.0
97.10160	6.7
98.21370	1.6
99.11712	1.3
103.05446	1.2
103.07558	1.3
109.10156	9.6
111.11693	1.3
123.11710	4.1
131.04922	1.1
135.04417	0.8
137.13213	2.4
139.63289	0.8
145.12234	0.7
151.67485	0.8
175.03914	0.9
239.23669	5.0
257.24680	5.7
298.10776	2.5
298.27554	1.3
301.75046	0.8
313.27338	100.0
314.13910	3.7
314.27686	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	313.237
Annotation	Octadec-9-ene-1,18-dioic-acid
Peak:m/z	Relative Intensity
51.37508	10.4
54.12512	10.1
55.01864	40.0
55.05501	51.8
57.03431	28.3
57.07067	43.1
67.05488	89.4
69.07061	53.4
70.94228	25.2
70.94584	19.4
71.08620	44.9
79.05495	65.3
81.07040	89.6
83.04957	18.1
83.08607	35.0
85.10175	16.0
91.05465	42.5
93.07044	57.3
95.04967	25.0
95.08595	100.0
97.06518	20.3
97.10172	32.7
99.08083	12.3
103.05457	44.0
105.07021	36.9
107.04917	11.6
107.08584	41.4
107.47282	10.4
109.10137	34.0
113.09648	18.8
117.06989	11.7
119.08596	25.3
121.10120	30.3
121.95254	10.5
123.08042	19.6
123.11672	21.6
125.09610	20.2
131.04950	28.4
131.08560	19.5
133.10091	20.9
135.04422	19.7
135.08047	10.7
135.11679	24.6
137.09616	11.2
139.11153	25.0
141.12747	14.1
143.08603	13.8
145.10129	26.3
147.11690	17.3
148.05186	19.9
149.13251	12.3
151.07584	12.7
151.11206	24.1
157.10172	14.7
159.11638	13.0
163.07536	15.6
163.11157	11.0
165.12604	14.1
175.03926	18.7
187.03831	12.8
241.08571	21.9
243.10115	15.7
253.12434	12.3
277.21506	50.0
295.22650	48.4
298.10736	45.8
299.11343	24.4
313.07071	59.8
313.10370	19.2
313.17883	41.5
313.21353	15.9
313.27383	47.1
313.32663	12.2
314.13812	87.0
330.49698	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	313.2369
Annotation	9,10-Epoxy-13-hydroxy-11-octadecenoate
Peak:m/z	Relative Intensity
53.03931	2.8
55.01850	6.4
55.05505	22.2
57.03416	10.4
57.07066	13.2
59.38890	2.3
62.53253	2.7
67.05498	67.9
69.07066	20.9
70.29047	2.4
70.99290	5.5
70.99632	4.7
71.04994	20.0
71.08242	5.8
71.08623	81.2
75.63140	2.2
79.05488	28.8
81.03390	4.8
81.06602	3.3
81.07047	42.4
82.06567	5.8
83.04965	17.1
83.08603	21.1
85.06534	4.2
85.10130	4.5
91.05452	14.4
93.07026	37.9
95.04944	7.4
95.08604	29.7
97.06522	14.5
97.10153	9.5
99.08084	65.8
99.87015	2.4
103.05441	4.9
105.07002	11.3
107.08598	23.5
109.06478	3.2
109.10130	22.8
111.08046	6.3
117.06986	6.0
119.08546	13.7
121.10163	12.1
123.11669	3.1
125.09618	7.2
127.11156	14.6
131.04938	5.3
133.10101	9.3
135.04384	4.4
135.11693	15.3
137.09601	4.2
140.52034	2.4
141.12729	72.0
143.08533	3.1
145.10167	12.1
147.11664	7.1
148.05180	4.5
149.13231	8.5
151.11177	17.2
153.12735	7.9
161.13219	10.7
163.11150	18.8
165.12735	8.5
169.12210	29.9
175.03902	2.9
175.14862	3.0
177.12778	2.8
179.14330	14.5
185.13165	2.7
189.11185	5.3
191.06833	3.1
231.21024	3.8
241.19524	5.4
249.22249	2.7
259.20535	9.3
277.21594	67.8
278.21802	4.2
295.22632	100.0
296.22931	4.3
298.10645	6.7
299.11765	3.7
313.07187	5.7
313.10629	2.8
313.27411	4.4
314.13818	11.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2369
Annotation	9,10-Epoxy-13-hydroxy-11-octadecenoate
Peak:m/z	Relative Intensity
50.42635	5.3
53.03933	10.9
55.01858	34.4
55.05502	55.0
57.07061	25.8
59.04984	6.5
60.04512	19.8
67.05495	100.0
69.03443	9.4
69.07067	47.5
70.06594	6.3
71.05013	13.1
71.08613	15.1
71.75208	8.9
77.22354	6.8
79.05499	47.7
81.03414	11.5
81.07044	82.5
81.31013	5.7
83.04965	14.1
83.08598	27.5
84.08152	9.1
85.06496	9.9
91.05464	16.0
93.07027	49.3
95.04945	19.5
95.08598	59.4
97.06522	16.1
97.10165	43.2
102.08778	7.0
103.05457	11.0
105.07006	21.7
107.08582	41.1
109.06473	10.7
109.10149	64.4
111.08038	9.3
117.06944	11.9
119.08569	24.9
121.10114	28.1
123.08035	15.8
123.11690	11.0
125.09637	33.0
131.04906	21.0
133.10117	14.3
135.07976	9.6
135.11681	22.6
136.06088	5.7
137.05930	10.9
137.09637	11.0
139.11195	35.3
145.10040	6.5
147.11684	14.0
148.05170	11.5
149.13255	13.6
151.07510	11.6
151.11143	7.9
161.13278	7.4
162.06746	6.7
163.07504	7.1
164.74915	5.6
165.09081	7.1
165.12793	8.3
173.11749	28.5
175.03845	11.5
179.14328	8.5
181.12268	8.4
187.03821	9.4
189.11206	18.5
193.06465	7.8
237.74088	5.8
238.06143	7.6
241.08540	12.7
241.19408	7.7
249.22093	20.8
259.20599	6.0
269.07928	5.8
277.21588	69.8
278.22137	6.5
281.08047	6.7
285.11069	11.5
295.22592	46.4
298.10699	21.7
313.07425	6.1
313.10751	23.2
313.27332	6.7
314.13852	35.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.237
Annotation	9,10-Epoxy-13-hydroxy-11-octadecenoate
Peak:m/z	Relative Intensity
55.05505	13.5
57.07054	7.6
67.05499	19.0
69.07040	16.8
70.48606	26.2
79.05479	12.3
81.07051	19.3
83.08640	8.8
85.10173	19.1
90.36893	6.5
91.05450	12.5
93.07015	10.2
95.04934	7.9
95.08607	11.3
103.05458	7.9
107.08592	7.4
109.10150	15.1
113.09634	10.1
131.04903	13.0
135.04462	6.1
163.07527	7.4
165.12747	12.1
189.64029	6.5
277.21594	29.3
295.22653	100.0
296.23163	6.8
298.10925	9.9
309.79636	7.4
313.27567	8.4
314.13852	22.7
321.99796	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	313.2368
Annotation	(7S,8S)-DiHODE
Peak:m/z	Relative Intensity
55.05494	60.4
57.07068	25.0
57.36505	13.0
67.05484	61.1
69.07053	17.3
70.04929	88.0
71.04961	14.5
71.08608	65.1
79.05479	37.0
81.07058	100.0
82.86657	15.5
83.08603	41.4
91.05455	40.7
93.07032	43.5
95.08595	58.0
97.06543	22.6
99.08084	52.4
105.07002	34.2
107.08578	28.2
109.06547	18.2
111.08058	23.1
119.08537	32.1
121.10098	20.8
131.04890	19.4
135.11696	26.6
149.13145	20.3
151.11153	32.2
161.13237	14.9
165.12668	18.5
277.21570	99.6
295.22571	52.2
298.10666	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	313.237
Annotation	(7S,8S)-DiHODE
Peak:m/z	Relative Intensity
55.05505	48.2
57.07070	18.9
57.44179	10.2
66.39077	8.7
67.05501	92.3
67.48553	8.6
69.07063	32.8
69.99386	27.2
69.99799	37.2
71.04997	17.8
71.08627	48.8
71.21240	11.4
79.05491	31.9
81.03404	11.7
81.07064	70.2
83.04981	26.5
83.08617	37.8
85.06535	11.6
91.05475	31.9
93.07049	55.4
95.08614	42.7
97.06496	20.2
97.10159	21.2
99.08108	37.4
103.05495	10.4
105.07022	29.6
107.08588	38.0
109.10126	49.6
119.08547	22.6
121.10146	43.0
123.11697	20.2
125.09635	27.9
133.10130	19.8
135.11694	27.2
141.12726	37.6
147.11670	30.2
149.13223	22.8
161.13327	15.9
165.12753	24.2
169.12234	26.7
189.28183	10.4
257.17554	10.2
259.20551	12.8
277.21603	99.2
295.22684	100.0
313.27570	13.2
314.13840	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	313.2371
Annotation	9,10-Epoxy-13-hydroxy-11-octadecenoate
Peak:m/z	Relative Intensity
51.77194	10.6
55.01857	34.3
55.05497	46.2
57.03428	21.6
57.07058	41.3
67.05510	89.6
67.73427	10.4
69.07053	36.5
71.04975	16.1
71.08633	100.0
71.75509	13.0
72.60548	10.1
79.05476	42.0
81.07059	78.8
83.04971	25.4
83.08599	33.3
85.06512	15.1
85.10171	14.0
91.05473	24.7
93.07023	40.5
95.04971	16.5
95.08591	46.1
97.06506	16.5
97.10149	24.4
99.08092	57.8
103.05453	34.9
105.07011	33.1
107.04936	10.7
107.08577	36.6
109.10139	42.3
111.08068	10.7
114.15965	10.8
119.08576	28.5
121.10137	23.7
122.81149	12.6
123.11630	13.2
125.09634	24.9
127.11097	11.8
131.05005	20.4
133.10106	22.6
135.04373	19.7
135.11681	24.4
137.05933	20.9
141.12750	60.1
145.10155	11.3
146.14215	11.1
148.05144	18.1
149.13188	15.0
151.07602	16.5
151.11122	16.2
153.12646	12.1
161.13234	13.5
163.11157	20.7
165.06999	10.9
169.12251	34.9
175.03848	21.6
176.04672	10.3
179.14282	15.2
187.03923	14.9
199.07494	12.2
202.78011	11.6
229.08508	11.2
277.21655	69.1
295.13696	11.3
295.22693	93.3
298.10730	67.4
299.11469	39.8
313.10715	29.2
313.27228	75.2
314.13788	97.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1402
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.3
55.05523	0.2
57.03444	0.2
60.85019	0.2
61.92329	0.2
65.03938	1.9
67.05501	0.3
69.03410	0.4
69.07049	0.6
70.06574	0.6
72.08137	0.5
79.05490	0.3
81.03428	0.3
81.07035	0.5
86.09692	0.3
88.03988	1.4
91.05468	100.0
92.05807	1.5
93.07066	0.2
103.05429	0.4
105.06998	0.3
121.02843	0.3
134.00049	0.2
136.06133	0.3
136.07600	0.4
137.02306	0.3
137.05983	0.5
148.06171	2.3
149.10730	0.2
149.44553	0.3
151.07524	0.3
162.05574	0.3
175.03867	0.2
176.08084	0.3
179.03413	0.6
195.02815	0.3
199.63240	0.2
226.10846	53.9
226.59407	0.3
227.11195	1.1
238.10927	0.8
243.11188	0.3
252.12418	1.2
267.06595	0.5
267.13507	6.9
268.11835	1.3
269.15070	4.0
283.05902	0.5
284.06720	0.6
295.05994	0.3
296.11368	0.2
313.07108	7.6
313.14038	51.9
314.07367	0.5
314.14432	1.2
324.94348	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2368
Annotation	9,10-Epoxy-13-hydroxy-11-octadecenoate
Peak:m/z	Relative Intensity
53.03930	5.2
55.01872	18.0
55.05505	60.3
57.03423	16.8
57.07060	16.8
59.66076	3.7
65.03913	6.1
67.05494	96.1
69.03425	8.1
69.07063	27.9
70.85715	4.1
70.86038	6.1
71.04987	29.8
71.08622	60.6
72.08147	6.6
78.15663	3.4
79.05487	41.7
81.03402	8.7
81.07047	77.7
82.07391	5.7
83.04975	26.4
83.08599	39.2
85.06531	11.4
85.10170	5.3
88.19213	3.6
91.05457	32.2
93.07030	54.0
95.04958	16.5
95.08604	47.1
97.06524	14.5
97.10151	41.9
99.08070	37.4
103.05448	17.2
105.07034	17.0
107.08573	35.7
108.08968	4.4
109.06515	9.2
109.10152	49.4
111.08070	10.0
113.09657	6.2
117.07037	6.8
119.08553	21.1
121.10141	20.1
121.20588	3.9
123.11696	13.3
125.09603	35.1
127.11179	11.9
129.06978	4.7
131.04904	9.0
131.08569	9.3
133.10121	19.8
134.99632	5.1
135.04437	7.3
135.07999	8.0
135.11693	21.1
137.05948	5.4
137.09662	4.8
141.12723	78.9
141.13792	5.8
142.13150	4.6
143.08549	4.8
145.10129	16.3
147.04411	5.5
147.11693	12.9
148.05188	12.3
149.09625	6.5
149.13290	4.2
150.46474	4.1
151.07570	4.8
151.11159	12.1
153.09120	5.5
153.12665	17.3
159.11693	8.3
161.13271	13.7
163.07462	6.1
163.11148	13.4
163.14763	4.8
165.12769	6.0
169.12242	33.3
171.10188	4.9
171.11652	7.5
175.03886	12.0
179.14253	8.6
181.12273	7.8
189.11189	39.1
189.12700	6.6
212.10719	3.7
221.15335	5.0
225.20419	5.1
241.08591	9.2
241.19476	5.5
253.08669	4.7
259.20578	10.5
277.21625	88.9
278.22137	3.9
284.06796	4.8
295.22620	100.0
296.23053	5.2
298.10742	11.3
299.11557	10.1
313.07062	22.4
313.10660	7.0
313.18100	4.6
313.24567	4.9
314.14041	23.2
314.17264	6.0
326.23068	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	313.0704
Annotation	Acicerone
Peak:m/z	Relative Intensity
55.05481	0.8
57.07057	1.1
60.19676	0.5
61.88678	0.6
67.05481	0.9
68.99781	1.2
70.06578	0.7
71.08617	0.6
71.74918	1.0
79.05494	0.9
81.07040	1.4
91.05494	0.7
95.08604	0.8
103.05450	2.9
109.10152	0.6
131.04886	1.7
135.04366	1.1
139.05357	0.8
144.05704	0.7
148.05190	0.9
151.03979	0.7
155.04933	1.3
156.05684	0.9
159.08076	0.6
161.06030	0.7
163.07494	1.2
167.04912	2.2
170.03598	1.5
171.04422	1.0
175.03880	2.0
184.05231	1.5
187.07516	1.1
189.75708	0.7
195.04378	1.7
199.07526	0.7
212.04675	6.2
221.06041	1.2
223.03952	0.8
227.07018	2.5
238.06406	0.8
240.04178	13.4
241.08578	0.9
242.05661	0.7
253.04968	2.3
253.08539	1.1
255.06477	11.9
257.08057	1.6
268.03647	9.6
270.05167	2.4
276.96658	0.6
283.05997	11.0
298.04666	9.1
313.07050	100.0
314.07465	3.3
314.14044	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1404
Annotation	Unknow
Peak:m/z	Relative Intensity
54.29330	0.1
55.05502	0.3
57.03413	0.2
57.07054	0.2
65.03934	1.8
67.05495	0.2
67.76924	0.1
68.99801	0.1
69.03408	0.4
69.07077	0.5
70.06595	0.6
70.07379	0.2
71.05000	0.1
71.74369	0.2
72.08143	0.4
73.24050	0.1
79.05479	0.3
81.03424	0.2
81.07059	0.3
82.45970	0.1
83.08587	0.3
84.04481	0.2
84.08126	0.4
85.02879	0.2
85.89915	0.1
86.09688	0.2
88.03983	1.3
89.03904	0.1
91.05470	100.0
92.05804	1.0
93.07022	0.2
95.04945	0.1
95.06126	0.1
95.08622	0.1
103.05430	0.2
105.03380	0.2
105.38366	0.1
107.04911	0.2
110.07186	0.2
111.04405	0.1
116.07081	0.3
119.04923	0.2
120.08136	0.1
121.02886	0.1
129.10251	0.1
131.04945	0.1
134.05974	0.1
135.04408	0.2
136.06093	0.5
137.02327	0.3
137.05943	0.3
144.07927	0.1
148.05226	0.1
148.06177	2.5
149.10710	0.3
150.40332	0.1
151.07506	0.2
161.05978	0.2
175.03839	0.2
176.08029	0.4
177.05489	0.1
179.03423	0.5
191.06972	0.2
197.00804	0.1
209.08179	0.5
209.88330	0.1
215.36629	0.1
219.08150	0.1
224.09410	0.2
226.10851	56.6
227.11200	1.2
234.88354	0.1
238.10890	0.9
239.06947	0.1
241.08801	0.1
252.12488	1.2
267.06342	0.2
267.13510	7.0
268.11835	1.7
268.14249	0.1
269.15134	4.2
270.05139	0.2
270.15363	0.1
271.10568	0.2
283.05875	0.2
284.06696	0.4
296.11377	0.2
313.07147	4.6
313.14044	54.2
314.07263	0.3
314.14435	1.6
333.46472	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	313.07
Annotation	5-Hydroxy-7-methoxy-3',4'-methylenedioxyflavone
Peak:m/z	Relative Intensity
53.03909	0.3
55.01848	0.2
55.05506	0.5
57.03406	0.2
57.07040	0.3
64.66618	0.1
65.03934	1.2
67.01829	0.4
67.05495	0.7
68.99777	0.7
69.03387	0.4
69.07034	0.3
70.06555	0.3
71.04517	0.3
71.04952	0.2
71.08598	0.2
72.08109	0.1
79.05450	0.4
80.84349	0.1
81.02954	0.1
81.03403	1.7
81.07047	1.0
83.01292	0.2
83.04956	0.2
83.08575	0.3
83.32415	0.1
85.02460	0.1
85.02886	1.0
85.06509	0.4
87.04432	0.2
88.38457	0.1
89.03896	0.1
91.05479	0.9
91.15475	0.1
92.11960	0.1
93.03387	0.8
93.07046	0.5
95.04926	0.4
95.08587	0.7
97.02864	0.2
97.06462	0.2
97.10128	0.1
99.04434	0.1
99.08049	0.1
103.05433	0.4
105.03350	0.3
105.07011	0.5
107.01289	0.2
107.04897	0.1
107.08572	0.5
109.02867	1.4
109.06485	0.2
109.10150	0.5
110.03634	0.2
110.07046	0.1
111.00767	0.1
111.04400	0.3
111.08022	0.1
114.09171	0.1
118.04134	0.2
119.04927	2.1
119.08547	0.3
121.02852	6.0
121.10103	0.3
123.04420	0.1
123.08008	0.2
123.11662	0.2
124.01530	0.2
125.02284	0.3
125.09628	0.2
127.03854	0.2
131.04858	0.3
131.08516	0.2
133.02853	0.6
133.06476	0.1
133.10095	0.2
135.04337	0.2
135.08022	0.1
135.11687	0.1
135.55225	0.1
137.02299	0.2
137.05940	0.2
137.09561	0.2
138.03090	0.5
141.01779	0.2
143.08502	0.1
145.02834	2.3
145.06418	0.1
147.04353	0.3
147.11618	0.2
149.02312	2.7
149.13245	0.1
151.03836	0.2
153.01825	1.3
155.08571	0.1
159.11670	0.1
161.05920	0.1
161.09669	0.1
163.03911	0.8
163.07500	0.2
165.01797	0.9
165.06934	0.3
165.09091	0.1
166.02539	0.3
167.03378	7.2
167.08508	0.1
168.03728	0.1
168.05586	0.1
169.06445	0.2
170.02086	0.3
175.03842	0.2
176.04716	0.1
177.00404	0.1
177.01805	2.0
179.03358	0.3
181.06404	0.2
183.02866	0.4
183.08051	0.4
184.03632	0.4
186.06593	0.1
187.03838	0.3
189.11143	0.1
195.02867	4.2
195.07939	0.3
197.05946	0.2
197.13419	0.2
199.07419	0.2
202.06210	0.2
210.06741	0.1
211.07484	0.6
213.03743	0.2
213.05499	0.3
215.06941	0.3
215.44110	0.1
221.05876	0.2
227.07065	0.6
228.07825	0.2
229.04926	1.8
237.05464	0.2
238.06189	0.1
239.06978	2.4
239.12599	0.2
240.07446	0.1
241.08551	0.3
242.05676	1.1
247.05887	0.3
253.04944	0.1
253.08543	0.1
255.06503	1.8
256.07263	2.2
257.07925	0.2
266.05713	0.2
267.06485	12.7
268.06918	0.5
269.04376	0.8
269.07269	0.1
270.05191	4.5
270.07803	0.2
271.05765	0.2
277.21747	0.1
281.08032	0.1
283.05972	10.7
284.06741	15.3
285.07388	1.6
285.10751	0.1
295.05975	8.7
296.06427	0.3
313.07016	100.0
314.07373	3.6
331.04269	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	313.07
Annotation	5-Hydroxy-7-methoxy-3',4'-methylenedioxyflavone
Peak:m/z	Relative Intensity
51.02362	0.1
53.03905	0.3
55.01849	0.3
55.05499	0.4
57.03399	0.2
57.07040	0.1
62.80619	0.1
65.03934	1.4
67.01861	0.5
67.05466	0.2
68.99778	0.9
69.03410	0.2
69.07018	0.3
70.06550	0.3
70.07381	0.1
71.04942	0.1
71.08586	0.1
71.73273	0.1
71.73631	0.1
72.08123	0.2
74.02512	0.1
77.03902	0.1
77.61552	0.1
79.05437	0.2
81.03407	1.4
81.07066	0.4
82.06532	0.1
83.01313	0.2
83.04937	0.1
83.08566	0.3
84.04469	0.1
84.08109	0.2
85.02878	0.6
89.88783	0.1
91.05473	2.8
93.03393	1.1
95.04939	0.4
95.08559	0.3
97.02840	0.1
100.11187	0.3
101.21323	0.1
103.05423	0.3
105.03373	0.5
105.07011	0.6
107.01289	0.2
107.04897	0.2
107.08543	0.2
109.02866	0.8
109.10121	0.2
111.00776	0.1
111.04417	0.5
111.05058	0.1
116.07036	0.1
119.04932	0.9
119.08521	0.1
121.02854	6.1
121.10104	0.2
123.04381	0.2
123.07958	0.1
124.01587	0.1
125.02328	0.2
127.03844	0.1
131.04897	0.2
131.08556	0.1
133.02856	0.7
135.00754	0.1
135.04367	0.1
135.08046	0.1
137.02286	0.1
137.05937	0.2
138.03088	0.3
139.03871	0.1
139.07518	0.1
141.01773	0.3
141.06914	0.1
141.11417	0.1
145.02831	2.0
145.06444	0.1
147.04353	0.3
148.05119	0.1
149.02321	4.0
150.02638	0.1
151.03830	0.1
151.07495	0.3
152.06192	0.1
153.01831	0.6
153.06929	0.2
155.08571	0.1
161.09564	0.1
163.03891	0.8
163.07518	0.2
165.01830	1.0
165.06956	0.4
166.02550	0.2
167.03386	8.1
168.03757	0.1
169.06479	0.1
169.09595	0.1
173.02321	0.1
173.05812	0.1
175.03961	0.1
177.01814	1.9
179.03362	0.2
181.06378	0.2
182.15247	0.1
183.02898	0.6
183.08029	0.2
184.03638	0.3
185.05740	0.1
187.03847	0.3
189.05444	0.1
195.02879	2.5
197.05948	0.3
199.07550	0.1
200.08344	0.1
202.06197	0.2
203.06935	0.1
209.11563	0.1
210.06784	0.2
211.07487	0.6
213.05457	0.2
215.06995	0.4
218.66209	0.3
221.05881	0.2
225.05431	0.2
225.08897	0.1
226.10741	0.1
227.07010	0.5
228.07727	0.3
229.04915	2.5
229.08429	0.1
238.06140	0.2
239.07002	2.8
240.07596	0.1
241.04996	0.2
241.08504	0.2
242.05714	1.3
247.06033	0.3
249.05363	0.1
253.04790	0.2
255.06493	2.2
256.07236	2.1
257.08008	0.3
266.05695	0.3
267.06497	16.4
268.06888	0.7
268.11584	0.1
269.04367	0.4
269.08453	0.1
270.05206	3.7
270.08191	0.2
271.05618	0.2
281.08020	0.1
283.05984	11.7
284.06747	14.8
285.07449	1.6
295.05984	10.0
296.06195	0.4
298.04611	0.2
313.07025	100.0
314.07358	3.2
314.12399	0.8
314.19666	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.9803
Annotation	Unknow
Peak:m/z	Relative Intensity
71.14786	6.8
71.15130	14.0
94.93006	9.5
152.99161	7.5
156.97472	12.3
170.94353	7.7
174.89677	8.8
174.98557	18.1
176.89403	13.4
184.97267	25.4
186.91689	90.6
197.00546	11.7
208.97025	11.0
214.85004	100.0
225.00092	20.4
226.90904	57.9
226.98001	21.4
243.00829	7.3
244.91986	39.0
244.99312	6.6
266.50754	6.4
270.89938	19.1
276.96341	7.0
288.98178	10.3
312.98062	47.1
313.09216	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	313.0697
Annotation	5-Hydroxy-7-methoxy-3',4'-methylenedioxyflavone
Peak:m/z	Relative Intensity
50.01593	0.1
53.03928	0.3
55.01859	0.2
57.03405	0.3
65.03625	0.1
65.03933	1.0
67.01859	0.4
67.05497	0.1
68.99766	0.7
69.03398	0.1
69.16806	0.1
69.40185	0.2
69.40606	0.4
70.06577	0.1
79.05450	0.1
81.02945	0.1
81.03410	1.5
83.01309	0.1
83.04972	0.1
85.02891	1.0
86.09695	0.1
91.05471	0.5
93.03385	0.8
95.01321	0.1
95.04958	0.3
97.02869	0.1
98.21381	0.1
98.62219	0.1
103.05457	0.1
105.03380	0.3
105.07026	0.1
107.01302	0.1
107.04916	0.1
109.02863	1.1
110.03649	0.1
111.00777	0.2
111.04407	0.2
117.06955	0.1
118.04137	0.2
119.04932	2.3
120.07410	0.1
120.08096	0.7
121.02850	6.6
123.04404	0.2
124.01540	0.1
125.02361	0.3
127.03878	0.2
131.04892	0.2
133.02863	0.5
133.06506	0.1
135.00725	0.1
135.04390	0.1
137.02324	0.1
137.05956	0.2
138.03090	0.6
139.03876	0.1
141.01791	0.1
141.06943	0.1
143.08537	0.1
145.02827	2.4
147.04395	0.3
149.02315	3.0
151.03798	0.1
151.07446	0.1
152.00978	0.1
153.01805	1.0
153.06966	0.1
157.06409	0.1
161.05981	0.1
163.03873	0.8
163.07532	0.1
165.01813	1.0
165.06976	0.3
166.02571	0.4
167.03383	7.5
168.03746	0.1
169.06448	0.1
170.02101	0.2
171.07974	0.1
173.02383	0.1
173.05898	0.1
175.03876	0.1
176.04639	0.1
177.01805	2.1
181.06293	0.1
183.02888	0.7
183.04427	0.1
183.08029	0.4
184.03676	0.7
187.03860	0.2
189.09082	0.1
193.06337	0.1
195.02875	4.3
195.07993	0.1
196.03349	0.1
197.05998	0.3
199.07530	0.2
202.06248	0.2
205.04840	0.1
210.06682	0.1
211.07520	0.6
213.03865	0.1
213.05496	0.3
215.07022	0.3
221.05957	0.2
227.06969	0.5
228.07742	0.3
229.04930	1.9
238.06351	0.1
239.07005	2.1
240.07655	0.1
241.04854	0.2
241.08630	0.2
242.05702	1.2
243.06306	0.1
247.06001	0.2
249.05794	0.1
253.04883	0.2
255.06483	1.9
256.07272	2.2
257.04974	0.1
257.07956	0.2
266.05606	0.3
267.06491	12.7
268.06870	0.4
269.04443	0.9
269.07852	0.2
270.05203	4.2
271.05771	0.2
283.05975	11.6
284.06747	15.0
285.07370	1.7
295.05988	8.5
296.06171	0.4
298.04248	0.1
303.94537	0.1
313.07016	100.0
314.07355	4.6
333.49908	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	312.1651
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19012	1.5
52.48383	1.6
53.03953	2.3
55.01858	4.5
57.03424	5.5
61.02925	11.1
63.70317	1.6
69.03426	19.9
69.07056	12.1
70.06580	4.4
71.04979	2.9
71.48784	3.4
72.08147	3.5
73.02907	3.2
81.03428	9.6
83.11821	1.3
84.08133	5.8
85.02898	100.0
86.09688	2.2
87.04454	3.7
87.08100	18.7
91.03957	6.3
91.05506	2.1
95.01315	1.9
95.04967	2.7
97.02888	25.9
99.04454	4.7
105.03376	10.8
105.09126	2.5
106.03719	11.1
108.08075	1.8
109.02881	8.7
118.06509	3.1
123.04403	2.1
127.03913	26.4
130.06490	2.6
133.08609	5.3
141.85938	1.5
145.04944	43.0
147.04340	1.7
153.14584	1.4
154.06529	1.5
160.07617	2.1
163.06070	8.4
165.92014	1.3
167.07333	3.0
168.08087	5.1
178.06395	2.6
180.08025	8.0
194.09625	3.9
196.07585	5.3
204.07950	3.0
208.07677	1.5
220.07684	3.7
222.09094	4.9
224.07199	3.0
236.07007	2.3
242.08154	1.9
248.07233	3.2
250.08589	10.4
252.91240	1.6
276.06436	1.5
294.07513	3.2
312.17999	16.6
313.09137	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	312.165
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.4
55.01862	5.5
57.03423	6.3
61.02919	12.8
69.03426	18.9
69.07061	13.0
70.06586	5.1
71.04991	2.7
71.47196	2.8
73.02912	5.8
81.03405	7.1
81.07056	2.0
84.08129	3.3
85.02901	100.0
87.04451	4.6
87.08100	16.2
91.03941	7.5
91.05471	3.2
92.63075	1.7
95.01331	3.0
95.04948	3.6
97.02883	29.9
98.06067	2.0
99.04435	4.8
105.03381	10.2
106.03714	7.4
109.02847	7.6
120.08109	2.5
127.03902	26.2
133.08563	5.6
137.05949	2.0
139.22626	1.8
145.04944	47.4
150.09151	3.3
163.06049	6.0
168.08136	2.6
180.08192	3.5
194.09760	3.0
194.11763	2.5
213.76288	2.3
222.09077	2.5
234.15309	2.0
236.16429	6.7
250.08708	8.3
252.12428	3.5
276.80771	2.3
294.07440	2.8
294.16745	2.2
301.15079	2.0
312.14407	4.7
312.18060	78.6
313.08960	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	312.2165
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23026	0.7
55.01844	1.4
55.05505	3.9
56.96572	0.8
57.03440	2.1
57.07057	0.9
65.03945	1.2
66.51633	0.8
67.05498	14.9
68.05003	1.0
69.03414	2.0
69.07065	3.9
70.06582	89.5
70.10654	4.8
71.04984	3.8
72.08148	4.7
75.68677	1.0
78.74915	0.7
79.05484	27.6
81.03405	6.6
81.06603	1.3
81.07046	15.3
83.04978	1.9
83.08611	1.2
83.71920	0.8
84.08153	1.1
91.05469	5.1
93.07032	4.9
95.04955	1.5
95.08598	23.2
96.08112	0.8
97.06546	1.0
97.10178	0.9
99.08089	1.7
103.05482	1.5
105.07009	10.0
107.04948	0.9
107.08578	47.6
109.02889	1.3
109.06484	1.8
109.10136	15.2
113.52231	1.0
114.05515	1.5
116.07076	100.0
119.04990	1.1
119.08554	5.6
121.10152	4.9
123.08059	3.6
123.11713	1.4
125.09602	0.8
128.07120	1.0
131.04901	0.8
133.10109	10.8
135.11668	1.2
137.05974	2.9
137.13258	1.9
138.06322	1.5
149.13240	40.1
150.12711	1.9
151.11143	4.3
151.14815	9.6
161.06000	1.0
161.13231	11.0
179.14297	15.3
179.15753	1.4
192.09001	0.9
196.13309	30.5
215.12758	0.9
220.08522	1.1
221.06108	1.0
224.20091	1.4
225.09161	0.9
238.18062	1.2
241.08649	1.0
252.10916	1.4
253.08759	1.3
266.17508	5.7
266.20612	1.4
280.10825	1.0
280.22696	0.9
294.20602	31.7
312.05676	1.5
312.13031	3.4
312.18018	2.3
312.21619	3.5
312.24948	1.2
313.07019	10.5
313.10751	3.0
313.16647	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.1439
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78577	0.3
52.52545	0.4
53.98316	0.4
55.05499	0.5
56.05025	1.1
57.07071	1.0
61.02943	0.4
65.03925	0.5
67.05496	5.5
68.05006	0.4
69.03418	1.1
69.05785	0.4
69.07053	2.7
70.06582	3.6
71.04974	0.4
71.14892	0.9
72.08147	1.2
74.02435	7.4
79.05475	0.4
81.03409	0.7
82.06570	0.6
84.04502	1.1
84.08134	100.0
85.02888	3.9
85.06542	3.1
85.08469	0.9
86.09696	1.8
88.03979	0.5
90.12464	0.4
91.05470	1.5
92.05811	0.4
95.04963	1.3
97.02882	1.1
98.21029	0.6
100.57607	0.3
102.09179	1.0
103.05439	0.6
105.03383	1.8
105.07031	0.5
106.03706	2.4
107.04957	0.5
109.02899	0.4
110.07133	2.2
112.05075	5.5
113.06013	0.7
114.67247	0.3
120.08082	1.0
124.05072	0.8
127.03924	1.3
129.10197	1.2
130.08630	16.3
131.04982	0.4
133.06462	0.5
136.07530	0.7
137.05956	1.3
138.06343	0.4
145.04955	1.6
147.04445	0.5
156.07713	0.5
161.05954	0.8
176.42213	0.4
180.11325	4.5
189.09099	0.8
203.10649	1.2
242.08128	0.4
249.11212	1.0
250.08691	0.5
252.11002	0.4
266.13867	15.9
280.10443	0.7
295.11713	1.3
312.14395	21.1
313.14810	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.155
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35385	0.6
59.40853	0.6
69.07061	36.3
69.41247	2.2
69.41686	4.6
95.02430	2.9
98.20630	1.2
112.05078	100.0
113.05441	0.9
124.05063	33.5
135.66527	0.7
180.11301	80.3
181.11641	1.9
297.67374	0.7
323.50339	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2576
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.8
55.01852	4.0
55.05507	66.8
57.03167	1.5
57.03432	28.3
57.06802	1.5
57.07070	28.4
67.05496	10.2
69.03410	1.4
69.07063	74.0
70.70219	1.6
71.08624	16.9
73.02914	2.2
79.05485	7.0
81.07053	15.5
83.04967	1.9
83.08611	62.2
85.10170	8.3
91.05479	1.8
93.07018	7.2
95.04954	1.6
95.08591	12.1
97.06519	6.4
97.10160	41.3
99.08099	1.2
105.07008	1.6
107.08591	6.9
109.10123	3.7
111.08045	1.7
111.11715	12.3
119.08514	1.1
121.10133	6.9
123.11674	1.9
125.09598	2.8
125.10543	1.0
125.13247	3.0
129.05487	2.0
131.08499	1.0
133.10069	1.2
135.04373	1.0
135.11690	6.6
137.05922	1.1
137.13271	1.1
139.11143	1.9
146.85416	1.1
149.13222	4.3
163.11182	1.1
163.14778	1.9
177.16455	1.1
209.11664	1.2
219.21112	1.3
237.11244	1.5
275.20065	1.0
293.20987	2.2
311.25775	100.0
312.26089	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	312.1295
Annotation	N,N-Dimethylguanosine
Peak:m/z	Relative Intensity
52.01292	0.3
56.46604	0.3
60.10563	0.3
69.07056	0.4
70.06577	2.8
71.03442	0.7
71.06099	0.8
72.08128	0.7
84.04474	0.3
84.08117	1.1
85.02879	0.6
86.09689	0.8
98.10240	0.3
103.05488	0.6
110.03522	3.6
110.07133	1.1
116.07083	0.3
120.08090	0.6
128.04555	1.1
129.10254	0.4
137.08214	2.3
153.04073	2.6
156.07770	0.3
158.08034	0.6
162.07750	0.6
163.07571	0.5
180.08778	100.0
181.09059	1.5
190.84531	0.3
312.15530	0.6
312.32602	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2577
Annotation	2-(5-Methoxy-5-methyltetrahydro-2-furanyl)-6,10-dimethyl-5,9-undecadien-2-ol
Peak:m/z	Relative Intensity
53.03934	1.9
55.01865	1.8
55.05509	58.6
57.03434	24.2
57.06807	2.0
57.07070	32.0
67.05501	11.4
68.99782	2.9
69.07063	73.1
69.15403	1.0
69.88953	6.8
71.08630	18.1
73.62167	0.9
73.91005	1.1
75.04447	1.2
75.59954	1.1
79.05486	6.4
81.06686	1.1
81.07052	13.3
81.26904	1.0
83.04974	1.7
83.08616	60.7
85.10173	7.7
85.41685	1.0
91.05470	3.0
93.07031	8.6
95.04982	1.4
95.08600	9.0
97.06514	6.0
97.10160	42.8
99.99979	1.0
100.31522	1.0
105.03398	1.8
105.07027	4.2
107.08585	5.8
109.06473	1.5
109.10152	4.6
109.77808	1.0
111.04384	1.3
111.08062	3.8
111.11718	12.6
118.07793	1.1
119.08559	1.1
121.10115	8.2
121.68535	1.1
123.11690	2.6
125.05999	1.5
125.09597	3.1
125.13264	3.1
135.04408	48.7
135.05406	1.6
135.11665	6.3
136.04778	1.1
137.13214	1.7
139.11195	1.8
146.07224	5.0
149.13261	4.3
161.09605	75.3
162.09927	3.7
163.14828	2.3
177.05460	4.6
203.10732	2.1
209.11736	3.0
219.20932	1.7
237.11211	2.5
255.10004	2.3
293.20950	1.2
311.16397	47.5
311.19803	3.7
311.25781	100.0
312.16852	3.0
312.26013	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2576
Annotation	2-(5-Methoxy-5-methyltetrahydro-2-furanyl)-6,10-dimethyl-5,9-undecadien-2-ol
Peak:m/z	Relative Intensity
53.03919	2.1
54.99270	0.9
55.01856	3.3
55.05503	71.5
57.03161	1.5
57.03429	29.8
57.06799	1.7
57.07069	33.2
61.11424	1.0
67.05492	12.2
69.07059	76.9
69.46691	10.3
70.07380	1.3
71.04979	1.1
71.08258	1.2
71.08620	16.6
71.72884	0.9
73.02914	1.9
73.49648	0.9
79.05483	8.6
81.07047	16.4
83.04950	1.9
83.08608	60.3
84.63479	0.8
85.10179	6.8
91.05465	2.2
93.07030	9.9
95.04940	1.4
95.08596	10.6
97.06506	7.1
97.10154	40.4
105.07021	2.4
107.08562	7.6
109.10134	3.9
111.08054	4.0
111.11700	11.2
119.08582	1.5
119.67451	1.0
121.10112	7.8
123.11678	2.5
125.09572	1.9
125.13254	1.6
129.05470	1.4
131.08527	1.1
131.40471	1.0
133.10085	1.5
135.11653	5.6
137.13234	1.4
139.11186	1.4
149.13242	3.1
163.14847	1.8
177.16373	1.4
190.61038	1.0
218.95026	0.9
219.20999	2.5
219.91501	1.0
237.22205	1.4
275.20032	3.1
311.17905	2.9
311.25751	100.0
312.26086	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	311.2577
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.1
55.01854	2.8
55.05506	63.6
57.03162	1.5
57.03431	25.3
57.06799	1.3
57.07070	28.1
67.05506	9.4
69.07061	68.5
70.07372	1.1
70.20199	4.5
70.85056	0.7
71.04972	1.1
71.08622	16.6
73.02894	2.3
77.44057	0.9
79.05484	6.5
81.07050	11.7
83.04972	1.0
83.08611	61.6
85.10172	7.8
85.53451	0.7
91.05495	0.9
93.07030	8.6
95.04919	0.8
95.08598	9.5
97.06524	6.6
97.10158	41.8
98.20772	1.1
107.08608	6.8
109.10136	3.3
111.08068	3.0
111.11710	11.5
121.10144	6.5
123.11694	1.9
125.09638	2.2
125.13245	2.4
135.11716	5.8
137.13271	1.5
139.11205	2.0
149.13232	2.8
163.14877	1.4
209.11740	1.2
219.21092	1.2
232.38681	0.8
311.25775	100.0
312.26108	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2577
Annotation	2-(5-Methoxy-5-methyltetrahydro-2-furanyl)-6,10-dimethyl-5,9-undecadien-2-ol
Peak:m/z	Relative Intensity
52.20992	1.6
53.03933	2.7
55.01867	2.5
55.05505	54.3
57.03431	29.9
57.07069	28.0
57.47882	1.5
61.06762	1.6
66.41137	1.5
67.05496	38.9
69.03391	2.0
69.07060	70.5
71.04976	2.8
71.08625	10.3
79.05482	16.1
81.07045	46.1
82.07375	1.8
83.04956	3.8
83.08610	45.1
85.06536	2.3
85.10165	5.3
91.05460	2.4
93.07042	24.8
95.04904	2.8
95.08598	36.3
97.06531	9.6
97.10156	26.0
99.08110	3.5
107.08580	13.8
109.10166	11.7
111.04455	2.7
111.08066	6.9
111.11694	7.6
121.10120	22.7
123.11678	5.2
125.05974	2.9
125.09615	3.8
135.04381	7.2
135.11676	20.8
137.05988	1.9
137.13249	5.0
139.11179	3.6
149.13226	8.6
153.05486	2.9
154.00833	1.9
161.09628	5.6
163.14761	2.6
177.16351	2.2
191.08684	3.3
191.10594	2.9
209.11667	20.1
219.08098	2.7
219.21075	3.1
228.08064	2.2
237.11195	19.1
237.22124	3.8
251.10661	3.0
255.12190	2.7
259.06110	2.2
279.10107	2.5
311.12497	3.0
311.25781	100.0
312.26053	6.9
312.32584	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2213
Annotation	(9Z,12Z,15Z)-(7S,8S)-Dihydroxyoctadeca-9,12,15-trienoic acid
Peak:m/z	Relative Intensity
55.01863	5.8
55.05505	26.0
56.77293	1.9
57.03425	4.3
57.07057	4.7
61.72820	1.8
67.05497	51.1
69.03424	5.0
69.07079	10.6
69.07373	2.0
70.10051	10.1
71.04979	11.2
71.08624	60.9
79.05487	22.4
81.03414	7.8
81.07050	28.2
83.04973	20.1
83.08631	13.2
85.02884	5.0
85.06541	3.7
88.67018	1.8
89.37118	2.1
89.79992	1.8
91.05475	18.4
93.07033	24.2
95.04964	12.3
95.08613	34.3
97.06528	9.5
97.10155	8.4
99.04433	2.4
99.08086	34.5
100.11243	2.3
105.07011	10.8
107.08581	8.7
108.18319	1.8
109.06519	3.3
109.10159	41.4
111.08086	3.5
117.07062	4.4
119.08565	12.4
121.06526	3.1
121.10146	5.2
123.08031	3.9
123.11729	2.2
125.09605	2.7
127.11199	3.1
131.08546	5.0
133.10155	11.3
135.08067	4.5
135.11647	2.6
137.09625	13.0
139.11162	54.7
141.09114	3.6
145.10097	4.8
149.09598	2.9
149.13301	3.4
151.11166	36.0
155.10648	16.0
159.11700	8.8
161.09604	10.4
163.11174	3.9
165.12767	5.8
170.77246	2.0
173.11722	18.8
177.12723	16.6
179.10648	7.5
183.49651	2.2
191.14328	3.5
195.13791	5.6
229.19495	4.0
241.79262	2.1
247.20540	5.2
257.19049	8.3
265.21677	3.5
275.20026	24.4
283.27408	2.3
293.21082	100.0
294.21405	3.4
302.67398	2.3
311.22052	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	311.2212
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07919	2.7
55.01854	14.6
55.05501	85.2
57.03416	3.6
57.07062	3.8
65.92038	2.4
67.05497	40.5
69.03421	8.3
69.07058	22.3
70.80338	2.8
71.04986	4.5
71.08621	22.0
71.19136	6.1
71.19472	5.1
79.05479	36.0
81.03403	25.9
81.07042	47.4
83.04955	26.8
83.08611	49.2
85.06508	3.2
90.43427	2.5
91.05458	21.8
92.92194	2.7
93.07022	26.2
95.04961	37.3
95.08588	22.8
97.06528	8.6
97.10161	40.2
98.63174	3.3
99.04403	3.3
99.08083	21.1
100.11256	6.2
105.07028	18.2
107.04928	9.9
107.08567	31.4
109.06499	9.9
109.10147	10.4
111.04419	12.6
111.08060	8.1
113.05999	3.6
117.06999	8.1
119.08571	14.4
121.10133	11.6
122.26357	2.9
125.09622	33.6
129.07016	3.2
131.08534	12.2
133.10101	10.0
135.08067	7.5
135.11710	5.6
143.08546	2.9
145.10117	11.5
147.08035	5.0
147.11615	4.5
149.09572	17.6
149.13245	2.8
153.09125	3.9
157.10088	6.4
159.11678	5.4
163.11179	53.5
167.10675	4.8
175.11154	3.6
177.12720	7.1
189.11116	13.9
193.12254	14.2
195.13747	15.8
211.13260	8.5
223.13293	11.4
247.20686	4.9
257.19089	4.3
265.21536	4.3
275.20035	34.5
293.21075	100.0
296.74585	3.8
308.28854	3.1
311.08887	3.1
311.16138	4.3
311.22150	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2212
Annotation	Porrigenic acid
Peak:m/z	Relative Intensity
53.03923	3.2
55.01863	9.7
55.05504	80.3
57.03421	3.8
61.79436	2.1
64.43027	2.3
67.05498	39.9
69.03415	5.0
69.07056	15.8
69.15598	2.0
70.71189	6.4
71.04964	4.2
71.08623	20.2
79.05490	31.3
81.03402	24.3
81.07047	45.9
83.04974	29.9
83.08610	50.9
85.06512	2.9
91.05482	23.1
93.07029	26.2
95.04398	3.6
95.04958	46.4
95.08598	15.8
97.06530	8.8
97.10161	37.3
99.08080	26.2
105.07021	16.2
107.04942	9.4
107.08578	32.8
109.06489	8.7
109.10149	16.3
111.04456	15.7
111.08061	12.0
117.07020	6.0
119.08560	11.9
121.06525	3.8
121.10152	13.4
123.11662	3.9
125.09630	32.0
131.08568	14.0
133.10127	8.9
135.08063	6.8
135.11694	13.0
137.09613	3.6
139.11139	4.5
143.48572	1.9
145.10103	15.8
147.08009	3.0
147.11702	9.9
149.09648	12.9
149.13217	2.7
153.09088	3.2
153.12776	3.7
157.10062	3.2
159.11722	4.9
163.11174	64.4
165.12627	2.7
167.10687	4.4
175.11140	4.9
177.12755	7.6
181.12170	5.1
189.11201	18.7
191.10675	3.6
193.12218	15.5
195.13815	18.9
211.13257	11.9
219.13876	2.6
223.13200	13.2
227.20018	2.1
247.20575	7.8
249.22139	4.4
249.82506	2.2
257.18808	4.8
265.21597	2.3
273.36554	2.1
275.20038	28.2
289.78656	2.1
293.21066	100.0
294.21368	4.0
311.22250	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	311.2212
Annotation	trans-EKODE-(E)-Ib
Peak:m/z	Relative Intensity
53.03946	9.1
55.01870	80.1
55.05506	64.9
57.07066	37.1
67.05495	100.0
69.03437	9.3
69.07045	34.2
70.45184	22.5
71.04966	6.7
71.08624	18.6
79.05483	42.4
80.50124	5.0
81.03395	21.4
81.07051	66.8
83.04964	19.6
83.08623	15.3
91.05476	50.8
93.07034	54.5
95.04955	24.5
95.08595	76.8
97.06506	17.3
97.10151	20.7
98.21209	8.8
99.08096	14.3
105.07027	19.8
107.04932	28.4
107.08567	26.0
109.06468	16.8
109.10149	36.2
111.04440	18.1
111.08032	7.4
113.09599	5.8
117.07018	18.5
119.08547	33.5
121.06483	12.7
121.10135	19.9
123.08076	15.5
123.11683	10.8
125.06024	6.8
125.09602	84.1
131.08586	18.8
133.10114	15.5
135.08070	27.8
135.11656	10.2
137.06042	8.8
137.09607	31.6
139.11089	5.2
145.10091	8.3
145.54089	5.2
149.09612	8.0
149.13248	10.3
151.11156	48.3
153.05481	14.1
159.11678	15.0
161.09576	6.7
163.11174	13.7
165.09154	6.7
167.10619	5.2
173.13295	9.8
177.12733	25.5
181.04858	5.5
181.12305	27.8
187.11340	7.0
191.10782	8.8
191.14351	9.9
195.13808	12.1
209.11711	71.7
229.19540	9.4
237.11201	64.8
239.18159	7.4
247.20598	18.6
255.12196	11.2
257.19046	19.1
265.21338	6.6
275.20059	49.4
279.10269	5.5
293.21066	70.8
311.12778	7.9
311.25589	11.2
312.32727	7.0
316.23981	6.1
329.89929	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	311.2213
Annotation	trans-EKODE-(E)-Ib
Peak:m/z	Relative Intensity
53.03928	4.6
55.01854	10.2
55.05507	40.3
57.03429	6.6
57.07067	23.5
67.05495	56.2
69.03406	5.2
69.07063	24.7
71.08623	4.3
71.75978	4.9
78.85799	3.4
79.05489	35.7
81.07052	54.9
83.04975	14.0
83.08615	25.5
85.02912	4.4
85.06520	7.1
91.05460	23.8
93.07032	32.6
95.04955	20.1
95.08601	40.7
97.02877	6.3
97.06519	9.4
97.10156	9.3
99.08105	6.3
105.07027	20.0
107.04979	9.8
107.08576	21.7
109.06500	6.8
109.10148	29.7
111.04453	17.6
111.08089	7.4
117.06969	9.2
117.95644	3.4
119.08567	13.8
119.24727	3.3
121.06435	7.0
121.10130	18.0
123.11672	10.7
125.05937	5.5
125.09624	9.9
131.08597	10.9
133.10120	15.0
135.11681	12.1
137.09586	5.9
145.10123	10.5
147.11745	4.7
149.09613	12.3
149.13240	4.7
151.11165	13.2
153.05453	11.6
159.11765	5.5
161.06102	4.1
163.11168	14.6
165.09070	4.7
165.12643	3.5
167.10762	4.0
181.12224	6.9
191.10672	9.1
205.12080	4.4
209.11736	44.9
223.13152	6.8
237.11194	36.4
247.20566	15.6
251.10635	4.1
255.12270	7.0
257.18900	4.7
265.21713	5.6
275.20026	47.0
293.18018	4.1
293.21069	100.0
311.05472	5.2
311.22021	5.5
311.25745	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2211
Annotation	9(S)-HpOTrE
Peak:m/z	Relative Intensity
52.97059	2.6
53.03944	3.1
55.01861	12.7
55.05506	24.6
57.07062	9.5
66.41715	2.8
67.05499	34.4
69.07067	22.4
70.33263	11.5
71.04994	6.5
71.08644	7.1
79.05479	28.9
81.03394	7.0
81.07052	46.9
83.04961	12.2
83.08611	15.2
85.06519	3.5
88.73073	2.6
91.05478	23.3
93.07029	27.2
94.97369	2.5
95.04953	21.3
95.07675	3.0
95.08594	31.0
97.06519	9.6
97.10156	12.4
98.21404	4.3
99.08061	7.4
105.07019	16.6
107.04935	9.4
107.08585	29.2
109.02834	3.0
109.06516	8.3
109.10144	13.6
111.04434	11.4
111.08079	6.8
117.06992	7.0
119.08562	15.2
121.06496	9.6
121.10139	21.8
123.08073	4.5
123.11715	3.4
125.09621	12.7
131.08568	15.2
133.10127	10.0
135.04384	3.1
135.08029	4.1
135.11662	10.6
137.09561	4.0
145.10115	12.1
146.37752	2.5
147.08028	2.6
147.11650	8.6
149.09613	10.7
149.13220	3.6
151.11180	4.4
153.05408	4.7
159.11703	6.8
161.09668	3.9
161.13223	3.3
163.11172	11.0
165.12726	7.2
167.10640	2.6
177.12724	3.3
181.12262	6.0
183.11826	3.0
188.74683	2.8
189.11209	4.1
201.16321	6.6
207.11424	2.9
209.11661	24.7
219.17450	9.0
223.13249	11.5
237.11191	21.2
255.12390	4.6
257.19040	3.6
257.64261	2.8
265.21625	3.1
275.20047	37.1
293.21075	100.0
294.21320	4.3
311.05429	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	311.2213
Annotation	trans-EKODE-(E)-Ib
Peak:m/z	Relative Intensity
53.03944	2.9
54.51955	1.5
55.01857	3.5
55.05509	18.7
57.03420	3.7
57.07066	10.2
67.05256	1.7
67.05505	17.8
69.07072	11.9
70.93133	3.4
70.93471	2.1
71.08628	11.1
78.94878	1.6
79.05482	15.8
81.03398	3.4
81.07048	18.3
82.20876	1.6
83.04967	6.8
83.08617	9.1
85.40682	1.7
91.05460	6.0
93.07047	11.0
95.04980	9.2
95.08607	11.0
97.06512	5.0
97.10160	7.6
99.08067	5.3
105.06985	10.3
107.04964	4.7
107.08559	9.7
109.06491	3.1
109.10148	6.8
111.04426	7.2
111.08037	2.3
116.39529	1.8
117.07038	2.8
119.08563	6.1
119.39909	1.7
121.06470	4.1
121.10126	6.0
123.11687	2.6
124.41286	1.9
125.05946	2.5
125.09616	6.7
131.08572	4.0
133.10135	5.4
135.08075	2.6
135.11671	4.0
137.09581	2.6
145.10101	3.4
147.11691	3.6
149.09596	4.5
149.13196	2.5
150.22659	1.9
151.11147	2.6
153.05461	4.8
153.09032	1.8
159.11696	3.4
161.13251	2.3
163.11165	4.2
165.12764	3.8
177.12872	1.7
181.12173	4.0
191.10710	3.2
209.09911	2.4
209.11757	24.3
210.02248	1.8
223.13318	5.6
237.11211	17.7
255.12276	3.6
257.18845	2.5
275.20044	19.1
293.21094	100.0
294.21298	3.5
311.05237	2.6
311.25754	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2214
Annotation	(9Z,12Z,15Z)-(7S,8S)-Dihydroxyoctadeca-9,12,15-trienoic acid
Peak:m/z	Relative Intensity
53.03940	7.1
55.01855	16.1
55.05507	49.2
56.17855	5.8
57.03420	6.6
57.07049	6.3
60.58170	5.9
67.05501	99.2
69.03405	10.4
69.07066	47.4
69.55187	26.6
69.55615	28.0
70.06565	10.2
72.08145	6.3
79.05480	55.5
81.03406	13.3
81.07053	100.0
83.04963	16.2
83.08601	27.9
85.02877	7.0
85.67539	6.1
91.05463	54.3
93.07039	61.5
95.04952	19.3
95.08607	60.4
97.06506	10.6
97.10159	23.7
98.21474	5.4
99.08091	7.1
105.03413	7.3
105.07020	51.3
107.08594	50.9
109.06494	19.6
109.10156	60.8
111.04479	6.2
111.08096	14.8
111.11670	8.5
117.06957	10.2
119.08570	38.4
121.06464	7.6
121.10132	28.9
123.08057	16.3
123.11681	12.1
125.09627	27.7
128.89230	6.2
131.08557	23.2
133.10104	34.1
135.08005	10.5
135.11658	17.3
137.06000	41.3
137.09584	9.8
143.08658	7.6
145.10100	20.8
147.11661	23.2
149.09598	15.4
149.13319	5.5
159.11690	17.3
161.13240	7.5
163.11189	8.1
165.06937	8.8
171.11653	9.6
173.11783	8.2
173.13240	14.9
177.12799	7.3
183.11687	10.4
187.07535	13.4
189.11209	17.5
191.08595	14.6
195.54060	6.1
219.08081	18.7
239.17896	7.4
247.07564	10.6
251.10667	23.7
252.00734	6.5
257.18961	17.7
275.17551	7.9
275.20071	76.4
279.10117	25.1
283.06027	10.5
293.21072	26.3
311.05588	37.7
311.08939	9.9
311.12686	35.4
311.23325	17.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2213
Annotation	(9Z,12Z,15Z)-(7S,8S)-Dihydroxyoctadeca-9,12,15-trienoic acid
Peak:m/z	Relative Intensity
53.03927	6.8
55.01851	6.3
55.05505	46.8
57.03432	18.3
57.07066	23.2
59.99265	2.1
66.80970	2.3
67.05500	44.2
69.03401	2.4
69.07063	51.0
70.37894	9.8
70.38255	4.0
71.04977	3.0
71.08626	7.9
79.05486	21.7
80.12650	2.5
81.07041	48.7
83.04977	7.7
83.08607	33.5
85.06538	2.5
85.10172	3.2
91.05479	14.6
92.02653	2.1
93.07040	25.7
95.04971	10.6
95.08598	36.6
97.06524	8.0
97.10163	16.0
97.63935	2.4
99.08081	5.5
105.07014	12.3
107.04943	5.3
107.08578	21.5
109.06474	3.1
109.10165	17.6
111.04431	12.3
111.08067	6.8
111.11745	4.8
113.09609	4.2
117.07034	4.5
119.08595	3.9
121.06519	3.0
121.10144	18.4
123.08013	2.9
123.11717	7.6
125.09589	5.8
129.07033	2.3
131.08537	5.3
133.10138	11.3
135.04399	100.0
135.08121	2.9
135.11678	17.6
136.04800	3.5
137.13249	5.3
138.03094	2.1
145.10152	5.0
146.07320	3.3
149.09592	6.2
149.13293	5.5
151.11200	8.4
153.05504	7.7
153.12755	2.6
154.47552	2.5
161.09592	46.7
161.10822	3.7
163.11221	7.9
177.12726	3.3
181.12297	4.5
184.15401	2.1
191.08578	2.7
191.10655	3.8
195.13843	3.3
209.11697	35.4
219.21066	2.8
223.12927	2.4
237.11205	27.5
237.22153	3.9
247.20442	2.7
255.12244	6.0
275.20114	16.8
293.21097	28.1
311.16278	3.9
311.25803	57.2
312.32471	4.3
315.55093	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	311.2212
Annotation	9(S)-HpOTrE
Peak:m/z	Relative Intensity
55.01868	8.0
55.05495	13.7
67.05484	27.3
69.07057	20.3
70.02152	7.8
70.02562	14.0
79.05501	16.2
79.53006	3.1
81.07047	31.1
83.04955	9.3
83.08606	6.8
91.05472	17.5
93.07037	16.8
95.04958	8.6
95.08624	18.6
97.06500	7.2
97.10165	5.2
102.94038	3.6
105.07035	24.9
107.04914	8.7
107.08588	15.6
109.06501	9.6
109.10129	9.5
117.07024	6.6
119.08556	12.4
121.06492	6.5
121.10120	11.5
123.08047	6.1
131.08557	10.1
133.10106	17.7
135.11693	4.4
145.10094	8.7
147.08044	3.5
147.11664	11.9
149.09610	5.9
151.11198	6.6
159.11668	5.7
163.11153	7.6
171.85541	3.9
173.13214	7.9
173.96736	3.5
181.96240	3.3
209.11763	4.9
218.59483	4.2
257.18970	9.8
275.20041	100.0
293.20990	39.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2213
Annotation	trans-EKODE-(E)-Ib
Peak:m/z	Relative Intensity
53.03949	1.0
55.01854	1.8
55.05509	12.8
57.07059	1.1
58.02583	0.9
63.83545	0.8
67.05501	5.0
68.74940	0.8
69.03410	2.1
69.07061	2.8
71.08626	10.5
71.62713	0.7
73.47740	0.9
79.05474	4.0
81.07053	6.2
83.04954	1.3
83.08606	6.5
88.45778	1.0
91.05492	1.4
93.07030	3.6
95.04958	2.0
95.08590	2.3
97.10178	10.2
99.08089	6.1
105.07034	1.3
107.04965	1.5
107.08618	3.5
108.05734	1.1
109.06519	1.2
109.10127	1.0
111.08089	1.3
117.07030	0.9
121.06525	6.0
121.10152	0.9
125.09631	7.0
133.10135	0.9
135.08046	1.4
151.11052	0.9
164.06967	0.8
177.12727	1.7
189.11243	3.1
209.11707	1.5
215.44127	0.8
247.20638	0.9
257.19196	1.3
275.20096	5.3
281.08627	0.8
293.21082	100.0
294.21420	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2212
Annotation	9(S)-HpOTrE
Peak:m/z	Relative Intensity
55.01854	16.9
55.05502	53.7
57.03411	6.6
60.82586	4.8
62.06575	4.9
63.90200	5.9
67.05500	53.0
69.07061	33.7
71.04967	12.2
71.40216	9.5
76.76310	5.2
79.05494	41.5
79.83091	5.3
81.07048	55.0
81.75501	5.3
83.04970	20.3
83.08620	35.9
85.02908	6.1
91.05466	23.1
93.07037	56.3
95.04961	59.2
95.08599	43.7
97.06509	13.4
97.10153	22.1
99.04418	9.8
105.07014	30.8
107.04929	7.6
107.08566	45.4
109.06495	8.1
109.10153	27.6
111.04421	23.1
111.08057	12.8
117.06979	12.8
119.08561	20.8
121.06441	6.8
121.10131	33.0
123.11715	8.2
125.09595	21.8
129.06952	6.1
131.08563	20.3
133.10126	25.8
135.08086	9.4
135.11679	22.4
137.09512	5.4
144.06056	5.1
145.10095	14.8
147.08026	8.4
147.11688	16.3
149.09604	34.7
149.13309	5.5
159.11656	9.7
163.11212	28.2
173.13222	6.5
181.12244	7.3
189.11203	17.2
191.10655	11.4
205.12262	7.1
207.13676	5.7
209.11719	16.8
223.13322	62.0
229.19589	5.9
232.28922	5.5
237.11206	9.3
239.01117	5.2
257.19043	16.5
275.20053	100.0
293.21054	63.2
311.22229	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	311.221
Annotation	Porrigenic acid
Peak:m/z	Relative Intensity
55.01869	20.1
55.05246	4.6
55.05504	67.7
56.58135	4.0
57.03432	5.2
57.07039	9.4
65.98496	4.0
66.22338	3.5
67.05497	38.6
69.03416	7.4
69.07066	29.8
70.26439	11.7
70.26830	7.0
71.04979	7.7
79.05487	41.0
81.03410	8.5
81.07053	45.2
83.04987	37.3
83.08612	51.9
85.02885	11.7
91.05469	30.6
93.07042	43.4
95.04958	97.6
95.08575	30.2
97.06514	11.9
97.10150	31.2
99.04449	11.2
105.07014	26.4
107.04951	11.2
107.08582	53.0
109.06503	14.3
109.10160	22.6
111.04425	59.4
111.08062	17.9
111.42538	4.2
117.07020	8.9
119.08569	18.6
121.06493	11.2
121.10114	28.0
123.08057	8.6
125.05935	4.5
125.09636	29.8
129.06985	6.5
131.08589	18.8
133.10120	14.3
135.08028	7.8
135.11670	18.4
139.11215	4.5
145.10127	33.0
147.11696	12.7
149.09621	57.7
153.05486	5.0
153.12733	7.1
157.10185	5.5
159.11702	7.9
163.11159	52.7
171.10199	6.5
173.09692	5.9
177.12813	6.8
181.12231	12.8
187.11151	7.9
189.11256	25.5
189.12596	4.7
191.10646	16.6
205.12247	8.3
209.11696	34.4
219.55045	3.8
223.13277	94.1
228.44934	3.9
237.11179	29.7
257.19083	11.5
275.20035	100.0
293.21091	94.1
294.21567	5.4
311.22086	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	311.2212
Annotation	(9Z,12Z,15Z)-(7S,8S)-Dihydroxyoctadeca-9,12,15-trienoic acid
Peak:m/z	Relative Intensity
53.03938	4.7
55.01865	18.3
55.05510	25.9
57.03433	10.1
64.34203	4.3
65.03943	7.4
67.05499	80.6
69.06796	3.9
69.07070	42.7
70.84759	10.3
70.85133	7.0
71.04988	7.3
79.05487	38.6
81.03442	8.3
81.06603	7.7
81.07050	100.0
81.24893	4.0
83.04954	10.6
83.08612	14.3
85.06516	6.5
91.05460	26.5
93.07031	33.1
95.04961	31.9
95.08595	58.7
97.06528	21.7
99.08073	5.2
105.07015	34.9
107.04987	6.7
107.08592	26.9
109.06516	14.0
109.10136	29.0
111.04370	5.6
111.08076	5.8
117.07011	14.8
119.08600	27.3
121.06489	11.6
121.10167	21.9
123.08058	17.8
123.11709	14.8
125.09605	8.1
131.08542	19.1
133.10126	15.9
135.08043	11.3
135.11670	11.2
137.09579	8.5
143.08606	5.7
145.10114	10.9
147.11679	31.1
149.09575	14.0
149.13278	13.3
151.11201	7.1
159.11685	8.3
163.11148	7.3
165.12755	19.8
177.12764	11.6
178.65419	4.9
223.13330	10.3
237.14833	17.3
247.20653	7.6
257.18924	12.9
275.20041	77.6
293.21057	57.1
296.65759	4.6
311.22220	15.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2212
Annotation	Porrigenic acid
Peak:m/z	Relative Intensity
55.01855	14.4
55.05511	37.9
57.03420	10.1
57.07065	35.7
67.05501	63.6
69.07063	27.7
70.34019	24.6
79.05480	50.7
81.03404	5.8
81.07044	53.3
83.04983	27.2
83.08637	25.0
85.06523	6.3
91.05465	25.1
93.07030	46.2
95.04951	40.2
95.08590	33.5
97.06501	13.0
97.10134	16.2
98.20781	5.8
99.04449	5.5
99.08076	7.2
103.53609	4.9
105.06984	27.5
107.04936	9.8
107.07949	6.2
107.08560	39.0
109.06467	10.7
109.10126	16.8
111.04442	38.7
111.08067	15.0
117.06972	8.9
119.08558	28.3
121.06490	6.9
121.10152	30.2
121.54515	5.4
123.11702	8.0
125.05959	11.3
125.09605	22.2
129.06873	5.3
131.08575	16.4
133.10118	20.5
135.08037	9.7
135.11639	12.9
137.09595	6.7
139.11143	9.0
142.54004	5.1
145.10088	13.0
147.08102	5.9
147.11646	13.6
149.02299	7.0
149.09630	31.6
153.05418	17.8
157.10014	5.6
159.11707	11.3
161.09544	6.1
161.13211	6.7
163.11203	27.9
173.13341	5.2
176.20232	4.9
177.12698	6.9
181.12251	12.5
189.11177	16.4
189.12782	5.8
191.10658	18.3
193.04985	11.8
209.11682	100.0
209.13551	8.2
223.13266	39.7
237.11154	81.6
255.12154	15.6
257.18903	13.7
275.20032	64.7
276.20364	5.8
293.17850	8.4
293.20828	46.8
311.05426	7.8
311.16040	5.4
311.24557	13.8
311.74811	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	311.2212
Annotation	Porrigenic acid
Peak:m/z	Relative Intensity
55.05502	35.8
57.03418	5.9
57.07065	29.2
62.85105	4.9
67.05494	19.9
69.07056	23.5
70.31028	9.5
70.31438	17.9
71.08617	14.6
71.65298	4.5
79.05491	14.5
81.07060	25.9
83.04970	8.4
83.08608	17.4
91.05460	6.3
93.07011	17.0
94.44826	4.6
95.04970	8.3
95.08583	18.7
96.06581	6.0
97.10171	18.2
99.08089	7.7
100.31056	4.6
107.08599	16.1
108.55920	5.2
111.04427	15.7
121.06513	12.4
121.10138	12.6
125.05966	8.7
125.09599	6.5
135.04373	6.2
135.11656	9.7
137.05969	6.1
138.11244	6.1
147.11734	6.1
149.09581	6.1
151.11177	5.6
153.05444	18.6
164.09322	5.5
181.12051	4.9
191.10652	5.8
209.11690	89.9
237.11212	70.7
238.41933	5.8
251.10556	10.9
255.12267	16.1
260.75201	5.4
275.20047	9.9
279.09958	6.6
293.21033	100.0
311.05585	7.4
311.12860	9.1
311.25613	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	311.2214
Annotation	(9Z,12Z,15Z)-(7S,8S)-Dihydroxyoctadeca-9,12,15-trienoic acid
Peak:m/z	Relative Intensity
50.03626	1.3
53.03936	2.7
53.56533	1.2
55.01859	4.9
55.05507	61.1
57.03433	24.4
57.07067	33.4
59.04955	1.2
59.40804	1.2
65.48142	1.2
66.29146	1.2
67.05499	16.1
69.07063	65.1
69.54562	10.6
71.04977	6.1
71.08623	17.4
73.06545	1.6
79.05482	7.9
81.07053	22.3
83.04975	4.0
83.08612	61.6
85.06500	1.4
85.10172	8.4
91.05473	2.6
93.07037	12.6
95.04964	1.8
95.08592	16.2
97.06519	8.3
97.10157	42.3
105.07011	4.4
107.08585	11.5
109.06474	1.2
109.10170	6.1
111.04411	2.0
111.08057	4.6
111.11697	11.4
113.05975	7.8
119.08575	3.1
121.10136	10.1
123.08028	7.4
123.11697	2.9
125.05978	2.4
125.09628	3.3
125.13251	3.2
131.08578	2.6
133.10114	3.5
135.04422	2.9
135.08098	1.3
135.11696	8.0
137.13179	1.6
139.07539	11.7
139.11185	2.3
145.10054	2.3
147.11653	3.3
149.09683	1.4
149.13222	4.6
151.14787	1.3
159.11728	1.9
161.09586	2.2
163.11237	2.0
181.12106	1.5
206.21281	1.3
209.11656	6.8
219.21150	1.6
229.19434	2.0
237.11206	5.4
237.22025	1.8
247.20560	13.3
257.19113	1.8
265.21570	3.1
275.20105	9.9
293.21060	41.8
294.21472	2.6
311.25781	100.0
312.25787	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1697
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	4.4
55.01868	1.9
55.05494	1.8
56.05015	1.4
57.03426	1.8
59.04724	1.9
59.04995	29.5
60.04519	1.0
63.01297	1.3
67.03668	1.0
67.05467	2.0
69.03409	3.2
69.07053	2.7
70.06220	1.1
70.06585	13.9
71.04953	1.5
72.08137	6.2
77.06026	1.3
79.05479	4.7
81.03419	1.7
81.07032	3.0
83.04966	3.0
84.04492	3.2
84.08139	5.6
85.02882	3.9
86.09692	1.9
87.04461	38.8
88.03959	1.9
89.06023	56.7
91.05476	11.6
93.07018	3.2
95.01308	2.5
95.04948	10.4
95.08589	2.2
96.50426	0.9
97.06476	1.0
97.07585	1.0
99.04411	1.6
103.03932	100.0
103.07582	9.7
105.03383	76.6
105.04496	2.0
105.07011	4.5
106.03715	1.8
107.04958	2.5
107.07064	3.7
107.08574	3.0
108.08107	1.7
109.02837	2.1
109.10145	0.9
110.07194	1.4
111.04444	1.2
114.10268	2.5
115.05468	1.4
116.07096	3.1
117.05559	1.5
119.07035	1.8
120.08072	2.8
121.02820	1.2
121.06532	1.6
121.08606	22.8
121.10076	1.4
122.03653	1.9
123.04404	2.1
124.07542	1.0
127.90081	1.1
130.05023	1.4
131.04953	2.4
131.07024	20.9
132.08095	12.6
133.02846	1.7
133.06479	4.2
133.08594	37.8
135.04373	2.1
136.07596	2.4
137.04297	1.1
137.05963	13.5
138.06331	1.2
139.86978	1.1
141.01813	3.8
147.04410	1.3
147.06544	6.8
149.05962	2.5
149.10712	1.2
150.09122	11.5
151.07507	1.4
151.09615	1.4
152.14345	4.3
161.02386	1.1
161.05986	2.6
163.09625	4.3
177.05421	1.4
177.11258	1.6
187.07512	3.2
190.07758	1.8
190.12921	1.2
191.08553	4.4
195.02910	2.4
195.07919	1.5
195.12274	1.6
196.16959	2.3
197.08003	1.3
207.12254	17.7
219.08092	6.9
220.08727	1.4
224.11774	1.6
235.11693	4.6
236.08469	2.4
237.09059	1.7
247.07445	2.6
251.10742	9.4
253.12791	6.5
267.17200	1.2
267.20602	1.5
279.10138	7.4
296.10477	2.1
311.02100	2.0
311.05420	13.2
311.09055	1.8
311.12671	5.9
311.15414	4.5
311.19897	2.0
311.22931	6.4
312.05829	1.3
312.14340	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1274
Annotation	7-Hydroxy-3-(4-methoxyphenyl)-4-propyl-2H-1-benzopyran-2-one
Peak:m/z	Relative Intensity
55.01856	0.9
55.25686	0.8
71.20460	1.9
75.17016	0.7
79.05468	2.8
81.07060	1.9
85.43185	0.7
87.45243	1.1
91.05503	4.3
94.04188	5.8
95.04961	1.5
103.05452	1.1
105.04514	1.0
105.07040	5.7
107.04938	1.9
109.06523	6.1
115.05448	2.5
116.06204	1.0
121.06476	1.0
122.03646	9.8
127.05428	0.9
127.20387	0.7
127.53483	0.7
128.06212	2.2
129.06999	4.5
131.04921	2.1
131.08629	1.1
133.06499	4.3
137.05962	100.0
138.06306	2.4
144.05681	3.2
145.06418	1.2
149.05978	5.1
151.07501	1.2
155.04913	8.6
156.05681	1.7
157.06575	0.8
158.63837	0.8
159.08028	7.5
161.05974	12.8
163.03992	0.7
163.07550	0.9
165.06927	4.2
167.07018	1.3
172.05132	3.5
175.07523	3.5
178.07744	1.0
179.08553	1.8
180.09227	0.9
187.07529	29.6
188.07823	1.5
189.06995	7.0
189.08546	1.2
190.07768	21.3
191.08536	52.2
192.08919	2.1
193.06470	0.9
194.07246	1.0
201.06961	1.3
202.07730	2.1
203.08546	2.3
205.06531	3.6
205.10167	0.9
207.07990	6.3
208.08846	7.0
217.06424	1.1
218.07251	14.7
219.08028	74.2
220.08698	9.5
221.05948	3.2
223.11182	1.2
225.09019	1.7
233.09660	1.7
235.07497	8.7
236.08313	15.4
237.09018	2.3
246.06738	2.8
247.07512	29.9
248.08119	4.8
249.09074	1.1
250.09865	1.3
251.10649	91.1
252.10927	5.8
253.08539	7.0
261.09113	3.9
263.07083	2.5
264.07806	10.7
265.08548	3.8
267.10236	1.3
268.10861	1.9
278.09268	1.4
278.84305	0.8
279.10138	73.2
280.10672	7.7
281.08084	11.7
282.08618	1.2
283.09610	0.9
283.13116	1.7
295.09610	1.6
296.07227	1.5
296.10388	13.3
297.10617	1.1
309.11240	1.0
311.12738	76.4
312.13058	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	311.1275
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	1.1
56.77403	0.7
61.17849	0.7
61.91952	0.7
67.05498	1.1
70.31776	3.0
79.05472	3.4
81.07049	4.2
89.03910	0.8
91.05473	5.5
93.07038	0.8
94.04186	4.2
95.04955	1.9
103.05453	2.4
105.07022	6.2
107.04939	2.1
109.06507	5.4
112.46114	0.7
115.05433	2.6
116.06248	1.4
117.07018	0.8
121.06506	2.0
122.03635	11.8
128.06203	2.1
129.06999	6.3
131.04922	2.5
133.06465	5.7
134.03625	0.9
137.05962	100.0
138.06279	2.1
144.05675	3.5
145.06488	2.3
147.08018	0.9
149.05971	6.0
151.03874	1.0
151.07495	1.7
155.04907	9.3
156.05656	1.0
159.08054	12.1
161.05962	15.0
163.07536	0.7
165.07011	5.3
167.07054	1.3
171.04329	0.8
172.05223	2.5
175.07527	4.3
178.07747	1.1
179.08516	2.7
180.09415	1.5
181.06438	1.2
187.07527	27.6
188.08043	0.9
189.06987	7.5
189.09122	1.8
190.07751	28.0
191.08540	58.4
192.08904	2.9
193.06528	1.3
195.08070	1.4
201.06892	0.7
202.07851	2.2
203.08545	1.9
205.06439	4.3
205.10153	1.4
207.08014	8.4
208.08815	7.1
211.07588	0.8
215.08578	1.0
217.06470	1.3
218.07236	19.7
219.08029	73.7
220.08688	8.5
221.05957	2.9
223.11151	1.6
225.09056	2.1
231.08037	1.2
232.22450	0.7
232.70215	0.7
233.09680	2.2
234.06706	1.3
235.07512	10.7
236.08276	15.8
237.08972	2.9
246.06735	1.7
247.07523	28.9
248.08130	3.5
249.05653	1.7
249.09128	1.9
250.09935	1.4
251.10654	86.9
252.10930	3.7
253.08626	6.5
261.09125	3.7
263.07050	3.5
264.07791	8.6
265.08514	4.6
266.05649	0.8
267.10138	1.9
268.07065	0.9
268.10910	2.2
270.08966	0.8
277.08621	0.9
278.09277	0.9
279.10132	68.5
280.10773	8.3
281.08054	9.9
283.09705	1.1
283.13071	1.4
295.09622	1.2
296.10406	11.3
311.09500	2.5
311.12723	69.4
312.13107	3.0
324.93558	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1274
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42064	1.4
50.73510	1.4
55.01851	3.2
57.28529	1.5
70.06569	3.3
70.33736	1.9
77.03944	3.0
79.05470	6.8
80.03540	1.5
81.07028	3.8
83.49166	1.4
84.08159	1.8
89.03906	3.7
91.05463	9.3
91.32806	1.9
93.06992	1.4
94.04153	4.7
95.04941	3.4
95.08580	2.3
97.06463	1.5
98.20641	3.1
100.11256	1.8
103.05440	9.4
105.03361	4.7
105.07022	32.7
105.76749	1.8
107.04920	3.9
109.06510	5.4
115.05436	7.9
117.03337	3.9
117.06985	2.0
121.06461	5.6
122.03605	11.1
128.06210	3.3
129.06955	7.1
129.10158	1.8
131.04889	6.4
133.02843	74.6
133.06468	29.5
135.04404	5.3
137.05969	100.0
138.06253	2.1
144.05641	3.9
147.08054	7.3
149.05977	9.4
150.06715	6.8
151.03859	2.2
155.04858	6.6
155.06009	2.0
156.05646	1.7
159.04366	2.5
159.08055	10.8
161.02368	1.9
161.05963	52.8
163.07553	2.7
165.05440	10.1
165.06882	3.0
172.05208	3.4
175.07523	2.5
177.07083	3.0
179.08354	2.0
181.06445	1.6
187.03833	4.7
187.07520	28.8
189.06952	6.3
190.07779	25.4
191.08543	44.8
194.07216	2.0
202.07820	2.2
205.06497	6.0
207.08009	5.5
208.08755	5.0
218.07263	12.7
219.08044	59.1
220.08719	6.0
221.05095	7.1
221.09624	2.0
222.06799	2.6
223.07520	2.5
223.11075	2.1
229.43817	1.5
233.05872	2.9
233.09599	3.7
235.07549	8.5
236.08342	14.2
237.09016	4.3
247.07506	19.7
248.08087	3.2
249.09009	2.3
250.06293	4.2
250.09749	3.0
251.06982	4.1
251.10663	66.8
252.11069	2.1
253.08488	7.3
261.09021	6.0
262.09903	1.5
263.06937	3.6
264.07712	9.4
265.08548	6.6
268.07141	1.8
268.11057	1.7
278.09515	3.7
279.06854	3.7
279.10123	54.1
280.10800	4.9
281.08154	7.7
281.11002	1.8
283.09549	2.5
283.13312	2.5
293.08005	5.9
293.11407	3.4
294.08740	1.6
296.10339	6.9
311.05392	7.2
311.09091	8.2
311.12695	64.4
312.13058	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	311.1275
Annotation	7-Hydroxy-3-(4-methoxyphenyl)-4-propyl-2H-1-benzopyran-2-one
Peak:m/z	Relative Intensity
55.01865	2.1
55.05485	1.5
55.18458	0.9
67.05481	2.0
69.59316	1.2
69.59720	7.6
70.06565	1.1
77.57619	1.0
79.05452	2.8
81.07029	3.0
84.08121	1.3
91.05453	3.8
93.07031	1.3
94.03627	1.0
94.04168	5.0
95.04936	2.1
95.12444	1.0
98.20697	1.8
105.06999	2.0
107.04916	2.7
109.06494	4.0
110.07204	1.1
117.03351	1.0
121.10133	1.1
122.03616	7.6
123.04389	1.1
126.62359	0.9
131.04974	1.5
133.06429	1.3
137.05963	73.8
138.06308	2.2
144.02583	1.0
144.05650	4.0
145.06459	2.1
147.04393	1.0
149.05934	1.7
159.08052	3.9
161.06007	2.4
165.06989	2.7
167.81505	0.9
168.35614	0.9
172.05194	5.1
173.05956	1.8
175.07507	1.7
178.07764	1.2
180.09303	1.7
181.06532	1.2
187.07535	31.0
188.08330	6.5
188.09673	1.1
189.06941	3.0
190.07767	8.9
191.08533	19.6
201.06894	1.0
202.07774	1.7
203.08522	1.4
205.06474	2.7
207.07976	4.2
208.08830	12.1
209.11787	1.2
211.07484	2.1
218.07271	8.3
219.08028	40.6
220.08846	4.7
221.05884	6.1
221.09537	1.4
222.06714	1.0
223.11157	1.2
225.09131	2.8
227.06870	1.3
233.09619	9.7
235.07585	5.9
236.08276	19.6
237.09029	5.1
238.06352	1.7
246.06680	1.5
247.07533	28.9
248.08260	8.1
249.05507	3.0
249.09038	1.3
250.06076	1.8
250.09688	1.3
251.10664	41.9
252.10928	2.8
253.08548	15.5
261.09039	11.5
262.09735	1.9
263.07004	3.9
264.07816	19.9
265.08551	5.9
268.07446	1.1
268.10834	1.8
270.08759	1.6
279.10138	74.4
280.10651	9.4
281.08051	12.4
282.08618	1.5
283.09570	3.7
283.12994	1.5
293.11557	4.0
295.09750	1.1
296.10397	25.2
297.10727	2.0
311.09543	3.6
311.12723	100.0
312.13208	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	311.1273
Annotation	7-Hydroxy-3-(4-methoxyphenyl)-4-propyl-2H-1-benzopyran-2-one
Peak:m/z	Relative Intensity
55.01874	1.4
60.60818	1.1
63.79474	1.2
71.14639	2.2
79.05475	1.8
81.07032	1.6
91.05461	4.9
94.04143	2.8
95.04980	1.5
103.05447	2.1
105.07031	6.5
107.04973	1.4
109.06471	4.5
115.05471	3.3
116.06117	1.5
121.06471	2.3
122.03642	9.5
128.06209	2.8
129.06982	3.9
131.04910	1.4
133.06461	4.5
137.05966	95.2
138.06308	1.8
143.04948	1.2
144.05667	3.4
144.73627	1.2
149.06033	6.7
151.07527	1.9
155.04906	6.8
155.05962	1.6
159.08037	9.5
161.05994	15.6
165.06970	2.8
165.19962	1.4
168.56613	1.2
172.05188	2.5
175.07545	3.3
179.08516	1.3
187.07545	24.0
189.06995	6.4
189.08698	1.0
190.07770	22.0
191.06786	2.8
191.08539	50.9
192.08971	2.3
202.07770	1.2
203.08600	1.9
205.06458	2.7
207.08054	4.6
208.08853	4.4
216.80351	1.2
218.07219	14.1
219.08034	60.6
220.08707	9.2
221.05846	1.8
222.06683	1.2
231.08104	1.4
233.09691	2.1
235.07495	7.7
236.08342	12.1
237.09001	2.8
247.07529	26.9
248.08221	3.8
249.05412	1.5
251.10654	100.0
252.11110	2.7
253.08580	7.2
261.09149	3.9
263.06989	2.3
264.07861	7.7
265.08441	3.2
268.10941	1.7
279.10138	67.9
280.10745	7.1
281.08066	8.7
283.09909	1.6
283.13144	2.3
296.10474	11.0
311.12741	66.2
312.13025	3.2
312.50610	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1274
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01846	1.3
61.06797	1.1
70.40552	1.7
70.40916	3.7
73.56418	1.1
79.05477	3.3
81.07043	3.4
85.02590	1.0
91.05454	4.2
94.04190	6.1
95.04949	2.5
103.05472	2.9
105.07024	8.2
107.55963	1.1
109.06499	4.4
115.05453	3.4
121.06532	1.4
122.03648	10.6
128.06223	2.7
129.06972	4.1
131.04945	1.4
131.08517	1.6
133.06461	6.7
137.05968	100.0
138.06381	1.1
144.05705	4.6
145.06390	2.3
149.05983	7.2
155.04919	7.6
159.08009	8.5
161.05971	17.4
165.06990	4.0
167.07030	1.8
171.04449	1.7
172.05176	2.5
173.05957	1.2
175.07536	3.2
180.09328	1.1
187.07536	26.7
188.07893	1.3
189.06992	7.1
189.08827	1.0
190.07761	23.6
191.08546	50.3
192.08997	2.6
193.06392	1.7
201.06990	1.5
202.07791	2.0
205.06485	3.2
207.08051	5.9
208.08847	7.5
218.07256	13.0
219.08038	65.3
220.08817	8.2
221.05981	2.4
223.11127	1.4
224.08270	1.0
225.09099	2.4
229.07671	1.3
233.09592	2.9
235.07498	8.5
236.08313	14.1
237.09035	3.2
238.99352	1.1
246.06789	2.4
247.07520	24.5
248.08237	4.3
249.05617	1.3
249.09076	1.3
251.10654	89.9
252.11092	2.6
253.08554	5.6
261.09064	4.4
263.06995	1.4
264.07794	10.3
265.08539	3.3
267.10144	1.7
278.09415	1.2
279.10141	73.8
280.10855	8.0
281.08124	9.5
283.10062	1.6
283.13171	2.6
295.09546	1.3
296.10367	10.7
309.11218	1.4
311.05496	2.4
311.12750	65.6
312.13193	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	311.1272
Annotation	7-Hydroxy-3-(4-methoxyphenyl)-4-propyl-2H-1-benzopyran-2-one
Peak:m/z	Relative Intensity
58.12306	1.1
64.34762	1.3
70.04520	6.9
79.05482	2.7
81.07037	1.8
82.47380	1.2
91.05458	5.4
91.67356	1.3
94.04181	2.9
95.04928	1.5
96.89180	1.2
98.06200	1.3
98.21412	1.6
103.05450	1.6
104.24589	1.3
105.07025	7.9
109.06480	4.2
115.05413	2.5
121.06522	1.9
122.03632	12.5
127.05461	1.3
128.06174	2.2
129.06972	6.1
131.04926	2.3
133.02847	2.4
133.06471	5.0
137.05962	100.0
138.06270	1.8
144.05693	3.1
149.05966	7.1
151.01494	1.4
155.04939	6.3
156.05630	1.7
159.08034	8.6
161.05936	15.6
165.06914	2.7
172.05125	1.8
175.07571	4.7
179.08531	1.4
187.07523	31.5
189.06900	9.2
190.07765	24.8
191.08543	50.1
192.08942	2.4
193.06628	1.8
195.30899	1.6
196.76201	1.3
202.07858	2.1
205.06468	3.1
207.08002	6.8
208.08783	5.7
218.07292	13.7
219.08032	65.4
220.08771	8.8
221.05931	2.6
225.09088	1.7
235.07445	9.2
236.08328	12.4
237.08983	2.8
246.06879	1.6
247.07506	24.5
247.09808	2.2
248.08224	3.0
250.09865	1.8
251.10658	99.3
252.10994	3.9
253.08572	5.9
261.09174	4.0
263.06903	2.0
264.07758	9.9
265.08514	4.3
279.10138	76.8
280.10675	8.0
281.08063	11.3
283.13147	1.9
296.10333	10.6
311.12729	76.6
312.13138	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	311.1241
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52113	2.3
52.39999	2.0
55.01854	2.7
57.02579	2.2
67.05479	3.4
69.00418	2.2
70.05143	11.6
70.06564	10.2
71.05007	2.6
72.08125	2.5
79.05474	4.5
81.03419	7.2
81.07061	4.3
82.23055	2.3
84.08133	7.1
85.02902	3.3
86.09705	4.0
89.03893	2.6
91.05481	20.6
93.07026	8.5
94.04176	3.8
94.06562	2.6
95.04973	5.1
95.08566	2.4
96.04479	2.8
103.05474	8.3
104.03455	31.5
105.03395	3.9
105.07029	17.3
107.04917	3.6
109.06487	6.7
110.07110	2.5
115.05434	7.1
117.06995	2.9
118.06511	12.1
119.04911	7.9
119.08546	2.7
119.84790	2.3
120.08095	34.4
121.06493	4.7
121.08435	2.6
121.09250	2.3
121.10123	4.0
122.03646	12.5
128.06226	4.4
129.06973	5.0
130.06479	2.5
131.04935	3.6
132.08044	4.6
133.02837	29.9
133.06458	10.6
133.08855	11.9
134.05963	6.2
134.09639	4.5
136.07552	29.0
137.05957	100.0
138.06342	2.4
144.05707	4.4
144.08054	28.0
145.06493	3.4
146.06020	6.1
146.09628	15.3
147.04384	2.7
147.08058	2.7
149.05948	8.1
151.03883	4.1
155.04881	6.8
159.08000	11.5
161.05972	28.5
161.09538	4.1
161.10730	45.8
162.05440	11.7
162.09203	4.8
164.07059	3.2
165.05458	3.7
168.06546	5.9
172.05110	3.3
175.07542	5.6
179.08498	2.7
187.07510	26.3
189.06989	7.3
190.07764	19.2
190.08586	8.8
191.08542	49.4
202.07823	2.3
203.11786	10.0
204.06560	5.3
205.06538	3.2
206.01332	2.5
206.08170	11.1
207.08102	5.5
207.11295	27.7
208.06049	2.9
208.09497	3.8
218.07285	11.1
219.08025	73.9
220.08714	8.8
221.06122	3.2
221.09351	2.3
222.07513	15.5
225.09093	2.2
231.11307	3.0
233.09616	3.0
235.07454	7.8
236.08224	14.3
236.57063	2.1
237.08997	3.0
247.07513	32.2
248.08301	4.3
249.05423	3.6
249.08905	2.0
249.09814	1.9
249.12190	13.4
251.10655	81.7
252.11002	5.2
253.08583	8.2
261.09064	4.9
264.07834	8.0
265.08563	3.3
279.10129	68.4
280.10666	8.5
281.08008	10.1
295.63684	2.4
296.10361	9.8
311.09320	3.8
311.12665	62.8
311.18198	2.7
312.13113	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	311.0758
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02366	0.8
53.03938	5.2
55.01852	1.0
56.05009	0.4
67.05488	0.5
69.03423	0.4
69.07054	0.3
70.06590	2.7
71.04962	0.4
71.31390	0.6
71.31732	0.6
72.08150	1.5
73.02901	0.4
74.02433	0.4
77.03906	1.1
79.05473	1.1
81.03400	1.2
81.07003	0.3
83.01321	1.1
84.04475	0.6
84.08134	4.9
85.02882	1.1
86.09694	1.5
87.04457	0.4
91.05467	13.3
91.06041	0.7
95.01300	0.4
95.04955	10.5
98.23624	0.3
99.04440	0.4
101.02377	0.4
102.05482	0.3
105.03378	100.0
105.04518	2.7
106.03703	1.3
107.05000	0.5
107.08570	0.4
109.02853	0.5
110.07130	0.9
111.00775	0.5
113.02364	0.6
115.03897	0.7
118.05226	0.4
120.08117	1.1
123.04419	1.5
129.01784	0.4
129.10214	1.3
130.08607	1.0
133.02856	0.3
136.07542	0.4
137.05956	3.4
143.78571	0.3
147.04402	0.6
159.07997	0.3
161.05972	1.1
187.07555	1.0
190.07814	0.6
191.08511	1.5
205.06497	0.4
207.07996	0.4
209.11893	0.3
218.07309	0.6
219.08012	2.5
230.06198	0.7
236.08289	0.6
247.07539	0.9
251.10587	2.4
265.07111	0.4
266.14130	0.3
279.10123	1.9
286.32898	0.3
311.09344	0.5
311.12704	2.9
311.15848	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	310.201
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	1.8
55.05510	6.0
55.05729	1.0
56.05030	1.5
57.03416	1.3
57.07063	1.3
66.78249	1.0
67.05500	14.8
68.05022	82.4
69.03394	2.6
69.05357	1.1
69.07069	6.4
69.64661	9.1
70.05549	1.0
70.06585	32.3
71.04981	1.9
72.08140	3.6
73.90263	1.0
79.05487	19.8
80.05824	1.4
81.03411	1.4
81.07046	13.7
82.06542	1.2
83.04965	1.6
83.08611	3.9
84.08128	2.4
86.06058	18.2
91.05466	12.2
93.07032	13.1
94.07388	1.1
95.04948	2.9
95.08592	17.8
97.06541	1.7
97.10178	1.9
98.09687	1.6
98.20645	2.1
100.07584	9.8
103.05509	1.5
105.07013	8.3
107.04964	1.4
107.08586	28.0
108.08099	3.9
108.08870	1.9
109.06504	3.3
109.10130	8.6
110.09659	1.9
110.10439	1.5
111.08122	1.2
112.07622	1.5
112.11217	2.6
114.05519	16.8
116.07084	3.3
117.06993	2.0
119.08562	3.5
120.08046	1.3
121.06452	1.5
121.10145	5.3
121.10878	1.0
122.09653	3.6
123.08045	2.8
123.11671	1.4
124.11222	1.3
128.07054	9.7
131.08583	2.0
132.06557	14.3
132.08078	1.2
133.10109	4.5
134.09599	2.8
135.04283	1.3
135.11668	2.3
136.11206	1.7
137.05974	8.4
145.10158	1.6
146.09618	12.7
146.10654	1.3
147.11664	1.9
148.11194	4.3
149.09584	2.5
149.13248	24.6
150.12762	4.5
151.14796	5.5
152.14352	2.1
154.08597	2.5
159.11707	1.6
160.06041	16.9
161.05899	1.1
161.13248	4.6
162.12758	1.3
166.15982	1.6
174.12711	1.4
176.14343	4.2
179.14265	6.0
182.15332	1.3
187.07552	1.4
190.15897	3.3
191.08575	3.6
192.10164	17.3
193.10936	3.8
206.11755	2.4
207.08026	1.5
207.12497	2.0
218.07188	1.3
218.19028	4.9
219.07993	3.7
222.14937	3.1
226.10886	1.9
235.07320	1.1
235.15628	1.4
236.16583	1.5
250.09291	1.3
251.10768	3.3
264.19562	100.0
265.19989	2.9
266.18631	1.9
266.21185	21.5
274.18735	1.5
276.25183	1.0
278.08926	2.6
279.10275	5.1
281.08087	1.4
283.05722	1.4
292.16281	1.5
292.19727	2.5
292.22873	1.4
310.11615	2.9
310.17029	3.2
310.20099	47.3
310.23703	17.7
311.05392	3.5
311.09183	1.6
311.12781	4.7
311.20032	1.6
329.77298	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	310.1546
Annotation	Diacetylaminoazotoluene
Peak:m/z	Relative Intensity
51.87842	0.1
53.03931	0.3
55.01862	0.2
55.05486	0.3
55.77528	0.2
67.05491	0.3
69.07051	0.5
69.97016	1.1
70.06566	0.4
75.39900	0.2
79.05472	0.8
79.93577	0.2
80.04988	0.2
81.07047	1.8
82.07365	0.3
83.08600	0.2
91.05489	1.1
91.19090	0.2
93.05782	0.3
93.07017	0.3
95.08599	0.2
98.09697	0.2
105.03385	0.3
105.07037	0.3
108.08081	0.2
109.10165	0.2
109.80002	0.2
113.85593	0.2
115.05424	0.8
117.05723	0.2
118.06524	0.5
119.08529	0.2
130.05029	0.2
130.06514	5.0
140.04950	2.0
141.04500	0.2
142.06482	0.5
143.07291	0.2
144.06860	0.4
144.08072	0.7
155.06007	0.7
155.07205	0.3
156.06834	5.4
156.08052	0.8
157.07602	7.0
158.06047	1.1
158.08336	0.8
159.09175	0.2
160.11223	0.2
167.07291	0.3
168.04381	0.3
168.05658	0.2
168.06778	0.3
168.08092	1.0
169.06322	1.2
169.07596	6.1
170.07069	0.3
170.08342	0.3
170.09639	0.4
171.09145	0.3
172.11224	0.2
179.06128	0.2
181.07574	0.4
182.08380	2.2
182.09782	0.3
183.09117	1.1
184.06366	1.0
184.09846	0.3
184.11206	1.6
185.07071	2.0
185.10733	0.8
186.05473	0.4
194.07120	2.3
194.09621	0.7
195.07654	0.4
195.09264	1.0
196.08633	1.8
197.07083	0.5
197.10709	0.3
198.12695	0.3
202.07368	5.5
203.08194	1.0
211.12276	8.1
212.12752	0.4
213.06525	0.4
213.10181	0.2
213.13799	0.6
215.08101	0.8
222.10155	1.1
223.08777	1.0
223.12244	0.3
228.08875	1.0
235.11049	0.4
237.13843	2.6
238.13345	1.2
239.11726	0.5
239.15701	0.8
240.07658	1.1
255.14919	0.5
257.12833	8.1
257.15558	0.4
258.12967	0.2
264.14911	2.7
265.13293	0.3
265.15887	0.3
281.46133	0.2
282.16013	0.6
283.14316	1.1
292.14438	0.6
292.19666	0.4
310.15460	100.0
311.15799	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	310.1492
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	4.1
55.05505	2.1
56.56309	2.0
57.03428	4.2
57.07063	9.2
60.04498	2.8
61.02909	6.2
67.05497	14.4
68.42033	2.3
69.03407	9.9
69.07049	2.5
69.78573	14.2
70.06571	13.2
71.04977	5.7
73.02903	2.6
76.02193	4.3
78.01811	13.5
78.02174	2.4
81.03397	6.7
83.05657	2.3
84.04488	9.7
84.08133	13.7
85.02898	44.9
85.06528	5.1
86.09703	3.1
87.04414	2.4
91.03937	5.3
91.05484	2.4
95.04961	22.8
97.02872	14.0
98.21463	3.5
99.04395	2.4
99.09213	2.5
105.03389	7.8
109.02836	3.8
110.07160	2.2
113.05991	42.7
118.01234	2.6
118.32191	2.2
119.04914	3.8
120.08130	5.4
127.03890	10.9
129.10214	3.6
130.05013	3.4
131.07028	100.0
136.07567	5.5
145.04913	16.6
147.04407	6.5
148.04602	2.1
157.04939	3.0
163.03905	5.4
163.05956	3.7
164.01770	4.8
167.15422	4.8
181.04407	6.6
184.04941	2.6
237.02802	3.2
282.18094	10.3
310.16977	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	310.0917
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.9
56.05024	1.2
60.04534	0.5
67.05498	1.0
67.96661	0.6
69.03416	0.9
70.06588	4.0
71.73910	1.3
72.08149	3.5
79.05461	1.8
81.03399	0.7
81.07037	0.7
84.04486	4.0
84.08115	3.8
85.02881	2.0
86.09675	1.6
87.04457	0.6
89.03901	6.6
91.05462	1.9
93.07049	0.7
95.04942	2.4
95.08601	0.7
101.60026	0.5
102.05524	1.1
105.03378	15.1
105.04453	0.8
105.07052	0.8
107.04945	2.6
107.08573	0.9
109.02887	0.6
109.10081	0.6
117.03369	9.9
119.08543	0.8
120.08096	0.8
129.10191	1.5
130.04984	4.9
135.04398	21.2
137.05957	0.7
145.02821	12.6
145.06441	0.5
145.63472	0.5
147.04404	1.3
148.04749	1.7
148.06042	3.4
151.81845	0.6
156.07733	0.5
163.03879	100.0
164.04250	1.7
176.06973	0.6
177.05405	0.7
186.05363	0.7
192.56371	0.6
274.07697	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	310.1468
Annotation	SB 218655
Peak:m/z	Relative Intensity
53.03920	1.1
55.01881	1.0
55.05496	7.6
56.05021	1.0
58.99583	4.2
59.53888	0.8
62.16703	0.9
62.35791	0.8
67.05480	1.9
68.05042	0.8
69.03423	2.3
69.07053	3.0
70.02960	5.0
70.06587	8.5
71.06881	0.8
71.73668	1.1
72.08137	4.9
73.01125	1.1
76.02204	1.1
76.84407	0.8
78.01804	1.5
79.05482	3.1
81.03381	2.4
81.07037	3.7
82.03739	1.0
83.04966	8.9
84.04490	2.4
84.08148	5.0
85.01077	1.1
85.02904	2.1
86.09695	1.7
87.78114	0.9
88.03983	40.7
89.03900	1.0
91.05470	6.6
93.05738	0.9
93.07024	3.3
95.04958	1.5
95.08585	2.3
97.01091	1.3
103.05453	2.0
105.03328	1.1
105.07019	23.2
107.04926	1.6
107.08582	10.6
108.08089	3.3
109.02882	1.1
109.06480	2.0
109.10146	1.5
111.02663	4.1
112.08640	0.9
114.10258	5.1
116.07101	1.1
117.07008	3.1
119.08580	13.3
120.01154	1.6
120.08071	1.7
121.10091	4.7
122.09620	2.3
123.08056	1.6
125.04193	6.7
129.06956	1.0
130.04999	1.5
130.08585	0.8
131.08562	2.4
133.06490	4.0
133.10127	7.7
135.04401	1.6
135.11591	0.8
135.69789	0.8
136.06151	1.3
136.07555	1.2
137.04189	27.5
137.05859	1.8
137.09584	2.1
139.04712	1.5
139.05756	20.9
140.05226	2.1
141.07341	1.4
144.09320	1.1
145.10127	4.9
146.02605	1.0
147.04385	1.6
147.08005	2.1
147.11673	16.8
148.04745	2.0
148.07573	1.7
149.04187	1.2
150.09128	1.1
151.05750	2.2
152.14328	1.9
155.05275	0.8
159.07996	1.3
159.11707	9.8
160.12440	1.0
161.09608	4.1
161.13251	10.9
163.03879	3.3
163.05786	3.7
165.03706	1.3
165.07416	1.8
165.08971	0.9
166.06915	4.6
167.05280	3.4
171.11728	2.1
173.09596	1.8
173.13243	1.2
174.10414	1.1
175.11035	1.1
177.06618	1.1
179.08896	5.1
180.08371	1.8
181.10451	10.3
184.89291	0.8
187.11168	6.2
188.11928	1.9
189.12729	24.1
190.12144	1.0
191.08728	0.9
191.14288	6.5
193.10474	3.9
196.27621	0.9
205.10487	1.7
205.14606	2.8
206.15422	1.6
209.06360	2.0
212.07397	10.1
212.19447	1.2
219.08116	1.1
221.09961	15.6
223.11488	35.3
226.08990	6.3
233.20882	0.9
236.07182	0.9
238.08862	0.9
247.11360	1.0
251.10895	3.4
252.10590	4.6
254.08444	1.1
264.14380	1.8
266.24103	1.7
279.10196	1.4
292.13675	1.7
293.12018	4.0
310.14682	100.0
311.05551	2.4
311.09311	0.9
311.15198	2.6
311.23264	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	310.0918
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03422	0.9
69.07066	1.1
70.06566	2.3
70.87254	2.4
72.08135	1.4
79.05469	2.3
81.03403	0.8
84.04510	4.1
84.08126	5.8
85.02888	2.9
86.09692	1.5
89.03909	7.0
91.05457	1.8
95.04947	1.6
95.17666	0.7
97.02841	0.9
101.53058	0.7
102.05489	0.9
103.47791	0.7
105.03385	3.9
105.06975	1.0
107.04926	3.5
109.10119	0.8
117.03356	10.1
119.04910	1.1
130.04974	4.0
133.10286	0.8
135.04404	22.4
136.06192	1.3
136.07492	0.8
137.05919	1.0
145.02835	15.0
147.04436	1.0
148.04854	1.2
148.05934	3.6
160.11183	1.1
163.03886	100.0
164.04251	1.9
178.05867	1.1
183.07976	0.7
236.12634	0.8
245.36491	0.8
266.14081	0.8
279.53394	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2784
Annotation	ETHYL LINOLEATE
Peak:m/z	Relative Intensity
55.05505	61.3
57.07067	22.9
67.05496	68.9
69.07058	91.6
69.63406	12.6
69.63847	16.0
69.64312	3.1
71.04978	4.7
71.08611	11.2
79.05502	24.7
81.07047	100.0
83.04961	8.0
83.08611	67.9
85.06544	4.8
88.31623	3.2
91.05474	30.1
93.07027	33.1
95.04984	3.2
95.08001	5.9
95.08597	88.7
97.06534	16.0
97.10159	40.1
99.08109	4.2
105.07018	32.2
107.08596	27.4
109.06486	6.0
109.10145	47.1
111.08049	9.8
111.11689	13.2
113.09611	3.2
119.08569	24.8
121.10133	33.3
123.11671	24.9
125.09628	6.9
125.13217	3.8
133.10109	35.7
135.11668	17.6
137.09586	6.5
137.13226	8.0
143.10670	3.4
147.11664	16.3
148.08650	3.7
149.13246	18.5
151.11147	7.3
151.14752	5.9
153.12769	3.6
161.13248	15.6
163.14812	17.2
165.12764	6.6
165.16325	4.8
167.14343	6.3
175.14799	11.8
177.16324	4.5
179.17955	7.0
189.16345	6.3
207.17432	3.7
219.21040	4.7
221.22655	3.5
245.22643	52.6
263.23663	50.4
298.58450	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2644
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45152	0.2
53.94073	0.2
55.02991	1.3
55.05511	1.3
56.05038	0.5
57.03432	0.4
58.99583	0.6
60.05638	0.7
61.44178	0.2
61.59830	0.2
65.55541	0.2
67.05493	0.7
68.05033	0.5
69.03415	0.2
69.07050	0.5
70.06583	30.6
71.04993	0.8
71.06912	0.4
71.72086	0.2
72.05643	0.8
72.08145	27.7
73.08506	0.3
75.04502	0.4
76.02213	1.9
77.02562	0.3
78.01785	0.3
79.05482	0.6
80.04998	0.3
81.03400	0.4
81.07047	0.7
82.06584	0.4
83.04992	0.5
83.08624	0.2
84.04514	1.5
84.08126	1.9
85.02895	1.8
85.04860	0.2
86.07197	0.3
86.09698	0.6
88.03992	0.4
91.05475	0.6
92.90672	0.2
93.07047	0.7
94.05894	0.2
94.06576	0.2
95.04965	0.3
95.06091	0.3
95.08603	0.9
97.06624	0.4
97.07639	14.5
98.07933	0.3
98.09679	3.2
105.07017	0.8
107.04967	0.4
107.08591	0.7
108.08096	1.0
109.06585	0.2
109.10184	0.3
110.09668	1.4
111.08086	0.4
112.08712	15.3
114.10275	100.0
114.71674	0.2
115.10590	1.3
116.01673	0.5
116.07051	0.2
117.07017	0.3
119.04938	0.5
119.08588	0.5
120.08085	0.8
121.10114	0.3
122.09631	0.4
123.10468	0.6
126.09141	0.3
129.05487	0.4
129.10265	0.4
130.04996	0.4
131.12897	0.8
133.10149	0.6
134.09618	1.1
135.08025	0.4
135.11652	0.3
137.04201	0.4
137.13190	0.3
139.05762	0.4
140.11874	0.4
147.04382	1.7
147.11710	0.4
152.14325	12.2
153.14713	0.3
154.15869	0.3
157.14458	0.4
160.11223	0.2
161.13260	0.6
162.02202	0.6
162.12764	0.4
163.02455	0.2
163.13411	0.4
164.01768	0.2
168.17403	0.3
174.43726	0.2
178.15869	0.2
179.04811	0.5
180.05133	0.7
180.17471	0.4
189.12744	0.3
194.16467	0.3
198.18507	3.0
206.19041	2.1
211.19150	8.7
223.11513	0.6
231.13588	0.2
232.20587	2.8
249.23212	0.7
250.21609	3.0
265.23853	17.8
266.24118	0.9
274.22684	0.7
277.08667	0.3
291.25418	3.5
303.90405	0.2
309.07498	0.5
309.18210	0.6
309.26416	5.5
310.04691	1.0
310.07596	0.2
310.14722	1.3
310.26669	0.4
310.99084	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2421
Annotation	Methyl (10E,12Z,15Z)-9-hydroxyoctadeca-10,12,15-trienoate
Peak:m/z	Relative Intensity
52.71337	2.7
55.01864	7.4
55.05508	29.5
57.03415	3.6
57.07067	35.3
65.03930	3.5
67.05497	37.4
69.07068	16.7
71.04995	3.6
71.08639	2.4
71.48761	5.0
79.05491	26.4
80.41965	3.2
81.03426	16.1
81.07045	41.9
83.04978	15.5
83.08614	11.1
85.10176	70.7
91.05473	25.5
91.51553	2.4
93.07045	28.4
95.04956	20.1
95.08598	30.2
97.06519	8.0
97.10159	9.5
99.08106	3.2
105.07014	23.9
107.04951	21.3
107.08591	21.0
109.06499	6.3
109.10153	14.6
111.08113	2.6
113.09631	100.0
117.06992	3.7
119.08566	16.8
121.06490	4.6
121.10140	13.8
123.08035	8.5
123.11710	3.3
125.09588	8.4
127.11195	3.0
129.06984	3.9
130.63933	2.5
131.08572	10.8
132.72414	2.6
133.10097	8.6
135.08047	3.5
135.11659	2.8
137.09662	3.3
137.13249	3.4
145.10146	3.8
145.71123	2.6
147.11664	15.7
149.09595	26.9
149.13200	5.0
151.11240	6.8
155.10698	4.3
157.10152	2.7
161.09619	3.3
161.13252	3.5
163.03941	2.8
163.11163	11.3
165.12737	71.3
167.14256	3.3
171.11630	4.3
175.11182	3.7
179.14294	7.8
181.12334	4.3
193.12186	3.5
206.57191	2.8
231.21199	3.8
236.29843	2.4
250.75809	2.8
259.20477	8.5
263.20193	3.9
273.18442	3.4
277.21588	46.6
291.19519	15.7
309.24518	13.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2421
Annotation	Methyl (10E,12Z,15Z)-9-hydroxyoctadeca-10,12,15-trienoate
Peak:m/z	Relative Intensity
55.05486	45.6
56.24575	12.8
67.05501	81.3
69.07053	46.5
70.42053	13.3
70.83533	13.4
71.08613	48.7
71.15055	26.8
79.05475	57.4
81.03388	19.9
81.07053	84.8
83.04955	16.5
83.08603	18.2
91.05469	41.3
93.07035	96.1
95.04963	13.4
95.08582	77.8
97.06509	19.3
97.10150	23.2
99.08091	69.3
105.07018	28.5
107.08564	31.3
109.06523	18.6
109.10133	36.1
119.08593	28.4
119.31397	10.9
121.10113	40.1
131.08530	12.3
133.10049	19.6
135.11653	56.8
135.57690	13.6
137.09601	23.4
139.11166	24.2
149.13243	18.2
151.11137	35.8
163.11189	15.1
179.14284	100.0
277.21646	67.1
309.24402	19.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.242
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.1
55.01865	39.0
55.05502	24.8
56.05844	1.3
57.03430	1.7
57.07069	10.3
65.03924	1.8
67.05495	28.4
69.03400	1.6
69.07059	16.9
70.07389	1.6
71.01258	2.7
71.01617	1.2
71.04952	2.5
71.08628	2.0
73.90607	1.0
77.22550	1.0
79.05481	15.8
81.03387	2.4
81.07044	27.5
83.04958	11.4
83.08609	13.3
85.06525	1.9
85.10174	11.9
91.05469	16.3
91.65189	1.1
93.07034	17.7
95.04942	7.3
95.08588	22.7
97.06518	14.1
97.10140	3.4
98.06036	8.8
99.06356	2.6
99.08085	3.7
105.07015	13.3
106.07330	1.2
107.04958	3.4
107.08575	11.4
109.06485	4.2
109.10155	8.7
110.10441	1.1
111.08064	38.3
112.07575	1.6
113.09633	16.5
117.07018	1.9
119.08546	8.8
121.10137	9.8
123.08035	3.8
123.11700	3.3
125.09656	2.8
129.06964	1.4
131.08546	2.9
133.10109	13.8
135.11664	6.0
137.09586	2.4
139.11180	4.4
143.08577	1.7
145.10117	2.1
147.11673	9.7
149.09590	6.5
149.13217	5.1
151.11194	6.5
153.09116	1.3
153.12723	4.6
157.10146	1.7
159.11722	1.4
161.13281	5.1
163.11183	3.4
163.14836	2.4
163.70908	1.0
165.12738	16.8
171.11670	2.2
175.11240	2.6
175.14748	2.3
179.14255	6.0
189.12691	1.9
192.05023	1.1
193.12206	1.8
207.13832	1.9
210.20952	1.3
231.20992	2.8
235.16867	1.5
241.19580	1.7
249.22156	6.0
259.20590	6.0
277.21588	71.8
278.21930	1.4
291.19339	1.5
295.22684	5.9
309.24536	10.2
309.29773	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	309.2419
Annotation	Methyl (10E,12Z,15Z)-9-hydroxyoctadeca-10,12,15-trienoate
Peak:m/z	Relative Intensity
53.03936	3.3
55.01857	3.9
55.05507	39.5
57.07055	5.8
59.04982	7.1
65.03915	3.0
66.45184	1.4
67.05498	59.6
69.07061	31.3
69.62210	3.7
69.62617	13.5
71.04989	10.5
71.08610	7.7
73.06534	3.1
79.05486	55.8
79.63102	1.5
81.03436	2.3
81.07048	63.8
83.04963	6.8
83.08604	26.4
83.45781	1.5
84.63828	1.6
85.06519	4.6
85.10160	2.5
87.08117	2.4
91.05472	30.5
93.07034	76.5
95.04964	10.9
95.08598	47.5
97.06521	49.8
97.10161	5.8
98.21426	3.4
99.08091	9.9
101.09638	2.9
105.07021	26.0
107.04945	2.1
107.07911	2.6
107.08579	32.2
109.06501	7.5
109.10140	18.2
111.02646	3.9
111.08078	18.3
115.11188	5.5
117.07004	5.8
119.08578	20.0
120.84771	1.7
121.06517	1.9
121.10140	16.8
123.08070	12.4
123.11703	7.2
125.09584	3.6
129.06964	2.4
131.08548	6.1
133.10126	16.3
135.11678	17.6
137.04182	1.9
137.09622	4.0
137.13237	4.2
139.11153	7.0
141.12686	2.6
143.08543	4.1
145.10114	5.8
147.11682	13.8
149.09610	2.8
149.13303	8.1
151.11203	4.8
153.12723	7.1
159.11700	3.5
161.13219	10.8
163.11191	3.7
163.14778	5.3
165.12750	6.7
167.14285	21.2
169.12308	2.8
171.11647	3.6
173.13222	2.9
175.14806	5.1
179.08856	2.1
179.14302	7.2
185.13246	3.8
189.12749	2.5
189.16167	2.1
207.13797	2.5
221.15289	3.0
231.21071	4.7
239.16284	2.8
241.19594	4.4
249.22150	7.2
253.17865	4.5
259.20621	4.6
275.20059	1.7
277.21576	43.8
279.23242	3.9
291.23096	3.8
295.22903	1.9
309.18707	7.0
309.24210	100.0
309.29419	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	309.242
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	3.6
55.01867	53.7
55.05508	33.5
56.32083	4.3
57.03423	5.3
57.07061	13.0
57.44250	3.4
59.22120	4.1
66.53058	3.4
67.05501	36.0
69.07069	27.6
71.08610	7.2
73.20694	3.5
79.05499	31.0
81.03416	14.2
81.07048	60.6
81.07491	6.8
83.04984	19.7
83.08619	25.8
85.06505	4.0
85.10182	11.1
91.05492	22.1
93.07041	40.4
95.04961	14.0
95.08594	40.4
97.06539	22.8
97.10151	9.7
99.08095	5.9
105.07026	19.1
107.04933	5.0
107.08569	24.0
109.06539	9.4
109.10150	17.7
111.04443	4.9
111.08059	43.3
113.09636	15.3
119.08588	14.5
121.10132	14.4
123.08049	9.5
123.11696	4.4
125.09599	4.1
129.07004	6.2
133.10110	20.0
135.08009	5.6
135.11681	15.6
139.11192	5.5
145.10097	6.1
147.11688	13.8
149.09612	7.1
149.13232	7.0
151.11217	14.7
153.12833	5.2
160.92320	3.8
161.13242	8.5
163.11145	6.5
165.12775	20.8
173.85297	3.8
179.14354	7.7
210.41588	3.9
229.52972	5.9
231.21057	8.1
242.35399	3.9
242.94571	4.1
249.22179	10.5
259.20563	5.3
271.32449	3.4
277.21616	100.0
278.21945	5.5
278.79865	3.9
291.19717	8.2
295.22891	6.1
309.24286	15.8
309.27628	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	309.2053
Annotation	Soraphen O
Peak:m/z	Relative Intensity
55.01857	8.1
55.05489	9.1
57.03164	3.0
57.03431	38.5
67.05503	26.2
69.07046	9.9
70.07452	9.2
70.07872	4.4
71.04966	2.8
79.05471	18.7
81.07044	21.5
83.08581	4.9
84.73079	2.1
85.06532	33.9
91.05484	14.2
93.07064	14.9
94.04168	2.3
95.04414	4.4
95.04962	43.5
95.08584	10.2
95.12647	2.0
97.06516	4.0
97.10186	3.2
105.07001	10.3
107.04969	3.0
107.08591	12.8
109.06499	47.0
109.10130	4.5
111.04454	3.0
113.05993	100.0
117.06969	8.6
119.08572	6.6
121.10140	3.0
123.03917	4.4
123.08021	3.4
124.04075	3.8
131.08560	9.8
133.10094	5.2
135.07188	3.2
135.08057	36.6
135.11653	5.0
137.05972	46.2
137.09460	2.5
138.05304	4.7
138.06303	71.5
139.06477	67.1
140.06726	34.8
143.08522	6.6
145.10060	6.0
147.08057	4.8
149.09586	3.0
157.10161	3.6
161.09595	5.4
163.11124	4.0
180.27768	2.7
181.78801	2.4
199.14851	3.5
217.15874	10.4
273.18439	20.9
291.19522	57.2
309.20856	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	309.2057
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
52.94611	2.0
53.03923	6.9
53.97823	1.7
54.02419	1.8
55.01859	13.4
55.05244	3.8
55.05505	65.3
57.03425	5.1
59.04977	3.1
63.34489	2.2
67.05142	2.7
67.05495	48.7
69.03427	14.0
69.07051	22.7
71.04976	4.2
71.38061	5.5
79.05487	38.5
81.03400	12.6
81.07049	74.8
83.04978	12.2
83.08608	37.5
85.02890	3.1
85.06557	2.2
91.05471	18.7
91.64619	2.0
93.07032	44.0
95.04395	3.2
95.04959	34.0
95.08598	46.7
95.97211	2.1
97.06499	7.7
97.09584	4.1
97.10160	52.9
99.08086	2.7
105.07005	24.9
105.56541	2.0
107.04961	5.6
107.08582	26.3
109.06553	4.4
109.10139	12.7
111.04417	9.3
111.08060	8.8
113.05871	2.1
115.05444	2.3
117.06992	8.9
119.08571	18.8
121.06483	4.9
121.10147	13.0
122.12493	2.0
123.08059	100.0
123.11697	14.8
125.09622	41.3
129.06970	4.7
131.08562	12.1
133.06496	3.6
133.10103	9.4
135.08002	7.1
135.11691	5.0
137.09601	12.1
139.11188	2.7
143.08574	5.2
145.10101	9.2
147.08020	7.7
147.11639	5.1
149.09592	5.8
153.09058	4.0
153.12723	3.1
159.11661	4.3
161.09634	4.0
163.11168	16.4
165.09079	14.4
166.60324	1.9
169.10109	3.7
169.12199	9.3
171.10173	2.2
171.11665	4.0
175.11174	6.8
177.12653	2.1
181.12224	5.6
187.13232	9.3
189.11194	35.8
191.10666	3.6
193.12207	10.9
211.13223	5.9
223.13255	7.7
227.17950	3.7
245.19064	3.6
255.17444	6.6
263.20047	2.6
273.18454	38.4
278.77280	2.3
291.19495	66.0
291.22763	3.6
292.19891	4.4
309.17221	3.3
309.20584	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	309.2055
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
53.03944	3.5
54.73853	2.5
55.01860	19.6
55.05503	31.6
57.03429	5.0
57.07065	4.7
65.03947	3.6
67.05494	74.7
67.15611	2.9
69.03398	5.8
69.07053	30.9
70.80872	6.2
70.81227	4.0
71.04983	9.9
79.05482	45.1
81.03416	8.7
81.07043	89.0
83.01318	5.0
83.04967	15.7
83.08604	10.2
85.06516	9.0
91.05468	54.3
93.07031	51.9
95.04954	17.8
95.08595	39.3
97.06522	9.2
97.10157	3.4
99.04446	3.1
99.08015	3.1
101.06013	3.0
105.07014	53.1
105.07708	4.0
107.04955	12.5
107.08581	55.6
109.06505	13.1
109.10146	87.4
111.04440	5.6
111.08054	11.8
113.05991	7.1
117.07022	7.8
119.08557	17.7
121.06477	11.2
121.10132	9.8
123.08092	8.0
123.11702	8.2
125.09574	6.3
127.07560	4.7
129.06964	5.8
131.08556	14.9
133.06488	7.8
133.10112	100.0
134.10498	3.3
135.08072	6.8
135.11662	8.8
137.05940	3.1
137.09589	8.5
139.07515	7.3
143.08540	10.5
145.10114	11.6
147.08026	13.3
147.11639	6.7
149.09587	5.7
151.11168	66.1
157.10178	3.3
159.11644	4.9
161.09604	15.1
161.13249	4.9
163.11198	5.3
165.09113	3.9
167.10648	3.3
169.12225	10.0
171.11685	6.2
173.09537	3.3
175.11215	7.3
179.10706	5.7
179.14276	4.1
181.08577	3.5
189.12737	4.9
203.14246	3.1
207.13663	3.0
215.12659	5.0
245.18967	17.3
255.17503	4.7
263.20065	14.9
273.18472	39.0
274.18658	3.2
291.19525	71.6
309.20590	25.9
309.23962	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	309.2056
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
55.01871	8.8
55.05505	33.8
55.88905	3.7
56.96555	12.0
57.07072	4.6
59.01213	4.1
59.04976	4.3
67.05505	33.6
69.07065	26.2
70.04070	11.2
71.74750	6.5
71.75149	4.6
76.87908	4.2
79.05483	34.0
80.77522	3.9
81.03407	6.7
81.07053	43.9
83.04978	14.9
83.08612	18.3
91.05474	21.8
93.07034	27.7
95.04940	8.9
95.08590	19.5
97.02900	6.1
97.06570	4.4
97.10167	19.2
105.07016	23.0
107.04963	9.0
107.07915	4.8
107.08557	22.3
108.18227	4.2
109.06496	9.0
109.10155	20.7
110.07037	3.9
111.04415	6.7
111.08056	7.4
117.07030	11.1
119.08577	10.2
123.04455	8.1
123.08006	20.2
125.09630	11.5
129.07005	6.7
131.08560	10.0
133.10149	25.0
135.08133	6.8
137.09619	7.4
145.10165	5.3
147.11681	4.8
151.11169	11.9
165.09117	22.5
171.10126	5.6
175.11145	8.6
185.13281	4.6
187.11281	5.2
189.04327	13.2
189.11212	12.4
193.12265	7.9
249.14647	6.5
252.35802	4.8
263.19971	4.8
273.18430	20.0
291.19537	100.0
309.20636	15.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2057
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
50.72823	1.0
55.01870	5.0
55.05508	27.7
57.03423	2.4
57.07071	1.4
59.04990	1.2
65.94379	1.1
67.05502	11.9
69.03414	3.8
69.07062	12.7
70.04065	1.2
71.04952	1.2
71.54913	2.2
75.33605	0.9
79.05482	14.7
81.03391	2.6
81.07047	18.0
83.04969	3.6
83.08615	13.1
91.05467	9.3
93.07032	10.0
93.76091	0.9
95.04974	4.8
95.08597	7.0
97.06525	3.3
97.10161	18.5
105.07000	7.5
107.04932	2.4
107.08572	8.6
109.06499	2.6
109.10134	3.5
111.04449	2.2
111.08039	2.0
117.07009	3.6
119.04921	1.1
119.08555	5.7
119.09303	0.9
119.34501	0.9
120.05829	1.1
121.06490	2.2
121.10151	3.5
123.04430	1.5
123.08054	6.8
125.09633	14.2
129.06978	1.5
131.08549	4.7
133.06468	3.5
133.10091	4.8
134.42609	0.9
135.08018	2.9
135.11717	2.3
137.05980	1.5
137.09624	2.9
137.78192	1.1
143.08572	1.2
145.10121	3.0
147.08073	2.7
147.11681	3.2
149.09630	1.3
153.09093	2.5
157.10164	2.7
161.09625	1.6
163.11194	1.8
165.09122	4.3
171.11703	1.7
175.11113	2.0
189.11211	7.8
189.12657	1.2
191.10725	1.3
223.13266	2.8
245.18800	2.0
249.14783	1.6
255.17635	1.3
273.18457	12.3
291.19522	100.0
292.19849	6.4
309.11322	1.2
309.20599	6.4
310.13223	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2055
Annotation	Soraphen O
Peak:m/z	Relative Intensity
52.23069	1.7
55.01850	5.3
55.05490	3.1
57.03165	2.1
57.03434	36.1
65.03924	2.4
67.05500	23.7
69.71962	10.6
69.72363	3.6
71.04961	1.8
75.42562	1.7
79.05483	10.0
81.07052	9.2
85.06535	34.3
91.05463	9.3
93.07030	9.6
95.04959	31.2
95.08594	6.7
105.07003	7.2
107.04963	2.5
107.08585	7.1
109.06504	35.9
109.10130	2.4
113.06001	100.0
117.06995	5.5
119.08553	4.0
121.10073	2.8
123.08008	1.8
129.07050	3.3
131.08531	8.0
133.06372	1.8
133.10120	3.0
135.08037	29.3
135.11691	3.0
143.08569	3.8
145.10078	3.4
147.07971	2.0
148.54770	1.7
149.09605	2.6
157.10121	3.3
159.11702	2.9
161.09613	5.0
211.89586	1.8
217.15871	10.4
273.18442	15.5
291.19550	43.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2056
Annotation	Albocycline
Peak:m/z	Relative Intensity
55.01876	8.8
55.05500	25.9
57.07059	8.4
57.65613	6.0
67.05508	35.6
69.07065	13.3
70.04064	9.5
71.04991	7.1
71.24822	11.8
75.16812	7.4
79.05480	33.6
81.03419	7.7
81.07044	66.2
83.04971	24.5
83.08595	7.7
85.06537	19.7
90.21748	6.3
91.05470	29.2
93.07029	32.8
95.04962	18.3
95.08596	18.5
97.06528	8.4
97.10130	6.7
98.21269	7.2
98.97623	7.3
105.06991	14.5
107.04893	7.0
107.08594	13.6
109.06528	17.6
109.10187	14.7
111.04398	32.2
111.08095	7.3
113.05994	8.7
117.06996	21.0
119.08579	14.5
121.06494	10.3
121.10146	16.9
121.35680	6.4
133.10126	9.0
135.08037	21.0
135.11681	10.1
137.59183	7.1
145.10190	10.3
146.99660	7.3
147.08046	9.4
155.01195	7.0
157.10135	7.1
163.11244	7.4
165.09142	12.6
191.10687	8.6
193.12305	14.6
199.23251	8.3
232.82169	8.3
249.23204	7.7
273.18411	17.6
283.30582	7.2
291.19553	100.0
309.11185	8.1
309.20554	68.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2055
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
53.03946	3.9
55.01858	12.4
55.05508	48.1
57.03423	7.3
59.04992	3.6
64.10441	2.1
67.05502	44.0
69.03418	6.8
69.06742	2.2
69.07066	23.4
69.82040	15.1
71.04980	6.4
79.05083	3.7
79.05492	41.2
81.03408	17.2
81.07052	100.0
82.07375	2.5
83.04971	17.6
83.08602	30.4
85.02897	6.0
85.06528	5.3
88.08128	2.1
91.05468	19.3
91.88947	2.3
93.07046	29.0
95.04966	22.0
95.08599	24.0
97.06529	11.2
97.09571	3.3
97.10162	42.0
99.04419	2.6
99.08092	11.8
105.07049	21.9
107.04930	6.6
107.08585	25.1
109.06494	11.0
109.10159	12.9
111.04436	16.6
111.08092	12.3
117.06266	2.0
117.07013	9.4
119.08583	13.0
121.06505	6.7
121.10123	11.6
123.08063	40.7
125.09610	33.9
129.07024	4.5
131.08560	9.4
133.10106	9.2
135.08035	9.7
135.11668	8.6
137.09621	12.3
139.07530	2.4
139.11145	3.9
143.08475	4.3
145.10092	9.5
147.08044	7.7
147.11647	5.3
149.09615	9.0
149.13240	3.5
153.09119	3.9
153.12737	6.6
157.10071	7.6
159.11723	3.1
163.11185	29.5
165.09125	12.8
171.11667	3.8
175.11150	5.8
181.12233	6.8
189.11201	26.8
191.10722	10.1
193.12221	15.1
211.13280	6.6
220.63362	2.2
223.13310	6.1
227.12778	7.0
227.18022	2.4
245.19005	2.7
273.18503	24.0
291.19507	64.5
292.19846	4.8
292.74649	2.8
309.20609	15.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2056
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
50.01816	2.3
53.03930	7.4
55.01868	13.0
55.05507	58.3
57.03422	6.8
62.92295	2.2
63.81966	2.4
67.05499	41.6
69.03416	9.4
69.07058	25.8
69.81354	2.2
69.92728	11.7
71.04995	7.0
73.33609	2.5
79.05482	45.2
81.03416	19.5
81.07049	100.0
83.04964	22.3
83.08617	28.0
91.05473	19.5
93.07035	31.3
95.04951	21.3
95.08598	23.3
97.06516	9.8
97.10158	42.1
97.10735	3.7
98.21436	5.1
99.04456	3.2
99.08102	5.2
105.07024	20.1
107.04942	7.7
107.08587	28.4
109.06513	5.0
109.10143	13.8
111.04435	17.5
111.08076	12.0
117.07026	8.4
119.08579	17.9
120.18668	2.3
121.06507	7.7
121.10135	9.6
123.08055	40.3
125.09612	36.2
129.06973	3.9
131.08578	10.3
133.06436	3.4
133.10120	5.1
135.08044	5.6
135.11673	9.8
137.09610	12.1
139.11188	5.7
139.72765	2.4
143.08508	2.6
143.10703	3.1
145.10098	11.7
147.08028	4.9
147.11668	4.6
149.09622	6.5
153.09099	3.3
153.12772	6.9
157.10112	5.8
159.11655	2.6
163.11154	32.2
165.09096	14.6
171.10158	2.2
175.11198	4.3
181.12231	6.9
189.11203	25.8
191.10704	7.5
193.12233	15.2
205.52315	3.3
211.13286	4.9
223.13312	7.2
227.12737	4.3
227.17882	4.5
245.18922	4.0
255.17349	2.7
263.20032	4.6
265.28076	2.4
273.18484	21.0
273.41803	2.5
291.19510	72.6
292.19986	3.8
309.20532	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	309.2055
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
53.03937	8.0
55.01867	23.9
55.05504	26.5
57.03431	61.6
65.03953	5.6
65.90578	3.1
67.05499	91.2
68.34425	3.2
69.03455	7.2
69.07072	20.6
70.88250	9.3
71.04974	14.8
75.04461	4.7
79.05486	51.6
80.79375	3.3
81.03409	17.8
81.07049	89.6
81.07533	5.6
83.04944	18.3
83.08611	9.0
85.02930	3.6
85.06542	8.5
91.05468	67.4
93.07030	63.6
95.04977	21.1
95.08591	100.0
97.06512	22.1
99.04450	7.3
99.08087	6.7
105.06342	4.6
105.07017	70.2
107.04935	25.3
107.08582	57.9
109.06483	24.7
109.10144	74.9
111.04417	9.0
111.08070	13.8
117.07045	15.6
119.08562	27.7
121.06492	14.9
121.10114	13.4
123.08061	10.2
123.11683	8.9
125.09597	3.7
127.07514	5.1
129.06985	14.0
131.08545	27.1
133.10114	95.4
135.08037	23.9
135.11650	10.8
135.69481	3.5
137.09618	6.0
143.08533	11.7
145.10152	17.4
147.07971	4.3
147.11691	4.6
149.09624	12.3
149.13261	5.5
151.11165	49.8
157.10114	9.1
159.11713	10.9
161.09573	8.8
161.13335	4.7
169.12207	10.3
171.11722	8.4
173.13304	6.0
175.11156	4.8
177.12691	4.0
179.64441	4.1
187.11165	5.0
191.14240	3.4
195.13832	3.8
199.14772	6.4
215.12744	4.7
217.15848	22.5
219.13765	3.6
227.17870	4.6
235.16782	8.1
238.32684	3.3
245.19032	9.9
249.14664	4.1
255.17426	6.2
263.19971	5.4
273.18463	29.0
291.19485	56.2
309.20636	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	309.2055
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
53.03921	7.1
55.01864	25.5
55.05503	70.0
55.47701	4.1
57.03421	8.1
59.04983	3.8
65.03926	4.3
67.05499	100.0
68.05848	3.8
69.03411	8.8
69.07056	47.7
70.00521	19.1
70.07404	5.8
71.04979	11.8
76.74582	3.1
79.05486	52.4
81.03417	16.5
81.07047	95.1
83.04969	18.7
83.08153	5.6
83.08614	47.8
85.02899	3.9
85.06527	11.5
91.05463	57.4
93.07034	53.0
95.04961	24.1
95.08598	51.7
97.06516	13.5
97.10161	16.8
98.06042	6.5
99.06406	3.4
99.08092	6.8
105.07016	54.5
105.35469	3.4
107.04956	13.6
107.08582	45.0
109.06507	13.8
109.10141	60.5
111.04421	14.4
111.08056	20.0
113.09649	4.2
117.07013	14.3
119.08572	25.3
121.06491	12.9
121.10135	20.7
123.04389	9.9
123.08020	21.7
123.11694	12.4
125.09632	15.4
129.07002	12.0
131.08539	14.6
133.06491	5.6
133.10115	65.3
135.08051	8.5
135.11667	17.6
137.05923	7.0
137.09607	10.0
139.07492	3.9
139.11153	7.7
143.08582	6.4
145.10115	14.9
147.08069	8.6
147.11696	10.8
148.11218	11.7
149.06007	4.1
149.09598	12.5
149.13298	6.0
151.07529	4.6
151.11183	30.6
157.10068	9.5
159.11697	9.9
161.09584	17.2
163.07529	3.1
163.11148	13.5
165.09138	12.6
167.10603	3.3
171.11659	5.1
173.13063	4.3
175.11183	12.4
179.10670	10.6
179.14388	3.5
185.09532	3.2
185.13255	5.2
187.11223	4.4
189.09122	3.6
189.11206	4.4
189.12747	7.9
193.12233	13.1
195.10086	4.0
205.12169	6.5
221.11789	6.4
223.13232	6.1
231.17393	4.0
245.19083	8.8
255.17400	5.9
259.20764	3.8
263.19998	6.8
273.18475	58.1
277.21591	11.6
291.19528	71.0
309.20499	47.2
309.23740	3.8
309.24719	4.0
309.28802	77.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1116
Annotation	Sterequinone E
Peak:m/z	Relative Intensity
50.32067	0.9
53.03937	1.2
53.05757	0.8
55.01851	2.0
55.05499	2.0
56.96556	1.7
57.03421	2.6
59.04994	15.5
67.05477	1.9
69.07079	1.2
69.58630	6.8
70.06593	2.3
72.08139	1.1
77.22775	1.0
79.05471	3.4
81.03432	1.4
81.07050	2.2
83.04982	1.2
84.08150	1.3
85.02906	1.8
86.09676	1.8
91.05473	4.2
91.35535	0.8
93.07004	1.2
95.04966	7.3
95.08580	1.7
96.89546	0.8
98.97588	2.2
103.05447	1.1
105.07034	2.9
107.04939	14.1
109.10139	0.9
111.04431	1.8
112.17949	1.0
115.05452	2.8
116.98623	1.3
117.06995	1.1
117.09106	3.8
119.04895	2.0
121.02879	0.9
123.04410	1.5
123.08081	1.1
128.06216	2.1
129.06978	2.0
131.04901	2.0
133.06462	1.1
134.99680	1.6
135.04402	3.1
137.05931	5.4
143.04909	1.0
144.05748	1.2
145.06514	2.2
146.07248	1.4
147.04408	1.9
151.03838	1.2
152.06229	1.4
155.04884	1.8
159.07994	1.5
161.05951	2.2
165.06953	5.2
165.08290	0.8
166.07635	0.9
171.04410	4.4
175.07512	2.1
177.06967	2.4
178.07745	21.8
179.08429	3.9
181.06432	1.3
185.05942	2.5
186.06744	7.5
187.07460	1.1
189.06969	15.6
190.07748	8.2
191.08542	12.1
192.05702	1.7
192.09236	2.1
193.10097	3.2
194.07234	1.9
195.08047	5.8
202.07764	16.4
203.08530	13.7
204.09122	1.9
205.06447	14.7
205.08272	1.3
206.07234	27.3
207.07997	10.2
208.08673	1.4
209.09691	0.9
217.06427	10.8
218.07239	11.3
219.08020	18.4
220.05217	4.8
220.08716	8.1
221.05952	3.9
221.09595	35.7
223.07504	9.8
231.08084	9.3
232.08694	2.3
233.05975	4.4
233.09505	1.5
234.06735	26.1
235.07494	20.9
236.08246	1.1
237.09123	4.4
238.09903	4.3
245.05942	8.0
246.06728	3.7
247.07500	9.1
248.08264	8.0
249.09079	51.8
250.06104	1.1
250.09813	8.5
251.07005	14.2
252.07549	0.9
253.12184	2.3
258.07132	1.1
259.07620	1.9
261.09064	2.1
262.06305	9.7
263.07120	4.9
263.10593	3.6
264.07712	2.6
265.08493	4.3
266.09427	10.1
267.06424	1.1
276.07547	1.6
277.08575	56.3
278.09262	6.8
279.06427	4.4
279.09918	2.2
281.11688	63.9
282.11887	1.4
282.59259	0.9
291.10092	9.1
291.19208	1.9
293.07922	1.4
294.08725	12.0
297.07568	1.1
309.11179	100.0
309.20947	1.9
310.11697	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	309.0964
Annotation	Unknow
Peak:m/z	Relative Intensity
53.71753	0.5
55.01859	0.6
56.05006	1.1
56.96558	0.6
57.03421	1.2
60.04507	1.0
61.02921	0.6
65.03920	1.1
69.03420	8.6
70.06578	4.7
71.74085	0.6
72.08136	2.1
73.02907	0.7
81.03397	1.0
81.07006	0.5
84.04490	3.0
84.08129	5.2
85.02883	2.0
86.09679	2.4
88.03979	1.0
91.05464	10.2
97.02885	2.5
98.97559	0.8
102.05463	0.6
107.04953	0.6
109.02825	0.8
110.07130	1.7
112.08727	0.7
116.07121	0.6
119.04930	26.4
120.08094	1.0
121.05090	0.8
122.58349	0.6
127.03925	3.9
129.10220	1.8
135.06648	1.3
136.06165	5.2
136.07207	0.5
136.07574	0.6
137.04645	0.7
138.07750	1.2
147.04390	100.0
148.04710	1.7
151.06104	0.6
160.06171	5.4
162.07713	0.7
163.02646	0.6
165.05443	1.0
177.00639	0.6
177.08820	11.9
185.05995	0.6
193.08501	0.9
200.62051	0.5
276.92868	0.6
291.08685	1.2
309.12720	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	308.2217
Annotation	Dihydrocapsaicin
Peak:m/z	Relative Intensity
50.29496	0.2
55.05496	0.2
55.90120	0.2
57.07055	0.4
58.02943	0.4
65.03917	0.3
66.04678	0.2
67.05486	0.5
69.07043	0.7
70.04071	0.3
70.48020	0.6
70.48396	0.3
71.08611	0.9
79.05472	0.8
79.96546	0.2
81.07050	2.1
85.10179	0.4
88.07639	0.2
91.05486	0.6
93.06991	0.2
94.04172	2.2
95.04957	0.4
95.08595	0.6
98.20702	0.2
98.21246	0.4
107.04964	0.4
107.08567	0.3
109.06502	0.9
119.08616	0.3
122.03635	7.2
131.08583	0.2
135.11726	0.2
137.05962	100.0
137.13245	0.8
138.06293	2.1
155.14246	0.2
165.12755	0.5
172.16936	1.6
184.16939	2.6
213.05687	0.2
291.20135	0.3
291.23148	1.5
308.11392	0.4
308.22305	0.4
308.25821	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2628
Annotation	Crinitol
Peak:m/z	Relative Intensity
53.30974	7.2
55.05496	11.6
57.07061	6.9
67.05492	81.7
71.75547	8.4
79.05474	20.6
81.07043	100.0
91.05439	7.8
93.07020	17.1
93.43573	6.7
95.08594	78.0
98.46370	6.3
99.28001	6.9
105.07001	9.8
109.06454	6.4
109.10143	36.5
111.58296	6.6
115.18858	7.5
116.54020	7.4
119.08624	10.1
121.10155	12.8
121.16443	6.3
123.11674	21.7
135.11671	8.4
140.89690	7.0
145.10152	7.4
147.11676	8.9
149.13206	7.9
159.11589	9.1
163.11165	7.7
163.17445	5.8
170.19067	6.8
177.16364	8.4
183.11597	7.3
229.12242	14.0
243.20869	7.8
261.22083	17.4
307.22437	7.7
307.26147	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	308.1125
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.9
57.03429	1.8
59.97588	0.2
60.78474	0.2
61.02922	2.2
69.03425	0.9
69.48615	2.0
69.49036	0.5
70.06587	0.7
71.01356	0.5
72.08158	0.3
73.02907	15.5
84.08131	0.4
85.02901	2.0
86.09701	0.4
87.04469	0.6
92.14751	0.3
92.66570	0.3
97.02867	0.9
103.05457	0.5
105.06998	0.3
110.19088	0.3
115.03918	2.5
130.06512	100.0
131.06860	3.2
132.04459	0.3
133.04941	1.6
142.06520	0.3
143.07271	0.5
144.08078	3.5
146.05971	0.4
154.06335	0.3
156.08118	0.3
157.07539	0.5
158.05951	0.7
158.07951	1.3
159.06339	1.9
160.07610	0.5
168.08095	0.4
170.05949	1.0
172.07567	4.1
175.08632	0.3
176.07051	53.2
177.07329	0.9
184.07547	0.3
188.07043	2.0
208.07513	0.5
218.08130	3.6
226.08638	1.8
244.09940	1.3
254.08118	0.9
255.03712	0.3
262.08716	0.5
272.09189	1.7
290.10522	1.2
308.11310	1.6
309.11160	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2626
Annotation	9-Hydroxygeranyllinalol
Peak:m/z	Relative Intensity
51.92211	3.0
55.05492	4.1
59.58204	2.9
67.05495	71.9
67.33698	3.2
69.07048	12.5
69.78486	2.8
71.00639	3.8
71.00993	9.2
79.05478	8.5
81.07045	100.0
83.08607	5.7
93.07024	13.0
93.12456	3.1
95.08590	76.8
97.10172	5.2
105.06996	3.9
107.08601	4.0
109.10159	34.8
121.10125	9.7
122.23927	3.5
123.08022	3.5
123.11703	12.7
128.90407	3.3
131.08601	4.6
135.11720	6.2
136.06255	2.9
137.13278	3.2
143.54221	3.0
144.33449	3.7
147.21858	3.0
149.13326	3.1
194.37883	3.2
307.26529	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	307.2628
Annotation	9(Z),11(E),13(E)-Octadecatrienoic Acid ethyl ester
Peak:m/z	Relative Intensity
53.03950	2.0
55.01856	0.6
55.05503	10.1
57.03435	0.5
57.07073	2.1
65.03940	2.4
67.05498	92.0
68.05840	0.5
69.03439	0.6
69.07058	11.5
70.35221	1.8
71.04993	1.8
71.08633	1.0
75.88905	0.5
77.03944	0.6
79.05484	17.8
81.07047	100.0
82.07353	0.8
83.04983	1.7
83.08614	6.6
85.06539	2.4
87.04465	0.8
91.05466	7.4
93.07033	16.9
95.04962	1.8
95.08595	80.9
96.08939	0.9
97.06529	3.7
97.10152	2.9
98.21415	0.7
99.08069	1.6
101.06067	1.3
105.07027	7.0
107.04904	1.2
107.08584	13.0
109.06521	2.8
109.10144	32.7
110.08724	0.6
111.08080	1.4
111.11660	0.6
113.09652	1.0
115.07517	0.8
117.06992	3.1
119.08572	7.2
121.02848	0.7
121.06509	0.8
121.10135	10.9
123.08044	2.4
123.11695	16.7
125.09613	1.6
129.09055	1.0
131.08566	7.7
133.10115	5.2
135.08009	1.2
135.11684	7.6
137.09581	2.3
137.13237	9.6
139.11200	0.8
145.10074	5.3
147.11647	4.6
149.09604	3.1
149.13261	4.1
151.11160	2.0
151.14819	4.2
153.12700	1.4
157.10104	0.7
159.08031	0.5
159.11688	5.6
161.13281	3.4
163.11191	3.6
163.14809	4.4
165.00827	0.5
165.12752	3.5
165.16345	1.9
169.12262	0.7
173.13281	6.7
175.14870	1.2
177.12714	3.2
177.16296	4.1
179.14258	1.9
187.14763	4.5
191.14326	2.9
195.13802	0.8
201.16368	0.7
205.15781	1.1
217.19443	0.6
219.03606	0.5
219.21005	1.6
223.16977	0.6
229.12099	0.7
233.22612	0.9
237.18457	1.1
243.21059	8.8
251.19951	0.9
257.19217	0.6
261.22122	10.1
275.19934	2.4
307.22580	2.9
307.26184	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	307.2626
Annotation	9(Z),11(E),13(E)-Octadecatrienoic Acid ethyl ester
Peak:m/z	Relative Intensity
53.35102	3.0
54.93354	2.8
55.05502	12.7
59.95624	2.9
67.05502	100.0
69.07050	13.9
69.45091	2.9
71.06750	2.9
71.73492	3.5
79.05484	14.3
81.07052	100.0
83.08599	8.7
87.70136	3.2
91.05477	5.2
93.07033	19.1
95.08598	77.8
105.07027	7.8
107.08587	10.4
109.10152	50.8
117.07010	3.6
119.08566	7.0
121.10133	11.5
123.11694	22.5
131.08521	9.4
131.75468	3.1
133.10117	9.1
135.11720	6.0
137.13245	7.5
145.10150	4.8
200.53752	3.4
243.21031	4.5
244.63089	3.1
261.22098	3.8
307.26343	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	307.2629
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08029	0.7
52.30163	0.7
53.03938	0.8
54.59996	0.8
55.05506	7.6
57.07067	2.8
59.27798	0.7
62.65431	0.8
65.03934	1.4
66.64292	0.9
67.05499	76.0
69.07066	8.1
70.27109	1.8
70.27502	1.8
71.04983	1.3
79.05488	11.4
81.07051	100.0
82.07367	1.1
83.04961	1.0
83.08622	7.5
85.06525	1.7
87.04427	1.2
91.05482	4.6
91.05971	0.7
93.07035	11.9
95.05000	0.8
95.08598	83.4
95.57509	0.7
97.06529	2.9
97.10149	6.2
99.08080	1.5
101.05989	1.2
105.06446	0.8
105.07004	4.7
107.08585	9.6
109.06495	1.7
109.10149	56.3
111.08088	1.3
111.11704	1.6
115.07584	1.1
117.07020	1.1
119.08566	5.5
121.10142	11.9
123.08048	2.8
123.11695	36.7
125.09644	1.8
129.09155	1.2
131.08557	6.4
133.10138	6.0
135.08009	1.2
135.11690	8.7
137.09621	3.5
137.13229	13.6
139.11148	1.1
145.10167	5.0
147.11685	4.7
149.09593	2.7
149.13252	5.2
151.11150	3.1
151.14787	5.7
151.46925	0.8
159.11720	6.4
161.13264	5.3
163.11147	3.1
163.14842	5.1
165.12720	2.9
165.16402	2.1
169.12199	1.0
173.13225	8.1
177.12740	2.8
177.16347	4.5
179.14354	2.4
183.33328	0.8
187.14845	6.5
201.16365	3.0
205.15901	1.9
215.17827	0.9
219.17567	0.9
219.21033	2.8
223.16994	1.0
229.12294	1.2
233.22751	0.9
237.18428	1.4
243.21057	12.7
246.25452	0.8
251.20009	2.4
261.22153	17.7
307.26282	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	307.2264
Annotation	Methyl haplodesertoate
Peak:m/z	Relative Intensity
51.87174	1.3
53.03935	3.5
55.01854	5.0
55.05509	16.2
57.03446	2.4
57.07066	1.9
65.03926	2.6
67.05501	27.2
69.03403	2.4
69.07061	10.9
69.60639	12.9
71.04964	2.3
72.04536	1.7
79.05486	35.4
81.03410	5.8
81.07051	100.0
83.04964	3.7
83.08600	11.1
85.06547	3.3
91.05476	21.8
93.07037	20.3
95.04939	10.9
95.08606	17.5
97.06519	6.3
97.10130	2.2
98.21431	2.8
105.07021	26.0
107.04929	5.7
107.08581	15.7
109.06512	59.1
109.10150	6.6
111.04429	4.0
111.08078	3.5
117.06996	7.3
119.08561	17.8
121.06485	6.6
121.10139	11.6
123.08046	8.3
123.11711	2.5
125.09629	3.1
129.06953	1.9
131.08540	10.6
133.10115	16.5
135.08063	3.0
135.11700	5.8
137.09592	4.7
143.08543	3.3
145.10117	8.5
147.11674	14.0
149.09610	6.6
149.13251	6.8
151.11176	2.9
157.10109	3.9
159.11670	5.4
161.13185	2.3
163.11153	7.8
163.14813	3.2
165.12708	8.5
173.09695	2.3
173.13274	4.7
175.11162	3.6
177.12753	3.0
183.11658	2.2
187.11205	1.9
187.14868	2.6
193.12245	4.5
201.12737	2.2
220.38519	1.4
229.19536	2.9
239.18018	2.2
247.13202	2.2
247.20502	4.0
251.16309	3.2
257.18979	7.6
268.46460	1.4
275.20044	51.3
275.23047	2.7
276.20300	1.9
289.21719	4.1
291.23233	7.3
291.26129	1.5
307.22620	32.9
308.25839	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	307.2265
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01624	4.0
52.35562	4.4
53.03945	21.7
55.01854	15.7
55.05505	87.9
58.35119	3.6
65.03911	5.4
67.05492	95.7
69.07059	37.7
70.06995	9.3
70.07408	18.4
71.04967	7.5
79.05486	61.5
81.03413	47.2
81.07046	91.2
81.07465	3.0
83.04965	14.7
83.08611	100.0
85.06545	8.6
91.05469	49.3
93.07037	52.5
95.04961	29.6
95.08587	53.3
95.40350	4.0
97.06513	15.6
99.08072	4.3
105.07012	33.2
106.82460	4.9
107.04936	48.8
107.08589	31.7
109.06503	17.9
109.10156	19.4
111.08108	21.5
113.09637	6.0
117.07016	15.2
119.08532	34.6
121.06486	7.1
121.10130	45.5
123.04462	6.9
123.11694	7.2
129.06990	7.3
131.08546	28.7
133.06499	4.3
133.10097	18.3
135.07985	7.7
135.11655	24.8
137.05989	4.7
137.09558	5.5
139.11113	5.0
143.08525	3.9
145.06450	8.7
145.10095	35.8
147.11676	21.7
149.09601	28.8
149.13216	8.0
151.07567	4.8
155.08513	10.4
157.10124	5.9
158.58095	5.3
159.11658	16.2
163.11162	49.6
165.12767	12.6
173.09583	23.9
173.13196	9.9
177.12773	5.9
183.11650	11.6
187.11201	6.6
191.10667	8.7
192.75639	4.3
201.12703	8.1
221.72891	4.2
229.12181	10.6
257.19061	9.9
275.19971	28.7
307.22647	87.2
307.28149	5.3
308.22977	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	307.2264
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	15.6
55.01868	37.9
55.05506	32.4
67.05202	4.4
67.05503	62.9
68.44457	3.5
69.03397	4.3
69.07065	44.3
69.43606	46.5
79.05485	59.0
81.03416	26.2
81.06609	6.4
81.07051	100.0
83.04964	14.4
83.08598	14.9
85.06520	5.9
91.05463	50.4
93.07029	44.0
95.01340	4.3
95.04959	20.6
95.08602	38.3
97.06525	65.5
97.10123	11.0
98.21524	6.2
105.07009	52.1
107.04946	36.8
107.08568	30.0
109.06503	27.7
109.10136	14.2
111.08035	6.5
117.06982	17.4
119.08560	35.7
121.06431	3.9
121.10104	14.2
123.08037	9.5
125.09596	16.1
131.08559	15.5
133.10110	32.4
135.08064	5.2
135.11612	11.2
135.38609	4.0
143.08565	5.6
145.06430	4.6
145.10115	16.6
147.11684	22.2
149.09601	28.8
149.13228	9.6
159.11673	15.9
161.13280	6.0
163.11159	10.9
169.10146	5.3
173.13219	7.1
175.11165	3.7
177.12761	10.9
179.14249	13.0
189.12865	3.8
203.12718	10.4
209.15218	6.5
229.12112	4.9
229.19371	8.1
231.01193	4.2
239.18161	4.2
247.20552	8.6
257.19055	8.9
275.19998	71.7
307.22626	17.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2265
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	7.3
55.01869	11.4
55.05507	60.6
55.24375	2.1
57.03415	2.8
57.07066	3.0
59.04979	2.5
65.03931	4.4
67.05502	57.7
69.03413	8.7
69.07065	23.8
69.62759	2.4
69.63105	18.0
71.04982	4.8
71.08636	2.7
75.07367	2.0
76.98745	2.2
79.05487	66.7
80.27856	1.8
81.03432	9.6
81.07054	60.3
81.09501	1.6
82.29364	1.9
83.04980	7.4
83.08611	39.9
85.06536	4.9
91.05470	33.4
91.63120	1.9
93.07041	46.4
95.04961	81.2
95.08609	29.6
97.06502	9.5
97.09577	2.7
97.10166	33.4
99.08129	3.0
105.07018	36.9
107.04966	19.2
107.08588	59.2
108.51540	2.1
109.06495	12.3
109.10158	16.0
111.04459	3.3
111.08099	5.7
113.09661	2.9
117.07007	18.0
119.08577	31.3
121.06469	11.6
121.10135	22.8
122.33776	2.0
123.04356	1.9
123.08038	9.2
123.11689	4.2
125.09624	39.3
128.06155	2.1
129.07068	4.3
131.08548	24.2
133.06497	2.7
133.10120	18.0
135.08051	16.5
135.11679	10.7
137.09628	7.8
139.11145	2.5
141.07024	2.4
143.08545	6.8
145.06488	3.7
145.10118	29.6
147.08066	5.2
147.11658	14.2
149.09596	58.3
149.13246	3.7
151.11156	6.2
153.09134	9.3
155.08595	3.3
155.10585	2.3
157.10135	2.8
157.12186	2.7
159.08089	2.3
159.11684	15.4
161.09639	5.7
161.13275	6.8
163.11176	30.4
165.12755	8.6
169.10139	2.8
171.10204	2.6
171.11655	3.8
173.13268	5.7
175.11147	3.6
177.12758	6.3
179.10805	2.5
183.11662	3.3
187.11195	4.5
193.12216	3.1
195.13925	2.0
201.12709	3.6
203.12776	25.1
205.12218	8.5
207.13828	2.6
219.13791	3.1
229.12180	3.1
229.19519	5.9
237.14738	13.5
239.17935	6.1
247.13203	4.6
247.20583	5.4
257.18988	12.5
275.20035	100.0
276.20370	3.7
289.18152	2.9
289.21371	4.1
307.22696	66.6
308.23019	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2264
Annotation	Wyethic acid
Peak:m/z	Relative Intensity
53.03928	4.1
55.01880	3.1
55.05272	1.9
55.05505	21.6
57.03425	5.3
57.07054	4.2
59.04992	3.7
64.25842	1.6
65.03925	3.8
65.77590	1.6
67.05502	46.8
68.05855	1.9
69.03412	3.4
69.07063	24.8
70.98621	3.4
71.04618	2.7
71.04987	38.3
73.06554	2.0
79.05489	39.6
80.05789	2.0
81.03394	3.1
81.07047	75.6
83.04967	5.9
83.08606	8.6
85.06522	5.6
91.05470	34.3
93.06510	2.9
93.07042	38.2
94.04239	1.8
95.04951	9.9
95.08593	30.6
97.05974	1.9
97.06513	11.2
97.10130	3.4
98.06065	1.7
99.04434	5.5
99.08087	11.4
103.05412	1.7
105.07026	44.0
107.04935	6.7
107.08592	26.0
109.06514	25.4
109.10139	13.3
111.04436	100.0
111.08064	6.6
117.06973	11.0
119.07758	2.1
119.08575	24.3
121.06490	10.7
121.10134	15.5
123.08058	18.6
123.11690	6.7
125.05960	7.5
125.09602	7.9
129.06999	3.5
131.08557	13.2
133.10104	17.1
135.08032	6.4
135.11671	8.6
137.05945	2.6
137.09601	11.3
141.07007	2.1
143.08542	4.8
145.10097	11.4
147.07991	2.4
147.11662	13.0
149.09586	11.1
149.13278	3.7
151.11172	7.1
153.09190	2.5
157.10159	3.8
159.11696	7.9
161.09598	2.2
161.13222	7.0
163.11194	4.6
165.12752	5.7
171.11668	4.2
173.13289	5.1
175.11104	3.0
177.12758	3.6
183.11694	2.0
187.14755	1.8
191.14209	2.2
191.17880	2.5
201.12842	2.8
229.15875	1.9
229.19391	3.2
239.18022	1.9
247.20543	5.2
251.17162	1.9
257.18994	4.1
275.20053	33.4
276.20328	2.1
279.23248	3.9
284.41815	1.8
289.21558	3.4
307.22653	71.4
307.27881	9.0
308.22961	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	307.2266
Annotation	Methyl haplodesertoate
Peak:m/z	Relative Intensity
53.03930	2.7
55.01862	5.0
55.05508	16.6
57.03434	1.3
57.07073	3.4
61.54606	1.3
67.05135	2.0
67.05496	32.4
69.03413	1.4
69.07062	22.1
71.05013	1.9
71.67329	2.8
76.59343	1.4
79.05482	22.8
81.03403	2.7
81.06602	2.8
81.07049	37.9
83.04960	7.4
83.08613	7.3
83.15636	1.2
85.06575	1.6
91.05472	23.4
93.07038	27.9
95.04967	12.8
95.08598	26.5
97.06542	5.5
97.10157	5.3
98.06049	5.6
105.07020	26.9
107.04945	7.6
107.08581	18.0
109.06506	13.7
109.10142	10.5
111.08038	2.3
117.07017	6.0
119.08569	19.5
121.06487	10.9
121.10131	8.9
123.08063	4.8
123.11722	2.6
125.09624	1.7
129.06984	3.6
131.08559	15.9
133.06445	1.8
133.10115	18.2
135.08022	8.1
135.11678	5.8
137.09622	5.0
141.06987	1.9
143.08586	4.2
145.06403	2.3
145.10078	15.5
147.08041	4.2
147.11662	15.2
149.09622	5.8
149.13300	1.7
151.11151	7.7
155.08594	2.5
157.10132	3.8
159.08113	2.3
159.11684	10.2
161.09619	3.6
161.13251	4.1
163.11182	6.9
163.14813	1.8
171.11694	2.5
173.09604	3.7
173.13243	4.2
175.11162	3.7
177.12759	3.4
183.11693	4.1
187.11234	3.3
189.12877	2.0
191.14284	3.5
197.13239	1.6
201.12750	6.3
207.13847	3.5
215.17880	2.8
219.13823	6.2
227.16388	1.5
229.12323	1.7
229.19395	4.0
233.15291	1.9
239.17920	3.9
247.13097	1.5
247.20619	5.4
257.18945	15.1
261.18448	4.4
275.20050	100.0
276.20389	4.4
289.17941	1.6
289.21640	5.3
307.22681	44.2
307.26184	2.5
308.23276	2.3
308.29449	61.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.19
Annotation	Capsiate
Peak:m/z	Relative Intensity
53.03936	4.4
55.01866	25.4
55.05274	2.5
55.05510	32.3
57.03419	4.1
57.07063	2.9
59.04977	3.7
65.03917	2.5
67.05497	32.4
68.99779	2.2
69.02991	1.4
69.03414	8.6
69.07063	21.7
69.57910	1.6
70.34429	6.0
71.04961	8.2
79.05489	27.6
81.03394	6.8
81.07051	42.7
83.04956	14.9
83.08613	18.7
85.06519	3.3
91.05468	24.3
93.07038	30.3
95.04977	11.6
95.08605	11.8
97.02870	6.4
97.06516	20.6
97.10159	28.8
103.05414	2.1
105.07018	13.9
107.04931	9.8
107.08575	26.5
109.06515	18.3
109.10123	9.3
111.04431	2.7
111.08068	3.9
117.06988	7.7
119.01901	1.9
119.08572	14.9
121.02831	3.8
121.06490	51.4
121.07313	3.6
121.10126	6.1
122.03610	2.6
123.04411	5.2
123.08060	9.5
123.11687	6.7
125.02334	6.2
125.09621	21.5
127.07560	9.4
129.06978	3.7
131.08553	8.4
133.10121	5.9
135.04341	3.0
135.08034	14.9
135.11679	9.0
137.05966	45.9
137.09599	8.3
138.03387	1.8
138.06303	32.4
139.07526	100.0
141.07005	2.0
143.08559	4.6
145.06439	5.6
145.10104	8.6
147.08047	3.8
147.11685	4.6
149.09601	7.6
151.11177	2.8
153.09058	6.7
153.12726	5.0
155.08540	2.3
159.08060	6.3
159.11598	2.1
161.09558	2.0
163.07515	24.8
163.11177	15.5
169.10091	1.8
173.09608	4.6
173.13234	3.0
177.09071	2.2
181.08554	5.9
181.12221	5.5
183.11673	3.6
187.13293	3.1
189.11238	14.4
191.10625	6.5
193.12224	57.9
201.12695	3.8
213.75137	1.9
219.13832	11.7
229.12216	4.5
243.17429	5.3
261.18475	19.5
262.96252	1.9
267.06738	2.8
271.16824	12.0
289.17963	87.9
307.19104	37.8
307.22549	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	307.1682
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93754	0.4
55.01844	0.5
56.05033	2.2
58.06598	3.7
67.05499	0.6
69.03413	0.5
69.07077	0.9
69.41908	3.4
69.42332	1.2
70.06593	1.1
76.02221	0.6
79.05483	0.5
81.07043	1.1
84.04499	23.6
84.08135	100.0
85.02876	0.5
85.08445	1.0
85.49744	0.4
86.06055	7.3
86.09697	6.9
88.03978	1.8
89.05110	0.4
91.05465	0.4
93.07027	0.4
98.09673	0.4
105.07033	0.8
107.08573	0.6
109.06431	0.5
114.12804	0.5
117.06946	0.5
130.06528	0.5
130.08636	1.9
131.08556	0.7
140.03375	0.5
141.13849	6.8
144.10197	1.0
147.04358	0.5
158.05986	0.4
159.08029	0.6
169.11978	0.7
169.13351	9.7
179.04741	0.8
183.11693	0.6
198.11267	1.2
201.12688	0.8
215.13896	41.0
216.14308	0.9
229.12170	1.4
243.17027	56.2
244.17479	0.9
247.13318	1.0
250.73683	0.4
261.16272	0.7
262.11172	3.3
289.11734	0.9
306.07819	0.5
307.13260	1.0
307.16830	15.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.19
Annotation	Compactin diol lactone
Peak:m/z	Relative Intensity
53.03938	5.1
55.01867	22.6
55.05510	55.8
57.03432	29.3
57.07077	4.9
65.03934	4.0
67.05497	53.5
69.03428	7.6
69.07061	21.8
71.04986	10.8
76.02211	2.9
79.05489	52.4
81.03404	10.5
81.07050	49.2
83.04978	9.4
83.08610	23.0
85.06540	5.3
91.05473	46.9
91.06042	2.5
93.07034	31.1
95.01322	4.6
95.04952	33.3
95.08618	20.4
97.06522	11.0
97.10155	32.0
99.04455	2.5
103.05454	2.8
105.07018	34.8
106.74336	2.0
107.04938	35.2
107.08588	31.2
109.06509	27.6
109.10143	16.1
111.04472	3.5
111.08115	3.2
113.05946	2.5
115.05426	5.2
117.07019	22.2
119.08559	22.7
120.05690	2.2
121.02811	5.0
121.06496	66.3
121.10152	8.4
123.04432	5.6
123.08076	14.2
123.11718	4.2
125.09625	24.1
129.06984	5.3
131.08562	20.4
133.06490	5.9
133.10139	11.6
135.04393	3.0
135.08049	33.8
135.11679	4.4
137.05954	4.2
137.09610	16.5
141.06956	3.4
142.07764	3.5
143.08537	7.6
144.05685	3.5
145.06482	6.9
145.10110	10.4
147.08020	13.6
147.11697	9.5
149.09633	8.8
151.07571	5.9
151.11191	5.9
153.09105	5.6
155.08519	5.9
157.10164	8.8
159.08041	83.8
159.11714	7.3
159.91875	2.4
161.09639	9.5
161.13261	3.7
163.07521	46.6
163.08882	2.6
163.11206	5.6
165.09088	2.6
165.12782	4.0
169.10117	6.2
171.11722	5.5
173.09587	12.9
173.13225	6.0
175.07504	2.6
175.11230	5.7
177.09077	10.3
177.12759	3.6
183.11691	8.5
185.09569	10.5
185.13167	2.6
187.11160	5.7
187.14819	4.8
189.09344	3.2
189.11229	11.7
189.12744	3.0
191.10664	3.3
191.14212	2.6
193.10158	2.0
193.12224	5.9
197.09709	3.9
199.11136	4.0
201.12715	10.2
205.12170	2.9
205.15843	1.9
211.11227	5.6
215.14299	7.1
219.13762	17.4
229.12270	5.2
233.15314	15.0
237.14777	5.3
243.17422	10.0
247.13315	4.1
253.15849	18.3
261.18475	11.6
271.16922	26.0
275.20078	9.1
280.19086	2.9
289.17935	100.0
290.18481	4.0
307.09503	3.1
307.19019	49.3
307.22623	17.2
312.71381	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1647
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.0
55.01856	1.1
55.05504	1.5
67.05501	2.7
69.07064	1.4
69.93438	0.6
70.06587	1.0
70.64281	0.5
71.04965	0.6
72.08141	1.0
76.02213	1.7
79.05480	2.3
81.03374	0.6
81.07038	6.1
84.04514	1.2
84.08124	1.2
85.02842	0.6
85.06522	0.6
85.58174	0.5
91.05467	3.6
93.07040	3.7
94.06551	0.6
95.04958	2.0
95.08591	3.8
96.08124	0.9
97.06477	1.2
99.04482	0.9
103.05437	1.4
105.06997	1.6
107.08581	2.3
109.06471	0.9
109.10152	1.7
117.06986	1.2
117.53606	0.5
119.08562	3.5
119.22886	0.4
121.02834	0.6
121.06433	0.6
121.10128	1.0
122.06019	1.2
123.04412	2.0
123.06782	1.6
123.08047	0.6
123.11690	1.1
124.07577	7.1
125.09595	0.5
126.09153	4.3
131.04965	1.4
131.08551	1.0
132.44421	0.6
133.10114	1.0
135.11658	1.1
136.07558	58.3
137.07890	1.7
138.09120	51.2
140.07030	1.8
143.08521	1.6
145.10141	0.8
147.98235	0.5
149.05962	1.7
149.13243	0.7
151.07516	0.7
152.07054	16.4
159.08061	0.6
159.11662	1.1
161.09615	0.7
161.13228	0.6
164.07047	100.0
165.07373	1.5
167.06984	0.9
169.10068	0.5
170.08150	4.2
171.11664	0.7
173.09579	0.7
173.13225	0.9
175.11172	1.1
177.05527	0.8
182.08109	22.1
183.11703	1.1
187.11200	0.9
191.08182	1.1
201.02089	0.6
201.12753	1.4
226.22919	0.5
229.12227	2.2
229.58612	0.8
236.20018	0.7
247.13248	1.1
251.06906	1.8
263.06952	0.9
267.06442	0.8
278.23004	0.6
279.06589	0.7
279.10144	2.0
289.08331	0.7
289.15366	3.4
289.18060	0.6
292.07315	1.8
295.17017	0.6
307.05923	2.9
307.09525	16.1
307.12717	1.7
307.15714	2.0
307.19379	0.6
307.26208	0.6
308.06790	0.7
308.10074	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1537
Annotation	14-Hydroxyplatensic Acid
Peak:m/z	Relative Intensity
53.03944	4.3
55.01867	81.0
55.05505	17.9
55.92471	1.5
57.03424	6.1
57.07070	2.4
58.17269	1.4
65.03922	5.4
67.05497	27.1
68.99783	1.8
69.03416	7.2
69.07056	14.9
70.13468	6.5
71.01344	4.0
71.04984	2.3
73.62363	1.5
76.02239	1.3
79.05020	2.2
79.05485	42.4
79.05930	3.1
81.03408	31.2
81.07047	33.3
83.04961	6.7
83.08611	8.3
85.02901	2.9
85.06548	2.6
91.05469	33.6
92.37571	1.3
93.03399	2.8
93.07035	29.7
94.83673	1.3
95.01320	12.8
95.04961	29.2
95.08588	24.0
97.02882	8.0
97.06516	5.2
97.10133	3.2
99.04385	1.6
103.05462	5.0
105.03376	2.3
105.04520	2.0
105.07011	24.5
107.04939	36.1
107.08578	17.0
109.02890	6.8
109.06497	9.4
109.10146	9.6
111.00809	5.0
111.04442	4.5
111.08082	3.3
115.05424	3.5
117.07007	15.9
119.04934	6.7
119.08560	15.6
121.02853	32.8
121.03655	2.8
121.06496	29.2
121.10110	9.5
123.04404	10.8
123.08073	6.6
123.11704	3.5
125.02332	16.6
128.06215	3.8
129.06978	10.5
131.04933	6.2
131.08546	23.0
133.06471	13.7
133.10109	11.9
135.04398	16.2
135.08040	11.8
135.11708	4.6
137.06004	5.8
137.09595	2.9
137.13306	1.4
139.03886	5.6
139.11172	2.8
141.07001	4.2
142.07863	1.6
143.08533	7.3
145.06482	6.5
145.10094	10.8
147.04407	12.6
147.08029	8.4
147.11668	5.0
149.05965	10.9
149.09605	9.9
149.13231	5.1
151.03914	5.0
151.07582	2.5
151.11226	1.9
153.05460	1.7
155.08582	4.6
157.10123	4.7
159.04390	1.8
159.08049	5.6
159.11676	9.5
161.05984	4.6
161.09607	5.1
161.13242	3.7
163.03888	29.5
163.07549	5.7
163.11131	3.4
163.14877	1.9
165.05505	3.7
169.06480	1.5
169.10172	5.3
171.08122	2.2
171.11682	5.5
173.05968	4.0
173.09622	2.1
173.13243	4.2
175.07582	2.5
175.11220	3.2
177.05467	5.8
177.12695	10.5
179.14302	2.9
181.80705	1.6
183.07985	1.7
183.11690	4.2
187.07500	4.5
187.11185	6.0
187.14777	1.9
189.09286	1.6
189.12738	5.8
191.07016	4.4
191.14317	2.2
193.12259	2.9
197.09589	2.4
197.13283	6.2
199.11081	3.3
201.12772	6.4
204.86331	1.4
205.08670	1.6
205.12299	9.1
206.04509	1.6
207.11887	1.9
207.13768	23.2
215.14235	9.4
217.12187	4.6
219.13815	7.0
223.13208	2.4
225.12740	5.1
233.15303	10.3
235.13263	1.7
243.13795	12.6
245.15451	3.0
247.13315	5.9
253.12277	2.3
261.14841	59.6
262.15417	1.6
269.13956	4.1
271.13364	6.7
289.14322	100.0
290.14581	2.4
307.09729	3.6
307.15384	32.9
307.18964	2.5
307.26401	9.8
308.15601	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1537
Annotation	14-Hydroxyplatensic Acid
Peak:m/z	Relative Intensity
53.03926	6.9
54.64171	1.5
55.01867	72.7
55.05510	21.5
57.03436	10.7
57.07050	6.1
59.04973	1.7
60.62881	1.6
62.24964	1.6
65.03909	4.1
67.05494	38.8
68.99787	2.2
69.03401	6.0
69.06697	1.9
69.07059	26.0
70.06583	12.4
71.01335	5.2
71.04967	4.6
71.06894	1.9
71.74893	2.5
72.08139	3.8
76.02213	8.5
79.05487	50.6
81.02951	2.1
81.03407	32.3
81.07047	61.5
83.04961	10.4
83.08627	9.2
84.04492	3.5
85.02868	3.1
85.06505	4.8
86.09700	2.0
87.04462	2.0
88.07587	3.4
91.04926	3.2
91.05472	44.5
92.26230	1.7
93.03364	4.0
93.07030	36.3
95.01299	7.7
95.04388	3.1
95.04950	31.4
95.08594	43.5
97.02889	11.9
97.06504	7.5
97.10146	6.9
102.09185	2.4
103.05437	6.5
105.03384	2.9
105.07016	34.6
105.07702	2.2
107.04942	37.8
107.08578	27.1
109.02871	8.5
109.06493	15.8
109.10146	22.2
111.00774	6.8
111.04403	4.1
111.08045	5.6
111.11724	1.7
115.05512	3.6
116.00688	1.4
116.01643	2.7
116.06262	2.0
116.07056	1.8
116.89334	1.5
117.06990	17.6
119.04939	9.2
119.08566	24.3
121.02850	25.7
121.06492	28.4
121.10129	15.3
123.04418	12.9
123.08036	10.2
123.11701	11.7
125.02338	15.6
125.05920	1.9
125.09662	2.0
128.06197	5.0
129.07002	10.9
130.05006	2.2
131.04916	9.1
131.08562	23.0
132.10181	2.3
133.06476	15.4
133.10101	14.2
135.04395	23.1
135.08035	14.8
135.11685	9.6
137.05939	10.4
137.09607	4.6
137.13214	3.1
139.03876	4.6
139.07466	2.7
139.11076	2.3
141.06967	5.3
142.07748	4.0
143.03366	1.7
143.08574	9.3
144.05617	1.6
145.06453	11.3
145.10104	14.2
146.11728	3.1
147.04425	11.5
147.08014	10.8
147.11653	9.3
149.05992	13.2
149.09601	11.0
149.13245	8.2
151.03902	5.1
151.07567	3.6
151.11198	2.9
153.05403	3.3
153.06841	1.8
154.07678	1.9
155.08527	8.0
157.06482	2.6
157.10092	7.3
159.04404	2.5
159.08011	8.9
159.11705	11.8
161.05974	5.0
161.09605	7.6
161.13261	5.3
162.02142	4.8
163.03888	46.1
163.07547	7.5
163.11157	3.8
163.14780	2.9
165.05595	3.5
165.06924	2.4
165.09103	2.7
167.08482	2.7
169.10092	5.1
171.08031	2.9
171.11739	7.3
173.05954	5.6
173.09573	5.2
173.13206	7.4
175.11174	5.3
177.05469	7.8
177.09091	3.3
177.12784	9.7
179.04791	4.4
179.10614	2.8
181.10068	2.3
183.11694	7.6
185.09656	3.2
187.07463	4.4
187.11154	9.2
187.14804	3.6
189.12758	5.8
191.07033	4.1
191.14363	4.0
193.12250	2.5
197.09511	2.7
197.13220	7.1
199.11156	1.8
199.14972	1.8
200.20042	3.1
201.12735	10.2
201.20462	7.7
203.10564	2.5
205.08583	2.8
205.12183	11.1
207.13786	26.6
211.11140	2.5
215.10718	2.2
215.14314	9.1
217.12213	4.4
219.13763	6.9
223.13026	2.0
225.12770	6.1
229.12238	7.0
233.05659	2.0
233.15395	9.6
235.13179	1.8
236.08339	1.9
243.13831	14.5
243.17401	2.0
244.22687	2.9
245.11674	1.8
245.15312	3.3
245.23003	18.3
247.13252	10.6
253.12158	2.0
261.14844	48.4
262.15021	2.6
264.07767	4.1
269.13794	3.3
271.13306	7.4
271.16684	1.9
279.16049	2.2
289.14331	100.0
289.17831	6.4
289.25064	3.1
290.14612	6.2
292.07312	2.3
307.09576	7.3
307.15442	37.8
307.19125	5.4
307.22949	3.4
307.26630	63.9
308.15872	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1284
Annotation	Brachystemidine B
Peak:m/z	Relative Intensity
51.02394	0.3
55.01867	1.8
57.01016	0.4
67.05483	0.6
69.07047	0.7
70.06586	0.6
71.04980	0.5
76.02202	0.9
79.05484	0.7
81.07041	1.0
84.04485	0.8
84.10480	0.4
85.02895	0.4
91.05450	0.6
93.07026	0.4
94.06544	0.6
95.08624	0.5
96.04484	0.5
98.06031	0.9
105.07060	0.7
106.06491	0.4
107.08556	0.9
107.61817	0.4
108.04474	0.9
112.07593	0.5
117.06991	0.7
119.08585	0.5
120.04431	0.6
122.06030	1.9
123.04425	0.6
124.07584	0.8
132.08121	0.6
134.06010	0.6
135.08081	2.4
136.07556	1.4
138.05428	0.5
140.07098	1.9
143.08554	0.5
146.05992	0.7
146.09622	0.7
148.03986	0.5
148.07558	0.5
150.09097	0.6
155.08487	0.7
156.08061	1.0
157.06477	0.4
158.09679	0.5
159.07990	0.6
159.09169	0.5
160.07574	2.2
163.08633	1.3
168.06575	2.3
170.09639	0.8
172.07518	0.5
173.07269	0.5
173.10744	0.6
174.09119	3.5
176.07120	0.6
177.06558	0.7
177.10231	1.7
178.08620	18.4
182.08163	0.7
183.06648	0.4
184.06146	0.5
184.07576	2.1
184.08984	0.4
185.08293	0.5
186.07817	0.6
187.08669	1.5
188.07056	3.9
189.01830	0.8
190.08580	0.7
191.08131	1.0
196.09741	0.5
198.09106	2.0
200.10735	0.4
201.06587	1.0
201.10217	3.8
202.08612	6.6
204.10237	0.8
205.09708	4.5
206.08174	2.6
207.02859	0.5
211.08647	0.4
212.07068	1.4
215.08109	0.5
215.11877	0.5
216.10289	2.7
217.09679	0.5
219.07637	1.3
219.11256	6.1
220.09720	2.1
225.10197	1.0
226.08609	2.4
229.09746	5.0
229.11948	0.8
230.08122	3.8
243.11340	1.8
244.09676	4.1
247.10791	12.2
247.13309	0.5
248.09167	1.0
253.09698	0.5
254.07951	1.1
261.12381	1.2
262.10727	2.1
265.11795	14.8
271.10745	1.6
272.09174	2.2
289.11783	16.3
290.10193	0.7
307.05911	3.1
307.12857	100.0
308.13318	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0995
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09801	0.4
52.72305	0.4
71.73436	0.5
101.00857	0.7
107.25794	0.4
119.01893	1.7
128.00165	0.5
131.01869	0.5
140.62155	0.5
161.02965	1.5
163.04639	0.5
173.02879	0.6
184.49280	0.4
217.05466	0.7
221.05060	0.6
307.09964	100.0
308.10397	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1146
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	0.6
55.05495	0.6
56.96550	1.1
57.03420	1.0
58.99594	0.4
59.28285	0.4
60.05632	0.5
61.02916	0.4
63.17900	0.4
67.05490	3.3
69.03418	1.3
69.07053	1.1
70.06590	1.9
70.95841	0.5
71.01340	1.3
71.04963	0.5
71.10598	0.4
71.10930	0.8
72.08140	1.1
72.93777	0.6
73.02905	0.7
76.02218	2.9
79.05459	1.4
81.03417	0.9
81.07050	5.4
83.04961	0.5
84.04491	1.8
84.08131	3.1
85.02886	2.0
86.09690	0.4
90.94798	0.5
91.05465	1.5
93.07029	0.8
94.04048	0.6
95.04978	0.5
95.08588	3.4
97.02885	1.0
98.09747	0.4
98.97588	0.7
98.98422	0.5
99.04398	0.6
105.07018	1.1
107.05006	0.6
107.08575	1.2
108.04428	0.5
109.05080	0.4
109.06516	0.6
109.10132	1.7
115.63808	0.4
116.01615	0.7
116.98589	0.8
117.07011	0.6
119.03519	0.8
119.08565	1.0
121.01660	0.7
121.10088	0.5
123.04401	0.5
123.11660	1.0
124.07494	0.4
129.10214	0.6
130.04973	0.6
131.08546	1.5
132.95879	0.9
133.05048	0.6
133.10100	0.5
134.99689	0.6
135.06656	0.7
135.11685	0.5
136.06169	100.0
137.04588	1.0
137.05688	0.4
137.06670	0.5
137.09596	0.6
142.35384	0.4
143.08501	0.9
144.95793	0.7
145.04980	0.6
145.10136	1.2
148.06139	1.7
150.07765	0.6
150.96898	1.3
151.06117	0.5
155.08537	0.5
157.06444	0.5
157.10127	1.1
158.06007	0.8
158.97348	1.4
159.11732	1.0
160.06171	2.7
160.07578	1.2
161.05937	0.7
162.02174	1.0
162.96796	0.7
163.00591	0.9
163.02635	1.0
164.05659	0.6
168.09315	1.0
172.06059	0.5
173.05925	0.5
173.13223	0.7
174.96872	0.5
175.02274	2.2
175.07283	10.3
175.08624	0.4
176.98448	0.6
177.08795	2.6
179.04817	1.4
183.11670	1.6
186.96815	0.8
187.11089	0.7
188.07050	0.4
189.05301	0.5
189.09087	0.7
195.87820	0.5
199.08693	0.6
201.12730	2.0
202.07257	0.5
205.01582	1.0
216.97911	0.5
217.09784	1.1
229.12219	3.7
234.99046	2.0
243.06818	0.5
247.13283	2.4
258.00656	0.6
261.22049	0.4
289.11771	1.0
307.04407	1.1
307.06757	0.7
307.11276	9.3
307.26328	1.0
329.15390	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0997
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96558	0.7
61.02922	0.6
70.06600	0.6
70.07078	2.9
72.93765	0.8
80.18399	0.7
85.02917	0.7
90.94827	0.7
98.09692	4.5
98.21075	1.6
98.97578	0.8
99.10023	4.0
100.32105	0.5
101.00877	0.7
109.43065	0.6
110.69684	0.6
112.22190	0.5
116.98611	0.6
119.01929	5.0
120.40578	0.5
131.01868	0.9
132.95833	1.5
133.03494	1.0
143.01904	1.0
144.10216	2.4
145.10522	1.4
150.96913	0.9
155.01984	0.9
158.97450	1.0
161.02933	1.8
162.96902	0.6
173.02945	1.5
174.96864	2.7
176.98529	0.6
186.96867	0.8
198.96941	1.1
205.01997	0.8
215.00397	1.1
216.97919	1.2
232.22495	0.6
234.99051	0.7
241.05385	0.6
247.03084	1.6
271.21039	0.5
277.00250	0.6
307.10049	100.0
307.15863	6.5
308.10272	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0786
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52436	1.9
63.01552	1.9
66.10320	2.1
70.37695	6.1
70.38091	3.0
75.57598	1.8
85.54731	1.7
85.78932	1.9
98.09688	8.9
98.21413	2.1
99.10027	5.8
99.86256	2.1
101.00908	4.0
119.01894	12.4
131.01869	3.4
137.02899	2.5
143.01888	7.0
144.10239	2.1
145.10541	3.3
155.01935	2.9
161.02948	15.1
173.02997	6.2
174.03857	2.3
175.02280	2.3
188.55817	1.8
205.02075	2.6
221.05031	2.4
239.06018	2.4
265.07867	2.6
306.13919	2.1
307.10193	100.0
307.15799	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	307.096
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52307	0.5
55.01865	6.4
55.05498	1.7
67.05488	1.4
69.03413	0.5
69.07055	0.6
70.06596	0.9
70.29327	2.0
79.05465	1.4
81.07034	1.8
84.08144	1.0
91.05457	2.2
91.38691	0.5
93.07037	1.4
95.04954	1.2
95.08610	1.3
95.30467	0.5
97.06524	0.7
98.98454	0.7
100.11219	0.6
102.19041	0.5
103.05459	2.5
105.07020	1.8
107.04934	1.7
107.08562	1.0
109.06512	1.4
115.05431	0.7
117.06989	0.9
119.04896	0.6
119.08584	1.6
120.44291	0.5
121.06496	1.9
123.08058	1.1
128.06232	0.6
129.06969	0.7
131.04910	3.9
131.08562	1.5
133.10092	1.1
133.18480	0.5
135.11674	0.6
137.05942	0.9
137.09575	0.6
142.07793	0.5
143.08548	1.5
145.06493	0.7
147.04425	0.7
152.06158	1.2
153.06923	0.7
155.04968	0.6
155.08548	0.6
159.07997	1.1
159.11667	0.8
160.11127	0.6
165.06992	8.0
167.08479	0.7
168.09331	0.7
171.04439	0.6
171.07999	0.5
173.13257	0.8
176.06293	0.7
177.05540	0.6
177.06973	0.8
178.07739	3.4
179.08577	4.2
180.09306	1.8
181.06461	1.8
183.11681	1.0
185.33730	0.7
187.07562	0.8
187.11084	0.8
189.06967	12.9
189.08746	0.4
190.07767	14.9
191.08540	18.4
192.09056	0.6
193.06525	2.8
194.07294	2.4
195.08034	0.8
200.06212	1.4
201.06949	1.7
201.12724	1.8
202.07761	5.5
203.08476	2.9
205.06459	6.0
206.07211	1.5
207.08040	9.7
208.08795	6.7
209.09462	0.6
210.06699	0.7
215.08572	1.3
217.06551	1.4
218.05670	0.3
218.07242	19.5
219.08026	30.1
220.08733	4.3
221.05975	8.2
221.09392	1.1
222.06659	1.9
223.07547	0.8
224.08238	0.8
229.06303	3.2
229.12271	3.4
230.07063	0.9
231.07996	3.9
233.05977	1.7
233.09575	2.1
234.06729	3.2
235.07507	11.2
236.08267	11.0
237.05470	1.5
237.08966	1.4
245.06032	1.9
246.06763	9.5
247.07518	39.6
247.13242	1.9
248.08281	5.2
249.05458	4.8
249.09047	1.8
250.06320	2.6
250.09753	1.5
251.07021	1.7
251.10661	4.5
253.08504	0.8
257.06000	1.5
258.06808	1.3
259.07437	4.4
260.08301	0.6
261.09073	8.7
262.06122	0.7
262.09683	1.0
263.07016	11.7
264.07788	22.9
264.39127	0.5
265.08582	3.4
274.06189	16.6
274.09076	1.1
275.07001	18.4
276.07813	4.1
277.04874	1.1
277.08450	0.9
278.09375	1.8
279.10132	16.3
280.10501	0.8
289.08572	18.0
289.17706	1.0
290.09100	1.3
291.06476	1.4
292.07230	7.0
307.09619	100.0
308.10068	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	307.07
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23403	1.5
53.11615	1.5
56.96303	1.9
56.96558	24.8
61.33233	1.4
67.37823	1.5
69.03390	2.1
70.06611	2.1
70.10378	7.6
70.10775	2.9
76.02214	1.8
84.04477	1.8
84.08148	3.9
84.96017	7.3
85.02888	5.1
97.02892	2.2
98.09682	15.8
98.20725	1.7
98.97572	79.3
99.10007	15.6
101.00871	1.5
110.97539	15.8
112.99136	2.0
115.02383	1.7
116.98616	34.7
119.01882	5.8
128.98587	20.2
131.00188	2.4
132.08403	2.1
133.03418	2.1
134.99658	11.1
137.66081	1.5
140.00165	2.4
140.98608	3.6
143.00189	9.2
144.10161	5.5
144.98088	2.9
145.10489	5.9
146.99631	10.0
152.98599	9.8
158.99625	11.7
161.01201	8.6
161.02936	2.9
162.99152	3.7
165.00716	2.7
170.99637	11.9
173.01219	2.4
177.00755	8.9
189.00761	7.0
205.01749	2.0
219.01707	18.3
221.05132	1.5
234.98993	2.9
237.02806	36.3
242.03194	1.9
247.02774	1.6
247.04866	8.9
265.05927	100.0
283.07013	26.9
288.07504	4.9
307.07010	56.3
307.12610	2.4
307.15802	22.6
325.07834	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.9016
Annotation	Unknow
Peak:m/z	Relative Intensity
59.76770	0.4
69.88233	2.2
70.06594	0.7
71.55401	0.4
72.75577	0.5
78.95602	0.4
84.58002	0.4
91.53766	0.4
94.93005	16.5
98.20565	0.4
109.91649	0.4
112.89589	1.0
128.98570	0.4
142.07303	0.5
174.52882	0.4
202.89082	100.0
203.89430	1.1
216.90712	3.3
218.92213	3.7
232.92232	1.1
244.90230	2.8
246.88142	2.4
248.89500	0.6
283.41675	0.5
306.90106	2.3
307.09915	0.4
307.16052	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0506
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69289	1.3
55.01868	1.8
55.05502	1.5
56.05020	2.0
56.96562	9.0
57.03428	5.4
57.20671	1.3
58.99584	3.3
58.99844	2.0
61.02913	15.9
67.05493	8.0
69.03416	9.0
69.03733	1.3
70.06587	2.1
71.73599	1.9
72.08151	3.4
72.82254	1.3
73.02905	4.1
76.02220	13.0
76.03977	2.3
77.00896	2.4
79.05492	2.8
81.07040	10.8
82.99853	1.7
84.04487	17.9
84.08125	2.8
85.02888	13.8
86.99100	1.7
87.00823	3.0
87.87220	1.4
91.05423	1.8
91.78167	1.3
93.07069	2.5
95.01321	7.1
95.04972	1.6
95.08613	8.0
97.02895	4.4
98.09669	8.7
98.97577	4.0
99.04462	2.1
99.09998	7.4
101.00883	17.3
105.07021	1.6
107.08599	2.3
109.06523	1.9
109.10169	3.8
113.02367	4.3
115.02426	10.8
116.01645	3.5
116.98621	2.6
119.01901	100.0
119.08596	2.2
120.02021	4.6
121.01684	2.8
121.10190	1.6
123.11647	1.5
127.02450	1.4
127.03957	5.5
128.98666	1.9
129.01822	1.9
129.04005	1.7
130.05023	4.6
131.01901	8.2
131.03435	1.9
131.08549	3.4
132.95854	4.7
133.03452	21.6
133.04332	2.0
133.10085	1.7
134.99670	2.3
135.01277	1.9
137.02930	29.6
139.02486	1.6
141.01822	6.0
142.03471	5.8
143.01860	12.0
143.08653	2.5
144.10240	2.2
144.95879	1.4
144.99820	3.6
145.03479	5.0
145.04930	1.7
145.10495	4.0
146.99713	2.6
147.01527	1.9
147.03127	2.0
147.05022	4.6
149.01245	1.7
149.02985	3.1
150.96954	3.3
151.04572	3.6
155.01842	7.0
157.03474	4.1
157.10117	1.6
159.01364	3.0
159.11656	2.2
160.00218	1.7
160.04437	3.1
161.01508	2.5
161.02940	25.9
162.02176	4.2
163.02716	1.6
163.04518	4.3
168.99774	7.6
171.01442	2.0
172.99342	1.9
173.02957	11.8
173.13351	1.8
174.96936	4.4
175.02689	2.7
175.04594	5.1
177.00941	3.0
177.02322	12.0
179.04926	6.7
183.11719	1.5
184.04550	3.4
185.02998	2.9
186.07684	4.6
186.96919	2.2
186.99213	2.5
187.00847	25.6
187.02489	2.2
187.11182	1.7
189.02470	2.9
190.02287	2.5
191.04065	5.2
193.03551	1.5
196.04655	1.4
196.99443	5.0
197.02968	2.2
201.02515	2.9
201.12776	3.3
203.04153	3.9
205.01904	13.9
205.03587	1.7
205.05666	2.1
205.64154	1.5
207.51591	1.4
211.02483	1.7
215.00357	28.6
217.02065	2.8
219.03543	9.0
221.05052	3.2
229.01938	11.2
229.12273	5.6
230.01883	2.1
233.01443	3.1
233.05650	1.7
243.08148	2.8
245.04979	2.2
247.02965	47.0
247.13377	2.6
248.03189	2.7
263.06281	2.1
265.04120	10.7
265.07559	1.8
265.14221	1.4
270.04633	5.9
271.13422	1.9
277.00153	1.4
277.07632	2.8
289.04111	6.5
289.14609	2.0
307.04486	2.7
307.10037	97.1
307.15894	8.3
307.26147	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.2787
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.4
55.01850	0.8
55.05507	7.4
56.05011	0.4
57.07052	0.8
58.06570	0.2
65.03934	0.5
67.05498	10.2
67.20468	0.2
69.07063	8.3
69.52923	1.0
69.53352	0.7
71.08599	0.3
72.04521	0.2
73.24574	0.2
79.05484	2.5
81.07051	8.6
82.06565	0.4
83.05003	0.3
83.08609	2.8
85.05277	2.3
85.73134	0.2
86.06062	1.0
91.05470	0.9
93.07045	1.7
95.04942	0.3
95.07997	0.4
95.08595	5.5
96.08122	0.4
96.08913	0.2
97.06517	0.2
97.10148	0.7
98.06043	15.6
98.09668	0.3
99.06332	0.4
100.07570	0.2
100.95122	0.2
103.24008	0.2
105.07010	0.7
107.08567	1.0
108.08138	0.2
109.10146	1.6
110.09667	0.6
111.04385	0.2
111.08055	0.2
112.07600	1.9
119.08557	0.5
121.10099	0.4
123.11703	0.5
124.07560	0.3
125.08354	0.3
126.09132	0.8
133.10124	0.5
134.09641	0.3
137.05913	0.4
138.09122	0.6
140.10667	0.8
147.11678	0.2
152.10701	0.4
154.12202	0.7
166.12285	0.4
168.13828	0.6
176.83014	0.2
180.13905	0.3
181.15063	0.2
182.15366	0.4
187.14917	0.2
194.15381	0.4
196.16946	0.8
208.16975	1.1
210.18430	0.3
222.18524	0.6
224.20146	0.3
236.20038	0.5
278.03400	0.2
306.27878	100.0
307.28220	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	306.206
Annotation	Unknow
Peak:m/z	Relative Intensity
56.14405	0.3
59.38118	0.3
59.98800	0.3
68.01646	0.4
69.07056	1.3
70.91251	1.0
75.40055	0.3
79.05481	0.6
81.07033	0.9
91.05488	0.5
93.07003	0.6
94.04171	2.3
95.08578	0.6
107.08573	0.7
109.10139	0.4
114.09165	0.7
122.03644	6.1
133.10127	0.7
135.11676	1.2
137.05965	100.0
138.06258	0.8
153.12738	1.0
170.15445	2.0
172.00943	0.4
182.15382	1.8
236.64362	0.4
277.62494	0.4
306.20456	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.2786
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	1.0
53.06967	0.2
55.01853	1.0
55.05507	10.0
57.03423	0.5
57.07059	1.0
59.04985	0.5
59.70131	0.3
65.03915	1.0
67.05497	15.0
69.03410	0.8
69.07058	9.9
70.02966	0.4
70.20028	1.1
71.04617	0.3
71.04985	4.0
72.04499	0.5
79.05489	6.3
79.72404	0.3
81.03401	0.5
81.07047	14.0
82.06578	0.4
83.04967	0.4
83.08248	0.3
83.08614	2.8
85.05276	2.3
85.06525	0.8
86.06049	1.2
90.00083	0.3
91.05471	3.8
93.07027	4.9
95.04958	1.2
95.08002	0.5
95.08592	8.4
96.08117	0.3
97.06521	1.7
97.10183	1.3
98.06042	15.4
98.09669	0.3
98.21382	0.3
99.04435	0.7
99.08090	0.8
105.07023	4.2
107.08562	3.1
109.06486	2.1
109.10146	2.4
110.07295	0.3
110.09674	0.8
111.04430	15.9
111.08048	0.9
111.11728	0.3
112.07568	2.1
117.06991	1.0
119.08555	2.7
121.06480	0.7
121.10137	2.3
123.08048	1.5
123.11694	0.7
124.11222	0.3
125.05964	1.3
125.09583	0.6
126.09119	0.5
129.06964	0.4
131.08548	1.5
133.10136	2.1
134.09656	0.3
135.11649	0.7
137.05919	0.4
137.09610	1.4
138.09134	0.4
139.10954	0.3
140.10713	0.9
143.08626	0.3
145.10136	1.7
147.11684	1.5
149.09567	0.9
149.13275	0.7
151.11185	0.6
152.10789	0.3
154.12228	0.8
155.08476	0.4
159.11707	1.0
161.09566	0.3
161.13240	0.8
165.12717	0.4
168.13811	0.9
169.10042	0.3
171.11674	1.0
173.13182	0.5
181.07129	0.3
182.15431	0.4
187.14810	0.5
196.16985	0.5
208.16917	1.1
210.18347	0.3
222.18529	0.6
229.19630	0.5
236.20078	0.7
239.17865	0.4
247.20616	0.3
248.56993	0.3
257.18936	0.7
275.20001	3.7
279.23090	0.8
289.21417	0.6
306.27872	100.0
307.22656	10.3
307.28119	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	306.1632
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18055	0.6
55.05529	0.7
55.13055	0.6
57.07069	100.0
58.07404	1.2
59.99105	11.7
67.05503	0.8
69.07046	1.4
71.65333	1.2
72.50304	0.6
79.05502	1.8
81.07024	1.4
85.07676	1.4
86.06056	15.1
98.06021	0.7
102.03781	3.2
102.99654	1.0
106.06545	62.5
116.05304	43.0
119.08574	0.9
128.28961	0.6
129.93689	0.6
137.05949	5.9
141.13866	1.2
145.04283	10.7
145.05403	0.7
201.10544	57.4
202.10904	1.5
208.05388	4.3
235.44023	0.6
250.10110	3.3
266.49493	0.5
306.16342	5.2
306.27893	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	306.1183
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.7
55.05495	0.5
56.05021	1.3
57.07073	3.4
58.48701	0.4
60.04509	1.1
65.03905	0.6
67.05500	5.7
69.03414	1.6
69.07066	4.4
69.32507	0.5
70.02946	8.3
70.06587	5.8
71.34258	1.0
72.04501	2.1
72.08151	2.8
73.02908	9.0
74.02430	1.6
74.06067	3.4
76.03997	0.5
77.03908	0.5
81.07040	0.9
84.04482	1.4
84.08118	2.7
85.02898	0.5
85.06535	5.5
86.09224	0.6
86.09693	4.3
87.08087	1.2
90.05538	3.2
91.05464	0.6
94.58920	0.5
95.04962	7.7
96.08124	2.7
97.02885	6.3
98.02412	17.0
100.03979	6.7
103.07541	1.2
108.73620	0.5
110.07155	3.9
113.06001	5.1
113.93987	0.5
115.03906	1.2
116.02715	0.8
116.03458	10.9
118.06566	0.5
124.07584	16.8
128.03387	0.5
128.04909	0.7
129.10226	1.2
130.06583	1.2
130.08632	1.4
132.08022	0.6
136.06235	0.6
137.05933	1.1
142.08629	20.6
144.08054	1.4
146.05995	25.5
147.04449	2.5
154.69089	0.5
154.82913	0.5
155.08568	0.5
156.10220	0.6
158.06004	0.5
159.09207	1.0
166.08611	1.7
170.06029	1.0
172.07552	0.6
174.05457	2.9
175.08601	0.6
184.09644	10.4
188.07056	5.2
197.13152	0.5
200.07086	0.7
202.10727	100.0
203.11029	1.7
204.10181	0.8
205.09720	2.8
207.84024	0.5
209.13934	0.7
220.11800	0.6
242.08112	0.7
260.09134	0.8
286.42352	0.6
305.01321	0.6
306.09760	6.6
306.13452	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01846	0.3
55.05518	0.4
56.05025	0.5
56.96559	6.4
57.03420	0.7
57.22513	0.3
60.04501	0.3
61.01143	0.8
61.02923	0.7
67.05500	0.6
69.03423	3.1
69.99480	1.6
70.06586	6.1
70.98121	0.3
71.04986	0.6
72.08151	1.0
72.85643	0.3
73.02917	1.2
74.06073	2.9
79.05512	0.3
81.03418	1.5
82.06605	0.3
84.04504	0.6
84.08136	4.7
84.96021	1.5
85.02901	7.9
85.06542	0.3
86.09705	0.6
87.04459	0.5
89.02396	0.3
96.08125	1.2
97.02891	2.0
98.06059	1.0
98.09686	100.0
98.97575	15.6
99.04440	0.6
99.10004	1.4
101.00874	0.8
101.02403	0.3
102.05539	0.6
109.02858	0.6
110.97562	2.9
112.05087	0.3
114.09164	0.6
116.07079	1.1
116.98616	7.4
119.01915	2.1
120.01999	0.6
120.06564	0.7
124.99095	0.4
126.05472	0.5
127.03931	0.9
128.07086	0.4
128.98582	3.8
131.00165	0.9
131.01921	0.9
132.08435	5.6
133.03458	0.5
134.99640	2.4
137.02959	0.5
140.00250	0.4
140.98605	0.7
142.08630	1.5
143.00116	1.6
143.01895	0.4
144.06558	1.4
144.10184	44.8
144.98112	0.7
145.01697	0.3
145.03450	0.8
145.04956	0.3
145.10532	0.9
145.30203	0.3
146.99629	2.8
149.01219	0.6
152.98627	1.8
155.01865	0.4
157.03526	0.5
158.99619	1.9
161.01181	1.9
161.02991	0.6
162.99133	0.7
163.02690	0.3
165.00739	0.7
167.07069	0.4
168.99834	0.3
170.03227	0.3
170.99641	2.4
171.00902	0.4
173.01195	0.4
173.02934	0.6
174.03123	0.4
174.99077	0.3
175.04562	0.5
177.00694	2.0
178.11827	0.3
183.30269	0.3
187.00909	0.4
187.02754	0.3
188.97102	0.4
189.00731	1.5
193.00148	0.3
196.54752	0.3
201.00642	0.4
201.12498	0.3
203.07556	0.5
204.07811	0.5
215.00288	0.4
216.07739	0.4
219.01735	4.1
219.05200	0.6
221.05070	0.7
222.05266	0.5
234.98950	0.4
237.02803	7.2
242.03181	0.3
242.14012	0.4
246.05264	0.3
246.17334	0.3
247.02769	0.4
247.04883	1.0
252.12349	1.1
255.03889	0.8
265.05917	16.6
270.13342	2.7
283.06992	3.6
288.07593	0.9
288.11038	0.5
288.14359	3.3
306.15442	56.8
307.07022	9.7
307.15686	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.1181
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.8
55.05495	1.2
56.05030	5.9
56.96565	1.8
57.03431	2.8
57.07079	2.7
57.85054	1.1
58.06598	1.7
60.04525	1.3
67.05498	5.6
68.05018	1.6
69.03413	5.1
69.07059	3.4
70.02946	8.9
70.06583	17.4
71.05000	1.5
71.74722	1.4
72.04510	1.2
72.08134	2.6
73.02927	8.7
74.06073	25.7
81.03403	2.5
84.04498	7.0
84.08128	6.2
85.02895	10.5
85.04019	4.3
85.06536	4.1
86.09706	6.9
90.05563	2.4
91.05475	1.8
93.07024	1.4
95.04956	8.2
96.08162	2.7
97.02898	5.3
98.00649	1.6
98.02408	12.9
99.02692	2.5
100.03996	6.0
105.07027	2.2
110.07153	4.4
112.07588	1.3
112.08705	1.4
113.05986	4.8
116.03464	10.5
118.06516	6.6
119.85628	1.2
120.08102	2.3
124.07588	16.0
126.03722	15.6
129.06583	2.4
129.10226	2.9
130.06520	8.7
132.08078	4.7
133.06360	1.2
136.06204	2.5
136.07669	1.3
137.05946	4.4
139.03870	2.8
142.08611	15.9
144.04770	58.0
144.08084	8.3
144.10243	1.5
145.05022	2.5
146.05992	37.7
146.07167	1.9
146.15878	1.1
147.04367	1.9
158.06035	1.6
159.09198	4.1
170.06009	2.6
174.05458	2.2
184.09657	11.8
186.05818	2.5
188.07045	46.8
202.10724	100.0
203.11029	2.2
204.10155	1.7
205.09697	26.7
245.09200	3.1
260.13953	4.4
288.13589	1.7
306.10266	10.5
306.14136	11.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.1002
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	0.4
55.01852	0.4
55.05487	0.4
56.96541	0.4
57.03419	1.6
58.99584	0.7
61.02932	2.0
63.50177	0.4
65.03613	0.4
65.03931	3.4
68.05021	2.3
69.03421	5.8
70.06580	0.6
71.01321	0.3
71.04975	0.5
71.07053	0.4
71.07368	0.7
73.02900	1.7
81.03417	1.9
84.04487	0.8
84.08125	2.1
85.01117	2.5
85.02380	0.7
85.02897	14.0
87.04452	1.6
91.03933	0.4
97.01107	0.4
97.02883	3.3
98.00636	2.5
99.02675	4.5
99.04438	1.3
101.02367	0.5
103.03915	0.7
109.02868	1.2
112.02246	0.4
113.02953	3.3
114.03758	0.6
115.03872	0.3
126.03725	29.6
127.03860	2.5
127.04542	2.5
132.95851	0.8
133.01743	0.4
144.04767	100.0
145.05003	3.0
150.96872	0.6
174.96896	0.7
180.65955	0.4
186.05891	2.5
215.14044	0.5
236.40181	0.3
243.17032	1.3
283.07141	0.4
288.08719	0.3
304.16141	0.3
306.10004	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	306.0969
Annotation	Ascorbigen A
Peak:m/z	Relative Intensity
50.21964	0.6
50.25128	0.6
55.01855	1.9
55.05502	1.3
56.05024	1.5
60.04530	1.3
67.05502	0.7
69.03421	8.7
69.07071	1.3
70.02956	1.3
70.06580	7.6
71.74326	0.9
72.08134	3.0
73.02894	1.0
74.06055	1.9
83.06090	0.7
84.04494	2.0
84.08136	5.2
85.02898	3.4
86.09702	5.4
91.05438	0.9
97.02883	31.4
110.07166	4.3
114.05526	0.7
115.03927	6.3
116.58844	0.6
118.06515	0.9
120.08084	1.6
127.05832	0.7
128.04956	2.9
129.10207	1.1
130.06506	5.2
132.04451	2.2
132.08121	1.0
134.06047	0.9
136.06189	1.7
137.05980	2.3
144.08070	2.2
145.05226	0.9
146.05992	100.0
147.06303	2.5
147.11316	0.7
147.49556	0.6
156.07834	1.1
157.07596	2.1
158.06009	2.7
160.07498	0.7
170.05952	3.1
172.07538	4.3
174.05501	15.8
175.11873	0.9
177.03279	0.8
182.06180	0.9
184.07588	1.5
185.08128	0.6
186.05444	1.0
188.07092	2.6
192.06525	6.6
196.07500	1.0
200.07008	3.4
202.04951	1.8
202.10683	1.9
205.09756	1.2
208.43526	0.7
212.07076	1.9
216.06544	6.5
216.10214	0.7
218.08255	0.7
220.06018	1.7
224.07120	1.3
228.06607	1.1
242.08125	2.2
246.07591	0.9
258.07663	0.9
258.47333	0.7
260.09180	1.9
261.08817	0.9
270.07736	1.4
288.08621	1.4
306.09708	34.9
307.09808	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.2473
Annotation	14,15-Dihydro-16-helicallenoic acid
Peak:m/z	Relative Intensity
50.93244	1.9
53.03953	4.3
55.01855	1.9
55.05508	33.9
57.03424	2.3
57.07059	11.6
59.04994	9.5
67.05505	30.0
69.03425	7.2
69.07059	35.2
69.77303	14.5
70.06587	10.7
71.04992	13.5
71.08617	2.8
72.08155	4.2
79.05496	29.5
81.03452	3.1
81.07050	95.9
83.04964	6.2
83.08608	14.4
84.08128	3.6
85.06540	6.4
88.07630	2.7
91.05481	24.1
93.07039	87.9
93.97909	2.1
95.04970	12.3
95.08597	75.6
97.06538	13.7
97.07088	2.4
97.10155	15.7
99.08106	5.4
100.38004	2.0
105.07027	42.7
107.08586	100.0
109.06516	8.7
109.10153	49.0
111.08090	5.4
115.07539	2.3
117.06986	5.9
119.08572	44.3
121.10138	62.9
123.08067	8.0
123.11687	22.9
125.09625	18.5
127.11184	9.4
127.12045	2.4
129.07016	3.9
131.08578	9.5
131.50026	2.2
132.10237	2.7
133.10104	27.3
135.08096	3.9
135.11688	32.4
137.09613	8.7
137.13264	11.1
139.11179	5.7
141.12819	2.4
143.08572	4.3
143.10670	8.3
145.10106	17.5
146.11772	3.1
147.11673	36.7
149.09665	4.0
149.13249	82.8
151.11172	6.9
155.10641	2.5
157.10112	7.9
159.11678	19.5
161.13235	21.1
163.11145	5.2
163.14828	14.7
165.12747	5.3
171.11655	6.7
173.13249	12.4
175.11211	3.0
175.14824	7.7
177.12709	3.0
177.16367	5.9
179.14352	2.9
185.13283	3.6
187.14914	5.3
189.12733	2.4
189.16354	13.3
191.14330	2.6
191.17926	2.8
193.15977	3.3
199.14865	4.8
200.20088	6.4
201.16380	19.0
203.18045	10.6
213.16412	4.4
215.17993	5.3
217.19513	3.3
227.17975	3.8
229.19432	5.7
244.22697	11.1
269.22687	10.4
287.23737	21.1
305.14014	8.4
305.17606	3.8
305.24817	56.1
306.20819	2.3
306.26419	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	305.2473
Annotation	13-Oxogeranyllinalol
Peak:m/z	Relative Intensity
53.03934	2.1
53.21183	1.5
55.01860	3.1
55.05244	1.9
55.05505	37.0
57.07066	6.9
59.04982	4.5
59.90092	1.2
64.04138	1.4
65.03938	2.4
65.73802	1.2
66.85495	1.4
67.05499	33.2
69.03405	4.1
69.06694	2.3
69.07061	37.0
70.06585	1.6
71.04976	5.2
71.07150	3.6
72.08119	1.4
73.06555	2.3
77.09059	1.5
79.05486	29.3
81.03433	2.0
81.07047	95.5
83.04960	6.2
83.08614	13.0
83.11947	1.4
85.06535	4.1
91.05469	22.8
93.07035	86.8
94.07374	2.5
95.04961	10.7
95.08598	68.5
97.06529	8.7
97.10155	20.9
99.04457	2.1
99.08089	2.6
101.09623	3.6
105.07014	35.8
107.08585	100.0
109.06521	6.6
109.10149	42.7
110.10507	1.7
111.08115	7.2
111.11710	4.3
112.11172	1.5
117.07010	3.9
118.80692	1.4
119.08567	36.0
121.06536	2.9
121.10133	57.8
123.08065	3.7
123.11697	21.8
125.09656	9.6
127.03941	2.9
127.07578	1.6
127.11179	4.0
129.06976	2.1
131.08549	5.7
131.45389	1.3
133.10107	20.0
135.08092	2.5
135.11685	42.9
136.11977	1.5
137.05980	1.5
137.09564	2.4
137.13223	5.8
139.11186	4.4
142.07843	1.6
143.08656	3.0
143.10634	3.1
145.10094	12.8
147.11674	26.4
149.09602	3.1
149.13243	91.4
149.53761	1.3
150.13560	1.9
151.11203	6.8
152.89685	1.4
153.12747	3.9
155.10715	1.5
157.10132	4.5
159.11674	9.7
161.13263	12.7
163.11160	4.8
163.14810	14.9
165.12706	4.6
167.14362	1.6
169.12086	1.3
171.11693	3.0
173.13251	6.3
175.14818	8.9
177.12819	3.1
177.16376	6.1
179.14229	2.1
187.14749	2.4
189.16341	8.9
191.14272	2.0
191.17958	3.0
193.15791	3.3
195.13789	2.5
199.14842	1.7
201.16356	6.5
203.17984	4.1
205.15845	2.8
207.17366	1.9
209.15390	3.8
213.16385	3.7
219.17351	2.3
223.16856	2.7
227.18047	2.0
232.00648	1.6
235.16780	2.2
249.18529	3.9
259.24249	2.1
269.22626	7.0
277.25122	2.1
287.23654	10.3
305.17581	3.4
305.21225	2.9
305.24728	56.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.2472
Annotation	8Z,11Z,14Z,17Z-eicosatetraenoic acid
Peak:m/z	Relative Intensity
53.03946	5.9
55.05504	38.7
57.07074	5.5
67.03510	3.8
67.05502	35.0
69.07065	42.7
69.84186	26.0
70.06576	9.4
71.04973	5.5
74.59990	3.6
79.05488	30.5
81.07049	93.7
83.04964	8.2
83.08607	12.4
84.08149	5.0
85.06516	3.8
91.05465	27.8
91.49139	3.9
92.30897	3.7
93.07037	100.0
95.04949	10.6
95.08593	82.7
97.06505	7.9
97.10158	16.0
98.97581	13.4
100.11253	15.7
105.07025	28.8
107.08585	95.1
109.06502	8.1
109.10150	41.8
110.07166	3.7
111.08048	4.7
111.11756	4.8
116.98614	9.2
117.07008	4.4
119.08586	31.2
121.06519	5.0
121.10138	56.5
123.08063	4.9
123.11703	20.9
125.09608	6.1
129.07018	4.8
131.08607	5.3
133.10130	23.0
134.99660	10.7
135.08067	4.2
135.11676	38.9
137.05994	6.7
139.66798	3.9
145.10114	8.2
147.11682	25.6
149.01198	5.5
149.13239	95.3
151.11203	5.6
156.13811	6.1
159.11687	13.3
161.13255	16.2
163.11212	5.3
163.14781	22.2
173.01170	5.8
173.13275	7.1
175.14812	6.5
176.60007	4.5
177.00722	6.7
182.15419	10.8
189.16342	8.0
191.02211	5.7
201.16444	4.7
210.14819	4.7
223.16899	4.1
259.24246	5.3
269.22675	5.3
277.25446	4.4
287.23740	11.0
305.08078	8.3
305.21518	7.8
305.24707	52.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.2472
Annotation	14,15-Dihydro-16-helicallenoic acid
Peak:m/z	Relative Intensity
51.13779	2.0
53.03930	4.6
55.05510	17.2
67.05185	3.3
67.05502	34.5
68.81609	2.1
69.07067	16.6
69.46886	16.5
69.47302	4.6
79.05489	63.8
81.06607	4.1
81.07051	54.9
83.08614	8.2
89.83041	2.4
91.05464	25.9
93.07037	100.0
95.04966	4.9
95.08591	39.9
97.06498	5.4
97.10152	3.6
99.08085	2.8
101.62640	2.4
105.07033	16.9
107.08589	62.7
109.10140	16.3
117.07009	4.0
119.08562	17.1
121.10134	46.1
123.08073	3.3
123.11675	2.5
124.64531	2.2
131.08594	6.2
133.10130	15.1
135.08038	3.6
135.11679	58.6
143.08549	2.5
145.10098	7.7
147.11676	14.0
149.09572	2.9
149.13245	39.1
151.11197	2.6
154.33850	2.3
157.10103	2.3
159.11742	4.6
161.13269	11.1
163.11165	3.3
163.14803	15.3
171.11705	5.4
173.13205	4.3
175.14775	8.4
177.12764	3.2
177.16313	2.7
185.13281	5.1
189.12637	2.5
191.47588	2.8
199.14784	3.6
203.14148	2.2
213.16467	2.6
217.19525	4.6
217.92831	2.2
231.21004	3.9
241.19551	7.8
259.20593	11.7
305.24704	63.5
306.24896	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	305.2473
Annotation	14,15-Dihydro-16-helicallenoic acid
Peak:m/z	Relative Intensity
53.03941	3.8
55.01858	2.4
55.05509	23.9
57.07058	5.7
58.70267	1.7
67.05502	43.5
69.07058	22.0
69.60291	4.1
69.60706	12.3
71.04980	3.2
72.96128	1.9
79.05489	73.0
81.07052	49.4
81.07539	2.3
81.82004	1.7
83.05000	2.2
83.08612	8.9
91.05470	31.1
93.07037	100.0
95.04957	10.0
95.08601	34.9
97.02972	1.8
97.06521	3.4
97.10166	7.8
99.04445	3.8
105.07021	17.4
107.04944	2.7
107.08585	58.2
109.06500	3.2
109.10148	20.4
112.07619	2.0
117.07018	6.9
119.05030	2.1
119.08562	12.5
121.06527	3.8
121.10139	47.8
123.11754	3.6
125.09633	2.6
129.07031	2.8
131.08557	7.3
133.10133	8.2
135.08076	3.5
135.10635	3.1
135.11678	51.3
135.12639	3.1
137.05994	6.3
143.08458	3.6
145.10129	5.7
147.08031	2.3
147.11607	8.8
149.09586	2.7
149.13235	24.4
157.10214	2.6
159.11635	4.0
161.13261	5.6
163.14862	8.9
173.13298	3.0
177.16333	2.5
186.72330	1.9
259.20575	2.3
263.20020	3.3
273.18546	3.1
287.23633	2.0
305.21103	45.3
305.24750	59.1
306.21338	3.1
306.24786	4.2
306.28018	4.5
322.34866	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.2109
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	9.2
55.01851	6.5
55.05508	52.4
57.03426	6.0
57.07067	5.7
59.04990	10.2
67.05495	65.4
69.03429	12.1
69.07058	39.1
70.06599	10.9
71.74606	6.6
79.05488	68.6
81.07052	99.3
83.04971	10.9
83.08622	15.2
85.06532	7.0
91.05464	99.1
93.07039	91.1
95.04948	20.0
95.08600	51.5
97.06503	6.0
97.10145	15.0
100.36018	5.4
105.07018	86.0
107.04958	13.3
107.08584	54.8
109.06489	19.0
109.10134	18.6
115.05476	11.1
117.07014	47.1
119.04969	6.0
119.08604	46.8
121.06472	14.8
121.10109	31.2
123.08052	8.2
127.26557	5.1
128.06238	11.2
129.07007	23.3
130.07745	14.2
131.08548	82.1
133.06467	14.7
133.10110	29.9
135.08022	6.6
135.11658	14.7
137.05959	100.0
139.11148	11.8
141.06990	10.0
143.08546	70.1
144.09325	6.2
145.10115	77.6
147.08022	16.7
147.11652	13.8
149.09622	11.0
155.08527	7.3
155.40872	5.5
157.10109	19.9
159.11685	24.2
161.09566	11.9
161.13208	5.8
163.11282	6.7
165.99309	5.0
166.17229	4.8
169.10107	12.4
171.11679	19.4
175.11243	12.6
181.10052	9.3
183.11633	8.4
185.13313	6.7
187.11098	6.0
195.11638	13.8
201.12721	6.4
203.14339	8.2
207.11795	6.7
237.16409	14.9
245.18964	7.4
255.17458	12.7
273.18347	32.9
287.16452	7.8
287.19974	10.7
305.17743	7.4
305.21075	17.8
305.24380	9.2
305.31375	46.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.2109
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87126	1.1
53.03934	4.8
55.01871	5.8
55.05510	12.3
57.03425	1.5
59.04977	1.8
59.42068	1.3
65.03922	3.0
67.05152	1.4
67.05499	26.0
69.03424	2.2
69.07060	7.5
69.46825	8.8
69.47238	2.5
69.50603	1.0
71.04999	2.9
78.85596	1.2
79.05026	1.8
79.05488	41.6
81.03400	4.5
81.07049	100.0
83.04974	5.4
83.08607	3.5
85.06523	2.1
91.05472	21.0
93.06496	2.2
93.07037	20.7
95.04955	24.7
95.08599	11.6
97.06517	1.8
97.10167	1.9
103.05404	1.3
104.96630	1.4
105.07019	14.7
107.04958	8.8
107.08575	13.6
109.06509	86.7
109.10154	5.3
111.07980	1.4
115.05427	1.5
117.07005	7.4
119.08559	10.2
121.06542	6.0
121.10133	8.3
123.08051	2.5
123.11696	1.7
125.09645	2.9
129.07005	4.5
131.08568	10.0
133.06520	3.8
133.10120	4.9
135.08057	7.0
135.11687	6.5
137.05942	3.0
137.09602	2.2
143.08533	3.7
145.10110	11.2
147.08061	3.7
147.11652	2.7
149.09601	6.7
149.13249	4.0
157.10103	3.4
159.11694	3.6
161.09608	12.4
161.13168	2.0
163.11174	5.2
171.11623	2.2
171.91075	1.2
173.09641	1.9
175.11145	2.4
185.13278	1.9
187.11186	2.1
191.10696	2.2
217.15892	1.9
221.15335	3.5
245.19124	1.2
273.18491	11.9
305.21097	11.5
305.24759	3.1
306.27869	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1742
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38045	0.2
55.01860	0.5
55.33224	0.2
57.07066	7.9
69.07055	0.6
70.64413	0.7
75.98455	0.2
79.05467	0.6
81.03403	0.4
81.07034	1.0
83.01334	0.2
85.06516	0.7
91.05460	0.6
93.06998	0.4
95.02781	0.2
95.04984	0.3
95.08591	0.2
105.07040	0.3
107.08569	0.4
109.02835	1.2
109.06502	2.4
119.04913	0.3
123.11691	3.1
127.03888	1.4
128.00208	0.2
132.20996	0.2
135.11658	0.4
137.05949	4.6
141.12704	0.7
147.04214	0.2
153.05446	1.8
165.05452	100.0
166.05780	2.3
179.07047	0.5
191.10622	0.3
205.12059	0.3
219.10107	1.1
221.11697	77.8
222.12056	3.0
237.11147	1.6
269.15228	0.3
287.16409	5.3
288.16754	0.3
305.17426	8.7
306.17786	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1856
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34023	0.2
55.05503	0.3
56.05019	0.5
56.93229	0.2
57.03423	0.7
67.05473	0.3
69.03401	0.3
69.42816	1.9
69.43659	0.2
79.05466	0.3
80.79893	0.2
81.07002	0.3
83.04967	0.3
84.04000	0.5
84.04499	8.9
85.02899	14.4
86.06052	0.5
87.04462	0.6
91.05459	0.5
93.07023	0.4
94.06597	0.2
95.01330	1.3
95.08590	0.4
102.05534	5.9
107.08550	0.2
112.03921	1.1
113.02370	1.4
116.25130	0.2
118.06526	7.3
119.08566	0.3
121.02835	0.2
123.04441	0.5
130.04991	41.4
131.05330	0.3
132.08076	2.2
133.08875	1.5
134.09637	0.5
136.07567	2.9
137.02344	0.8
144.08057	0.4
146.09633	2.0
147.10420	0.4
149.02338	0.8
152.07088	0.5
153.01822	1.3
160.11179	0.3
164.07066	2.0
170.08151	0.2
176.14334	100.0
177.14668	2.9
182.08119	0.5
195.02876	0.4
202.15849	1.0
216.13837	0.6
231.06470	0.6
242.92444	0.2
259.06018	0.8
288.15921	5.1
289.16611	0.3
298.79764	0.2
305.18582	21.1
306.18930	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1744
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.5
57.03423	0.5
57.07070	9.0
67.05501	0.6
71.45860	0.8
79.05501	0.6
81.03423	0.6
81.07055	2.0
83.01349	0.4
85.06522	0.4
91.05473	0.7
93.07040	0.6
95.08568	0.5
104.63130	0.4
109.02853	1.5
109.06499	3.9
111.39772	0.3
116.86965	0.3
119.31300	0.4
123.11700	3.6
127.03873	2.5
135.11642	0.5
137.05962	5.2
153.05460	1.3
165.05460	100.0
166.05818	2.0
167.06973	0.4
177.09093	0.4
183.06540	0.5
221.11703	48.8
222.12045	1.4
237.11324	0.3
240.30965	0.3
287.16418	3.9
305.17505	2.0
305.30176	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1742
Annotation	Prosolanapyrone II
Peak:m/z	Relative Intensity
50.16877	0.2
53.03927	0.6
55.01867	0.6
55.05506	0.2
57.07061	0.4
57.29613	0.2
62.14146	0.2
62.30275	0.2
65.03931	0.3
67.05479	0.6
69.07068	0.3
70.74847	0.5
70.75211	0.2
77.03924	0.2
79.05473	1.3
81.03001	0.2
81.03402	1.1
81.07046	4.2
83.01331	0.6
91.05463	1.3
93.07024	0.6
95.04966	0.5
95.08581	0.9
105.06991	0.5
107.08578	0.8
109.02840	1.3
109.06508	5.5
109.10133	1.0
110.03137	0.2
119.04929	0.5
119.08549	0.2
121.10117	0.4
123.11691	13.4
125.06007	0.2
127.03885	2.8
133.10069	0.3
135.11674	1.9
137.05956	7.9
139.03882	0.2
141.05360	0.2
145.44485	0.2
147.04343	0.3
147.11633	0.3
150.14699	0.2
151.07498	0.4
151.90152	0.2
153.05463	2.0
163.07539	0.5
165.05453	100.0
166.05795	1.7
167.07004	0.7
179.06978	0.8
183.06477	0.4
193.08519	0.2
203.06958	0.2
205.08551	0.3
207.10059	0.3
225.57549	0.2
231.10103	0.4
269.15393	0.7
287.16379	19.2
288.16687	0.6
305.17429	20.0
306.17825	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1493
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	0.4
57.51154	0.3
69.07065	6.1
70.06569	1.0
70.07358	0.3
70.71131	1.0
81.07025	0.8
84.08140	0.7
86.09698	56.6
87.10031	0.4
91.05469	1.0
95.04926	0.4
100.29993	0.3
101.61847	0.4
105.07027	0.6
109.10192	0.5
113.06013	0.3
116.98560	0.3
118.06478	0.7
119.08490	0.4
120.08038	0.4
125.62321	0.3
128.04939	3.1
132.04417	1.9
132.10187	1.8
137.02289	0.5
140.77138	0.3
145.07590	0.9
146.05992	100.0
147.06339	1.2
150.06451	0.3
158.05962	0.4
173.07159	0.6
174.05482	10.9
191.08174	2.3
213.13846	0.5
241.13376	2.6
245.32507	0.4
259.14401	47.9
260.14719	1.1
287.13824	1.3
305.08005	0.5
305.14838	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1492
Annotation	NSC 177499
Peak:m/z	Relative Intensity
60.50323	0.4
69.07064	5.8
69.98160	1.0
69.98577	1.3
70.06573	0.9
81.07059	0.7
84.08116	0.7
86.09697	55.5
91.05456	1.0
93.07013	0.6
94.51594	0.4
95.08588	0.4
98.21426	0.7
107.08604	0.4
109.86195	0.4
114.99698	0.4
118.06500	0.6
128.04927	2.8
132.04424	1.8
132.10202	1.7
137.02388	0.5
141.33925	0.5
145.07602	0.8
146.05991	100.0
147.06337	0.8
147.93480	0.4
153.64900	0.4
154.43362	0.4
173.07079	0.5
174.05502	11.2
191.08163	2.6
213.13805	0.6
241.13359	2.3
244.22673	0.7
255.13628	0.5
259.14398	46.5
260.14746	0.9
287.13702	1.1
305.14798	1.8
305.24500	0.9
306.26352	0.8
311.12030	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1744
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71714	0.1
53.03933	0.5
55.01861	0.4
57.07067	3.0
61.39550	0.2
65.03915	0.2
66.50467	0.2
67.05484	0.3
69.07046	0.7
71.46048	0.3
79.05467	0.8
81.03401	0.6
81.07046	1.7
83.01329	0.5
85.06535	1.7
86.81930	0.1
91.05470	1.1
93.07037	0.2
95.04953	0.3
95.08574	0.3
105.07012	0.3
107.08607	0.3
109.02855	1.3
109.06507	4.0
109.10086	0.2
119.04913	0.5
121.10129	0.2
123.11688	4.2
127.03909	2.2
129.98169	0.1
135.11668	0.4
137.05965	5.9
138.06369	0.2
141.12709	1.0
147.04372	0.4
153.05463	2.3
165.05455	100.0
166.05756	1.5
167.06972	0.2
177.05443	0.3
177.09102	0.3
179.07050	0.5
183.06560	0.3
203.10542	0.2
206.07904	0.2
216.20761	0.1
219.10143	0.9
221.11703	44.5
222.12091	1.2
231.10204	0.2
237.11160	1.7
249.11307	0.2
269.15369	0.3
287.16370	4.9
288.16779	0.2
305.17444	7.5
306.17767	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1226
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01842	4.1
55.05502	2.5
56.96540	4.6
57.03445	1.7
57.07065	1.5
59.04994	2.0
67.96847	1.4
70.06583	5.7
71.04969	2.0
71.08627	100.0
71.75312	1.6
71.75774	2.1
72.08951	1.8
73.02900	1.8
75.04469	2.8
81.03413	1.7
82.22418	1.5
83.01321	5.5
83.05047	1.8
84.08143	3.7
85.02898	2.9
87.04448	6.1
98.97572	8.7
99.04435	3.4
99.08086	83.4
100.08409	1.8
101.02407	1.8
103.05476	2.1
110.07119	2.0
111.00758	4.8
113.02373	2.6
115.03932	6.8
116.98604	6.1
117.09079	1.6
119.08582	1.4
120.08099	4.6
128.98555	2.2
130.06506	2.1
131.00136	1.8
133.02795	4.4
134.99675	3.2
137.02347	2.2
137.05876	1.8
142.82751	1.5
143.03363	5.2
146.06065	1.7
149.01181	1.6
149.06010	2.3
150.06731	2.3
153.01715	2.0
158.06023	3.1
158.99602	2.0
173.01247	3.0
177.00722	3.7
188.07066	1.9
202.98618	1.8
205.96938	1.5
206.07143	1.8
234.06778	3.8
259.11670	2.3
262.06308	4.4
277.08548	2.7
290.05743	5.4
305.08176	11.4
305.11133	2.6
305.17621	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1226
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00283	1.8
55.01859	4.5
55.05507	1.2
60.53358	1.1
68.99775	4.1
69.03408	2.9
70.06574	2.2
71.04977	1.9
71.08623	100.0
71.69993	1.1
73.02910	1.5
75.04475	2.8
76.80555	1.2
81.03426	1.8
81.07042	2.0
83.01328	7.7
84.02129	1.9
84.08128	2.1
85.02895	3.9
86.09701	1.3
87.04470	8.2
97.02900	1.3
98.97555	3.5
99.04453	4.7
99.08083	79.8
100.08446	1.7
101.02351	2.1
102.96896	1.2
109.10120	1.1
109.63342	1.1
111.00792	5.8
112.90005	1.1
113.02365	6.1
115.03940	9.3
116.98589	1.7
117.09125	2.1
118.21309	1.0
120.08076	1.8
125.02441	1.1
127.03905	4.5
129.01802	1.2
130.06514	11.7
137.02330	40.9
137.03319	1.5
137.05956	1.2
143.03384	8.6
145.07585	1.6
146.06003	20.9
146.95880	1.5
148.03845	3.0
153.01819	23.1
156.04446	5.4
157.07594	2.3
158.06006	27.9
160.07489	1.4
160.97523	1.1
164.96921	1.9
173.07098	14.6
174.05431	6.0
179.03383	4.2
201.06490	1.5
202.04993	3.6
219.01820	1.8
219.07755	1.6
236.98956	6.2
237.02834	3.6
243.07829	1.8
254.22147	1.1
254.99998	10.7
259.07074	4.5
259.11719	2.6
305.01761	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1207
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40487	0.7
53.03941	0.9
55.01900	0.7
56.96563	41.2
57.03437	0.8
61.56978	0.7
69.03429	3.5
70.06591	4.9
70.65519	1.7
70.65913	1.9
70.98118	9.6
71.95271	2.7
72.08147	2.3
72.96045	0.9
73.02932	1.0
73.08488	0.8
74.48096	0.7
74.97575	1.0
81.03433	1.4
81.04556	2.7
84.04513	1.4
84.08130	7.7
84.96040	2.3
85.02899	5.1
85.06546	1.7
86.09702	1.2
88.99146	5.0
95.06105	1.8
96.08174	0.9
97.02914	4.2
98.09685	12.3
98.97575	33.4
98.98231	1.8
99.04511	0.8
100.04019	0.9
101.00901	2.5
109.02925	1.0
110.07255	1.0
110.97607	2.3
112.99174	1.3
113.00860	1.1
113.03539	1.0
116.98615	25.8
119.01931	8.6
120.02013	0.9
124.95473	3.8
125.02417	2.7
125.07159	3.4
126.97080	1.0
128.98625	3.7
129.10266	1.8
131.00215	2.9
131.01904	5.9
131.05568	4.6
132.08437	2.7
133.01776	2.0
133.03505	3.2
134.99625	10.5
140.00270	0.9
140.98647	1.7
142.96515	7.2
143.00197	1.7
143.01886	1.9
143.03398	2.0
143.05582	1.2
143.08139	9.6
144.10182	5.1
144.98167	1.7
145.01691	1.0
145.03458	2.2
146.99622	6.5
147.01433	0.9
147.05003	1.5
149.01279	2.4
149.06593	6.5
153.00778	1.6
155.01894	4.8
155.05548	1.0
156.98067	1.2
157.03517	1.7
158.99652	5.4
159.05064	1.1
160.97635	3.3
161.01302	2.9
161.03020	7.3
161.06676	3.6
162.99168	1.5
165.00793	3.4
170.96143	2.0
171.59224	0.8
172.94366	0.8
172.97630	3.5
173.01402	1.5
173.03009	5.5
173.06613	6.3
174.03860	1.0
174.06900	0.9
174.99101	4.3
175.04491	1.9
177.00789	2.9
179.02174	0.8
179.07745	0.9
184.97508	4.2
185.03058	3.0
185.05141	0.9
185.06610	5.1
186.99138	1.0
187.08189	1.6
188.97072	11.3
189.00696	5.2
190.98587	9.2
191.02330	1.8
193.00198	5.8
195.54044	1.7
197.06607	1.9
201.00790	1.5
202.98613	6.6
203.02339	1.4
203.04073	1.5
203.07585	9.2
205.00328	3.5
206.98085	9.7
207.01736	4.1
208.99863	2.4
209.06667	1.1
211.01390	1.4
212.97084	0.8
214.98666	1.5
215.07616	9.2
217.00307	2.4
217.09277	1.6
219.01843	2.0
220.99658	5.0
221.05000	8.1
223.01389	1.9
227.07788	0.9
230.98088	9.7
232.99690	4.2
235.01358	2.5
237.02890	1.5
239.00748	1.4
239.07799	1.6
244.99857	2.8
245.05096	5.1
245.08862	2.0
248.99216	4.4
250.97571	1.2
251.00581	1.0
257.08737	2.0
263.00687	10.3
263.06375	1.5
275.09906	2.6
281.01773	6.3
304.95135	1.0
305.12073	100.0
306.11874	2.9
306.15634	6.5
323.03082	1.0
323.06738	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.0542
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	7.0
56.96553	68.1
67.05489	10.3
69.03403	4.0
69.07047	6.5
69.29800	2.9
70.06582	5.9
71.95255	3.6
79.05494	6.1
79.40576	2.9
80.96622	3.0
81.07045	15.9
83.08613	5.0
84.96015	7.8
91.05465	7.8
93.07026	15.7
95.08595	12.7
98.97575	61.7
105.07018	9.4
107.08549	16.5
109.06493	4.0
109.10150	6.5
110.97557	15.1
112.99125	20.8
116.98603	56.1
117.07015	4.3
119.08597	10.3
119.28520	2.9
121.10132	9.3
123.11700	6.4
124.99059	3.9
127.11186	3.9
128.98590	42.9
130.76932	2.9
131.00153	51.9
131.51537	3.0
133.10101	6.4
134.99648	40.7
135.11690	8.6
137.05911	4.2
137.13254	4.3
139.48062	3.6
143.00146	33.0
145.01678	6.4
145.10094	8.4
146.99625	54.0
147.11670	4.6
149.01189	94.7
149.13234	6.7
152.00223	4.5
153.00735	3.7
154.01828	4.0
158.99657	5.5
161.01201	72.5
162.99156	4.6
165.00674	15.8
167.02222	15.7
170.01216	8.2
170.99652	5.1
172.02805	9.2
173.01228	8.0
177.00697	9.1
177.21306	3.8
179.02278	11.6
184.02785	7.8
185.01192	43.2
187.02797	7.9
189.00676	13.5
191.02240	10.9
203.02229	100.0
205.03923	3.8
212.02292	4.7
221.03253	34.1
226.03854	17.2
227.02245	5.4
245.03287	21.7
263.04413	7.8
269.22580	3.5
287.23529	5.1
305.08029	10.4
305.11707	9.1
305.24753	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	304.2631
Annotation	Fenpropimorph
Peak:m/z	Relative Intensity
50.71111	0.3
50.95768	0.3
53.03923	1.0
55.01853	1.3
55.05269	0.5
55.05503	5.9
57.07047	0.8
65.03930	0.9
67.05499	24.0
69.07059	4.8
69.96384	2.2
70.06583	0.5
71.23591	0.3
72.04513	0.7
72.08131	0.7
76.84528	0.3
78.80406	0.3
79.05486	10.7
80.05019	0.4
81.07047	20.5
82.06544	0.5
83.08614	2.2
84.08118	0.4
85.02885	0.3
85.05276	4.1
86.06038	2.1
86.09721	0.6
91.05470	5.4
91.59985	0.3
92.05846	0.4
93.07030	10.2
95.04972	1.8
95.08598	14.3
96.08102	0.6
97.06506	0.5
97.10158	0.6
97.44321	0.3
98.06043	19.1
98.20762	0.6
105.07031	3.4
107.08574	5.6
108.08083	0.5
109.06506	0.6
109.10143	4.8
110.09647	0.9
111.06846	0.4
112.07571	2.2
112.11253	0.6
117.06998	1.1
119.08552	1.7
121.10122	4.1
123.08047	0.7
123.11709	1.0
124.07577	1.3
124.11195	1.5
125.08342	0.5
126.09155	0.8
128.41116	0.3
131.08548	1.7
133.10127	2.1
134.09618	0.3
135.11693	2.5
138.09132	1.2
140.10622	1.8
143.08472	0.5
145.10126	1.5
147.11650	1.1
148.11263	0.4
149.13240	0.8
152.10687	1.4
154.12260	1.2
159.11775	0.4
161.13252	0.7
163.14714	0.6
166.12288	0.8
168.13844	0.4
173.13303	0.4
180.13811	0.4
182.15405	0.4
184.07314	1.1
194.15475	0.7
196.16953	0.6
206.15421	0.4
210.18535	0.4
217.19443	0.4
219.21109	0.4
220.16953	0.5
222.18546	0.9
234.18494	1.1
236.20146	0.5
243.21150	0.6
248.20151	1.1
251.52377	0.4
287.23715	0.8
304.26318	100.0
305.13779	1.0
305.26694	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.263
Annotation	Fenpropimorph
Peak:m/z	Relative Intensity
53.03936	0.6
55.01855	0.9
55.05507	7.7
56.05016	0.3
57.07065	0.4
59.99854	0.2
65.03925	0.8
65.52821	0.2
67.05498	21.2
68.05843	0.3
69.07063	6.0
70.10747	1.2
72.04482	0.5
79.05488	6.7
81.07050	15.5
82.07380	0.4
83.05003	0.3
83.08624	1.6
84.04495	0.3
84.08115	0.4
85.05273	3.5
86.06041	0.9
86.72750	0.2
91.05477	3.4
93.07033	6.8
94.06527	0.3
95.04952	1.0
95.08598	10.0
96.08099	0.4
97.06516	0.3
97.10166	0.5
98.06042	20.7
98.09710	0.3
98.20827	0.4
99.06842	0.4
105.07024	1.7
107.08575	2.6
108.08074	0.4
109.10136	3.0
110.09656	0.5
112.07595	2.4
119.08549	0.9
120.08025	0.2
121.10141	2.0
123.11676	0.9
124.07584	0.6
124.11231	0.4
125.08322	0.3
126.09143	0.7
131.08492	0.5
133.10110	0.8
134.09593	0.2
135.11655	0.7
138.09120	0.9
140.10677	1.1
143.51707	0.3
145.10091	0.5
147.11678	0.5
149.13263	0.4
152.10715	0.6
154.12244	1.2
161.13269	0.3
166.12280	0.4
168.13853	0.6
173.13345	0.3
173.72688	0.3
180.13828	0.6
182.15381	0.6
194.15375	0.3
196.16948	1.0
208.16907	1.3
210.18393	0.2
222.18510	1.0
234.18484	0.5
236.20071	0.3
244.22835	0.3
248.20012	0.6
293.65689	0.2
304.26321	100.0
305.26633	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	304.1653
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.9
55.05505	16.0
56.05025	2.0
56.96587	0.8
57.03420	2.1
57.05811	1.7
58.99579	11.2
60.04517	1.0
61.01141	1.2
64.22980	0.8
67.05494	1.1
69.03432	3.6
69.07056	1.2
70.05852	3.3
70.06261	1.3
70.06582	5.8
72.08146	100.0
73.01148	1.3
73.08473	1.2
74.00625	0.9
76.02222	4.9
76.04001	2.2
79.05476	3.7
81.03422	3.0
81.07051	17.0
84.04510	2.1
84.08140	6.2
85.01112	0.9
85.02896	2.6
86.00638	2.6
86.06059	0.7
86.09696	5.6
86.99041	9.5
88.02215	1.8
91.05473	3.1
91.67931	0.7
95.06097	2.1
95.08624	0.9
97.02898	1.3
97.06542	1.0
98.09665	1.8
98.97595	1.2
99.04472	0.9
99.08081	3.7
102.05534	0.8
103.05479	0.7
109.02889	3.9
110.07169	1.9
111.09190	0.7
112.08735	0.8
113.04211	1.2
114.05509	1.6
115.05431	0.8
116.01665	35.3
116.07087	1.5
116.98602	1.5
118.06522	6.5
120.08080	4.3
122.09632	1.4
127.03894	6.0
127.08665	3.8
129.10258	3.7
130.06497	5.8
131.00191	0.9
132.08060	8.8
136.07556	0.9
139.05742	0.8
141.10472	0.6
142.06490	1.9
143.07315	1.0
144.01129	12.8
144.08075	11.2
144.10147	0.7
146.05994	32.3
150.48756	0.7
156.08415	5.7
157.06862	1.6
159.09166	14.6
160.07661	2.1
162.02184	55.3
163.02565	0.8
167.05148	1.1
169.11926	0.7
170.05998	5.3
172.07576	1.0
184.07922	3.2
185.09227	3.7
188.07056	62.5
189.07329	1.6
200.07114	2.9
201.10550	8.5
202.08939	0.9
205.09708	45.9
206.10080	1.5
206.85184	0.7
216.06886	1.0
259.11072	4.4
260.09592	2.5
281.67139	0.9
286.13916	0.9
287.10626	6.0
287.13953	5.9
304.05377	1.0
304.13184	3.0
304.16641	9.4
305.16940	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.1499
Annotation	Nicotianamine
Peak:m/z	Relative Intensity
56.04756	0.7
56.05027	13.3
58.06595	6.2
60.05618	0.8
68.05035	2.9
69.03416	0.7
70.06583	16.8
71.73351	0.7
72.08146	1.1
74.02438	0.9
74.06057	1.4
82.06553	1.1
84.04493	1.7
84.08123	3.0
85.02885	0.9
85.07658	4.9
86.06059	16.1
86.09690	0.8
88.03987	1.2
88.90758	0.6
94.06559	0.6
96.08133	1.4
97.07678	0.7
98.09693	1.2
99.09202	0.7
100.03953	4.5
102.05525	7.5
111.05503	0.6
111.09183	1.1
112.07492	0.7
112.08688	0.7
113.07140	1.2
114.05514	51.6
118.67537	0.7
119.01895	2.3
124.07578	6.9
128.07039	2.5
129.06577	4.5
130.04964	2.1
139.08618	1.7
141.06583	0.7
141.10211	9.2
142.08626	7.0
145.03404	1.8
145.09705	3.2
151.08632	1.7
153.10187	0.7
157.09721	3.6
158.08072	0.7
159.05008	0.8
159.11375	0.7
168.06558	1.1
168.11304	2.6
169.09711	0.8
170.12927	0.8
185.09193	100.0
186.07594	4.5
186.09380	1.4
187.04558	1.7
196.10762	4.1
203.10292	3.5
212.30229	0.6
214.11818	2.6
215.10272	1.8
222.12270	0.8
240.13403	4.3
258.14447	2.3
268.12970	2.1
286.13937	44.4
287.14075	1.4
304.15106	7.1
305.08200	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.1388
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	3.8
55.05504	4.9
56.96552	2.0
57.03430	7.6
60.04518	13.9
61.02909	6.6
61.92612	1.7
67.05515	2.6
69.03427	24.4
69.07061	54.1
70.06578	8.7
71.08622	25.5
71.72386	2.2
72.08144	10.1
73.02933	3.7
79.05489	2.6
81.03414	12.7
81.07071	1.6
83.04967	2.7
84.04488	6.0
84.08138	8.2
85.02895	82.5
86.02419	10.8
86.06045	2.1
86.09689	5.4
87.12724	1.7
88.04022	1.9
88.99741	1.8
91.03947	2.0
91.05495	2.2
94.06567	2.1
96.08122	6.4
97.02885	57.5
97.06522	10.1
98.09719	9.0
98.95321	1.9
98.97573	4.1
99.04449	4.3
99.10018	6.6
103.03935	8.1
105.07044	1.7
109.02863	18.0
110.06007	2.5
114.05476	2.1
114.09152	21.8
116.07092	1.9
117.05795	2.1
117.06995	1.7
120.08112	5.8
121.02850	2.3
123.04452	4.2
124.07610	2.7
127.03902	17.9
129.07001	3.2
129.10211	2.4
130.06517	26.0
130.08679	2.2
136.07518	2.1
137.02335	27.4
137.03369	3.2
138.09126	3.3
139.05779	1.7
142.08624	100.0
144.08110	5.7
144.10211	7.7
145.04962	6.6
145.10590	9.7
146.06023	4.0
147.04430	3.3
153.01894	2.4
154.06607	2.9
156.08067	6.4
156.10152	4.3
157.07565	2.2
158.06021	4.1
168.08095	7.1
172.07620	3.7
173.01227	2.7
180.10204	3.0
184.09676	91.4
194.09744	2.6
196.07625	3.6
200.06982	4.0
203.03523	1.9
208.09616	20.6
210.09204	4.7
212.07140	2.5
214.08670	3.3
223.07516	4.6
223.96480	1.9
238.10744	2.1
240.10237	2.1
242.09372	4.7
244.09633	2.2
245.55475	1.8
249.17056	1.8
250.10727	15.2
268.09552	2.5
286.13089	3.6
304.05408	3.5
304.11932	7.5
304.13980	2.1
305.11606	3.2
305.15643	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	304.1388
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	2.7
55.05511	2.1
56.05032	2.6
57.03436	3.8
58.06588	2.3
59.62889	1.4
60.04521	11.8
61.02916	4.7
67.05493	1.4
69.03419	16.5
69.07063	47.9
69.94153	3.4
69.94563	6.0
70.06590	8.0
71.01362	1.3
71.08627	19.4
72.08145	5.6
73.02924	2.4
79.05483	1.3
81.03416	9.7
81.07037	1.7
83.08594	1.6
84.04485	7.1
84.08128	4.3
85.02898	78.5
86.02437	6.2
86.06080	2.1
86.09686	4.6
87.04478	2.2
88.03983	1.3
91.05479	2.1
94.06583	1.9
95.06120	1.3
96.08112	3.4
97.02887	52.0
97.06530	6.0
98.06002	2.0
98.09695	6.7
99.04438	4.3
99.10010	2.0
103.03925	8.4
108.08064	2.0
109.02875	15.1
110.07144	1.7
112.11213	2.4
114.05560	1.7
114.09158	21.8
115.05066	1.4
120.08128	3.2
121.02890	1.4
123.04418	2.0
127.03915	17.9
128.28569	1.3
129.10301	1.9
130.06525	22.9
131.04915	2.0
134.05966	3.2
136.07567	1.6
137.02310	7.6
138.05611	1.6
138.09163	6.0
142.08623	100.0
144.08029	1.5
144.10204	3.3
145.04921	7.0
145.10573	3.4
146.05994	3.3
153.06618	3.2
156.08145	1.8
156.10155	3.5
157.07652	3.3
158.05956	9.4
161.32985	1.4
165.06972	1.8
167.07147	3.2
168.08051	4.0
172.07593	2.5
175.08681	2.3
180.10152	1.8
183.08057	2.1
184.09679	86.2
186.05518	1.9
186.09079	1.7
200.06989	1.7
202.53592	1.5
208.09666	15.2
211.07516	2.5
214.08653	1.8
220.09676	2.3
222.09186	2.0
223.07552	12.5
238.10846	2.5
242.09331	7.8
245.05174	1.9
250.10675	13.2
260.10321	3.1
262.22552	1.8
268.09698	5.5
286.12759	7.0
304.05307	2.0
304.11240	2.5
304.13901	5.0
305.10672	1.4
305.11832	1.7
305.15601	18.8
305.18909	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1803
Annotation	Unknow
Peak:m/z	Relative Intensity
58.64916	20.5
59.89495	16.6
61.11420	16.2
66.23769	18.3
67.05502	28.8
70.34267	88.5
75.95393	19.1
81.07037	25.2
93.06988	25.3
95.08605	48.8
99.68753	16.9
107.08596	26.1
133.10008	18.2
147.11647	26.3
155.01788	29.0
159.11656	17.9
171.00095	18.6
171.01352	100.0
194.02971	19.9
235.85240	21.4
237.38226	22.2
303.04840	78.9
303.18002	43.5
303.22839	23.0
314.82047	17.8
319.35986	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	304.1324
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.5
55.05511	1.8
56.05022	2.4
56.96553	4.7
57.03421	2.0
57.07090	1.2
58.31733	1.0
58.99579	18.9
61.01143	1.1
68.05029	1.7
69.07065	1.9
70.06589	10.3
71.75178	1.1
72.08141	3.3
73.01123	2.4
76.02219	4.1
76.03996	3.8
79.05492	5.7
79.83832	1.0
80.04990	1.2
81.07047	30.6
84.04495	2.3
84.08131	7.8
85.02896	1.8
86.00606	2.5
86.06075	2.8
86.09692	6.1
86.99046	14.3
88.02216	5.0
88.03932	1.4
91.05459	1.4
93.07053	1.3
94.06609	1.4
95.06104	3.0
95.08588	1.7
97.06541	1.5
98.09703	1.5
98.97587	5.7
99.08086	6.1
103.03295	6.9
105.69515	1.2
110.07176	4.8
113.04235	1.5
114.05537	3.0
116.01667	63.7
116.98604	4.1
120.08104	3.9
126.09135	1.3
129.10251	3.6
130.06555	1.9
131.00208	2.5
132.55409	1.0
134.99644	4.2
136.07585	1.4
137.05939	1.1
144.01122	22.9
146.05952	2.5
149.01215	1.5
151.58177	1.0
156.08391	3.5
157.03159	1.4
157.06828	2.3
158.06059	1.5
162.02188	100.0
173.01213	3.3
174.06989	9.0
184.07887	7.8
185.09193	4.1
191.02261	2.9
200.06975	1.5
201.10580	6.6
201.60750	1.0
207.01755	2.3
260.09518	3.0
270.70737	1.0
278.31747	1.0
281.01846	3.1
284.49875	1.1
286.14182	2.1
287.10614	10.9
304.13254	2.8
305.11108	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1223
Annotation	Dalberatin E
Peak:m/z	Relative Intensity
55.01847	2.5
56.96539	3.0
65.03917	4.3
67.05499	2.4
69.47205	21.6
79.05444	2.3
85.07662	2.1
90.18272	1.9
91.05478	6.5
94.04156	3.5
95.08569	4.3
103.05421	4.8
105.06989	2.5
107.08577	2.6
111.04385	3.1
114.87389	2.1
119.08588	2.8
120.97859	2.0
121.06484	2.8
122.03627	9.5
129.07054	2.1
129.08093	2.2
131.04924	4.1
137.05962	100.0
141.06949	3.0
149.05949	6.1
151.07513	7.3
153.05498	3.2
153.06938	6.1
155.08473	2.6
163.07457	3.5
165.06938	10.1
168.05658	4.1
173.07091	2.2
175.11195	2.3
181.06467	3.8
182.07222	3.7
183.08061	14.1
191.42592	2.2
193.06450	3.8
194.50084	2.7
196.05209	2.7
197.06041	2.2
199.05138	2.5
207.04501	2.7
211.07533	10.5
212.10605	3.2
214.10844	3.3
215.08171	9.5
228.08937	8.4
229.09604	4.9
229.13362	8.8
235.75861	2.4
243.11148	12.0
257.12891	24.4
258.11258	7.7
259.14383	2.5
271.09756	12.3
285.12338	52.2
288.09946	3.6
303.04990	2.9
303.12643	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	303.1336
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03896	0.4
55.05457	1.9
65.03890	1.1
67.05496	2.9
69.03401	0.7
69.07008	1.5
70.54101	0.3
71.04931	0.8
71.29683	0.6
71.30042	0.7
79.05478	1.9
81.07053	3.9
82.02876	0.5
83.04915	1.5
84.08040	0.4
85.06518	0.3
89.46294	0.3
91.05471	2.0
92.04936	1.3
93.03379	0.4
93.07027	3.1
94.06497	1.3
95.04941	2.2
95.08594	3.0
97.06484	0.8
97.10108	0.5
98.97513	0.3
105.07018	2.9
107.08587	2.5
108.08021	0.5
108.48869	0.4
109.06486	0.8
109.10141	2.0
113.09608	0.4
115.05419	0.5
117.06930	0.7
119.08579	2.6
120.04453	1.6
120.08086	0.4
121.06428	1.2
121.10137	2.2
122.06036	3.6
123.08014	0.6
123.11612	1.0
124.07520	1.0
125.09553	0.4
127.11109	0.6
129.06963	0.6
130.06451	0.4
131.08516	1.2
133.10110	2.4
135.04341	0.3
135.07968	0.4
135.11647	0.8
136.07562	1.6
137.05910	0.8
138.09113	3.5
138.96178	0.3
141.09021	0.3
142.07669	0.4
143.08496	1.3
144.08012	0.3
144.09256	0.4
145.07542	0.5
145.10069	1.8
146.09598	0.5
147.11688	2.1
148.03882	1.0
149.09583	0.5
149.13203	0.6
153.06857	0.4
155.08424	0.4
156.09283	0.5
157.08836	0.4
157.10121	0.8
158.09605	0.7
159.11642	1.3
161.13193	1.0
163.08612	0.6
164.07045	3.0
165.12671	0.4
167.08438	0.5
168.08000	0.5
169.08807	1.1
169.10120	0.6
170.09561	0.6
171.09169	0.6
171.10413	1.3
172.07524	0.8
172.11124	0.4
173.07097	2.4
173.08359	0.6
173.13263	0.7
174.09084	1.0
175.08665	0.6
175.14674	0.4
177.12718	0.5
182.08162	0.5
183.08003	0.6
184.07544	0.8
184.11218	1.5
185.06946	0.7
185.08408	0.6
185.10751	0.5
186.09050	0.8
186.11443	2.7
186.12816	0.8
187.08652	2.1
187.14755	0.6
188.10637	0.8
189.10233	1.5
197.08304	1.4
198.09082	0.9
199.08498	1.5
200.09288	1.7
201.10208	1.8
201.13869	7.5
202.08546	0.5
202.12227	1.0
203.17862	0.5
211.12105	0.5
212.10684	6.1
213.06544	1.4
213.10214	0.9
214.10866	2.1
214.12338	1.8
215.11765	1.0
216.10124	1.0
216.12334	0.4
224.09506	0.3
227.08192	1.8
227.11703	0.6
228.08827	2.6
229.09644	3.0
229.13333	38.3
230.11705	2.4
230.13708	1.3
239.11713	0.8
240.10284	2.0
241.09743	1.0
242.10387	3.2
243.11147	1.1
255.11284	1.3
256.11972	0.6
257.12814	100.0
258.10992	6.4
258.13297	2.3
259.14438	3.0
267.20953	0.4
271.09656	0.6
275.13852	1.2
285.12311	8.8
285.22028	1.5
286.10748	1.1
303.04980	0.9
303.13370	19.7
303.23114	4.7
304.11633	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	303.1225
Annotation	4'-Hydroxy-3,3'-dimethoxy-4,5-methylenedioxybibenzyl
Peak:m/z	Relative Intensity
51.28784	1.4
53.27482	1.1
55.01829	1.8
55.05522	2.1
56.96561	1.5
57.13091	1.2
57.85667	1.1
60.09894	1.2
67.05489	2.0
70.06591	2.3
71.24946	1.6
71.25252	2.0
81.07063	2.0
84.08138	2.5
86.09660	1.3
87.85108	1.1
91.05456	3.8
94.04153	3.9
95.08575	2.5
103.05457	2.2
107.04935	4.0
110.07143	2.1
119.04879	1.5
119.08572	1.3
120.08132	2.4
122.03617	10.1
131.04900	2.3
137.05963	100.0
138.06308	2.1
139.07529	2.8
147.04340	1.5
149.05959	3.0
151.07523	3.4
153.01773	5.4
153.05507	2.3
153.06938	4.5
155.08554	1.9
163.07582	2.6
165.06972	8.2
168.05681	2.4
171.02823	1.6
175.07550	1.5
177.05472	2.0
181.06473	4.5
183.08009	6.9
198.46042	1.4
207.04410	2.7
211.07492	6.6
215.10612	1.6
225.05510	1.6
225.09047	2.2
239.07051	2.6
243.10194	3.6
267.29172	1.4
271.09641	7.9
288.09860	1.5
288.64911	1.6
303.05167	6.4
303.08173	2.2
303.12421	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	303.084
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	2.2
55.05495	2.7
56.05021	5.1
56.96559	12.2
57.03442	3.1
61.02926	2.0
65.66235	1.5
67.05499	4.4
69.03413	5.4
69.07066	3.0
70.06590	15.1
70.61456	5.9
71.04993	3.6
72.08144	8.8
73.02908	2.3
74.06049	1.8
81.03398	3.8
83.06100	15.4
84.04510	7.1
84.08133	15.8
85.02898	7.6
86.09702	5.8
87.04464	1.8
91.05460	3.1
93.04544	6.7
95.04966	3.1
95.06079	2.3
95.08615	2.3
97.02902	6.0
98.97578	20.4
99.04454	2.9
101.07132	1.6
107.08630	2.8
109.02869	2.1
109.10209	2.7
110.07154	100.0
110.97610	1.7
112.08739	2.1
116.07135	2.4
116.98614	19.6
119.01876	2.1
119.08528	2.1
120.08104	2.7
123.04440	1.9
126.42431	1.6
127.03876	3.2
128.98608	2.9
129.10204	9.9
134.05988	2.3
134.99648	10.5
138.06619	2.1
141.05357	2.2
141.07413	2.3
143.11827	3.1
146.99649	3.4
147.04370	2.7
147.11211	1.7
153.07463	2.4
155.04619	1.9
156.07663	11.1
158.99635	9.0
161.13179	1.8
162.99075	1.8
175.11859	2.5
177.00705	15.2
177.04352	2.5
185.09225	2.1
195.05858	2.0
200.02176	1.8
201.00618	1.9
203.17935	2.0
219.01762	6.1
219.05377	1.8
237.02640	8.0
257.13986	4.0
267.11465	2.1
285.13483	4.8
303.04800	4.0
303.07751	5.0
303.10562	17.9
303.14478	11.1
303.23468	2.0
321.08658	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0859
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59085	1.1
55.01868	6.1
55.02085	1.1
57.03432	1.2
65.03923	3.7
68.49137	1.2
68.99777	4.2
69.03423	5.2
70.06575	4.0
71.01344	4.2
71.04842	3.4
72.08131	1.3
79.05478	1.6
81.03423	6.7
81.07040	2.1
84.08125	2.5
85.02885	4.4
86.09703	3.6
87.00832	8.0
90.25884	1.3
91.05470	100.0
92.05794	1.4
95.08617	1.4
103.05455	12.7
105.03368	2.4
105.07007	2.0
107.02425	1.1
107.08555	1.3
109.02876	15.5
110.07137	1.6
111.04476	1.3
113.02340	2.8
115.05444	13.4
117.06988	8.3
120.08085	1.4
121.19193	1.1
126.03158	1.4
127.03905	7.6
127.05370	2.2
128.06209	54.2
129.06993	65.1
131.04915	7.0
131.08543	2.9
135.07912	1.1
137.06004	3.2
141.06967	23.9
142.07736	1.2
143.04892	1.4
143.08548	59.9
143.11761	1.3
145.06471	15.8
152.06207	7.5
153.01846	1.2
153.06976	40.5
155.04875	4.2
155.06046	4.0
155.08548	6.0
156.05775	1.6
157.06516	6.5
159.04436	1.7
161.05954	1.3
165.06950	1.6
169.06462	19.8
170.07286	1.4
171.08034	54.5
172.08458	1.8
173.05927	2.1
181.06467	59.1
182.06891	1.3
185.05969	4.2
197.05949	21.9
199.07526	96.7
201.05373	1.8
211.07640	2.3
215.06970	2.4
217.08585	24.5
218.08914	1.6
225.05415	3.2
234.42149	1.0
243.06471	9.7
271.09705	1.6
285.07742	3.9
303.04990	6.3
303.08618	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	303.0496
Annotation	Quercetin
Peak:m/z	Relative Intensity
50.61559	0.2
55.01862	0.5
55.05502	0.6
57.03401	0.4
65.03921	0.6
67.01839	0.6
67.05501	1.7
68.99792	2.4
69.03413	0.3
69.07054	0.6
70.06585	0.5
70.34995	0.4
70.35417	0.5
71.04975	0.5
79.05504	1.1
81.03422	1.0
81.07046	2.6
81.41817	0.2
83.04984	0.3
84.08121	0.2
87.18060	0.2
91.05468	2.1
93.03386	0.7
93.07050	1.4
95.04965	1.5
95.08604	1.3
97.02853	0.3
97.06509	0.8
99.04416	0.3
102.43969	0.2
103.05447	0.8
105.03363	0.3
105.07037	2.2
107.04906	0.4
107.08589	1.3
109.02863	1.0
109.06485	0.6
109.10143	0.6
110.03644	0.2
111.00784	2.1
111.04415	0.5
113.06029	0.3
115.05436	0.4
117.07028	0.6
119.04959	0.5
119.08549	1.5
120.08062	0.2
121.02862	2.4
121.06510	0.6
121.10136	0.9
123.04412	1.0
123.08073	0.3
123.11703	0.7
125.09578	0.2
127.03882	0.4
128.06192	0.3
129.06979	0.8
131.04942	1.3
131.08511	0.4
133.10092	0.8
135.04396	0.7
135.11716	0.3
137.01283	0.4
137.02336	8.0
137.03371	0.4
137.05945	0.7
145.06509	0.9
145.10109	1.2
147.04340	0.3
147.11678	2.4
149.02367	0.9
149.05992	0.7
151.07497	0.9
153.01819	11.9
153.05432	0.6
153.06981	0.7
154.02098	0.3
155.04938	1.0
155.08601	0.5
157.06442	0.4
157.10133	1.1
159.11728	0.3
160.49831	0.2
161.05956	0.8
161.09561	0.2
161.13251	0.3
163.03879	1.2
163.07553	0.7
165.01836	4.5
165.05750	0.3
165.06967	1.6
165.12755	1.1
166.02516	0.6
168.05717	0.3
173.05988	1.5
173.13235	0.3
175.11211	1.0
177.05315	0.2
179.03427	0.6
181.06461	0.4
182.07300	0.3
183.02858	1.5
183.04425	1.0
183.08046	1.7
185.05899	0.3
187.03944	1.1
191.03392	0.6
191.07001	0.2
193.12253	0.7
195.02826	0.5
195.04436	0.3
196.05186	0.3
197.05971	0.3
199.14795	0.4
201.05457	5.3
205.04950	0.5
207.02675	0.2
207.04437	0.5
211.03949	0.3
211.07539	1.4
213.05415	0.7
215.03368	0.3
217.15750	0.2
219.06499	0.6
228.04218	0.4
228.07603	0.2
229.04935	10.1
229.14346	1.6
230.05232	0.3
232.03693	0.3
239.03442	0.3
239.07040	0.3
243.10118	1.3
247.05974	1.4
257.04425	5.3
258.05029	0.3
271.09689	2.1
272.10495	0.2
274.04684	1.4
275.05508	0.4
285.03864	2.3
285.11945	0.2
285.21976	0.2
288.09830	0.6
303.04965	100.0
303.17975	1.2
303.22879	1.2
304.05313	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0497
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.2
55.01856	0.4
55.05499	0.4
57.03424	0.4
65.03933	0.8
67.01843	0.3
67.05498	1.4
68.99783	2.4
69.03401	0.4
69.07050	0.4
70.06606	0.2
71.01337	0.1
71.04981	0.5
71.73272	0.2
72.08144	0.2
79.05492	0.9
81.03423	1.2
81.07043	1.4
83.04985	0.3
83.08588	0.2
84.08122	0.3
85.02881	0.1
85.06534	0.3
86.09698	0.1
91.05481	0.9
93.03368	0.7
93.07049	0.9
95.01282	0.2
95.04958	1.5
95.08586	1.0
97.06521	0.2
101.57646	0.1
103.05460	0.3
105.03374	0.3
105.07059	0.8
105.07634	0.1
107.01308	0.1
107.04947	0.3
107.08597	0.6
109.02856	1.2
109.06497	0.2
109.10142	0.5
110.03687	0.2
111.00799	1.9
111.04425	0.3
115.05460	0.3
117.06992	0.5
119.08557	0.5
121.02856	2.3
121.06458	0.1
121.10147	0.7
123.04426	0.7
123.11656	0.3
127.03915	0.6
129.06989	0.3
131.04929	0.6
131.08530	0.4
133.06537	0.2
133.10106	0.4
135.04402	0.6
135.08047	0.2
135.11668	0.2
135.70868	0.2
137.02330	7.5
137.03401	0.4
137.05948	0.4
143.08549	0.2
145.02805	0.2
145.06476	1.0
145.10130	0.2
146.05940	0.3
147.11659	0.5
149.02347	0.8
149.09570	0.2
151.07512	0.2
153.01816	11.8
154.02187	0.2
155.04919	1.3
155.06050	0.2
155.08566	0.1
157.06506	0.2
157.10103	0.3
159.04309	0.2
159.05547	0.1
159.11650	0.1
161.05933	0.8
163.03891	1.4
165.01817	4.0
165.06998	0.3
166.02565	0.5
173.05969	1.6
175.11185	0.2
177.01807	0.2
177.05440	0.3
179.03337	0.5
181.15927	0.1
183.02875	1.4
183.04411	0.8
183.08005	0.1
187.03902	0.9
188.07010	0.2
191.03346	0.3
191.07053	0.2
195.02794	0.5
201.05443	4.6
205.04973	0.5
207.02805	0.4
211.03951	0.4
211.07474	0.2
213.05435	0.3
215.03432	0.3
219.02866	0.3
219.06483	0.6
228.04224	0.7
229.04935	9.9
229.13319	0.4
230.05324	0.4
233.04588	0.2
239.03410	0.5
239.20065	0.2
245.04543	0.2
246.05191	0.3
247.06024	1.4
257.04422	5.3
257.12827	0.9
258.04788	0.2
271.09601	0.2
274.04712	1.5
275.05405	0.5
285.03931	2.8
285.12320	0.4
303.04959	100.0
304.05295	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0496
Annotation	Quercetin
Peak:m/z	Relative Intensity
52.07096	0.1
53.00288	0.1
53.03936	0.2
55.01860	0.4
58.44576	0.1
59.94085	0.1
64.60832	0.2
65.03922	0.6
67.01859	0.4
67.05489	0.4
68.99437	0.2
68.99782	2.3
69.03405	0.5
70.06570	0.5
71.66375	0.2
71.66711	0.1
79.05490	0.3
81.03403	1.1
81.07040	0.3
83.04974	0.2
84.04510	0.1
84.08123	0.3
85.02862	0.2
85.06513	0.1
85.08453	0.1
86.09704	0.9
87.10037	0.3
87.23151	0.1
91.05470	0.8
92.86013	0.1
93.03377	0.7
93.07036	0.2
95.04415	0.2
95.04957	1.0
95.08567	0.4
103.05452	0.5
105.03358	0.2
105.07026	0.3
107.04969	0.3
107.08632	0.1
109.02858	1.3
110.03681	0.2
110.07138	0.4
111.00787	2.1
111.04408	0.4
115.05439	0.3
115.14538	0.1
117.07001	0.4
119.04939	0.3
119.08525	0.2
119.16206	0.1
120.08088	0.3
121.02863	2.7
121.06544	0.2
123.04414	0.6
127.03893	0.6
129.07027	0.2
129.10219	0.2
130.06526	0.8
131.04895	0.8
132.08063	0.1
133.02841	0.1
133.06485	0.3
135.04369	0.6
137.02324	8.1
137.05980	1.2
137.37376	0.1
138.02621	0.1
141.06981	0.2
142.06464	0.1
143.04840	0.2
143.11786	0.2
144.12120	0.2
145.06499	0.9
146.05971	0.4
147.04396	0.6
149.02353	0.8
149.05920	0.2
151.03893	0.2
151.07486	0.3
152.06270	0.1
153.01807	10.8
153.06990	0.3
154.02138	0.2
155.04904	0.9
155.05948	0.2
155.08583	0.2
157.06456	0.3
158.97325	0.2
159.04388	0.2
161.05966	0.9
163.03893	1.3
163.07501	0.3
165.01826	4.4
165.05597	0.2
165.07011	0.4
166.02589	0.5
168.05714	0.2
170.05905	0.2
171.02879	0.2
173.05971	1.7
177.01796	0.3
177.05492	0.4
179.03407	0.4
181.06535	0.2
183.02863	2.0
183.04401	0.9
183.08023	0.5
185.05855	0.2
187.03914	1.1
188.07036	0.2
191.03442	0.3
195.02888	0.5
201.05443	4.6
201.07315	0.2
202.05838	0.2
205.04950	0.5
207.02785	0.3
211.03931	0.3
211.07539	0.4
213.05400	0.4
215.03438	0.2
219.02843	0.3
219.06546	0.6
228.04089	0.7
229.04926	10.6
230.05316	0.2
232.03687	0.2
234.98997	0.8
239.03325	0.5
243.10139	0.4
245.04465	0.3
247.06009	1.5
256.10672	0.2
257.04431	5.5
258.04935	0.3
271.09634	0.5
274.04709	1.2
275.05441	0.4
285.03928	2.3
285.88116	0.2
286.04297	0.2
286.11743	0.2
303.04956	100.0
304.05298	4.3
304.13077	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0409
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99864	0.5
53.34591	0.5
56.96552	1.4
65.94321	0.5
67.99837	0.5
69.85621	0.9
69.86042	3.7
79.28321	0.4
93.06994	0.6
98.97569	2.1
101.00863	1.1
116.98588	1.8
119.01914	8.3
133.01677	0.6
134.99673	2.1
137.02945	2.4
158.99823	0.8
177.00937	16.1
178.01035	4.3
179.00731	2.2
201.00804	1.1
217.04063	2.5
218.03850	1.0
219.02002	24.2
219.04094	1.3
220.02110	6.6
221.01813	6.4
222.02003	1.2
225.00931	2.0
231.00677	0.7
234.99867	0.7
242.03398	0.8
243.01918	7.5
243.04099	0.6
244.02165	2.3
244.41385	0.6
261.03040	100.0
262.03177	31.8
263.02820	7.1
279.00735	2.0
282.99945	0.7
284.04626	5.6
284.99747	2.4
285.04620	2.3
301.00876	1.6
302.97769	0.6
303.00964	2.9
303.05786	5.8
303.19861	1.0
304.05530	1.1
320.97968	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.1233
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	4.3
55.05501	4.1
56.05029	3.1
57.01971	1.9
57.03416	5.3
58.81567	2.2
60.04499	3.1
67.05500	42.3
69.03423	20.6
69.07059	21.1
70.06590	25.5
71.04965	3.1
71.08623	1.9
72.08150	15.2
77.77499	2.0
80.86561	1.7
81.03416	8.0
81.07043	3.3
82.06576	3.1
84.04502	6.7
84.08134	22.1
85.02899	54.6
86.09700	36.8
87.88978	2.0
88.83605	2.2
91.05474	2.9
93.07088	2.0
94.06554	3.0
95.04961	53.6
97.02886	46.0
98.06045	3.8
103.03936	5.5
104.50811	2.1
105.07031	2.0
106.06575	2.5
109.02887	9.8
110.07175	3.3
112.07603	37.9
112.08727	4.3
113.05979	5.9
113.62804	2.0
114.09152	2.2
116.07172	2.3
120.08131	2.1
122.05988	4.2
123.04432	4.1
124.07623	4.5
127.03899	12.8
128.62531	2.2
129.10208	10.8
130.06499	3.0
130.08632	9.2
133.07513	2.1
134.05995	4.2
136.07587	7.3
137.02365	2.9
138.73093	2.1
140.07056	100.0
144.10141	2.5
145.04906	4.9
146.05965	4.3
152.07053	7.3
154.08607	5.0
156.11359	3.8
161.12846	2.6
164.07030	4.6
172.10779	10.8
173.07060	10.1
178.08649	5.6
182.06514	4.4
182.08124	72.3
183.08299	2.4
188.98442	2.9
206.08127	19.4
218.07941	2.2
220.09657	3.2
229.05040	3.2
236.09042	2.8
239.11765	4.6
248.09091	9.8
257.04443	3.5
257.12848	2.2
267.11353	5.4
273.09039	3.0
285.03967	7.0
285.12265	9.8
302.04028	3.6
302.07281	2.9
302.12350	8.5
302.21869	31.9
303.05005	15.2
303.08191	3.6
303.13654	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	302.207
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45173	0.6
53.60109	0.7
55.05506	6.1
56.05027	1.5
56.96560	1.1
60.04525	1.6
67.05513	1.1
69.07059	1.9
70.06584	7.7
71.06925	0.7
71.74521	1.0
72.08147	100.0
73.08488	1.4
79.05463	0.6
81.04516	1.2
81.07064	1.0
83.06143	0.6
84.04497	2.8
84.08135	10.3
85.01089	0.6
86.09698	33.3
87.02695	1.5
87.10023	1.1
87.33871	0.7
88.03988	1.8
91.05484	1.6
93.07069	0.8
95.06068	1.0
95.08611	1.4
96.08129	0.8
98.09692	0.9
98.97608	1.1
99.05577	0.8
100.07614	1.4
101.41228	0.7
103.05486	1.1
104.05261	0.7
104.13274	0.7
104.97607	0.7
107.08590	0.7
110.07160	3.9
112.08670	0.8
113.04224	1.7
116.07079	1.0
120.08116	1.8
123.09199	1.2
125.35052	0.7
129.10211	3.8
130.06845	1.4
130.08627	2.2
132.10187	6.2
135.08076	1.2
141.10149	0.9
143.11784	66.6
144.12202	1.1
147.11304	1.2
156.07715	1.1
157.13382	5.6
158.99667	0.6
159.09183	0.8
171.11272	23.9
172.10869	1.3
185.12906	2.1
199.09010	1.7
201.12375	1.7
203.13977	0.8
219.01842	0.8
230.06140	0.8
231.17062	1.9
237.02843	1.6
257.09598	1.3
260.19696	1.1
302.21851	3.6
303.05054	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.1232
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.4
55.18393	1.4
56.96547	1.5
57.03427	4.5
57.69985	1.3
60.02910	1.2
61.01151	4.1
61.02929	1.9
61.96063	1.3
65.03938	3.1
67.05500	37.5
69.03423	17.4
69.07068	15.1
70.06587	18.3
70.95864	1.6
71.11602	3.5
72.08143	5.7
73.02911	1.9
76.99176	1.3
79.05509	1.9
81.03416	7.1
81.07042	1.6
84.04526	2.2
84.08141	33.5
85.02901	42.3
86.09714	9.3
91.05524	1.8
93.24911	1.3
94.06565	3.3
95.04962	55.8
97.02888	37.5
97.03395	1.1
99.04447	2.9
103.03942	4.9
109.02867	8.7
112.07599	35.3
113.06009	4.3
122.06056	2.1
124.07575	5.2
127.03933	7.8
129.10226	5.2
130.06528	3.8
130.08620	2.6
132.08417	17.3
134.06018	6.4
136.07578	6.6
137.02382	2.0
137.05902	1.7
140.07056	100.0
140.10594	2.2
142.96548	1.5
144.10112	2.1
145.04979	2.2
147.11282	2.1
152.07010	4.0
154.08643	8.0
161.12804	2.5
164.07056	5.3
170.08031	1.9
178.08582	2.8
182.08122	67.1
183.08551	2.3
188.98375	1.7
206.08130	13.8
211.12288	1.4
218.08115	2.4
236.09238	2.1
244.16493	4.7
248.09117	8.5
267.11319	2.4
285.12280	3.7
302.18344	1.8
303.04919	8.2
303.13437	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	300.1625
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06918	1.2
53.03939	3.5
54.56663	1.2
55.01867	2.2
55.05508	19.2
57.03425	5.5
57.07078	3.4
58.06611	1.5
58.99574	5.6
59.04995	1.8
65.03919	2.1
67.05495	76.0
68.05837	1.5
69.03433	7.5
69.07065	14.0
70.06577	6.5
71.04983	5.8
72.08145	4.7
74.09707	1.3
76.02223	9.3
79.05481	15.6
81.03409	3.7
81.07046	48.0
82.07377	2.3
83.04968	4.8
83.08615	5.6
84.08150	2.3
85.01108	2.3
85.06538	3.4
86.00631	1.7
86.06055	77.9
86.99014	3.4
87.04453	9.4
88.03994	2.8
90.05538	5.7
91.05463	13.6
93.07036	16.3
95.04966	7.6
95.08594	100.0
97.06557	2.5
97.10164	1.6
98.20645	2.7
98.97561	2.1
104.07086	15.8
104.10721	6.9
105.00074	6.2
105.07031	15.2
107.04963	2.0
107.08584	8.8
109.02888	1.3
109.06480	7.9
109.10140	67.4
111.08044	2.6
117.07034	2.3
119.01640	1.3
119.08570	15.4
121.10105	9.9
122.02711	43.1
123.08091	6.8
125.09676	1.6
132.01157	3.4
133.10120	5.7
135.11690	2.8
136.06187	2.1
137.09612	7.2
137.13197	2.1
145.10106	1.4
145.96310	1.4
147.11720	2.0
151.13591	3.4
151.14807	64.3
153.07024	1.5
153.12727	3.9
155.14301	2.7
159.04764	3.0
159.11627	1.6
161.13249	8.1
175.11128	1.6
176.07335	3.0
177.05443	1.5
179.14305	42.9
181.06416	3.2
197.06029	1.6
202.08994	2.0
229.61351	1.4
236.16324	7.5
254.17560	8.3
256.20383	1.7
282.17490	1.4
282.20673	7.1
300.05957	4.4
300.09860	3.4
300.13077	2.7
300.16528	3.1
300.25574	3.3
301.07401	2.5
301.10403	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	301.1643
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	6.2
53.36848	1.4
55.01670	1.3
55.01867	12.6
55.05505	12.3
57.03429	20.6
57.34039	1.5
65.03926	3.2
67.05140	2.8
67.05497	51.4
68.99790	1.8
69.03410	4.1
69.07065	13.9
70.06573	5.8
71.04989	7.2
71.75051	2.0
72.08130	3.7
73.02886	1.9
79.05016	2.6
79.05483	50.0
81.03391	4.6
81.07047	43.3
83.04971	25.6
83.08609	5.9
84.04480	2.9
84.08116	4.5
85.02882	3.3
85.06538	9.1
86.09697	2.3
91.05469	26.9
93.03369	2.2
93.07034	48.4
95.04961	15.8
95.08595	25.3
97.02857	2.5
97.06516	15.8
97.10158	2.5
99.04444	3.6
99.08090	1.7
105.07024	20.6
107.04945	27.7
107.08584	28.3
109.06535	6.8
109.10154	12.2
111.04444	29.0
111.08070	7.9
115.05432	2.6
117.07000	11.6
119.08560	24.1
121.02769	2.3
121.06482	6.5
121.10131	41.3
123.08031	4.8
125.05984	3.6
125.09632	1.7
128.06174	1.7
129.06943	5.3
130.07767	1.6
131.04900	4.5
131.08569	16.3
133.10081	7.8
135.04395	2.7
135.08015	4.8
135.11678	35.5
136.49144	1.4
137.02333	3.9
137.05943	2.0
137.09595	3.2
139.11128	1.9
141.01866	1.7
143.08530	4.4
145.06458	5.7
145.10106	40.4
147.07994	4.5
147.11646	5.2
149.06001	1.5
149.09589	9.1
149.13141	1.5
153.01740	2.0
153.06953	3.2
153.12726	13.8
155.08530	7.8
157.10091	4.0
159.11688	5.7
161.09561	3.1
163.09758	2.4
163.11166	45.7
165.01828	6.1
166.02180	8.3
167.02260	4.6
167.03470	3.7
171.11700	2.9
173.09607	23.7
173.10950	2.7
173.13214	2.4
175.11127	1.9
177.05653	1.7
181.06430	2.9
181.12204	22.6
183.02875	3.5
184.03226	5.0
185.03401	4.6
185.13187	1.5
187.07274	1.8
187.11201	1.8
191.09062	2.4
191.10658	35.2
197.13185	3.0
199.03836	2.2
199.14871	3.4
204.21019	1.6
209.11702	18.1
213.16452	2.0
215.14226	1.9
226.06128	1.5
227.12756	17.1
231.06395	2.0
241.08539	3.3
242.53096	1.7
245.04485	1.7
258.05197	2.7
259.10764	3.1
265.14276	1.9
272.06357	3.1
273.07208	3.6
283.05923	1.9
283.15475	8.9
283.20535	5.4
286.04657	2.3
300.05804	12.7
301.06479	100.0
301.10880	6.2
301.16473	43.7
301.21503	20.3
302.06995	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	300.1627
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.2
55.01859	1.6
55.05511	16.0
57.03432	3.7
57.07056	1.9
58.99565	7.2
67.05500	79.8
68.43163	1.5
69.03428	2.6
69.07056	11.0
70.05363	5.9
70.06587	2.2
71.04977	4.9
72.08134	4.0
76.02216	13.7
79.05502	13.9
81.07048	55.9
83.04974	2.1
83.08613	4.2
86.99030	4.5
87.02702	2.6
91.05465	9.7
93.07032	17.9
95.04965	9.2
95.08599	100.0
97.06538	3.5
97.59953	1.6
98.21427	2.2
101.53635	1.6
105.00075	6.4
105.07026	13.2
107.08587	7.4
109.06508	5.6
109.10152	73.6
113.04235	1.6
117.07031	2.4
119.08540	9.6
121.10106	5.3
122.02718	39.5
123.08048	6.9
133.10135	5.2
135.11705	3.3
137.09616	6.7
151.14810	55.4
159.04701	3.3
161.13223	11.9
176.07417	2.0
179.14294	41.8
181.06418	2.9
183.04503	2.0
195.02878	3.6
195.06529	2.4
196.03223	4.8
196.06909	2.8
202.08957	4.3
285.07748	2.3
300.06210	1.6
300.09726	3.2
300.12817	3.6
301.10693	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	300.155
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96552	0.5
57.03434	0.4
58.06602	0.9
68.05022	0.6
69.07076	0.5
70.06583	100.0
70.63900	1.6
71.06913	0.9
72.08150	1.1
73.02914	0.4
80.23566	0.5
81.03375	0.8
81.07085	0.6
84.04485	1.3
84.08134	1.8
85.02872	0.5
86.09691	2.0
98.21376	0.5
104.65483	0.4
107.16489	0.4
109.02889	0.5
112.07594	88.1
113.07944	1.7
116.07099	1.0
129.10245	1.2
130.04947	0.5
136.06137	0.9
140.07050	50.4
141.07397	0.6
143.08113	1.2
144.06560	0.6
151.89534	0.5
157.09702	4.1
161.09212	1.2
169.12392	0.5
195.06572	1.0
195.26491	0.5
196.06839	1.0
198.11255	0.6
229.23282	0.5
240.13228	0.5
268.12851	0.8
282.16861	0.8
291.14713	0.5
300.05984	1.1
300.15353	1.5
300.18271	0.7
301.06998	0.8
302.06213	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.0936
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10743	0.2
52.35433	0.2
55.01848	0.2
56.05013	0.5
57.03416	0.3
57.07052	0.2
59.83739	0.2
60.04505	0.6
61.02922	0.4
68.02640	0.3
70.06586	2.7
71.01350	1.9
71.42864	0.5
72.08143	0.8
73.02904	0.5
81.03398	0.3
83.01327	0.5
83.06092	0.5
83.27303	0.2
84.04477	1.9
84.08153	1.3
85.02898	0.9
86.09690	1.1
87.93453	0.2
93.04506	0.2
94.04047	0.5
97.02885	0.4
98.03527	0.3
101.02441	0.2
106.04001	0.2
107.04924	0.3
108.08096	0.3
109.05095	0.9
110.03517	0.6
110.07175	2.3
111.03863	0.3
112.08590	0.2
116.07085	0.6
119.02744	0.2
119.03506	1.1
121.05109	0.4
123.06685	1.2
125.04562	0.5
125.06976	0.3
126.07822	0.3
127.06168	0.5
128.04556	0.5
129.01866	0.3
129.10217	0.3
130.05019	0.3
133.05083	1.4
134.51248	0.2
135.03030	0.3
135.05394	0.3
136.06169	100.0
137.04581	2.0
137.06474	0.9
138.07747	0.9
140.06963	0.5
148.06174	1.1
149.06940	0.6
150.07719	1.8
151.04941	0.5
151.06128	3.3
152.05635	1.4
153.04082	2.2
154.02469	0.7
154.04475	1.3
154.07249	0.4
155.02798	0.6
155.05666	0.3
156.07695	1.1
157.09680	0.4
164.05655	5.6
166.07246	0.4
168.05157	0.7
168.08801	4.9
170.06708	0.4
178.07220	18.0
179.07527	0.3
180.05106	0.6
185.09186	0.5
190.07228	1.6
194.06702	0.5
195.06403	0.3
196.06906	0.3
198.98534	0.4
210.06056	0.3
236.04886	0.4
252.07220	3.8
254.08821	0.7
255.06007	0.3
272.10196	0.3
282.08179	1.1
300.06259	1.3
300.09482	4.8
300.13135	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1388
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01272	0.9
55.01858	1.4
55.05491	2.0
59.19404	0.8
65.03922	3.9
66.03414	1.2
67.05497	6.0
69.03405	3.2
69.07042	1.0
70.06574	5.1
71.04969	2.5
71.72739	1.8
72.08145	12.1
78.04708	1.5
79.05481	5.7
80.05009	2.6
81.03406	1.4
81.07054	6.4
82.06573	4.2
83.01350	1.9
83.04965	1.8
84.04488	1.4
84.08146	1.7
85.02894	1.6
86.09701	2.3
89.03918	2.0
91.05470	86.0
93.03362	1.5
93.05770	2.9
93.07027	4.0
94.06561	14.4
95.04939	3.3
95.08581	3.6
96.08122	8.5
97.06517	1.1
99.04446	2.0
105.06983	1.7
106.06561	7.0
106.69228	1.0
107.04930	1.4
107.07322	2.9
107.08575	2.6
108.08112	20.1
109.06487	2.9
109.10117	2.7
110.09656	1.6
111.04413	1.2
113.05984	1.0
115.05498	1.4
116.04966	64.6
117.05761	17.8
118.06544	16.3
119.08602	1.2
120.08089	14.4
121.06489	2.1
122.05991	1.9
124.07581	20.8
127.07561	1.5
130.03995	1.4
130.06482	1.5
132.08113	1.4
133.10016	1.2
134.06003	9.7
135.08086	1.2
136.06169	2.8
136.07558	4.7
137.02310	2.2
137.09622	1.8
138.09106	2.3
142.07796	1.0
142.15509	0.9
143.08585	1.2
144.08067	7.1
146.05992	33.6
146.08350	1.0
147.08049	1.0
148.07524	9.8
149.09656	1.1
153.05489	1.0
155.10623	1.5
156.07994	1.1
164.07053	65.5
165.01833	4.7
165.07367	2.6
166.08641	2.4
167.07239	1.3
168.08051	1.9
169.08862	2.3
172.07532	6.6
175.07442	0.9
181.08849	2.3
182.09676	2.8
183.02875	3.2
183.09087	1.6
183.10509	1.7
184.09850	1.3
184.11313	1.9
192.08067	1.8
193.08870	6.2
194.09677	2.3
195.06506	15.8
195.09126	4.7
196.09915	3.5
197.10680	6.1
198.11308	1.6
198.12944	1.4
208.11237	7.4
209.10689	20.3
210.11490	33.8
211.12074	2.0
211.99908	0.9
213.07571	3.4
220.09970	4.5
221.08360	3.4
221.10730	3.6
223.08788	1.5
223.12291	9.4
224.12997	8.3
225.10236	2.8
225.13841	43.5
226.14175	1.5
235.12228	10.2
236.10657	3.5
237.10245	6.1
238.10983	11.7
241.13338	5.4
243.15036	1.1
251.11813	1.2
252.12611	2.0
253.13341	100.0
254.13712	5.0
255.14864	1.8
263.11981	1.1
271.14395	43.3
272.14700	2.0
281.12830	65.6
282.13235	3.2
282.20773	2.3
296.70941	1.0
299.05573	13.5
299.13873	77.2
299.23163	1.7
300.06284	1.3
300.14102	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	299.1639
Annotation	Auraptene
Peak:m/z	Relative Intensity
55.05500	1.2
57.07058	1.5
67.05497	3.1
69.07048	2.1
71.75649	0.8
79.05482	3.0
81.06593	1.4
81.07049	14.7
83.01326	2.6
85.93652	0.8
91.05469	10.6
93.07007	1.1
94.97077	0.8
95.08582	6.0
95.55232	1.0
98.50029	0.9
107.04948	14.3
107.08545	1.2
109.06512	1.3
119.04939	9.2
119.08585	2.4
123.04461	1.1
127.07523	2.8
135.04362	1.0
137.13231	3.7
147.04434	0.9
159.04384	1.1
163.03893	100.0
163.81870	0.9
164.04251	2.4
167.03377	1.3
181.86636	0.9
189.05478	3.6
194.10527	1.0
195.06508	15.1
201.05513	1.4
203.07001	1.3
213.07596	5.4
215.07013	3.6
299.05670	2.0
299.09576	1.3
299.12747	9.8
299.16388	6.3
302.00339	0.9
304.57004	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1638
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33703	1.8
55.05499	3.8
55.06630	1.7
57.07055	2.0
67.05501	5.1
69.07044	2.3
70.06586	6.7
71.05000	2.2
71.74408	2.5
79.05491	9.3
81.07049	19.4
82.57757	1.5
83.01349	3.1
83.04908	1.7
83.08601	2.3
84.08115	3.0
86.09728	2.2
91.05453	12.5
93.07010	12.5
95.04977	3.7
95.08618	9.4
105.07021	17.9
107.08585	6.7
109.06540	3.6
109.10144	2.5
111.04427	3.1
117.06996	5.5
119.08557	9.5
121.06516	2.2
125.06028	2.1
127.07536	5.1
128.06224	2.0
129.07021	12.5
131.04922	3.5
131.08533	9.6
133.10141	7.2
135.11659	2.6
136.06161	7.5
137.05989	5.7
141.06972	13.5
142.07756	4.2
143.08548	17.3
145.06409	2.1
145.10121	16.3
146.07249	1.9
147.04431	2.1
147.08005	1.9
147.11673	4.2
149.05855	2.0
155.08522	25.3
157.10078	8.6
159.08067	2.0
159.11697	3.0
161.05977	2.8
167.08527	3.2
168.09340	2.4
169.10109	15.8
171.11691	10.3
173.05959	2.4
173.09604	2.7
175.07504	8.0
179.08414	2.0
182.10904	4.6
183.08081	3.8
183.11661	35.7
183.13292	2.0
184.12338	2.0
185.13278	5.6
187.07516	2.0
187.58441	2.0
189.09128	6.1
191.10649	6.8
193.10013	1.9
195.06523	32.8
195.11615	2.3
196.06856	2.4
197.09570	3.2
197.13231	44.7
199.14830	4.4
211.11182	12.3
211.14966	1.8
213.07539	12.7
215.10629	3.8
215.14514	1.8
225.12871	13.7
225.16351	52.5
227.02852	1.9
227.17946	14.5
229.12216	19.4
235.14738	3.1
239.07088	1.7
243.13780	18.5
243.17393	10.6
253.15872	20.8
267.06586	2.6
267.09732	2.8
268.06564	1.7
271.10214	3.0
271.16913	100.0
272.17221	2.8
299.05667	5.9
299.09171	4.9
299.12769	29.2
299.16440	9.1
299.19946	4.6
300.12915	2.8
324.39563	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1275
Annotation	(+)-6,8-Di-C-methylpinocembrin 5-methyl ether
Peak:m/z	Relative Intensity
53.03938	0.9
55.01852	0.5
55.05493	2.5
55.46564	0.5
57.03406	1.2
57.07063	1.7
60.04530	3.6
65.56007	0.5
67.05484	2.7
69.03426	1.2
69.07059	1.4
71.08630	1.2
71.73116	0.6
71.73472	0.7
72.08145	0.8
79.05500	3.2
81.03407	0.8
81.07051	27.4
82.07391	0.6
83.01334	16.0
83.04980	4.1
83.08586	1.3
85.06530	0.6
90.41482	0.5
91.05467	2.4
93.07049	3.5
95.04946	1.9
95.08585	2.5
97.02868	0.6
97.06529	3.4
97.10147	1.1
99.08102	1.6
105.07003	2.2
107.08556	1.3
109.06513	10.6
109.10153	1.5
111.04453	3.3
119.08565	2.6
121.06477	1.7
123.11634	0.8
124.05167	0.6
125.05997	8.2
127.07539	18.2
131.04907	1.8
131.08568	0.7
135.08086	0.7
135.11690	0.8
136.06165	0.7
139.07529	0.9
145.10056	1.7
147.04427	0.9
149.05957	6.6
152.04680	4.7
153.05424	5.7
157.10112	0.7
167.03378	1.3
167.07019	3.2
177.05463	5.7
180.04201	1.0
195.06517	100.0
196.06892	1.4
211.14615	0.6
213.07568	43.3
214.09924	0.8
257.11661	1.3
298.27353	1.2
299.05872	2.8
299.12756	64.6
299.27673	2.7
300.12912	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1276
Annotation	(+)-6,8-Di-C-methylpinocembrin 5-methyl ether
Peak:m/z	Relative Intensity
53.03932	0.5
55.05488	1.2
57.07055	0.5
67.05489	0.9
68.99783	1.2
69.03401	0.6
69.07047	1.0
70.30519	0.8
70.30935	1.7
76.40252	0.5
79.05491	3.0
81.07044	24.0
83.01334	16.7
83.04966	3.5
85.10166	0.9
91.05461	1.8
93.07035	2.3
95.04930	0.7
97.06514	2.1
99.08058	0.5
105.07006	0.9
107.04953	0.5
107.08569	0.5
109.06497	7.6
109.31348	0.5
111.04417	2.7
119.08545	0.8
121.06478	0.6
123.08117	0.5
125.05978	7.9
127.07539	19.4
129.05502	0.4
131.04912	1.7
133.10120	0.7
135.11678	0.6
136.06194	0.5
139.03886	0.5
143.03389	0.5
144.36208	0.5
145.10069	0.6
146.05357	0.5
149.05946	5.4
152.04652	5.9
153.05463	4.8
157.04863	0.7
157.10141	0.4
165.01787	0.4
167.03276	0.7
167.07013	2.9
177.05470	6.1
177.87067	0.4
189.46182	0.5
195.06506	100.0
196.06854	1.7
213.07558	38.5
214.07947	0.8
257.11682	1.2
281.26846	0.9
299.05652	1.4
299.12741	65.2
300.13138	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1275
Annotation	Combretastatin D4
Peak:m/z	Relative Intensity
51.77931	1.7
65.68044	1.4
66.92809	1.4
71.30695	1.8
71.31039	2.8
81.07047	12.7
83.01323	11.7
83.04972	2.3
93.07042	1.7
95.08553	2.3
109.06490	5.3
116.84642	1.4
119.08552	3.3
125.06009	3.4
127.07520	10.0
149.05963	4.2
152.04660	2.8
153.05521	3.4
177.05479	2.4
195.06523	100.0
213.07571	53.6
213.09621	3.4
257.11905	2.0
293.82907	1.4
299.12762	93.0
299.20074	3.5
300.13196	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1274
Annotation	(+)-6,8-Di-C-methylpinocembrin 5-methyl ether
Peak:m/z	Relative Intensity
51.96218	1.8
53.25611	1.7
55.05479	1.8
58.72788	1.4
69.07055	2.0
71.16683	4.3
79.05485	4.0
81.07052	25.6
83.01342	17.2
83.04940	3.2
91.05455	3.4
93.07033	2.4
97.06513	2.5
105.07012	2.4
109.06512	7.5
111.04447	3.7
112.08747	1.9
116.42276	1.6
119.08547	3.4
121.06459	2.1
125.05959	6.5
127.07555	22.5
131.04922	2.0
149.05940	5.4
152.04649	6.1
153.05435	4.9
167.03366	2.6
167.06972	3.7
177.05441	4.0
195.06516	100.0
201.03003	1.5
207.33669	1.8
213.07550	39.8
218.01396	1.8
257.11441	1.8
271.87347	1.8
299.09412	2.4
299.12741	59.0
299.16278	2.8
299.19977	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	299.1275
Annotation	(+)-6,8-Di-C-methylpinocembrin 5-methyl ether
Peak:m/z	Relative Intensity
53.03931	0.8
55.05500	0.9
57.03423	1.3
57.07078	2.6
63.32119	0.4
67.05485	1.5
68.99778	1.2
69.03403	0.7
69.07048	1.3
69.42471	0.4
71.08620	1.8
71.61610	0.3
71.74605	0.5
72.08152	0.4
78.07213	0.3
79.05487	2.8
81.07050	22.1
83.01331	16.2
83.04967	4.1
83.08614	1.1
85.10159	1.1
91.05452	1.9
93.07047	2.5
95.04934	0.4
95.08585	1.7
97.06529	2.4
97.10138	0.5
99.08055	1.3
103.05448	0.5
105.07001	0.6
107.08592	0.7
109.06514	8.2
109.10147	1.1
111.04424	2.5
119.08572	1.0
121.06461	1.5
124.05142	0.4
125.05992	7.2
127.07547	18.4
131.04921	1.9
133.10144	0.8
135.04396	0.5
135.11652	0.4
136.06261	0.4
137.00755	0.4
139.03908	0.5
143.08586	0.5
149.05975	5.9
152.04663	5.5
153.05441	5.8
157.04962	0.7
167.03336	0.8
167.07008	3.7
177.05484	4.6
190.02806	0.4
195.06516	100.0
196.06895	1.1
213.07562	50.6
214.08060	0.7
243.23276	0.5
253.19481	0.6
257.11676	1.6
281.19073	0.5
281.26535	0.5
299.05930	2.0
299.12750	65.2
299.19897	1.6
299.25870	3.3
300.13022	1.4
303.25818	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0533
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02366	0.1
52.08353	0.1
53.03940	0.3
55.01867	3.9
55.05488	0.2
57.03399	0.1
57.49116	0.1
59.04996	0.5
65.03922	0.1
66.07385	0.1
67.01837	0.1
67.05480	0.3
68.99416	0.1
68.99777	1.9
69.00139	0.2
69.03419	0.7
71.29810	0.1
71.75504	0.2
71.76176	0.1
72.08141	0.4
78.77682	0.1
79.01845	0.9
79.05464	0.2
81.03406	1.6
81.07037	0.3
84.08142	0.1
89.03922	0.4
91.05453	0.3
92.99745	0.5
93.07050	0.2
95.01308	0.1
95.04941	0.2
95.08617	0.1
97.02883	1.0
99.00801	1.2
105.07005	0.1
107.04935	0.1
107.95850	0.1
109.02889	0.5
109.06503	0.1
109.10126	0.2
111.00799	0.2
111.04423	0.1
113.02380	0.1
117.01846	0.1
117.03346	0.4
119.08573	0.1
121.02892	0.1
123.00755	0.6
127.03886	0.3
133.10072	0.2
134.03600	0.1
135.04396	2.7
136.06105	0.1
137.02332	9.7
139.03889	0.1
141.01811	9.8
142.02202	0.1
143.08527	0.1
144.66615	0.1
145.10052	0.1
147.00780	0.2
149.02275	0.1
153.01814	0.2
155.03378	0.5
156.21420	0.1
157.10136	0.1
161.05908	0.1
161.09576	0.2
163.03818	0.4
165.01820	38.1
166.02144	0.5
167.03403	0.1
169.06474	0.1
179.10648	0.2
183.02876	28.6
184.03291	0.4
195.06534	0.5
197.06010	0.2
199.03807	0.1
203.03374	0.3
213.07552	0.2
215.06952	0.1
221.04428	0.2
229.04758	0.1
243.06401	0.2
245.04306	0.1
253.04964	0.2
270.05289	0.1
271.06006	0.7
281.04211	0.1
283.05725	0.1
290.11169	0.1
297.04001	0.1
299.05469	100.0
300.06039	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	299.0911
Annotation	7-HYDROXY-8,4'-DIMETHOXYISOFLAVONE
Peak:m/z	Relative Intensity
54.71056	0.4
55.01762	0.5
67.05405	0.9
69.06975	0.6
70.06512	0.5
70.26825	1.3
81.03302	0.5
81.06918	1.8
83.01231	1.0
91.05390	0.4
93.06918	0.7
95.08487	0.6
98.20848	0.6
98.21368	0.5
102.62103	0.5
105.06870	1.4
105.07510	0.5
107.04871	0.6
108.88253	0.4
109.06387	0.4
109.10089	0.5
119.04855	0.8
119.08469	1.2
121.06360	0.5
123.00667	1.2
125.05882	0.4
127.07489	0.8
129.06866	0.6
132.05620	0.5
133.06345	1.4
134.07143	0.6
135.11624	0.7
135.89392	0.5
136.06062	0.7
137.02205	2.0
137.03159	0.5
141.06795	0.4
145.06303	0.4
147.04147	0.5
149.05832	0.7
151.00122	0.9
152.01047	3.4
153.01772	0.6
153.06763	0.5
157.06349	0.5
161.05959	3.9
168.05605	1.3
169.01247	0.9
169.06331	0.5
170.01990	1.6
171.07979	0.5
172.08743	0.5
182.07176	0.9
183.07936	1.8
185.05850	1.3
195.04556	0.6
195.06494	8.2
196.05092	1.2
197.06015	1.0
200.08308	0.6
210.06726	0.5
211.07581	2.1
213.05338	2.8
213.07468	2.8
221.54904	0.5
224.04628	0.8
225.05371	0.4
227.06924	1.8
228.07724	0.9
236.04588	0.5
239.07047	4.5
241.04932	4.1
243.10184	2.1
252.04077	0.9
253.04922	1.6
255.06538	2.3
256.07315	7.4
267.06506	0.6
269.04318	2.0
271.09653	0.5
273.07758	1.7
283.06088	0.6
284.06766	76.4
285.07224	2.4
299.09131	100.0
300.09512	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	298.2739
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97443	1.1
51.77219	1.0
54.20873	1.0
55.05264	1.5
55.05505	14.0
55.33241	1.3
56.05031	5.9
57.07051	2.9
58.02946	2.7
60.04509	3.3
67.05499	19.1
68.05009	2.8
69.07059	13.6
70.14407	3.7
70.14825	2.2
71.08632	1.5
71.24038	1.2
79.05495	12.1
80.04996	2.5
81.07047	16.5
82.06583	9.5
83.04940	1.3
83.08607	6.4
84.08160	1.2
86.06068	2.0
91.05468	6.9
93.07009	8.5
94.06565	4.4
95.04943	1.5
95.07342	1.4
95.08598	14.3
97.10155	3.6
98.06059	2.0
100.07597	2.5
105.07031	3.7
107.08565	4.0
107.24361	1.3
109.10159	3.6
119.08585	4.4
121.10123	4.5
122.09624	1.9
133.10075	1.6
135.11652	1.9
192.77374	1.4
250.25264	7.9
262.25272	3.2
280.26331	100.0
281.26651	6.0
298.27353	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0532
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01572	0.1
53.00310	0.1
53.03941	0.2
55.01865	3.9
59.04993	0.4
61.27272	0.0
63.72091	0.1
65.03932	0.2
67.01852	0.2
67.05493	0.1
68.99428	0.1
68.99774	1.9
69.03419	0.5
70.06595	0.0
70.25247	0.1
70.61007	0.2
71.93676	0.0
72.08141	0.1
77.61021	0.1
79.01845	0.9
79.05481	0.1
81.03406	1.5
81.07049	0.1
83.01341	0.1
84.08142	0.1
87.04449	0.0
89.03925	0.3
91.05481	0.1
92.99753	0.7
93.07057	0.1
95.04977	0.1
95.08595	0.1
97.02876	0.9
97.48125	0.0
99.00805	1.0
102.08818	0.1
107.04930	0.1
109.02851	0.6
109.06475	0.1
110.41174	0.1
111.00798	0.1
113.02330	0.1
114.34929	0.0
117.03368	0.3
121.02842	0.1
121.06569	0.1
122.99963	0.1
123.00751	0.6
127.03887	0.3
135.04395	3.1
135.11728	0.1
137.02327	9.8
137.03386	0.5
139.03880	0.1
141.01805	9.8
142.02162	0.1
147.00754	0.2
150.18684	0.1
153.01901	0.1
155.03366	0.5
163.03874	0.4
165.01813	37.2
166.02139	0.5
167.03447	0.1
173.06047	0.1
175.03751	0.1
183.02866	30.4
184.03249	0.4
185.03297	0.1
189.05412	0.1
195.06516	0.2
197.05952	0.1
201.05403	0.1
203.03424	0.3
206.04504	0.1
221.04413	0.3
225.05394	0.1
243.06534	0.1
245.04424	0.1
253.04951	0.2
271.05954	0.5
272.06821	0.1
281.04340	0.1
298.04654	0.1
299.05450	100.0
300.05914	3.3
306.57092	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	298.0966
Annotation	5'-Deoxy-5'-(methylthio)adenosine
Peak:m/z	Relative Intensity
58.55717	0.2
59.13103	0.2
61.01144	4.6
61.79852	0.2
69.03398	0.2
69.22885	0.2
71.26606	0.3
71.26971	0.3
75.02693	2.7
94.04041	0.7
96.49778	0.2
97.02892	1.2
103.02145	0.3
103.45605	0.2
119.03521	0.7
136.06169	100.0
137.04562	0.5
137.06631	0.9
145.03175	1.3
163.04230	1.2
298.09622	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.2738
Annotation	(+)-Lepadin D
Peak:m/z	Relative Intensity
50.12543	0.7
53.03930	2.2
54.33817	0.6
55.05508	14.7
56.05032	8.2
57.03427	1.3
57.07071	5.5
58.02942	1.7
60.04525	6.8
61.01134	0.7
61.86364	0.7
65.03937	1.5
67.04256	0.8
67.05499	27.5
68.05014	2.8
69.06699	0.8
69.07063	14.4
70.32856	3.2
70.84888	0.6
71.08627	3.4
72.04514	1.7
72.08153	1.0
79.05485	14.4
80.05007	3.2
81.03415	0.8
81.07053	26.0
82.06572	11.0
82.07334	0.7
83.01317	2.4
83.04971	2.0
83.08612	10.0
84.08134	0.9
85.10155	0.8
86.06062	3.3
91.05477	8.9
93.07038	10.3
94.06544	4.7
95.04979	1.5
95.07341	1.3
95.08008	1.2
95.08599	16.0
96.08114	3.4
97.06506	1.1
97.10156	4.0
98.06055	2.3
100.07599	1.9
105.07015	5.4
107.08598	4.8
108.08110	1.2
109.06485	2.6
109.10153	7.2
111.11725	1.0
112.07568	1.4
119.08600	4.9
121.10146	4.7
122.09642	1.4
123.11684	2.3
125.05969	1.7
127.07552	3.6
131.04938	0.8
133.10107	3.0
135.11681	2.7
136.06181	6.3
137.13239	0.8
140.10687	0.8
142.54622	0.6
147.11665	0.8
149.05978	1.4
152.04648	0.7
153.05406	0.9
165.01833	0.7
167.03398	0.8
177.05421	0.8
179.70679	0.7
195.06519	18.9
213.07565	8.1
250.25266	8.2
262.25287	4.7
280.26340	100.0
281.26669	6.9
298.19431	0.9
298.27386	3.1
299.05478	1.7
299.12668	10.8
299.19858	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2422
Annotation	9R-HODE
Peak:m/z	Relative Intensity
53.03933	3.8
55.01852	5.7
55.05504	58.6
55.60274	3.3
57.07061	15.4
65.03918	3.6
67.05497	80.2
69.03432	5.1
69.07057	57.9
70.70711	9.6
71.05001	4.6
71.08622	60.3
72.83150	3.4
79.05485	33.2
81.07044	100.0
83.04984	8.5
83.08611	37.5
85.06520	5.7
85.10191	6.2
91.05463	17.0
93.07027	34.9
95.08592	72.5
97.06519	12.2
97.10158	35.2
99.08081	49.5
101.44513	3.4
105.07030	17.4
107.08572	33.8
109.06523	4.0
109.10156	36.5
113.09594	4.1
117.07004	5.3
119.08562	11.4
121.10135	20.5
123.11663	14.5
125.09645	23.9
131.08528	10.4
135.11679	24.5
136.06174	13.5
137.13243	7.5
145.10121	6.9
147.11665	27.1
149.09532	3.8
149.13231	6.8
153.12695	14.7
159.11618	5.8
161.13283	5.6
163.11142	4.6
163.14822	16.7
165.12766	14.3
167.14343	6.6
173.11728	4.3
173.13240	7.1
181.12228	4.3
189.11220	17.3
223.16908	4.2
233.22391	4.0
243.21046	17.8
250.69853	4.0
261.22049	26.1
279.23074	76.0
279.25754	6.0
297.07736	3.9
297.15567	4.0
297.26404	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	297.9908
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96558	15.4
61.97065	1.5
65.32230	1.6
69.96166	3.6
71.95235	3.8
76.02592	1.5
80.46600	1.9
98.97571	93.3
100.40881	1.5
105.14554	1.7
113.20657	1.4
116.98611	67.7
119.01931	4.7
121.26196	1.5
123.80856	1.5
130.93243	2.1
131.96194	1.8
134.99641	28.7
140.00185	1.8
149.97151	3.0
153.00655	3.6
172.94322	4.1
174.00726	1.9
177.00926	7.6
190.95367	5.5
192.98720	2.3
208.96272	3.2
213.92413	1.9
214.95506	2.8
216.98628	3.7
219.01968	12.4
232.96454	9.0
234.99792	3.9
235.99905	3.1
250.97318	7.7
256.96472	12.8
258.47009	1.9
261.03064	19.4
273.94302	3.1
274.97452	100.0
275.04376	4.3
291.95267	1.8
292.55222	1.5
292.98471	82.3
297.99014	3.3
298.97534	2.5
316.00052	2.8
316.99033	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2422
Annotation	9(S)-HODE
Peak:m/z	Relative Intensity
55.05499	15.6
56.78074	3.2
57.03418	5.1
57.07067	9.7
58.13797	3.8
58.99149	3.8
62.06071	10.3
67.05499	40.7
69.07075	19.0
71.08248	7.1
71.08621	100.0
71.75334	5.1
79.05479	19.3
81.07046	62.4
82.07423	4.1
83.04961	7.8
83.08611	14.1
85.10138	3.9
89.06014	4.8
91.05471	19.6
93.07037	13.6
95.08603	39.1
97.06533	5.3
97.10147	6.5
99.08089	88.6
105.07030	16.6
105.08726	3.8
107.08588	15.3
109.10155	21.5
113.09633	5.4
119.08571	12.0
121.10144	20.9
121.10968	3.2
123.11704	6.5
131.08549	8.8
135.11719	9.7
137.13194	6.3
139.11183	4.6
145.10095	10.7
147.11670	53.1
149.09642	4.3
149.13258	4.9
151.11198	4.9
153.12772	8.3
159.11653	4.1
161.13322	5.1
163.11150	8.3
163.14803	14.9
165.12756	13.9
169.12259	6.5
173.13210	8.6
181.15881	8.5
243.21053	14.1
261.22150	18.0
279.23218	45.2
280.23627	4.2
297.07422	4.9
297.25345	5.2
297.29758	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	297.2421
Annotation	9(S)-HODE
Peak:m/z	Relative Intensity
51.07024	2.3
53.03946	5.4
55.01862	9.9
55.05505	78.8
57.03424	3.8
57.07061	8.8
67.05500	96.4
69.07060	54.1
70.93738	8.2
71.04971	6.2
71.08607	7.1
75.32911	2.6
79.05479	38.8
81.07047	100.0
82.07402	2.5
83.04973	6.6
83.08611	39.4
85.06541	6.6
91.05468	10.3
93.07028	38.4
95.04971	3.5
95.08597	74.1
97.06574	12.6
97.10162	56.1
99.08078	6.6
105.06995	6.4
107.08591	45.7
109.06435	2.9
109.10151	51.5
111.08090	5.8
111.11744	4.2
117.07031	5.5
119.08540	7.0
121.10112	15.5
123.11716	12.7
125.09614	32.3
131.08549	6.5
133.10121	7.3
135.08052	7.2
135.11670	25.3
137.09564	3.1
137.13228	13.8
145.10130	4.4
147.11684	11.1
149.13263	8.4
151.14809	5.4
153.12697	13.8
161.13202	6.3
163.11212	4.4
163.14793	7.9
171.10185	5.5
173.11743	6.3
173.13208	4.9
181.12231	3.1
187.14821	3.6
189.11212	28.0
189.56184	2.6
195.13820	3.3
219.21051	3.1
223.16943	2.9
233.22646	5.1
237.32744	2.7
243.21100	12.9
261.22128	34.0
279.23157	80.1
280.23590	3.9
297.24179	8.2
299.42419	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	297.2421
Annotation	(plusmn)12(13)-EpOME
Peak:m/z	Relative Intensity
55.05516	9.3
57.07070	28.5
57.66362	1.8
67.05505	33.5
69.07056	8.5
69.56878	5.5
69.57302	11.7
70.81753	1.9
71.04996	1.9
79.05487	10.5
81.07047	30.1
82.07356	2.8
83.04977	5.2
83.08611	8.5
85.06481	2.0
85.10175	77.2
91.05473	19.0
93.07050	16.6
93.48975	1.8
95.08593	21.2
97.06534	4.0
97.10147	5.3
99.08095	3.1
105.07036	8.6
107.08609	12.3
109.06507	4.0
109.10128	10.4
111.08081	6.3
113.09637	100.0
114.09966	2.8
121.10152	8.1
123.11730	2.1
131.08575	4.7
133.10118	45.2
135.11681	3.5
141.12743	2.6
147.11650	4.0
149.09616	8.2
149.13245	28.8
151.11183	7.3
153.12741	3.7
167.14296	16.9
181.15863	5.7
184.25581	1.8
233.22614	2.5
243.21054	10.5
261.22113	14.0
279.23163	41.4
280.23581	2.6
297.24353	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	297.1903
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	2.1
55.05495	3.2
56.05035	6.1
57.03422	1.8
57.07061	1.7
59.04992	12.0
61.01140	3.7
67.05508	3.2
69.03399	1.4
69.07064	2.8
70.06593	6.0
71.04972	1.9
71.08623	1.4
71.29893	3.0
71.30255	1.6
72.08143	6.4
79.05487	3.8
81.03388	2.0
81.07056	2.8
84.04501	2.0
84.08138	4.6
85.02905	1.3
85.06519	1.1
86.09696	6.2
87.04455	4.1
87.77485	1.2
89.06023	100.0
91.05477	4.8
93.07047	3.1
94.18865	1.3
95.04972	1.7
95.08612	3.3
97.02877	1.4
100.07616	1.3
103.05438	1.4
103.07579	2.8
104.05291	5.3
105.03374	4.3
105.07024	2.6
107.04980	2.2
107.07076	7.1
107.08601	1.6
109.06509	1.4
110.07193	2.2
117.07003	1.4
119.04958	1.7
119.08586	2.1
120.08099	4.8
121.02853	1.5
121.06485	1.4
121.10148	1.6
122.09596	1.3
125.99889	1.1
129.10204	2.5
130.08624	3.7
131.08525	1.2
133.08588	50.8
136.06177	16.0
136.07193	1.8
145.10072	1.2
146.06012	1.2
147.04369	1.5
151.09584	3.2
159.11691	1.6
161.09592	1.3
163.10623	1.6
166.08565	1.5
168.06567	1.3
177.11218	7.7
194.07265	1.5
195.12344	3.3
226.17854	1.2
233.12895	1.9
239.14856	14.4
261.12302	3.0
265.08572	2.7
266.99921	1.9
279.13382	2.4
280.11996	1.2
282.08737	1.5
283.02936	1.2
297.07568	7.4
297.11063	2.0
297.16235	3.9
297.18936	5.1
297.22043	2.3
298.16446	3.8
299.06213	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.075
Annotation	5-Methoxy-6,7-methylenedioxyflavone
Peak:m/z	Relative Intensity
50.35204	0.1
51.54922	0.1
53.03929	0.4
55.01862	0.2
55.05505	0.1
57.03390	0.2
65.03919	0.7
66.15959	0.1
67.05473	0.3
68.99786	0.6
69.03405	0.2
69.07039	0.2
70.18034	0.3
70.18444	0.3
71.04988	0.2
72.08122	0.4
79.05453	0.4
80.73322	0.1
81.03413	1.1
81.07018	0.2
84.08143	0.2
85.02878	0.3
91.05441	0.4
93.03395	0.8
93.07030	0.2
95.04961	0.9
95.08578	0.4
103.05466	0.7
105.03380	3.0
105.07016	0.3
107.04905	0.2
107.08543	0.2
109.02857	0.5
111.04370	0.2
119.08589	0.1
121.02847	2.4
121.08382	0.2
121.10098	0.2
126.21074	0.1
129.03360	1.6
131.04901	0.1
133.02820	0.4
134.75061	0.1
135.00768	0.2
135.04396	0.2
135.11746	0.2
136.06155	0.2
137.02299	0.2
138.03084	0.3
139.03857	0.1
141.01746	0.2
144.08028	0.3
146.09573	0.3
147.04382	0.8
147.09966	0.5
149.02325	3.2
151.03876	0.2
152.06143	0.1
153.01805	0.3
153.06960	0.2
155.08588	0.1
159.84811	0.1
161.11586	0.3
163.03891	1.1
165.01785	0.8
165.06976	0.3
166.02481	0.1
167.03386	8.2
167.08484	0.6
171.04361	0.2
177.01834	1.5
178.07848	0.2
179.03410	0.2
181.04903	0.4
181.06427	0.2
183.02890	0.6
183.07954	0.1
184.03603	0.2
186.06697	0.1
194.07233	0.1
195.02867	1.9
195.07951	0.5
197.05911	0.2
199.07527	0.3
205.06546	0.1
211.07533	0.4
212.08279	0.3
213.05447	2.4
223.07512	2.7
224.07948	0.1
225.09106	0.1
226.06224	1.1
231.06454	0.3
237.09135	0.2
239.06996	1.9
240.07738	1.8
250.06248	0.2
251.07011	16.6
252.07462	0.3
253.04892	0.4
253.08636	0.2
254.05714	4.0
255.06230	0.2
267.06491	11.5
268.07269	14.6
269.07950	1.5
279.06500	9.9
279.14240	0.4
280.06744	0.2
297.07547	100.0
298.07864	1.7
300.26935	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	297.1117
Annotation	Strobochrysin-dimethylether
Peak:m/z	Relative Intensity
55.01843	1.0
55.05494	1.2
56.96541	0.9
57.03422	0.7
61.39510	0.6
67.05487	0.6
67.94489	0.7
70.06571	1.3
71.74962	0.8
79.05483	0.7
80.65360	0.5
81.07041	1.2
83.04980	0.6
83.08574	1.0
84.08118	0.9
87.42871	0.6
95.04977	1.1
95.08547	0.8
107.04953	0.8
111.82584	0.6
121.06468	0.7
131.04875	1.1
136.06157	6.2
137.05972	1.9
145.06468	1.3
151.07498	1.1
153.06926	1.3
155.08426	0.7
159.04398	0.7
161.05963	1.7
165.06981	12.6
166.07755	11.9
167.08496	0.8
168.05600	0.8
169.06448	0.8
174.06783	1.4
176.06239	2.7
177.06941	6.6
178.07771	5.3
179.08522	4.5
181.06505	1.7
183.08043	2.1
190.07799	1.2
191.08566	1.1
193.06445	4.8
194.07253	32.4
195.08006	3.1
197.05992	0.8
198.06793	0.8
204.05685	1.3
205.06462	16.8
206.07202	2.9
207.08023	2.8
208.08751	0.9
209.09613	4.4
210.06755	0.9
211.07533	6.0
219.08034	2.8
221.05940	6.8
222.06738	24.2
223.07417	2.6
225.08955	1.1
226.06073	1.0
233.05908	6.2
234.06735	3.6
235.07465	2.5
236.08279	2.3
237.09079	27.4
239.06963	4.2
242.69867	0.7
247.07529	1.0
248.08295	1.0
249.05341	0.9
250.06230	7.8
251.07133	3.8
253.08578	1.9
254.09311	3.4
264.07928	1.5
265.08572	65.1
266.09198	4.1
266.11984	0.6
267.06442	2.8
269.11639	1.9
279.10217	3.0
281.08029	1.8
282.08789	7.3
283.02591	0.7
297.11185	100.0
298.11548	4.3
299.06201	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.0752
Annotation	3'-Methoxy-4',5'-methylenedioxyflavone
Peak:m/z	Relative Intensity
53.03929	0.4
55.01861	0.4
65.03932	1.0
67.05482	0.3
68.99789	0.6
70.06577	0.3
71.41935	0.2
79.05480	0.2
80.05797	0.1
81.03416	1.2
81.07038	0.3
83.01317	0.2
84.08115	0.2
85.02889	0.4
91.05452	0.2
93.03391	0.9
93.07034	0.2
95.01277	0.2
95.04958	0.8
95.08620	0.1
102.04674	0.2
103.05431	0.8
105.03375	3.1
105.07005	0.2
107.01298	0.2
107.04942	0.3
109.02857	0.4
109.10134	0.1
111.04445	0.2
115.05416	0.3
117.06976	0.1
117.23821	0.1
121.02851	2.5
121.06534	0.2
123.04417	4.0
127.03818	0.2
129.03340	1.9
129.06914	0.2
131.04909	0.4
133.02844	0.6
133.06474	0.3
135.04449	0.2
136.06145	0.4
137.05960	0.5
138.03128	0.4
139.03926	0.2
141.01735	0.1
141.06981	0.2
145.06448	0.2
147.04375	1.0
149.02327	3.1
151.03873	0.2
152.06143	0.4
153.01842	0.4
153.06929	0.2
155.04884	0.3
159.08060	0.3
161.05948	0.4
162.06639	0.2
165.01826	0.8
165.06964	0.9
166.02567	0.1
166.07727	0.5
167.03378	8.7
167.08548	0.8
170.01920	0.2
171.04430	0.3
175.07520	0.3
176.06239	0.2
177.01810	1.6
177.06982	0.5
177.36996	0.2
178.07730	0.3
179.08580	0.3
181.06496	0.5
183.02892	0.5
183.08025	0.3
184.03665	0.2
187.07542	0.6
189.06937	0.4
190.07758	1.1
191.08521	3.0
193.06512	0.3
194.07220	1.2
195.02864	1.8
195.08046	0.9
197.06087	0.2
199.07507	0.3
202.07921	0.2
205.06461	1.3
207.08075	0.3
208.08604	0.2
209.09612	0.5
211.07512	0.9
212.08266	0.4
213.05472	2.5
218.07271	0.6
219.08028	2.8
221.05942	0.5
222.06650	1.2
223.07510	3.1
224.08185	0.2
225.09029	0.4
226.06187	1.2
231.06412	0.3
233.06012	0.3
234.06584	0.3
235.07532	0.5
236.08185	0.5
237.09082	5.1
238.06050	0.2
238.09627	0.2
239.07005	2.6
240.07771	2.0
241.08470	0.2
247.07458	1.1
250.06096	0.9
251.07002	18.0
252.07507	0.4
253.04955	0.4
253.08646	0.5
254.05716	3.7
254.08681	0.2
254.09303	0.2
255.06200	0.2
264.07770	0.2
265.05756	0.3
265.08578	5.5
266.09320	0.3
266.12408	0.1
267.06494	12.8
267.09830	0.5
268.07263	16.0
269.08005	1.5
269.11319	0.3
279.06488	11.6
279.09717	0.6
279.23206	0.2
280.06754	0.2
281.08115	0.7
282.05374	0.2
282.08755	0.8
297.07568	100.0
297.11069	9.6
298.07892	1.9
298.11050	0.2
299.06256	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.075
Annotation	5-Methoxy-6,7-methylenedioxyflavone
Peak:m/z	Relative Intensity
53.03933	0.3
54.31794	0.2
57.20782	0.2
63.12659	0.2
65.03917	0.6
67.05502	0.3
68.99783	0.5
70.06619	0.2
71.42732	0.2
71.43060	0.3
79.05475	0.2
81.03413	1.0
81.07047	0.3
83.01334	0.2
84.08143	0.3
85.02898	0.4
93.03391	0.9
95.04955	0.4
103.05439	0.7
105.03371	3.1
105.07027	0.2
106.06550	0.3
107.04975	0.2
109.02848	0.5
115.05444	0.2
121.02853	2.9
129.03333	1.6
129.10179	0.3
131.04956	0.3
132.72504	0.2
133.02832	0.6
136.06166	0.7
138.03096	0.3
139.03854	0.2
147.04384	0.5
149.02325	3.0
152.06168	0.2
153.01817	0.2
164.05350	0.2
165.01849	0.7
165.06923	0.9
166.07770	1.1
167.03387	8.2
167.08611	0.5
177.01813	1.5
177.06906	0.3
178.07719	0.5
181.09998	0.2
183.08061	0.2
183.31200	0.2
184.03629	0.3
193.06575	0.3
193.80608	0.2
194.07248	2.0
194.08911	0.3
195.02829	1.8
195.07977	0.7
197.05983	0.3
205.06445	1.3
209.06012	0.3
209.09677	0.2
211.07533	0.7
212.08228	0.3
213.05432	2.1
219.07932	0.2
221.06049	0.4
222.06735	1.3
223.07486	3.3
225.09248	0.2
226.06264	1.3
231.06487	0.2
237.09061	1.5
239.06990	2.3
240.07808	2.0
250.06200	1.0
251.07007	17.3
252.07379	0.5
253.04886	0.4
253.08577	0.3
254.05725	3.5
265.08636	3.8
267.04172	0.2
267.06494	12.1
268.07266	14.8
269.07996	1.7
279.06497	11.2
280.07086	0.2
281.07996	0.3
282.08521	0.3
297.07562	100.0
298.07880	2.2
299.06210	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.0751
Annotation	5-Methoxy-6,7-methylenedioxyflavone
Peak:m/z	Relative Intensity
53.03908	0.3
65.03935	0.9
67.01853	0.7
67.05450	0.1
68.99776	0.6
81.03421	1.0
81.07005	0.1
83.01337	0.2
85.02850	0.3
93.03379	0.7
93.49722	0.1
95.04906	0.5
103.05455	0.9
105.03380	3.0
109.02881	0.5
115.05480	0.1
121.02048	0.2
121.02845	2.9
123.04413	0.2
124.01524	0.1
129.03348	1.9
131.04897	0.2
133.02806	0.5
136.06123	0.2
138.03084	0.3
139.03917	0.1
141.01791	0.2
147.04388	0.8
149.02322	3.8
152.06209	0.2
153.01805	0.3
153.06950	0.1
165.01807	0.9
165.06953	0.4
166.02655	0.2
167.03383	7.9
167.08527	0.4
169.06262	0.1
170.02086	0.2
171.04381	0.2
177.01849	1.7
177.07037	0.2
178.07664	0.2
181.06509	0.2
183.02849	0.5
183.08051	0.2
184.03636	0.2
186.06702	0.3
187.07500	0.1
194.07283	0.8
195.02847	1.7
195.08017	0.7
197.05951	0.3
199.07487	0.3
205.06454	0.5
211.07559	0.8
212.08226	0.4
213.05460	2.8
221.05902	0.1
222.06737	0.8
223.07512	2.9
225.09151	0.3
226.06242	1.1
227.06764	0.1
229.63388	0.2
231.06561	0.3
232.19418	0.1
233.06003	0.2
234.06725	0.1
237.09070	1.6
239.07001	2.3
240.07808	2.3
241.08423	0.2
250.06184	0.8
251.07014	18.3
252.07492	0.6
253.04872	0.5
253.08607	0.3
254.05717	3.4
257.73932	0.1
259.24506	0.1
265.08597	2.5
266.09213	0.1
267.06503	12.2
268.07278	15.4
269.07986	1.4
279.06503	10.6
279.08826	0.2
280.06815	0.3
282.05237	0.2
282.08765	0.3
285.54080	0.1
297.07553	100.0
298.04413	0.2
298.07886	2.7
298.11050	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	296.2582
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.4
55.01862	1.8
55.05505	8.8
56.05031	8.2
57.03428	1.3
57.07061	4.8
58.02951	3.7
60.04514	2.2
65.03924	1.7
67.04230	1.7
67.05502	19.3
68.05014	2.9
69.07063	6.9
70.04062	4.4
70.06586	2.6
70.45895	2.8
71.08619	3.7
72.04527	1.2
78.37842	1.0
79.05488	23.2
80.05012	6.6
81.03395	1.8
81.06607	1.2
81.07053	16.3
82.06130	1.9
82.06574	21.4
83.08611	3.8
84.04475	2.4
84.08167	1.2
91.05473	22.8
93.07044	17.2
94.06570	8.1
95.04967	3.7
95.07307	1.7
95.08611	12.0
96.08151	1.6
97.10168	2.2
99.08131	1.2
105.07028	12.5
106.06544	2.0
107.08588	7.3
108.08093	3.0
109.06500	1.8
109.10154	3.6
110.06062	1.1
112.07589	1.5
117.06984	6.1
119.08566	7.5
120.08091	2.8
121.10146	4.6
122.09659	4.2
131.08578	6.5
132.08119	2.6
133.08896	1.3
133.10120	3.2
134.09654	4.7
135.11691	3.2
136.11188	1.1
145.10092	1.5
146.09615	3.1
147.11572	1.2
148.11147	2.0
220.20584	1.1
243.21344	1.1
246.22202	3.2
248.23746	11.1
250.09967	1.8
258.22147	1.3
260.23734	7.1
265.12332	2.0
278.24783	100.0
279.25146	2.2
294.51431	1.2
296.22922	1.6
296.25769	4.0
299.06116	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	296.1855
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07121	2.7
53.00282	2.2
53.03927	3.4
53.26299	2.1
54.71710	2.1
55.05505	18.0
56.05016	4.4
57.03432	22.2
57.07092	2.9
65.03959	3.5
67.05497	69.1
69.07057	24.0
70.06578	6.3
70.90852	5.9
71.04989	5.0
72.04516	9.1
79.05489	48.7
81.03387	3.6
81.07049	100.0
82.07405	2.2
83.04978	6.1
83.08611	17.6
84.04498	7.0
84.08125	3.9
85.06551	4.4
91.05463	26.7
93.07036	67.6
95.04950	5.7
95.08587	22.2
95.24099	2.3
97.06496	12.6
97.10129	2.2
102.05552	15.3
105.07021	7.1
107.08583	41.9
109.10122	4.1
111.08078	8.1
117.07015	12.7
119.08592	3.6
121.06493	3.9
121.10150	17.8
123.11685	19.3
131.08551	12.8
133.10101	19.6
135.11685	12.2
149.13242	42.7
151.11131	4.6
159.11697	23.9
177.12729	10.4
186.12794	3.5
191.61977	2.0
194.07222	5.7
195.13805	42.7
204.13867	4.8
205.06502	3.8
213.14857	3.9
219.07982	2.6
221.06105	2.9
222.06790	6.2
222.14886	3.1
234.10370	3.1
235.07655	3.8
237.09084	5.5
239.06766	2.5
240.15863	13.8
250.09880	4.1
265.08685	15.4
265.12180	7.3
282.08945	2.8
283.02704	2.3
296.10034	7.0
296.15091	6.8
296.18506	60.3
297.07852	3.8
297.11172	26.9
298.82791	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	296.1855
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	2.6
55.01849	2.9
55.05503	18.6
55.35290	0.9
56.05035	5.8
57.03431	21.8
57.07046	2.9
58.35645	1.2
59.71842	1.0
65.03912	2.3
65.30217	1.0
67.05499	66.7
68.05002	1.9
68.05801	2.0
69.07060	23.1
70.06590	5.7
71.04987	6.0
71.08591	1.9
71.74566	1.3
72.04491	7.8
72.08131	3.4
79.05485	48.2
80.04990	1.1
81.03395	2.1
81.07048	100.0
82.07363	2.8
83.04955	5.0
83.08168	1.3
83.08607	16.2
84.04493	8.5
84.08123	1.6
85.06514	4.4
86.06055	1.9
86.09661	1.2
91.04940	2.0
91.05466	27.5
92.05792	1.6
93.07036	66.8
94.06527	1.6
94.07346	2.3
95.04946	8.6
95.08597	23.7
96.08128	1.9
96.08888	2.2
97.06507	8.2
97.10135	2.3
99.08060	3.0
102.04907	1.1
102.05528	19.9
102.06184	0.9
103.05413	2.7
105.07020	10.5
107.04911	1.6
107.08585	42.8
108.08116	1.1
108.08881	2.1
109.06461	3.7
109.10168	6.7
110.10420	1.5
111.08064	7.4
114.05430	1.4
116.07056	1.5
117.06997	10.7
119.08562	6.3
120.08032	3.2
120.08846	1.6
121.06493	13.8
121.09284	1.1
121.10122	21.0
122.09590	1.1
123.08025	1.4
123.10907	1.4
123.11703	21.1
124.11976	1.1
131.08556	11.1
133.09201	1.1
133.10126	17.1
135.08017	2.6
135.11676	9.6
136.07466	1.3
145.10036	1.6
147.11630	3.0
149.13245	34.9
150.12610	1.2
151.11145	2.7
159.11681	19.7
167.14259	2.1
169.10112	1.3
176.14302	7.8
177.12718	12.0
186.12801	2.9
187.11130	2.4
194.15410	1.5
195.13780	41.7
204.13831	6.2
213.14732	4.4
222.14830	4.6
235.07370	1.4
237.09090	1.9
240.15912	12.0
265.08438	4.2
265.12000	2.8
278.21793	1.9
296.10159	1.6
296.18439	54.2
297.07361	3.4
297.11005	4.5
297.18445	1.7
299.05930	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	296.1853
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94984	2.6
53.03945	5.2
55.05509	18.8
56.05017	5.2
57.03432	22.1
63.27533	2.5
65.03959	2.5
67.05496	61.6
69.07069	20.9
70.06588	4.5
71.04982	5.3
71.08634	2.4
71.75975	3.2
72.04501	9.7
79.05487	50.8
81.03430	3.0
81.07048	100.0
83.04969	4.9
83.08620	19.1
84.04499	10.8
84.08140	6.2
85.06564	3.6
86.09743	2.8
91.05459	26.4
93.07035	70.0
95.04955	6.0
95.08590	17.5
97.06553	5.5
102.05516	17.2
103.59104	3.0
105.03415	3.3
105.07020	8.3
107.04932	2.8
107.08591	40.4
109.06513	4.1
109.10154	6.0
111.08086	5.5
116.98573	3.8
117.07034	10.6
120.08139	4.4
121.06450	4.5
121.10140	22.2
123.11684	21.4
129.10165	2.8
131.08572	9.6
133.10123	18.6
135.11703	12.0
145.06480	2.5
149.05905	2.8
149.13248	42.4
151.11177	3.5
158.99585	4.0
159.11696	22.0
165.06982	5.9
166.07764	5.0
169.10120	3.2
177.06950	2.9
177.12755	15.9
179.08574	6.4
186.12791	5.7
187.11269	2.4
193.06520	3.4
194.07251	11.5
195.13766	44.9
198.31985	2.6
204.13919	6.0
205.06516	7.1
213.14806	3.3
221.05890	4.8
222.06728	12.7
222.14963	5.6
223.07571	3.1
233.06145	3.6
234.06798	2.5
235.07544	3.9
236.08209	2.8
237.09079	13.2
239.07007	5.0
240.15942	9.8
248.71625	2.7
250.06281	2.8
250.09810	4.6
251.07095	8.3
253.08615	3.0
265.08600	33.0
265.12265	7.4
266.09323	3.2
267.06448	5.6
268.07248	3.4
278.13730	2.9
279.06699	4.0
281.08066	3.8
282.08820	5.0
296.10184	9.0
296.15103	7.0
296.18506	54.0
297.07587	33.8
297.11221	50.1
297.18787	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	296.1852
Annotation	Serratanidine
Peak:m/z	Relative Intensity
53.03936	1.3
55.01850	1.0
55.05506	10.4
56.05825	1.5
57.03411	1.0
57.07054	1.1
58.07401	0.7
60.41718	0.6
67.05498	7.5
68.05017	5.0
68.05811	1.7
69.03421	3.1
69.07061	4.8
71.04984	1.0
71.08608	1.9
72.08157	1.6
79.05474	4.1
79.90800	0.6
80.05007	18.2
80.05784	1.2
81.07043	7.5
82.07374	2.1
83.04964	1.5
83.08596	3.3
84.08966	0.6
84.27931	0.6
85.06532	0.7
87.03957	1.0
87.04456	17.4
91.05470	2.5
92.05790	1.0
93.07027	2.6
94.06577	1.4
94.07328	1.8
95.04990	1.6
95.08615	3.4
96.08920	1.5
97.06543	0.7
97.10167	2.5
98.10480	1.0
98.20705	2.0
99.08108	1.3
100.08437	0.7
105.07014	2.6
106.06538	1.5
107.08566	3.9
108.08118	1.0
108.08884	1.0
109.10117	0.9
110.10453	0.6
111.08066	1.3
117.06989	0.8
118.06509	2.9
119.08541	1.8
119.31322	0.8
120.08080	3.4
120.08875	1.3
121.10142	1.1
125.09575	1.7
126.09924	0.7
131.08594	0.7
134.10452	1.0
136.07559	17.8
147.11681	0.8
148.07552	100.0
149.07904	2.0
149.13219	0.8
154.08574	1.0
162.09109	4.3
166.08621	9.8
174.12750	1.0
176.10573	1.0
188.10686	1.3
189.11140	0.8
192.13835	2.9
194.16304	0.8
200.10716	0.7
210.14880	1.4
232.16914	1.4
235.07690	0.6
242.15410	4.1
250.10014	0.8
260.16431	55.4
261.16852	1.6
265.12164	1.3
278.17462	9.5
278.22037	4.6
296.18549	84.4
296.22653	5.0
297.07608	0.8
297.19046	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	296.1489
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.6
65.03925	0.7
66.11830	0.6
70.06548	0.7
71.19797	0.8
71.20135	1.4
75.04455	2.8
76.04475	0.6
79.05468	2.1
81.03403	1.2
91.05479	0.6
98.06055	1.5
98.61027	0.7
103.05441	1.7
105.03381	2.7
105.07016	12.6
117.05741	1.0
119.08526	1.0
120.08083	1.0
121.02834	2.2
123.08058	2.2
129.03336	1.4
130.08621	1.7
131.07295	9.5
132.08095	5.4
133.07524	0.8
144.08057	1.6
145.08870	3.5
146.09633	53.6
147.09935	1.1
149.02332	3.5
158.09641	5.7
160.07616	1.4
160.11197	21.0
165.01894	0.8
167.03389	7.9
175.09956	0.9
177.01825	1.3
188.10674	4.0
190.12219	1.5
192.10181	4.5
192.13907	0.6
194.99712	0.6
195.02863	2.4
207.08289	0.7
213.05411	2.5
218.11690	3.6
220.13292	1.0
223.07526	2.7
226.06194	1.0
239.06924	1.9
240.07832	2.9
246.11197	0.9
250.14326	4.7
251.07018	18.1
254.05788	3.5
267.06500	10.6
268.07254	15.2
269.08264	1.3
278.13852	12.3
279.06494	10.4
297.07553	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	296.1855
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.8
54.17700	1.8
55.05507	21.5
56.05024	4.4
57.03432	28.5
57.07062	3.5
65.03918	2.6
67.05133	3.0
67.05499	61.4
67.52187	2.0
69.07061	24.5
69.98603	11.2
70.06590	4.0
71.04996	7.2
71.92757	1.8
72.04507	8.4
78.93002	2.0
79.05491	52.0
81.03391	3.6
81.07050	100.0
82.06557	1.9
83.04974	6.9
83.08597	18.9
84.04488	11.4
84.08186	2.4
85.06532	5.4
91.05474	29.4
93.07039	78.4
95.04964	5.0
95.08598	19.4
97.06516	10.6
99.08067	3.1
102.05534	18.9
105.07043	9.6
107.04937	2.4
107.08588	40.8
108.08124	2.7
109.06531	2.4
109.10169	5.4
111.08046	4.9
117.06995	15.7
118.06550	2.9
119.08596	4.5
120.08102	4.5
121.10140	20.1
123.11689	17.4
131.08580	11.2
133.10118	22.1
135.11685	12.7
149.13246	46.3
151.11134	2.3
159.11676	21.5
169.10077	3.1
174.01639	2.3
176.14342	2.6
177.12785	11.2
186.12776	3.5
187.11232	2.6
195.13780	40.4
204.13841	7.9
206.11714	2.6
213.14845	3.3
222.14902	5.9
235.07501	2.4
240.15959	12.3
249.31595	1.8
250.09828	2.5
253.08604	2.3
254.93013	1.9
265.08630	3.1
272.67667	2.0
278.13828	2.1
296.10068	4.1
296.18564	63.1
297.11273	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	296.116
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	4.5
55.05487	0.7
56.05030	0.6
57.07060	2.0
57.41144	0.5
58.99566	2.7
59.04980	2.1
61.01119	1.0
67.05494	1.8
67.10650	0.5
69.07044	2.2
70.06572	2.4
70.99106	1.8
72.04514	4.7
72.08133	0.9
73.02909	3.2
74.99059	1.3
75.02699	6.8
83.04955	1.0
84.04481	1.0
84.08138	3.2
85.01127	4.3
85.02874	0.7
85.06528	3.6
86.09689	3.6
86.11877	0.5
86.99045	1.8
87.10035	1.0
89.00616	0.9
95.04951	1.3
95.06055	0.5
102.03748	2.6
102.98515	3.3
103.02155	70.7
103.07562	2.0
107.04942	0.7
108.66808	0.6
112.07597	2.3
113.05979	0.8
120.08098	0.7
120.99548	17.7
129.10204	0.9
130.08601	0.8
131.01590	3.2
135.04478	0.5
136.06149	1.2
136.07596	0.9
138.09123	0.8
145.05020	0.7
149.02663	100.0
150.03041	0.7
156.10197	2.0
163.03888	1.5
166.05327	31.8
168.81349	0.6
174.11235	7.4
192.03201	1.1
232.10039	0.8
250.11050	1.7
260.09567	1.9
265.12302	0.8
266.99930	0.7
278.10620	6.6
278.13821	1.1
283.03104	1.2
296.11633	30.2
296.14911	1.4
299.06180	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	296.0657
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05025	0.8
56.13519	1.1
60.08154	6.3
68.80854	1.0
71.07354	4.3
71.15267	2.2
71.88274	1.0
86.09174	1.3
86.09698	26.3
104.10732	100.0
108.45357	0.9
139.68022	0.9
169.73358	1.0
171.55727	1.1
236.99220	23.7
296.06567	20.3
306.73877	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	296.1158
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.3
55.01855	5.5
55.05510	8.0
55.84291	1.3
56.02194	1.8
56.05836	1.3
56.96557	1.6
57.07072	2.7
60.96565	1.4
67.05500	8.7
68.05850	1.2
69.07056	7.4
70.04071	100.0
70.07407	1.5
72.04255	1.4
72.08187	1.5
79.05468	4.7
80.05821	1.5
81.03409	1.2
81.07050	7.9
82.07381	4.5
82.36312	1.2
83.04985	1.8
83.08603	4.9
84.08944	2.8
91.05462	5.0
92.05790	2.9
93.07049	6.2
94.07361	2.9
95.05011	1.1
95.08593	5.1
96.08920	2.2
97.06502	4.9
98.06848	1.5
99.08081	4.5
105.07006	2.4
106.07362	1.6
107.08585	2.9
108.08928	2.6
109.06481	1.6
109.10178	1.7
110.06827	1.4
111.08080	2.2
113.09629	1.3
117.64597	1.2
120.08878	1.8
121.10126	3.2
122.10410	2.2
132.01219	1.1
133.10152	1.6
134.10483	1.7
135.11699	3.1
148.11971	2.1
150.13690	1.5
165.12726	1.4
166.13074	1.4
213.62900	1.2
234.10123	1.5
250.09956	1.9
252.97990	1.3
260.20953	1.9
264.11240	3.7
265.12177	2.2
273.11832	2.4
278.21994	11.4
296.22980	5.5
296.25662	3.2
308.45944	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2265
Annotation	13-OxoODE
Peak:m/z	Relative Intensity
51.76693	2.9
53.03928	12.9
55.01872	24.1
55.05502	37.7
57.07057	7.2
57.13207	2.8
60.27662	3.2
63.96084	3.0
64.46180	3.7
67.05499	52.9
69.07062	44.5
69.53354	23.2
69.53774	5.8
71.04974	5.2
71.08627	8.2
79.05484	39.8
81.03416	43.1
81.07050	67.1
83.04971	25.2
83.08613	21.0
85.06525	4.5
85.10184	9.4
91.05454	30.5
93.07036	55.3
95.04948	31.1
95.08599	39.9
97.06511	7.9
97.10166	10.7
99.08089	3.6
105.07018	28.6
107.04922	3.8
107.08572	27.2
109.06515	9.1
109.10143	14.5
111.08057	12.6
113.09656	7.1
117.06985	4.4
119.08558	16.5
121.10146	20.7
123.08051	4.5
123.11703	10.9
125.09619	14.2
127.04636	2.9
131.08546	7.1
133.06421	3.5
133.10133	16.0
133.28548	3.4
135.08043	5.9
135.11632	15.6
139.11140	11.8
145.10121	6.7
147.11716	20.6
149.09622	7.3
149.13258	9.9
151.11192	21.7
153.09140	4.2
161.13190	14.7
163.14816	5.2
165.12743	23.5
170.86807	3.3
171.11578	4.5
175.11058	4.4
175.14789	6.6
179.14319	7.9
185.13306	3.8
221.15340	4.2
231.21063	9.3
233.01836	3.2
241.19472	4.5
249.22009	7.9
259.20599	8.1
277.21594	100.0
295.05930	4.7
295.22623	46.7
301.48752	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	295.2265
Annotation	9-Oxo-10,12-octadecadienoic acid
Peak:m/z	Relative Intensity
53.03921	5.0
53.04137	1.1
55.01849	3.7
55.05502	18.9
57.03419	3.0
57.07050	4.9
59.34803	1.1
67.05141	2.0
67.05495	40.5
68.52198	1.1
69.03404	2.5
69.07061	19.0
71.04983	2.6
71.08623	24.1
71.48611	2.3
73.06557	1.3
73.41107	1.3
79.05483	20.7
81.03410	19.1
81.07041	26.8
83.04971	9.6
83.08617	6.5
85.06498	3.9
86.09689	1.8
91.05470	13.1
93.07030	29.8
95.04963	17.9
95.08597	24.9
97.06499	7.1
97.10133	4.1
99.08076	15.4
105.07006	8.3
107.08573	11.8
109.06503	3.9
109.10146	11.9
111.08071	2.6
117.06962	2.2
119.08572	9.2
121.06497	1.4
121.10126	9.1
123.08048	3.5
123.11678	2.9
125.09621	1.8
127.11184	2.0
131.08496	2.8
133.10103	5.3
135.07990	1.3
135.11647	4.8
137.09631	9.9
137.13307	1.2
139.11131	3.8
143.08479	1.2
145.10106	3.6
147.11664	3.9
149.13260	3.3
151.11159	22.1
159.11676	2.3
161.13242	5.1
163.11128	3.4
163.14832	1.1
165.12746	3.7
179.14296	6.2
184.07278	2.7
185.13228	1.5
203.12784	2.7
221.15448	6.3
231.21013	1.4
241.19463	1.5
249.22035	3.0
259.20474	2.1
277.21591	75.8
295.22650	100.0
296.22928	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2265
Annotation	(11R)-Hydroxy-6(Z),9(Z),12(Z)-octadecatrienoic acid
Peak:m/z	Relative Intensity
53.03930	8.7
55.01860	7.4
55.05508	40.4
57.03414	6.4
57.07047	8.0
57.32877	2.8
59.09100	2.9
67.05498	100.0
67.41972	2.8
69.03400	4.8
69.07064	31.4
70.94103	7.4
71.04973	7.3
71.08618	26.3
77.18064	3.4
79.05493	43.5
81.03414	24.2
81.06608	4.1
81.07050	59.7
82.21597	3.4
83.04964	10.7
83.08614	25.8
91.05450	21.9
93.06507	4.1
93.07034	50.9
94.04152	3.3
95.04961	17.5
95.08592	47.9
97.06500	11.1
97.10149	23.4
99.08064	20.4
105.07027	24.9
107.04919	4.4
107.08578	40.9
109.06504	9.2
109.10143	30.8
111.08081	7.4
117.07023	5.4
119.08573	16.0
121.10133	19.6
122.03629	5.0
123.08075	5.8
123.11684	6.5
125.09593	14.9
131.08553	7.7
133.10126	13.6
135.08038	8.0
135.11679	17.9
137.05957	76.2
138.06291	71.9
139.11145	6.9
141.12730	3.5
143.08536	3.5
143.10623	2.7
145.10141	8.5
147.11684	9.2
149.13234	11.2
151.11121	26.3
153.09183	3.4
157.10089	4.0
159.11621	4.4
161.13235	10.6
163.11176	7.8
165.12735	8.8
171.11667	4.3
173.11626	3.4
179.14313	7.3
185.13177	4.5
189.11238	17.0
189.12625	3.2
192.37511	3.8
221.15411	3.4
231.20993	4.3
241.19463	7.1
259.20520	16.0
277.21594	83.8
295.22748	17.3
308.30173	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	295.2265
Annotation	13-OxoODE
Peak:m/z	Relative Intensity
53.03934	32.2
55.01863	12.5
55.05502	40.1
57.07062	11.8
63.00270	3.5
63.99696	3.8
64.57062	3.9
65.73627	4.3
67.05495	75.7
69.07056	62.6
70.58500	12.8
71.08595	4.9
79.05491	53.1
81.03408	99.5
81.07043	74.5
83.04968	20.6
83.08604	13.1
84.55423	3.7
85.10168	4.3
88.31891	4.2
91.05464	28.4
93.07028	44.4
95.04950	56.5
95.08589	27.2
97.06512	6.2
97.10147	9.9
99.08060	8.4
105.07015	39.0
107.08578	41.8
109.06479	9.4
109.10156	20.0
111.08085	5.8
117.06937	4.5
119.08566	17.7
121.10143	9.8
123.08073	5.9
123.11691	10.8
125.09624	11.4
131.08554	6.4
133.10129	24.7
135.08060	7.4
135.11700	11.0
147.11629	19.6
149.13257	9.7
151.11172	69.9
153.09079	6.7
157.10158	5.8
161.13229	17.5
163.14842	5.8
165.12764	13.6
175.14751	4.3
179.14326	7.1
207.13800	5.6
231.21080	16.5
241.19411	7.6
259.20673	8.5
277.21576	100.0
295.22845	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	295.2263
Annotation	13-OxoODE
Peak:m/z	Relative Intensity
53.03943	5.8
55.01870	32.6
55.05506	47.9
57.07048	14.0
58.32612	4.2
58.41209	5.5
65.03885	5.8
67.05178	6.7
67.05499	73.2
69.03414	4.8
69.07063	36.9
71.08626	59.8
79.05489	54.7
81.03393	14.4
81.06604	6.4
81.07050	91.0
83.04972	29.8
83.08624	28.0
83.77454	4.7
85.10183	14.4
85.45794	4.9
91.05471	36.5
93.07034	58.5
95.04946	20.9
95.08587	56.8
97.06535	26.9
97.10146	9.9
98.20805	29.5
98.21488	10.1
99.08067	45.2
105.07018	31.5
107.04925	11.7
107.08581	31.8
109.06514	9.9
109.10144	23.7
111.08075	16.3
113.09657	14.7
113.62168	5.6
117.07014	10.7
119.08554	20.7
121.10114	19.7
123.11664	5.1
125.09603	15.9
128.50969	5.1
129.06958	7.5
131.08495	5.4
133.10098	15.8
135.11707	28.9
137.09557	11.5
139.11134	8.2
143.08556	6.3
145.10094	7.8
147.11681	19.0
149.13246	11.7
151.11206	41.9
153.12703	11.1
159.11768	7.8
161.09489	5.2
161.13240	26.5
163.11162	14.9
163.14728	6.3
165.12660	11.0
167.10645	30.5
171.11708	10.4
173.13199	10.4
175.14777	10.4
179.14270	24.6
189.12758	7.2
199.14655	6.6
207.13634	5.9
221.15431	6.4
229.88283	7.2
229.90402	5.2
237.88710	4.9
241.19559	12.2
249.22108	10.6
259.20456	10.4
277.21591	100.0
295.22571	29.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2265
Annotation	9-OxoODE
Peak:m/z	Relative Intensity
53.03935	5.9
55.01866	38.7
55.05272	3.5
55.05508	47.4
57.07060	8.3
67.05499	75.3
69.03405	6.0
69.07058	28.3
71.04984	4.8
71.08627	32.7
71.23924	7.2
79.05489	43.7
81.03400	14.7
81.07048	67.7
83.04978	16.1
83.08615	25.2
85.06544	4.4
85.10152	8.1
91.05470	39.1
93.07039	44.9
95.04954	19.6
95.08007	3.2
95.08595	48.9
97.06503	13.2
97.10172	13.4
99.08082	26.6
105.07012	25.4
107.04969	6.3
107.08585	32.6
109.06503	8.1
109.10155	23.3
111.08089	27.2
113.09611	9.3
117.07011	6.0
119.08554	22.1
121.10126	20.7
123.08060	8.3
123.11657	5.3
125.09621	9.7
129.06963	2.9
131.08545	6.0
133.10121	18.0
135.11671	11.3
137.09578	7.5
139.11137	7.5
139.72929	2.5
145.10080	4.3
147.11693	22.6
149.09615	9.5
149.13217	14.1
151.11177	26.7
153.12788	5.4
157.00978	2.4
157.10046	4.7
159.11688	4.4
161.13284	12.3
163.11142	12.2
163.14777	4.1
165.12720	23.7
167.61926	2.4
171.11674	4.8
173.13225	4.7
175.11154	4.6
175.14828	5.2
177.12778	2.7
179.14250	10.0
181.12234	2.4
185.13213	6.2
189.11221	6.0
231.20950	4.7
241.19514	7.0
249.22125	10.4
259.20535	10.9
277.21597	100.0
295.22690	52.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2265
Annotation	13-OxoODE
Peak:m/z	Relative Intensity
53.03919	7.0
55.01863	10.9
55.05505	40.2
57.07062	30.6
67.05499	40.0
69.07060	25.8
70.20188	14.8
71.04973	6.7
71.08635	7.7
79.05479	34.9
81.03405	25.3
81.07040	63.7
82.32635	4.1
83.04984	22.6
83.08614	22.0
85.10175	87.9
91.05481	42.2
93.07014	38.9
95.04959	22.9
95.08614	43.8
97.06512	12.7
97.10131	4.4
99.08071	5.2
102.76922	4.1
105.07030	28.3
107.04933	20.8
107.08585	20.8
109.06476	6.6
109.10158	11.1
111.08047	8.1
113.09632	100.0
119.08562	15.2
121.10120	16.1
123.08032	8.2
123.11669	6.7
125.09670	7.0
129.07004	6.4
131.08549	9.5
133.06540	4.0
133.10110	12.1
135.11671	12.0
137.09657	5.7
147.11678	14.3
149.09579	15.5
149.13243	10.2
151.11279	5.8
153.12753	6.0
161.13243	12.7
162.68880	4.0
163.11156	14.0
165.12758	67.4
175.03813	5.0
175.11159	9.9
175.14774	5.8
179.14322	9.9
191.14162	4.4
241.19601	4.3
249.22072	4.9
259.20502	5.8
277.21594	64.2
295.22723	35.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2264
Annotation	13-OxoODE
Peak:m/z	Relative Intensity
53.03963	5.1
55.01863	5.7
55.05499	22.1
67.05496	59.6
69.07051	26.8
70.07063	26.5
71.08630	49.7
74.30917	4.6
74.70343	4.0
75.20208	4.7
79.05491	63.9
81.03423	8.0
81.07045	58.7
83.04965	12.9
83.08601	13.1
84.35834	4.8
86.59059	4.0
91.05461	29.6
93.07037	73.2
95.04966	13.7
95.08607	41.0
97.06549	8.4
97.10143	7.8
99.08075	43.0
101.53842	4.3
105.07038	22.3
107.04993	7.9
107.08579	36.3
109.06528	5.1
109.10143	22.0
113.09692	4.1
113.20675	4.2
119.08536	14.1
121.10120	39.3
133.10103	12.7
135.11700	51.4
137.09642	5.5
140.50475	5.0
145.10074	4.9
147.11705	6.8
149.13226	13.3
151.11205	21.2
155.32797	4.3
159.11635	7.3
161.13197	9.7
163.11322	6.6
177.12772	7.7
177.67560	4.5
179.14291	100.0
185.13153	4.4
209.97028	4.3
210.96121	4.6
235.16919	9.9
277.21667	48.0
295.22726	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	295.2265
Annotation	9-Hydroxy-(10E,12Z,15Z)-octadecatrienoic acid
Peak:m/z	Relative Intensity
53.03934	9.6
55.01869	32.3
55.05506	58.2
56.92707	3.0
57.03423	8.1
57.07067	15.6
61.98758	3.0
67.05497	95.6
69.03414	6.9
69.07056	50.1
69.34089	3.0
70.36024	15.4
71.04983	9.8
71.08605	16.8
79.05489	54.8
81.03412	13.3
81.07046	82.6
83.04985	22.8
83.08612	27.8
85.02884	3.7
85.06542	6.8
85.10198	7.4
87.04538	3.5
91.05466	35.6
91.42434	3.6
93.07036	66.8
95.04965	24.5
95.08598	52.6
97.06527	13.6
97.10166	25.4
98.21189	7.5
99.08083	8.4
105.07002	30.3
107.08584	44.1
109.06506	8.6
109.10157	34.2
111.08054	22.2
113.09631	7.6
117.07017	5.4
119.08588	26.7
121.10130	22.8
123.08050	8.3
123.11677	4.6
125.09600	15.8
129.06938	4.4
131.08549	10.1
133.10121	20.1
135.11678	16.3
137.09619	12.7
139.11121	15.4
142.08623	4.2
145.10110	7.8
147.11688	14.3
149.09584	4.1
149.13283	16.0
151.11177	11.3
153.12665	4.4
159.11723	7.4
161.13245	11.4
163.11230	4.9
163.14804	7.8
165.12694	16.3
173.13063	3.8
175.14862	6.2
179.14343	6.0
189.11195	12.0
189.12706	4.8
195.13707	4.4
221.15399	5.9
231.21103	3.4
249.22102	5.3
250.21733	7.6
259.20566	12.6
277.21591	100.0
295.22702	72.5
296.22165	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	295.2265
Annotation	9(S)-HOTrE
Peak:m/z	Relative Intensity
53.03936	7.6
55.01858	11.2
55.05505	33.3
57.07070	24.4
58.12236	2.7
67.05497	46.1
69.03414	2.8
69.07057	25.5
70.97926	3.3
70.98260	6.5
71.04988	5.5
71.08623	4.4
79.05491	34.7
81.03422	28.9
81.07047	44.6
83.04977	16.6
83.08611	15.2
85.06541	2.5
85.10178	58.4
91.05483	28.9
93.07045	29.4
95.04959	23.3
95.08598	24.1
97.06540	8.1
97.10175	5.2
99.08061	4.1
105.07027	21.3
107.04936	9.8
107.08593	22.5
109.06501	5.9
109.10120	14.8
111.08102	4.7
113.09635	60.7
117.06996	4.3
119.08576	11.6
121.10139	9.6
123.11680	4.2
125.09599	4.6
125.47404	3.0
131.08583	6.2
133.10135	14.6
135.11703	7.8
137.09686	3.1
145.10132	3.3
147.11665	14.4
149.09605	12.3
149.10999	2.3
149.13257	6.4
151.11166	7.7
157.09988	3.1
157.61423	2.6
161.13229	4.6
163.11206	5.9
165.12746	53.6
175.11198	5.1
175.14793	3.9
176.54199	2.6
179.14432	3.0
181.12311	3.4
182.50090	2.7
207.13789	3.4
222.55380	3.1
249.22093	3.6
259.20663	4.3
277.21625	63.4
295.22668	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2265
Annotation	9-Hydroxy-(10E,12Z,15Z)-octadecatrienoic acid
Peak:m/z	Relative Intensity
55.01871	20.5
55.05503	51.1
57.03442	6.9
57.07067	10.2
60.07926	3.3
65.03918	4.1
67.05497	100.0
67.47342	3.0
69.03412	5.2
69.07057	38.8
70.34085	6.7
70.34480	9.0
71.04969	4.5
71.08614	13.5
72.82552	3.3
76.76077	3.7
79.05486	53.0
81.03384	6.8
81.07044	66.6
83.04970	18.7
83.08606	32.1
85.06516	9.3
91.05468	32.0
93.07033	61.5
95.04954	25.4
95.08593	46.0
97.06509	14.7
97.10134	17.5
99.08086	9.7
103.61262	3.8
105.07014	23.8
107.08589	38.3
109.06522	12.2
109.10143	29.8
111.08058	19.8
113.09609	5.8
117.07026	6.7
119.08553	21.5
121.10127	18.0
123.08041	6.7
123.11675	8.8
125.09628	15.5
131.08546	10.5
133.10109	17.0
135.08112	4.7
135.11662	18.8
137.09576	9.5
139.11174	12.3
145.10127	5.0
147.11630	12.9
149.09581	4.1
149.13297	10.5
151.11147	10.7
153.12752	5.0
157.10146	3.4
159.11700	5.2
161.13205	9.5
165.12726	12.8
165.33060	3.4
173.11801	3.6
173.13245	4.4
175.14786	5.8
185.13237	4.2
189.11208	3.5
231.21060	3.6
241.19429	4.0
254.16246	4.5
259.20566	10.6
277.21585	74.0
295.22647	62.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2264
Annotation	9-Hydroxy-(10E,12Z,15Z)-octadecatrienoic acid
Peak:m/z	Relative Intensity
50.92699	2.2
53.03935	4.3
55.01862	61.7
55.05504	35.9
57.03452	3.5
57.07069	6.0
65.09969	2.0
67.05496	43.7
67.45927	2.2
69.03406	4.4
69.07056	22.5
70.24460	13.5
71.04977	3.4
71.08613	10.9
73.21042	2.6
79.05473	28.1
81.03407	11.7
81.07048	44.3
83.04967	20.1
83.08614	22.3
85.06541	2.6
85.10188	14.1
91.05473	29.8
93.07035	30.8
95.04932	13.6
95.08593	32.8
97.06509	22.3
97.10139	4.5
98.20796	3.5
99.08067	8.9
105.07026	18.5
107.08556	13.2
109.06487	8.6
109.10114	13.8
111.08070	68.0
113.09621	15.1
117.07024	4.5
119.08561	14.6
121.10128	12.8
123.08051	3.6
123.11690	4.4
125.09603	4.8
133.10118	21.2
135.11673	10.0
139.11156	7.1
143.08528	2.3
145.10114	5.4
147.11659	15.9
149.09592	8.7
149.13264	8.4
151.11154	16.1
153.12689	4.1
161.13239	11.1
163.11150	7.7
165.12732	33.6
167.14397	2.9
171.11713	2.9
175.11137	3.2
175.14853	3.6
178.51686	3.1
179.14252	12.4
180.50258	2.4
185.13268	4.2
231.21104	4.9
241.19470	4.0
249.22160	5.8
259.20609	11.4
277.21585	100.0
277.24619	5.1
295.22617	59.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2266
Annotation	9-OxoODE
Peak:m/z	Relative Intensity
50.67414	8.1
53.03928	8.5
55.05491	36.5
56.66444	9.2
57.07069	47.6
57.73371	7.8
61.77654	7.6
67.05504	62.4
69.07045	38.1
71.76198	13.3
74.37376	8.2
79.05485	35.4
79.05935	7.0
81.03396	23.4
81.07037	56.0
83.04969	12.0
83.08607	25.0
85.10161	66.4
91.05476	48.9
93.07036	33.1
95.04959	22.3
95.08602	39.3
97.06495	8.7
97.10162	15.1
102.62191	7.2
105.07009	30.7
107.04974	14.1
107.08578	20.8
109.06506	13.7
109.10169	17.6
113.09628	100.0
119.08579	15.6
120.36865	8.8
121.10129	18.4
123.08034	9.7
129.06992	10.6
131.08539	16.9
133.10124	15.0
143.08492	8.2
147.11658	26.0
149.09575	13.8
151.11266	8.3
151.26622	8.6
163.11153	13.4
165.12738	73.6
171.11661	8.0
259.20541	9.4
264.36679	8.6
277.21588	78.3
295.22617	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	295.2264
Annotation	9-OxoODE
Peak:m/z	Relative Intensity
53.03937	4.6
55.01854	3.8
55.05509	20.0
57.03423	2.1
57.07063	9.0
66.68919	1.1
67.05498	30.0
69.07065	15.0
70.24379	5.7
71.04969	2.4
71.08611	1.5
71.80338	1.1
76.42783	1.1
79.05489	18.8
81.03410	15.6
81.06599	2.0
81.07049	26.5
83.04974	8.4
83.08624	7.6
85.10168	16.2
91.05466	11.1
93.07040	17.0
95.04958	19.3
95.08597	15.7
97.06520	1.9
97.10166	6.5
98.21425	1.9
105.07009	7.5
107.04945	3.6
107.08566	10.0
109.06491	5.1
109.10134	6.1
109.27471	1.1
113.09628	17.5
117.07032	1.9
119.08562	4.8
121.10120	4.4
123.08067	2.8
123.11718	1.7
125.09625	2.4
131.08549	2.3
133.10089	3.8
135.11658	2.8
143.08559	1.3
145.10075	1.7
147.11647	3.4
148.25041	1.1
149.09572	5.8
149.13208	1.8
151.11116	6.8
157.10191	1.7
161.13237	2.4
162.64313	1.3
163.11150	2.1
165.12740	30.6
170.01920	1.2
171.11578	1.6
173.11725	1.6
179.14331	2.1
189.11218	2.9
202.55841	1.3
207.13751	1.7
259.20578	2.7
277.21609	59.3
295.22644	100.0
296.22662	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2264
Annotation	13-OxoODE
Peak:m/z	Relative Intensity
53.03930	6.9
55.01870	12.5
55.05508	27.0
57.03424	3.1
57.07068	12.1
67.05140	2.1
67.05495	39.0
69.07053	19.7
69.48767	9.7
69.49191	8.4
70.96217	1.9
71.04987	2.0
71.08619	2.7
79.05482	24.0
81.03407	23.5
81.07041	36.2
83.04975	11.3
83.08620	11.4
85.10168	24.0
91.05472	15.7
93.07031	22.7
95.04964	24.5
95.08604	19.8
97.06511	6.2
97.10171	6.2
98.20718	2.9
104.04155	2.4
105.07023	11.5
107.04974	3.5
107.08580	15.2
109.06483	5.6
109.10161	9.9
111.08059	3.9
113.09614	18.6
119.08561	8.4
121.10124	9.8
123.08064	5.0
123.11664	2.5
125.09603	5.4
129.06941	4.0
131.08519	4.2
133.10107	7.2
135.11673	4.7
137.09601	2.5
139.11179	1.9
147.11652	8.5
149.09610	3.8
151.11134	8.4
153.12683	2.2
157.86543	2.0
161.13231	2.1
165.12732	32.9
170.97000	1.9
175.14723	2.8
179.14294	3.8
207.13702	3.1
249.22108	3.0
259.20560	4.2
277.21600	63.9
295.22638	100.0
296.22650	1.8
317.18539	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2266
Annotation	9-OxoODE
Peak:m/z	Relative Intensity
53.03909	17.7
55.01858	21.9
55.05498	41.5
67.05504	100.0
69.07045	72.8
69.68909	94.7
69.69318	21.9
71.04988	13.9
75.65630	13.9
79.05489	38.4
81.03392	66.1
81.07039	86.7
83.04967	17.7
83.08592	23.1
91.03319	14.2
91.05463	57.3
93.07030	77.0
95.04955	39.6
95.08588	60.6
98.21421	29.2
105.07005	39.4
107.08563	29.5
109.10142	35.4
121.10143	33.8
133.10115	31.2
135.11693	33.1
147.11694	20.8
147.66870	13.9
151.11189	49.3
165.12711	24.9
179.14308	16.0
182.44980	12.8
247.19043	14.0
277.21680	80.4
277.24384	15.4
277.62842	15.9
295.22659	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	295.2264
Annotation	9-Hydroxy-(10E,12Z,15Z)-octadecatrienoic acid
Peak:m/z	Relative Intensity
50.09770	2.1
52.07923	2.1
53.03928	4.4
55.01866	14.9
55.05505	81.1
67.05496	48.9
68.05842	2.4
69.07072	23.3
70.08229	5.5
70.08634	8.7
71.08622	3.3
79.05470	27.5
79.34754	2.0
79.52026	2.3
81.03404	9.7
81.06609	3.5
81.07050	57.6
83.04966	9.1
83.08611	100.0
85.06525	4.1
91.05476	37.5
93.07024	27.7
95.04929	8.9
95.08592	18.9
97.06507	9.8
97.10150	5.7
99.08070	3.8
105.07021	25.1
107.04948	2.0
107.08584	23.6
109.06498	8.6
109.10139	12.2
111.08072	26.1
111.23944	2.3
112.05500	2.0
113.09656	3.0
119.08598	15.3
121.06538	2.9
121.10126	14.9
123.08047	3.4
123.11679	6.8
129.06981	10.1
129.09076	5.1
131.08546	8.5
133.10121	26.7
135.08076	2.7
135.11684	7.3
137.09541	3.5
139.11166	12.6
142.07753	2.4
145.10036	2.9
147.11684	24.2
149.09622	8.0
149.13255	19.1
151.11151	11.4
157.10112	11.5
159.11629	3.5
161.13239	5.5
163.14847	2.2
165.12737	18.1
167.14299	2.9
170.09741	2.0
171.11650	2.4
173.13168	4.8
175.11224	11.2
175.14793	2.8
179.14241	4.0
184.57123	2.0
185.13150	2.4
189.12675	2.3
193.12202	3.1
199.14743	2.6
207.13759	2.5
214.94342	2.5
241.19374	5.5
241.90424	2.7
259.20486	4.3
268.39377	2.6
277.21606	53.0
295.22720	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	295.2265
Annotation	9-OxoODE
Peak:m/z	Relative Intensity
53.03928	6.4
55.01867	38.2
55.05503	44.8
57.03418	6.5
57.07063	12.5
65.03916	2.8
67.05498	63.4
69.03420	5.2
69.07057	31.0
70.02625	13.2
70.45923	2.4
71.04967	6.2
71.08626	23.1
79.05483	41.7
81.03413	19.2
81.07045	69.8
83.04971	25.9
83.08608	26.8
85.06526	4.7
85.10162	8.3
91.05473	36.8
93.07036	40.8
95.04971	21.4
95.08598	46.0
97.06528	21.0
97.10139	9.9
99.08062	19.9
105.07019	28.4
107.04929	5.2
107.08577	23.8
109.06517	12.7
109.10154	17.5
111.08065	27.7
113.09609	12.2
119.08566	14.9
121.06468	2.3
121.10131	23.1
123.08038	5.0
123.11671	10.1
125.09602	9.4
127.11261	2.5
129.07013	4.3
131.08533	5.0
133.10104	21.1
135.11687	13.0
137.05965	3.4
137.09624	7.6
139.11104	9.5
143.08572	4.3
145.10127	5.0
147.11664	30.3
149.09607	8.2
149.13232	8.4
151.11168	25.3
153.12773	4.5
157.10168	2.9
159.11668	6.6
160.73721	2.3
161.13235	9.3
163.11151	8.1
163.14804	2.7
165.12744	26.5
167.14264	3.4
170.72401	2.3
173.13286	2.7
175.11105	5.3
175.14838	3.8
179.14276	10.1
185.13222	4.3
189.11223	5.7
203.55159	2.2
207.13945	2.4
221.15288	4.0
231.21106	4.3
241.19498	6.2
249.22110	4.7
259.20517	11.7
265.12421	3.3
277.21570	100.0
278.21973	4.4
289.40332	3.0
295.22638	88.6
315.12680	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2266
Annotation	(11R)-Hydroxy-6(Z),9(Z),12(Z)-octadecatrienoic acid
Peak:m/z	Relative Intensity
51.00695	1.7
53.03939	4.0
55.01867	69.0
55.05506	35.4
57.03428	1.8
57.07065	8.6
65.03943	2.1
67.05141	2.4
67.05499	45.4
69.03426	3.2
69.06702	1.6
69.07064	27.4
69.68988	1.9
70.14735	8.0
71.04968	4.7
71.08618	20.9
79.05475	32.0
81.03408	9.2
81.07047	49.5
83.04974	16.1
83.08605	22.7
85.06526	3.6
85.10163	5.2
87.02657	2.6
91.05470	31.7
93.07037	30.3
94.78791	2.0
95.04953	15.1
95.08599	35.8
97.06525	24.6
97.10144	7.0
98.20717	2.1
99.08092	15.5
103.05466	4.0
105.07017	42.5
106.07830	2.9
107.04929	2.0
107.08589	18.8
109.06501	6.8
109.10146	11.2
111.08072	71.1
113.09641	8.1
117.07022	3.9
119.08565	15.2
121.06461	1.9
121.10130	14.8
123.08065	3.2
123.11671	5.5
125.09600	5.2
129.07034	2.5
131.08554	4.7
133.06474	15.1
133.10109	25.9
134.07260	7.1
135.08049	31.0
135.11665	12.3
137.04076	1.9
137.09578	4.0
137.13229	2.7
139.11179	5.3
143.08620	2.6
145.10135	4.5
147.11693	16.0
149.09608	8.7
149.13252	9.0
151.07494	5.5
151.11160	23.5
153.12711	3.9
157.10110	5.2
159.11687	4.1
161.09727	1.8
161.12041	1.7
161.13193	10.0
163.11188	5.9
165.03693	11.6
165.12737	20.4
167.05244	3.2
167.14348	2.3
171.11687	4.4
173.13170	2.9
175.11165	4.8
175.14784	2.8
179.05251	2.2
179.14238	11.0
185.13245	2.4
189.12833	2.2
193.12259	1.7
199.14784	2.6
207.13808	2.3
226.24649	1.9
231.21089	5.7
241.19525	3.2
249.22101	6.6
256.74377	1.8
259.20599	12.0
277.16205	5.3
277.21594	100.0
282.64429	1.6
295.17227	4.1
295.22519	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	295.2264
Annotation	13-OxoODE
Peak:m/z	Relative Intensity
53.00309	1.6
53.03936	6.7
55.01865	12.8
55.05507	25.2
57.03419	2.6
57.07066	11.1
57.07310	1.5
65.03941	1.7
67.05494	36.5
69.03395	1.7
69.07062	22.2
70.22322	8.5
71.04975	4.0
71.08616	4.6
79.05479	21.1
81.03408	18.6
81.07043	34.0
83.04972	11.3
83.08601	10.6
85.10170	16.6
91.05463	15.2
93.07040	25.3
95.04956	18.2
95.08586	20.6
97.06531	8.1
97.10160	5.5
99.08096	5.5
105.07011	11.8
107.04936	3.0
107.08585	14.6
109.06495	7.9
109.10126	10.5
111.08065	11.7
113.09638	15.8
117.07050	3.0
119.08578	8.8
121.10125	6.5
123.08089	3.6
123.11681	4.7
125.09580	5.2
131.08597	2.6
133.10112	6.8
135.11661	6.2
145.10074	2.7
147.11674	6.6
149.09616	7.0
149.13248	3.5
151.11169	10.3
153.12714	2.2
154.30144	1.7
157.10074	2.8
161.13214	3.9
163.11134	3.0
165.12727	34.1
171.11691	2.0
173.11771	2.1
179.14253	5.6
189.11224	1.6
205.18129	1.7
207.13715	2.9
231.21149	1.6
235.11424	1.6
241.19507	1.8
249.22191	3.4
259.20538	5.2
277.21600	68.6
295.22665	100.0
315.40118	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1898
Annotation	Nordihydrocapsiate
Peak:m/z	Relative Intensity
55.01670	2.1
55.01867	25.1
55.05497	16.5
59.86481	2.6
67.05495	22.3
69.07059	14.0
71.08617	7.1
71.74615	4.3
79.05477	15.4
81.03384	3.6
81.07041	47.9
83.04984	6.3
83.08610	10.0
84.08153	3.7
85.15392	2.4
91.05453	13.0
93.07034	18.3
95.04974	3.6
95.08603	14.3
97.06544	5.9
97.10117	3.3
99.08072	4.3
105.07027	11.2
107.08592	13.5
109.06491	16.6
109.10152	7.6
111.04417	14.2
111.08069	21.7
119.08546	9.6
121.10140	11.0
123.11675	5.3
125.09629	4.8
131.08524	5.0
133.10124	8.8
135.08008	2.5
135.11661	6.5
137.05966	100.0
139.11189	2.5
145.10219	3.3
147.11662	7.7
148.52609	2.9
149.09633	3.6
149.13225	7.7
150.08688	2.5
150.33823	2.6
151.07552	4.2
151.11163	4.3
159.11700	3.5
161.09535	5.6
161.13246	6.5
165.09052	3.6
165.12735	6.7
167.76614	2.7
171.11757	3.5
175.03903	4.2
175.11119	4.9
203.17995	5.8
231.17445	7.8
249.18492	10.8
277.17990	29.7
277.21573	26.0
295.19046	11.9
295.22650	20.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1327
Annotation	Methyl oroxylopterocarpan
Peak:m/z	Relative Intensity
55.01867	2.0
55.05521	0.8
65.06229	0.5
67.05489	1.3
67.97300	0.6
69.07069	0.7
70.06594	1.3
71.33595	0.7
71.33924	1.0
72.08144	0.7
72.14895	0.5
73.50247	0.5
75.62824	0.5
77.03918	1.0
77.04730	0.5
79.05488	4.4
81.03384	0.7
81.07044	1.3
84.04532	0.6
84.08125	1.3
91.05471	6.7
93.07032	1.6
95.04961	2.9
95.08588	1.8
103.05457	40.8
105.07018	20.2
107.04932	6.2
107.08575	0.9
108.05707	1.0
109.06511	2.5
115.05456	2.7
117.06994	4.3
119.04936	1.5
119.08574	1.3
120.05737	1.2
120.08099	1.2
121.06488	12.9
122.03654	1.0
123.04439	1.2
123.08023	2.9
128.06183	1.2
129.07011	0.9
131.04912	35.9
132.05666	0.7
133.06474	69.4
134.06812	0.5
135.08038	34.0
136.05209	1.5
137.05959	13.4
143.04933	0.7
144.05653	0.8
145.05312	1.1
145.06465	22.1
147.04378	0.8
147.08008	6.4
149.05981	5.2
151.07526	21.0
155.06001	1.6
157.06483	5.9
158.07214	0.9
160.05183	1.0
163.07524	100.0
164.07915	1.7
165.07021	0.6
169.06459	0.6
169.09840	0.5
171.08015	2.7
172.05144	0.9
175.07561	5.1
178.07693	0.7
179.08441	1.2
187.07529	2.1
188.08336	0.8
189.07002	0.8
194.07187	1.1
202.07745	1.9
203.08458	0.6
207.08015	2.5
217.10139	1.4
219.08060	1.9
220.08759	3.3
221.09523	0.8
229.77194	0.6
235.07394	1.6
235.11137	5.3
237.09087	0.7
245.09645	3.3
247.07582	1.1
248.08310	2.1
263.06732	1.0
263.10672	10.0
264.11066	0.8
265.08652	0.9
267.10138	1.1
277.08551	0.9
277.21503	1.0
280.07336	1.1
280.10693	0.5
295.09552	4.1
295.13181	25.5
296.13422	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1321
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.7
55.05500	0.9
56.05028	0.8
56.96577	0.5
57.03431	1.0
57.07058	1.8
58.74919	0.4
58.99575	0.5
59.04994	0.8
60.04507	0.6
61.02869	0.4
67.05490	1.7
69.03419	1.0
69.07066	2.0
70.02953	1.1
70.06589	3.9
70.38614	1.0
70.39007	0.9
71.04980	0.4
72.04509	5.3
72.08146	1.6
72.93762	0.8
73.02911	1.0
74.00658	13.6
74.02447	0.7
76.02216	5.2
77.00629	3.2
81.03400	0.9
83.04942	0.5
83.06062	0.5
84.04496	1.7
84.08141	8.2
85.02880	2.2
85.06525	1.7
85.08456	1.6
86.09711	3.5
88.03989	6.4
90.94812	0.6
91.05445	0.6
92.01698	1.2
95.04964	1.5
97.02908	0.5
98.97605	0.5
102.03109	0.8
102.03754	10.5
102.05571	0.4
103.07568	1.1
104.01647	0.8
109.02874	0.5
110.07166	1.4
110.09705	0.5
112.07610	2.6
113.05991	0.8
115.03885	0.8
116.07097	0.4
120.01153	100.0
120.08087	1.7
121.08457	0.7
123.04382	0.6
129.10208	2.7
130.08629	7.5
130.10561	0.8
131.07047	1.1
132.95801	3.0
136.07571	1.7
138.09122	0.6
144.95743	0.9
147.04327	0.5
148.04257	35.4
150.96883	2.3
154.08661	1.1
156.10178	1.1
162.96889	1.6
165.06926	44.0
174.02156	0.5
174.11247	7.5
174.96886	1.5
177.91090	0.4
186.96860	2.9
188.07365	0.9
192.97932	1.4
193.09790	0.6
204.97853	0.8
206.08455	14.9
216.97905	0.9
232.10013	1.8
234.98990	1.6
253.00092	1.0
277.00177	0.5
277.12045	3.8
286.21262	0.4
295.13132	3.2
295.18344	0.6
296.07816	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1283
Annotation	Phenylalanylglutamate
Peak:m/z	Relative Intensity
54.42939	0.3
55.05484	0.4
56.05013	0.7
56.96548	0.5
57.07052	0.5
57.71423	0.3
58.89694	0.3
60.04512	0.7
63.62472	0.3
67.05473	0.7
69.03387	0.4
69.07054	0.9
70.06586	2.4
71.74409	0.7
72.08138	2.4
72.93762	0.5
73.02893	0.4
74.06068	0.5
79.05476	0.7
80.04964	0.4
81.03407	0.4
81.07029	1.2
83.04973	0.3
83.08628	0.5
84.04491	6.3
84.08131	5.3
85.02887	1.1
85.08485	0.5
86.09711	3.4
88.03961	0.4
91.05462	1.2
93.07036	2.6
95.04960	0.6
95.06065	0.4
95.08578	0.8
96.84261	0.4
102.05540	2.0
103.02174	0.4
103.05452	7.1
105.07032	0.6
107.08598	0.4
108.95842	0.5
110.07149	0.7
113.06026	0.4
118.06501	0.4
120.08090	100.0
121.08459	1.7
121.10118	0.5
122.56498	0.3
124.20934	0.3
129.06754	0.3
129.10201	2.9
130.04985	3.6
131.04918	0.5
131.97392	0.5
132.95799	1.8
136.07574	0.7
137.06291	0.3
137.65315	0.4
139.61142	0.3
144.95837	0.8
146.05984	0.5
148.06021	7.9
149.02599	0.5
150.96898	1.7
157.07460	0.7
160.07274	0.3
162.96837	0.8
174.96844	1.8
180.08856	0.5
186.96872	2.1
192.97890	0.8
204.97902	0.6
216.97839	0.5
234.99026	1.1
249.12405	0.5
253.00139	1.2
277.11713	0.4
277.21631	0.6
295.12756	5.9
295.15399	0.4
295.22787	0.5
313.14087	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1289
Annotation	Phenylalanylglutamate
Peak:m/z	Relative Intensity
55.01863	1.0
55.05510	0.7
56.05027	1.7
57.03422	0.8
58.06587	0.6
61.02934	0.7
67.05490	1.1
69.03440	2.6
69.07056	1.9
70.06596	3.5
71.05002	0.5
71.72106	0.7
72.08150	1.6
73.02908	0.8
74.00668	0.8
77.03925	0.5
79.05481	1.2
81.03405	1.4
81.07058	1.1
83.04988	0.6
84.04503	31.8
84.08141	3.3
85.02898	9.0
85.04830	0.6
86.09703	3.8
87.04438	0.9
87.08099	1.2
91.03934	0.4
91.05458	2.6
93.03414	0.5
93.07039	2.1
94.04067	1.3
95.04974	0.6
95.08566	1.0
97.02872	2.3
98.97541	0.5
99.04411	0.7
102.05550	1.1
103.05459	7.0
105.07018	0.7
107.04977	2.8
109.02814	1.1
109.06529	0.6
110.07205	0.9
111.04443	1.9
112.11280	0.5
115.03958	0.7
117.06988	0.5
119.04965	0.8
119.08592	0.9
120.08099	100.0
121.06484	0.6
121.08442	1.5
121.10101	0.5
123.06688	0.9
127.03923	1.7
129.06979	0.8
129.10246	1.2
130.04996	5.1
131.04919	4.3
135.04427	1.8
135.05429	0.5
136.07536	1.0
139.03899	4.5
145.04945	1.4
145.06458	0.8
146.05977	0.7
147.04381	3.1
148.04779	2.4
148.05922	0.4
149.05952	2.8
150.07745	56.6
159.11679	0.5
161.06001	1.4
163.03918	6.1
166.08632	39.6
167.08971	0.5
173.05943	0.6
174.96854	0.5
175.03906	0.7
181.04938	2.7
185.06032	0.5
186.09143	7.4
189.05452	1.2
193.04982	1.5
202.37543	0.4
204.21375	0.4
214.11124	0.5
217.04941	0.6
231.06462	0.7
232.09616	5.4
252.15993	1.1
267.00220	0.5
277.12036	0.6
278.10190	5.2
290.23297	0.5
295.08478	0.5
295.12781	4.7
295.16510	1.8
296.18585	1.9
314.77399	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1146
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.2
55.01865	0.7
55.05484	0.4
56.05033	0.3
56.34716	0.3
57.03420	0.5
57.04557	1.1
60.04512	0.3
61.02919	0.5
65.03923	0.4
67.05484	0.5
69.03414	1.1
69.07050	0.9
70.06583	1.7
71.29742	0.6
72.08155	1.4
73.02910	0.3
81.03410	0.6
81.07029	0.8
84.04481	1.0
84.08138	1.9
85.02895	4.8
86.09696	1.0
87.04463	0.5
87.08108	0.6
88.03993	0.3
91.03947	0.4
91.05469	1.3
93.03418	0.3
94.04047	3.1
94.06552	0.3
95.04921	0.4
95.08607	0.5
96.05598	0.4
97.02880	1.0
98.97549	0.3
103.03943	0.5
105.07000	0.5
107.04930	0.5
108.04433	0.3
109.02851	0.4
111.04435	2.2
112.05069	0.5
112.11226	0.3
115.03893	0.7
119.04933	0.8
120.05251	0.5
120.08075	1.9
123.04397	0.4
123.06670	2.0
127.03880	0.7
129.10242	0.6
131.04861	0.3
133.05098	0.9
135.04370	0.8
135.05351	0.5
136.07561	0.8
137.02354	0.3
138.05438	0.2
139.03886	6.0
145.04942	1.0
145.06502	0.3
147.04367	1.7
148.04758	1.5
148.06070	0.5
150.07736	100.0
151.08047	0.9
157.47902	0.2
161.05957	0.6
163.03886	3.7
163.05998	0.3
166.08647	0.4
167.03386	0.4
177.05434	0.3
181.04945	3.0
189.05455	0.7
193.04947	0.7
205.04961	0.3
213.05441	0.3
217.04900	0.7
231.06570	0.4
235.05986	0.4
259.05991	0.6
277.06924	0.4
278.11124	0.3
295.08374	0.5
295.11539	2.2
295.16812	0.7
295.23611	0.4
296.18576	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.0811
Annotation	Vittarilide B
Peak:m/z	Relative Intensity
55.01863	1.2
57.03423	1.9
61.02905	0.9
67.48368	0.6
69.40543	4.9
69.40953	1.1
73.02917	4.2
79.05483	0.7
85.02882	2.2
86.09690	1.5
89.03909	2.5
91.05464	0.8
97.02876	0.7
101.02371	1.1
102.77215	0.5
103.03933	8.9
103.05453	1.6
107.04965	0.5
115.05426	1.9
117.03368	2.8
119.04921	1.1
120.08089	1.2
123.04390	0.9
125.33618	0.5
129.07014	1.1
131.04897	1.4
135.04411	19.4
137.02364	1.7
139.03912	0.8
143.04893	2.4
145.02815	2.5
146.06046	0.7
147.04410	7.7
149.05981	1.6
155.05043	0.7
157.06387	0.9
159.04407	0.7
161.05971	5.3
163.03894	100.0
164.04263	1.4
165.05423	1.1
171.04398	1.1
173.05942	1.8
175.03896	6.7
175.07504	0.7
177.05464	5.2
179.03485	2.6
183.01448	0.5
185.05963	1.3
187.03918	1.8
189.05453	9.1
191.03481	1.0
191.06978	0.6
193.04956	43.6
194.05290	1.0
201.05385	0.7
201.31189	0.6
203.07028	1.0
205.04956	3.8
213.05363	3.1
215.07101	0.7
217.04944	5.3
229.04880	0.9
231.06496	4.1
233.04395	1.1
235.06023	2.7
247.59735	0.6
249.07564	1.1
259.05975	2.1
277.07053	2.4
289.17194	0.6
295.08109	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	295.0809
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.5
57.03424	2.2
67.05505	0.6
69.03407	0.8
69.07047	1.3
69.40439	5.1
69.40861	1.4
72.27777	0.6
73.02908	3.6
75.04474	0.9
81.07045	0.7
81.73259	0.6
84.04494	1.2
84.08137	0.7
85.02880	2.2
86.09695	11.2
89.03902	2.2
91.05474	1.3
101.02379	1.2
103.03931	8.1
103.05456	1.7
105.07027	1.2
107.04996	1.1
115.05447	2.1
117.03358	2.3
119.04899	1.0
119.06046	1.9
120.08088	2.1
123.04396	1.5
129.06992	1.2
131.04915	2.4
131.05890	0.6
133.06467	0.8
135.04401	18.9
136.07503	0.9
137.02374	1.3
141.06967	0.7
143.04942	3.1
145.02823	1.9
146.05949	2.7
147.04390	8.9
147.05467	1.0
149.02678	0.8
149.05981	1.7
157.06487	1.0
161.05974	5.6
163.03889	100.0
164.04308	1.7
165.05473	1.9
166.08647	0.7
171.04437	0.9
173.05983	1.6
174.96866	0.6
175.03882	6.7
175.07365	0.8
177.05461	5.2
179.03413	2.1
182.08167	0.6
185.05899	1.7
187.03873	1.2
189.05460	8.6
191.03349	2.2
193.04950	43.1
201.05424	1.0
202.07430	0.6
203.07158	0.9
205.04907	3.1
207.06529	1.5
213.05426	3.0
215.07013	0.5
217.04948	5.3
231.06560	4.3
231.11404	0.9
234.98987	0.8
235.05960	3.9
249.07660	0.9
259.05975	2.4
262.93719	0.7
277.07047	2.7
277.11826	0.9
295.08090	15.5
295.12881	0.8
295.19962	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.2062
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43629	0.3
50.50485	0.3
53.44433	0.3
57.07059	1.0
60.92668	0.3
67.05504	0.4
71.08611	1.1
71.48906	0.6
79.05487	0.9
81.07057	0.8
91.05456	0.8
94.04181	2.1
107.04987	0.5
109.06496	0.4
122.03647	7.0
135.48886	0.3
137.05965	100.0
138.06334	1.1
141.12708	2.9
157.29349	0.3
158.15411	1.9
170.15361	0.5
182.45955	0.3
277.21588	0.3
317.03131	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.2061
Annotation	DESMETHYLDIHYDROCAPSAICIN
Peak:m/z	Relative Intensity
53.03933	0.3
55.01868	0.3
55.05505	0.3
57.07059	0.7
67.05499	0.7
70.93791	0.5
70.94125	0.5
71.08631	0.4
79.05479	0.8
81.07040	2.4
91.05465	0.8
94.04170	2.7
95.04949	0.5
95.08591	0.4
96.03292	0.2
98.20806	0.3
105.07017	0.3
108.08956	0.4
109.06489	0.8
122.03634	7.3
123.11683	2.0
137.05963	100.0
138.06288	1.5
139.11185	0.3
154.73706	0.3
158.15350	1.5
170.15396	1.5
192.32166	0.2
210.12125	0.3
216.31679	0.2
233.69566	0.2
238.11679	0.3
248.14374	0.2
276.20352	0.6
294.21072	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.0745
Annotation	Unknow
Peak:m/z	Relative Intensity
54.85899	0.3
58.99542	0.3
69.59422	2.8
70.02940	1.6
70.06575	0.8
72.89568	0.3
74.00651	4.4
81.03374	0.4
84.08125	0.7
86.00651	0.3
86.09672	0.6
87.12390	0.3
88.03982	18.3
91.05479	1.5
93.06979	0.3
103.05434	0.7
105.07029	0.6
108.85514	0.3
109.02853	0.5
117.05696	0.5
118.06528	7.8
120.01153	4.4
120.08071	0.9
121.06516	0.4
128.04955	2.7
129.05698	0.5
130.05638	0.6
130.06522	8.1
131.04866	0.6
132.01117	1.3
132.04443	1.7
132.26196	0.3
133.06450	1.2
135.08022	0.7
142.06523	0.4
145.06503	0.7
145.07597	1.2
146.05991	22.5
148.02162	0.9
150.03729	1.9
151.07602	0.3
159.49828	0.3
160.02179	0.7
160.07513	0.5
161.02928	1.0
162.03706	100.0
163.04005	1.4
163.07539	1.8
164.01669	0.5
169.07625	0.6
170.08368	0.4
171.09236	0.3
174.05484	19.7
176.07008	0.6
178.03224	1.4
186.03699	1.0
188.01653	3.1
188.07059	1.4
190.03198	9.8
203.06410	0.7
206.02690	17.9
208.04242	7.7
213.30450	0.4
231.05850	0.3
232.04303	2.2
249.06909	26.7
277.06390	2.3
295.07428	8.2
295.13040	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.1811
Annotation	Lysylphenylalanine
Peak:m/z	Relative Intensity
50.16857	0.4
51.66743	0.4
53.68295	0.4
55.01856	0.5
55.05505	0.9
55.93507	0.5
56.05030	3.2
56.96554	1.2
57.03418	0.5
57.07056	0.5
60.04502	1.1
60.05640	0.4
61.02908	0.4
62.95746	0.4
67.05499	1.2
67.54532	0.3
69.03424	2.1
69.07057	1.5
70.02948	0.7
70.06583	5.1
71.04983	0.6
71.73715	0.5
71.74116	0.5
72.04533	0.6
72.08160	1.9
72.93784	0.5
73.02922	1.0
73.06555	0.4
73.35754	0.4
74.00669	0.6
77.00625	0.4
81.03400	1.4
83.06097	0.5
84.04495	2.9
84.08136	100.0
85.02894	3.1
85.06542	0.8
85.08472	1.5
86.09695	6.1
87.03217	1.1
88.03995	3.4
88.07633	0.6
90.94836	0.6
91.05489	1.2
93.07024	0.7
95.04945	0.6
95.08605	0.5
97.02905	2.9
98.06058	0.4
98.09686	0.7
98.97570	0.8
99.04485	0.7
101.06044	0.4
101.10779	3.6
101.43286	0.4
102.03741	0.6
102.05553	0.5
102.09187	0.7
103.05486	0.7
108.08126	0.7
110.07149	2.3
112.03960	0.7
112.07620	2.0
115.03905	0.5
116.98620	0.8
120.01154	7.4
120.08094	12.3
127.03912	1.4
128.10727	0.8
129.10229	18.0
130.04950	0.4
130.08633	7.9
131.96115	0.9
131.99664	0.9
132.10191	3.2
132.95850	1.6
136.06139	0.5
136.07567	0.9
137.07907	0.6
138.05466	0.6
140.07117	0.5
143.05786	0.6
144.95840	0.6
147.04376	1.0
147.11276	9.0
147.12370	0.7
148.04222	3.0
149.97208	0.5
150.00766	0.9
150.96931	1.3
156.07666	0.7
156.10190	4.5
158.97350	0.6
161.06862	0.5
161.97162	0.6
162.96909	1.1
165.05614	0.7
165.06909	4.8
166.08644	0.9
174.11284	1.0
174.96910	1.5
177.00662	0.5
186.07608	0.4
186.96935	1.9
191.98190	0.5
192.97995	0.5
204.08614	0.7
204.97989	1.0
206.08455	2.8
210.11301	1.2
212.12848	1.0
217.05389	0.6
230.13878	4.4
231.14915	0.7
234.98891	0.5
248.14946	0.7
253.00108	0.6
258.13306	4.9
259.14435	1.0
260.12988	0.5
276.14420	7.7
276.17026	1.0
277.12195	0.9
277.15359	5.2
294.10544	0.9
294.15338	0.6
294.18146	11.5
295.13348	1.2
295.18552	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2471
Annotation	Methyl alpha-Eleostearate
Peak:m/z	Relative Intensity
53.03939	3.8
55.05510	14.5
57.07063	1.5
59.04988	1.5
65.03920	1.6
67.05497	84.8
69.07058	10.8
70.89034	4.4
79.05493	16.0
81.03412	2.4
81.07047	100.0
83.04958	2.7
83.08602	6.4
91.05479	6.5
93.07038	16.7
95.04935	5.3
95.08597	59.4
97.06490	2.7
97.10110	1.5
105.07022	6.2
107.04942	1.5
107.08572	10.6
109.06493	2.0
109.10137	29.7
119.08544	5.3
121.10128	8.0
123.11678	19.4
131.08551	4.9
133.10132	3.3
135.11661	5.1
137.09622	2.5
137.13246	9.9
145.10045	4.3
147.11688	2.1
149.13219	3.2
151.11183	1.7
151.14713	1.9
159.11688	3.1
161.13232	2.5
163.11150	2.8
173.13213	3.5
177.12704	2.6
177.16389	2.1
184.23888	1.4
187.14926	2.2
191.14330	1.7
195.13585	1.4
195.42012	1.4
206.68285	1.5
243.21028	4.3
261.22104	5.4
275.19937	3.6
293.21356	2.8
293.24661	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	294.0969
Annotation	Unknow
Peak:m/z	Relative Intensity
61.41213	0.3
63.36020	0.3
65.03932	0.8
66.98411	0.3
68.41351	0.4
70.78222	0.9
72.08163	0.9
72.58734	0.3
79.63052	0.3
84.04491	1.1
84.08118	0.5
86.09675	0.4
90.50443	0.5
91.05473	11.2
92.05720	0.5
102.76379	0.4
108.35443	0.4
111.64230	0.4
119.04936	28.7
120.08086	0.5
130.05017	2.3
147.04402	100.0
148.04744	1.5
183.74786	0.4
205.07417	0.5
248.09221	1.2
294.09787	1.3
316.86502	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.1544
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.4
55.01855	2.8
55.05492	1.9
56.05024	2.6
56.11987	1.4
57.03424	3.4
57.07069	1.2
59.03729	2.2
60.04520	2.6
60.05640	1.8
60.07742	1.4
60.85822	1.4
61.02896	1.8
67.05482	1.6
69.03412	6.8
69.07066	7.2
70.06582	21.9
71.04983	2.0
71.74061	2.3
72.04504	3.2
72.08144	6.3
72.93764	1.8
73.02919	2.5
74.02406	1.5
74.06068	2.0
81.03416	4.4
84.04487	6.3
84.08132	26.8
85.02895	9.3
86.06033	1.5
86.09697	52.3
87.03197	10.7
87.05573	2.4
88.03985	21.5
91.05479	1.8
96.04485	2.7
97.02884	10.1
97.51953	1.5
98.06006	1.6
98.09708	9.9
99.04440	4.8
100.03936	1.7
109.02933	2.0
110.07161	6.1
112.03944	7.8
112.07594	7.7
116.10689	2.6
120.08110	9.4
125.27271	1.4
127.03918	9.0
128.10698	10.5
129.10217	8.3
130.04953	1.8
130.08604	5.5
132.10204	19.5
132.95793	2.1
136.07622	1.9
138.05487	2.0
140.07072	3.4
143.05771	7.3
143.08151	1.7
144.10149	7.5
145.04968	2.0
147.11278	3.2
150.05763	1.7
154.08554	1.8
156.10201	2.7
161.06808	6.7
164.10701	4.1
168.10167	2.4
182.11774	1.9
186.96892	2.3
194.11728	2.4
197.66135	1.6
210.11203	8.9
212.12816	16.6
214.48212	1.6
220.08151	1.4
230.13846	57.0
234.98991	2.0
248.14932	11.3
252.99884	1.7
258.13351	52.0
269.70074	1.4
276.14395	100.0
294.18237	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	293.2471
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	3.8
55.05503	17.0
57.07070	4.1
57.38186	2.2
62.40567	2.4
67.05498	95.3
69.07071	13.1
71.15821	6.8
76.39933	2.7
79.05482	21.3
81.03427	5.1
81.07044	100.0
83.04987	3.6
83.08606	11.1
91.05462	11.7
93.07034	25.0
95.04950	12.9
95.08595	78.5
97.06513	4.7
97.10178	3.0
98.98438	2.5
105.07018	12.5
107.04965	3.6
107.08577	15.1
109.10152	30.0
111.04414	2.7
112.73081	2.3
117.07008	7.1
119.08576	10.4
121.06517	3.9
121.10137	12.9
123.08074	5.7
123.11737	16.7
125.09700	3.3
131.08537	11.1
133.10107	8.5
135.08098	3.1
135.11707	8.8
137.09575	3.7
137.13263	7.4
145.10127	8.5
147.11650	6.7
149.09619	9.1
149.13167	2.6
151.11140	7.7
151.14804	2.4
159.11694	5.7
161.13300	6.4
163.11177	11.6
173.13281	7.3
177.12674	2.6
187.14825	3.4
237.11203	4.6
239.17940	3.2
243.21132	4.4
257.18991	6.0
275.20096	32.2
293.21121	23.8
293.24686	12.4
300.22760	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2472
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	6.8
57.07071	4.1
59.95452	2.8
65.03932	4.4
67.05500	78.7
69.07056	15.0
71.73082	6.0
79.05479	16.0
81.07049	100.0
83.08622	7.8
91.05470	4.7
93.07024	14.9
95.04952	10.4
95.08604	68.2
97.10178	6.4
105.07025	8.5
107.04945	4.9
107.08579	10.8
109.06485	3.9
109.10152	35.0
113.14817	3.6
119.08585	8.7
121.10130	6.8
123.08089	4.9
123.11716	21.0
131.08545	6.7
133.10147	4.9
135.11662	3.7
137.13278	6.6
145.10129	7.7
147.11708	4.9
149.09651	6.5
159.11690	5.6
163.11194	4.5
173.13313	5.5
177.09138	4.6
178.51839	3.5
187.14903	3.8
188.57263	3.5
191.10699	4.7
219.10132	31.1
237.11197	40.9
275.20004	8.3
293.21094	10.5
293.24686	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	293.2108
Annotation	12-OPDA
Peak:m/z	Relative Intensity
53.03930	5.8
55.01868	15.0
55.05507	35.0
56.02754	1.5
57.03417	3.8
63.46808	1.6
63.56010	1.7
65.03925	3.3
67.05499	51.4
69.07059	23.8
70.99587	3.9
71.04975	4.9
79.05488	43.6
81.03416	13.4
81.07049	100.0
83.04980	10.1
83.08609	27.0
83.72724	2.0
85.74282	1.7
91.01200	1.9
91.05469	33.8
93.07024	32.1
95.04964	28.8
95.08597	25.6
97.06517	12.0
97.10165	8.6
105.07021	37.6
107.04956	14.1
107.08591	28.9
109.06509	32.8
109.10149	11.1
110.46236	2.0
111.04393	2.0
111.08060	7.2
117.07005	10.7
119.08565	25.8
121.06494	8.0
121.10130	14.5
123.08067	12.6
123.11700	4.3
125.09618	9.9
129.06990	3.7
129.39790	1.8
131.08528	13.4
133.06471	2.1
133.10103	22.0
133.21985	1.8
135.08035	9.0
135.11662	8.4
137.09584	5.9
143.08565	2.4
145.06458	2.4
145.10124	12.5
147.08081	2.5
147.11652	17.8
149.09630	14.8
149.13239	4.2
151.11095	4.4
153.93631	1.8
155.08522	2.1
157.10069	2.2
157.73792	1.8
158.61888	1.7
159.11690	9.4
161.13249	5.8
163.11142	12.5
165.12791	5.2
169.10004	1.9
171.11691	4.0
175.11102	3.3
176.34453	2.4
177.12738	2.7
183.11684	2.8
187.11226	2.5
189.11209	5.8
193.12196	2.4
201.12758	2.1
207.13782	2.1
215.17854	2.2
223.13370	3.3
229.19443	3.0
234.39561	2.2
237.14915	2.4
239.18010	3.2
247.20552	4.8
257.18893	5.9
275.20020	66.3
293.21078	47.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2104
Annotation	9-OxoOTrE
Peak:m/z	Relative Intensity
53.03934	1.9
55.01864	11.0
55.05507	33.6
61.84527	1.7
65.03937	3.1
67.05499	20.8
69.03419	3.2
69.07065	11.4
70.03714	3.0
70.04117	6.3
79.05485	53.2
80.05813	2.4
81.03409	2.7
81.07052	28.4
81.07487	2.5
82.07394	3.6
83.04955	4.4
83.08611	16.6
84.06329	1.5
91.05470	32.5
93.07046	22.8
95.04958	10.3
95.08588	11.7
97.06532	10.4
97.10159	21.9
102.14513	1.7
102.82317	1.6
105.07020	34.4
107.04948	10.0
107.08585	100.0
108.08891	1.8
109.06524	8.9
109.10156	6.8
110.58421	1.8
111.08109	1.8
117.07056	8.1
119.08569	13.9
120.08877	1.6
121.06515	2.4
121.10118	8.3
123.08078	2.0
123.11658	1.9
125.09611	19.4
129.06989	2.4
131.08539	7.4
133.10117	18.1
135.08057	5.4
135.11717	3.3
137.09615	1.8
143.10649	1.6
145.10101	12.6
147.11673	13.2
149.09615	18.6
149.13251	2.7
151.11221	1.9
153.09140	1.8
159.11684	6.6
161.09641	2.1
161.13301	4.1
163.11203	2.6
165.09111	2.6
171.11618	1.8
173.13272	4.6
177.12717	1.9
181.12259	2.9
183.11551	1.5
187.11261	1.7
189.11201	16.8
223.13243	2.2
229.19534	5.0
239.17952	3.6
247.20619	3.1
257.19028	7.0
275.20038	79.1
276.20419	2.4
293.20883	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	293.2108
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
50.67500	1.4
53.03931	2.9
55.01853	6.1
55.05507	24.7
57.07058	3.1
67.05500	18.4
69.03425	2.9
69.07061	9.1
69.41667	16.6
78.17159	1.3
79.05483	17.9
81.03400	6.4
81.07050	18.7
83.04970	5.4
83.08615	12.6
85.02895	3.4
85.06516	1.6
87.48665	1.5
88.96252	1.2
91.05471	12.9
93.07038	13.0
95.04965	100.0
95.08616	11.6
97.06571	2.1
97.10152	5.8
97.71368	1.5
98.45895	1.3
105.07011	9.0
107.04956	6.9
107.08595	11.9
109.06495	8.8
109.10114	3.4
111.08076	4.4
117.06999	4.7
119.08583	8.6
121.06493	6.1
121.10144	6.4
123.08080	4.9
123.11671	2.2
125.09627	6.3
131.08566	4.0
133.10117	3.1
135.08022	3.2
135.11646	3.1
137.09618	4.3
144.50186	1.8
145.10139	9.7
147.08052	5.3
147.11685	3.2
149.09618	19.7
153.09100	4.7
159.11661	4.3
163.11157	19.9
165.12761	5.1
169.10059	2.6
175.72177	1.5
177.12772	3.0
187.11142	3.9
189.11180	2.8
197.13069	1.7
205.12228	6.8
223.13292	36.7
232.84416	1.5
257.18933	3.4
275.20099	25.4
293.21103	60.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2107
Annotation	9-OxoOTrE
Peak:m/z	Relative Intensity
51.95107	2.0
53.03942	4.4
55.01870	14.3
55.05504	29.3
57.03413	6.2
58.23548	2.0
67.05499	37.7
69.03416	2.7
69.07063	74.8
69.45968	20.1
71.04986	4.2
71.08620	4.0
72.63612	2.1
79.05486	35.7
81.02957	3.4
81.03396	16.7
81.07045	40.4
83.04967	8.6
83.08601	9.4
85.06526	2.5
91.05467	31.4
93.07028	39.7
95.04961	100.0
95.05573	4.8
95.08597	26.2
95.14167	2.9
97.06525	12.0
97.10145	7.4
105.07017	24.6
107.04951	13.0
107.08584	27.5
109.06487	13.8
109.10142	7.9
111.08074	4.6
115.05417	2.2
117.07017	11.0
119.08554	21.9
121.06473	7.6
121.10125	22.1
123.08029	7.3
125.09578	5.6
129.07047	3.8
131.08575	12.0
133.06406	2.7
133.10104	16.4
135.08043	24.9
135.11687	5.7
137.05876	2.5
137.09596	5.0
139.11151	6.1
143.08563	3.7
145.10095	10.3
147.11620	12.6
149.09608	10.8
149.13193	4.0
151.11211	11.0
152.68021	2.2
159.11726	11.4
161.09604	7.0
163.07481	2.8
163.11168	9.3
165.12675	3.6
169.10144	3.6
171.11661	3.4
173.13245	3.0
177.05455	22.4
177.12746	9.4
178.06247	24.4
179.88295	2.1
183.11711	4.2
185.13240	3.8
191.06963	6.7
197.13298	2.5
201.16429	3.0
203.12616	3.9
203.14285	4.6
205.12276	4.9
205.16086	2.8
207.13814	6.2
219.13797	4.4
219.17461	13.2
221.15337	2.9
223.13187	3.6
225.14836	5.8
233.11711	22.6
237.14783	28.2
239.17752	3.6
247.20615	4.6
251.16470	2.7
257.18921	10.4
275.20050	58.3
293.18259	2.9
293.21075	79.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2107
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
50.20377	1.4
53.03930	4.2
55.01862	14.5
55.05509	38.2
55.11228	1.7
55.31548	1.5
55.95725	1.5
56.96545	2.2
57.03431	4.0
57.07071	2.1
65.03914	2.3
67.05498	39.1
69.03423	2.6
69.07063	13.5
71.00276	4.9
71.04970	3.0
71.08610	4.1
73.35337	1.6
79.05028	2.2
79.05486	38.3
81.03414	8.6
81.06606	3.3
81.07047	42.3
83.04972	10.8
83.08606	22.3
85.02869	2.0
85.06545	3.1
88.36577	1.8
91.05474	33.4
93.07031	31.1
95.04956	82.0
95.08598	21.6
97.02835	1.8
97.06528	9.3
97.10147	9.4
99.04411	1.7
99.08047	4.8
105.07024	19.2
107.04919	14.4
107.08585	28.4
109.06500	10.8
109.10135	11.8
110.19572	1.6
111.04441	3.7
111.08073	7.5
111.30436	1.8
117.07005	7.0
119.08575	13.8
121.06485	11.2
121.10136	12.7
123.08025	6.1
123.11665	3.5
125.09621	12.1
129.06981	4.2
131.08556	11.6
133.10107	15.0
135.08061	8.6
135.11691	7.9
137.09589	3.8
141.06935	1.8
145.10117	13.0
147.08037	2.5
147.11668	11.2
149.01346	1.7
149.09613	19.8
149.13255	2.5
151.11151	4.9
153.09195	3.9
153.12796	1.8
157.10182	2.2
159.11697	9.3
161.13239	2.7
163.11165	23.2
165.12723	7.0
169.10107	4.1
171.11589	1.7
173.13278	3.8
177.12733	5.1
187.11118	4.8
189.11154	4.6
193.12321	1.9
195.13774	4.0
205.12222	3.0
219.13750	1.5
223.13286	23.9
229.19424	2.2
237.14961	2.8
247.20544	6.9
257.19022	5.8
275.20038	54.5
293.21078	100.0
294.21271	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2106
Annotation	12-OPDA
Peak:m/z	Relative Intensity
53.03941	9.8
55.01868	27.7
55.05503	74.1
67.05494	47.3
68.00894	4.2
69.07057	19.4
70.88433	10.6
79.05482	94.7
81.07049	53.4
83.04972	17.9
83.08614	18.7
88.64737	4.2
91.05475	44.4
93.07024	47.1
95.04950	18.1
95.08596	17.1
97.06516	27.0
97.10142	27.3
100.83490	5.1
105.07016	29.4
105.80563	5.2
107.04942	60.2
107.08575	62.0
109.06550	10.8
109.10141	15.2
117.07018	12.8
117.16502	4.5
119.08572	28.6
119.48405	5.1
121.10122	13.8
125.09637	29.7
129.07057	5.1
131.08539	11.8
133.10115	19.7
135.08038	4.9
135.11699	6.3
139.10641	5.0
145.10124	8.4
147.11679	16.8
149.09598	80.5
159.11726	6.6
159.90384	4.6
161.13261	8.4
163.11194	6.3
173.13213	5.5
189.11203	25.6
229.19455	8.2
239.18019	5.7
257.18961	21.8
263.75937	4.8
275.20044	100.0
293.21045	25.6
294.04968	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	293.2109
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	5.6
55.01866	20.5
55.05507	49.4
67.05500	52.7
69.03435	5.6
69.07055	23.7
70.38734	11.8
70.39080	2.5
71.04986	4.2
79.05486	54.7
81.03423	10.0
81.07052	66.9
83.04984	10.1
83.08621	24.5
85.06546	5.9
86.94939	2.5
87.98196	2.5
89.38128	2.5
91.05471	38.6
93.07038	35.7
95.04961	100.0
95.08609	32.4
97.06514	12.3
97.10168	17.2
105.07006	29.6
107.04954	12.1
107.08583	57.1
109.06504	16.3
109.10141	22.3
111.08072	13.1
117.07036	8.2
119.08539	20.1
121.06481	4.5
121.10132	19.8
123.08075	12.1
123.11735	5.0
125.09612	15.1
126.27025	2.7
129.07013	4.8
131.08588	18.0
133.10132	28.0
135.08015	6.8
135.11728	8.4
137.09610	10.7
139.11169	3.6
143.08562	3.7
145.10112	16.5
147.08026	4.3
147.11705	12.3
149.09584	31.5
151.11191	9.3
159.11684	12.8
161.09669	3.1
161.13371	2.9
163.11183	22.9
165.09143	3.6
165.12741	3.2
173.13289	4.9
183.11781	3.7
187.11281	3.3
189.11234	11.5
205.12338	5.4
211.85126	3.1
221.98416	3.5
223.13284	39.1
229.16127	3.1
229.19521	4.1
239.18022	5.5
247.20398	5.5
257.19019	7.4
263.27371	2.7
275.20041	72.4
276.20392	4.0
293.21103	65.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2107
Annotation	12-OPDA
Peak:m/z	Relative Intensity
50.25007	2.3
51.43349	2.4
52.85157	2.4
53.03936	6.6
55.01856	10.1
55.05276	2.6
55.05505	29.7
57.03422	4.6
65.03931	4.3
67.05138	3.6
67.05496	57.9
68.72784	2.9
69.07049	21.8
69.91525	7.8
69.91955	8.8
71.04962	7.3
77.70309	2.6
79.05487	54.7
81.03400	5.8
81.07048	100.0
82.07381	2.7
83.04955	6.8
83.08605	10.7
91.05469	40.7
93.07043	35.9
95.04962	22.5
95.08600	37.0
97.06502	6.4
97.10120	3.5
97.16449	2.6
98.20712	3.1
103.05442	3.2
105.07018	43.3
107.04930	7.7
107.08589	24.4
109.06500	29.6
109.10160	23.6
111.08054	6.3
116.08368	3.3
117.07016	13.4
119.08561	39.2
121.06490	7.1
121.10135	14.8
123.08041	10.7
123.11675	4.6
125.09635	4.1
131.08524	11.6
133.10109	37.1
135.08003	6.7
135.11652	7.5
137.09557	11.9
143.08553	3.8
145.10074	14.1
147.11673	17.9
149.09589	10.4
149.13226	6.1
151.11201	9.0
157.10103	3.8
159.11696	8.6
161.09604	3.5
163.11147	5.7
165.12753	3.3
173.13271	4.6
175.11168	3.5
177.12708	3.6
183.11644	4.2
191.14243	3.4
205.15862	3.0
239.17966	2.7
247.20537	6.3
257.19043	8.6
275.20093	62.1
276.20383	3.6
293.21054	36.4
304.46796	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	293.2106
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03938	6.6
55.01862	16.0
55.05503	27.1
55.81585	1.5
57.07063	3.9
57.30820	1.5
65.03925	2.9
67.05499	43.4
69.03407	2.0
69.07060	23.8
70.87120	3.7
70.87495	3.3
71.04991	3.3
79.05487	43.3
81.03400	10.3
81.07050	66.0
83.04964	6.9
83.08607	18.0
86.09680	1.9
91.05464	37.5
93.07032	34.1
95.04970	18.9
95.08596	33.0
97.06520	16.1
97.10143	11.8
99.08089	2.6
105.07016	38.2
105.66043	1.7
107.04935	12.0
107.08578	41.0
109.06497	18.0
109.10132	14.4
111.08077	4.5
117.06973	10.7
119.08562	19.3
120.08135	2.6
121.06495	4.7
121.08604	1.6
121.10125	18.0
123.08039	9.9
123.11683	6.2
125.09621	11.3
129.07008	2.3
131.08559	12.9
133.06480	2.9
133.10123	27.1
135.08055	7.9
135.11668	9.1
137.09631	5.0
143.08575	2.5
143.37057	1.8
145.06433	1.6
145.10085	13.6
147.08078	2.0
147.11671	20.5
149.09610	18.4
149.13249	2.8
151.11116	8.6
155.08514	2.6
157.10136	2.8
159.11682	9.3
161.09618	2.6
161.13261	6.7
163.11185	9.7
165.09131	10.1
165.12741	2.5
169.10216	3.9
171.11649	2.5
173.13271	8.0
175.11224	4.3
175.14815	2.2
177.12787	5.1
183.11685	1.9
187.11176	4.0
187.14822	3.4
189.11191	6.1
229.19484	6.2
233.19141	2.0
239.18027	5.8
247.20572	8.7
257.18970	13.8
263.77921	1.8
265.21539	2.1
275.20029	100.0
293.21042	38.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2107
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03944	5.9
53.55881	2.4
55.01868	4.4
55.05511	27.9
67.05498	92.4
69.03447	3.2
69.07059	13.7
70.18039	14.7
79.05491	29.5
81.03396	7.1
81.07047	100.0
83.04993	6.9
83.08608	20.3
85.06525	5.3
91.05476	26.9
93.07040	37.4
95.04964	19.3
95.08596	86.4
97.06530	10.4
97.10177	8.8
97.49773	2.5
98.20776	3.9
99.89841	2.3
105.07016	19.9
107.04946	8.4
107.08575	22.2
109.06516	10.0
109.10131	36.4
111.08101	5.5
117.07003	11.6
117.52626	2.4
119.08566	23.3
121.10131	23.6
123.08056	8.0
123.11686	13.9
125.09598	5.9
129.07080	2.8
131.08586	13.3
133.10130	18.1
135.08038	9.4
135.11694	8.8
137.09599	10.3
137.13266	6.8
145.10092	18.0
147.11691	10.7
149.09615	32.2
149.13248	7.4
151.11194	8.2
155.08499	3.2
157.10152	4.8
159.11705	12.0
161.13266	9.1
163.11180	23.7
163.14735	3.0
165.12749	8.6
169.10150	4.3
173.09674	4.0
173.13309	6.6
175.11139	4.3
177.12752	8.7
179.10571	2.8
187.14824	4.1
189.11217	2.8
191.14246	4.2
193.68718	2.8
223.13249	4.2
229.19414	6.4
239.17914	15.3
239.23227	2.7
247.20592	3.2
257.18942	23.0
261.22162	7.1
275.20029	82.8
276.20673	2.9
276.66992	2.5
293.21140	22.5
293.24774	11.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2109
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03937	7.3
55.01872	16.0
55.05508	54.1
57.03435	5.0
57.07058	4.1
61.09926	2.2
65.03925	4.1
67.05497	56.2
69.03429	4.9
69.07061	29.6
71.04982	5.4
79.05080	4.2
79.05492	47.9
80.05814	3.2
81.03417	14.6
81.07050	82.3
83.04970	9.0
83.08611	35.2
85.06549	2.6
91.05464	33.5
93.07031	43.3
95.04959	59.6
95.08595	40.4
97.06525	10.9
97.10162	16.6
99.08111	3.1
105.07020	38.9
107.04978	18.1
107.08580	35.9
109.06511	25.9
109.10149	20.1
111.04494	3.4
111.08094	7.4
117.07010	13.6
119.08585	28.9
121.06494	10.0
121.10132	23.6
123.08054	9.9
123.11716	7.1
125.09610	16.9
129.07010	2.5
129.60178	2.3
131.08559	16.2
133.10120	24.6
135.08047	10.1
135.11690	12.0
137.09605	8.4
145.10143	18.0
147.08078	5.2
147.11685	18.0
149.02379	2.6
149.09601	40.0
149.13283	3.1
151.11172	8.9
153.09041	2.7
155.08562	5.1
159.11674	10.1
161.09621	4.7
161.13275	4.5
163.11189	22.7
165.12744	6.8
169.10149	4.3
173.09674	6.2
173.13187	7.0
175.11171	4.9
175.14618	2.8
177.12637	6.0
179.55948	2.6
183.11836	3.1
187.11264	4.6
189.11201	7.6
191.14276	2.8
201.12749	3.8
205.12190	3.6
209.11737	3.4
223.13257	15.9
229.19556	7.5
229.35251	4.3
237.11226	4.0
239.18001	5.9
247.20581	5.9
257.18988	14.1
275.20035	100.0
276.20529	3.4
293.21088	88.8
294.21048	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2107
Annotation	12-OPDA
Peak:m/z	Relative Intensity
53.03943	38.3
55.01870	27.8
55.05507	35.3
57.03416	4.8
57.07058	5.9
63.83487	3.6
67.05497	74.3
69.03412	6.2
69.07057	41.9
69.63732	30.7
71.05009	4.8
78.07215	4.9
79.05473	49.8
81.03400	55.7
81.06603	6.1
81.07050	100.0
82.84917	4.1
83.04970	16.5
83.08620	10.1
85.06559	5.0
91.05462	71.0
93.07039	47.1
95.01347	9.2
95.04953	32.3
95.08594	54.1
97.06526	31.0
97.10153	5.4
99.08092	4.9
105.07026	83.4
106.07433	3.9
107.04935	32.9
107.08582	29.2
109.06495	13.2
109.10172	12.0
111.04453	7.8
117.06990	14.6
119.08560	51.5
121.06462	8.6
121.10134	15.5
123.08035	18.1
123.11704	6.5
127.97449	3.9
129.07033	4.6
131.08559	26.8
133.10109	50.8
135.08054	9.9
135.11685	14.0
137.09579	8.9
139.07578	4.9
141.06998	4.4
143.08534	5.6
145.06476	10.7
145.10100	25.0
147.11691	20.1
149.09610	13.1
149.13231	7.2
151.11134	10.8
157.10092	7.8
159.11667	18.3
161.13222	6.4
163.11166	10.1
169.10101	7.8
171.11659	4.3
173.13225	5.2
177.12718	11.5
179.14270	14.3
183.11661	4.2
187.11116	6.9
211.95673	3.9
221.22870	3.9
239.42149	4.0
247.20602	6.4
257.18896	8.5
275.20047	74.2
293.21109	70.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2107
Annotation	12-OPDA
Peak:m/z	Relative Intensity
53.03962	1.2
55.01862	2.8
55.05503	11.8
57.03448	1.5
57.07067	1.7
67.05499	25.6
69.03425	1.2
69.07061	19.5
70.87818	1.4
70.88132	2.2
71.04997	1.8
79.05484	17.0
81.07048	26.3
83.04971	6.3
83.08610	2.6
85.06552	2.1
91.05464	19.3
93.07034	21.1
95.04957	8.6
95.08601	18.3
97.06524	3.7
97.10164	2.8
98.21062	1.3
103.05510	1.5
105.07018	21.9
106.04852	1.1
107.04945	5.5
107.08581	15.4
107.13365	1.1
109.06493	8.7
109.10165	6.8
116.17262	1.1
117.07007	5.3
119.08585	11.9
121.06497	9.2
121.10141	6.8
123.08031	7.4
123.11694	2.6
125.09641	1.8
129.06960	1.8
131.08557	13.1
133.06474	1.7
133.10114	16.5
134.10483	1.4
135.08043	4.6
135.11674	5.1
137.09567	2.2
139.97513	1.1
143.08534	2.7
145.06511	1.6
145.10106	9.0
147.08054	1.4
147.11659	12.9
149.09650	3.2
149.13239	2.8
151.11163	7.7
155.08578	1.3
157.10091	1.8
159.07994	1.6
159.11635	6.2
161.09619	3.5
161.13213	2.7
163.11191	4.4
163.14815	2.0
171.11688	2.4
173.09622	1.8
173.13228	4.3
175.11151	2.6
175.14890	1.1
177.12697	2.1
191.14297	2.2
197.13214	1.6
199.48363	1.2
201.12833	2.7
207.13803	3.1
219.13760	7.1
229.19440	1.7
231.17419	1.6
239.17924	3.4
247.20580	3.1
257.18961	15.0
275.20038	100.0
276.20377	3.1
290.53607	1.2
293.21072	26.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2107
Annotation	12-OPDA
Peak:m/z	Relative Intensity
53.03927	0.6
55.01876	2.5
55.05507	6.3
57.03431	0.8
57.07069	2.3
67.05501	5.9
68.90192	0.4
69.03416	0.4
69.07068	2.9
69.69187	0.3
70.95630	0.4
71.04993	0.7
71.08619	2.2
76.97147	0.4
77.56496	0.3
77.86826	0.3
79.05483	5.5
81.03392	1.8
81.07053	6.0
82.07378	0.5
83.04961	1.0
83.08611	3.3
85.02850	0.5
85.06548	0.7
91.05463	3.5
93.07040	4.0
95.04957	9.9
95.08582	3.8
97.06537	1.0
97.10169	2.1
98.21176	2.6
99.08067	1.4
105.07006	3.7
107.04938	3.7
107.08575	3.9
108.05719	1.5
109.06528	2.2
109.10154	1.7
111.04422	1.0
111.08068	1.1
117.07009	1.3
119.08571	2.5
121.06495	5.7
121.10110	2.0
123.08053	1.1
123.11700	0.5
125.05984	0.4
125.09644	3.4
131.08548	2.2
133.10139	2.3
135.08054	0.9
135.11668	1.1
137.09584	1.2
141.09131	0.6
142.11275	0.4
145.10120	1.9
147.07957	0.5
147.11659	1.1
149.09619	3.8
151.11150	6.2
153.05428	0.5
157.10106	0.4
159.11644	1.0
161.09671	0.4
161.13211	0.4
163.03894	0.5
163.11215	2.4
164.11995	1.0
165.12752	1.5
173.13283	0.6
177.12729	1.9
181.04919	0.7
187.11198	0.4
189.11223	1.3
191.10664	1.1
191.14256	0.3
193.12329	0.4
209.11630	2.1
223.13272	1.9
229.19456	0.6
237.11201	4.6
237.14888	1.2
241.10159	0.4
247.20544	0.5
251.19080	0.5
257.19003	1.6
275.20026	8.7
293.21082	100.0
294.21487	3.1
296.91953	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2108
Annotation	12-OPDA
Peak:m/z	Relative Intensity
52.36085	2.5
53.03937	7.7
54.14650	2.9
55.01862	13.2
55.05269	3.9
55.05511	46.0
57.03442	3.5
57.07066	6.0
59.94475	2.4
65.03936	3.6
67.05501	63.2
69.03407	5.4
69.07067	26.2
70.37460	8.9
70.37853	6.7
71.04983	7.0
76.71008	2.7
77.55106	2.9
79.05488	52.0
81.03423	17.0
81.07050	70.9
81.07529	3.9
83.04961	13.9
83.08612	37.0
83.67420	2.8
85.06520	4.1
91.05476	35.6
93.07042	53.7
95.04956	39.4
95.08598	43.6
97.06532	12.1
97.10164	9.0
99.08090	4.6
105.07034	38.8
107.04969	22.8
107.08586	31.7
109.06519	16.5
109.10153	26.9
111.08086	12.2
112.45540	2.5
117.07034	13.7
119.08558	27.9
121.06488	8.5
121.10143	18.0
123.08100	14.3
123.11717	3.8
125.09599	9.3
131.08527	17.9
133.10106	27.9
135.08064	8.9
135.11659	14.6
137.09615	10.9
143.08502	4.6
145.06512	3.2
145.10106	16.4
146.71658	3.0
147.08023	6.4
147.11687	13.0
149.09596	28.1
151.11235	18.3
155.08537	3.7
157.10078	3.9
159.11708	11.8
160.81197	2.8
161.09636	5.1
161.13310	5.0
163.11176	27.2
165.12759	6.6
169.10036	2.7
173.09569	5.1
173.13264	6.7
175.11209	3.6
177.09070	3.3
177.12775	7.0
179.10696	3.2
187.11220	4.2
188.07826	3.4
189.11192	7.1
191.10724	4.0
197.13194	4.0
207.13803	3.2
209.11790	3.2
229.19495	6.5
237.11069	4.0
239.17941	8.1
247.20470	6.0
257.18985	19.2
270.11316	3.3
275.20044	100.0
293.21091	87.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2108
Annotation	12-OPDA
Peak:m/z	Relative Intensity
53.03940	4.8
55.01866	7.4
55.05507	24.1
57.03425	3.9
57.07073	3.4
67.05504	48.1
69.03415	3.6
69.07062	19.5
69.66048	8.0
69.66470	5.7
71.04991	4.8
74.98619	1.9
79.05492	43.3
81.03423	9.9
81.07054	100.0
83.04980	7.4
83.08614	12.4
85.06546	3.2
91.05479	29.7
93.07040	29.0
95.04960	19.0
95.08601	28.4
97.06537	7.1
97.10162	4.6
99.08042	2.3
105.07024	33.4
107.04962	7.0
107.08585	16.7
109.06515	29.1
109.10150	17.8
111.08106	7.6
117.07022	8.2
119.08581	32.2
121.06499	6.1
121.10143	13.2
123.04441	4.9
123.08061	15.9
123.11711	11.1
124.44205	1.9
125.09587	4.6
129.07011	3.9
131.08548	11.9
133.06456	2.3
133.10136	20.7
135.08066	6.6
135.11694	6.9
137.05968	25.5
137.09583	9.5
143.08658	2.8
145.10117	13.1
147.11678	20.3
149.09644	11.2
149.13234	3.4
151.11186	6.2
151.72925	1.7
153.09013	2.1
155.08485	2.1
157.10124	4.1
158.57343	2.0
159.08211	2.0
159.11681	8.8
161.09555	2.6
161.13274	3.9
163.11168	8.2
165.12761	2.9
169.10219	2.1
173.09654	2.6
173.13248	5.3
175.11182	3.7
177.12688	2.3
183.11684	3.8
187.11221	2.5
191.10609	2.9
209.11804	2.1
229.19559	2.6
233.19183	2.9
239.17966	4.0
247.20560	6.4
257.18997	7.1
275.20044	64.9
293.21118	38.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2107
Annotation	12-OPDA
Peak:m/z	Relative Intensity
52.10357	2.0
53.03939	7.0
55.01860	7.0
55.05505	19.4
60.56515	2.3
65.03961	2.0
67.05498	34.5
69.07061	17.7
70.34943	6.2
71.04986	4.0
71.47266	2.1
79.01411	2.1
79.05483	39.3
81.03403	6.6
81.07047	100.0
83.04975	5.8
83.08605	13.6
84.68739	1.9
85.06538	3.8
91.05468	26.1
93.07041	22.7
95.04955	19.2
95.08587	20.3
97.06523	4.4
99.08060	3.1
102.54626	2.3
105.07019	23.7
107.04954	9.5
107.08586	13.2
108.23793	2.2
109.06513	38.1
109.10158	7.7
111.08047	3.4
117.07004	6.5
119.08568	19.2
121.06470	5.9
121.10148	9.2
123.08076	10.1
123.11724	3.0
125.09594	2.3
129.06982	3.8
131.08578	13.7
133.10097	14.8
135.08031	3.8
135.11668	4.4
137.09628	5.4
145.10092	7.0
147.11684	13.9
149.09636	10.1
149.13280	2.9
151.11214	3.6
157.10155	4.5
159.11710	4.8
161.13316	2.9
163.11182	7.4
163.14912	2.4
165.12779	4.5
173.09647	2.9
174.15297	2.1
177.12921	3.0
179.14386	3.2
193.12250	2.7
233.26657	2.1
247.20496	4.7
257.18945	4.9
275.19998	46.3
277.36209	2.2
293.21109	22.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2107
Annotation	13-epi-12-oxo Phytodienoic Acid
Peak:m/z	Relative Intensity
53.03933	8.0
55.01866	11.9
55.05506	23.9
57.03414	5.8
65.03919	4.9
67.05141	2.3
67.05496	42.7
69.03410	3.9
69.07057	22.4
70.16676	8.9
71.04967	4.6
71.08627	1.5
74.45249	1.7
74.56344	1.6
79.05484	42.6
80.75585	1.6
81.03401	11.3
81.07045	100.0
83.04950	6.1
83.08612	13.3
85.06530	3.8
88.74436	1.6
90.33364	1.8
91.05466	31.3
93.07029	31.0
95.04961	22.3
95.08601	27.6
95.98473	1.7
97.06513	11.0
97.10173	3.8
99.08076	2.7
105.07023	27.6
107.04946	12.3
107.08580	20.4
109.06503	35.4
109.10158	11.8
111.08047	5.6
117.06976	6.7
119.08551	20.7
121.06468	3.8
121.10115	10.1
123.08034	12.6
123.11670	4.7
125.09621	3.0
129.06972	2.2
131.08589	11.6
133.10118	18.7
135.08037	6.4
135.11665	7.3
137.09618	6.7
137.13251	2.5
143.08611	2.1
145.06451	1.7
145.10083	10.0
147.08038	3.1
147.11676	16.3
149.09605	13.2
149.13243	4.8
151.11191	6.9
157.10086	4.6
159.11633	10.5
161.13258	4.0
163.11188	11.3
165.12733	5.0
171.11697	3.1
173.09488	2.4
173.13240	4.0
175.11150	5.2
177.12740	4.6
179.14296	2.1
193.12187	3.9
197.13272	2.3
205.15741	1.9
221.76338	1.5
223.13293	4.5
229.19383	2.4
237.14818	1.8
239.17848	3.8
247.20505	6.0
257.19009	9.9
275.20035	57.5
275.23041	3.0
293.21091	44.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2107
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03934	4.2
54.78905	2.1
55.01877	11.7
55.05508	74.9
57.03418	3.2
59.77647	2.2
62.90117	2.2
65.03922	3.4
66.05935	2.5
67.05500	40.5
69.03397	3.6
69.07062	16.0
71.04976	3.3
71.35600	3.8
71.35913	3.0
79.05488	59.0
81.03401	9.0
81.07046	39.2
83.04973	7.5
83.08614	41.2
85.02901	2.6
85.05720	2.3
91.05473	29.2
93.07032	38.8
95.04957	100.0
95.08602	16.7
97.06495	3.1
97.10161	31.1
105.07034	28.7
107.04960	14.5
107.08587	42.3
109.06503	7.8
109.10158	12.4
111.08068	8.1
117.07021	9.2
119.08567	14.7
121.06498	5.4
121.10129	16.8
122.88391	2.4
123.08069	6.0
123.11679	2.3
125.09604	27.7
129.06999	3.2
131.08574	14.6
133.10132	15.3
135.08069	7.8
135.11694	6.5
137.09653	3.8
143.08531	2.6
145.10114	18.5
147.08051	5.2
147.11674	11.1
149.09605	75.4
153.09068	2.9
159.11717	9.3
161.13280	3.8
163.11182	27.7
169.10114	2.9
171.11670	2.8
177.12720	6.5
187.11128	5.8
189.11192	19.3
205.12277	4.4
223.13281	40.8
223.73793	2.6
229.19362	5.9
239.18253	2.8
247.20610	4.9
257.19046	10.6
275.20047	82.1
291.30829	2.5
293.21075	65.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2107
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03942	5.9
55.01865	7.9
55.05510	24.2
57.07063	2.2
58.78425	2.3
60.14550	2.0
67.05503	35.9
69.07068	17.4
70.38174	8.1
71.36908	1.9
71.40900	2.1
71.91254	2.0
79.05074	3.7
79.05489	38.2
81.03416	10.2
81.07048	100.0
83.04974	5.3
83.08607	22.9
91.05478	31.9
93.07034	25.8
95.04961	23.4
95.08595	22.1
97.06517	7.6
97.10154	5.2
105.07037	25.1
107.04939	14.8
107.08578	15.5
108.93651	2.2
109.06505	47.1
109.10151	9.2
111.08092	6.0
116.25257	1.9
117.07011	8.4
119.08583	19.6
121.06464	7.8
121.10123	13.8
123.08062	9.2
123.11666	2.8
131.08559	12.7
133.10115	17.7
135.08011	4.9
135.11665	7.0
137.09583	3.1
143.08569	2.5
145.10100	14.0
147.08066	3.1
147.11693	16.6
149.09576	14.2
149.13258	7.4
151.11179	3.4
157.10074	3.4
159.11696	7.9
161.13280	4.1
163.11191	12.5
165.12747	6.8
173.13260	5.3
175.11101	3.9
177.12689	3.5
183.11646	2.8
193.12224	2.8
223.13319	6.3
229.19434	4.0
239.17874	4.6
247.20528	6.3
257.18979	12.1
275.20029	82.3
276.20450	4.0
293.21085	44.0
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	12-OPDA
Peak:m/z	Relative Intensity
53.03945	7.1
55.01865	20.6
55.05508	34.8
57.03441	4.6
57.07090	2.6
65.03916	2.5
67.05502	39.9
69.03412	3.9
69.07058	21.6
70.47189	6.5
71.05000	2.4
79.05489	53.9
80.17783	2.6
81.03415	9.5
81.07044	39.1
81.68333	2.3
82.39434	2.2
82.74198	2.6
83.04992	5.0
83.08617	11.1
91.05473	35.9
93.07047	36.4
95.04972	16.2
95.08582	20.6
97.06537	31.2
97.10144	15.9
105.07019	40.9
107.04939	9.7
107.08587	77.8
109.06528	7.1
109.10162	10.2
111.08091	2.4
117.07008	10.1
119.08570	21.8
121.06500	4.8
121.10126	10.7
123.08058	7.1
123.11697	5.8
125.09622	13.7
131.08556	16.9
133.10123	18.9
135.08064	8.2
135.11688	7.8
136.89999	2.6
137.05956	16.6
137.09570	3.3
145.10104	16.7
147.11662	16.7
149.09633	25.5
151.11176	7.8
159.11691	10.5
161.13329	5.8
163.11177	9.4
165.09167	7.3
171.11720	3.4
173.13258	4.9
175.14891	2.3
177.12766	2.8
187.11195	4.8
189.11188	12.9
205.12250	2.4
225.85609	2.5
227.07332	2.7
229.19521	3.8
239.17873	4.8
247.20517	6.5
257.18988	11.8
275.20047	100.0
276.20276	3.3
293.21130	20.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1857
Annotation	Carteolol
Peak:m/z	Relative Intensity
53.52459	0.3
55.05496	1.3
56.05024	0.8
56.96553	0.4
57.07060	0.7
58.06596	2.5
60.04515	0.4
67.05499	0.9
69.03423	0.4
69.07053	0.7
69.40775	4.0
69.71229	0.4
70.06583	4.7
71.06914	0.4
72.08141	2.3
73.06545	0.4
74.06078	0.8
79.05491	0.4
79.16128	0.4
81.03382	0.4
81.07054	0.5
83.06123	0.4
84.04494	1.1
84.08134	4.1
86.09694	3.0
91.05476	5.7
95.08585	0.4
98.21062	2.1
105.03376	0.5
105.07013	0.4
106.92419	0.3
109.06532	0.5
110.07159	1.1
112.11249	0.8
116.07062	0.5
118.30415	0.4
119.04933	13.9
120.08087	0.8
129.10211	1.5
130.06517	0.4
130.08600	0.6
130.12277	4.8
136.07553	0.7
146.06013	0.5
147.04393	100.0
147.14896	6.4
148.04721	2.1
155.55952	0.5
173.12930	0.8
182.97725	0.4
204.10187	66.4
205.03592	0.4
205.10503	1.8
275.17371	0.6
275.20096	0.7
276.16019	2.2
293.18564	46.1
294.18915	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2108
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03932	16.4
55.01853	18.6
55.05507	82.4
62.55457	6.4
67.05501	70.9
69.07047	19.0
71.16640	11.9
79.05481	74.7
79.94092	6.9
81.03394	29.3
81.07050	77.4
83.08614	57.4
89.61604	6.8
91.05485	44.2
93.07026	46.8
95.04951	75.5
95.08597	43.4
97.06505	9.8
97.10139	25.7
105.06998	25.9
107.04939	24.0
107.08559	51.5
109.06493	17.9
109.10139	20.2
111.08062	12.8
117.06998	13.8
119.08578	32.7
121.06488	8.2
121.10105	21.0
123.08088	11.7
125.09659	33.2
131.08551	19.7
133.10129	20.9
135.08069	7.6
135.11674	10.3
137.09621	8.6
145.10107	33.2
147.11661	19.3
149.09634	50.1
151.11046	8.4
159.11594	11.8
161.13240	10.3
163.11166	34.4
173.09563	13.0
173.13264	9.3
187.11241	10.0
189.11136	9.6
189.75887	8.0
223.13289	22.9
229.19386	8.7
239.17856	9.0
247.20534	8.6
257.18961	20.7
275.20035	100.0
293.21176	95.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2108
Annotation	12-OPDA
Peak:m/z	Relative Intensity
50.76880	2.5
53.03954	5.8
55.01865	8.6
55.05509	30.7
57.03447	4.0
57.53811	2.8
65.03915	2.6
67.05501	42.9
69.03400	2.9
69.07077	20.4
69.56831	20.9
79.05492	38.7
81.03410	14.8
81.07048	55.9
83.04966	5.7
83.08607	31.4
85.06526	4.1
90.41340	2.8
91.05463	31.1
93.07040	37.2
95.04974	35.6
95.08593	27.1
97.06520	6.0
97.10166	6.5
105.07015	36.7
105.08196	3.0
106.60537	2.8
107.04943	12.2
107.08598	29.4
109.06521	15.2
109.10147	15.8
111.08086	6.6
117.07011	10.6
119.08566	24.3
121.06512	6.3
121.10137	14.3
123.08018	5.7
125.09621	7.5
129.06975	4.5
131.08565	14.4
133.10109	21.3
135.08017	5.0
135.09814	2.9
135.11684	8.6
137.09583	5.8
143.08588	3.6
145.10086	13.2
147.11649	16.8
149.09598	28.9
151.11137	5.2
155.08600	2.8
159.11667	12.1
161.13272	6.1
163.11128	15.7
165.12691	4.3
169.10133	3.2
171.11607	4.4
173.09619	4.6
173.13260	7.6
175.11243	3.1
189.11249	6.1
215.14323	4.1
223.13306	11.5
229.19643	3.7
239.17918	4.7
247.20557	6.0
257.19016	13.3
275.20044	100.0
276.20374	3.1
293.21112	47.8
294.21484	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	293.1381
Annotation	40321-98-0
Peak:m/z	Relative Intensity
53.00335	0.3
53.03926	1.1
55.05509	23.2
65.03937	1.8
67.05480	0.8
69.07035	0.4
69.98594	0.7
69.99007	1.2
73.06554	9.2
76.23863	0.3
79.05494	0.4
91.05480	2.7
93.03381	0.7
93.07037	0.4
98.20731	0.3
102.81266	0.3
107.08600	0.3
109.10134	0.3
111.04449	0.6
116.06206	0.4
119.08589	0.5
121.02858	6.8
121.03855	0.5
128.06253	0.4
129.07004	3.2
131.08560	2.3
133.02766	0.5
141.12810	0.3
143.04915	1.3
147.08064	0.5
148.67848	0.3
149.02333	100.0
150.02673	1.1
157.06537	0.6
161.05988	4.4
167.03415	1.0
175.07533	17.1
176.07799	0.3
185.05971	1.2
203.07022	18.2
204.07439	0.5
207.71077	0.3
216.93018	0.3
221.08138	0.5
228.29224	0.3
275.12817	2.0
293.13818	2.1
293.19290	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1379
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.9
54.98106	0.3
55.01862	0.3
55.05505	19.1
56.05807	0.3
65.03922	1.5
65.31547	0.3
65.41264	0.2
67.01852	0.2
67.05495	0.7
69.07075	0.4
71.04987	0.6
71.31017	0.4
71.31348	0.3
73.06544	4.2
79.05487	0.5
80.88486	0.2
81.03400	0.2
81.07058	1.4
83.04967	0.6
85.02904	0.7
86.09682	0.9
91.05475	1.8
93.03378	1.0
93.07021	0.6
95.04952	0.5
95.08588	1.1
97.06509	0.7
103.05421	0.5
105.03390	0.6
105.07018	0.6
107.04934	0.3
107.08575	0.6
109.10149	0.8
110.57642	0.2
111.04427	0.6
117.07063	0.3
119.08611	0.4
120.08111	1.5
121.02856	7.1
121.03928	0.8
121.10134	0.5
123.08012	0.3
129.03317	0.4
129.06975	2.2
131.08540	2.2
133.10072	0.7
134.55809	0.3
135.11679	0.4
143.04903	0.9
147.08058	0.6
147.11717	0.3
149.02324	100.0
150.02654	1.4
155.08533	0.3
157.06442	0.7
161.05952	4.2
163.03909	0.9
167.03400	1.5
175.07539	12.7
176.07809	0.3
180.10222	0.9
181.04906	0.9
185.05971	0.6
190.05049	0.3
203.07013	11.8
221.08066	4.7
265.08578	2.4
267.02765	0.3
275.12769	0.9
275.19983	0.8
293.04437	1.0
293.08047	10.3
293.13651	4.2
293.21091	0.5
294.08350	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1228
Annotation	Itoside L
Peak:m/z	Relative Intensity
53.03939	4.4
53.10938	2.2
55.01850	5.3
55.05505	3.6
56.96536	2.6
57.03424	8.4
57.07071	10.8
59.14280	2.1
61.02918	9.1
63.63750	2.3
66.61158	2.7
67.05496	32.2
69.03426	17.5
69.07056	6.7
70.06575	9.6
70.07583	13.1
71.04990	8.2
72.08144	6.9
73.02894	4.2
78.75107	2.2
79.05483	7.2
81.03397	6.8
81.07050	22.4
83.06104	4.1
83.08601	4.1
84.04498	9.9
84.08131	9.4
85.02898	78.0
85.06528	8.4
86.09698	3.0
87.04456	3.4
91.03921	4.0
91.05462	8.8
93.07022	5.8
95.04965	28.8
95.08607	14.3
97.02882	20.5
97.06529	4.0
98.20750	2.6
98.21276	3.7
99.04459	4.7
105.07019	3.4
107.04927	4.4
107.08580	2.9
109.02848	7.4
109.10124	12.2
112.11208	2.6
113.05993	48.5
119.04940	7.2
119.08598	4.3
120.08081	6.8
121.10165	3.8
123.11660	4.7
127.03901	14.8
130.04982	5.7
131.07031	100.0
131.11360	4.9
145.04938	12.3
145.10114	3.7
147.04375	21.8
156.11736	4.2
162.52403	2.3
173.05974	2.5
173.13329	3.2
177.05482	2.8
199.51775	2.1
249.15910	3.4
275.20078	6.9
276.13559	3.4
277.11639	2.6
293.10571	2.4
293.11670	3.2
293.14969	33.6
293.21066	6.7
293.24454	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1378
Annotation	40321-98-0
Peak:m/z	Relative Intensity
53.03931	1.0
55.01863	0.5
55.05503	21.4
56.05827	0.3
56.96525	0.3
57.07062	0.6
59.04987	0.3
65.03914	1.9
67.05493	2.6
69.03403	0.4
69.07043	2.1
70.06569	1.0
70.86887	0.9
71.04977	0.8
72.08143	0.3
73.06544	4.4
79.05481	2.4
81.03403	0.7
81.07041	4.1
83.04955	0.5
83.08593	1.0
84.08142	0.5
85.02879	0.3
85.06503	0.5
88.31399	0.3
89.46990	0.3
91.05458	3.4
93.03384	0.5
93.07028	2.7
95.04963	1.4
95.08594	4.0
96.08910	0.3
97.06511	0.7
97.10140	1.0
99.08068	0.5
103.05487	0.3
105.07023	2.3
107.04943	0.6
107.08581	3.1
109.02832	0.3
109.06489	0.8
109.10143	2.4
111.04411	1.0
111.08078	0.4
116.06312	0.3
116.07091	0.6
117.06996	0.9
119.08561	1.5
121.02054	0.5
121.02855	6.4
121.03833	0.4
121.06428	0.6
121.10110	1.8
123.08043	1.2
123.11672	0.7
125.09630	0.4
129.06975	2.0
131.08551	3.0
133.06451	0.3
133.10117	1.2
135.08029	0.6
135.11670	1.0
137.09593	0.6
137.13229	0.6
143.04890	1.0
143.08553	0.3
145.10101	0.7
147.08028	0.5
147.11632	0.7
149.02316	100.0
149.09615	0.9
149.13255	1.1
150.02686	1.3
157.06427	0.7
157.10040	0.3
159.08017	0.4
159.11662	0.8
161.05933	4.1
161.13370	0.6
163.11147	0.3
167.03377	2.1
169.10085	0.3
173.09528	0.3
173.13211	0.5
175.07520	13.0
175.14928	0.3
176.07870	0.4
177.12773	0.4
179.64465	0.3
183.11661	0.4
185.05946	0.7
190.05017	0.7
196.13284	1.0
203.06987	11.7
221.08046	4.4
229.19595	0.3
247.20541	0.3
257.18912	0.8
259.89392	0.3
265.08438	0.5
266.12106	1.2
269.05829	0.3
275.12753	0.9
275.20044	2.3
293.08005	1.4
293.13840	4.0
293.21088	1.5
293.24585	0.5
294.08517	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.063
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50178	1.6
57.48335	1.7
60.81641	1.8
69.33092	1.6
70.33038	4.0
70.33434	3.2
140.56461	1.7
154.85356	1.8
161.02884	2.0
161.99431	2.5
293.06271	100.0
294.06644	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	293.1158
Annotation	N 98-1021A
Peak:m/z	Relative Intensity
53.03933	1.6
55.01868	4.9
55.05488	3.9
59.04974	1.2
60.04507	2.6
60.29029	1.0
60.67808	0.9
61.01144	13.4
67.05488	4.2
69.03422	2.3
69.07052	3.8
69.09163	1.0
70.06582	5.3
71.04987	2.9
71.06127	1.5
71.74218	1.1
71.74580	1.1
72.04518	13.2
72.08136	4.7
73.02888	1.5
78.03783	29.3
79.05471	3.7
81.03405	3.6
81.07056	5.3
83.04958	2.9
84.04459	1.5
84.08145	8.6
85.02893	20.7
86.06054	3.7
86.09691	3.5
91.05437	1.5
93.07041	2.3
94.06570	1.0
95.08581	3.4
97.06532	3.7
98.06034	1.6
98.09679	1.2
99.04453	13.9
102.03754	49.1
103.02143	3.4
103.03931	37.3
104.01682	2.4
105.03376	1.6
105.07021	3.7
107.08607	2.0
108.04511	1.0
109.02868	6.2
109.06505	1.3
109.10184	1.3
110.06007	1.2
110.07127	1.8
112.07625	1.2
114.03744	4.7
114.05509	3.2
118.03197	1.3
119.08572	1.8
120.04807	7.5
120.08102	1.7
121.06480	1.3
121.10081	2.2
123.08033	1.4
123.11733	1.4
126.05504	38.8
127.03911	13.6
129.10222	1.2
131.04889	1.1
131.06377	21.1
131.08499	1.6
132.04768	18.3
133.10121	2.1
135.08072	1.3
137.13257	1.0
139.03940	1.0
141.06628	2.0
145.04922	1.6
145.10117	1.2
147.05856	1.9
149.07425	100.0
152.07062	4.5
154.08615	5.1
156.06522	1.8
158.02750	2.3
160.07593	1.0
162.02213	1.4
163.11121	1.1
175.05309	5.9
180.06544	31.5
191.08568	1.6
197.95810	1.1
198.07545	7.0
216.08653	5.1
222.08028	1.3
227.13823	1.0
227.29858	1.0
231.11615	6.9
233.09528	2.4
256.88837	1.2
257.09503	3.9
275.10590	6.5
275.13351	1.5
275.20105	3.1
293.11642	73.0
293.14569	3.3
293.21027	1.6
294.11826	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.063
Annotation	Unknow
Peak:m/z	Relative Intensity
56.99100	3.7
66.53559	3.2
70.20327	11.8
70.20739	7.4
84.30427	3.7
97.36647	3.3
98.20779	5.4
98.21343	4.7
105.70445	3.9
110.07148	4.9
117.59537	4.0
121.53799	3.5
138.68498	3.8
143.01920	5.5
148.47908	3.9
161.03017	7.1
173.02916	7.3
188.91512	11.9
203.60915	3.5
243.86658	4.7
248.62865	5.2
293.06287	100.0
293.09305	5.9
293.14807	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	292.1903
Annotation	eucatropine
Peak:m/z	Relative Intensity
55.05488	0.7
55.80518	0.2
62.53810	0.2
67.05490	0.6
69.07060	0.2
70.06579	0.2
79.05462	0.3
80.04971	0.2
81.07051	0.4
89.07932	0.2
91.05466	1.8
92.04993	3.7
93.05738	0.7
94.06544	1.0
95.08611	0.2
106.06559	1.3
106.17607	0.2
109.10129	0.4
117.05740	1.5
118.06531	15.4
119.07354	1.9
119.08572	0.3
120.08074	1.1
130.06517	1.1
131.07285	0.3
132.08051	1.7
133.08867	0.3
134.09628	0.6
144.08080	0.8
146.09615	1.0
158.09521	0.4
160.11227	0.3
162.09126	13.8
163.03868	0.2
163.09914	3.0
164.10658	0.6
173.09610	0.2
173.13141	0.2
175.08640	0.7
176.10655	0.5
176.14301	0.6
184.07080	0.2
190.08585	0.4
192.05783	0.2
202.15869	3.5
208.56610	0.2
230.15384	17.7
231.15762	0.7
234.07716	0.3
246.14915	0.5
248.16406	1.4
265.08533	0.7
274.17953	0.4
292.15604	6.3
292.19022	100.0
293.08002	2.8
293.15958	0.3
293.19302	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	292.1217
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01831	0.6
55.05457	0.7
56.96484	30.4
56.96797	4.5
61.05403	0.6
67.05410	0.7
71.42147	1.1
71.95178	3.5
72.95991	1.4
81.45125	0.5
83.04885	0.7
93.06901	0.8
105.06975	0.7
107.08500	0.9
109.06457	0.7
110.97481	0.7
115.00650	0.7
123.01127	0.6
124.04263	0.5
125.37066	0.6
128.98538	0.8
131.08559	0.7
133.01659	0.7
137.02679	1.3
141.02164	1.0
146.99568	0.7
155.03732	2.7
159.03271	1.4
169.05299	0.6
171.03238	1.1
173.04758	0.9
175.06274	0.6
185.04744	1.0
187.06363	1.7
189.04201	0.9
191.05804	0.8
195.06909	1.8
199.06325	1.9
203.05858	1.1
211.09932	0.7
213.07964	16.0
214.08255	0.7
217.07431	2.2
221.08493	1.2
223.10025	1.3
225.07939	5.0
231.09029	24.4
236.09529	2.2
239.09497	4.8
243.09018	5.4
248.09579	0.7
251.09468	14.2
251.11983	0.8
254.10542	1.0
257.10620	4.6
269.10590	100.0
270.10849	3.4
274.18887	0.8
287.11642	44.6
288.11993	1.4
292.12195	19.1
292.19986	1.7
293.12445	1.3
294.58954	0.6
310.13235	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	292.129
Annotation	H-TRP-SER-OH
Peak:m/z	Relative Intensity
56.05042	1.6
57.07060	2.1
60.04519	28.7
67.05487	2.1
70.02938	4.5
70.06590	8.2
71.68369	3.3
72.08134	2.9
81.03416	1.5
81.07001	1.4
81.63379	1.5
84.04521	2.2
84.08143	9.7
85.04012	6.2
86.09692	2.7
91.05469	3.3
110.07146	4.2
115.04993	7.7
118.06519	14.2
119.04939	1.9
120.08068	2.2
129.10248	4.1
130.06514	13.1
132.08061	16.4
136.07545	1.7
142.06587	1.7
144.08083	15.4
146.05992	60.3
147.04405	4.9
149.06012	1.7
158.08366	1.7
159.09167	12.4
160.07605	2.1
170.06026	8.5
183.09181	1.6
187.08636	4.1
188.07056	100.0
189.07343	1.7
204.10120	2.2
205.09712	45.4
245.09181	2.8
246.12349	11.5
274.11844	2.7
283.42371	1.5
292.12906	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	292.1387
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79494	3.8
53.03924	6.8
55.01854	7.0
55.05488	13.1
56.05027	3.8
57.03434	20.8
58.21189	3.7
61.02918	34.6
67.05482	14.5
68.05020	7.3
69.03410	5.2
69.07041	7.0
70.06586	27.3
71.04977	4.9
71.74413	7.5
72.08138	14.3
73.02902	8.7
79.05477	14.4
81.03411	8.6
81.07040	16.9
83.08612	5.9
84.04492	21.9
84.08110	13.8
85.02892	7.3
86.09679	11.2
86.99032	7.3
87.04449	13.4
91.03949	17.8
91.05459	25.7
93.07058	19.6
93.57940	3.5
95.04991	9.0
95.08581	6.0
97.06525	6.0
98.06059	9.0
98.09699	4.3
100.07587	7.0
105.07024	20.8
106.07286	4.1
107.04956	19.7
107.08569	16.4
109.06495	16.4
109.10110	7.3
111.08071	82.5
114.05516	11.9
116.07063	5.6
117.06991	3.8
119.08559	16.9
120.08105	8.2
120.08890	4.9
121.06469	4.2
121.10110	5.7
123.04405	4.6
123.08051	11.2
124.07603	4.6
128.07069	8.9
130.04936	4.0
130.92572	4.8
131.06927	3.9
131.08583	7.1
133.06471	19.2
137.05960	16.7
138.08984	4.3
139.07558	6.6
147.07985	7.0
151.07526	7.6
152.07028	7.1
155.06995	6.2
159.08089	5.5
159.11650	5.2
160.11250	5.4
162.12894	6.3
164.07069	5.3
165.09079	6.1
169.08627	7.4
176.14290	6.5
188.07068	4.4
192.10129	6.4
196.05931	4.5
206.11716	6.9
208.13229	4.9
211.09618	58.3
212.16441	6.4
217.92459	4.0
218.08131	8.8
220.13297	24.2
221.08104	4.7
229.10684	28.8
230.17520	23.3
234.14828	21.4
239.09109	16.1
246.11455	4.1
257.07520	6.1
257.10190	100.0
260.07782	4.5
274.10602	9.7
274.16367	6.4
292.06964	5.1
292.11752	6.7
292.19046	59.7
292.22385	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	291.3043
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	4.2
55.05514	18.4
57.07075	13.2
59.90239	3.7
64.49983	2.6
65.03930	3.3
67.05499	23.9
69.07069	25.1
70.33158	10.0
71.08632	6.7
79.05479	22.6
81.07050	100.0
83.08611	17.8
83.70333	2.5
88.17383	2.6
91.05473	12.3
93.07044	11.2
95.04984	7.9
95.08600	84.3
97.10162	15.5
98.07095	2.8
105.07026	10.3
107.08588	6.3
109.10140	26.3
111.11724	5.7
117.07004	7.8
119.08549	18.2
121.06493	9.3
121.10108	4.3
123.08089	3.7
123.11705	9.5
131.08563	6.2
135.08051	4.5
137.13255	5.2
142.96860	2.6
142.97964	2.9
143.08578	4.4
143.09859	2.9
145.10143	7.6
147.08046	8.5
149.09618	4.9
157.10135	7.8
161.09558	3.6
171.11588	3.1
175.14764	3.0
185.13255	5.7
203.14352	4.4
231.13771	3.1
242.01521	2.6
249.14854	9.7
273.18500	13.5
291.19540	33.9
291.30405	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	291.2063
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03880	1.1
54.03410	1.2
55.01813	1.1
55.04169	0.7
55.05423	4.8
56.04946	0.8
65.03863	0.9
67.05409	12.8
67.05793	1.3
68.04932	2.0
69.03355	0.6
69.04469	1.5
69.05715	0.9
69.06970	3.8
70.06494	40.6
70.06918	4.3
70.44031	1.9
70.44375	0.7
71.04919	1.1
73.54871	0.6
79.05388	8.9
80.04915	3.8
80.68985	0.6
81.06951	14.9
82.06472	4.3
82.07296	0.7
83.04861	1.0
83.07258	8.0
83.07788	1.3
83.08520	1.7
84.08063	1.2
85.06481	1.3
91.05470	8.0
92.05737	0.6
93.05707	0.7
93.07028	9.6
94.06538	3.0
95.04865	2.4
95.06019	0.9
95.07260	0.6
95.08601	8.0
96.08035	1.5
97.06412	2.0
105.07018	4.9
106.06542	2.9
107.06052	0.8
107.08586	3.8
108.06862	0.8
108.08096	17.1
109.06403	1.4
109.07627	21.6
109.08322	0.9
109.10052	1.2
110.09608	0.9
111.07942	0.8
117.06995	3.7
118.06458	1.5
119.08463	2.3
120.08091	9.4
121.06453	1.1
121.07400	0.6
121.08782	1.3
122.09550	2.9
123.07971	1.1
128.06107	1.0
131.08560	3.2
131.09303	0.6
132.08031	0.8
133.07513	1.5
133.10020	2.3
134.08362	0.7
134.09526	2.9
135.08083	1.6
135.09145	15.4
135.10167	1.1
135.11642	4.4
136.11197	4.9
141.06915	1.4
143.08487	1.5
145.10043	2.2
147.07942	0.7
147.09073	0.7
149.13132	1.7
157.10011	1.7
158.09595	0.9
159.11589	2.6
170.14191	0.6
177.12714	1.0
185.13162	1.4
186.12589	1.5
193.12158	1.0
203.14198	1.0
246.18597	3.3
260.34503	0.6
262.18008	1.1
264.19562	87.1
265.19940	3.3
273.18512	0.9
291.20636	100.0
292.20926	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	291.2314
Annotation	sterculynic acid
Peak:m/z	Relative Intensity
53.03947	5.1
53.04137	0.9
54.20476	1.1
55.01865	1.8
55.05502	16.6
55.72898	0.9
57.07054	2.4
59.04957	1.6
65.03931	2.2
67.05147	2.0
67.05495	39.0
67.97377	1.0
69.03406	1.7
69.07057	19.5
70.13827	5.3
71.04977	1.2
73.06549	1.6
77.03886	1.6
79.05485	67.7
81.07048	50.1
83.04961	1.8
83.08611	9.9
85.06489	3.3
85.13027	1.0
89.10049	1.0
91.05469	25.9
92.62623	0.9
93.07031	100.0
94.07333	1.3
95.04957	9.4
95.08595	31.9
97.06496	3.1
97.10137	4.5
99.08053	1.7
101.06006	1.5
105.04447	1.7
105.07018	18.4
107.04951	1.9
107.08577	58.5
109.05762	1.0
109.06501	3.3
109.10145	14.5
111.08110	2.0
117.06982	4.1
119.08562	16.3
121.06493	2.4
121.10128	41.1
121.18197	1.0
123.08056	2.2
123.11646	3.5
125.09623	1.8
129.07001	3.1
131.08583	7.7
133.10094	13.9
135.08009	2.8
135.11678	51.7
137.09619	2.1
139.11200	1.1
139.12428	1.0
143.08507	3.7
145.10081	5.5
147.11662	13.4
149.09599	2.9
149.12090	1.9
149.13231	27.0
150.13518	1.5
153.09015	1.0
157.10080	4.4
159.11653	6.1
161.13245	8.8
163.11092	3.4
163.14784	10.5
165.12718	1.1
171.11613	3.7
173.13268	2.8
175.11180	1.3
175.14847	6.0
177.12691	2.8
181.12421	1.1
183.11662	1.9
185.13232	3.2
187.14751	1.5
189.12730	1.4
193.15820	1.4
195.13815	1.0
199.14796	2.2
203.14258	2.9
207.13734	1.6
209.15248	1.3
213.16344	2.0
217.19438	2.8
219.93297	0.9
221.15364	1.4
222.18040	1.0
231.21013	1.6
235.16856	1.9
241.19653	5.4
241.21623	1.0
249.18443	1.9
259.20453	8.2
291.19577	8.2
291.23111	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	291.1952
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39264	4.6
55.05483	5.8
57.07065	81.1
66.80927	4.5
67.05470	8.8
70.11214	25.0
76.98647	5.0
79.05476	8.4
81.07050	13.0
83.08572	6.0
85.06514	4.7
91.05489	12.5
92.68484	4.8
93.07047	8.7
95.08586	10.6
96.92255	4.7
98.09485	4.4
98.91133	5.1
105.07030	14.4
107.08598	12.6
113.63546	5.3
119.04939	9.4
119.08571	19.1
121.06523	6.7
129.07042	6.2
131.08531	6.5
143.08611	7.5
147.04395	100.0
154.31146	5.0
157.10197	7.0
159.21193	5.3
175.11172	6.2
179.06990	36.1
188.08247	5.4
195.04060	4.6
203.10677	71.7
233.15695	4.7
235.13210	33.7
249.18562	8.9
259.16824	40.8
291.19516	15.8
291.22891	7.9
295.98505	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1951
Annotation	8-hydroxy-13Z-octadecene-9,11-diynoic acid
Peak:m/z	Relative Intensity
51.09824	1.7
55.01866	1.9
55.05495	8.5
56.96552	4.5
57.03423	3.4
57.07068	3.8
59.04986	3.3
67.05484	8.8
69.03433	3.2
69.07054	3.8
70.06574	2.0
70.36713	5.8
71.04984	2.8
79.05473	13.0
81.07051	12.9
83.04976	3.1
83.08614	3.8
83.41497	1.5
84.08128	3.1
85.06549	3.0
91.05460	11.2
93.07030	14.9
95.04960	7.4
95.08594	14.4
97.06484	4.0
98.98425	2.7
105.07013	18.6
107.04954	8.0
107.08553	9.0
109.06514	11.9
109.10157	4.8
111.08068	24.0
117.06983	5.4
119.08588	16.1
121.06487	6.8
121.10143	7.4
122.07196	2.1
123.08050	38.3
128.06192	2.2
129.07007	5.5
131.08569	9.0
133.06503	4.0
133.10121	9.5
135.08041	10.1
135.11664	4.5
137.09610	4.0
142.07730	2.7
143.08543	6.8
145.10126	16.6
147.08041	6.6
147.11655	6.9
149.09608	6.0
151.07524	100.0
155.10603	2.4
156.09311	2.7
157.10135	9.6
159.08015	3.4
159.11694	5.6
161.09605	7.5
161.13249	3.2
163.11156	2.4
171.11662	5.0
173.09648	2.6
173.13251	4.2
174.10265	2.6
175.11153	6.1
175.14841	2.2
177.12703	2.4
179.10660	6.8
185.13210	6.1
187.11168	3.5
187.14731	2.1
189.12721	25.9
191.10634	2.4
191.14194	5.2
192.11450	4.8
197.11713	12.8
197.13213	2.3
203.14349	7.7
207.11783	3.4
207.13770	67.6
208.14075	1.9
213.08000	1.7
213.16275	2.1
215.14247	2.3
217.12210	3.5
227.17923	2.7
229.23531	4.3
231.09109	2.6
231.17410	2.8
233.15405	13.6
245.18808	1.8
249.14903	3.4
255.17384	3.6
269.10544	17.2
273.18439	11.9
287.11697	5.1
291.12436	1.8
291.19498	51.2
291.27142	12.8
292.12338	3.3
292.19815	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	291.1953
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
53.03931	6.4
55.01870	12.3
55.05278	2.1
55.05509	32.1
57.03416	4.6
60.66994	1.9
65.03930	2.5
67.05196	2.3
67.05499	30.4
69.03403	6.9
69.06122	1.9
69.07072	10.2
71.04983	3.3
71.05402	5.0
79.05491	69.7
81.03415	4.4
81.07052	73.6
81.07542	3.5
83.04959	5.2
83.08603	14.4
85.06514	3.0
91.05476	47.0
93.07043	39.3
93.87646	1.8
95.04969	28.1
95.08610	24.0
97.06509	3.2
97.10174	11.3
98.02380	2.2
98.20827	2.2
103.05440	3.2
105.03374	6.3
105.07008	30.4
107.04951	17.9
107.08588	23.4
109.06480	8.7
109.10113	7.9
111.08004	3.0
111.42662	2.0
115.05424	3.6
117.07015	30.0
119.04926	7.0
119.08582	61.7
121.06502	25.5
121.10117	13.9
123.08080	9.2
125.09602	15.2
128.06226	4.4
129.07018	12.6
130.07793	3.2
131.08591	20.6
133.06483	10.4
133.10143	9.7
135.08025	11.0
135.11697	2.9
137.09647	2.5
143.08551	13.1
145.06514	3.9
145.10094	27.6
147.08052	35.4
147.11716	3.9
149.09596	10.0
153.09091	5.8
156.98221	1.8
157.06491	2.4
157.10091	9.0
159.08022	4.1
159.11649	6.4
161.09602	11.3
163.11118	5.0
165.09117	3.7
170.11040	2.1
171.11670	5.8
173.09625	3.1
173.13200	3.3
175.11224	4.4
185.13228	7.7
187.11087	2.2
189.11206	8.8
195.11646	2.9
203.14272	7.4
213.12662	3.4
223.13263	6.7
227.17892	2.8
231.13695	3.7
232.49860	2.1
237.16335	3.0
245.18906	5.0
249.14877	17.7
255.17349	8.6
273.18484	50.8
273.21481	2.8
291.12933	3.9
291.19516	100.0
292.19778	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	291.1952
Annotation	Ecklonialactone A
Peak:m/z	Relative Intensity
53.03931	1.0
55.01873	2.3
55.05505	8.6
57.03428	0.6
59.04995	0.3
65.03915	0.4
67.05496	5.5
68.61852	0.3
69.03420	1.6
69.07063	3.3
71.04977	0.8
71.66821	0.5
79.05482	7.7
81.03394	1.1
81.07048	6.9
83.04978	1.5
83.08614	3.7
85.06501	0.3
90.12934	0.3
91.05466	7.8
93.07034	6.2
94.04163	0.4
95.04954	3.9
95.08588	3.3
97.06512	0.6
97.10159	3.9
103.05507	0.3
105.03378	0.4
105.07019	8.0
107.04942	3.2
107.08587	3.5
108.05721	0.5
109.06504	1.0
109.10145	1.2
109.37971	0.3
111.08034	0.5
115.05418	0.4
116.06219	0.6
117.07005	3.2
119.04928	2.2
119.08566	6.3
120.05724	0.5
121.06483	2.2
121.10105	1.6
123.08068	0.8
125.09620	2.1
128.06206	0.6
129.06979	1.9
130.07762	0.8
131.08528	3.9
133.06467	3.3
133.10098	1.9
134.07242	1.0
135.08032	2.1
135.11674	0.7
137.09589	0.6
143.08542	2.1
145.06482	0.7
145.10124	3.1
147.08015	3.6
147.11652	0.7
149.09612	1.4
157.10081	1.1
159.08078	0.6
159.11639	1.0
161.09636	1.7
162.10373	1.4
163.11174	1.1
165.09091	0.5
171.11670	0.8
175.11162	1.4
181.10104	0.3
185.13152	0.7
189.11206	0.7
203.14285	0.7
223.13240	1.2
237.16342	0.4
245.18962	0.6
249.14821	2.2
249.18489	0.8
255.17392	0.5
261.14917	0.6
262.15311	0.4
273.18460	4.2
291.19501	100.0
292.19858	6.0
304.90176	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1952
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
53.03935	6.6
55.01871	17.8
55.05506	24.3
57.03431	13.9
57.07052	4.6
60.94387	1.9
63.50191	2.1
65.03927	4.3
67.05499	63.6
69.03414	7.3
69.07076	10.4
70.06569	3.6
71.04986	2.5
71.14859	3.7
79.05020	2.8
79.05486	70.6
81.03403	5.6
81.07050	100.0
83.04973	9.6
83.08597	9.4
85.06535	5.3
91.05473	44.7
93.06490	3.6
93.07035	38.8
95.04961	68.1
95.08602	22.9
97.06523	6.2
97.10159	7.3
98.98458	2.5
99.08047	2.0
105.07017	34.7
107.04958	33.0
107.08579	28.1
109.06511	99.6
109.10137	8.7
111.08070	4.1
111.80542	2.2
115.05461	6.9
116.06232	2.8
117.06993	20.3
119.04948	3.2
119.08584	29.8
121.06490	14.3
121.10110	12.5
123.04388	2.1
123.08037	8.0
125.09622	3.7
128.06197	2.2
129.06984	8.3
131.06926	1.9
131.08548	25.4
133.06483	8.3
133.10110	8.8
135.08046	59.4
135.11676	7.0
136.08347	2.0
137.09650	2.4
143.08569	13.3
145.06393	3.1
145.10092	18.4
147.08020	9.9
147.11644	4.4
149.09610	12.0
149.13315	4.0
151.07452	3.0
157.10104	9.4
159.07959	3.2
159.11681	7.3
161.09616	11.9
161.13261	2.4
163.11179	9.8
165.09099	5.4
171.11720	5.9
173.09608	3.4
175.11192	4.4
175.14774	3.0
177.12785	3.1
179.10704	2.3
185.13229	5.7
187.11234	3.3
193.12248	4.4
203.14262	4.9
217.15851	9.4
227.17712	2.5
231.13689	4.0
245.19019	3.2
249.14804	7.2
249.23201	3.3
255.17429	3.9
264.19620	5.8
273.18491	36.7
291.19501	66.7
291.27017	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1949
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
50.67427	3.2
53.03930	10.2
55.01859	11.0
55.05503	61.3
57.03423	4.5
57.07074	3.5
65.03917	3.8
67.05495	66.3
69.03404	5.9
69.07056	34.4
71.03585	3.7
71.03919	6.5
71.04974	12.9
71.66499	2.8
74.67849	3.4
79.05485	90.3
81.03396	3.4
81.07045	100.0
83.04960	9.4
83.08603	32.3
91.05469	99.8
93.07030	85.7
95.04955	22.1
95.08590	41.0
95.44057	3.3
97.06508	10.7
97.10142	18.2
98.21359	3.7
103.05428	5.1
105.07017	83.4
107.04944	17.2
107.08585	46.4
109.06516	24.3
109.10162	10.0
111.08073	10.9
115.05457	10.2
116.06225	7.0
117.07004	55.7
119.04976	3.8
119.08564	67.2
121.06474	16.7
121.10126	35.0
123.08071	10.9
125.09622	10.8
128.06223	13.1
129.07004	24.2
130.07784	9.2
131.08546	77.2
133.06465	11.6
133.10097	22.5
135.04384	4.5
135.08081	16.2
135.11682	12.9
137.09663	3.7
139.11182	7.6
141.06906	9.8
141.09062	3.3
143.08554	50.9
145.06448	4.3
145.10114	84.3
147.08037	38.3
147.11682	10.6
149.09602	12.2
151.07526	10.9
155.08566	8.1
157.10150	22.2
157.11217	4.1
159.08026	4.6
159.11685	20.6
161.09621	19.1
161.13272	3.9
163.11160	8.7
169.10019	6.1
171.11642	15.9
175.11186	10.6
180.76752	3.3
181.10124	4.5
185.13266	8.1
189.11174	5.3
189.12741	8.1
195.11703	7.4
199.11151	5.1
209.13095	4.0
213.12860	5.3
217.12180	3.5
217.15695	3.6
227.17889	6.8
233.15350	9.5
237.16377	10.0
245.18996	10.3
249.14731	4.1
255.17413	5.3
263.19925	6.5
273.18448	72.2
291.19522	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	291.195
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
52.73264	1.3
53.03924	5.7
55.01868	8.7
55.05506	24.0
57.03412	4.6
65.03922	3.0
67.05495	29.9
69.03417	2.7
69.07059	12.0
70.69374	3.7
71.04961	2.3
74.56013	1.5
79.05032	2.2
79.05481	43.0
81.03394	5.9
81.07047	61.6
83.04961	4.8
83.08601	10.8
85.06540	1.4
86.42026	1.4
91.05473	26.9
93.07031	23.8
95.04404	2.1
95.04961	24.7
95.08582	16.4
97.06485	5.8
97.10150	10.5
103.05482	1.8
105.07012	23.6
107.04936	11.4
107.08579	16.2
109.06494	11.7
109.10139	9.3
111.04436	1.6
111.08044	4.6
115.05417	2.2
116.06233	1.5
117.06996	15.8
119.04955	1.5
119.07731	2.3
119.08563	33.8
121.06501	14.3
121.10149	8.3
123.08061	18.9
123.08900	2.4
125.09602	10.1
126.15036	1.6
128.06169	2.3
129.06973	7.3
131.08585	14.0
132.05692	1.6
133.06451	6.0
133.10112	6.9
134.07098	1.4
135.08066	8.9
135.11652	5.2
137.09561	4.3
142.07719	1.8
143.08528	7.2
145.10088	16.5
147.08031	22.2
147.11598	3.4
149.09583	8.3
153.09045	5.0
157.10130	7.1
157.62553	1.3
159.08014	4.3
159.11649	6.6
161.09578	7.7
163.11139	16.0
165.09050	5.3
169.10077	2.4
171.11694	2.2
173.13210	1.9
175.11166	3.6
185.13179	3.2
189.11133	5.6
189.12646	1.6
193.12276	4.4
195.11578	1.6
199.14867	1.6
213.12877	1.6
213.85861	1.6
223.13303	6.3
227.17880	3.0
237.16284	1.9
245.19031	1.9
249.14885	8.3
255.17441	5.3
273.18448	33.5
291.19495	100.0
291.26953	2.8
292.19800	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	291.1949
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
53.03922	2.7
55.01867	21.7
55.05285	0.8
55.05508	11.7
55.44194	0.8
56.05021	1.4
57.03428	16.0
57.07056	1.1
62.76767	0.9
65.03918	2.7
67.05150	1.3
67.05497	24.4
69.03399	3.0
69.07057	5.6
70.56444	3.2
71.04981	1.4
76.80782	0.9
79.05025	1.9
79.05486	39.4
81.03407	1.2
81.06604	1.6
81.07043	17.7
83.04949	1.4
83.08587	3.1
83.55054	0.9
85.06528	4.0
88.07609	3.9
89.07939	1.4
91.04927	1.7
91.05472	32.8
93.07037	20.5
94.04188	1.0
95.04401	1.5
95.04962	22.8
95.08596	9.1
97.06499	2.7
97.10108	1.2
105.07021	17.3
107.04948	13.2
107.08578	27.7
109.06506	70.5
109.10167	2.1
111.08043	1.3
115.05438	3.8
116.06211	2.0
117.07005	13.4
119.06006	1.4
119.08582	6.2
121.06541	4.1
121.10142	4.0
123.08051	3.5
128.06186	1.4
129.06995	7.2
130.07785	1.0
131.07655	1.5
131.08551	15.6
133.06461	2.5
133.10110	4.6
135.08041	100.0
135.11668	3.6
136.08337	2.2
137.09572	1.5
141.07014	1.3
143.08560	7.5
145.10110	8.9
147.08025	5.1
147.11661	1.9
149.09618	7.8
149.13243	1.3
157.10101	5.3
159.08051	1.1
159.11707	4.9
161.09619	7.9
161.13254	1.1
163.11157	2.3
166.31425	0.8
169.10147	1.4
171.11658	2.6
173.13272	2.7
175.11154	3.4
177.12715	2.2
183.11609	2.0
185.09737	1.0
185.13255	2.0
187.11179	1.3
187.14819	1.2
189.16310	1.2
195.11726	1.4
199.11105	1.6
199.14841	3.9
201.12787	1.9
217.15871	19.3
218.14001	0.9
218.15985	1.0
219.13887	1.4
227.17950	1.7
237.16382	1.5
243.25139	3.6
245.18871	2.0
255.17381	4.1
273.18448	20.3
274.18817	1.0
279.64609	0.9
289.36237	0.8
291.19504	38.8
291.27109	12.0
292.19846	1.9
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	Tuberatolide A
Peak:m/z	Relative Intensity
50.71019	1.3
53.03938	6.6
55.01865	10.9
55.05507	32.8
56.96551	2.7
57.03421	5.5
57.07050	2.2
61.01157	1.2
64.62080	1.3
65.03920	2.5
65.66023	1.2
67.05148	1.7
67.05500	31.7
69.03405	5.9
69.07053	14.3
70.06563	2.7
71.04968	5.2
72.08125	2.8
79.05487	62.8
81.03408	3.9
81.07050	61.7
82.07392	1.6
82.46170	1.3
83.04950	5.2
83.08608	16.9
85.02899	1.8
85.06519	3.4
88.07581	1.6
91.05471	41.5
93.07037	44.9
95.04961	23.4
95.08597	23.3
97.06513	3.6
97.07648	1.4
97.10153	17.7
98.21514	2.3
98.97596	3.3
103.05421	3.1
105.03371	3.2
105.04501	1.6
105.07020	37.9
107.04952	15.5
107.08592	27.6
109.06509	11.6
109.10132	8.8
111.08061	4.9
114.10271	10.3
115.05407	3.6
116.06278	2.5
116.98661	1.7
117.07008	29.1
119.04926	2.4
119.08572	60.4
121.06503	23.5
121.10131	18.2
123.08063	8.3
125.09631	15.8
128.06218	5.0
128.07068	1.5
129.06981	15.6
130.07791	3.7
131.08551	23.2
133.06479	11.8
133.10109	12.2
135.08049	15.5
135.11646	3.9
137.09564	3.4
141.06972	2.5
142.07788	2.3
143.08540	15.7
145.06470	3.0
145.10104	29.2
147.08044	41.7
147.11647	5.2
149.09612	14.6
149.13208	1.6
150.11108	1.5
151.07544	1.6
157.06537	1.8
157.10110	13.5
158.99550	1.7
159.08037	4.6
159.11679	11.5
161.09608	13.6
161.13158	2.1
163.11113	6.2
165.07057	1.4
167.08470	1.7
169.10120	2.3
171.10385	1.9
171.11687	7.7
172.38396	1.3
173.09659	2.3
173.13231	2.3
175.11151	4.5
175.14955	1.4
177.00659	3.5
177.12756	1.6
185.09636	1.9
185.13246	6.6
187.11034	1.9
189.09349	2.2
189.11205	10.4
189.12682	1.7
192.55333	1.4
195.11665	2.6
199.11140	2.7
203.14304	3.7
211.14705	1.4
213.12640	2.6
217.15894	1.9
223.13275	5.5
227.17889	4.0
229.65175	1.7
231.13815	2.7
237.16414	2.5
245.19058	3.4
249.14819	12.0
255.17482	9.1
258.66122	1.4
273.18472	54.1
273.21503	2.7
274.18802	2.2
289.17917	4.4
291.19510	100.0
291.27100	5.1
292.19907	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1952
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
53.03931	7.1
55.01625	4.3
55.01864	19.2
55.05503	31.7
58.10849	4.3
67.05503	30.3
69.03409	8.4
69.07054	12.0
69.65651	4.9
69.72449	27.7
73.59100	4.3
75.88747	4.3
79.05486	66.9
81.03416	6.3
81.07040	75.0
83.05001	4.6
83.08607	17.0
91.05480	45.1
93.07035	42.1
95.04967	32.5
95.08610	21.5
97.10164	14.6
105.03374	4.9
105.07029	36.2
107.04958	24.2
107.08587	25.8
109.06524	9.8
109.08639	4.6
109.10162	9.4
117.07014	36.8
119.04884	4.9
119.08569	62.0
121.06499	25.2
121.10138	13.1
125.09624	14.5
128.06184	6.7
129.06975	12.3
131.08565	26.9
133.06450	8.6
133.10129	10.3
135.08069	20.1
137.09668	6.0
143.08549	8.6
145.10085	33.3
147.08069	34.3
149.09589	11.1
157.10138	14.1
159.08015	4.8
159.11650	14.2
161.09634	10.3
163.11166	5.5
185.13358	8.4
189.11255	8.0
203.14267	9.1
213.12833	4.7
223.13324	5.6
227.17982	7.5
232.32184	4.9
245.18993	6.8
249.14879	13.3
255.17601	7.5
266.62778	4.7
273.18448	50.3
291.19534	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.195
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
53.03930	3.7
55.01854	4.6
55.05503	17.5
56.96549	3.1
57.03421	5.0
57.07052	2.7
59.04980	3.4
59.67641	1.2
67.05495	13.8
69.03400	3.4
69.07059	8.4
69.94170	7.2
71.04980	6.3
79.05485	25.6
81.03398	2.9
81.06607	2.1
81.07049	28.9
82.54416	1.2
83.04953	5.4
83.08603	12.3
83.68787	1.3
85.02882	2.3
85.06532	3.6
91.05468	19.6
93.06509	1.9
93.07036	20.9
95.04969	12.3
95.08601	20.0
97.06503	4.9
97.10159	3.5
98.28755	1.6
99.08086	1.6
101.30801	1.2
105.07018	22.6
107.04926	15.4
107.08585	16.0
109.06497	19.9
109.10127	4.9
111.04456	1.8
111.08061	38.8
114.12779	2.1
115.05382	1.7
117.07006	9.6
119.04904	2.0
119.08571	20.0
121.06496	8.1
121.10123	10.1
122.51292	1.3
123.08060	31.7
125.09593	5.5
128.06197	2.7
129.06970	6.7
130.07777	2.5
131.08556	17.2
133.06450	7.1
133.10114	12.0
135.08041	16.1
135.11653	3.1
137.09576	2.5
143.08560	8.7
145.10088	11.3
147.08018	12.1
147.11670	9.6
149.09619	12.3
149.13168	1.5
151.07526	85.3
156.09348	1.9
157.10115	6.4
159.08083	2.8
159.11687	7.3
161.09549	4.2
161.13303	2.0
163.11153	5.9
169.10004	2.0
169.12317	1.5
171.11642	5.8
173.09538	2.1
173.13216	5.7
174.10320	2.0
175.11154	6.4
175.14804	1.7
177.09038	2.8
179.10660	5.5
180.48828	1.3
181.12177	2.0
185.09521	1.4
185.13188	3.2
187.10977	1.5
189.11211	2.5
189.12733	24.8
191.10692	1.7
191.14291	12.5
192.11443	3.3
197.11685	9.2
197.13187	2.4
199.82414	1.4
203.14217	2.8
207.13791	65.7
213.16386	1.6
215.14359	2.9
217.12224	3.4
217.15840	3.5
231.13786	1.7
231.17674	2.3
233.15346	27.3
235.13243	1.5
245.18962	3.2
249.14844	4.5
249.18250	2.0
255.17389	3.8
269.10577	5.8
273.18466	23.1
287.11642	4.3
291.19485	100.0
292.19711	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	291.1734
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01850	0.4
55.05503	0.6
57.07070	2.0
58.06591	0.5
58.99574	0.5
60.04517	0.4
61.01141	16.2
67.05497	0.6
68.05016	0.4
69.03413	0.4
69.07054	0.7
70.06586	1.3
71.08607	0.5
71.72089	0.5
72.08140	1.4
79.05486	0.7
81.03402	0.6
81.07046	1.0
83.05014	0.4
84.04501	1.4
84.08134	87.2
85.02921	0.5
85.06526	1.4
85.08466	0.7
86.06020	0.4
86.09702	1.6
86.10147	0.3
86.99043	0.5
87.04485	0.4
91.05457	1.0
93.07034	0.9
95.04981	0.3
95.08604	0.9
99.08077	0.5
105.07004	2.0
107.08577	1.0
109.10072	0.4
110.07169	0.3
111.04429	0.4
116.01666	1.2
119.08585	0.9
120.08051	0.5
121.06494	1.0
124.07524	0.3
130.04980	0.4
131.08557	0.9
132.08415	100.0
133.08757	0.7
133.10086	0.6
139.03896	0.5
143.08522	1.4
144.01094	0.4
145.10110	1.1
153.84756	0.3
157.06438	0.4
157.07590	1.2
157.10109	0.9
159.11679	0.7
162.02119	0.5
169.13197	0.4
174.32997	0.4
175.07567	0.4
175.14806	0.4
177.28725	0.3
184.07565	0.5
184.09895	0.5
185.13196	1.1
186.08992	0.4
198.11205	1.1
199.12338	1.9
200.10762	0.4
203.08272	0.6
203.14337	1.8
214.16020	0.3
215.11928	0.5
215.13910	1.3
217.13313	0.4
227.11810	0.5
228.10164	0.7
231.13687	0.5
243.11296	0.7
243.17081	0.4
245.05933	0.7
245.12903	2.1
246.11545	0.9
247.20044	0.5
249.14810	0.7
255.11040	0.4
260.15387	0.3
273.12317	10.8
291.06342	0.7
291.10379	0.3
291.13315	8.7
291.17261	15.5
292.17642	0.4
301.80844	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1587
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16325	0.5
53.03947	0.7
53.43872	0.6
54.67186	0.5
54.72606	0.5
55.01855	0.7
67.05484	1.1
69.07061	1.3
69.99017	2.7
69.99423	1.0
71.04980	0.5
79.05472	1.3
79.92625	0.5
81.03399	0.8
81.07038	2.2
91.05466	1.2
93.07015	0.8
95.04950	1.1
98.20688	0.7
105.07020	0.9
107.04977	0.6
107.08577	1.0
109.02912	1.3
109.06492	3.5
117.06986	0.7
117.48052	0.5
119.04865	0.7
121.06525	0.6
127.03915	1.7
127.11224	0.7
135.08011	0.7
137.05975	5.4
145.10123	0.7
153.05539	1.4
157.10030	0.7
159.11591	0.6
164.00417	0.5
165.05464	100.0
166.05748	1.0
179.00546	0.5
205.08577	1.0
221.11710	75.7
222.12039	1.2
223.09695	1.1
249.14760	0.6
291.15927	1.9
291.19534	4.1
291.22934	1.1
310.15796	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1587
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.4
55.72955	0.4
63.18326	0.3
65.03925	0.3
69.07050	0.8
70.14697	0.7
70.15047	1.6
71.04987	0.5
73.77752	0.4
79.05469	0.7
81.03411	0.9
81.07033	1.4
83.01335	0.3
83.68171	0.4
91.05457	1.1
95.04947	0.4
95.08632	0.4
105.06979	0.6
109.02855	2.0
109.06509	3.8
109.10143	1.0
119.04909	0.5
127.03929	1.8
127.11167	0.8
137.05969	5.8
141.41635	0.4
147.04445	0.4
153.05438	1.9
165.05466	100.0
166.05804	1.4
177.09142	0.6
203.14372	0.5
205.08617	1.3
208.10164	0.3
221.11717	42.3
222.11993	0.8
223.09654	0.8
232.04639	0.4
249.14706	0.4
271.86014	0.4
273.18521	0.5
278.08585	0.4
291.15857	1.2
291.19513	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1369
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	3.0
55.01865	2.0
55.05236	1.6
55.05506	30.2
56.05027	1.7
57.03402	0.9
57.06801	1.2
57.07069	19.6
58.99591	0.9
60.50669	1.1
65.03922	1.0
67.05502	5.0
69.07050	2.9
69.48238	9.2
70.06575	1.3
71.04990	1.9
72.08166	1.0
79.05487	5.0
81.07043	8.3
84.04489	2.4
84.08124	1.4
85.01119	6.1
85.06537	1.8
87.02661	1.8
87.08099	100.0
91.05469	6.3
93.07018	7.5
93.43977	0.9
95.04961	2.2
95.08596	6.0
98.09679	3.0
102.03768	7.7
102.05526	10.1
105.07021	4.5
107.04981	1.9
107.08567	5.1
109.06512	1.3
109.10168	3.1
112.03945	2.6
113.04208	2.8
116.01659	4.9
117.06990	3.4
119.08559	4.3
121.02844	1.3
121.06444	0.9
121.10119	3.0
123.11632	1.1
129.06995	3.4
130.04977	1.8
130.06868	3.3
130.08606	5.9
131.08572	5.7
133.10121	2.8
135.08005	2.7
135.11638	1.9
137.09615	1.3
143.02649	1.0
143.04816	1.0
143.08490	1.6
143.61736	1.0
145.10117	4.1
147.11676	2.1
149.02330	20.4
149.05991	1.5
149.09595	1.5
149.13237	1.3
149.86574	1.0
156.08397	3.9
156.10184	3.0
156.33481	1.0
157.10150	1.9
159.11670	3.6
161.05971	3.8
161.13261	1.7
162.02220	1.7
163.11113	1.3
171.11649	1.6
175.07530	11.2
175.14720	1.3
185.05896	1.1
188.03731	3.9
189.03255	1.3
189.12750	1.2
203.06995	12.1
203.08716	1.5
203.14185	1.4
205.06430	13.8
216.06897	8.5
219.06360	5.0
231.17604	1.1
248.08278	1.1
259.11096	50.2
264.45520	1.1
267.24908	1.1
273.18228	2.4
276.07755	1.5
280.83228	1.0
291.10083	3.4
291.13577	8.5
291.16580	1.8
291.19556	7.0
291.22961	2.3
292.19211	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1335
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	0.6
55.05509	1.7
56.96582	0.5
57.03440	0.9
57.07072	1.2
58.06595	0.6
58.99581	0.8
60.04529	0.5
61.01143	18.6
65.03944	1.9
65.46591	0.4
67.05504	1.9
69.03433	1.4
69.07067	1.6
69.78005	1.7
69.78436	1.5
70.06576	2.2
71.04987	0.7
72.08147	1.9
76.03977	0.6
79.05483	1.6
80.05006	1.3
81.03434	0.8
81.07056	1.7
83.04977	2.2
84.04498	2.0
84.08134	94.1
85.02910	1.6
85.06548	1.2
85.08479	0.9
86.06059	0.5
86.09698	2.3
86.99081	0.6
91.05486	1.4
93.03361	1.1
93.07045	1.4
94.06563	1.4
95.04962	2.0
95.08609	1.3
96.04471	0.7
96.08108	0.9
97.02897	0.6
99.08067	0.7
105.07026	4.1
106.06549	0.6
107.04939	1.2
107.08597	1.3
108.04472	1.3
109.02853	1.1
110.07153	0.5
111.04392	0.9
116.01657	1.4
117.07027	0.9
119.08594	1.7
120.08112	1.2
121.06493	1.3
122.06031	1.9
123.04449	1.0
123.06796	0.6
124.07594	4.5
127.03934	0.5
128.06213	0.7
129.06949	0.8
129.10242	0.5
130.04988	0.9
130.06552	0.6
131.08531	1.5
132.08415	100.0
133.06506	0.6
133.08684	0.9
133.10156	1.1
136.03944	2.6
136.07590	0.5
137.02348	2.6
138.05501	1.1
138.09145	5.5
139.03886	1.8
140.07056	1.5
141.13863	0.5
142.03229	1.3
142.07751	0.6
143.08566	1.6
144.08066	1.1
145.10048	1.2
147.04372	0.6
147.08069	0.8
148.07666	0.6
150.05518	1.0
152.07124	1.0
154.04993	6.0
156.07996	0.7
157.07622	2.3
157.08803	0.9
157.10130	1.1
158.06029	0.6
159.11696	0.7
160.07550	0.9
160.09940	0.5
164.07039	0.6
167.07208	0.7
172.07628	0.8
172.11237	1.1
174.09154	1.0
175.08690	1.0
175.12311	0.7
175.14713	0.5
176.07191	0.5
184.07523	0.9
184.09993	0.7
185.08430	1.3
185.13255	1.7
186.09132	1.2
188.05557	0.6
188.10715	1.8
189.10286	1.1
190.08702	0.7
190.12262	0.8
196.06029	1.5
198.07793	0.7
198.11246	1.4
199.08687	2.0
199.12320	3.8
200.09343	1.4
200.10936	2.8
201.10283	0.8
202.10854	0.8
203.08186	2.3
203.11789	1.5
203.14270	1.6
210.09064	0.5
212.09430	2.3
213.08049	1.0
213.10245	2.6
213.12398	0.5
215.08110	1.4
215.11797	1.8
215.13838	1.0
216.10219	1.9
216.12427	0.9
217.09752	1.4
217.13342	2.7
218.11798	1.3
227.08203	3.2
227.11731	3.9
228.10245	10.5
229.11020	0.9
230.08214	0.5
230.10300	1.0
231.11223	2.1
231.13443	0.7
232.12047	1.4
233.12697	0.6
240.08873	1.1
241.09712	5.4
242.10431	5.6
243.11282	9.7
244.12001	3.6
245.05960	1.3
245.09291	0.8
245.10199	0.8
245.12822	10.2
246.11172	4.8
248.12904	0.5
255.11212	3.6
256.09637	1.5
260.11551	1.3
261.12259	1.2
263.13983	1.0
273.12326	24.5
274.10565	4.3
291.06723	1.0
291.13361	44.2
291.17279	16.6
292.13907	1.0
293.09048	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1334
Annotation	Limazepine B2
Peak:m/z	Relative Intensity
51.52308	0.9
53.03930	1.9
55.01863	1.9
55.05496	3.6
56.05002	1.8
58.99577	2.4
60.04501	1.4
61.01144	10.9
65.03923	4.4
67.05499	4.2
69.03410	1.5
69.07056	2.2
70.06580	4.3
71.08618	2.3
71.73560	1.0
71.73987	1.4
72.08142	4.0
79.05490	4.4
80.04996	2.8
81.03414	1.6
81.07047	3.0
82.06531	1.5
83.04971	1.7
84.04484	4.2
84.08134	66.3
85.02887	1.3
86.09708	1.8
86.99051	1.3
88.02227	1.0
90.66699	1.0
91.05451	3.0
93.03379	2.7
93.07033	4.2
94.06567	4.8
95.04960	3.7
95.08598	2.7
96.04478	1.7
96.08138	2.8
98.06030	2.1
99.08073	2.0
105.04498	1.0
105.07004	3.8
106.06510	1.3
107.04981	1.6
107.08638	1.7
108.04477	2.7
109.02865	2.0
110.07122	1.3
111.04417	1.3
112.03941	1.6
115.05381	1.2
116.01681	4.9
117.07022	1.2
119.08563	3.6
120.08138	1.2
121.06470	2.9
122.06003	5.1
123.04446	1.8
123.06824	2.4
124.07577	10.7
128.06157	1.3
129.07024	1.5
130.05020	2.1
130.06558	1.6
131.08548	2.2
132.08414	68.9
133.10138	1.8
134.05992	3.0
136.03922	7.5
136.07492	2.3
137.02298	7.6
138.09135	17.7
139.03891	1.8
140.07043	3.7
142.03214	2.9
142.07767	1.5
143.07373	1.1
143.08511	2.6
144.01105	1.3
145.10088	2.5
146.05974	1.9
147.08051	1.1
150.05478	1.9
152.07021	2.6
154.04977	18.5
154.06140	2.0
155.08534	1.2
156.04800	1.2
156.08102	1.5
157.07564	1.3
157.08881	1.6
157.10120	1.1
159.09189	2.2
160.07570	3.0
160.11172	2.2
161.07115	1.7
162.02238	1.3
162.09056	1.4
164.07045	2.4
166.07654	1.2
167.07286	1.5
168.06546	2.9
171.06712	1.2
172.07547	2.5
172.11185	2.6
174.09158	2.0
174.11581	1.3
175.08612	1.5
175.12321	3.9
178.05003	2.1
182.09677	1.2
184.07565	1.7
184.09904	2.0
185.08385	4.8
185.13278	2.6
186.09248	1.6
187.08659	1.6
188.09302	1.9
188.10765	5.0
189.10117	2.5
190.07336	1.5
190.12175	2.3
196.06033	3.6
196.19948	1.1
198.07889	1.5
199.08705	5.0
199.12273	2.9
200.07243	1.6
200.09264	3.5
200.10933	8.2
201.10284	2.2
202.10851	1.9
203.08176	3.9
203.11769	5.9
203.14227	1.9
210.09177	1.5
211.08693	2.1
212.09309	5.5
213.08142	1.7
213.10228	6.4
214.08800	2.0
214.10883	1.9
215.08109	2.6
215.11761	5.4
215.13823	1.1
216.10446	1.9
216.12466	1.8
217.09772	2.9
217.13358	6.3
218.11803	3.3
221.09229	1.3
227.08113	10.8
227.11682	8.1
228.06827	1.6
228.10283	24.9
229.09468	1.8
229.11198	2.3
230.10344	2.1
231.11244	3.3
231.13748	2.1
232.12036	2.8
232.20610	3.0
233.12935	2.7
240.08931	1.8
241.09734	13.0
242.10510	15.2
243.11269	28.5
244.12032	8.9
245.05919	3.5
245.09242	1.3
245.10265	1.6
245.12849	25.3
246.11197	10.3
247.10515	1.4
248.13065	1.2
255.11374	7.5
256.09735	2.8
260.11575	3.8
261.12350	4.5
263.13779	2.9
273.12329	36.2
274.10599	12.6
291.06506	3.5
291.13354	100.0
291.17099	9.4
292.13748	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1224
Annotation	trans-Resorcylide
Peak:m/z	Relative Intensity
53.09573	0.7
55.01857	1.3
55.05510	4.0
56.37388	0.8
56.96558	1.1
57.03418	2.0
67.05492	2.7
69.03424	1.3
69.07062	1.3
70.06573	2.2
70.32381	2.7
72.04511	0.8
73.02897	1.1
79.05481	3.0
81.03393	1.2
81.07058	4.1
83.04990	0.9
83.08617	1.5
84.04478	0.8
84.08143	1.5
91.05452	7.1
93.07027	4.7
95.04963	0.8
95.08595	2.1
100.07580	0.9
100.11237	4.8
103.05451	2.0
105.07024	6.7
107.04961	4.0
107.08591	2.8
109.06515	2.5
109.10117	1.4
110.07198	0.8
115.05456	4.7
116.06219	1.6
117.06991	4.2
119.08578	3.3
121.06520	1.3
121.10121	1.3
123.86694	0.8
128.06194	7.9
128.10741	1.8
129.06993	15.8
130.07840	0.8
131.04924	2.9
131.08548	18.8
133.06494	2.8
133.10127	2.8
135.08043	2.3
137.05952	1.6
137.09621	0.9
141.06973	12.0
141.11395	0.8
142.07756	4.0
143.04941	1.0
143.08545	4.8
144.05699	6.6
145.06490	8.8
145.10107	2.9
146.07262	1.8
147.04454	1.0
147.08058	2.3
147.11714	1.0
149.09596	1.1
152.06201	1.5
153.06961	3.3
154.07799	0.8
155.08553	2.4
156.05742	1.3
156.10216	1.5
157.06485	11.4
157.10158	2.4
158.07259	8.7
159.08044	33.4
159.11694	1.3
160.05177	1.3
161.05981	2.6
161.09599	7.0
165.07021	1.8
168.05641	1.2
169.06401	5.4
169.07657	1.7
170.07257	4.0
171.04457	1.1
171.08051	11.0
172.08818	9.9
173.05968	6.2
173.09628	5.2
174.06743	11.3
174.10414	1.8
175.07518	4.7
175.14836	0.8
181.06512	1.5
182.07318	4.0
182.15388	2.2
183.08044	2.0
184.08871	2.4
185.05951	2.5
185.09607	5.6
185.13271	2.8
186.06758	6.3
187.07520	8.4
188.08316	8.3
189.07410	0.6
189.09082	16.1
191.10609	1.3
197.09619	2.0
198.06764	7.2
199.07491	4.2
199.18045	1.7
200.08350	2.6
201.09064	9.7
202.07889	1.2
202.09853	1.3
203.14345	1.8
204.66466	1.1
210.06784	1.0
210.14857	1.0
211.07591	0.8
212.08298	1.8
213.09077	14.4
213.12714	0.8
215.10661	4.5
217.08618	1.7
219.10269	0.8
225.09113	7.8
227.10654	0.8
227.17815	1.2
228.07860	1.0
231.08066	1.5
231.10193	0.9
231.13832	1.2
243.10091	4.1
248.08339	1.0
249.14816	1.0
259.07642	1.3
261.11194	7.2
273.11151	5.2
273.18591	2.8
276.07889	1.1
289.95218	0.8
291.12292	100.0
291.19107	6.2
292.12619	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1224
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58211	0.6
53.03923	1.1
55.01856	1.4
58.03236	0.6
67.01846	1.9
67.05486	1.9
68.99780	1.1
69.03410	2.1
69.07057	0.6
69.45227	0.5
69.58352	5.3
70.06577	1.8
71.04988	1.1
72.08170	0.9
79.05494	5.9
81.03378	0.9
81.07047	2.3
84.04482	2.6
84.08151	0.8
85.04832	1.0
85.06487	0.7
87.04491	0.6
91.05486	3.2
93.07013	1.7
95.04945	2.7
95.08614	1.1
99.04443	1.1
100.49410	0.6
102.90835	0.6
103.05444	3.0
105.07024	29.7
107.04945	75.4
107.08577	1.8
109.02892	1.3
109.06468	0.6
109.10127	0.6
111.79927	0.6
113.05983	2.7
117.06989	0.6
119.08581	2.0
121.02880	1.1
121.06491	1.8
121.10181	1.2
123.04405	0.7
123.08065	0.7
125.02345	10.4
125.06007	0.8
127.03899	1.7
129.05486	0.7
130.04950	0.7
131.04900	0.7
131.08577	1.2
133.06480	100.0
134.06866	0.7
137.05952	0.9
141.05460	12.4
143.08586	1.2
145.06485	0.8
145.10133	1.5
147.08040	7.9
157.06496	2.1
157.10103	1.0
166.06232	0.9
167.07037	37.7
170.12056	0.7
171.08066	1.2
176.14415	0.7
179.07033	1.2
181.06425	0.8
185.13268	1.4
197.09561	0.9
203.14310	0.9
213.09085	1.2
249.14879	0.9
259.11893	0.8
273.11185	21.6
278.11356	0.9
289.50787	0.6
291.12119	8.4
291.19507	1.1
292.18939	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1223
Annotation	10,2'-dihydroxy-4'-methoxy-isoflav-8-ene-7-one
Peak:m/z	Relative Intensity
53.03934	0.7
55.01857	1.2
61.69382	0.7
66.86634	0.7
67.01842	1.8
67.25210	0.7
69.03423	2.2
70.68728	1.8
78.58638	0.7
79.05498	3.7
88.26421	0.6
91.05457	2.0
95.04935	1.6
99.04444	1.5
103.05469	2.3
105.07014	28.5
107.04940	79.7
109.02861	1.2
109.94902	0.7
113.05982	1.7
114.89242	1.0
115.05531	1.0
119.08586	0.8
121.06499	1.0
125.02328	9.6
126.26256	0.7
127.03895	1.2
128.46036	0.7
130.06517	1.8
132.00053	0.7
132.08047	0.8
133.06473	100.0
134.06821	1.4
137.05965	1.3
139.65408	0.7
141.05444	12.2
144.08055	4.0
147.08041	8.3
157.06458	2.0
159.09151	1.7
165.68665	0.9
167.07025	39.6
171.08046	1.3
179.06981	1.6
195.08011	0.9
199.07498	0.8
213.09059	1.3
245.09283	1.0
259.12051	1.1
273.11191	23.1
291.11862	7.1
291.14716	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1073
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.1
55.05511	0.9
56.05030	0.8
56.96564	1.2
57.07071	100.0
60.04500	0.9
60.34640	0.7
67.05505	0.7
69.03437	2.3
69.07059	0.9
69.44037	0.6
70.06590	9.2
71.05013	1.0
71.75346	0.7
72.08161	2.4
73.02917	0.8
74.06111	0.7
75.84702	0.6
79.05479	1.1
81.03410	0.9
81.07050	1.0
83.01332	3.1
84.04505	1.9
84.08137	5.4
85.02914	1.7
85.06540	9.8
86.09708	2.9
87.04472	2.3
91.05494	2.0
93.07035	1.2
95.08611	0.9
99.04477	1.9
103.05464	1.2
103.07617	1.7
105.07048	1.9
107.08585	1.1
110.07181	2.7
111.00832	2.0
113.02390	2.0
115.03928	3.3
115.05486	0.8
115.46557	0.7
116.07126	1.0
117.07026	0.8
119.08620	0.9
120.08115	2.2
121.06565	0.6
129.06987	0.7
129.09393	0.6
129.10262	2.6
130.06570	1.5
131.05038	0.6
131.08609	0.6
143.03447	2.7
143.08565	0.9
145.10175	0.9
156.07655	0.8
157.10150	0.9
161.01262	0.8
161.06039	0.7
175.14885	1.4
185.13336	0.9
203.08502	1.5
203.14264	1.3
231.08147	0.7
231.13748	1.0
245.10063	1.0
248.08366	1.1
249.13457	0.9
262.09851	0.6
291.10275	2.4
291.13205	1.4
291.16370	0.8
291.19678	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1072
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66088	0.7
55.01851	1.8
56.05020	0.7
57.07069	100.0
69.03423	1.3
69.68836	5.2
69.70568	0.7
70.06586	5.0
71.04970	1.4
72.08134	1.9
79.05470	0.6
81.07021	1.1
83.01320	2.8
84.02098	0.7
84.08121	2.7
85.02911	1.0
85.06026	0.9
85.06534	17.1
86.09688	2.5
87.04450	2.6
90.72656	0.8
91.05506	1.0
92.53082	0.7
93.07047	1.2
95.35168	0.7
98.21475	1.2
99.04414	1.5
103.07562	1.0
105.07013	1.0
110.07154	2.2
111.00793	1.5
113.02327	2.8
115.03911	1.8
116.06996	0.9
116.88792	0.8
119.08591	1.0
120.08056	1.5
123.03589	0.7
123.04400	0.7
136.07581	0.9
141.89426	0.6
143.03374	2.1
147.04382	1.6
172.49278	0.8
203.14297	1.1
231.13602	0.7
245.10274	0.9
249.13387	1.0
250.34193	0.7
291.13132	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1012
Annotation	Aurin
Peak:m/z	Relative Intensity
50.85590	0.3
53.03935	0.3
55.05502	7.2
56.96564	0.3
57.07050	1.0
58.06595	0.3
67.05479	0.6
69.07045	0.6
69.15987	0.2
70.06571	1.2
71.75742	0.4
71.76144	0.6
72.08152	11.1
79.05495	0.4
81.07034	0.9
82.06134	0.3
82.06573	4.2
83.04980	1.7
83.08614	3.5
84.08115	0.7
85.06512	0.6
85.33739	0.3
91.05464	1.0
91.58090	1.2
93.04023	0.3
93.07018	0.7
95.08571	0.6
98.09692	0.8
98.97552	0.4
100.07599	2.0
100.09408	0.5
100.11245	11.0
101.05978	0.5
102.20715	0.3
105.07006	1.0
107.08601	0.6
109.10184	0.3
110.06025	3.5
111.04428	2.4
112.04599	0.3
112.07574	0.8
115.05425	0.7
119.08558	0.9
121.06481	0.4
121.10204	0.3
126.09072	0.9
126.97414	0.3
128.04958	0.5
128.06183	0.3
128.07050	3.3
129.05505	0.5
129.06972	0.3
131.08563	0.5
132.04402	0.5
133.06413	0.4
133.10121	0.4
139.05505	0.4
139.08604	0.4
140.06993	0.5
141.06940	0.4
141.11472	6.3
141.61623	0.8
143.08501	0.5
143.11758	0.3
144.05640	0.4
144.22450	0.3
145.10114	0.5
146.05997	20.9
147.11626	0.4
154.12241	1.0
155.11217	2.6
155.61380	0.3
157.10071	0.4
159.11743	0.5
161.09541	0.3
165.07027	1.0
169.06488	0.4
169.10956	0.9
174.05501	2.2
175.14754	0.4
178.07701	0.5
179.08400	0.4
182.13774	0.5
182.15393	9.0
183.15643	0.4
185.13200	0.8
189.06985	1.2
190.07790	0.6
191.08534	4.0
192.09329	2.2
194.07361	0.3
199.12434	0.3
199.18037	4.2
200.18417	0.4
201.06976	0.4
202.07755	21.3
203.08543	24.2
203.14235	0.7
204.09183	1.2
204.64667	0.6
204.66466	6.3
205.06451	3.0
205.10039	0.5
205.16577	0.9
206.07195	0.5
209.16502	2.3
210.14888	6.9
211.15138	0.4
213.06953	1.2
213.17757	0.3
215.08569	1.6
217.10135	0.5
218.07248	0.8
218.66200	4.8
219.08031	10.3
219.16354	0.8
220.08810	8.5
221.05946	0.5
221.09474	0.6
222.06633	0.5
225.15944	0.9
227.11725	0.4
227.17549	1.2
228.15973	0.5
229.06441	0.6
230.07211	3.7
231.08028	37.9
232.08803	7.6
233.06009	1.4
233.09508	0.9
234.06699	0.8
235.07501	0.7
235.11119	1.5
241.06450	0.7
242.07332	0.5
243.08052	0.8
245.06017	0.5
245.09679	1.2
245.12823	8.0
245.94919	0.3
247.07510	7.6
248.08311	21.9
249.08925	1.6
249.14836	0.5
258.06750	3.4
259.07529	30.7
260.08301	24.7
261.05499	0.6
261.08978	2.3
262.09982	1.4
263.10641	10.3
273.09079	0.8
273.12061	0.4
275.07013	3.3
276.07797	17.6
277.08478	2.4
282.19257	0.6
290.09262	0.3
291.10126	100.0
292.10651	4.5
308.23666	0.3
309.21783	0.6
309.25320	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0972
Annotation	N-Malonyltryptophan
Peak:m/z	Relative Intensity
54.16592	1.3
54.73948	1.3
54.90713	1.4
67.66088	1.8
68.99779	1.7
69.46249	3.7
69.46655	10.4
87.00801	2.1
88.04003	2.5
98.21402	2.8
100.42130	1.4
107.04964	3.4
115.05442	7.0
118.06520	14.7
130.06516	99.6
131.06863	1.8
132.08089	39.2
133.06497	2.8
142.06505	13.7
143.07304	3.2
144.08031	6.8
146.05995	24.1
154.06447	2.0
156.08072	2.7
157.07620	6.4
158.06027	2.6
158.08440	3.3
159.09167	100.0
160.07582	5.9
167.05971	1.8
169.07643	3.6
170.05998	38.5
172.07553	2.2
181.07553	3.3
183.09232	5.5
184.07558	15.7
185.07076	46.5
187.08661	5.4
188.07051	45.4
196.20461	1.4
199.08650	4.0
200.07021	10.5
201.10258	16.2
209.07118	2.9
227.08124	50.2
228.08556	1.6
229.09732	2.9
231.07675	2.5
245.09190	72.3
255.07722	4.5
273.08771	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	291.1012
Annotation	Aurin
Peak:m/z	Relative Intensity
55.05486	0.4
56.73479	0.4
58.43953	0.3
64.94556	0.3
67.05466	0.5
69.07046	0.4
69.47143	3.2
70.06571	0.7
72.62910	0.3
77.92331	0.4
79.05483	0.5
81.03384	0.3
81.07026	0.7
91.05470	1.0
95.08584	0.3
105.03333	0.3
105.07001	1.1
107.04937	0.8
107.08569	0.4
109.10141	0.3
113.15273	0.3
115.05509	0.7
117.03355	0.3
117.06996	0.5
119.08548	0.4
129.06969	0.5
131.04893	0.4
131.08556	0.8
131.91411	0.3
133.10124	0.3
135.08054	0.6
143.08600	0.4
145.06436	0.4
145.10077	0.5
152.06248	0.4
153.06949	0.4
157.06543	0.5
157.10181	0.4
159.07951	0.4
159.11713	0.3
161.05952	0.4
165.06967	1.5
169.06458	0.4
177.06981	0.4
178.07790	0.7
179.08551	0.5
185.13202	0.6
187.07581	0.3
189.06967	1.3
190.07776	1.0
191.08519	5.9
192.09283	2.6
198.06783	0.4
201.06885	0.3
202.07750	24.5
203.08527	28.4
204.09238	2.0
205.06453	3.6
205.10005	0.4
206.07198	0.7
207.08072	0.6
213.06972	1.4
215.08556	1.9
217.06506	0.3
218.07207	1.5
219.08029	11.9
220.08795	9.3
221.09470	0.6
222.06793	0.7
229.06493	0.7
230.07216	3.9
231.08025	36.5
232.08772	8.7
233.05988	1.4
233.09532	0.8
234.06555	0.6
235.07445	0.8
235.11179	1.7
241.06412	0.8
242.07176	0.6
243.08012	0.9
245.05995	0.3
245.09586	1.4
246.06744	0.5
247.05582	0.2
247.07503	9.3
248.08296	22.9
249.08929	1.2
258.06766	3.7
259.07529	33.0
260.08295	23.6
260.12360	0.5
261.05508	0.3
261.08981	1.8
262.06390	0.3
262.09747	2.0
263.10638	13.6
273.09027	0.9
273.18420	0.6
274.09778	0.7
275.06979	4.0
276.07788	17.3
277.08527	3.2
290.09067	0.5
291.10098	100.0
292.10635	6.1
310.04013	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0972
Annotation	N-Malonyltryptophan
Peak:m/z	Relative Intensity
51.22363	0.6
52.47741	0.5
55.01844	1.3
58.43702	0.5
60.40231	0.5
60.45407	0.6
65.21542	0.6
67.05513	0.6
69.03425	1.1
70.06573	1.7
70.42239	1.8
70.42574	0.6
71.08632	5.0
74.02431	0.8
79.05461	0.7
81.07028	0.8
84.08108	1.1
85.02907	1.4
86.09694	0.7
87.00798	1.3
88.03967	1.9
91.05464	1.8
92.36136	0.6
93.07057	0.7
95.08588	0.9
99.08082	7.1
100.19064	0.6
102.00940	0.6
103.05424	0.6
105.07020	2.9
107.04921	0.9
107.68494	0.7
115.05452	6.0
115.10098	0.5
117.05718	2.8
117.06966	1.1
118.06514	2.4
119.07306	9.9
119.08550	1.0
120.08105	1.1
120.15916	0.6
123.04405	0.6
129.10246	0.8
130.06517	46.3
131.08549	0.7
132.08075	22.5
134.04491	3.4
140.90816	0.7
142.06516	5.8
143.08531	0.6
150.87163	0.6
157.07558	1.7
158.06029	1.1
158.28654	0.6
159.09161	100.0
160.07584	1.6
160.09483	2.1
172.99994	0.6
175.11249	0.6
177.10231	2.5
184.07555	3.7
185.07027	3.4
185.13179	0.7
199.03856	0.8
199.08618	1.1
203.14314	1.2
205.09714	15.6
205.11618	1.1
227.08156	12.6
231.07805	0.8
245.06731	1.3
245.09201	20.5
255.07536	1.1
273.08707	4.4
291.10016	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	291.0923
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55734	0.9
53.20435	0.9
55.01873	1.3
56.96563	7.3
57.03419	2.5
57.20147	1.0
58.06607	0.8
61.02928	1.2
69.03419	3.5
69.81564	3.9
69.81966	2.0
70.06577	3.7
70.95883	1.0
70.99829	0.9
72.08129	1.1
73.02915	2.7
81.03434	1.8
81.07026	1.0
82.06568	0.9
82.99854	2.4
84.04486	2.6
84.08147	1.9
84.95979	1.3
85.02907	5.0
85.04834	1.7
87.04429	1.5
95.04912	1.0
97.02881	4.8
98.21379	1.7
98.97573	8.7
99.04493	1.0
101.00871	21.8
103.00617	1.4
103.02445	2.1
105.00330	1.5
109.02860	1.3
110.97538	1.7
112.99152	1.5
113.00870	4.7
114.05504	2.7
115.02450	1.7
116.98633	5.2
117.02149	1.3
119.01909	65.7
120.01991	1.9
121.01653	6.8
121.03484	1.7
127.02348	1.1
128.98581	1.5
129.06595	3.8
129.10237	1.1
131.00278	2.1
131.01889	34.2
132.95781	0.9
133.03407	4.2
133.04967	1.5
134.99597	1.8
135.03166	1.7
137.02962	12.6
139.02612	1.7
142.03520	1.8
143.01889	24.2
144.06584	1.5
145.01691	1.4
145.03453	10.8
145.04529	1.2
145.04939	0.8
145.06938	1.9
146.97382	1.3
146.99638	2.3
147.05016	4.1
149.01266	1.5
149.02954	7.3
154.03462	1.4
155.01884	12.6
157.03444	9.4
158.97340	1.7
159.01440	1.2
159.04991	1.0
161.02950	100.0
162.03064	2.9
163.02718	4.7
163.04510	3.3
164.98422	0.9
165.00636	1.5
165.06097	3.1
167.01836	2.6
169.04608	2.0
170.99681	1.4
171.05028	2.8
173.02954	35.9
173.04453	2.1
174.03111	1.8
175.02965	1.9
175.04527	6.7
177.00681	1.8
177.04065	1.1
178.04903	11.2
178.55182	1.1
179.04001	4.5
183.05067	1.6
184.04555	3.9
185.02937	19.2
187.00848	1.2
187.04471	3.6
188.98450	1.4
189.00684	2.6
189.06073	8.0
189.55708	1.1
191.02341	1.7
191.03960	14.0
193.03801	2.0
196.04504	1.2
197.02939	4.1
201.00668	1.5
201.06047	9.0
203.04007	17.3
203.07692	1.9
213.06120	1.6
215.03952	1.6
216.98035	1.6
219.01796	1.5
219.07153	9.9
220.07327	0.9
221.03160	1.0
221.05119	4.1
225.05954	1.8
231.07112	2.3
234.99030	3.4
237.02805	1.8
239.06088	0.9
245.05093	5.3
248.99139	2.1
249.02779	1.3
263.06256	1.1
267.00223	2.0
286.61954	1.0
290.84247	1.0
291.01669	3.2
291.09152	78.3
292.09644	2.9
309.04715	1.2
309.96185	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0838
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14920	2.7
53.03934	8.3
55.01854	4.9
55.05505	22.0
56.05029	6.9
56.96561	25.5
57.03414	6.3
58.94721	3.1
59.04987	4.4
60.04514	10.1
64.01328	2.6
67.05491	8.8
67.12265	2.7
69.03419	9.4
69.07059	3.9
70.06583	100.0
71.04975	9.0
71.06897	3.7
71.74487	4.2
72.08143	13.9
76.02200	5.0
77.49433	3.0
79.05488	7.7
80.05032	3.5
81.03407	49.5
81.07042	8.6
83.04967	17.8
84.04498	15.5
84.08137	27.0
84.96034	6.4
85.02886	9.5
85.07650	6.2
85.49097	3.0
86.09696	10.3
88.03974	12.8
89.95403	2.8
91.05460	9.0
93.07033	6.6
95.04971	6.9
95.06032	3.7
95.08586	4.6
98.06031	3.4
98.97569	13.0
98.98489	5.3
99.04440	10.3
100.07588	3.2
101.06016	22.8
105.07034	16.8
107.04957	3.8
107.08574	6.2
109.02856	48.3
109.06494	4.4
110.07139	13.4
111.04429	23.7
112.07645	4.9
112.08717	4.1
113.00563	4.3
113.07105	3.9
114.05555	3.9
115.08647	6.1
116.07082	22.5
116.98594	9.5
117.06995	5.9
119.08559	9.0
120.08110	6.4
121.01670	4.4
121.06532	5.8
123.04465	4.3
125.10793	2.9
127.03915	10.9
129.05466	20.5
129.10199	13.2
130.04951	5.3
131.04459	4.0
131.08545	3.6
133.06406	3.8
133.09836	6.5
134.04427	3.3
134.99658	7.4
136.06169	5.2
136.07561	5.9
143.00150	6.5
143.08479	5.8
145.05981	3.3
145.10112	9.5
147.04393	11.1
147.06506	10.8
147.07947	3.4
147.11365	2.7
157.10196	6.6
158.05621	4.2
158.09291	6.9
159.07649	6.7
159.11717	4.2
161.01227	17.7
161.09546	3.6
162.99077	3.7
176.06735	6.4
177.00682	6.4
179.04825	3.3
180.67673	3.4
185.13203	11.2
203.14304	14.4
205.00183	4.1
210.01392	3.9
223.01222	4.4
231.13765	5.3
237.02765	4.5
248.99055	4.0
249.14885	5.6
249.33974	3.8
267.00153	4.3
273.09674	8.9
291.08035	16.4
291.13049	30.9
291.15894	4.8
291.19357	7.6
291.22348	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0859
Annotation	(2R-cis)-2-(2,5-Dihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol
Peak:m/z	Relative Intensity
53.03932	0.9
55.01857	2.9
55.05500	1.5
57.03416	1.3
57.07064	5.5
60.04528	0.5
65.03915	1.8
67.05500	3.4
67.61332	0.6
68.99777	2.2
69.03407	2.1
69.07042	1.2
70.06570	2.5
71.74094	0.9
72.03468	0.7
72.08128	2.9
79.05463	2.5
81.03403	1.5
81.07045	2.4
83.04964	2.5
84.04493	4.2
84.08142	3.4
85.02890	1.7
86.09677	1.1
91.05460	4.4
93.03415	0.9
93.07027	1.8
95.04971	5.0
95.08579	1.7
97.02882	1.4
97.06496	1.0
105.03397	0.9
105.07018	3.7
107.04912	1.0
107.08552	1.6
109.02850	0.8
109.06496	0.8
109.10136	0.9
111.04415	3.5
115.05455	2.0
117.07035	1.2
119.04921	7.8
119.08573	2.3
120.08101	1.6
121.06467	1.0
123.04415	66.7
124.04682	0.7
127.03908	1.9
128.06157	0.8
129.07024	1.2
130.04936	0.7
130.06514	1.4
130.08607	1.1
130.13582	0.8
131.04898	1.2
132.10155	0.8
133.06458	1.8
133.10117	0.8
135.04417	1.3
136.06265	1.1
136.07552	1.4
137.02332	1.2
137.05882	1.1
137.09618	1.6
138.09142	0.8
139.03882	100.0
140.04208	1.5
140.07071	0.7
143.04912	2.4
143.08549	1.3
145.10118	1.0
147.04398	21.2
147.11717	0.7
149.05971	1.3
151.03896	1.8
151.07503	1.0
153.05392	0.9
154.04918	0.8
157.10089	1.3
159.11650	0.9
161.05951	9.3
161.13245	0.9
163.03893	1.2
165.05455	13.2
165.09068	0.7
166.82767	0.8
169.04922	2.7
175.14742	1.1
177.05396	1.1
179.06987	2.3
181.04901	1.0
181.43221	0.6
185.13297	1.5
189.05452	1.6
199.12285	1.1
203.06854	0.9
203.14272	2.0
207.06474	6.3
214.08719	0.8
214.10936	1.4
227.11896	0.6
245.12891	1.1
246.11176	0.8
249.13351	1.2
254.99918	0.8
273.07635	1.8
273.12326	7.3
274.10651	1.5
291.08548	6.5
291.13278	8.8
291.16248	0.8
291.19803	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	290.175
Annotation	Mesembrine
Peak:m/z	Relative Intensity
55.05499	1.2
56.05029	2.7
56.96555	1.1
57.07067	2.2
58.06588	1.1
60.04542	0.6
63.63610	0.5
65.03931	1.6
67.05498	8.2
69.07052	4.6
70.06554	0.8
71.08617	1.1
71.75294	0.6
74.06069	2.2
79.05479	2.6
81.07044	2.4
82.06561	2.3
83.04948	0.8
83.08600	0.6
85.02919	0.6
87.31236	0.6
88.07115	0.7
88.07624	9.2
91.05473	1.8
92.40369	0.5
93.03391	1.0
93.07030	3.3
95.08610	2.1
97.06526	2.0
105.07027	1.1
107.08576	2.2
109.10152	0.7
110.06035	24.6
111.04436	10.4
118.08624	1.3
118.60282	0.5
122.08141	1.4
123.04417	2.2
131.08557	0.7
133.10202	1.0
135.08107	0.8
135.11670	3.0
137.05949	1.2
138.05489	100.0
142.07823	0.6
147.08141	0.7
155.08611	0.6
157.35568	0.5
161.05957	0.7
163.07498	1.8
169.09683	0.8
177.09042	0.7
178.09406	0.6
184.12000	2.6
202.13063	0.8
226.11136	1.8
228.23222	0.7
230.12535	2.5
232.58823	0.5
237.51405	0.7
242.24736	9.5
244.12234	1.1
253.19710	0.6
255.13594	0.6
273.14703	0.7
290.17545	4.9
290.26852	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	290.2111
Annotation	Dyclonine
Peak:m/z	Relative Intensity
53.03927	0.4
55.01858	1.4
55.05511	1.9
56.96568	0.4
57.03424	0.3
57.07063	0.8
59.04994	0.3
67.05500	1.3
68.05820	0.3
69.03418	0.4
69.07063	4.3
69.52174	2.2
69.52589	0.4
70.06573	1.1
71.08614	0.3
72.08138	0.5
73.02911	3.1
73.06542	2.1
75.44176	0.2
79.05497	1.7
80.05797	0.3
81.03413	0.5
81.07060	2.1
81.20228	0.3
83.04986	0.4
83.08596	0.8
84.04492	3.1
84.08139	0.3
85.02918	0.5
88.07656	1.5
91.05472	2.2
93.07055	1.7
94.07400	0.3
95.04937	0.6
95.08588	1.2
97.10153	0.4
103.03924	0.4
103.05453	0.3
105.07011	1.9
106.06557	0.3
106.07299	0.3
107.04924	1.0
107.08570	1.2
109.06530	0.6
109.10157	0.6
110.10336	0.3
114.09199	0.4
115.86304	0.3
116.98595	0.4
117.06972	0.8
118.06533	11.2
119.07330	0.5
119.08575	2.3
120.08070	0.5
121.06509	0.8
121.10139	0.6
123.08066	0.5
125.09602	0.3
126.05511	0.6
128.75800	0.2
129.06969	0.5
131.08578	1.0
132.08081	4.3
132.10185	1.3
133.06488	0.8
133.08858	2.1
133.10092	0.8
134.09639	1.1
135.08034	0.6
143.08504	0.9
144.08896	0.3
145.10094	1.2
146.09624	3.6
146.10696	0.3
147.08035	1.0
147.10358	0.5
147.11601	0.2
149.09608	0.8
150.11221	1.1
157.10100	0.6
158.10556	0.4
159.11716	0.6
160.11119	0.5
160.22807	0.2
161.11987	0.3
169.09677	0.5
176.14337	43.7
177.14656	0.8
184.12042	1.2
185.13219	0.5
202.15909	1.0
203.14417	0.5
210.09039	0.3
230.12578	1.1
232.13310	0.9
246.14915	1.3
246.24361	0.3
247.15640	0.5
247.94701	0.3
255.17387	0.3
260.16504	0.9
272.17322	0.3
273.18442	1.3
290.21127	100.0
290.26691	5.2
291.19022	1.0
291.21436	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	290.0867
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.9
55.01861	0.5
55.05493	0.5
56.05035	3.0
57.03433	2.4
57.03675	0.5
57.07079	2.6
60.04510	1.3
61.02916	3.4
61.12749	0.5
61.72547	0.5
68.99792	3.8
69.03427	1.5
69.72189	1.5
69.72599	2.2
70.06591	7.8
71.08643	1.0
72.04497	0.6
73.02908	2.4
75.04464	1.0
80.05013	0.6
81.03411	3.9
81.06995	0.5
84.04499	100.0
84.08157	1.3
85.02899	16.6
85.10180	0.6
87.00816	7.2
88.07618	6.6
96.04472	2.2
97.02883	2.5
98.06052	4.4
99.04458	0.7
103.03936	14.4
105.01833	2.6
106.08662	1.0
108.04436	2.7
109.02867	3.1
110.06026	1.0
114.05534	0.6
114.09186	2.4
118.08633	0.9
120.56807	0.5
126.05505	23.1
127.03918	2.8
129.01863	4.6
132.09210	0.9
132.10191	9.4
144.06529	1.1
147.02864	4.1
150.11244	8.3
156.06508	1.0
168.06543	7.1
169.09766	0.8
171.02823	1.9
184.12064	1.8
186.07559	2.9
189.03929	5.3
202.13153	0.8
204.08633	2.8
228.08586	0.7
228.23280	0.8
230.12599	1.5
246.24324	3.0
272.07709	3.6
290.05585	1.1
290.08664	11.7
290.14114	0.9
290.26874	45.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	290.0868
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.1
55.01846	0.7
55.05506	1.5
56.05018	2.4
57.03426	3.2
60.04512	2.5
61.02933	4.2
63.08050	0.6
68.99788	4.6
69.03423	2.1
70.06592	1.1
71.40781	1.3
72.04519	0.7
73.02911	2.4
80.05009	0.8
81.03414	3.6
84.04501	100.0
84.08138	0.9
85.02901	16.8
85.04811	0.7
87.00826	5.8
87.54814	0.6
91.05454	0.7
91.38882	0.7
93.07036	0.7
96.04485	1.8
97.02896	4.2
98.06033	5.2
99.04475	1.1
103.03934	16.5
105.01881	2.7
105.07053	1.0
108.04456	3.2
109.02862	4.0
110.06026	1.0
122.06036	0.7
125.02286	0.7
126.05505	26.3
127.03905	4.6
129.01810	5.4
133.06529	1.3
144.06615	1.0
147.02878	3.7
156.06535	1.8
164.81520	0.7
168.06548	9.7
171.02907	1.1
184.12073	1.6
186.07578	3.1
189.03923	6.0
204.08725	3.3
212.05606	0.8
228.08769	1.4
230.12607	1.0
231.07977	1.1
248.08290	0.7
259.07538	0.9
272.07764	2.3
290.08652	17.5
291.10162	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	290.0866
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	1.1
53.24223	0.5
55.01851	0.6
55.05498	1.6
56.05032	2.7
57.03439	3.4
60.04517	2.3
61.02925	4.1
67.05499	0.6
68.05022	0.9
68.99790	3.6
69.03413	2.3
69.79906	2.2
69.80337	1.5
70.06581	1.9
72.04521	0.6
72.08155	0.6
73.02901	1.8
79.05492	0.8
80.04990	1.1
81.03432	3.0
84.04497	100.0
85.02893	16.5
85.04796	0.6
87.00825	6.9
91.05464	0.5
96.04484	1.8
97.02879	3.8
97.05267	0.6
98.06046	5.6
99.04459	1.8
100.03951	1.0
102.20256	0.6
103.03935	17.2
103.04603	1.2
105.01861	3.0
105.07029	0.8
107.08594	0.7
108.04493	1.8
109.02864	3.2
110.06034	1.2
126.05507	27.8
127.03934	3.6
129.01825	5.9
129.07010	0.5
130.07281	0.5
132.08957	0.6
137.05986	2.1
138.06261	1.0
140.07079	0.5
144.06593	1.5
144.08881	0.5
145.04941	1.5
145.10158	0.6
147.02905	4.1
155.08536	0.5
156.06581	2.0
156.08910	1.1
157.10091	0.6
158.28169	0.6
159.08115	0.7
165.05408	0.6
168.06538	10.1
169.09717	1.4
171.02841	0.7
184.12073	1.7
186.07669	3.0
189.03960	4.5
195.82591	0.6
197.01289	1.1
204.08681	3.2
212.05643	1.1
213.04033	0.6
220.53453	0.6
228.08749	1.5
230.12608	2.4
272.07632	3.6
290.08725	16.6
290.18158	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	290.0865
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.0
54.03455	0.5
55.05492	0.5
56.05028	2.5
57.03427	2.6
57.13575	0.5
60.04515	1.8
61.02923	2.7
68.99782	3.9
69.03409	1.9
69.77341	1.3
69.77753	2.6
70.06601	0.8
71.10342	0.4
72.04498	0.7
73.02888	2.5
75.04487	0.6
80.05013	0.8
81.03403	3.4
84.04495	100.0
84.34013	0.5
85.02898	14.1
85.04845	0.9
87.00816	7.6
89.01194	0.5
96.04478	0.7
97.02889	3.6
98.06043	2.2
99.04435	1.7
103.03929	16.2
105.01859	2.7
108.04482	2.2
109.01749	0.6
109.02874	4.0
114.05519	0.6
126.05504	26.2
127.03908	3.1
129.01825	5.1
129.08128	0.5
134.75212	0.5
144.06575	1.3
145.04936	0.5
147.02869	4.5
156.06532	1.2
168.06558	8.6
171.02850	1.3
186.07631	2.7
187.08406	0.5
189.03963	5.2
189.05524	0.8
204.08578	3.0
212.05531	0.8
213.03905	0.5
228.08670	1.2
272.07623	4.5
290.08679	15.0
291.09995	1.0
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	0.7
53.05094	0.3
55.05476	0.5
56.05026	2.9
57.03429	3.2
60.04526	1.9
61.02915	3.6
64.90843	0.3
68.05022	0.7
68.99787	3.9
69.03417	1.7
70.06577	1.3
71.04979	0.4
72.04502	0.6
72.54528	0.4
73.02909	2.3
75.04474	0.7
79.03935	0.4
80.05009	1.1
81.03407	3.2
82.02929	0.5
84.04495	100.0
85.02377	0.8
85.02895	16.2
85.04818	0.9
87.00817	7.5
87.01299	0.6
96.04488	1.3
97.02892	3.6
98.06046	4.2
98.21410	0.7
99.04461	1.2
100.03967	0.9
100.24643	0.4
103.03242	0.8
103.03935	16.2
105.01855	2.9
108.04479	2.4
109.02866	3.5
110.06042	1.1
114.05474	0.4
115.03894	0.3
126.05500	28.0
127.03937	3.1
129.01823	7.1
140.07098	0.4
144.06572	1.4
147.02885	3.7
150.05493	0.7
153.01814	0.6
154.02174	0.4
156.06569	1.8
168.06552	9.8
169.04999	0.9
171.02869	1.7
186.07614	4.1
189.03934	6.5
204.08652	2.5
212.05486	0.7
228.08755	1.0
253.70372	0.4
272.07578	4.4
290.08725	14.9
291.14511	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	290.0867
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83960	0.5
53.03935	0.7
55.01874	0.7
55.05500	0.9
56.05032	2.4
56.05266	0.4
57.03427	2.5
60.04522	2.5
61.02924	3.7
61.38750	0.4
68.99784	4.4
69.03424	2.3
69.51070	0.4
69.67604	1.1
69.68018	1.8
70.06580	1.9
71.04964	0.8
72.04507	0.6
72.08154	0.6
73.02911	3.6
74.06080	0.5
80.05015	1.4
81.03088	0.3
81.03417	4.1
83.19357	0.4
84.04495	100.0
85.02377	0.8
85.02897	15.9
85.04832	0.9
87.00819	6.8
91.05495	0.6
96.04477	1.8
97.02891	4.7
97.05287	0.4
98.06038	4.6
99.04443	1.6
100.03989	0.7
103.03928	15.9
105.01855	3.3
108.04469	3.0
109.02876	3.5
110.06049	1.2
112.03983	0.5
120.08150	0.5
126.05502	27.3
127.03915	3.3
129.01839	5.4
140.07076	0.8
144.06590	1.5
145.04950	0.5
147.02881	3.4
150.05513	0.7
156.06569	1.5
168.06561	9.8
171.02933	1.7
176.18741	0.4
184.11900	0.5
186.07619	2.9
188.07063	0.8
189.03932	5.2
204.08687	2.7
210.24100	0.4
212.05566	0.9
213.03851	0.5
228.08607	0.8
230.06633	0.7
230.12569	0.4
272.07523	3.6
290.08694	13.2
291.09406	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	290.0183
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86650	2.8
55.05487	4.5
56.05025	3.2
56.96560	84.1
57.03426	4.3
58.06586	4.0
60.04507	3.4
60.05630	6.6
60.54971	2.9
61.02879	3.5
67.05479	4.8
68.05017	3.2
69.03410	10.3
69.07056	4.1
70.06589	47.5
70.53245	7.8
70.53622	5.2
71.04977	5.1
72.04514	3.6
72.08146	18.3
72.93793	4.1
73.06532	2.7
74.06068	7.6
74.97594	18.9
76.03992	2.5
79.05470	3.6
81.03409	6.2
81.07039	3.6
82.06575	3.8
82.21881	2.3
84.04506	20.3
84.08127	24.4
84.95985	2.4
85.02882	16.4
86.09706	33.0
86.65294	2.7
86.97594	4.3
88.03963	3.1
90.94816	3.4
91.05464	6.9
92.98658	3.6
93.64553	2.3
97.02884	10.0
98.09670	2.6
98.97574	90.3
99.04428	3.9
102.05499	2.8
107.04922	3.2
109.02884	3.0
109.10120	3.4
110.06046	4.7
110.07140	6.1
112.08727	5.3
112.19377	2.4
114.05527	3.8
114.09150	3.9
116.07076	4.4
116.98615	73.0
119.01909	6.3
119.04878	2.9
120.01988	5.1
120.08070	4.4
123.04462	4.2
125.07067	3.0
126.05529	2.4
127.03880	5.7
128.07170	4.8
128.08182	7.2
128.98611	4.6
129.10220	5.0
131.01900	3.7
132.98053	12.8
133.03426	4.0
134.99648	52.7
135.04337	2.7
137.05989	7.1
140.00163	4.2
140.07068	2.8
143.00150	11.7
143.11731	4.8
144.06546	7.9
144.98036	3.2
146.99612	5.8
147.04393	4.0
150.99132	40.3
153.00713	6.5
157.07616	4.2
157.13361	13.3
158.06734	2.9
158.99686	18.1
160.14424	5.1
161.01234	19.3
161.09358	2.6
168.00809	3.4
169.00194	25.6
169.09563	3.0
173.12790	3.2
174.99173	15.8
175.11916	6.9
177.00694	31.1
180.00821	13.9
181.02295	2.6
184.12090	5.0
185.12830	3.4
190.98578	4.1
193.00169	28.2
196.00322	4.6
198.01874	39.2
200.10437	3.4
202.13077	4.9
206.98109	16.1
211.01241	7.7
211.04610	4.8
216.03091	3.4
220.02068	3.3
223.01228	3.9
224.99112	6.2
227.11790	4.7
230.12555	6.3
237.02777	5.3
239.00693	6.2
241.02425	15.2
248.99123	24.3
257.01816	11.4
259.03482	25.7
267.00226	94.7
272.01047	3.7
273.12231	7.4
285.01334	100.0
285.04520	4.8
290.01782	16.1
290.12006	3.7
290.14981	8.0
290.20953	4.6
308.02753	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	289.2004
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	4.0
53.66093	1.5
55.01855	5.7
55.05504	36.9
57.03430	25.9
57.07044	2.6
64.99718	1.4
65.03912	2.2
65.35208	1.3
67.05497	55.6
68.99787	1.5
69.03414	4.1
69.07063	28.7
70.06599	3.3
70.35322	5.8
71.04984	20.9
72.08150	4.7
73.06522	1.4
74.06052	2.1
77.03934	1.6
79.05481	28.5
81.03413	2.4
81.07046	88.3
83.04979	7.3
83.08604	23.8
84.04481	4.2
84.08154	2.6
85.06525	15.8
87.37224	1.4
91.05466	28.4
93.07026	29.0
95.01332	2.0
95.04950	6.6
95.08591	100.0
97.06523	22.2
97.10162	6.8
98.58038	1.3
99.08080	7.3
105.04547	1.7
105.07010	26.9
107.04938	4.0
107.08584	14.3
109.06512	7.2
109.10146	16.3
111.08083	5.9
113.09632	2.1
113.77446	1.5
114.10268	4.2
115.05486	3.4
116.98612	1.6
117.06995	5.0
119.08554	28.4
121.02840	3.0
121.06481	2.3
121.10110	9.4
123.08051	6.2
124.07587	1.8
125.09630	2.0
128.06230	4.6
129.05524	1.5
129.06963	8.4
131.08551	10.1
133.06496	2.6
133.10117	19.3
135.08018	3.4
135.11685	7.8
136.07556	24.0
137.05960	2.2
137.09593	5.6
137.13237	9.5
138.09100	14.9
141.06992	5.6
142.07762	5.1
143.08492	9.6
144.09322	1.6
145.06546	2.8
145.10130	6.6
147.04376	2.1
147.11664	4.0
149.05986	1.6
149.13264	3.5
152.07036	2.3
153.01804	7.8
153.06946	4.9
155.08522	11.0
157.06541	1.7
157.10127	8.1
159.08070	4.6
159.11693	5.2
161.13243	50.3
163.03902	6.1
164.07053	29.6
167.08582	3.3
168.09303	11.7
169.09995	2.9
171.08047	1.7
171.11707	1.9
173.05978	1.5
173.09515	3.0
173.13304	4.7
175.11172	3.6
179.14301	22.4
183.11667	27.4
185.09514	2.1
185.13258	2.2
187.07542	4.1
196.87903	1.4
197.15343	8.0
201.12695	8.2
203.10603	1.6
211.11201	4.9
211.15028	1.7
229.12202	21.1
237.52049	1.7
243.13664	1.5
247.13252	1.6
253.06816	1.6
253.18005	4.3
271.16458	2.0
271.19052	27.1
289.05872	8.9
289.11484	3.2
289.14761	13.4
289.20105	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	289.1795
Annotation	15alpha-Hydroxyestradiol
Peak:m/z	Relative Intensity
53.03937	5.2
55.01867	6.2
55.05502	14.4
57.03427	1.4
65.03921	2.7
67.05139	1.6
67.05496	20.5
69.03412	4.2
69.07061	6.7
69.91222	1.0
70.98068	2.9
71.04991	1.3
73.95641	1.0
79.05483	32.4
81.03407	8.1
81.07049	62.9
83.04967	7.0
83.08601	4.0
84.22625	1.0
85.06508	1.7
91.05470	28.3
92.06246	1.1
93.07035	16.5
94.45969	0.9
95.04952	6.6
95.08589	13.9
97.02894	2.3
97.06514	1.9
103.05414	1.8
105.07022	24.0
107.04926	9.5
107.08578	11.4
109.02875	1.8
109.06510	26.8
109.10133	3.7
115.05424	3.6
116.06198	1.5
117.07001	12.0
119.04905	4.2
119.08560	14.1
121.06498	8.9
121.10110	4.2
123.04428	1.7
123.08050	2.2
125.06018	1.1
127.11144	1.1
128.06221	4.4
129.06999	6.9
130.07822	1.3
131.08549	14.2
133.06442	6.1
133.10144	11.2
135.04358	2.0
135.08032	8.1
137.05930	2.1
137.09570	1.8
140.81580	1.0
141.06976	5.5
142.07750	4.6
143.08548	11.7
144.05611	1.3
145.06477	6.2
145.10088	9.8
147.08002	4.2
147.11655	2.1
149.05934	2.4
149.09599	2.4
149.13196	1.2
151.07500	1.2
151.11171	2.5
153.06960	3.3
154.07692	1.5
155.08522	9.2
157.06488	1.2
157.10133	6.1
158.07246	1.7
159.04442	0.9
159.08037	16.5
159.11693	4.6
161.05879	1.6
161.09605	8.2
161.13229	1.0
163.07503	6.6
163.11142	14.5
167.08507	2.4
168.09315	5.5
169.10095	3.4
171.08075	4.4
171.11702	1.8
173.09612	16.2
173.13194	5.1
174.10335	1.1
175.11139	3.7
177.09038	1.8
177.12723	3.8
179.10637	6.6
183.11684	17.4
185.09637	1.8
185.13205	1.6
187.07616	1.3
187.11148	2.2
189.09045	1.1
191.10579	1.5
193.08540	1.3
197.09558	1.3
201.12743	4.3
203.10562	1.7
211.11205	5.0
215.17998	1.2
217.12308	1.7
219.13705	1.4
229.12224	16.1
243.17451	2.9
253.15782	2.9
261.22049	3.6
271.16898	100.0
272.17188	3.5
289.14713	2.1
289.17960	16.7
289.21567	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	289.1795
Annotation	15alpha-Hydroxyestradiol
Peak:m/z	Relative Intensity
55.01848	2.8
55.05283	1.0
55.05508	14.0
56.05018	1.0
57.07053	1.6
66.83325	1.0
67.05498	8.8
69.07032	3.9
70.06580	1.3
71.04974	2.2
71.34031	1.3
71.34391	2.1
74.06063	1.8
79.05485	10.4
81.03400	1.4
81.06693	0.9
81.07051	10.6
82.65942	1.0
83.04943	1.8
83.08604	7.2
84.04485	1.0
88.07618	4.9
91.05472	29.7
93.07034	9.5
95.04939	2.8
95.08566	2.9
97.06478	1.0
97.10169	4.8
104.06200	1.7
105.06431	1.3
105.07030	12.4
106.08620	2.2
107.04916	1.6
107.08568	6.6
109.06487	1.8
109.10123	2.7
111.08046	3.0
115.05421	4.1
117.07014	19.8
119.04916	2.8
119.08571	100.0
121.06469	1.5
121.10089	4.6
123.08043	2.3
125.09575	1.4
128.06215	5.0
129.06993	10.0
131.04939	2.6
131.08545	9.1
132.05644	1.5
133.06483	7.2
133.07326	1.3
133.10135	6.0
135.07054	1.2
135.08044	17.0
137.09523	1.3
139.73671	1.0
141.06967	4.5
142.07732	4.2
143.08566	8.2
144.05701	3.4
145.06442	4.9
145.10127	11.5
147.08035	52.5
147.11674	1.8
149.09558	2.2
153.06972	2.3
154.07777	1.2
155.08569	6.8
157.06522	1.4
157.10139	15.0
159.08047	84.6
159.11638	3.3
161.09610	9.5
163.07481	1.6
166.07716	1.2
167.08549	1.4
168.09306	4.1
169.10059	6.4
171.08052	1.3
171.11642	1.9
173.05980	1.2
173.09615	15.0
173.13194	1.8
175.07532	2.8
175.11147	2.0
179.08548	1.3
181.10010	1.3
183.08044	1.0
183.11685	12.6
185.09607	3.2
185.13287	1.2
187.07486	1.6
187.11125	2.3
193.10069	1.1
196.08711	1.4
197.09691	1.4
197.13220	1.2
201.12686	4.2
206.10695	1.1
207.11710	1.8
211.11124	3.8
211.14743	1.4
224.11929	1.6
225.09065	1.8
225.12808	1.6
225.16310	3.2
229.12210	8.3
235.14780	2.3
242.24670	2.2
243.17418	1.7
253.15878	12.8
271.09702	1.3
271.16919	32.8
274.17178	1.2
289.11078	5.3
289.17911	72.5
289.29181	13.4
290.18213	2.7
290.26947	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	289.1796
Annotation	15alpha-Hydroxyestradiol
Peak:m/z	Relative Intensity
53.03935	4.7
55.01866	10.4
55.05506	47.8
56.00051	1.7
57.03435	18.8
60.32120	1.7
62.63546	1.9
65.03917	1.6
67.05489	23.7
69.03407	4.4
69.07056	13.1
70.05099	9.9
72.90511	1.5
77.62308	2.3
79.05487	32.2
81.03372	2.1
81.07041	33.1
83.04957	4.9
83.08607	18.9
91.05465	27.3
91.05984	3.1
93.07048	13.6
95.04943	4.2
95.08592	5.3
95.49182	1.6
97.06535	2.4
97.10158	26.7
97.76131	2.0
103.05462	3.8
105.07021	19.4
107.04950	4.2
107.08576	22.2
109.06515	3.1
109.10159	5.3
115.05453	20.2
117.07011	80.1
119.08557	22.8
121.06539	1.8
121.10164	3.8
125.09637	16.0
128.06223	9.9
129.06978	15.2
131.08565	22.4
131.82553	1.7
133.06490	2.5
133.10146	4.8
135.08017	10.6
137.09663	1.7
141.06972	8.7
142.07785	9.2
143.08557	27.4
144.09370	1.6
145.06474	71.7
145.10103	11.4
147.08022	6.7
147.11644	2.2
149.09618	2.9
153.06987	5.4
153.09071	3.4
155.08514	17.2
157.10115	19.9
159.08055	14.6
159.11734	8.1
160.25128	1.8
161.09631	2.7
167.08539	4.1
168.09332	11.4
169.10115	10.0
171.10220	2.4
171.11713	5.7
173.09657	8.1
173.11717	2.2
173.13258	5.0
183.11697	37.1
185.09599	2.8
185.13205	3.5
187.07521	4.5
187.11191	5.6
187.14871	3.5
189.11211	7.1
193.10072	2.6
197.13179	3.8
200.49600	1.7
201.12750	10.5
203.10710	3.0
211.11160	9.3
215.14299	19.6
225.16235	10.5
229.12204	27.0
232.85059	1.6
243.17587	8.7
253.15828	8.8
268.18503	1.9
271.16904	100.0
272.17288	2.8
289.14664	3.7
289.17950	22.3
289.21329	3.1
289.29306	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1755
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	2.5
56.05025	3.1
57.07065	0.6
67.05501	1.4
70.06583	0.4
71.07381	0.8
71.73210	0.5
72.08142	2.4
73.06553	0.3
76.12962	0.3
82.06571	0.9
84.08134	51.6
85.02935	0.3
85.08469	0.4
86.09711	1.5
88.03963	0.3
102.09166	0.9
102.80390	0.3
109.68265	0.3
130.08627	100.0
130.30249	0.3
131.08965	0.8
132.10208	0.4
133.33670	0.2
148.15327	0.3
181.31453	0.3
183.11665	0.4
229.12288	0.4
243.16930	1.0
285.80505	0.3
289.12244	0.5
289.17548	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1794
Annotation	16-Epiestriol
Peak:m/z	Relative Intensity
53.03941	1.7
53.40854	0.6
55.01858	3.2
55.05505	12.3
57.03416	1.4
57.07071	3.6
58.06589	0.7
58.07383	1.0
60.81453	0.7
61.61432	0.6
65.03940	1.5
66.18007	0.7
67.05497	6.4
69.07064	4.2
70.06591	2.5
71.04993	1.7
71.08617	1.5
71.33617	1.5
74.06062	0.8
79.05485	10.6
81.07042	11.5
83.04953	1.0
83.08613	7.5
88.07620	6.1
89.07961	1.0
91.05469	28.3
93.07032	7.8
95.04951	2.2
95.08596	3.9
97.06515	0.9
97.10137	5.0
103.05450	2.0
104.06217	1.2
105.03331	0.9
105.07015	11.3
106.08646	4.5
107.04926	1.8
107.08511	4.8
109.06487	1.4
109.10155	3.2
111.08066	3.3
115.05397	3.8
116.06271	1.0
117.07001	18.4
119.04894	3.5
119.08564	100.0
120.08914	1.2
121.06529	1.1
121.10091	4.8
123.04412	0.7
123.08047	2.6
125.09602	1.6
128.06198	3.9
129.06989	10.5
130.07834	0.9
131.04898	2.3
131.08545	10.2
132.05684	1.1
133.06494	6.5
133.10106	5.5
135.08034	15.8
137.09605	1.1
138.76727	0.7
141.06978	4.3
142.07759	2.8
143.08516	9.2
143.95903	0.7
144.05704	3.2
145.06477	3.2
145.10112	9.7
147.08031	52.6
147.11636	1.0
148.08284	0.9
149.05963	1.1
149.09608	2.2
153.06964	1.5
154.07779	1.5
155.08528	6.9
157.06451	1.1
157.10101	11.3
159.08032	83.0
159.11655	3.2
160.08449	0.9
161.09604	7.8
163.07549	1.8
165.06808	0.9
167.08508	0.9
168.09317	3.8
169.10121	7.0
171.07977	1.3
171.11708	2.4
173.09593	16.0
175.07578	3.7
175.11105	1.0
183.08022	1.1
183.11646	9.8
185.09555	3.5
185.13310	1.7
187.11171	2.5
197.09618	1.4
199.11082	1.5
201.08957	1.0
201.12659	3.9
209.13193	1.3
211.11201	2.8
225.12640	1.2
225.16377	3.3
229.12228	7.5
235.14774	2.4
242.24696	1.6
243.17372	2.3
247.13116	1.1
253.15862	10.2
271.16910	31.4
272.17188	1.0
289.11139	4.7
289.17920	79.7
289.29257	20.7
290.18268	1.8
290.26920	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	289.1754
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31980	0.2
55.05503	4.4
56.05027	3.1
57.07061	0.7
60.47549	0.2
63.21699	0.2
65.82664	0.2
67.05500	1.6
70.06563	0.4
71.07354	0.7
71.49188	0.5
72.08147	2.9
78.27710	0.2
82.06575	0.9
84.08132	54.9
85.08493	0.4
86.09705	1.7
91.05469	0.3
91.95174	0.2
98.07154	0.4
102.09164	1.4
105.73615	0.2
108.74384	0.3
109.10162	0.3
122.05995	1.4
123.06640	0.6
126.06628	2.3
130.08624	100.0
131.08963	0.8
132.10170	0.4
140.68697	0.3
143.43657	0.2
151.06143	1.3
153.01718	0.5
157.08478	0.3
157.10156	0.2
168.08853	0.5
183.11642	1.0
187.07520	0.3
194.38351	0.2
201.12686	0.3
229.12209	0.6
243.16974	0.9
247.11841	0.5
259.10272	0.3
272.11115	0.3
289.06143	0.9
289.14078	1.1
289.17542	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	289.1432
Annotation	Chloranthalactone C
Peak:m/z	Relative Intensity
61.84461	3.7
68.60146	3.4
69.03468	3.4
70.17974	18.2
76.78915	3.1
95.05022	4.1
105.07012	4.7
107.08582	5.9
119.08607	5.7
129.07040	6.1
131.07669	3.4
131.08562	16.1
135.22632	3.0
139.62405	4.1
139.90463	4.1
141.06967	4.5
143.08563	14.8
145.10190	4.7
153.06992	4.3
155.08485	9.6
157.10153	14.6
159.08084	6.6
159.11618	5.4
168.09340	9.9
173.09627	4.0
183.11684	87.3
185.13274	5.5
187.07552	6.2
193.53683	4.2
201.12726	24.8
201.14310	4.0
203.10727	5.5
211.11118	20.0
227.10629	4.1
229.12236	100.0
230.12575	4.6
245.11717	4.3
247.13281	8.6
289.14337	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	289.1432
Annotation	Chloranthalactone C
Peak:m/z	Relative Intensity
50.06404	3.7
68.04987	4.0
69.97356	4.3
71.61154	8.9
79.05505	5.7
81.07047	13.7
87.86453	3.7
91.05474	15.1
93.07040	9.9
95.04993	6.2
105.07017	13.8
107.08582	10.6
117.07013	8.3
119.08574	12.3
121.06464	6.6
122.07110	4.4
128.06264	20.3
129.06992	14.5
131.08559	34.8
133.10135	6.5
136.96864	3.8
141.06952	23.9
142.07768	17.9
143.08588	26.9
145.10135	11.6
147.11682	5.1
153.07007	18.0
155.08537	39.0
157.10114	31.7
159.08067	15.3
159.11705	8.6
167.08521	8.8
168.09351	34.2
169.10080	4.1
173.05978	5.3
173.09644	6.1
173.13225	12.9
183.11687	100.0
184.12122	4.8
187.07513	14.9
201.12688	29.6
203.10661	6.3
211.11218	28.5
229.12233	82.2
240.42673	4.1
247.13345	7.6
289.14365	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	289.1431
Annotation	Hedyosumin D
Peak:m/z	Relative Intensity
53.03928	3.6
55.05508	3.4
56.01237	3.5
57.07085	3.1
61.62877	3.5
61.91626	3.3
63.56402	2.8
67.05497	4.2
71.50877	8.5
79.05480	8.3
81.07050	18.6
91.05486	20.3
93.07040	10.1
95.04977	5.4
97.02954	4.0
105.07024	17.3
107.08615	4.5
109.06509	4.1
115.05463	5.7
116.01151	3.0
117.07022	11.7
119.08585	8.4
119.96535	3.6
121.06487	5.9
127.19723	3.7
128.06224	16.1
129.06987	22.7
131.08543	41.3
133.06471	4.5
133.10118	4.8
135.11603	3.7
141.06973	23.4
142.07780	19.4
143.08534	33.8
144.09264	4.9
145.06506	5.8
145.10107	16.6
147.11618	6.0
149.06026	4.1
151.34128	3.5
153.07014	11.1
154.07756	4.7
155.08540	36.7
157.10086	26.1
159.08069	14.7
159.11707	7.6
161.05939	6.0
167.08562	6.4
168.09335	44.8
169.09941	4.8
171.08090	4.6
171.11771	3.9
173.05971	4.8
173.09674	3.7
173.13268	9.5
183.11671	100.0
185.09612	3.4
185.13194	5.0
185.95360	3.5
187.07515	16.4
190.79010	4.0
193.10158	5.2
196.08791	5.8
201.08957	4.2
201.12686	23.4
203.10699	4.2
211.11128	18.2
229.12206	69.1
247.13211	8.7
289.14325	5.6
289.21915	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.143
Annotation	Chloranthalactone C
Peak:m/z	Relative Intensity
64.60468	6.0
70.96082	7.7
70.96400	14.4
79.05486	9.8
81.07034	13.2
83.41868	6.2
90.83614	5.5
91.05466	22.7
93.07048	11.0
95.04950	9.2
105.07015	22.1
107.08581	9.6
109.06501	7.0
115.05463	7.7
116.13836	6.3
119.08556	16.2
127.68118	6.2
128.06157	18.6
129.06996	14.8
131.08530	26.0
133.10097	7.8
141.07007	17.4
142.07726	19.5
143.08539	34.0
145.06506	12.1
145.10086	10.0
153.06851	18.1
154.07764	8.6
155.08537	56.3
157.10124	33.4
159.08020	16.1
159.11700	9.6
167.08447	7.6
168.09343	45.6
173.06001	8.9
173.13226	13.7
175.07547	7.3
180.64677	6.2
183.11676	100.0
185.09694	8.3
185.13161	7.5
187.07449	8.2
191.54993	6.1
196.08815	6.5
201.12671	21.2
211.11162	23.4
229.12230	69.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0705
Annotation	phenoxy radical VI
Peak:m/z	Relative Intensity
53.03929	1.5
55.01854	2.3
55.05501	1.8
56.05013	0.9
56.96544	1.6
62.37145	0.7
65.03926	4.9
67.01852	0.9
67.05497	6.5
68.94213	0.7
68.99775	3.4
69.03411	2.5
69.07069	1.1
70.06591	6.3
71.04971	1.5
71.08601	2.5
72.08139	2.8
79.05483	2.9
81.03408	3.4
81.07036	3.3
83.04959	3.1
84.04501	1.7
84.08138	3.7
85.02888	3.1
86.09683	3.0
91.05466	4.2
93.03397	4.7
93.07042	2.0
95.01331	4.4
95.04961	5.2
95.06091	0.8
95.08588	0.9
96.67056	0.7
97.02863	1.8
98.97558	1.6
99.04466	1.0
103.05434	1.5
105.03375	0.9
105.07040	3.7
107.04932	2.5
107.08562	1.5
108.23213	0.7
109.02860	1.6
109.06515	1.3
110.07182	0.7
111.04431	10.8
111.05549	2.1
113.02350	1.1
113.34657	0.8
116.07069	0.9
116.98598	1.3
117.03400	1.1
117.06993	1.4
119.08579	1.9
121.02852	1.6
121.06499	1.2
123.04417	20.1
123.05433	1.6
127.03908	22.9
127.04850	1.3
127.07504	1.1
128.06200	1.9
129.06964	2.9
129.10262	0.7
130.08575	1.1
131.04909	3.2
131.08556	4.9
132.95834	0.9
133.10132	1.0
135.04404	26.2
137.02292	1.8
137.05937	1.2
139.03886	100.0
141.01869	1.0
141.06740	3.2
142.07759	2.4
143.08548	5.5
143.55884	0.8
145.06470	1.6
145.10109	2.0
147.11620	1.1
149.02283	1.2
149.05968	2.7
150.96895	1.0
151.03894	9.7
153.01796	1.2
153.06978	2.6
154.07744	0.8
155.08510	4.8
157.10080	4.4
159.04391	1.2
159.08025	2.9
159.11658	1.6
161.05975	0.8
163.03900	9.2
167.03381	2.6
167.08527	0.9
168.09358	5.2
169.06439	1.6
173.05959	2.0
173.13245	2.0
177.03992	0.9
177.05479	1.7
177.30026	0.8
179.03444	1.6
181.10034	1.5
181.44467	0.7
183.11668	13.7
185.09537	0.8
187.04076	0.9
187.07607	2.2
193.10178	1.5
197.05930	1.1
201.05464	1.5
201.12793	5.2
203.10657	0.9
211.11174	2.1
215.07065	1.1
221.12848	0.8
229.12198	13.5
239.13899	2.0
243.06386	1.6
247.05946	0.9
247.13304	1.2
261.07336	3.8
267.00244	0.9
271.06006	3.0
271.16553	3.2
289.06998	3.2
289.12253	11.6
289.17615	1.7
289.20663	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0685
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45307	4.1
53.03936	8.2
55.01864	8.9
55.05485	6.1
56.05018	7.4
56.96563	75.6
57.03423	10.0
60.04502	10.0
60.05626	13.7
65.03918	8.5
65.97260	4.5
67.05491	15.3
69.03430	25.1
69.07050	10.0
70.06590	96.0
70.95831	4.7
71.06910	8.9
71.07281	9.2
71.95251	4.4
72.08144	23.8
72.93776	11.7
73.02888	10.4
74.06059	10.6
74.33533	4.2
74.97591	12.5
75.27020	5.4
79.05479	19.3
80.05023	10.5
81.03403	21.0
81.06034	4.3
81.07047	16.4
82.04196	6.1
82.06560	15.0
83.04952	10.1
84.04488	15.9
84.08131	48.1
84.95988	6.9
85.02896	27.6
86.09715	23.6
87.04447	5.6
87.10013	5.4
88.42188	4.8
91.05474	29.6
93.03377	7.7
93.07022	12.7
95.01344	5.8
95.04951	13.0
95.06068	10.0
95.08585	8.6
97.02885	21.8
97.06543	6.0
98.97578	73.4
99.02554	5.0
99.04456	7.9
101.00860	10.4
105.07020	21.2
107.04948	14.5
107.08610	10.3
108.04467	26.6
109.02855	11.5
109.06496	7.7
109.10108	5.9
110.07158	17.9
110.97551	9.2
111.04406	13.2
112.08715	8.2
115.02399	5.8
115.03922	4.6
115.05393	6.5
116.07052	15.1
116.98624	58.0
117.06998	17.6
119.01893	47.2
119.04932	8.8
119.08562	11.2
121.06461	8.3
122.05967	6.7
123.04438	22.5
125.07104	53.0
126.05484	5.7
127.03889	35.5
128.06200	12.0
128.98624	22.9
129.06973	24.9
129.10208	13.9
130.08649	5.4
130.09709	4.2
131.00102	6.2
131.01924	11.7
131.08578	29.7
132.95865	6.6
133.03491	25.0
133.04955	11.2
134.99629	38.9
135.04391	47.2
137.02977	14.9
137.05945	13.0
139.03865	26.0
141.06961	20.6
142.07747	18.8
143.00107	7.6
143.01901	7.5
143.08519	35.8
144.84752	5.3
145.01633	6.4
145.03459	4.9
145.06453	12.9
145.10034	9.6
146.99677	26.8
147.04420	22.1
149.05989	5.4
150.99124	18.8
151.03851	4.9
153.06970	17.6
154.07764	6.2
155.08530	41.2
157.03404	4.9
157.10063	25.7
158.09254	13.9
158.99629	15.3
159.08029	13.9
159.11624	7.1
161.01218	13.0
161.02928	22.3
163.02702	8.7
163.03917	11.7
164.05365	5.0
168.09319	41.4
169.00151	13.2
173.02974	11.1
173.05914	6.4
173.13222	18.9
174.99121	8.5
175.04382	6.7
175.11900	21.2
177.00708	16.3
183.11696	100.0
184.04695	4.8
185.01239	6.1
185.09480	6.9
185.13231	8.0
187.00771	5.9
187.04494	11.9
187.07471	10.3
188.52849	4.5
189.00732	6.3
189.02493	9.5
191.03944	12.8
193.00214	15.6
193.10100	5.9
195.01604	6.3
198.01903	10.9
201.00731	5.8
201.12769	30.6
206.98198	7.7
208.05069	5.2
211.04585	11.7
211.11110	13.3
215.00354	5.9
217.05450	6.2
219.01721	18.4
219.03569	6.0
219.55746	5.4
228.04713	5.1
229.12201	74.5
237.02789	59.0
241.02115	6.2
243.03450	4.9
244.06194	6.2
247.13278	9.6
259.03461	11.9
267.00256	42.6
271.06171	6.0
272.13513	7.3
285.01288	32.9
289.03662	8.0
289.06339	26.5
289.11911	12.8
289.15433	15.8
289.20770	30.4
290.02069	7.2
307.07059	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	287.9799
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	9.7
55.01852	4.2
55.27197	2.6
55.93495	4.1
56.96555	6.2
57.03425	3.8
61.02932	4.2
68.94292	4.9
69.03424	8.7
69.42467	27.1
70.06584	8.9
70.95853	28.8
71.04996	3.0
72.93777	74.9
73.02911	5.0
81.03412	24.3
84.04501	3.9
84.08135	4.6
85.02921	13.8
86.03224	2.8
86.09720	4.8
88.96899	8.9
90.94819	54.6
97.02911	7.6
98.18156	2.6
98.20763	8.1
98.21442	5.4
98.97574	8.8
99.04458	5.9
106.97932	4.8
108.04448	5.4
108.95854	19.4
109.02871	10.8
109.96916	3.4
111.98497	3.8
112.08807	3.1
112.96852	4.1
113.96390	100.0
119.01813	2.8
126.05542	8.5
127.03922	5.5
128.02277	3.4
129.99539	6.2
130.97902	13.7
131.97423	97.3
132.95821	35.5
143.00180	3.2
148.98965	10.2
150.96881	73.8
154.99033	5.5
155.97514	5.1
156.95882	4.1
158.97408	15.0
160.95316	5.2
161.01184	5.1
162.05521	5.8
164.07111	2.9
172.00589	8.0
173.98466	10.2
174.96902	15.0
175.11911	5.3
176.98410	22.1
178.96381	9.5
180.06592	8.2
181.98994	37.5
183.96854	5.3
189.05779	2.7
191.03741	2.5
191.97214	2.5
192.06517	7.1
192.97981	14.3
197.98463	23.9
200.00002	21.4
201.97929	4.3
202.96449	15.8
206.08119	2.8
215.99567	8.6
220.97473	10.0
223.01579	5.2
225.97958	7.7
227.95908	8.1
234.07678	4.2
246.95471	8.7
264.96469	7.3
270.09705	32.2
288.10693	29.9
288.20383	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	289.0402
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34792	1.0
53.03944	1.8
55.01852	1.7
56.96544	4.5
57.03417	4.1
58.99848	1.1
60.05630	0.8
61.02900	3.3
67.05497	1.6
69.03423	9.8
69.49820	8.1
70.06584	8.4
71.04957	1.4
71.95202	1.0
72.08109	1.0
72.93748	1.5
73.02898	5.5
77.00887	3.2
79.05484	1.4
81.03393	4.5
81.07044	1.9
82.99845	2.4
83.04923	0.9
84.08133	2.1
85.02892	18.8
85.70934	1.1
86.03234	1.5
89.00880	1.1
90.94810	1.1
91.02410	1.0
91.05468	2.0
92.38419	0.9
93.06998	1.1
97.02891	8.1
98.97559	3.5
99.04409	3.0
101.00855	19.8
103.02412	2.0
105.07015	2.1
107.08554	1.6
109.02853	1.9
115.02428	10.8
116.07092	1.3
116.98598	2.9
117.07050	1.2
119.01902	100.0
119.08567	2.0
120.01990	1.9
121.01611	2.4
127.03913	14.1
127.04906	2.0
127.28024	0.9
128.04176	1.0
128.98595	1.2
129.03966	4.1
129.06943	1.5
129.46387	1.1
129.54990	0.9
131.01868	7.0
131.08525	3.5
132.95793	3.6
133.03459	30.9
134.03499	1.7
134.99623	2.1
135.04994	2.3
137.02934	34.2
138.03070	1.1
138.04060	1.5
138.98882	1.2
141.07036	1.6
142.03474	4.2
142.07767	1.7
143.01869	18.0
143.08574	1.5
144.95810	1.5
144.99809	3.5
145.01656	1.1
145.03458	5.4
145.04944	2.4
145.10133	1.2
146.99626	2.1
147.01392	1.5
147.05057	6.4
149.02901	2.9
150.96848	2.8
151.04520	7.4
153.06976	1.7
154.03352	1.1
155.01855	1.7
155.08549	3.2
156.04933	1.1
157.03448	3.6
157.10080	2.4
159.01357	1.0
159.07970	2.3
160.04539	1.4
161.02933	63.0
162.03078	1.7
163.04527	2.0
165.02399	1.4
167.81366	1.1
168.09335	2.8
168.99803	9.9
171.01332	8.7
173.02901	10.9
174.03127	1.0
174.96852	4.7
175.00893	1.9
175.04468	3.0
177.00684	1.3
177.02315	1.5
177.04187	1.0
179.03979	3.5
183.11649	8.5
184.02985	1.3
184.04536	3.3
185.02917	3.8
186.04716	1.8
186.96881	3.6
187.00847	18.3
187.04517	1.4
188.96960	2.2
189.00858	1.0
189.02422	18.8
191.03992	9.0
193.00180	2.1
193.03497	1.5
196.99287	3.2
197.02969	1.2
198.96951	1.4
199.00775	6.5
201.02414	3.2
201.12756	2.8
203.03996	1.8
204.97942	1.5
205.01901	6.6
206.98085	1.9
207.03444	5.1
210.02422	1.9
211.11060	1.7
212.03941	1.9
213.02457	1.8
215.00357	26.7
216.97850	1.8
217.01921	19.4
219.03462	4.0
221.05173	1.4
227.03983	2.2
229.01889	3.8
229.12206	7.7
231.03532	2.8
233.01407	3.5
234.98943	3.3
235.02953	1.7
238.01869	2.7
240.03572	1.6
245.05058	2.1
247.00723	1.8
247.02968	19.3
251.02367	1.6
259.02963	1.6
265.04007	5.8
270.04535	2.8
275.02432	3.0
277.00089	1.9
277.04071	1.0
289.03796	6.3
289.08755	4.4
289.15182	3.5
293.03256	1.4
295.01083	2.9
307.05017	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	287.9797
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71226	1.6
55.01868	1.7
55.05481	2.2
55.64729	1.6
55.93512	2.5
56.96547	2.9
57.03426	2.9
60.05637	18.6
68.94281	2.6
69.03402	4.8
69.07049	2.5
69.71865	3.8
69.72295	6.3
70.06583	100.0
70.95525	1.9
70.95859	21.3
72.08147	20.9
72.93780	67.6
73.02899	2.2
74.06079	1.9
79.05451	1.6
81.03408	3.9
82.06577	1.7
84.04479	3.5
84.08129	14.6
85.02909	8.2
85.08453	1.6
86.06074	1.6
86.09175	1.6
86.09695	33.2
88.96899	7.4
90.94813	41.3
91.05446	2.7
96.04469	2.8
97.02866	4.2
97.07584	2.1
98.06043	2.7
98.09669	3.7
98.32343	1.6
98.97594	1.5
106.97929	1.7
108.04483	3.0
108.95856	15.9
109.02865	2.1
109.96910	2.8
110.06014	2.1
110.07136	3.6
111.98451	5.9
112.03967	1.4
112.08708	11.9
112.96764	1.6
113.07137	1.7
113.96386	80.9
114.94813	1.5
115.08698	3.8
116.07063	13.5
116.98581	1.9
117.60610	1.4
119.01800	1.6
126.05494	16.0
127.03879	2.3
127.08656	1.7
127.97882	1.6
129.10213	4.2
129.99460	3.9
130.08627	5.3
130.09714	5.5
130.96707	1.8
130.97887	11.9
131.97420	77.2
132.95810	21.2
134.31447	1.4
138.05545	3.1
138.06598	2.5
142.09735	2.2
148.97749	3.3
148.98941	10.1
149.98453	2.4
150.96870	66.8
154.98988	4.5
155.97429	4.1
156.06528	2.9
156.07658	11.1
156.11293	3.5
156.95813	4.8
157.10780	1.8
158.09235	4.4
158.97359	13.8
160.95299	5.9
168.97932	3.9
172.00513	9.4
172.10797	4.7
173.98448	10.3
174.96866	12.0
175.11900	37.3
176.98439	23.1
178.96384	8.1
181.98972	27.9
183.96928	5.7
192.97914	17.0
197.98486	21.2
200.00046	19.4
200.04462	1.7
201.97893	3.6
202.96353	12.0
206.52654	1.7
209.94928	1.9
215.99570	7.8
220.97426	6.1
223.01695	2.5
225.97975	4.4
227.95845	4.7
228.17017	3.6
228.94260	2.0
229.15370	2.3
243.99023	4.5
245.97014	1.9
246.95343	6.1
253.16586	2.8
264.96378	5.9
269.96909	2.1
270.09692	3.8
271.17569	10.0
288.10730	6.4
288.20258	81.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.9799
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	9.7
55.01852	4.2
55.27197	2.6
55.93495	4.1
56.96555	6.2
57.03425	3.8
61.02932	4.2
68.94292	4.9
69.03424	8.7
69.42467	27.1
70.06584	8.9
70.95853	28.8
71.04996	3.0
72.93777	74.9
73.02911	5.0
81.03412	24.3
84.04501	3.9
84.08135	4.6
85.02921	13.8
86.03224	2.8
86.09720	4.8
88.96899	8.9
90.94819	54.6
97.02911	7.6
98.18156	2.6
98.20763	8.1
98.21442	5.4
98.97574	8.8
99.04458	5.9
106.97932	4.8
108.04448	5.4
108.95854	19.4
109.02871	10.8
109.96916	3.4
111.98497	3.8
112.08807	3.1
112.96852	4.1
113.96390	100.0
119.01813	2.8
126.05542	8.5
127.03922	5.5
128.02277	3.4
129.99539	6.2
130.97902	13.7
131.97423	97.3
132.95821	35.5
143.00180	3.2
148.98965	10.2
150.96881	73.8
154.99033	5.5
155.97514	5.1
156.95882	4.1
158.97408	15.0
160.95316	5.2
161.01184	5.1
162.05521	5.8
164.07111	2.9
172.00589	8.0
173.98466	10.2
174.96902	15.0
175.11911	5.3
176.98410	22.1
178.96381	9.5
180.06592	8.2
181.98994	37.5
183.96854	5.3
189.05779	2.7
191.03741	2.5
191.97214	2.5
192.06517	7.1
192.97981	14.3
197.98463	23.9
200.00002	21.4
201.97929	4.3
202.96449	15.8
206.08119	2.8
215.99567	8.6
220.97473	10.0
223.01579	5.2
225.97958	7.7
227.95908	8.1
234.07678	4.2
246.95471	8.7
264.96469	7.3
270.09705	32.2
288.10693	29.9
288.20383	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	287.2216
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.1
55.01851	2.7
55.05279	1.0
55.05508	11.2
56.05047	1.2
56.96553	1.4
57.03414	2.0
57.07062	1.8
67.01847	1.5
67.05502	31.0
68.99780	2.9
69.03413	1.7
69.07062	12.4
70.06575	2.2
71.04987	11.4
72.08148	1.9
74.06075	0.9
79.05491	14.6
80.84004	0.9
81.03400	2.5
81.07052	41.3
83.04968	3.1
83.08620	7.8
84.08136	2.1
85.02882	1.6
85.06534	3.7
86.09686	5.8
87.08104	1.5
91.05473	12.7
93.07047	16.4
95.04950	1.7
95.08600	34.6
97.02881	2.1
97.06535	6.4
97.10165	5.3
98.06063	1.4
98.09608	1.2
98.98446	1.5
99.04476	1.3
99.08064	1.5
100.12555	1.0
104.84693	1.0
105.07017	9.5
107.04962	0.9
107.08595	10.7
109.06493	3.0
109.10153	24.3
111.00848	1.1
111.08073	2.6
111.11707	1.2
115.03928	1.0
115.05411	1.1
117.07005	2.5
119.04802	1.0
119.08569	8.9
121.06496	2.6
121.10139	14.1
123.08057	2.0
123.11707	7.7
127.07543	1.4
129.07008	1.8
131.04947	1.0
131.08574	7.4
133.10126	10.6
135.04396	4.3
135.08054	3.3
135.11676	10.0
136.06116	2.2
137.02328	3.2
137.09613	4.2
137.13216	2.0
139.07455	1.0
141.07022	1.1
143.08582	1.9
145.06395	1.4
145.10120	6.0
147.04402	1.8
147.11703	3.2
149.09608	1.5
149.13263	5.3
151.11201	2.7
152.03438	1.0
153.01813	12.1
157.06500	1.7
157.10088	3.0
159.08026	1.2
159.11664	5.8
161.02415	1.5
161.06003	1.1
161.09608	1.8
161.13199	1.4
163.03941	1.6
167.10641	1.3
171.02959	1.6
171.04424	1.1
171.08047	1.1
171.11636	1.4
173.13293	3.6
175.03934	1.8
177.12762	1.8
183.02942	1.3
183.11696	1.3
187.14833	2.2
189.16338	1.0
191.17921	4.5
195.13806	2.1
201.16362	2.6
209.18973	3.0
213.05319	1.0
213.16426	1.5
215.17955	6.7
218.40709	0.9
233.18979	4.1
241.04869	1.9
251.20029	4.6
269.21024	1.4
280.11063	0.9
287.05493	100.0
287.12897	6.6
287.16360	1.7
287.20084	1.6
287.23648	4.7
288.05856	7.8
288.10010	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.2002
Annotation	6-Dehydrotestosterone
Peak:m/z	Relative Intensity
55.05499	1.9
57.03439	0.8
65.03903	0.6
67.01850	2.1
67.05230	0.4
67.05499	4.3
67.66666	0.4
68.99779	1.7
69.07061	1.4
70.06590	1.0
71.04979	0.5
71.70393	0.7
74.35176	0.4
79.05479	4.5
81.03432	0.6
81.07047	6.9
83.04980	0.5
83.08599	0.5
84.08128	0.9
89.03887	0.5
91.05467	5.2
93.07035	5.4
95.04960	1.0
95.08595	7.9
97.06535	0.8
97.10155	1.4
99.08077	0.4
105.07007	5.8
107.04987	0.5
107.08591	3.8
109.06444	0.5
109.10146	5.6
115.05455	0.6
117.03406	0.9
117.07023	3.0
117.23578	0.4
119.08581	4.8
121.06493	1.4
121.10110	2.2
123.11703	0.9
128.06174	1.0
129.06979	4.1
131.08533	5.6
133.06482	0.7
133.10098	3.7
135.04404	4.6
135.08017	1.4
135.11668	1.5
137.02304	1.5
137.09615	3.1
141.06927	2.2
142.07799	0.8
143.08542	5.5
144.09265	0.5
145.06462	1.0
145.10110	6.9
147.08011	1.8
147.11668	3.2
149.09613	1.3
151.11227	0.7
153.01808	12.9
155.08548	8.1
156.09308	0.6
157.06436	0.9
157.10118	5.1
159.08022	1.2
159.11679	7.5
159.19887	0.4
161.02324	1.3
161.09627	1.4
161.13246	2.0
163.11197	1.4
165.09108	0.6
167.08559	1.0
168.09283	0.6
169.10121	1.9
171.02876	1.4
171.08046	0.7
171.11700	3.6
173.09584	1.2
173.13278	2.7
175.11142	0.7
179.03374	0.7
180.09358	0.5
181.10100	1.6
183.11662	5.0
183.34840	0.5
185.06026	0.5
185.09598	0.6
185.13219	5.4
187.11218	1.2
189.12744	0.9
191.10596	1.2
194.10934	0.6
195.11601	2.4
197.13251	1.7
199.11186	1.0
199.14784	4.2
201.16354	1.0
204.07079	0.4
205.12288	1.5
208.12540	0.6
209.13214	1.8
211.14783	5.9
211.16592	0.5
212.15417	0.5
213.05382	0.7
213.12701	1.7
213.16289	2.7
217.12155	0.9
223.14767	1.1
225.16460	1.0
227.14349	0.5
227.17905	1.3
229.15851	1.5
231.13794	1.6
231.17441	1.7
239.17918	6.9
241.04921	1.4
241.15807	1.4
241.19456	10.7
243.17328	1.0
251.17888	3.4
257.18970	11.4
259.20630	3.1
269.04318	1.0
269.15997	0.7
269.18970	18.7
287.05460	100.0
287.20007	39.3
288.05811	7.6
288.20255	0.8
290.49966	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.185
Annotation	Unknow
Peak:m/z	Relative Intensity
54.25306	0.5
55.01864	19.6
55.05503	14.3
56.13029	0.6
57.03437	3.5
61.39299	0.7
67.05497	14.4
69.03400	1.4
69.07066	5.3
69.52354	0.7
69.54602	1.6
69.55009	5.8
71.04983	21.4
79.05487	9.8
81.03418	3.8
81.07050	14.4
83.04964	2.7
83.08611	7.9
84.08132	0.9
85.02890	0.7
85.06519	3.9
87.04445	6.9
90.21450	0.6
91.05464	4.9
93.07034	8.5
95.04956	1.5
95.08617	5.4
97.06519	100.0
97.10162	9.9
98.06858	1.5
105.07006	3.7
107.04945	1.0
107.08585	8.2
109.06499	1.6
109.10148	11.3
111.08072	1.6
115.05476	0.9
117.07002	3.2
119.08552	3.3
121.06462	1.7
121.10119	1.4
123.08034	1.0
125.09616	5.4
129.06995	0.8
131.08551	3.7
133.10106	3.7
135.04359	0.8
135.08041	2.6
135.11673	2.2
136.55423	0.7
137.02388	1.0
137.05923	0.7
145.10173	1.4
147.11700	1.3
149.09610	1.1
149.13240	3.4
153.01807	2.0
157.10063	0.8
159.11656	3.0
161.13257	0.8
177.12740	5.3
185.13356	0.7
189.11154	1.4
195.13788	37.9
196.14221	0.8
201.16362	1.0
213.14844	14.9
269.17456	7.5
287.05493	23.2
287.13266	1.4
287.18478	25.6
287.23590	1.5
288.05795	1.1
288.18872	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.185
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61843	0.5
53.03945	1.2
55.01866	18.9
55.05504	10.3
56.00084	0.4
56.96557	0.7
57.03429	3.2
57.74298	0.4
65.03915	0.5
67.01842	0.7
67.05495	16.0
68.99774	0.5
69.03422	1.5
69.07062	4.5
69.60690	4.4
70.06571	0.6
71.01353	1.0
71.04610	0.8
71.04986	14.9
75.04462	0.5
79.05487	10.4
81.03411	2.4
81.07043	11.6
83.04960	1.5
83.08606	4.0
83.59145	0.5
84.04498	0.6
84.08133	0.6
85.06523	2.7
87.04462	6.4
89.03899	0.6
91.05465	4.7
93.07038	9.8
95.04961	1.7
95.08595	5.6
97.02881	1.2
97.06519	100.0
97.10154	5.0
98.06853	1.3
103.05441	0.6
105.07015	4.5
107.04969	1.0
107.08575	6.8
109.06508	1.5
109.10143	11.1
111.00813	0.5
111.08084	2.0
113.06014	0.6
117.03352	0.6
117.07023	3.4
119.04890	0.6
119.08563	2.1
121.02852	1.0
121.06499	1.6
121.10133	2.9
123.11670	1.0
125.09592	2.6
129.06993	0.7
131.04916	0.9
131.08563	3.7
133.10133	3.8
135.04384	2.1
135.08031	2.5
135.11668	1.5
137.02351	0.9
137.09558	0.6
143.08551	0.7
145.10100	1.2
147.04404	2.2
147.11678	0.9
148.54091	0.6
149.09558	1.0
149.13197	2.6
153.01796	4.0
159.11723	2.7
161.05998	0.9
161.13206	0.5
163.03931	0.6
164.07109	0.7
167.14316	1.1
169.10144	0.7
171.02835	0.8
171.11641	0.9
175.03864	2.4
177.12723	3.5
181.07602	0.5
189.05400	0.7
189.11244	1.4
195.13782	35.9
196.14101	0.9
197.07092	0.5
213.14799	7.9
213.16473	0.7
227.08153	1.3
241.04820	0.9
269.09134	1.6
269.11868	0.7
269.17429	5.2
287.05472	43.4
287.13324	3.6
287.18478	22.1
287.23721	2.2
288.05832	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1638
Annotation	Blandachromene II
Peak:m/z	Relative Intensity
53.03933	0.6
55.01862	0.8
55.05514	0.3
56.94899	0.2
57.07074	0.4
60.53944	0.2
65.03931	0.3
67.05496	0.8
69.03430	0.3
69.07053	0.7
71.75723	0.3
79.05466	1.7
81.03400	1.0
81.07042	4.2
83.01326	0.9
90.24002	0.2
90.26228	0.2
91.05466	2.4
93.07022	1.0
95.04957	0.8
95.08597	0.9
103.05450	0.2
105.07032	0.7
107.04942	0.3
107.08569	1.0
109.02865	1.8
109.06506	6.6
109.10155	2.4
119.04909	0.9
119.08601	0.4
120.17245	0.2
121.10130	0.4
123.11692	11.3
127.03901	2.8
131.08592	0.3
133.10149	0.3
135.11670	1.7
137.05959	8.5
137.07011	0.5
138.06299	0.3
147.04390	0.5
147.08002	0.2
147.11749	0.3
149.13295	0.3
151.07501	0.6
153.05461	1.6
163.07509	0.8
165.05457	100.0
166.05817	2.2
167.07079	0.7
177.05420	0.6
179.07040	1.3
183.06537	0.3
185.77316	0.3
191.06996	0.3
203.07076	0.3
205.08620	0.4
213.08899	0.2
231.10202	0.5
269.15305	0.7
287.05505	1.7
287.16370	23.3
288.16718	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1639
Annotation	Blandachromene II
Peak:m/z	Relative Intensity
50.09470	0.2
51.02405	0.2
53.03933	0.5
55.01863	1.1
55.05489	0.4
57.07077	0.4
63.32203	0.2
64.24254	0.2
65.03941	0.5
65.87885	0.2
67.05495	0.9
69.03427	0.4
69.07057	0.8
70.51147	0.8
79.05492	1.8
80.12396	0.2
81.03419	1.3
81.07051	5.2
83.01334	0.7
83.04964	0.3
85.02869	0.2
90.91521	0.2
91.05463	2.1
93.07018	0.8
95.04948	0.5
95.08600	1.1
98.21457	0.2
105.07030	0.6
107.08589	1.0
107.46304	0.2
108.04804	0.2
109.02869	1.6
109.06510	7.0
109.10155	2.0
117.07037	0.2
119.04903	0.9
119.08591	0.3
121.06453	0.2
121.10136	0.5
123.04408	0.2
123.11695	10.6
124.12019	0.3
125.09673	0.2
127.03909	2.9
131.08557	0.2
133.06499	0.2
133.10127	0.3
135.08060	0.2
135.11665	1.5
137.05971	9.1
137.07019	0.4
139.03880	0.3
142.52690	0.2
147.04358	0.5
147.11679	0.3
151.07521	0.6
153.01846	0.3
153.05481	2.1
159.11661	0.2
161.09558	0.2
163.07536	0.7
165.05464	100.0
166.05789	2.1
167.07053	0.6
177.05392	0.2
179.07025	1.1
183.06474	0.3
191.07027	0.5
203.06915	0.3
205.08679	0.5
207.10265	0.2
231.10161	0.5
269.15359	0.6
287.05563	2.5
287.16400	24.8
288.16711	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0545
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	0.1
51.52917	0.1
58.60521	0.2
58.99579	0.2
67.01860	1.9
68.99778	1.4
69.03404	0.2
70.06566	0.4
71.01212	0.3
72.08135	0.2
79.05470	0.5
81.03401	0.4
81.07044	0.5
84.04479	0.2
84.08137	0.3
86.09707	0.3
86.99047	0.2
89.03896	0.8
93.07031	0.2
95.04992	0.1
98.09616	0.1
98.98383	0.1
100.95021	0.1
102.85738	0.1
107.04938	0.4
107.08593	0.2
111.00794	0.3
111.04420	0.2
112.11230	0.2
116.01665	0.6
116.07043	0.2
117.03387	0.9
119.08555	0.1
123.54084	0.1
129.01848	0.3
129.06990	0.2
129.10172	0.2
133.10057	0.2
135.04401	4.8
137.02322	1.5
144.01062	0.2
147.04428	0.1
149.45470	0.1
149.60910	0.1
151.03864	0.2
153.01811	11.9
154.02165	0.2
157.06462	0.2
161.02348	1.3
162.02199	0.4
171.02875	1.6
171.04321	0.2
177.46416	0.1
179.03363	0.5
184.13376	0.1
185.05960	0.6
195.04381	0.2
199.03827	0.2
203.03400	0.2
213.05400	0.7
241.04933	1.6
241.08626	0.2
255.10063	0.2
269.04413	1.0
277.87885	0.2
287.05463	100.0
288.05783	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0548
Annotation	Luteolin
Peak:m/z	Relative Intensity
50.14427	0.2
51.12895	0.2
54.71331	0.2
55.01879	0.2
55.05499	0.4
56.05024	0.2
56.96535	0.2
60.06723	0.2
63.00018	0.5
67.01859	1.8
67.05476	0.5
68.99782	1.7
69.03423	0.3
69.07044	0.2
70.06577	0.9
71.04965	0.4
72.08144	0.7
79.05479	0.6
81.03382	0.3
81.07035	0.6
84.04505	0.3
84.08145	1.1
86.09701	1.2
89.03910	0.7
91.05494	1.3
93.07031	0.3
95.08588	0.5
97.06511	0.4
98.97533	0.3
98.98458	0.5
105.07038	0.4
107.04939	0.6
107.08579	0.3
109.02845	0.2
109.06503	0.3
109.10133	0.2
110.07116	0.3
111.00752	0.2
111.04426	0.3
117.03349	0.7
117.07011	0.3
120.08092	0.4
129.01833	0.3
129.06996	0.3
129.10190	0.3
131.04875	0.2
135.04393	4.6
135.11646	0.2
137.02306	1.4
137.05980	0.4
139.05412	0.2
143.08575	0.3
145.06445	0.2
145.10072	0.3
145.66444	0.2
147.11655	0.3
149.05902	0.2
153.01811	10.5
160.97731	0.2
161.02357	1.5
161.05981	0.2
167.08597	0.3
171.02844	1.6
177.00807	0.2
179.03400	0.6
181.06503	0.2
185.05951	0.4
195.08128	0.4
201.68939	0.2
203.03447	0.3
203.50169	0.2
213.05460	0.8
215.47119	0.2
223.07487	0.3
224.08250	0.2
227.10568	0.4
241.04926	1.7
241.08594	0.2
255.10152	0.4
258.05057	0.3
269.04404	0.8
269.15454	0.4
287.05466	100.0
288.05765	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1638
Annotation	Blandachromene II
Peak:m/z	Relative Intensity
53.03939	0.5
55.01856	0.8
55.05496	0.4
57.07071	0.4
59.23850	0.3
63.00028	0.3
65.03935	0.4
67.05498	1.2
69.03407	0.9
69.07070	0.5
71.38398	0.7
79.05480	1.7
81.03403	1.1
81.07051	4.7
83.01324	0.8
83.04971	0.5
88.60636	0.3
91.05468	2.2
93.07038	1.1
95.04973	0.5
95.08595	0.9
105.07037	0.6
107.08590	1.7
109.02876	1.1
109.06511	6.3
109.10129	1.7
119.04930	1.1
119.08587	0.5
121.06554	0.4
121.10178	0.6
123.04456	0.4
123.11694	10.8
124.12002	0.3
125.05914	0.3
127.03889	2.4
133.10114	0.6
135.08064	0.4
135.11688	2.1
137.05963	7.8
138.28555	0.3
145.10001	0.4
147.04387	0.7
147.11636	0.3
151.07547	0.4
153.05467	2.1
163.07530	1.1
163.67142	0.3
165.05461	100.0
166.05779	2.2
167.07036	0.7
175.07497	0.4
177.05518	0.6
179.07013	3.6
183.06448	0.5
189.05453	0.5
191.07039	0.8
193.08539	0.4
203.07002	1.1
205.08600	1.2
207.10133	0.6
231.10155	2.6
269.15323	1.0
270.61450	0.4
273.81577	0.3
287.05536	4.8
287.16388	19.3
287.30310	0.5
288.16714	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0542
Annotation	Luteolin
Peak:m/z	Relative Intensity
50.68857	0.1
52.16662	0.1
55.01864	0.3
55.05501	0.2
57.03422	0.1
63.02360	0.1
65.03918	0.1
67.01858	1.8
67.05489	0.3
68.99784	1.5
69.03419	0.2
69.07060	0.1
71.04973	0.2
72.08134	0.2
74.06042	0.1
77.12981	0.1
77.95326	0.1
79.05490	0.6
81.03412	0.2
81.07048	0.3
83.01327	0.1
83.04971	0.1
83.08610	0.1
84.08121	0.2
85.02897	0.1
89.03918	0.8
91.05464	0.2
93.07039	0.2
95.04962	0.1
95.08615	0.2
97.02892	0.2
97.06503	0.5
97.73459	0.1
99.65160	0.1
103.05419	0.1
105.06986	0.1
107.04942	0.4
107.08567	0.2
109.02880	0.1
109.10114	0.1
111.00781	0.2
111.04433	0.2
115.05470	0.2
117.03362	0.8
117.06974	0.1
119.04928	0.1
119.08570	0.2
121.02848	0.2
125.02341	0.1
127.03879	0.1
129.01859	0.4
129.07014	0.1
131.04895	0.1
131.08577	0.1
133.10109	0.1
135.04401	4.9
135.11775	0.1
136.04782	0.1
137.02342	1.4
137.03372	0.2
137.05939	0.1
139.05434	0.2
143.04877	0.1
143.08510	0.1
145.10185	0.1
147.04378	0.3
153.01811	11.9
154.02094	0.1
157.06476	0.3
161.02313	1.6
167.04973	0.1
171.02913	1.4
171.04407	0.2
171.07971	0.1
173.05882	0.1
175.03882	0.1
179.03365	0.7
185.05896	0.4
189.05464	0.1
195.04401	0.2
195.13757	0.2
199.03873	0.1
203.03351	0.3
213.05441	0.6
213.14819	0.1
218.05690	0.1
219.06543	0.2
223.04007	0.1
227.03242	0.1
231.06540	0.2
241.04913	1.6
241.12140	0.1
245.04329	0.1
255.06606	0.1
258.05182	0.1
259.05945	0.3
263.05527	0.2
269.04379	1.0
269.08951	0.1
269.12503	0.1
287.05463	100.0
288.05792	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.054
Annotation	Fisetin
Peak:m/z	Relative Intensity
55.01854	0.4
55.05495	0.1
57.03413	0.2
60.04512	0.2
61.60647	0.1
63.00036	0.2
65.03934	0.2
67.05487	0.2
68.99781	1.1
69.03394	0.1
69.51323	0.8
69.51736	0.3
70.06590	1.3
72.08144	0.5
73.08447	0.1
74.06059	0.3
75.90667	0.1
79.01844	0.2
79.05467	0.2
80.82169	0.1
81.03403	0.9
81.07034	0.2
83.04965	0.2
84.04497	0.3
84.08129	0.7
85.02896	0.2
86.09686	0.5
91.05455	0.5
93.03387	0.3
93.07024	0.2
95.04945	0.3
97.06528	0.2
98.06067	0.1
98.20771	0.3
98.97556	0.2
98.98450	0.2
103.05439	0.2
105.03368	0.1
105.07008	0.3
107.04934	0.3
109.02860	0.6
109.10120	0.2
111.00793	0.3
112.02180	0.2
112.11223	0.1
115.05439	0.9
116.07061	0.3
117.06973	0.1
118.06633	0.1
119.04930	0.2
119.08589	0.2
120.23792	0.1
121.02853	1.5
121.06528	0.2
123.04414	0.6
124.07590	0.2
125.55865	0.1
127.03902	0.4
128.06209	0.4
129.07022	0.8
129.10225	0.3
130.04982	0.2
133.06490	0.2
135.07979	0.2
137.02339	5.9
137.03400	0.6
137.06006	0.1
139.05409	0.6
140.01656	0.2
141.06967	0.5
143.04907	0.6
145.06441	0.4
147.04391	0.5
149.02315	1.1
150.03105	0.3
151.03908	0.2
153.01819	0.3
156.08064	0.5
157.06456	1.5
160.05154	0.2
161.05975	0.8
163.03868	0.3
165.01735	0.6
167.03442	0.1
167.04988	0.2
171.04419	0.8
173.06007	0.2
174.96848	0.3
175.03902	0.5
175.07628	0.3
177.01839	0.4
177.05431	0.2
181.08441	0.2
183.02875	0.1
184.05164	0.3
185.05951	1.7
185.07402	0.2
189.05470	0.9
193.04987	0.2
195.04301	0.3
197.05928	0.2
199.03885	0.4
203.03372	0.3
203.07010	0.4
212.04837	0.1
213.05444	4.9
216.04156	0.5
217.04903	0.3
231.06488	1.6
233.11760	0.2
236.56564	0.2
241.04906	2.3
242.05719	0.5
258.05246	0.4
259.05914	0.6
269.04337	1.0
287.05463	100.0
288.05807	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.052
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	3.4
55.01862	9.0
56.96554	35.5
57.03429	22.7
58.99847	3.6
59.04987	6.3
61.02919	20.9
68.99748	3.6
69.03423	58.6
70.06574	19.1
70.95845	3.3
71.01671	4.6
71.02004	3.9
71.04945	3.9
72.08141	5.7
72.93784	21.9
73.02908	32.0
74.97569	4.0
81.03405	15.0
84.08121	3.8
84.96048	14.2
85.02898	100.0
86.03230	4.0
87.04424	5.7
89.00757	4.5
90.94796	12.2
91.03946	6.5
92.01257	5.1
94.06545	3.5
96.18314	2.8
97.02875	47.5
97.47975	2.9
98.01270	6.4
98.97572	63.1
99.04440	10.3
101.00800	5.1
101.02354	3.9
102.97065	3.6
103.02453	5.3
107.01743	4.0
108.95889	3.5
109.02850	9.6
110.01289	17.2
110.07139	9.6
110.97548	12.2
112.07571	6.5
112.96698	5.1
113.00858	8.3
113.07940	3.5
113.96396	30.0
114.05566	3.3
116.97263	2.7
116.98605	37.5
117.02037	4.9
117.03958	6.2
119.01842	45.3
122.01279	3.4
124.99078	8.9
127.03919	35.3
128.02304	32.3
128.98570	15.8
129.03976	4.0
130.52467	3.9
130.97873	6.9
131.01889	94.3
131.97426	21.2
132.01958	3.7
132.95825	10.4
134.99648	15.8
135.05023	7.2
137.02850	16.8
137.07086	12.0
138.00726	7.4
140.02290	7.6
140.07060	5.3
140.98598	5.9
143.00168	25.8
143.01831	8.7
144.98093	5.8
145.03433	37.0
145.04900	11.5
146.02324	3.7
146.99640	11.1
147.01312	4.0
147.05006	5.1
149.02913	27.4
150.96873	20.1
152.02275	7.5
153.01260	6.4
155.08125	6.8
156.07639	3.9
157.03438	6.9
158.97430	5.8
158.99669	15.9
161.01184	36.9
161.02876	18.4
162.01727	6.6
162.99048	6.6
163.04524	23.1
165.01270	5.0
170.01535	5.2
170.03290	3.9
170.99632	5.3
171.04984	29.0
173.02789	3.4
174.01770	29.0
174.51985	3.1
174.96849	3.3
175.02943	3.9
176.01547	7.0
176.98412	6.3
177.00693	20.4
177.96524	3.3
178.96384	3.8
179.02287	8.5
181.03450	14.4
181.98969	9.5
183.02336	20.0
185.09189	8.4
186.09567	18.5
186.99104	5.3
189.00699	13.9
189.02368	12.9
189.06064	13.1
191.03949	20.6
192.97891	6.2
194.53166	4.8
197.01962	28.9
197.52164	3.8
197.98474	6.6
198.02754	4.4
199.04494	37.1
199.06158	5.6
200.00044	4.9
200.04404	28.3
201.00635	6.9
201.02393	4.3
203.02286	9.3
205.00159	18.9
206.02594	43.3
207.03496	3.9
209.04889	7.3
217.53226	3.8
219.01810	8.9
221.05289	3.2
222.06126	3.5
223.01247	13.8
225.02472	9.6
226.53941	2.9
229.00229	3.8
237.02838	9.5
238.28008	2.7
243.03525	6.4
247.01306	4.9
248.99130	11.3
251.02405	3.8
267.00250	11.0
287.02414	3.6
287.05392	3.8
287.14282	6.3
291.00229	26.7
309.01212	21.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	286.2373
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	4.2
57.07067	29.7
64.67534	1.7
65.79462	1.4
66.30050	1.4
67.05481	6.9
68.01018	1.6
69.07041	6.9
71.08624	23.0
71.42771	2.2
71.43115	3.5
76.03996	100.0
81.07055	11.6
83.08582	3.1
85.10159	9.9
86.06032	1.7
90.66944	1.4
95.08607	15.1
96.75178	1.5
97.10140	3.7
109.10159	9.3
123.11656	2.4
182.05278	2.5
211.20561	7.9
286.11359	2.4
286.28049	2.1
286.30869	9.9
287.05426	6.4
296.29840	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.052
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	3.4
55.01862	9.0
56.96554	35.5
57.03429	22.7
58.99847	3.6
59.04987	6.3
61.02919	20.9
68.99748	3.6
69.03423	58.6
70.06574	19.1
70.95845	3.3
71.01671	4.6
71.02004	3.9
71.04945	3.9
72.08141	5.7
72.93784	21.9
73.02908	32.0
74.97569	4.0
81.03405	15.0
84.08121	3.8
84.96048	14.2
85.02898	100.0
86.03230	4.0
87.04424	5.7
89.00757	4.5
90.94796	12.2
91.03946	6.5
92.01257	5.1
94.06545	3.5
96.18314	2.8
97.02875	47.5
97.47975	2.9
98.01270	6.4
98.97572	63.1
99.04440	10.3
101.00800	5.1
101.02354	3.9
102.97065	3.6
103.02453	5.3
107.01743	4.0
108.95889	3.5
109.02850	9.6
110.01289	17.2
110.07139	9.6
110.97548	12.2
112.07571	6.5
112.96698	5.1
113.00858	8.3
113.07940	3.5
113.96396	30.0
114.05566	3.3
116.97263	2.7
116.98605	37.5
117.02037	4.9
117.03958	6.2
119.01842	45.3
122.01279	3.4
124.99078	8.9
127.03919	35.3
128.02304	32.3
128.98570	15.8
129.03976	4.0
130.52467	3.9
130.97873	6.9
131.01889	94.3
131.97426	21.2
132.01958	3.7
132.95825	10.4
134.99648	15.8
135.05023	7.2
137.02850	16.8
137.07086	12.0
138.00726	7.4
140.02290	7.6
140.07060	5.3
140.98598	5.9
143.00168	25.8
143.01831	8.7
144.98093	5.8
145.03433	37.0
145.04900	11.5
146.02324	3.7
146.99640	11.1
147.01312	4.0
147.05006	5.1
149.02913	27.4
150.96873	20.1
152.02275	7.5
153.01260	6.4
155.08125	6.8
156.07639	3.9
157.03438	6.9
158.97430	5.8
158.99669	15.9
161.01184	36.9
161.02876	18.4
162.01727	6.6
162.99048	6.6
163.04524	23.1
165.01270	5.0
170.01535	5.2
170.03290	3.9
170.99632	5.3
171.04984	29.0
173.02789	3.4
174.01770	29.0
174.51985	3.1
174.96849	3.3
175.02943	3.9
176.01547	7.0
176.98412	6.3
177.00693	20.4
177.96524	3.3
178.96384	3.8
179.02287	8.5
181.03450	14.4
181.98969	9.5
183.02336	20.0
185.09189	8.4
186.09567	18.5
186.99104	5.3
189.00699	13.9
189.02368	12.9
189.06064	13.1
191.03949	20.6
192.97891	6.2
194.53166	4.8
197.01962	28.9
197.52164	3.8
197.98474	6.6
198.02754	4.4
199.04494	37.1
199.06158	5.6
200.00044	4.9
200.04404	28.3
201.00635	6.9
201.02393	4.3
203.02286	9.3
205.00159	18.9
206.02594	43.3
207.03496	3.9
209.04889	7.3
217.53226	3.8
219.01810	8.9
221.05289	3.2
222.06126	3.5
223.01247	13.8
225.02472	9.6
226.53941	2.9
229.00229	3.8
237.02838	9.5
238.28008	2.7
243.03525	6.4
247.01306	4.9
248.99130	11.3
251.02405	3.8
267.00250	11.0
287.02414	3.6
287.05392	3.8
287.14282	6.3
291.00229	26.7
309.01212	21.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	286.1284
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	2.3
53.14187	2.7
55.05485	3.0
56.03080	2.0
56.05033	2.6
57.03434	2.4
57.26913	2.1
61.02908	2.4
63.00018	2.5
65.48057	1.9
67.05527	3.8
69.03410	4.0
69.07051	5.0
70.06590	22.8
71.71767	3.6
72.08150	7.1
78.65627	2.2
79.05489	2.9
81.03421	3.6
81.07067	2.3
83.06128	2.7
84.08136	7.2
85.02909	9.3
85.04025	6.2
85.36302	2.3
86.09708	14.8
91.05493	7.1
95.01337	2.5
96.08129	3.2
106.06547	100.0
107.06888	3.2
110.07162	2.7
113.10768	6.9
116.07098	21.8
118.06537	18.6
120.08089	3.1
124.07573	4.0
129.07030	3.4
130.06517	5.3
132.08147	2.5
134.99734	2.2
138.09097	4.1
141.10237	17.2
142.06462	4.4
148.07567	5.9
151.03987	2.6
156.08052	7.3
169.09845	3.2
173.09274	12.3
181.05014	4.7
182.05467	3.0
194.71307	2.3
208.07555	5.2
210.09210	2.4
211.10736	23.2
226.08723	3.3
268.11847	6.4
285.03723	2.4
286.11072	9.8
287.05469	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	286.1395
Annotation	Unknow
Peak:m/z	Relative Intensity
54.57114	0.4
56.05031	0.7
56.96559	1.3
60.04499	0.5
67.05533	0.4
69.03423	0.7
70.06584	100.0
71.06922	0.9
71.48223	0.7
72.08145	1.3
73.02917	0.4
74.00658	0.5
78.06902	0.4
84.04500	1.9
84.08145	2.7
85.02891	1.0
86.06084	0.6
86.09682	0.9
92.72462	0.4
95.06063	0.6
97.02848	0.6
98.97563	0.5
101.07142	1.0
109.05112	0.7
110.07145	3.4
112.07592	91.2
113.07935	0.7
114.01824	0.4
114.05474	0.7
116.07124	0.8
119.01831	0.4
124.03941	0.8
124.07521	0.6
126.07769	2.2
127.06081	0.5
129.06575	1.2
129.10228	1.0
130.04987	1.1
136.06169	1.2
137.04590	2.8
138.07780	0.9
140.07047	49.4
147.04396	0.5
147.07597	1.0
153.04051	0.9
154.04401	0.9
154.06007	0.8
154.07224	8.4
155.01216	0.5
155.39778	0.5
156.07634	1.0
157.09705	4.5
159.93958	0.5
163.12228	0.9
177.00607	0.5
185.09224	3.0
236.60504	0.5
240.13425	0.6
248.73396	0.4
286.11377	2.4
286.14359	2.5
286.17606	1.1
287.10834	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	286.1759
Annotation	Unknow
Peak:m/z	Relative Intensity
53.64236	0.5
55.05507	1.3
55.91553	0.5
56.05032	0.8
57.03434	0.9
58.21512	0.5
59.04993	1.9
61.02922	4.8
68.05019	1.0
70.06581	1.5
70.93402	0.8
70.93723	0.5
71.04987	5.6
76.94769	0.4
79.05492	2.7
80.04999	0.5
81.04543	0.7
81.07048	11.1
82.05315	1.6
83.06099	12.2
87.08098	1.6
93.04520	6.8
95.06088	14.5
98.21097	0.9
101.34279	0.5
107.06080	2.6
110.07155	100.0
111.05571	1.7
111.07480	1.3
111.46006	0.5
112.08727	3.0
112.15548	0.4
119.06058	0.9
120.06834	0.8
121.07615	1.9
145.34485	0.5
146.09695	0.8
153.04088	0.8
154.07262	1.1
156.07680	12.7
163.12294	48.6
164.12675	1.0
166.06067	2.0
182.48552	0.6
190.13393	7.3
193.13254	1.3
208.14415	12.5
212.15186	0.7
218.53268	0.5
219.11314	1.9
236.13911	6.3
240.17044	8.1
241.15416	0.7
242.18640	0.6
254.14981	18.8
256.97742	0.5
286.17590	48.6
287.05362	0.9
287.17920	1.6
299.97287	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	286.1218
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	2.5
55.05500	4.8
56.05033	10.3
56.96552	1.3
58.99567	4.7
67.05500	2.0
68.05015	1.6
69.03412	1.1
69.07039	1.3
70.02935	1.6
70.06581	2.8
70.70379	3.2
72.08155	1.6
76.04002	2.0
79.05469	4.0
80.04997	1.1
81.07044	6.5
82.07379	1.8
83.08582	1.0
84.04491	3.2
84.08118	2.3
85.01125	5.5
86.00643	10.2
86.99033	1.9
87.02671	3.7
89.04254	1.2
91.05447	2.5
93.07025	2.6
94.06519	1.5
95.06084	1.3
95.08601	2.4
96.08106	2.4
96.08903	1.0
97.01083	1.4
97.06525	1.2
98.09686	19.8
98.21404	1.1
102.05528	5.9
105.06998	2.5
107.08558	4.0
108.08123	0.9
108.08913	1.0
109.06459	0.9
110.09658	3.9
112.03933	2.6
113.04215	10.2
114.03695	1.0
115.05798	1.4
116.01669	7.5
119.08535	1.9
121.10118	1.0
122.09629	2.9
122.10455	1.1
129.07286	3.3
130.04976	3.0
130.06813	2.8
130.08569	1.5
132.08923	1.5
134.10469	1.6
139.05717	1.3
143.02739	4.6
146.10449	1.3
148.12010	1.3
149.13147	1.0
156.08403	18.7
156.10175	17.2
158.05934	1.1
158.10487	1.1
162.02136	2.7
172.07507	1.5
181.04906	1.5
182.87065	1.0
183.09500	11.3
189.03261	2.7
200.07048	1.8
205.12379	1.3
216.06902	3.7
222.12393	1.0
254.08922	2.4
259.11102	100.0
260.11331	2.3
286.11411	3.7
286.17984	3.4
286.22470	2.8
287.05472	9.9
287.23560	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	286.1217
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01847	2.0
55.05507	7.8
56.05027	6.6
58.99576	20.8
61.01146	2.8
67.05490	3.2
68.05009	1.9
69.07059	1.2
69.57533	1.5
69.57940	4.3
70.02935	0.9
70.06561	1.5
72.08092	0.7
73.01134	0.7
74.00640	1.4
75.01443	0.7
76.02206	1.3
76.03993	4.4
79.05452	2.0
80.04977	0.8
81.07051	2.9
82.06572	1.0
84.04489	4.4
84.08128	1.3
85.01118	4.1
86.00639	18.5
87.02682	4.9
88.02171	2.2
89.04249	8.3
91.05442	1.2
95.06083	6.4
95.08585	1.0
96.08095	1.3
97.01094	0.9
98.09692	12.3
98.20721	1.2
101.03583	0.8
101.04236	10.7
102.05533	7.1
105.07032	1.3
108.08128	0.9
110.09663	2.4
112.03961	5.3
113.01700	3.2
113.04227	8.9
114.03750	0.7
115.05779	1.3
116.01657	4.2
122.09645	2.0
124.02225	0.7
127.05717	1.2
128.06068	0.6
129.07332	29.7
130.04980	2.9
130.06851	4.8
130.07649	0.9
130.08612	1.8
143.02742	2.6
144.01100	0.7
145.06018	0.8
156.08392	33.9
156.10176	11.2
157.08743	0.7
162.02200	2.0
183.09496	86.9
184.09798	1.9
189.03282	2.2
193.22493	0.6
194.06773	0.6
211.07092	0.8
216.06857	7.5
222.06392	1.4
226.09398	2.2
242.08458	0.8
254.08922	4.2
259.11099	100.0
260.11423	3.2
261.45175	0.6
271.24323	0.6
286.11859	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	286.1217
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69084	0.4
53.03933	0.6
54.04378	0.4
55.01854	1.3
55.05505	5.5
56.04798	0.6
56.05028	7.5
58.99579	9.2
61.01120	1.2
67.04239	0.4
67.05485	0.8
68.05022	1.9
69.07050	0.5
70.02934	1.0
70.06561	1.0
70.10600	2.2
70.99570	0.8
73.01094	0.6
74.00631	1.4
74.02422	0.9
76.02202	1.2
76.03985	3.3
79.05491	2.6
80.04977	1.2
81.07048	3.1
82.06553	0.7
83.08578	0.7
84.04500	2.5
84.08115	1.2
85.01118	5.5
86.00641	16.5
86.99029	1.5
87.02686	3.1
87.87833	0.5
88.02198	1.7
89.04243	5.9
91.05460	1.2
93.07018	0.9
94.06547	1.1
95.06071	4.0
95.08603	0.9
96.08116	1.2
97.01115	1.0
98.09676	16.5
100.37178	0.4
101.04220	3.7
102.05528	4.4
105.07050	0.7
108.08092	0.8
110.07163	0.4
110.09674	3.3
112.03931	3.0
113.01680	2.5
113.04212	9.6
114.03739	1.1
116.01658	6.8
122.09657	2.2
127.05801	0.7
129.07330	8.7
130.04979	2.0
130.06833	3.5
130.08618	1.4
139.05740	1.3
143.02734	3.4
144.01117	1.4
145.06044	1.6
146.01984	0.4
150.74072	0.5
156.08398	29.1
156.10165	15.4
162.02173	1.8
165.07008	0.7
166.07307	0.9
183.09494	41.2
184.09761	1.1
189.03244	3.2
194.06873	0.7
211.07097	1.0
216.06903	4.1
222.06329	1.4
226.09480	2.5
239.06702	0.5
240.11615	0.5
242.08430	1.5
254.08887	4.0
259.11087	100.0
260.11328	2.2
286.11707	3.6
287.05533	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	286.1143
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	2.4
55.05482	0.9
56.96564	0.8
57.03423	4.1
60.05622	0.7
61.02905	1.3
69.03418	2.4
69.07043	1.1
69.47836	8.1
70.06583	37.4
70.94256	0.9
71.01349	1.3
72.08141	8.2
73.02899	2.2
77.66934	1.0
81.03413	1.3
82.04060	2.3
84.04497	2.8
84.08133	8.1
85.02892	3.0
86.09689	3.8
88.03957	0.8
89.69513	0.8
94.04034	1.1
95.04969	0.9
97.02888	1.7
98.20676	1.4
98.97569	0.9
100.03996	1.3
102.05538	0.8
106.06600	0.8
109.02900	0.9
109.05105	13.6
110.03515	2.8
110.07150	3.4
111.06693	1.2
111.96796	1.0
112.05080	4.3
112.07592	25.2
112.08732	1.1
114.05513	1.6
115.03979	0.9
116.07076	8.6
116.98619	1.0
119.03554	1.5
121.02876	0.9
121.05115	2.2
123.04432	1.4
124.03933	5.2
124.07561	1.5
125.04626	1.2
125.06966	1.5
126.05411	1.5
126.07750	28.6
127.06169	6.4
128.04579	1.7
129.10201	2.7
130.04958	1.3
130.08606	0.9
133.04951	1.8
136.06166	15.9
137.04567	34.5
138.07736	7.5
140.07040	13.5
140.08083	0.6
141.10237	1.1
143.11743	0.9
150.07742	1.6
152.05695	1.8
153.04089	0.9
154.07211	100.0
155.05606	2.2
155.07559	1.0
156.07613	1.3
157.09735	1.9
162.07697	0.9
165.05420	0.8
166.07242	2.1
168.08951	0.9
177.53142	0.7
178.07275	1.2
181.04964	1.6
182.05315	1.1
185.09198	7.3
187.10771	0.8
196.08279	3.3
204.08844	2.4
226.09262	2.0
250.09409	1.0
258.11954	1.7
263.00610	0.8
268.10373	4.0
286.11450	25.8
286.14267	3.1
286.18124	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	286.1069
Annotation	Toddaliopsin A
Peak:m/z	Relative Intensity
55.01855	2.9
55.05488	1.9
56.05015	0.8
57.03428	1.8
58.08283	0.8
59.33864	0.9
61.02930	9.2
67.05489	1.9
69.03408	2.0
69.07039	1.3
70.06587	7.3
71.79755	0.8
72.08121	3.3
79.05476	1.5
81.03389	3.2
81.07044	2.3
84.08112	1.8
85.02882	1.5
86.09664	1.7
91.05463	3.3
93.07011	0.9
103.05447	0.9
105.07026	0.9
107.04932	1.3
109.06496	0.9
115.05414	1.0
116.01641	1.5
116.07085	1.2
117.05728	2.1
117.06964	1.5
118.06516	1.3
119.08539	1.3
128.06245	1.2
129.07016	5.3
130.06514	8.4
131.04907	0.8
135.08086	0.9
142.06499	2.5
143.07211	1.1
143.08505	1.2
144.04446	1.2
144.08078	33.6
145.06464	1.1
145.08377	1.2
153.06963	2.1
154.06493	9.8
155.07283	10.8
156.08080	15.5
157.05190	1.4
158.05995	21.8
164.79099	0.7
167.07153	1.5
168.08051	2.1
170.06134	1.7
170.09583	3.7
172.07562	100.0
172.60989	0.8
173.07944	2.2
180.08066	16.8
181.08568	1.3
182.05977	1.6
183.06772	6.3
184.07565	10.2
193.12314	0.8
194.09616	3.5
194.12466	1.0
196.07587	2.1
197.08313	1.1
198.09109	6.9
200.07056	58.7
200.37256	0.8
201.07378	1.8
202.08595	3.7
204.07938	1.2
207.06651	1.8
208.07573	11.5
212.07004	1.2
212.10652	1.9
222.09088	3.6
224.06978	5.1
225.07788	1.2
226.08604	65.9
227.08882	2.1
236.16411	0.9
239.09464	1.6
240.10175	3.3
250.08624	6.2
254.09068	1.0
254.17603	1.0
255.28902	0.7
268.09665	49.6
269.09821	1.5
286.10687	53.0
286.19821	4.2
287.05408	10.3
287.10733	2.1
309.67114	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1693
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	5.3
55.01857	6.1
55.05506	21.5
57.03162	2.8
57.03430	44.4
57.07074	2.1
59.04981	1.8
61.63089	1.3
63.00044	1.7
65.03914	1.5
67.05498	41.8
69.03426	11.6
69.07059	15.0
70.06576	4.0
70.33374	7.4
71.04976	12.7
72.08138	3.7
79.05482	37.1
81.03409	100.0
81.07048	43.5
81.07452	0.8
81.07530	1.4
82.03722	1.5
83.04964	12.8
83.08611	31.6
84.04481	2.1
84.08130	1.6
85.02898	65.8
85.06519	6.4
87.04417	1.7
87.12096	1.3
91.05470	39.8
93.07031	26.9
95.04958	36.8
95.08598	23.8
97.02882	2.6
97.06516	6.6
97.10139	4.4
98.97586	1.6
98.98441	1.5
101.42809	1.9
101.62742	1.4
103.05446	3.0
105.07018	36.2
107.04926	7.0
107.08582	15.3
109.06504	8.1
109.10154	8.8
111.04428	4.1
111.08071	17.0
113.05997	4.8
115.05392	1.6
117.06985	3.0
119.08562	28.9
121.06451	3.6
121.10127	19.1
123.08050	14.8
123.11661	4.2
125.09608	6.1
129.07007	11.7
131.08537	13.1
133.06512	3.8
133.10101	14.3
135.07988	2.1
135.11638	4.2
137.09592	2.1
142.07761	4.3
145.10092	2.6
147.08035	3.3
147.11671	25.9
149.09618	10.3
149.13193	1.9
149.14355	1.5
151.07468	2.8
157.10103	20.0
157.11269	2.6
161.05942	3.2
165.06996	4.7
165.12717	5.9
175.11172	24.4
181.04977	7.8
182.07295	1.9
187.07581	1.7
188.54121	1.4
193.06493	2.9
193.12222	59.4
203.17957	2.2
210.06725	2.7
211.13268	25.3
211.15141	1.7
221.05965	4.0
225.08997	8.4
241.16281	16.0
248.13144	1.7
253.08612	10.4
258.10565	1.8
267.15817	5.3
267.19449	2.0
268.10818	1.8
285.08151	2.4
285.11551	9.7
285.16687	35.1
303.12805	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1692
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	4.1
55.01864	3.6
55.05509	19.1
57.03436	29.3
57.07066	2.1
57.91059	2.3
59.51068	2.1
62.92990	2.2
63.08388	2.5
67.05503	32.0
69.03418	4.9
69.07061	12.0
70.81015	6.1
71.04982	9.1
79.05490	24.3
81.03412	100.0
81.07048	44.0
81.07520	1.9
83.04962	11.8
83.08605	27.3
85.02898	37.9
85.06524	2.3
91.05473	32.7
93.07045	18.6
95.04962	35.6
95.08597	11.1
97.02827	2.7
97.06515	6.9
97.10168	3.2
98.98458	4.5
105.07021	26.1
107.04957	7.8
107.08572	10.8
109.06496	8.2
109.10168	4.2
110.32940	2.3
111.08066	14.4
113.06001	3.3
117.06962	2.0
119.08580	21.7
121.10130	12.9
121.63261	2.2
123.11693	6.9
129.06973	12.2
131.04883	3.2
131.08565	9.2
133.06503	4.7
133.10115	12.4
136.95338	2.1
137.09540	2.5
142.07753	5.4
145.10068	2.8
147.08035	3.3
147.11668	32.6
149.09628	8.0
154.06854	3.4
157.10110	21.5
165.12787	12.2
172.93407	2.3
175.11153	18.1
181.04930	22.7
193.12227	71.5
211.13264	46.8
225.09196	2.4
229.14330	6.8
240.23148	4.0
242.05748	3.6
251.13380	2.6
267.15961	9.2
270.05289	2.2
278.13531	2.5
285.07541	13.0
285.11258	11.5
285.16846	31.7
285.21768	3.0
285.29172	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1693
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.2
55.01865	3.8
55.05507	19.4
57.03431	32.4
63.00024	4.2
63.73647	1.4
65.03942	2.0
67.05498	31.9
69.03416	6.3
69.07064	12.8
70.06586	1.9
71.04979	8.4
71.33858	3.2
71.34215	1.9
72.08144	1.7
79.05487	27.3
81.03410	100.0
81.07047	48.0
82.03715	2.5
83.04980	14.1
83.08611	34.2
83.09083	3.0
84.08123	2.2
85.02385	2.7
85.02898	47.4
85.03398	3.4
85.06524	2.4
87.51151	1.9
91.05471	34.8
93.07041	19.9
95.04964	40.9
95.08597	17.9
97.02883	4.8
97.06534	6.4
97.10169	3.0
99.04455	1.8
99.08110	3.2
103.05454	3.4
105.07020	33.4
107.04937	7.2
107.08582	11.0
109.06533	6.2
109.10148	6.9
111.04443	4.5
111.08061	17.0
113.05991	4.7
115.05497	2.3
117.07024	2.6
119.08568	24.4
120.25464	1.7
121.06517	3.2
121.10139	16.7
123.08061	4.5
123.11656	8.2
125.09683	1.8
129.06967	13.3
131.04947	4.0
131.08566	14.2
133.06491	5.2
133.10101	13.5
135.11705	3.7
142.07776	2.3
143.08591	2.5
145.10127	5.4
147.08009	4.6
147.11671	36.2
149.09612	5.7
155.08516	2.3
157.10139	20.4
159.11732	2.0
165.12770	10.8
173.89185	1.9
175.11185	27.8
181.04964	23.4
189.00563	2.6
193.12225	92.6
211.13264	47.1
211.15141	3.2
212.13635	1.7
221.05783	2.1
222.97026	2.1
225.09082	4.5
229.14423	6.6
253.08650	5.3
267.15839	8.1
270.66293	1.8
285.07974	3.3
285.11115	12.0
285.16858	38.0
285.22110	5.8
285.29663	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1694
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.2
55.01867	4.3
55.05510	13.8
57.03431	30.9
57.03710	1.7
63.00040	4.3
67.05501	26.1
69.03423	2.4
69.07069	9.8
69.52089	7.2
69.52516	6.0
71.05000	7.5
79.05485	26.2
80.00769	1.3
81.03410	100.0
81.07050	39.2
83.04986	10.8
83.08112	1.8
83.08607	30.6
84.08147	1.3
85.02893	46.7
85.06535	2.4
85.54242	1.5
91.05476	33.5
93.07036	17.8
95.04955	38.0
95.05515	2.5
95.08617	13.5
95.97389	1.5
97.02872	4.2
97.06519	4.3
97.10161	2.0
98.98452	2.6
103.05469	4.4
105.07016	28.1
107.04952	6.4
107.07925	1.5
107.08583	8.7
109.06519	6.1
109.10159	5.0
111.04430	4.4
111.08069	16.5
113.05994	2.9
115.05458	2.2
117.07020	2.1
119.08572	22.3
121.10133	10.7
123.08041	2.6
123.11696	4.0
125.09630	1.9
127.07520	1.8
128.06207	2.4
129.07027	11.4
131.00055	1.6
131.04916	4.4
131.08563	11.5
133.06468	4.2
133.10109	8.9
137.09639	3.9
140.98466	1.9
142.07816	2.7
145.10139	3.7
147.08028	3.4
147.11661	23.5
149.09628	8.6
151.11234	1.4
155.08578	1.3
157.10088	17.6
159.11661	2.1
161.05984	2.3
165.12781	8.5
171.11674	2.6
174.99036	3.7
175.11172	20.8
181.04961	25.3
185.13333	1.5
189.00563	3.5
193.12234	78.1
211.13274	48.4
211.71179	1.4
225.09094	5.0
238.06218	2.3
253.08594	7.5
267.15961	6.1
285.06677	2.6
285.07697	2.4
285.11304	17.5
285.16916	38.0
285.21954	3.1
285.25342	2.0
285.29764	2.0
308.71063	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1694
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	4.4
55.01867	5.2
55.05508	24.4
57.03430	39.0
57.07061	2.7
59.04982	1.1
63.00023	0.9
65.03930	2.2
65.26403	0.9
67.05499	39.7
69.03419	11.0
69.07061	10.1
69.70901	7.7
70.06592	2.4
71.04983	9.9
71.75835	0.9
72.08134	1.2
77.03933	1.4
79.05486	36.5
81.03410	100.0
81.07047	45.9
81.07428	0.6
81.07549	1.4
82.03723	1.0
83.04973	14.1
83.08109	1.6
83.08614	30.9
85.02897	64.0
85.06525	5.4
86.09702	1.0
87.04436	2.8
91.05470	46.3
91.06044	2.3
93.07037	28.2
95.04958	35.5
95.08595	26.3
97.02866	2.9
97.06525	6.4
97.10159	6.3
98.21476	1.1
99.04460	1.3
99.08079	3.4
103.05445	1.7
105.06333	2.2
105.07021	35.3
107.04963	8.1
107.08578	16.0
109.06511	8.2
109.10146	10.2
111.04428	3.5
111.08080	17.6
113.05969	4.4
115.03799	1.2
115.05427	1.9
116.86334	1.1
117.07000	3.8
119.08569	26.5
120.08926	1.0
121.06501	2.4
121.10128	18.4
123.08042	15.0
123.11687	4.3
125.05982	1.4
125.09608	4.3
128.06242	1.3
129.06992	13.2
131.04951	1.5
131.08551	16.1
133.06482	5.1
133.09184	1.3
133.10114	14.6
135.08031	1.8
135.11699	4.7
137.09581	2.3
142.07753	4.1
143.08443	1.3
145.10123	3.6
147.08006	4.1
147.10568	2.0
147.11662	24.2
147.76175	1.0
149.09628	7.4
149.10608	1.6
151.07498	3.5
151.11176	2.0
155.08577	1.1
157.10098	18.2
159.11597	1.5
161.05994	2.0
163.11177	1.4
165.06996	2.9
165.12756	5.1
175.11177	24.7
175.14784	1.5
181.04916	10.5
185.13170	1.1
189.16394	1.0
193.06480	2.2
193.12225	68.6
197.13196	1.1
203.17975	2.3
210.06741	2.3
211.13278	31.3
213.16371	2.1
221.05980	1.8
225.09135	4.2
231.17433	1.7
242.05740	1.1
249.18495	3.4
253.08647	7.6
267.11279	1.3
267.15936	4.4
267.19461	2.4
285.07724	1.6
285.11472	10.6
285.16928	41.9
285.22116	4.3
286.12888	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1694
Annotation	Hysterone D
Peak:m/z	Relative Intensity
52.03159	1.5
53.03922	3.6
55.01854	3.4
55.05260	2.4
55.05503	21.5
57.03429	30.7
57.07058	2.6
63.00010	2.4
65.03925	3.1
67.05496	35.4
69.03403	4.1
69.07051	10.9
71.04986	8.1
71.49010	2.5
74.78694	1.8
79.05486	25.4
81.03409	100.0
81.07048	37.7
83.04961	14.9
83.08608	30.5
85.02898	55.2
85.06541	3.0
91.05475	31.1
93.07047	18.2
95.04958	40.0
95.08601	12.4
97.02857	3.9
97.06511	5.2
97.10157	3.8
98.76479	1.8
98.98418	2.2
99.08074	1.7
103.05463	4.4
105.07021	29.2
107.04922	6.0
107.07950	2.1
107.08582	10.9
109.06501	7.0
109.10155	7.1
111.04439	5.1
111.08081	16.0
113.05981	5.8
115.05439	2.4
115.71447	1.6
117.07038	1.8
119.08555	22.6
121.06463	2.2
121.10166	10.2
123.08061	2.8
123.11705	3.7
129.06996	11.8
131.04907	5.2
131.08553	14.4
133.06468	4.3
133.10120	9.4
135.11656	2.5
137.09608	1.8
142.07771	2.8
143.08447	2.1
145.10120	4.9
147.08044	4.1
147.11678	22.6
149.09598	5.6
157.10117	18.4
165.12715	6.5
165.53168	1.6
175.11186	20.1
181.04930	29.2
193.12224	80.9
194.12558	2.4
211.13280	56.7
225.09016	2.2
229.14131	2.4
267.15915	6.3
285.07611	4.9
285.11221	10.4
285.16873	45.3
285.21777	3.5
285.29959	8.1
286.17361	2.9
286.30984	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1693
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	5.2
55.01860	7.4
55.05502	20.3
57.03432	25.5
57.07063	1.7
58.87615	1.3
60.04498	1.8
60.07259	1.4
63.00026	1.8
65.03912	3.3
67.05496	45.2
69.03426	13.6
69.07054	12.0
69.94905	1.3
70.02946	1.7
70.06585	6.9
71.04653	1.8
71.04988	16.8
71.74756	1.9
72.08137	5.1
75.11533	1.3
79.05479	36.3
80.05003	1.4
81.03411	100.0
81.07047	53.9
83.04964	11.9
83.08611	30.1
84.04505	2.4
84.08119	3.7
85.02894	38.0
85.06521	9.7
86.09698	4.2
87.04444	4.4
88.47624	1.3
91.05467	31.7
92.00346	1.5
93.07034	23.3
95.04957	35.0
95.08594	29.4
96.09003	1.3
97.02861	3.1
97.06524	9.5
97.10165	4.2
98.98449	1.7
99.08081	3.0
101.06042	2.3
105.07019	28.1
107.04972	6.7
107.08564	12.9
108.08100	2.8
108.08895	1.6
109.06493	5.1
109.08447	1.9
109.10156	11.8
111.04411	4.0
111.08059	16.6
113.05956	3.2
115.03915	2.3
115.05443	2.7
117.07018	4.9
119.04937	1.8
119.08572	22.1
121.06548	2.9
121.10137	17.8
122.09616	1.7
123.08041	12.2
123.09962	1.8
123.11710	6.1
125.05995	1.7
125.09605	3.7
129.06979	11.7
129.09001	1.3
129.10158	1.5
131.04883	3.9
131.08565	12.9
133.06476	4.1
133.10114	11.4
135.08052	2.4
135.11710	7.0
137.09613	3.2
142.07765	3.2
145.10072	3.1
147.04260	1.5
147.08052	4.4
147.11679	16.5
149.09624	7.9
149.13249	1.4
150.12648	1.8
151.07558	3.3
151.11221	2.2
151.13268	1.6
152.13875	2.0
152.40665	1.5
157.10080	13.9
161.05937	1.8
163.11118	1.7
165.07051	2.8
165.12767	5.9
169.07169	1.3
172.07486	1.4
175.11172	20.0
177.56487	1.3
179.16350	1.7
181.04955	18.3
182.08519	1.6
189.16342	1.6
193.12222	59.6
194.12564	1.7
195.09189	3.9
196.09898	10.8
203.17896	3.2
211.08723	1.5
211.13406	15.0
212.10701	12.7
222.96846	1.4
224.09479	7.9
225.09096	4.8
239.11792	23.1
239.20024	4.6
240.15942	4.1
241.16257	39.5
253.08598	7.0
267.11270	35.2
267.15649	8.9
267.19592	3.1
268.11517	1.7
285.07477	2.2
285.12253	75.8
285.16693	15.1
285.19455	21.2
286.04739	1.6
286.12729	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1694
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26229	0.6
53.03933	1.2
55.01864	2.0
55.05232	1.0
55.05503	17.1
57.03159	1.1
57.03434	20.7
57.07070	2.0
58.14880	0.6
59.04971	0.9
65.03940	0.7
67.05500	32.3
69.03413	1.4
69.07063	19.9
70.33720	3.0
70.86272	0.6
71.04987	7.2
73.06566	0.7
73.70670	0.6
79.05488	20.8
79.69910	0.6
81.03414	1.4
81.07049	100.0
82.07370	1.5
83.04981	7.9
83.08614	10.8
83.63309	0.8
85.02901	1.0
85.06534	6.5
89.06623	0.6
91.05473	26.7
93.07034	12.7
95.04971	3.2
95.08599	19.5
97.06518	8.6
97.10162	1.5
99.08102	4.5
101.06017	0.9
105.07024	36.5
107.04881	0.8
107.08585	13.0
109.06514	6.3
109.10133	2.8
111.08065	1.6
113.06002	1.1
119.08569	31.7
121.09253	1.1
121.10131	20.4
123.08054	4.1
123.11696	30.3
127.07555	3.8
129.07008	2.3
131.08566	2.4
133.10123	2.6
135.11748	0.6
137.13239	2.6
141.09056	1.3
145.10107	2.9
147.11674	77.6
148.12007	1.9
149.09572	1.0
157.10123	4.5
159.11678	1.3
165.07091	0.6
165.12743	36.7
166.13097	1.1
173.13159	0.9
175.11183	4.3
181.04948	2.7
183.12340	0.8
183.13713	4.1
193.12221	3.6
211.13205	1.1
221.05943	0.8
225.08957	1.0
229.14328	6.1
252.55394	0.7
253.08585	2.4
267.15881	3.8
285.11298	2.0
285.16925	43.5
285.22104	2.5
286.17404	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1693
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.9
55.01867	1.9
55.05237	0.8
55.05505	13.5
57.03430	21.2
59.04998	1.2
65.03927	1.1
67.05497	32.2
69.03418	0.7
69.07057	18.7
69.07427	1.3
71.00202	1.4
71.00577	1.6
71.04984	5.9
77.03934	0.7
79.05482	18.1
79.74019	0.7
81.07046	100.0
82.07379	0.7
83.04972	8.8
83.08607	11.3
85.02891	0.7
85.06526	7.2
91.05468	25.2
93.07033	14.0
95.04964	3.7
95.08591	22.4
97.06529	7.5
97.10168	1.4
99.08096	4.4
101.06033	1.6
103.05445	1.4
105.07018	38.6
107.08577	13.1
109.06502	6.7
109.10150	2.0
111.08080	1.3
113.06009	1.9
119.08568	28.4
121.10131	21.8
123.08037	4.7
123.11694	30.4
127.07523	3.0
129.06979	3.8
131.08539	2.2
133.10114	3.9
137.09583	0.9
137.13243	2.0
139.85635	0.8
141.09081	1.5
145.10164	1.7
147.11667	77.0
148.12000	2.0
151.38069	0.7
157.10110	6.3
161.05980	0.8
165.06967	0.9
165.12732	38.2
166.13110	1.1
172.81784	0.7
175.11145	5.0
183.13745	3.7
193.12218	3.1
211.13321	1.1
221.31885	0.6
221.66978	0.7
225.09088	1.1
229.14308	9.0
253.08553	1.4
267.15884	3.2
272.41360	0.7
285.11560	1.6
285.16925	34.7
285.22012	1.3
286.17270	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1694
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.4
54.63433	0.4
55.01872	2.1
55.05508	15.3
57.03432	20.0
57.07066	1.0
59.04998	0.7
63.00023	0.6
65.03949	0.9
67.05499	32.9
69.03405	1.0
69.07061	19.7
70.08734	1.9
71.04984	6.2
79.05018	0.9
79.05485	19.2
81.03413	1.2
81.07049	100.0
81.29338	0.4
83.04974	8.1
83.08611	10.5
85.02907	0.8
85.06530	7.2
87.04462	0.9
91.05470	25.3
93.07037	12.6
95.04955	4.1
95.08595	19.8
97.06520	7.0
97.10165	0.9
99.04452	1.2
99.08082	4.5
101.06019	1.4
103.05457	0.9
105.07018	34.6
107.04962	0.8
107.08589	13.6
109.06505	6.4
109.10161	1.7
111.08076	1.2
113.06017	2.1
115.07589	0.8
117.07007	1.2
119.08571	29.9
121.10136	18.1
123.08082	4.3
123.11695	28.8
125.09661	0.7
127.07545	2.9
128.06253	0.4
129.06133	0.6
129.06961	2.1
131.04915	0.6
131.08568	1.9
133.10126	3.0
135.11636	0.4
137.09599	0.8
137.13228	3.0
141.09087	1.6
142.07744	0.7
143.08574	0.6
145.10088	2.4
147.11671	75.0
148.12032	1.2
149.09651	1.0
157.10080	3.5
161.05966	0.7
165.07104	0.5
165.12741	39.3
168.66124	0.4
175.11198	4.8
181.04886	3.0
183.13785	4.5
193.12238	3.0
209.05971	0.5
210.06709	0.8
211.13277	1.0
221.06070	0.8
225.09073	1.9
229.14346	4.8
253.08594	3.1
267.15881	2.7
267.21066	0.7
285.11389	3.1
285.16943	42.7
285.22134	2.1
286.17401	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1694
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03918	2.4
55.01864	2.2
55.05508	14.8
57.03429	23.0
59.05017	1.3
65.03933	1.8
67.05499	37.0
69.03413	2.1
69.07063	19.7
69.72309	3.8
69.72726	8.6
71.04985	6.9
79.05492	23.1
81.03419	11.9
81.07048	100.0
82.07349	2.0
83.04968	5.7
83.08612	10.4
85.02905	2.5
85.06532	9.4
90.45457	1.3
90.95026	1.3
91.05470	28.3
93.07030	14.2
95.04946	7.2
95.08607	20.7
97.06499	6.1
98.21458	1.9
99.08073	2.5
105.07019	39.3
107.08571	13.0
109.06520	7.2
109.10135	2.8
111.08077	2.4
113.05986	2.4
119.08578	28.1
121.10139	23.8
123.08067	4.6
123.11703	26.9
127.07549	4.0
129.06981	3.4
131.08545	2.4
133.10088	3.0
133.42415	1.3
137.13171	1.4
145.10092	2.3
147.11674	77.8
148.11978	1.9
149.09615	2.0
157.10104	5.9
165.07051	1.3
165.12730	37.6
166.13126	1.6
175.11179	4.8
181.04883	1.9
183.13924	2.6
188.62457	1.3
193.12216	7.3
211.13269	2.0
225.09117	4.3
229.14372	5.6
253.08524	5.1
267.15866	5.2
285.11316	2.2
285.16934	36.9
285.22006	4.5
286.17279	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1696
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51244	0.5
53.03946	1.3
55.01860	1.9
55.05507	16.0
55.19650	0.6
57.03431	24.5
57.07066	1.5
59.04977	1.4
65.03935	1.3
67.05501	37.5
68.05805	0.6
69.03427	2.1
69.07065	17.1
69.58311	2.8
69.58750	2.5
71.04990	8.5
74.09737	0.7
79.05488	21.8
81.03417	9.3
81.07050	100.0
82.07369	0.9
83.04980	8.4
83.08617	11.5
85.02908	3.2
85.06530	8.3
87.04462	1.7
91.05474	29.0
93.07040	15.2
95.04963	7.5
95.08598	22.1
97.06517	7.4
99.08089	4.5
101.06010	2.6
105.07023	36.2
107.04962	1.2
107.07906	1.3
107.08592	14.2
109.06520	6.3
109.10162	3.6
111.08067	3.0
113.06018	1.7
115.03887	0.8
115.05414	0.6
117.07018	1.2
119.08577	29.8
121.10136	22.6
123.08070	4.3
123.11699	29.3
125.09632	0.9
127.07561	3.3
129.06972	3.6
131.08563	2.8
133.10100	4.8
135.11694	1.0
137.09583	0.8
137.13258	2.6
141.09125	1.5
142.07782	1.0
145.10127	2.0
147.11673	75.2
149.09608	1.0
151.11128	1.2
157.10135	5.0
159.11707	0.8
165.07045	0.9
165.12747	37.8
166.13081	1.0
175.11182	5.1
181.05023	1.6
183.13792	4.7
193.12236	7.3
199.14784	1.0
203.17957	1.2
211.13292	2.4
221.05995	0.9
225.09090	1.3
229.14297	6.7
253.08549	1.7
267.15884	3.9
270.25842	0.7
273.51257	0.7
285.11465	2.1
285.16943	42.3
285.22089	1.9
286.17267	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1693
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35485	0.8
53.03936	1.4
55.01860	1.6
55.05507	17.4
57.03429	22.8
57.07068	1.0
67.05494	33.3
69.06693	1.2
69.07058	20.1
69.44732	1.0
69.45057	11.3
71.04971	5.4
73.06531	0.9
79.05479	21.8
81.07047	100.0
83.04969	9.4
83.08241	0.9
83.08613	9.7
85.06532	6.0
91.04925	1.9
91.05470	26.4
93.07032	11.1
95.04942	2.6
95.08595	20.2
97.06514	7.2
98.20676	2.1
99.08064	4.5
101.05996	1.6
103.13582	1.0
105.06338	2.0
105.07018	38.9
107.08585	12.5
109.06506	5.5
109.10108	1.2
111.08035	1.9
113.06001	2.5
117.06956	1.0
119.07736	1.8
119.08563	29.8
121.10128	21.4
123.08031	3.8
123.11689	31.3
127.07521	2.7
129.06963	2.1
133.10106	2.7
137.09583	1.1
137.13248	3.4
141.09055	1.2
145.10094	1.0
147.11667	77.0
157.10149	3.1
157.33490	0.9
165.12735	42.9
165.61029	1.0
175.11208	2.9
183.13806	4.5
193.12228	2.6
221.41608	0.9
229.14320	6.2
267.15909	4.1
285.16925	42.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1694
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59187	1.3
53.03932	3.7
55.01860	3.3
55.05503	18.0
57.03434	15.5
58.97062	1.3
60.86368	1.3
67.05502	31.2
69.03408	3.9
69.07065	8.0
69.43142	1.3
69.43468	15.6
70.06570	1.7
71.04994	7.2
72.08142	1.5
73.06533	1.1
74.96240	1.3
79.05490	21.2
81.03410	100.0
81.07047	52.0
81.07413	1.0
82.03738	1.7
83.04985	10.1
83.08611	23.4
84.04485	1.9
85.02883	9.6
85.06522	5.6
88.11097	1.3
91.05473	28.3
93.07039	19.5
95.04958	30.5
95.08591	18.1
97.02876	3.2
97.06499	4.7
97.10114	2.1
105.07022	26.9
106.43464	1.3
107.04954	7.9
107.08582	9.9
109.06496	5.5
109.10140	6.6
111.04448	2.4
111.08054	9.0
113.06031	2.3
115.05412	2.1
117.07016	1.9
119.08572	21.2
121.10128	11.9
123.08041	3.2
123.11691	12.1
125.02374	2.6
125.09570	2.2
129.06992	10.5
131.08556	10.9
133.06438	2.8
133.10115	10.4
135.08028	1.5
137.09625	2.6
141.05368	1.7
141.07008	1.4
142.07747	3.9
143.08537	3.0
145.10118	5.1
147.07991	2.5
147.11670	35.0
149.09590	5.2
157.10106	17.5
159.11679	3.2
161.05934	2.4
165.06975	3.4
165.12720	16.3
169.10112	1.7
169.65697	1.5
171.11655	2.5
175.11180	18.2
181.04996	6.5
181.06401	1.9
187.14813	2.1
189.16322	2.7
193.06384	1.6
193.12230	44.6
199.14754	2.9
211.13225	10.6
215.08199	1.5
221.05891	2.7
225.09067	6.3
229.14369	13.1
239.18323	1.5
243.11267	2.5
244.95761	1.3
249.14723	1.9
253.08429	7.0
257.12866	1.7
267.15814	8.9
285.11850	11.7
285.16800	15.5
285.22012	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	285.1693
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47106	1.9
53.03940	4.4
55.01855	5.3
55.05510	32.3
57.03172	3.3
57.03434	60.3
57.35089	1.7
65.59948	2.1
67.05501	42.6
69.03429	17.5
69.07063	11.3
69.58524	15.0
71.04982	13.5
71.57306	1.5
77.78637	1.6
79.05489	42.7
81.03414	100.0
81.07051	52.3
83.04979	16.7
83.08115	2.0
83.08614	36.5
85.02898	90.2
85.06525	7.0
91.05473	44.6
93.07033	28.8
95.04401	3.1
95.04960	39.9
95.08593	27.3
97.02858	5.8
97.06514	6.3
97.10151	6.9
99.08061	1.8
102.80437	2.0
103.05486	2.4
105.07024	33.4
107.04941	6.8
107.08579	14.6
109.06516	10.8
109.10130	7.1
111.04433	3.1
111.08079	17.7
113.05993	5.1
115.05450	2.3
117.07034	3.4
119.07758	2.0
119.08579	30.0
121.10131	16.0
123.08063	25.7
123.11676	3.0
125.09581	5.7
129.06992	10.4
131.04915	2.3
131.08543	10.9
133.06454	5.4
133.10146	14.1
135.11694	2.1
137.09599	2.7
142.07843	2.3
147.08061	2.2
147.11671	22.5
149.09584	8.7
151.07503	4.7
157.10120	21.9
160.22615	1.6
165.12744	6.8
166.23685	1.7
168.06680	1.7
175.11197	20.4
181.04990	9.1
193.12241	69.0
193.14020	3.6
203.18147	2.1
211.13281	26.2
221.05859	2.0
225.09145	4.0
253.08519	3.5
267.15765	2.7
285.06976	6.6
285.11243	7.8
285.16904	51.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1692
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87091	2.5
52.92442	2.3
55.01854	3.7
55.05503	17.3
57.03424	23.5
57.07051	5.0
57.60673	2.2
65.03899	2.4
67.05492	39.7
69.07059	21.6
71.04962	8.1
71.08591	3.5
71.76453	2.8
79.05470	22.2
81.03376	4.3
81.07045	100.0
83.04973	8.1
83.08598	12.9
85.02885	3.0
85.06505	9.3
91.05470	31.5
93.07018	10.4
95.04953	8.7
95.08590	26.7
97.06509	8.3
98.98434	2.5
99.08085	4.8
102.79607	2.6
103.05470	3.4
105.07020	40.4
107.08551	13.0
109.06518	5.2
119.08565	28.1
121.10135	17.8
123.08059	3.6
123.11688	31.7
129.06984	6.0
131.04884	7.4
133.06519	2.5
133.10132	5.0
137.13333	2.7
147.11668	75.8
157.10158	6.2
159.08047	2.6
159.27026	2.8
165.12735	36.6
175.11127	4.9
181.04942	31.9
193.12236	7.5
199.05849	2.8
229.14366	6.2
246.90829	3.0
265.81195	2.7
267.15787	3.5
285.07840	6.0
285.11188	13.1
285.16876	38.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.133
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	2.3
55.01858	4.1
55.05504	3.3
57.03421	5.3
60.63689	1.4
63.00025	5.1
67.05495	3.6
70.06591	12.0
71.05006	1.5
71.75401	1.4
71.75812	1.7
72.08131	3.8
74.86285	1.5
75.04467	2.3
79.05482	11.0
81.03431	3.0
81.07041	3.1
84.04504	2.7
84.08123	7.0
86.09691	9.0
91.05473	21.8
93.07015	5.3
95.04960	4.2
95.08601	2.1
97.06570	1.5
98.98443	2.0
100.11263	5.1
103.05445	8.9
105.03372	6.6
105.07017	21.6
106.04152	3.6
107.04949	11.7
108.05699	2.2
109.06509	5.0
110.07130	5.1
115.05473	3.8
117.07051	1.7
118.04121	1.7
118.06522	1.7
119.04940	23.5
120.08080	5.1
121.06484	11.6
123.08053	2.4
125.02372	1.9
125.05975	3.8
129.10197	3.9
131.04922	6.0
133.06477	16.8
134.03613	4.2
135.04390	9.3
135.08026	2.7
136.05183	5.9
137.05971	4.0
140.04668	9.4
146.03616	3.3
147.04387	6.0
147.08022	1.7
149.05969	17.8
151.07520	15.2
153.05453	100.0
154.05931	1.5
161.05963	39.4
162.06715	2.3
163.07535	1.6
165.05481	4.1
165.07004	10.0
167.07031	14.4
168.07811	75.1
177.05519	3.8
179.07001	8.6
181.04955	26.8
181.06418	2.5
181.08566	4.3
182.07269	3.8
182.15498	1.4
193.06499	8.8
193.08603	38.9
196.07294	74.9
209.06142	1.6
209.08096	6.4
210.06772	6.0
210.08672	1.7
211.09621	50.8
211.11661	3.1
221.05992	8.2
225.09077	17.3
238.06125	2.1
253.08572	22.9
267.10074	1.8
285.11176	25.1
285.24146	2.5
285.29681	2.2
286.11380	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0829
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	1.1
55.02976	0.5
56.13430	0.4
57.03448	2.1
57.24437	0.4
61.02912	0.7
67.51006	0.4
69.03423	1.3
69.93286	0.4
70.06583	2.1
71.01331	0.8
71.62962	0.9
73.02898	2.1
81.07051	0.4
82.04069	0.4
84.08131	1.2
85.02901	1.8
87.04489	0.4
95.06099	0.8
97.02874	1.3
103.04012	0.4
104.78363	0.4
109.05138	0.7
110.03519	14.0
110.07156	4.0
112.07628	0.7
115.03922	1.1
124.05015	0.4
125.06949	0.9
126.07738	1.2
128.04602	1.9
133.04944	2.0
136.01421	3.0
136.06166	2.9
137.04576	0.7
137.06534	0.5
140.07097	1.0
149.06757	0.4
152.05659	1.5
152.07021	0.7
153.04068	100.0
154.02475	13.2
154.03711	0.5
154.04445	1.0
154.07253	2.0
155.05853	0.4
163.12321	1.3
181.04999	2.1
199.63016	0.4
254.15031	0.6
285.11011	0.7
286.17584	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1119
Annotation	Isobatatasin I
Peak:m/z	Relative Intensity
53.92039	0.6
55.05492	2.4
57.03415	3.1
63.92456	0.6
67.05490	3.2
67.51475	0.7
69.03403	0.9
69.07040	0.9
69.93977	3.3
69.94412	1.3
75.88579	0.7
79.05461	2.9
81.03390	2.9
81.07034	4.8
83.04955	1.2
83.08610	1.8
83.11180	0.6
85.02885	2.9
91.05473	3.5
93.07024	2.3
94.16434	0.6
95.04942	2.6
95.08595	2.3
97.06487	0.9
103.05422	1.5
103.40517	0.6
105.07037	4.3
107.08598	0.9
109.06453	0.7
109.10093	0.9
110.07034	0.7
115.05452	1.0
119.08605	1.2
121.06493	0.9
121.10112	1.4
123.04444	1.0
123.08063	1.0
129.06975	0.9
131.04903	1.6
131.08517	1.2
133.06494	0.7
133.10103	1.2
137.05968	4.6
145.08276	0.6
146.03613	9.6
147.11652	1.2
149.05934	0.8
152.06151	0.8
153.06940	3.0
154.07739	3.1
157.10127	1.6
160.05151	0.7
161.05966	22.9
162.06725	1.1
165.06995	35.7
166.07555	2.1
167.08556	1.5
169.09972	0.8
170.99864	0.7
171.08029	0.7
175.11127	1.0
177.07022	1.2
178.07677	1.2
179.08565	1.6
181.04924	5.0
181.06483	5.9
182.07257	14.4
183.07970	1.2
193.06477	27.0
193.12198	3.2
194.07265	4.2
196.08751	0.8
197.09555	2.3
197.72325	0.7
199.07515	1.6
207.08073	1.2
209.05991	1.7
210.06746	25.1
211.07423	3.3
221.05959	31.3
222.06554	4.1
224.08240	1.4
225.09084	78.3
226.09459	2.5
227.07030	3.5
237.05460	1.4
238.06213	9.7
239.07018	5.6
239.14151	0.9
241.08624	0.8
242.09302	0.8
253.08582	100.0
254.09212	8.6
255.06477	2.5
255.39351	0.7
257.11301	0.6
267.10052	1.2
270.08807	4.8
285.11191	74.6
286.11508	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	285.1118
Annotation	FLAVOKAWAIN B
Peak:m/z	Relative Intensity
53.03913	0.5
55.01846	0.4
55.05487	0.4
57.03421	0.5
63.00008	0.4
65.03924	0.6
67.05484	1.0
69.07048	0.3
71.75401	0.5
79.05465	1.4
80.02611	0.3
81.03401	0.5
81.07031	1.3
83.04960	0.4
85.02913	0.4
91.05457	2.0
93.03382	0.5
93.07044	0.6
95.04960	2.8
95.08575	0.6
97.06538	0.3
98.98429	0.4
99.04438	0.3
103.04838	0.4
103.05459	6.1
105.07004	0.8
107.08577	0.6
109.06445	0.4
111.04424	1.1
119.08552	0.6
121.02838	0.6
121.10194	0.5
122.03632	0.4
123.04380	0.6
123.11661	0.3
125.05955	1.4
129.07005	0.3
131.04912	9.9
131.05885	0.7
131.08542	0.5
138.03116	3.9
141.05428	0.7
147.11653	0.7
151.03841	1.2
153.05402	0.5
157.10149	0.3
165.07034	0.4
166.02596	3.1
173.13171	0.4
181.04933	100.0
182.05293	1.6
184.03635	3.7
193.12173	0.4
242.05750	0.4
243.10173	0.9
253.08653	0.6
285.08066	0.9
285.11194	25.0
285.21960	0.9
286.11279	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0827
Annotation	Xanthosine
Peak:m/z	Relative Intensity
55.01855	1.2
55.02974	0.4
57.03416	1.7
61.02909	0.7
69.03410	1.3
69.91032	2.8
70.06574	1.6
71.01344	0.4
73.02905	1.4
74.59493	0.4
84.08121	0.8
85.02888	1.6
86.11896	0.4
93.77044	0.4
97.02854	1.2
99.09572	0.4
110.03516	11.6
110.07142	2.0
112.07610	0.5
115.03879	0.8
125.06911	0.5
126.07761	1.0
128.04559	2.5
133.04930	1.4
136.01445	2.5
136.06177	3.1
137.04561	0.8
137.06526	0.6
152.05698	1.3
152.07019	0.5
153.04057	100.0
154.02455	13.5
154.04388	0.8
154.07222	3.3
156.07585	0.5
163.12273	0.5
164.06924	0.4
179.92203	0.4
181.04950	1.9
219.63760	0.5
229.22868	0.4
285.11221	0.9
286.17618	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.1854
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.3
55.01856	0.3
55.05504	2.3
56.05022	1.5
57.03422	0.6
57.07056	0.5
58.99567	0.9
62.61737	0.3
63.57697	0.3
66.75767	0.3
67.05500	2.0
68.05019	0.7
69.03396	0.4
69.07060	2.2
70.02950	2.3
70.06568	1.1
70.61828	1.2
72.04515	0.8
72.08142	1.5
74.02440	0.5
76.02225	2.5
76.03989	1.4
79.05492	3.2
80.04983	0.8
80.05798	0.5
81.03421	2.3
81.07049	3.4
82.06566	1.2
83.04971	0.6
83.08604	1.6
84.04499	4.0
84.08131	1.2
85.01091	0.5
86.00641	0.4
86.09690	1.1
88.03983	1.4
88.48935	0.3
91.05466	5.2
93.07040	5.9
94.06564	0.8
95.04939	1.2
95.08604	3.0
97.06533	0.5
98.06033	0.7
98.09669	1.7
102.05518	0.7
105.07007	1.4
106.06527	0.4
107.04942	0.4
107.08588	3.3
108.08113	8.3
109.08887	1.0
109.10118	0.6
110.06032	0.5
110.07158	0.4
110.09644	1.4
111.08083	0.4
112.11157	0.5
113.04208	0.7
114.05469	0.5
116.01634	1.6
116.03425	0.7
118.05023	0.8
119.08578	1.0
120.08089	0.6
121.10139	1.0
122.09648	7.8
122.10439	0.3
123.10419	1.5
124.11214	1.1
128.07106	0.3
130.04982	0.8
131.08469	0.5
133.10149	0.9
134.09607	0.5
135.11687	4.6
136.07468	0.5
136.11203	3.0
137.13310	0.5
139.07486	0.5
140.10660	0.8
142.03235	0.4
144.01128	0.7
145.10072	0.4
150.11543	0.8
150.12764	11.5
151.13574	7.1
152.10699	0.9
152.14249	0.5
153.12747	0.6
153.15080	0.5
156.08420	0.9
156.10139	0.7
162.02176	1.2
164.13136	0.3
164.14381	1.6
166.12288	0.8
166.15901	0.8
168.06558	0.9
175.08771	0.6
176.14305	0.9
178.15916	4.4
179.04828	1.2
179.14442	0.5
180.10110	0.7
181.04942	0.8
182.08057	0.5
184.09630	0.6
186.11237	1.6
192.13777	0.7
193.06447	0.4
193.12277	0.7
194.15417	3.1
196.09601	0.9
208.13335	0.4
210.11327	2.5
210.14919	2.9
211.11981	0.6
238.14395	0.6
240.15923	100.0
241.16226	2.5
242.17462	5.0
259.11115	1.4
264.22412	0.3
284.11859	2.6
284.18533	51.6
284.29398	1.2
285.11661	0.7
285.18863	1.2
308.09171	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.1854
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82834	0.4
53.03938	0.5
55.01855	0.7
55.05506	2.2
57.03409	0.9
58.06590	0.4
59.15344	0.4
67.05487	3.1
67.66677	0.4
69.07049	2.6
70.02943	2.5
70.06567	1.7
70.10419	0.8
70.10812	1.1
72.04497	0.8
72.08121	1.2
74.02413	0.4
79.05482	4.3
80.04973	0.5
80.05813	0.6
81.03403	2.9
81.07048	4.1
82.06556	0.9
83.04952	0.8
83.08591	1.5
84.04465	0.6
84.08121	1.3
85.02899	0.5
85.06496	0.5
86.09695	0.9
87.04460	0.4
88.03976	1.6
91.05466	2.0
93.07030	7.0
94.06532	0.6
95.04950	1.4
95.08602	4.0
96.08132	0.6
98.06023	0.6
99.08028	0.5
105.07040	1.9
106.05004	0.4
107.04946	0.5
107.08562	4.1
108.08106	9.0
109.08907	0.9
109.10127	1.2
110.06007	0.5
110.09666	1.6
111.04456	0.6
111.08090	0.9
112.07583	0.7
112.11248	0.6
116.03430	0.9
118.04961	0.9
119.08557	1.7
120.08070	1.0
121.06404	0.5
121.10127	1.5
122.09666	7.1
122.10480	0.6
123.10439	1.3
123.23164	0.4
124.11168	0.4
129.07022	0.5
130.06488	0.5
131.08546	0.6
133.10130	0.7
134.09560	0.5
135.11679	5.0
136.11174	3.3
136.12036	0.6
137.13191	0.6
138.09138	0.5
140.10681	1.2
144.12325	0.4
147.11708	0.5
148.11185	0.5
149.11876	0.5
150.12758	12.1
151.13548	7.4
152.10696	0.7
153.15092	0.9
157.10060	0.5
161.13174	0.6
164.14345	1.5
166.12247	1.4
166.15881	1.1
168.06549	1.4
168.10132	0.5
172.09755	0.5
175.11101	0.4
176.14400	0.7
178.15898	5.0
178.88715	0.4
179.14209	0.4
180.10104	1.1
181.04916	1.5
183.02873	0.5
186.11244	1.4
192.13928	0.6
193.12187	1.6
194.15388	2.5
196.09711	1.3
208.13356	0.7
210.06868	0.5
210.11191	2.4
210.14828	3.3
211.12061	0.6
220.28188	0.4
222.14938	0.6
225.09016	0.7
227.36598	0.4
238.14435	0.5
238.18709	0.4
240.15915	100.0
241.16275	3.0
242.17508	5.2
253.08321	0.5
267.15961	0.4
284.06250	0.7
284.18527	57.9
284.29416	1.8
285.11432	1.2
285.18903	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	284.114
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81796	0.1
52.81203	0.2
54.78606	0.2
55.01880	0.2
55.05508	0.4
57.03427	0.2
65.03931	2.3
65.39327	0.1
67.05488	0.7
68.05028	0.2
69.07067	0.2
70.06585	4.2
70.08080	0.1
70.98513	0.3
70.98859	0.2
72.08159	0.4
79.05482	0.4
81.03424	0.8
81.07041	0.7
82.06566	0.2
83.08636	0.2
84.04536	0.2
84.08141	0.4
86.09705	0.3
87.04491	0.2
89.06026	0.4
90.01926	0.2
91.05471	100.0
92.05808	1.8
93.07028	0.3
95.04935	0.3
95.08621	0.3
96.08157	0.2
100.07610	0.7
105.07038	0.2
107.04978	0.2
107.08611	0.2
108.08073	0.2
109.10166	0.3
110.09671	0.4
112.07619	0.2
116.07095	0.2
119.08554	0.3
121.10149	0.3
128.07083	0.4
130.05022	0.2
134.42264	0.2
148.06195	0.4
154.08714	0.2
165.01776	0.3
166.02237	0.2
177.69150	0.2
181.04939	0.3
184.03191	0.2
189.47008	0.1
193.12231	0.3
206.06729	2.2
220.17033	0.3
225.09225	0.2
238.18005	4.4
253.08630	0.2
266.17490	2.9
284.06339	1.7
284.11398	40.9
284.29477	0.6
285.11646	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.0986
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	1.3
55.02989	1.3
56.04994	0.6
57.03430	1.9
57.07062	0.8
60.04485	0.5
64.35995	0.6
68.05000	0.6
69.03417	1.3
70.06583	5.5
70.20753	2.1
71.01352	3.0
71.87147	0.5
72.08141	1.5
73.02898	1.3
81.03423	0.8
82.04051	2.8
83.06084	0.8
84.04516	0.8
84.07666	0.7
84.08135	3.7
85.02900	2.2
86.09702	1.1
86.68064	0.6
94.04070	0.7
96.04454	0.9
97.02850	1.8
97.05100	0.6
98.03539	1.1
98.06027	0.7
98.98476	0.7
100.39167	0.6
101.02322	0.5
103.03947	0.8
103.21128	0.5
107.03567	0.6
109.05112	5.2
110.03509	4.2
110.07150	6.7
112.05067	1.0
116.07054	0.8
119.03521	1.4
121.05073	1.1
123.05564	0.6
124.03973	0.8
124.06162	1.2
125.04585	4.7
125.06951	1.8
126.05346	0.9
126.07735	3.8
127.06143	10.8
128.03708	0.6
128.04532	3.5
129.10248	1.6
130.08594	1.0
131.04929	0.5
133.04961	1.4
134.04527	0.8
135.03043	3.7
135.05385	1.5
135.06560	0.8
136.06166	100.0
137.04562	8.9
138.06691	0.7
138.07703	1.4
141.10188	0.9
148.06113	0.7
150.07732	1.2
151.06136	1.5
152.05653	98.0
152.09235	1.6
153.04088	3.9
154.07225	11.8
155.05580	1.1
156.07640	0.8
164.05666	1.5
166.07213	1.0
168.08794	0.9
178.07190	2.4
179.05630	1.4
180.05183	0.7
181.04921	0.7
182.06757	1.3
194.06671	1.6
196.08284	1.0
204.05482	1.0
213.12199	0.6
220.08199	0.7
221.06700	0.6
226.92772	0.5
238.09506	0.7
239.07817	1.2
240.06285	1.0
248.07788	1.4
256.10327	2.0
266.08868	3.2
267.07211	1.1
269.97687	0.8
284.09836	20.1
284.29459	4.7
304.18060	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.0986
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	1.3
55.02989	1.3
56.04994	0.6
57.03430	1.9
57.07062	0.8
60.04485	0.5
64.35995	0.6
68.05000	0.6
69.03417	1.3
70.06583	5.5
70.20753	2.1
71.01352	3.0
71.87147	0.5
72.08141	1.5
73.02898	1.3
81.03423	0.8
82.04051	2.8
83.06084	0.8
84.04516	0.8
84.07666	0.7
84.08135	3.7
85.02900	2.2
86.09702	1.1
86.68064	0.6
94.04070	0.7
96.04454	0.9
97.02850	1.8
97.05100	0.6
98.03539	1.1
98.06027	0.7
98.98476	0.7
100.39167	0.6
101.02322	0.5
103.03947	0.8
103.21128	0.5
107.03567	0.6
109.05112	5.2
110.03509	4.2
110.07150	6.7
112.05067	1.0
116.07054	0.8
119.03521	1.4
121.05073	1.1
123.05564	0.6
124.03973	0.8
124.06162	1.2
125.04585	4.7
125.06951	1.8
126.05346	0.9
126.07735	3.8
127.06143	10.8
128.03708	0.6
128.04532	3.5
129.10248	1.6
130.08594	1.0
131.04929	0.5
133.04961	1.4
134.04527	0.8
135.03043	3.7
135.05385	1.5
135.06560	0.8
136.06166	100.0
137.04562	8.9
138.06691	0.7
138.07703	1.4
141.10188	0.9
148.06113	0.7
150.07732	1.2
151.06136	1.5
152.05653	98.0
152.09235	1.6
153.04088	3.9
154.07225	11.8
155.05580	1.1
156.07640	0.8
164.05666	1.5
166.07213	1.0
168.08794	0.9
178.07190	2.4
179.05630	1.4
180.05183	0.7
181.04921	0.7
182.06757	1.3
194.06671	1.6
196.08284	1.0
204.05482	1.0
213.12199	0.6
220.08199	0.7
221.06700	0.6
226.92772	0.5
238.09506	0.7
239.07817	1.2
240.06285	1.0
248.07788	1.4
256.10327	2.0
266.08868	3.2
267.07211	1.1
269.97687	0.8
284.09836	20.1
284.29459	4.7
304.18060	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.0972
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	8.5
55.01865	9.4
57.03426	5.0
60.04513	1.7
61.02909	5.5
63.22267	1.7
67.39973	1.4
68.99776	2.8
69.03422	34.8
70.06572	2.1
70.34731	5.0
71.04982	6.5
73.02900	11.9
81.03404	33.8
84.08102	1.7
85.02893	100.0
87.00813	38.7
91.03943	2.5
97.02878	58.9
98.06046	1.8
99.04445	19.3
105.01855	55.9
108.04482	9.4
109.02862	24.7
117.01845	4.2
126.05499	4.9
127.03898	91.1
129.01843	3.5
145.04939	67.2
145.06076	3.7
147.02887	4.8
148.60899	1.5
159.02867	24.1
210.06728	2.0
213.03966	3.2
225.09044	3.1
230.06619	4.3
231.04980	23.0
248.07672	4.2
249.06041	5.2
253.08612	2.1
260.53781	1.9
266.08447	2.0
284.10004	5.8
284.29471	11.0
285.11102	3.9
309.41302	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.0988
Annotation	guanosine
Peak:m/z	Relative Intensity
55.01868	0.2
56.96550	0.6
57.03416	0.4
58.13947	0.2
69.03416	0.4
70.06577	1.3
70.73461	0.8
73.02905	0.3
75.45522	0.2
84.08158	0.3
85.02891	0.3
86.65789	0.2
97.02876	0.2
98.97614	0.3
100.84039	0.2
109.05129	0.6
110.03526	2.9
110.07155	0.3
111.98000	0.2
116.07078	0.5
128.04585	1.3
133.04892	0.3
134.04575	0.3
135.03008	4.5
136.06181	0.7
136.07582	0.3
150.07701	0.3
152.05659	100.0
153.04066	8.5
153.05992	0.6
224.09189	0.3
224.59309	0.2
228.52242	0.2
284.11237	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1749
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.9
55.05497	1.5
56.96560	1.3
57.03428	1.2
57.97590	0.6
67.05502	2.2
69.03440	1.1
69.07049	2.1
69.64478	3.8
69.64893	1.5
70.06569	2.2
71.04992	0.8
72.08140	2.0
73.06531	1.1
76.86983	0.8
79.05484	2.2
81.03410	1.8
81.07049	1.8
84.08128	3.0
85.02901	1.6
85.06527	0.6
86.09701	1.6
87.04459	2.2
89.06022	100.0
91.05476	1.5
93.07046	1.1
95.04951	1.3
95.08588	1.0
97.06525	1.1
98.21436	0.8
98.97550	1.2
105.03383	1.2
105.07013	0.7
105.83558	0.7
106.06531	0.7
107.04958	0.6
107.07037	4.4
107.08586	1.4
109.02868	0.9
109.10164	1.5
110.07184	0.7
111.04488	0.7
116.98611	0.8
119.04929	1.1
120.08105	2.0
123.04431	1.1
127.03944	0.6
129.06946	0.7
129.10217	0.6
130.06526	0.7
130.08621	1.1
131.07065	0.7
133.08592	37.0
136.06207	1.5
136.07487	1.1
138.09126	3.2
177.11224	5.8
184.79947	0.7
205.09837	0.9
239.14793	1.7
243.53491	0.6
247.10811	1.1
265.11740	1.8
266.13904	0.8
268.97910	0.7
282.58911	1.2
283.05847	0.8
283.08731	1.0
283.13312	1.6
283.17523	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	283.1537
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.6
55.01860	6.6
55.05502	14.9
57.03432	11.1
57.07050	1.7
65.67583	0.8
67.05492	21.7
69.03420	2.0
69.07060	11.1
69.93223	5.4
70.89611	0.9
71.04990	4.1
73.02904	1.8
79.05022	1.7
79.05481	30.6
81.03423	4.4
81.07042	28.1
83.04971	4.3
83.08606	11.6
84.08109	1.3
85.06522	1.9
91.05459	9.6
93.07029	44.5
95.04958	8.4
95.08591	41.1
95.09112	0.6
97.02877	5.6
97.06505	5.5
97.10139	1.0
99.04432	3.3
105.07011	10.7
107.04937	12.4
107.08578	29.8
109.06481	3.8
109.10132	5.2
111.04403	2.4
111.08063	2.4
111.11651	1.0
113.05991	1.1
117.07018	11.7
119.08578	11.1
121.06477	8.1
121.10124	13.4
123.11667	1.3
125.05959	3.2
128.06210	1.2
129.06967	1.6
130.07753	2.6
131.04861	1.5
131.08539	2.3
133.10132	4.0
135.08044	3.1
135.11668	48.4
136.11951	1.1
137.09625	0.8
137.13167	0.9
139.07520	1.7
143.08537	2.3
145.10100	29.5
147.11684	1.0
149.09592	1.1
153.12708	1.3
155.08495	2.0
157.10066	1.9
159.11572	1.1
163.11157	66.6
165.01828	1.1
173.09579	2.6
173.13229	1.1
181.12206	16.9
185.13206	1.0
191.10545	1.0
195.08081	1.1
195.11699	1.7
209.11685	2.7
223.07526	1.1
227.12747	100.0
228.13020	1.6
273.03146	0.9
279.26266	0.8
281.04095	0.9
283.05966	5.4
283.09634	4.5
283.15274	31.4
283.19980	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1689
Annotation	(3S,5S)-trans-3,5-dihydroxy-1,7-diphenyl-1-heptene
Peak:m/z	Relative Intensity
52.29128	1.2
55.01847	1.4
55.05505	8.0
56.05020	3.3
57.03420	1.6
57.07054	3.6
64.62019	1.1
67.05498	12.5
69.07059	14.1
69.82737	1.3
71.04975	1.9
71.08634	1.2
71.40250	2.8
71.40585	1.6
72.20901	1.3
73.06548	1.4
76.16184	1.2
79.05484	8.4
80.20620	1.2
81.07040	12.7
83.04935	1.6
83.08615	3.7
85.06503	1.6
87.93012	1.2
89.06028	3.0
91.05475	14.4
93.07028	12.6
95.04959	2.8
95.08598	8.3
97.06533	2.0
101.06005	2.5
103.05439	1.4
105.07026	5.3
105.75975	1.3
107.08589	8.8
109.10152	1.8
115.05451	9.1
117.07008	12.8
119.08598	2.1
120.56451	1.2
121.10124	3.6
128.06230	5.1
129.06990	32.1
131.08563	4.0
133.10114	1.5
135.08032	2.7
141.06973	83.1
142.07390	1.4
143.08562	7.1
145.06436	3.7
149.09589	1.4
153.06973	20.0
154.07753	14.7
155.08534	100.0
156.08913	2.1
157.10103	1.7
165.06984	3.6
166.07825	2.5
167.08545	20.6
167.10675	1.8
168.09308	2.4
169.10114	42.4
171.11678	1.8
179.08560	5.9
181.10106	19.4
182.10829	1.4
183.11681	5.7
191.08572	2.8
193.10184	1.6
195.11731	1.8
205.10097	4.5
218.11307	1.4
219.11732	2.2
221.13174	2.7
223.14786	2.9
227.10609	1.4
237.16380	3.6
241.12102	1.3
247.14763	12.9
253.27252	2.1
265.15900	8.5
265.27267	3.1
283.16916	56.4
283.20114	2.4
283.28259	19.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1537
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02360	1.0
53.03923	3.1
55.01875	6.0
55.05274	1.1
55.05507	15.0
57.03432	12.9
57.07058	2.0
59.46363	0.9
65.03925	1.9
65.93824	0.7
67.05497	22.4
69.03416	3.7
69.07065	8.3
69.49673	2.7
69.50087	5.2
70.06590	0.9
71.04980	3.9
72.08133	1.6
72.67561	0.9
73.02901	2.0
77.03912	0.8
79.05019	1.8
79.05485	35.8
80.05811	1.7
81.03399	3.3
81.03832	0.7
81.07050	26.6
83.04968	6.6
83.08611	10.2
84.08101	1.0
85.02932	1.2
85.06519	1.5
87.04465	1.4
91.05470	16.4
91.96309	0.7
92.05814	1.0
93.07034	41.3
94.07365	1.2
95.04979	10.2
95.08597	43.4
96.08913	2.3
97.02873	6.3
97.06504	3.5
97.10147	1.7
98.20722	1.8
99.04440	4.7
103.05431	4.7
104.05836	3.9
104.07108	1.1
105.07002	11.4
107.04945	13.3
107.08582	30.3
108.05270	1.8
109.06491	3.2
109.10134	6.1
111.04415	2.9
111.08042	2.4
113.05936	1.2
113.09695	1.0
114.03732	0.9
115.05449	1.6
117.07002	12.9
119.08571	11.9
121.02862	2.4
121.06488	7.1
121.10126	14.8
123.08067	1.5
123.11679	1.2
125.05992	3.8
127.07588	0.9
129.06958	1.5
130.07761	2.6
131.04936	2.1
131.08534	2.3
132.05232	1.0
133.06476	1.1
133.10118	3.6
134.09621	3.6
135.08041	3.2
135.09984	3.5
135.11678	51.4
136.11995	0.9
137.09583	1.2
139.07558	1.6
141.01843	2.3
143.08577	1.3
145.10109	33.5
147.07991	0.8
149.09587	1.0
153.12717	1.6
155.08493	1.6
157.10110	0.9
161.13174	1.3
163.11168	74.1
165.01808	8.6
173.09604	2.7
173.13164	1.0
181.12215	17.4
183.02875	5.7
191.10753	1.5
209.11768	2.4
223.07538	1.6
227.12750	100.0
228.13101	2.4
255.10347	1.0
283.06033	24.6
283.09601	4.1
283.15311	31.9
283.20303	5.6
284.06442	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	283.1538
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.1
54.88354	0.8
55.01872	7.4
55.05506	12.7
57.03206	0.9
57.03438	12.2
57.07059	1.4
65.24055	0.8
67.05501	19.6
69.03411	2.5
69.07065	8.3
69.45958	4.1
69.46382	4.1
70.06595	5.7
71.04979	2.8
71.06908	1.0
72.08157	1.3
73.02907	2.3
73.70798	0.9
79.05029	1.6
79.05491	30.7
81.03403	2.9
81.07048	20.7
83.04982	6.3
83.08620	8.7
85.06519	2.0
91.05481	12.6
93.07040	42.5
94.07390	1.4
95.04953	9.4
95.08600	38.9
95.74789	0.8
96.86443	0.9
97.02878	4.9
97.06540	6.2
97.10175	1.3
99.04470	5.9
103.05429	1.0
105.07030	9.2
107.04953	14.1
107.08589	30.8
109.06509	2.8
109.10133	3.3
111.04420	2.9
111.08053	0.8
114.67152	0.9
117.07024	10.1
119.04925	2.0
119.08575	11.9
121.02853	6.1
121.06507	6.6
121.10120	17.0
123.08055	1.8
125.05991	3.2
129.06976	1.3
130.07762	3.7
131.08522	2.9
131.71657	1.0
133.10132	3.6
135.08034	2.7
135.11690	51.4
136.12094	1.0
137.02278	1.3
139.07547	1.9
141.01830	4.7
143.08507	1.5
145.06424	1.0
145.10127	29.5
149.09549	1.5
153.12782	1.3
155.08591	1.6
163.11180	73.9
164.11572	1.0
165.01828	21.9
173.09613	2.4
181.12231	18.5
183.02881	13.5
191.10674	1.5
209.11810	2.4
227.12772	100.0
228.13016	2.0
280.13687	0.9
283.06009	57.0
283.09271	2.8
283.15427	22.5
283.20627	4.0
284.06448	5.2
288.66611	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.0963
Annotation	7,2'-DIMETHOXYFLAVONE
Peak:m/z	Relative Intensity
51.96037	0.4
55.05486	0.6
57.07055	0.6
65.10765	0.3
68.40948	0.3
69.76748	2.4
70.58097	0.3
71.08615	0.4
79.05480	0.4
80.19200	0.3
81.07063	0.6
89.06053	0.3
91.05450	0.4
95.08539	0.7
101.05979	0.4
105.07002	0.7
109.64249	0.4
111.04369	0.4
118.04156	2.2
119.08537	0.5
121.06481	4.0
121.10121	0.9
122.03626	1.4
133.06424	0.6
133.10194	0.5
141.06979	0.5
151.03845	1.4
165.06958	0.5
168.04167	4.0
169.06425	1.4
181.06462	1.3
184.08810	1.1
195.08157	0.8
196.08847	1.0
197.05969	3.7
198.06754	0.6
208.05182	1.2
211.07503	5.3
212.08261	2.9
214.06209	0.3
225.05383	0.6
227.10643	8.7
227.12849	0.7
239.07010	2.7
240.07793	11.7
241.08139	0.5
251.07025	6.9
267.06485	8.2
268.07260	9.6
269.07529	0.4
283.09622	100.0
284.07022	0.4
284.09854	2.5
301.06186	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1538
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70635	1.1
52.88092	1.1
53.03939	3.1
53.94181	1.0
54.53372	1.1
55.01865	6.9
55.05504	15.3
57.03430	13.1
65.03939	2.3
67.05496	19.6
69.03406	2.2
69.07060	9.9
69.60441	9.7
71.04971	4.0
72.08146	2.4
73.02916	2.4
79.05484	34.2
81.03399	2.7
81.07043	23.4
83.04976	6.2
83.08612	9.8
84.08170	1.9
91.05473	13.6
92.05814	1.6
93.07036	42.7
95.04959	9.7
95.08596	41.8
95.09203	2.5
97.02882	4.7
97.06535	5.5
99.04442	2.9
100.07620	1.3
103.05514	2.3
105.07012	11.0
107.04949	12.0
107.08584	34.3
109.06513	3.4
109.10130	4.5
111.04432	2.0
111.08080	1.4
113.05952	1.8
115.05381	1.2
117.06996	12.4
119.08565	12.2
121.02848	2.7
121.06477	6.6
121.10127	16.1
125.05958	3.8
129.06975	1.6
130.07774	3.5
131.08562	1.5
133.10118	3.1
135.08072	2.6
135.11678	54.8
139.07477	2.0
141.01808	1.8
143.08548	2.0
145.10118	34.4
155.08508	2.1
163.11168	79.0
164.11513	1.6
165.01816	5.9
173.09569	2.4
181.12195	16.0
183.02873	3.1
198.22835	1.2
209.11768	2.7
223.07553	1.3
227.12758	100.0
268.07178	1.7
283.05991	16.3
283.09735	3.3
283.15433	21.7
283.20529	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	282.206
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	0.6
64.69739	0.4
67.05480	0.5
68.73530	0.3
69.07075	0.5
69.77177	2.9
70.06577	0.5
72.08125	0.5
79.05479	1.3
80.05014	2.1
80.05441	0.3
81.07027	2.4
82.06563	0.7
82.22390	0.4
84.04487	0.6
86.06055	0.9
87.04458	16.0
91.05465	0.5
93.07034	3.5
94.06556	0.7
95.08601	1.1
96.08096	1.1
98.06031	1.4
107.08575	1.5
108.08091	2.2
109.08896	0.6
110.08984	0.4
110.09666	2.1
121.10182	0.5
122.09660	2.4
123.10418	0.5
123.11692	0.5
124.11232	0.7
135.11670	2.7
136.07501	0.5
136.11241	1.0
137.13200	0.4
140.31964	0.4
150.12737	3.3
151.13538	1.2
152.14326	15.4
153.14664	0.4
166.08598	3.4
178.12227	0.6
180.10196	1.3
181.10951	1.0
184.09712	0.8
184.13333	0.9
193.99817	0.4
194.11699	3.0
196.13300	1.1
208.13307	4.2
209.14064	1.6
210.14818	0.8
213.39937	0.4
233.17044	0.4
236.16351	0.9
238.17998	100.0
239.18295	2.6
240.17096	0.4
240.19652	1.0
282.20602	70.1
283.20959	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.2789
Annotation	Dodemorph
Peak:m/z	Relative Intensity
52.85484	0.1
54.11315	0.1
55.05506	0.8
57.07072	6.5
59.03734	0.2
61.91110	0.2
62.56989	0.2
67.05499	0.9
69.07078	0.7
70.06586	0.2
71.08630	2.7
71.72760	0.2
72.04487	0.3
79.05482	0.3
81.07039	0.8
83.08602	0.6
85.05285	0.2
85.10178	1.0
93.07065	0.2
95.08609	0.8
97.10144	0.2
98.06021	0.7
106.67568	0.1
109.10123	0.3
111.11736	0.2
115.25819	0.2
119.08606	0.2
128.02847	0.2
134.09642	0.4
145.95496	0.1
186.63718	0.2
196.60507	0.1
243.31897	0.2
282.27902	100.0
283.28287	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	282.1558
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11055	0.2
50.36197	0.2
55.03008	0.2
55.05508	0.5
57.03427	0.5
58.99576	0.6
59.05003	1.5
61.02920	1.4
63.76801	0.2
70.06583	0.4
71.04983	3.4
71.20566	0.5
79.05486	1.3
81.07049	5.7
84.08126	0.3
85.02918	0.3
87.08099	0.7
91.05473	0.9
93.07031	0.3
97.01108	0.2
99.08081	0.6
103.05472	0.3
105.33653	0.2
107.08607	0.3
108.08128	0.3
109.05135	0.7
110.03526	2.9
112.02158	0.3
113.09634	1.1
122.09725	0.3
128.04550	1.9
128.40445	0.2
130.06514	0.3
132.04442	0.3
134.04590	0.4
135.03024	5.0
135.11765	0.4
147.02643	0.3
150.12746	0.5
152.05661	100.0
153.04073	11.1
153.05186	0.3
153.05986	0.8
158.02696	0.8
162.03648	0.4
165.03801	0.3
166.07201	0.4
174.03725	0.4
181.87709	0.3
188.05270	0.3
232.11852	0.7
238.17973	0.6
250.13000	2.5
272.46909	0.2
282.15555	22.5
282.20605	1.3
283.15884	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.1559
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.3
55.05505	0.8
56.96562	0.3
57.03439	0.4
57.07069	0.3
57.42810	0.1
59.04997	0.6
61.02929	0.7
65.03941	0.2
67.05503	0.6
68.05025	0.4
69.03453	0.2
69.07064	0.4
70.06600	1.0
71.04990	8.4
72.08151	0.7
79.05476	1.0
81.03415	0.3
81.07047	3.0
83.08640	0.2
84.04516	0.6
84.08137	1.1
85.02901	0.7
85.04822	0.2
86.03242	0.2
86.06063	0.6
86.09686	0.3
91.05465	0.9
92.05782	0.2
92.82856	0.2
93.07047	0.6
94.06596	0.2
95.04955	0.3
95.08597	0.4
97.02900	0.2
97.06535	0.2
99.08059	0.2
105.03379	0.3
107.08590	0.3
108.08143	0.9
109.05133	0.8
109.08445	0.4
109.10136	0.3
110.03517	3.3
110.04213	0.3
110.07124	0.3
113.09632	4.0
113.10381	0.3
114.05597	0.2
119.08593	0.2
120.08094	2.1
121.01016	0.2
121.02879	0.6
121.06480	0.2
121.10151	0.2
122.09712	0.2
128.04546	2.5
129.10280	0.2
130.05009	0.7
130.06508	0.3
130.07716	0.2
131.05283	0.2
132.48755	0.2
134.04565	0.3
134.09615	0.2
135.03018	2.0
150.07765	0.2
150.12790	0.2
152.05666	100.0
152.14317	0.7
153.04074	9.2
153.06030	0.7
153.14673	0.8
154.02461	0.3
166.07249	0.6
167.05704	0.2
185.51613	0.2
188.69063	0.2
206.02481	0.2
232.11926	0.7
236.09416	0.2
242.95714	0.2
250.12955	0.5
261.50424	0.2
265.16177	0.3
269.58304	0.2
282.15576	6.2
282.18939	0.3
282.22440	1.7
282.27460	0.2
283.15790	0.2
300.06094	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.1545
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.8
54.58199	0.8
55.01857	1.3
55.05502	1.1
56.05025	1.1
56.96553	4.5
57.03424	3.8
58.06597	1.1
58.21601	0.9
58.68051	0.8
60.04031	0.8
60.04518	1.5
61.02921	4.0
67.05487	1.9
69.03425	9.7
69.07038	1.2
70.06577	4.4
71.01369	0.9
71.05008	1.3
71.73357	0.9
71.73785	1.0
72.08147	4.7
73.02901	2.6
73.08494	1.1
74.06083	0.8
81.03412	5.2
81.04520	0.9
81.07053	1.5
83.04985	0.9
83.08613	1.1
84.04499	2.1
84.08124	5.4
85.02898	40.4
85.06541	6.2
86.09702	1.8
87.04468	1.2
91.03946	2.6
91.05431	1.3
95.04958	0.9
97.02889	10.2
98.97581	2.8
99.04462	2.1
107.04967	0.9
109.02865	3.7
110.07149	2.0
112.07678	0.9
112.61262	0.8
115.03915	1.2
116.98608	2.9
119.04878	0.9
120.08084	1.1
121.02881	1.2
121.08440	2.4
125.08163	0.8
127.03897	9.8
133.05061	1.7
134.99649	1.4
135.05363	0.8
136.06172	33.9
136.07315	1.7
137.04565	0.9
143.51334	0.9
144.73477	0.9
145.04945	17.5
147.35626	0.8
148.07558	1.2
149.05904	0.9
150.07738	100.0
152.05675	4.0
153.04066	2.8
156.71040	1.0
158.99628	1.1
163.06017	3.4
177.00702	1.9
177.06442	1.1
178.07210	3.1
180.05154	2.2
186.04401	1.3
191.03905	0.9
192.08829	0.8
195.11340	1.3
196.45287	0.8
210.06438	1.1
219.07890	0.9
229.10815	1.1
236.15816	1.4
257.06750	1.4
268.00018	2.5
268.97702	1.1
269.05035	0.8
276.28305	0.9
282.08441	8.6
282.11871	2.7
282.18954	1.4
282.22180	3.2
284.02991	1.9
285.00989	1.1
300.06165	3.1
301.06042	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.152
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.6
55.05489	1.8
56.05009	0.7
57.07064	0.5
57.34158	0.4
58.99577	5.1
62.05412	0.4
67.05493	3.6
69.07038	1.4
69.61028	3.3
70.06580	12.8
72.08123	0.5
73.01135	0.4
79.05475	3.1
79.49409	0.4
80.05004	2.7
81.07040	3.9
81.07828	0.4
82.06555	1.2
83.08617	0.6
84.08121	0.7
85.01118	0.8
86.00623	1.6
86.99041	3.6
87.02679	2.0
88.02198	1.7
91.05464	2.7
93.05772	2.2
93.07028	1.9
94.06548	1.7
95.08599	3.6
96.08110	0.4
101.04222	1.2
105.00074	2.4
105.07024	2.9
106.06521	1.4
107.07316	0.7
107.08595	2.4
108.08105	24.8
109.10151	2.1
110.09649	1.9
112.02174	3.0
113.04189	0.8
119.08554	2.0
120.08102	2.0
121.08856	1.3
122.09653	4.8
123.11678	0.5
124.02118	0.6
124.11204	1.7
125.04218	0.6
131.08551	0.6
132.01134	2.0
132.08133	0.6
133.10117	2.0
134.02681	0.4
134.09641	1.8
136.11192	1.4
137.04173	1.0
138.03706	1.1
140.05275	2.0
143.08850	0.6
146.02640	0.5
148.11197	2.4
149.25543	0.4
150.05501	0.8
150.12752	1.7
151.05740	0.5
151.14783	1.3
152.05275	0.6
154.06905	0.6
158.02725	0.6
159.04704	0.9
161.13211	1.9
166.06842	4.6
166.08354	0.6
167.08896	0.5
168.08325	0.7
173.06320	1.5
174.12727	0.9
175.07864	0.6
176.14352	4.1
177.15114	1.2
178.15878	4.7
180.08426	2.4
180.09927	0.6
181.09169	1.1
182.02690	1.8
182.10056	0.5
183.03461	1.0
184.04237	0.9
193.10461	0.7
195.12044	1.1
202.15924	0.4
210.05823	1.4
210.13101	2.7
212.07373	32.5
213.07848	0.7
219.11983	0.4
226.09001	0.9
236.14659	2.0
240.10500	0.4
254.11754	0.4
282.15195	100.0
282.20419	2.8
283.05984	0.5
283.15509	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.1519
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	1.1
55.05488	2.8
58.99581	28.4
65.03897	0.9
66.18320	0.6
67.05142	1.2
67.05495	20.6
67.65728	0.5
69.07068	3.3
70.06593	4.1
71.08607	2.0
71.28731	1.6
73.01115	1.6
79.05464	3.2
80.05008	2.3
81.07053	6.8
82.06559	1.6
82.07417	0.7
83.08581	0.8
85.01122	1.4
86.00636	2.9
86.99045	18.5
87.02673	2.2
88.02217	2.2
91.05473	4.1
93.05758	1.8
93.07049	4.8
94.06566	1.2
95.08599	13.5
96.08080	0.8
99.02692	1.0
101.04240	12.3
105.00081	29.6
105.04475	0.7
105.07014	2.6
106.06549	1.9
107.07399	0.7
107.08570	3.1
108.08108	31.1
109.10148	8.6
110.09674	24.7
110.10435	1.5
112.02170	2.6
119.08585	1.6
119.44987	0.8
120.08117	2.4
121.08900	1.3
121.10166	0.7
122.09647	6.8
124.11201	1.0
125.04072	0.7
129.07338	0.8
130.43604	0.7
131.12737	0.6
132.01143	14.5
133.09106	0.8
133.10051	3.5
133.38350	0.7
134.02655	0.7
134.09619	3.1
135.10579	0.8
135.11636	0.7
136.11209	7.6
140.05263	1.4
146.02667	1.2
146.06003	0.9
148.11201	2.5
150.12773	1.2
151.14807	12.0
159.04747	1.0
161.13243	1.5
164.07018	0.7
166.06860	4.2
173.06313	23.8
175.07837	6.3
176.14340	2.2
177.15065	0.7
178.15851	3.7
180.08423	2.8
180.10190	1.9
182.02705	1.6
183.03433	1.0
193.10545	0.7
205.83742	0.6
210.05801	1.2
210.13110	1.2
212.07385	24.5
226.08910	5.0
234.65967	0.7
236.14531	1.0
238.17999	0.8
282.15207	100.0
283.06042	2.1
283.15607	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	282.0968
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70522	0.3
53.25044	0.3
55.87161	0.2
57.03428	1.5
58.02953	5.5
65.03936	1.0
68.99776	0.7
69.88320	0.6
69.88717	1.5
79.05479	1.0
87.00826	0.8
91.05466	58.8
92.05795	0.5
100.33511	0.3
101.02365	3.0
103.05472	1.7
107.04945	1.0
117.05704	0.5
118.06523	6.2
119.03398	4.4
119.07306	11.7
120.08056	0.6
131.04922	0.9
135.04443	1.5
136.07555	100.0
137.07909	1.4
146.05992	0.3
161.57709	0.3
164.07112	0.4
177.10168	0.4
182.08105	19.1
204.06541	2.6
215.91003	0.3
236.09085	2.7
282.09491	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.1195
Annotation	2'-O-Methyladenosine
Peak:m/z	Relative Intensity
55.01858	0.4
56.05025	0.3
57.03418	0.7
59.04976	0.6
61.02903	0.3
69.03429	2.1
69.07053	0.4
70.06271	0.2
70.06580	1.6
71.01363	0.2
71.02000	0.4
71.02351	0.4
72.08129	0.3
75.04462	0.4
79.05473	0.2
81.03417	0.3
84.04469	0.6
84.08121	1.0
85.02892	0.6
85.08410	0.2
86.09692	0.3
87.04462	0.5
88.04028	0.3
94.04022	0.5
97.02892	0.4
98.20976	0.5
98.97544	0.4
101.06030	1.2
110.07153	0.3
112.08630	0.3
113.10825	0.2
115.03927	0.3
118.82487	0.2
119.03527	0.7
120.08076	0.5
129.05513	0.2
129.10237	0.4
134.09666	0.5
136.06166	100.0
137.04562	0.8
137.06578	0.5
147.06560	0.3
150.07700	0.7
170.58847	0.2
184.29510	0.2
282.09122	0.3
282.11923	2.9
282.17953	0.3
282.22067	0.8
284.03281	0.3
300.06171	0.5
301.06226	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.1196
Annotation	N6-Methyladenosine
Peak:m/z	Relative Intensity
52.14376	0.2
55.01867	0.3
56.96548	0.5
57.03435	0.3
69.03420	0.3
70.06589	0.4
71.73640	0.3
72.08134	0.7
73.02898	0.2
83.62865	0.2
84.08139	0.4
85.02889	0.6
97.02852	0.3
97.56815	0.2
98.21373	0.2
98.97563	0.7
99.95624	0.2
104.87537	0.2
109.02846	0.3
109.05122	0.6
116.98587	0.7
119.01891	0.2
133.05106	1.1
134.99678	0.3
150.07738	100.0
151.08112	0.4
152.05624	0.3
195.05055	0.2
203.17821	0.2
261.64795	0.2
277.00769	0.4
282.08875	0.2
282.11920	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	281.2221
Annotation	Methyl aphyllate
Peak:m/z	Relative Intensity
53.03934	1.9
55.01860	1.4
55.05502	13.2
57.03424	7.4
57.07061	1.0
65.03923	1.3
67.05498	21.2
68.05013	3.1
69.03412	1.1
69.07059	5.6
70.06576	3.7
70.90879	1.0
70.91215	0.6
71.04980	0.7
71.74501	0.4
72.08144	100.0
73.06630	0.5
73.08489	1.2
79.05483	21.9
80.05005	24.0
80.53166	0.5
81.03414	2.6
81.07045	15.7
82.07395	0.7
83.04964	6.9
83.06723	0.5
83.08614	3.8
85.02919	0.6
85.06531	1.1
88.67184	0.5
91.05466	14.6
93.05796	0.6
93.07028	15.3
93.07581	1.0
94.06547	4.0
95.04964	5.8
95.05520	0.8
95.08590	10.8
97.06503	1.8
97.10165	2.8
103.05427	0.6
105.04539	0.5
105.07012	11.7
106.06606	0.6
107.04944	1.2
107.08572	4.9
108.08159	1.0
109.06499	2.8
109.10140	3.1
110.73031	0.7
111.08060	1.1
117.07016	2.4
119.08558	6.6
120.08100	2.0
121.06507	1.0
121.08886	1.4
121.10136	1.3
122.09655	22.2
123.08051	2.1
123.11680	0.8
125.09647	0.5
127.07524	0.6
128.06221	0.5
129.06982	4.1
131.08571	0.9
133.06473	1.0
133.08696	0.5
133.10135	3.2
134.09639	12.4
135.10434	0.8
135.11624	0.9
136.11192	1.7
139.61276	0.5
143.08568	1.9
145.10118	3.0
147.08028	0.7
147.11665	7.6
151.79659	0.6
159.11810	0.5
161.09596	1.4
161.13234	3.1
169.10048	0.5
171.11685	5.4
173.13402	0.6
174.12718	2.5
189.12750	2.2
192.13808	10.6
194.15427	0.9
207.13776	2.1
210.14859	26.2
211.15118	1.1
212.16484	2.6
213.20377	0.5
218.18925	0.5
221.07939	0.5
246.18510	10.7
263.21143	2.3
264.19559	45.7
265.19916	1.1
281.17535	4.6
281.22195	55.5
282.17413	0.8
282.22525	1.8
299.06213	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.2474
Annotation	Linoleic acid
Peak:m/z	Relative Intensity
55.05505	66.7
57.07076	31.9
60.26163	5.8
62.71182	6.1
67.05500	71.8
69.07059	100.0
71.00779	17.6
71.05003	7.0
71.08615	16.4
72.04511	6.9
79.05474	25.9
80.85228	6.7
81.07049	76.8
83.08607	70.0
85.06522	18.0
85.10167	8.8
91.05473	26.3
93.07048	36.6
95.08597	81.7
96.82877	6.5
97.06509	14.9
97.10169	66.4
105.07041	30.9
107.08580	25.7
109.10158	41.8
111.08061	9.1
111.11703	21.9
119.08590	33.6
121.10130	27.9
123.08124	6.6
123.11700	27.0
133.10129	33.8
135.11679	12.7
136.69510	5.4
137.13242	7.4
139.11243	6.4
147.11630	19.3
149.13226	15.6
151.14786	7.9
155.14302	7.9
161.13318	13.3
163.14735	8.1
165.16335	6.6
169.09955	7.2
175.14804	15.2
179.14362	8.9
189.16336	5.5
191.77618	6.3
197.13153	14.5
213.12737	14.6
221.22679	13.5
235.14783	10.6
245.22667	50.6
263.17853	15.1
263.23746	30.4
281.18939	70.2
282.27805	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	281.2109
Annotation	12S-HHTrE
Peak:m/z	Relative Intensity
53.03941	7.0
55.01873	51.6
55.02128	6.3
55.05513	34.5
56.05016	5.1
56.96565	4.4
57.03432	5.1
57.07075	24.8
58.02943	3.6
59.95142	4.0
67.05499	59.2
68.05836	6.8
69.03448	4.0
69.07069	41.9
71.04992	5.4
71.08624	18.0
71.75195	4.9
79.05499	35.6
80.05027	4.5
81.03397	11.1
81.07055	53.6
82.06588	7.2
82.07384	7.1
83.04961	27.5
83.08604	15.0
85.06537	10.9
88.93241	3.3
91.05457	36.0
93.07044	29.6
94.06585	6.5
95.04964	15.1
95.08605	44.4
96.08943	7.4
97.05949	6.3
97.06527	72.7
97.10162	8.0
98.10526	4.0
99.08081	20.5
105.07040	20.2
107.04952	8.6
107.08585	16.0
109.06489	7.7
109.10137	15.7
111.08094	5.1
114.61496	3.8
117.06956	3.7
119.08576	17.7
121.10140	13.2
123.08033	3.9
123.11719	4.6
125.09666	4.6
129.06982	7.4
131.08563	5.0
133.10103	23.0
135.08011	4.1
135.11710	6.0
137.09608	14.8
139.11166	4.2
143.08597	5.2
145.10158	8.8
147.11685	15.3
149.09529	7.7
149.13242	6.0
151.02844	3.7
151.11157	26.2
153.89374	4.1
161.13292	9.0
165.12755	11.1
179.47231	3.7
179.50374	3.3
227.17769	4.9
245.19016	6.8
251.25575	8.4
253.91710	4.2
263.20044	70.8
263.25604	6.3
281.18585	5.2
281.21280	38.9
281.26651	100.0
283.02957	4.2
299.06281	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	281.1745
Annotation	Pestalotheol C
Peak:m/z	Relative Intensity
53.03947	6.9
55.01863	5.0
55.05509	31.3
57.03437	30.2
57.07082	1.3
59.85143	1.3
62.45939	1.3
65.03930	6.3
67.05501	86.1
69.03423	1.6
69.07067	18.3
69.92784	1.3
71.04978	4.2
71.38233	3.4
73.06557	2.3
77.03958	1.5
79.05489	100.0
80.69901	1.3
81.03413	11.2
81.07049	64.5
82.07386	1.5
82.51765	1.3
83.04977	35.8
83.08612	11.4
85.06536	3.8
91.05474	64.1
93.07037	71.6
93.66630	1.3
95.04959	27.3
95.08596	40.6
97.06537	6.8
97.10158	5.5
99.08080	1.5
102.60997	1.3
103.05472	1.6
105.07024	50.7
105.07729	2.7
107.04921	6.5
107.08585	18.4
109.06496	8.7
109.10157	7.6
111.08092	2.9
115.05448	2.0
117.07030	9.7
119.08574	28.7
121.06499	3.3
121.10130	5.8
123.08050	9.7
123.11674	2.5
125.05935	1.8
127.07516	1.8
128.06201	2.7
129.06995	16.5
131.08568	3.7
133.10103	12.5
135.08032	1.7
135.11746	2.7
143.08566	9.0
145.10110	12.6
147.08000	2.4
147.11676	40.9
151.07520	1.7
159.08052	1.4
161.09612	5.1
161.13245	15.3
163.11194	2.4
171.11697	29.8
171.13075	2.4
187.93828	1.2
189.12720	10.9
207.13806	10.7
225.14857	1.5
239.16164	1.4
245.15598	2.1
251.46519	1.3
263.16364	4.4
281.17419	30.4
295.20364	1.3
299.06342	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1745
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	9.0
54.91886	1.3
55.01864	7.9
55.05506	40.0
57.03432	34.1
57.07046	5.4
59.04999	1.6
65.03909	4.2
67.05496	88.8
68.04977	2.2
69.03407	3.3
69.06750	2.0
69.07059	23.9
70.06566	3.8
71.04964	4.9
71.75256	1.9
72.08146	100.0
73.06546	3.7
77.03921	1.7
79.05483	99.1
79.34088	1.5
80.05009	20.7
81.03415	11.9
81.07047	73.2
83.04971	31.3
83.08614	13.8
84.08136	2.0
85.06506	5.5
87.04449	1.8
91.05464	64.0
93.07032	74.7
94.06538	3.2
95.04394	2.2
95.04958	28.7
95.08589	49.6
97.02834	2.5
97.06504	5.6
97.10135	7.0
99.08073	3.2
105.04469	2.1
105.06335	2.5
105.07014	51.2
107.04963	6.7
107.08572	19.3
109.06509	12.5
109.10150	15.0
111.08092	3.0
111.11710	1.5
117.07008	12.1
119.08569	32.4
120.08100	1.8
121.06467	4.9
121.10133	7.0
122.09653	21.9
123.08064	12.0
123.11654	5.1
125.09579	3.3
128.06168	5.0
129.06979	18.8
130.07736	1.5
131.08522	5.7
133.06447	1.7
133.10110	14.8
134.09627	14.2
135.07994	2.6
135.11668	6.5
137.09532	2.3
137.13219	5.2
141.09050	1.5
142.07658	1.5
143.08553	11.0
145.10095	12.9
147.07983	4.7
147.11668	39.6
156.09242	1.5
157.10049	1.6
159.08025	1.5
159.11682	3.1
161.09602	7.8
161.13213	13.8
163.11140	2.7
165.09064	1.5
167.43813	1.6
171.11673	32.7
174.12663	1.5
189.12735	9.8
192.13852	10.7
207.13748	12.3
210.14900	27.9
212.16428	2.2
221.12938	1.6
246.18495	11.8
263.16318	2.8
264.19562	49.0
281.12106	2.9
281.17422	23.8
281.22180	58.2
283.03125	1.5
299.06067	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	281.1744
Annotation	Furodysinin hydroperoxide
Peak:m/z	Relative Intensity
53.03943	10.2
55.01859	6.7
55.05505	39.0
57.03432	35.4
57.07075	5.4
65.03931	5.3
65.33340	2.1
66.26593	2.0
67.05144	4.9
67.05498	94.0
69.03420	2.3
69.07060	19.8
71.04985	4.7
71.19229	3.1
71.19574	5.1
72.08144	5.4
73.06532	2.7
75.05721	1.9
79.05484	100.0
81.03413	17.6
81.07048	70.7
83.04980	30.5
83.08611	10.5
85.06497	3.8
91.05470	62.5
93.07036	75.4
95.04955	32.5
95.08589	50.2
97.02909	2.3
97.06572	5.0
97.10133	7.5
103.05445	2.5
103.06134	2.3
105.04480	2.6
105.07025	63.1
106.07344	3.0
107.04942	6.5
107.08578	24.9
109.06527	13.1
109.10143	11.0
111.08045	3.2
112.39654	2.1
117.06996	10.6
119.08566	31.5
121.06483	3.0
121.10153	7.7
123.08073	12.1
124.55499	2.0
127.07612	2.3
128.06204	3.0
129.06984	18.3
131.08560	5.1
133.10117	17.0
135.11668	4.9
143.08528	13.0
145.10103	12.5
147.08052	3.5
147.11664	38.2
150.02748	3.0
156.27359	2.2
161.09550	5.2
161.13246	16.3
171.11670	30.2
179.14330	2.8
189.12772	13.7
207.13799	15.1
254.17546	5.5
263.16373	4.2
266.99857	2.9
281.17444	33.3
281.20618	3.9
283.02972	2.6
299.06226	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	281.1746
Annotation	Furodysinin hydroperoxide
Peak:m/z	Relative Intensity
51.02372	1.4
53.03937	7.3
55.01865	6.5
55.05508	40.7
56.96560	2.5
57.03156	2.1
57.03432	38.3
57.07061	6.1
59.04987	1.5
65.03922	5.0
67.05501	100.0
69.03416	3.7
69.07062	25.3
69.45718	12.8
70.06585	2.6
71.04974	5.1
72.08134	4.4
73.06549	2.4
73.63477	1.5
78.33408	1.3
79.05487	96.4
79.44041	1.3
81.03413	13.3
81.07050	78.5
82.07352	1.6
83.04972	30.3
83.08621	14.3
84.08102	1.9
85.02863	1.6
85.06522	4.6
87.04426	2.0
91.05474	73.5
93.07037	82.7
95.04955	29.9
95.08602	49.7
96.08938	1.3
97.02837	1.2
97.06526	7.7
97.10162	7.6
98.20631	2.9
98.97582	1.6
99.08077	2.8
103.03908	1.2
103.05485	2.0
105.04547	1.5
105.07023	57.0
107.04953	5.9
107.08581	24.1
109.06530	9.0
109.10127	10.8
111.08066	3.1
113.09644	1.8
114.10264	1.3
115.05437	2.2
117.07011	12.3
119.08569	34.4
121.06467	4.2
121.10144	7.1
123.08064	11.3
123.11703	4.1
125.09638	1.6
127.07576	2.9
128.06206	4.0
129.06990	18.5
131.08557	5.3
133.06462	2.3
133.10107	16.7
135.08032	2.3
135.11668	5.0
135.74107	1.1
137.09613	1.6
137.13248	1.7
143.08546	9.4
145.10139	13.3
147.08038	3.6
147.11667	42.0
150.53282	1.2
151.11249	1.5
156.09285	1.5
159.11726	2.3
161.09579	6.0
161.13260	19.8
163.11134	2.5
171.11673	32.3
177.00706	1.9
177.16428	1.2
181.09991	1.2
183.11705	1.3
189.12724	13.1
207.13788	11.1
213.01122	1.3
218.67068	2.2
225.14783	1.8
237.02853	3.4
241.18044	3.0
245.22656	1.5
250.18571	2.0
255.03891	4.1
257.13940	2.3
259.09491	1.2
263.17563	3.0
263.23868	1.4
272.14413	1.6
272.17941	1.9
281.12027	2.5
281.14960	2.0
281.17419	37.5
281.22485	2.5
283.03067	2.1
299.06024	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	281.1743
Annotation	Furodysinin hydroperoxide
Peak:m/z	Relative Intensity
53.03947	8.7
53.99028	1.3
55.01854	5.2
55.05503	35.2
57.03162	1.9
57.03429	34.5
57.07046	3.4
65.03922	5.4
67.05496	85.7
69.03439	3.0
69.07055	17.9
70.92962	2.9
71.04964	4.8
72.08134	3.9
73.06541	2.4
77.03877	2.2
79.05483	100.0
81.03412	12.8
81.07043	63.6
83.04506	2.7
83.04965	35.1
83.08598	8.3
84.08123	2.3
85.02882	2.5
85.06544	4.1
89.68785	1.7
91.05467	59.1
93.07030	71.1
95.04958	33.5
95.08003	2.9
95.08590	43.7
97.06505	7.2
97.10133	7.7
103.05436	2.8
105.06329	3.4
105.07016	47.4
106.07294	1.7
107.04904	3.3
107.08579	23.2
109.06510	8.6
109.10137	11.2
111.08091	2.3
115.05442	2.2
117.06995	11.6
119.08561	31.0
121.06498	3.2
121.10123	5.6
123.08067	11.7
124.59170	1.9
127.07496	2.2
128.06201	3.8
129.06985	20.0
131.08505	5.4
133.06485	1.7
133.10081	11.8
135.08055	2.6
135.11665	3.8
143.08568	10.4
145.10083	10.4
147.08032	3.7
147.11655	36.8
157.10138	1.7
161.09596	6.4
161.13249	15.4
163.11206	2.1
171.11655	24.8
179.14157	1.5
189.12689	11.2
197.93477	1.5
198.97316	1.7
199.14993	1.6
207.13724	10.0
235.16862	1.6
263.16400	5.6
281.17429	33.2
281.21979	1.9
297.54373	2.0
299.06174	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1744
Annotation	Pestalotheol C
Peak:m/z	Relative Intensity
53.03929	7.3
55.01865	3.5
55.05503	38.5
57.03163	2.9
57.03431	43.0
57.07072	3.7
65.03921	5.1
67.05498	91.3
69.03414	3.0
69.07057	19.5
69.91003	7.4
69.91426	4.3
70.06576	3.4
71.04984	5.7
72.08134	3.3
73.06570	3.1
79.05486	100.0
81.03433	10.3
81.07046	74.1
83.04510	2.7
83.04971	36.6
83.08622	11.0
84.08103	2.2
85.06524	3.8
91.05466	69.5
93.07034	75.3
95.04965	32.3
95.08593	46.9
97.06528	7.8
97.10168	9.2
98.64927	1.9
103.05501	1.7
105.04511	1.7
105.07018	56.1
107.04947	7.0
107.08585	26.9
109.06518	16.1
109.10153	9.1
115.05450	2.0
117.07002	11.0
119.08568	34.3
121.06494	4.1
121.10131	5.5
123.08057	29.8
125.09555	2.1
127.07565	2.8
128.06229	2.9
129.06982	17.8
131.08557	3.9
133.10100	12.9
135.08026	3.4
135.11647	4.0
137.09610	2.1
143.08562	10.8
145.10124	12.9
147.08041	4.4
147.11661	38.9
149.02327	3.9
151.07530	7.5
159.07988	2.2
159.11630	1.8
161.09608	5.1
161.13242	17.6
163.11131	1.9
165.09140	2.7
171.11659	28.6
184.18274	1.6
185.09592	1.8
189.12788	9.7
199.14815	3.6
207.13797	10.2
217.15939	2.4
235.16887	3.1
245.15428	4.1
253.52782	1.6
254.17583	2.4
263.16382	24.2
266.99969	2.7
281.17441	31.4
281.22647	2.3
299.06345	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.0991
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81253	0.2
55.05503	0.4
55.52530	0.2
56.05027	0.8
56.96573	0.2
57.03443	0.2
60.01270	0.2
66.04696	0.2
67.05492	0.5
69.03407	0.3
69.07054	0.4
70.06581	0.9
71.23308	0.4
71.23653	0.3
72.08150	1.3
74.06071	1.7
76.23369	0.2
79.05481	0.3
81.03396	0.4
81.07069	0.8
84.04488	0.7
84.08143	0.6
85.02895	0.4
86.09689	0.5
87.04434	0.2
91.05425	0.3
91.57105	0.2
93.07033	0.4
94.04048	0.3
95.04955	0.3
95.08607	0.6
97.06577	0.2
99.04447	0.2
102.05529	0.9
105.07011	0.4
107.04913	0.4
107.08576	0.3
108.08103	0.8
109.05172	0.2
109.10211	0.3
110.07124	0.2
111.04412	0.2
115.05399	0.2
116.98563	0.2
117.06972	0.2
119.03547	4.6
119.04844	0.2
120.06576	5.0
120.08002	0.3
121.03682	0.2
123.04395	0.2
129.10217	0.3
130.04991	1.0
131.04915	0.6
135.08095	0.2
136.06175	100.0
137.04582	3.9
137.06497	0.7
137.09605	0.2
147.04369	0.3
147.09155	1.0
148.04793	0.2
150.12744	0.3
152.14326	0.8
161.05853	0.2
162.04100	55.0
163.04442	0.5
210.14915	0.3
235.09447	0.2
238.14404	0.4
255.03740	0.2
266.99808	0.4
281.09897	8.9
281.14972	1.7
281.18503	1.0
281.21829	0.3
282.16992	0.4
283.02927	0.5
299.06110	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.0989
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	0.9
55.40419	0.6
56.05018	1.6
56.96542	0.7
57.07054	1.1
60.58134	0.7
67.05485	2.2
69.03411	1.7
69.07064	1.9
69.61241	5.7
70.02945	0.7
70.06577	2.2
71.04966	1.1
71.08595	0.8
72.08132	2.0
73.02875	0.6
73.04765	0.9
74.06062	2.5
75.04875	0.7
79.05482	2.3
81.07056	3.1
83.08606	1.0
84.04494	1.6
84.08130	2.1
85.02908	1.4
85.06532	1.0
86.09692	1.3
88.03977	2.5
91.05379	1.6
93.07013	0.8
95.04932	0.8
95.08577	1.4
97.02828	0.8
97.10142	0.7
97.93124	0.6
98.97517	0.6
102.05523	1.3
103.05434	1.0
106.06520	2.2
107.04897	1.4
109.10132	1.3
112.11229	0.7
116.07043	0.9
119.03527	4.8
119.04862	0.7
119.08633	0.7
120.06599	6.7
120.08088	13.4
121.08463	0.8
123.09143	1.2
124.25356	0.9
131.08633	0.7
133.07597	1.6
134.06010	2.5
136.06168	100.0
137.04630	3.6
145.06384	0.9
147.04329	0.7
149.05901	0.8
150.07724	2.1
151.02898	1.0
151.08664	1.6
162.04094	55.5
166.08661	3.2
175.08702	1.5
200.07092	1.9
216.12479	0.8
217.13330	1.6
221.09235	1.2
227.02284	0.8
227.11768	1.4
231.60216	0.7
235.10797	3.0
235.14426	2.3
245.12889	1.6
263.10062	1.1
263.13876	0.7
266.99857	3.2
281.09750	7.0
281.14868	10.8
282.08527	0.7
283.03061	4.2
298.80951	0.8
299.06104	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	280.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	1.0
56.05799	0.4
56.96532	0.4
57.07072	0.4
58.28188	0.3
58.99588	0.3
59.04992	0.6
61.02915	0.9
67.05495	1.0
68.05827	0.4
69.07027	0.5
70.02985	0.3
70.06596	2.1
71.04980	0.9
71.74554	0.5
72.02010	0.3
72.08141	1.3
79.05464	0.6
81.07036	2.9
82.04034	0.4
83.06082	0.4
83.08610	0.4
84.04507	0.9
84.08126	4.9
85.02876	0.4
86.09702	2.4
86.99036	0.5
87.05576	0.6
88.03973	1.2
91.05448	0.7
93.07009	0.5
94.04035	0.8
95.04935	0.6
95.08588	0.7
96.08057	0.4
106.25315	0.3
107.13434	0.4
108.05609	0.4
109.05111	3.1
110.07134	0.5
114.46421	0.3
116.01624	0.7
116.07078	0.3
121.02804	0.4
129.10229	0.8
133.05075	2.7
133.06062	0.8
135.05486	0.4
147.04367	0.5
149.02325	3.2
150.02679	2.9
150.07735	100.0
151.08049	0.6
162.02216	0.7
163.02504	0.8
188.05298	0.4
248.15044	29.3
249.15186	0.4
262.10809	0.6
263.11346	0.6
266.99899	0.4
280.06311	1.1
280.17679	45.8
281.18011	1.3
283.02795	0.4
299.06186	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.2681
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	3.4
54.80833	1.1
55.01849	2.3
55.05509	71.9
57.03414	3.2
57.07073	47.7
65.03927	3.8
67.05502	72.4
69.07065	100.0
69.53553	8.9
71.04996	5.7
71.08630	17.3
79.05490	28.6
81.07053	86.9
83.04940	2.0
83.08616	70.7
84.08945	1.7
85.06523	4.6
85.10172	8.0
91.05457	4.8
93.07040	34.9
95.04936	3.4
95.08601	76.9
96.08974	1.5
97.06516	16.0
97.10165	50.0
98.20699	2.2
99.08058	5.6
105.06987	1.8
107.08582	26.3
109.10154	40.5
111.08073	15.8
111.11717	21.8
113.09623	3.5
119.01820	1.0
121.02856	4.3
121.10136	44.5
123.11700	16.8
125.09617	4.0
125.13280	6.6
127.11207	1.4
135.11684	35.5
137.13243	4.9
139.11212	2.5
143.14340	1.4
146.57959	1.1
149.02338	92.7
149.13249	19.6
150.02658	3.4
151.14758	4.4
163.14825	11.2
165.16354	5.1
167.03435	1.6
177.16368	5.2
179.17940	4.3
191.17967	3.3
191.38571	1.2
200.90601	1.3
205.08545	1.2
205.19551	2.2
219.05717	1.7
261.22824	2.2
261.25769	36.7
279.09265	3.2
279.23361	4.6
279.26813	89.1
280.26877	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	280.1211
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.8
55.01857	2.2
55.05507	3.5
56.05026	2.5
56.96561	1.7
57.03421	2.1
57.07077	1.0
58.07400	0.5
58.99580	4.2
61.01142	2.1
65.99963	0.4
67.05499	6.0
68.05830	0.7
68.24352	0.5
69.03414	1.5
69.07053	4.0
69.80466	3.7
70.02937	0.6
70.06575	3.4
70.99559	0.7
71.04990	0.8
71.08614	2.0
72.08155	0.7
73.01141	0.5
73.02905	5.1
74.00656	35.9
74.02431	1.7
76.02213	1.1
79.05460	0.7
81.03394	0.8
81.07042	1.8
82.06560	1.9
83.08609	2.1
84.04486	0.5
84.08121	2.6
85.01115	4.4
85.02893	1.5
86.00642	1.6
86.09698	3.0
86.99040	3.5
87.02682	1.1
88.02191	2.0
88.03987	7.3
89.00596	5.5
91.05467	2.2
92.01685	2.4
93.07034	6.0
93.37218	0.5
95.05016	0.5
95.08597	31.3
97.01122	0.7
97.02866	1.1
98.33123	0.6
98.97585	1.3
99.02712	0.9
99.08106	2.3
100.02189	1.0
100.11252	1.0
100.70390	0.5
103.05448	2.5
105.00074	3.2
105.07010	0.9
109.10148	0.7
110.07187	0.6
112.11211	2.7
113.09644	3.1
114.00116	0.8
116.01659	2.0
116.98585	1.0
119.04907	0.8
119.08596	1.3
120.01151	100.0
120.08086	5.4
121.01465	0.6
121.08446	4.1
121.36478	0.5
123.08031	4.7
127.05769	6.7
128.01611	0.8
129.07062	0.9
129.10184	1.1
131.01520	0.5
131.04912	2.8
132.01151	3.7
133.02852	0.7
134.02686	0.6
134.72545	0.5
134.99632	0.7
135.04350	0.7
136.11272	0.6
137.05954	1.6
141.09093	3.7
142.03201	1.0
146.02643	0.6
147.04401	1.9
148.20587	0.5
149.02324	5.2
150.02660	5.4
152.93782	0.5
153.07350	0.9
155.05235	1.3
157.06528	0.7
159.10243	0.6
162.02164	0.7
163.00612	2.2
163.07524	0.9
168.03828	0.5
168.15759	0.5
170.09988	3.8
171.08377	1.3
173.06320	0.6
174.02205	1.6
189.09192	0.7
192.08864	0.7
198.09471	2.9
199.07870	2.8
216.10500	12.0
217.08904	5.2
219.01759	0.7
220.08371	0.6
221.01184	0.7
222.02016	2.3
226.08875	0.7
227.07346	1.4
237.02776	1.3
240.03038	1.7
241.03540	0.6
244.10011	20.6
245.08423	6.3
252.10986	1.7
260.46887	0.5
262.11072	12.1
263.09430	10.6
280.12100	7.6
280.15417	1.7
299.06082	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.2315
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
52.86894	0.8
53.03930	1.0
55.05504	6.8
55.27556	0.8
57.07061	3.3
60.69859	0.9
64.39095	0.9
65.03927	2.6
67.05495	99.4
69.07062	8.6
70.09404	3.6
71.04964	1.2
71.08607	1.2
73.86293	0.9
79.05481	12.6
81.07047	100.0
81.72402	0.8
82.07355	1.0
82.96657	1.1
83.04971	1.5
83.08601	4.3
85.06538	1.4
91.05450	3.8
93.07024	12.0
95.04937	1.5
95.08594	77.4
97.06541	1.4
97.10170	2.1
98.20756	1.0
98.21302	2.0
105.07005	3.8
107.08587	8.2
109.06525	1.1
109.10140	27.4
111.11717	1.3
117.07013	1.1
119.08572	3.0
121.10127	7.2
123.08004	1.3
123.11694	16.1
127.07495	1.1
131.08543	5.2
133.10100	3.4
135.11655	5.7
137.09586	1.9
137.13243	12.4
145.10118	2.9
147.11655	2.7
149.02315	12.8
149.09579	1.7
149.13248	4.5
151.11139	1.6
151.14801	2.8
153.09084	1.1
153.91849	0.8
159.11687	3.4
161.13251	2.4
163.11147	1.6
163.14793	2.3
165.16348	1.2
165.56543	0.9
167.10625	1.2
173.13239	7.2
177.12646	2.2
179.14238	1.1
187.14793	3.1
191.14326	2.7
195.13792	2.6
209.15366	3.0
219.05713	0.9
223.16936	2.9
243.21141	2.0
261.22040	2.9
261.74844	1.1
279.23166	20.0
280.23373	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.2315
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
53.03940	1.7
53.41811	0.6
55.05503	7.7
61.34090	0.7
63.82185	0.7
65.03938	2.1
67.05497	100.0
68.05849	0.7
69.07062	8.2
70.88566	2.2
71.04972	1.1
79.05485	12.3
81.07047	97.5
81.87354	0.7
83.04946	1.1
83.08605	4.3
85.06528	1.4
91.05480	3.6
91.53635	0.7
93.07039	10.6
95.04960	1.5
95.08597	75.9
96.08926	0.8
97.06513	1.2
97.10152	2.1
105.07015	3.0
105.71655	0.8
107.08602	6.6
109.10144	20.9
111.11740	0.8
117.06939	1.3
119.08549	2.4
121.10149	5.3
123.08036	1.2
123.11688	11.8
127.07513	1.0
131.08553	4.6
133.10085	2.4
135.08072	1.2
135.11687	5.1
137.13235	7.9
139.11050	0.7
145.10117	1.8
147.11661	3.0
149.02350	1.7
149.09637	1.3
149.13269	3.4
151.11171	0.9
151.14755	2.1
159.11662	3.0
161.13220	1.8
163.11125	1.0
163.14774	2.0
165.12712	1.1
173.13240	5.1
177.12714	2.6
181.12164	1.9
187.14767	2.0
191.14249	2.3
195.13742	2.3
209.15297	3.1
222.43765	0.7
223.16818	1.8
232.98079	0.9
243.20995	2.6
261.22110	2.3
261.61893	0.8
279.20218	1.0
279.23141	16.4
280.23593	1.0
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	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
52.83967	0.7
53.03953	0.7
55.05510	7.4
57.07071	2.9
57.12711	0.7
59.27495	0.7
59.84023	0.7
65.03944	2.4
67.05499	100.0
67.62347	0.7
68.05816	0.9
69.07058	8.0
71.01105	2.2
71.05003	1.0
71.08615	0.9
79.05486	12.2
81.07049	97.0
82.07372	1.1
83.04985	1.6
83.08595	5.2
85.06538	2.3
91.04977	0.6
91.05466	3.8
93.07037	10.6
95.08598	73.7
96.08894	1.2
97.06507	1.4
97.10165	2.3
99.08038	0.7
105.07009	3.0
107.08582	7.5
109.06509	1.1
109.10149	23.4
111.11737	1.2
117.07001	1.6
119.08580	2.5
121.10143	6.7
123.08047	1.3
123.11694	14.7
127.07524	1.2
131.08572	5.4
133.10115	1.8
135.11691	4.9
137.13239	9.9
141.12744	1.1
145.10095	3.3
147.11673	2.3
149.02319	6.9
149.09625	1.7
149.13246	3.2
151.11140	0.8
151.14783	4.3
159.11656	2.2
161.13249	1.7
163.11154	1.4
163.14810	1.5
171.28375	0.8
173.13258	5.7
177.12714	2.6
177.16164	1.0
181.12202	2.0
187.10405	0.7
187.14754	2.8
191.14218	3.0
195.13797	2.6
196.70410	0.7
209.15302	3.2
223.16870	2.1
243.20970	1.7
261.22150	3.8
279.23181	20.6
300.14923	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.2316
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
53.03947	1.5
55.05508	9.0
57.07074	3.1
65.03939	2.3
67.05499	100.0
68.05839	0.7
69.07059	8.4
69.76720	1.5
69.77145	2.6
71.04976	1.3
71.58893	0.7
79.05490	12.2
80.36861	0.6
81.07048	99.2
82.07375	1.0
83.04978	0.8
83.08615	4.1
85.06530	0.6
91.05485	2.8
93.07041	9.4
95.04954	1.4
95.08598	67.8
96.08925	0.8
97.10145	3.1
98.20715	1.3
98.21366	1.2
99.08111	1.1
105.07037	2.3
107.08598	5.6
109.10144	36.1
110.10548	1.0
111.11732	1.2
119.08605	2.2
121.10124	4.0
123.08048	1.3
123.11693	23.0
131.08592	2.0
133.10117	1.7
135.11705	3.0
137.09579	0.9
137.13239	8.2
145.10106	2.1
147.11687	1.3
149.02335	8.6
149.09567	0.9
149.13255	1.9
151.11075	0.6
151.14845	2.1
159.11710	1.7
161.13310	0.9
163.11172	1.1
163.14861	1.4
167.10674	1.0
173.13272	2.5
177.12778	1.6
179.14439	0.8
187.14821	1.3
191.14333	1.4
192.13939	0.7
195.13663	1.4
201.16389	0.8
205.15952	1.3
209.15381	1.5
219.20998	0.7
223.16914	1.9
243.21057	1.4
261.22119	2.3
279.23181	27.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.2316
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
55.05499	9.1
57.07062	5.5
64.41719	1.4
65.03922	3.6
67.05500	100.0
69.07067	7.9
70.68309	4.4
71.04974	1.5
71.08636	1.2
76.89818	1.3
79.05500	10.0
81.07050	99.1
82.07395	1.6
83.05002	1.3
83.08626	5.8
91.05478	4.5
93.07044	8.9
95.08598	74.3
96.08933	1.6
97.10180	2.6
105.07014	3.0
106.23018	1.3
107.08598	6.3
109.10152	41.4
110.10471	1.4
111.11700	1.4
119.08596	2.5
121.02833	1.5
121.10140	5.7
123.10883	2.3
123.11702	25.7
131.08563	2.2
133.10124	2.2
135.11662	3.4
137.13234	9.6
145.10197	2.1
147.11760	1.4
149.02350	18.4
149.13300	2.4
151.14853	2.2
173.13252	2.4
181.12172	1.7
187.14789	1.6
195.13959	1.9
209.15364	1.6
223.16930	3.2
243.21111	2.1
257.96182	1.4
261.22150	4.2
279.09216	1.8
279.23193	32.4
289.66388	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.2316
Annotation	Gorlic acid
Peak:m/z	Relative Intensity
53.03948	2.2
55.01858	2.1
55.05507	12.2
57.03430	2.2
57.07069	18.3
57.31105	0.6
61.09216	0.7
65.03926	3.6
66.51356	0.7
67.05500	100.0
69.07063	13.8
70.71248	1.5
70.71606	2.0
71.04971	2.3
71.06359	0.8
71.08622	1.4
79.05486	17.2
81.03393	0.9
81.07052	94.0
82.07382	0.9
83.04978	2.8
83.06426	0.7
83.08614	8.9
85.06526	2.0
85.10175	36.0
89.06034	1.8
91.05477	15.4
93.07040	18.4
93.07594	1.5
95.04972	2.9
95.08601	77.2
96.08948	1.8
97.06516	2.3
97.10163	4.5
99.08092	1.1
99.25874	0.9
105.07010	9.3
107.08593	12.2
109.06487	1.9
109.10150	41.2
110.10506	0.8
111.08098	2.6
113.09641	40.7
117.07008	2.1
119.08588	3.9
121.02879	1.2
121.06485	1.3
121.10134	9.9
123.08068	1.8
123.11702	20.7
131.08542	5.1
131.10681	2.4
133.10115	18.4
133.11028	1.4
135.08015	1.7
135.11684	5.9
137.09596	1.3
137.13243	6.8
145.10150	4.1
147.11678	3.4
149.02333	42.1
149.09648	5.3
149.13239	15.3
151.11179	6.3
151.14813	2.9
153.12750	2.2
159.11642	3.8
161.13301	2.4
163.11150	1.6
163.14819	2.6
165.12752	1.7
165.16435	0.9
167.10649	1.0
167.14333	7.7
173.13257	3.9
174.53542	0.8
176.28897	0.7
177.12831	1.9
181.12222	1.4
187.14845	2.8
191.14249	1.0
192.44542	0.8
195.13692	1.1
205.15764	1.2
209.15413	2.3
223.16951	2.8
233.22665	1.4
237.18578	1.3
243.21071	6.0
251.23877	0.8
261.22089	10.7
279.09531	1.1
279.19608	8.5
279.23193	42.6
280.23666	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1953
Annotation	Panaxjapyne C
Peak:m/z	Relative Intensity
52.21155	1.1
53.03924	0.8
55.01864	4.4
55.05505	14.7
56.96542	0.8
57.03423	2.0
57.07069	13.2
65.03929	3.2
67.05141	2.0
67.05498	39.3
69.03424	5.3
69.07063	8.9
69.60909	7.8
71.04981	3.0
71.08609	2.7
79.05484	19.7
81.03405	1.6
81.07050	34.0
83.04968	3.6
83.08617	5.1
85.06531	1.2
91.05473	19.0
93.06152	1.0
93.07047	22.1
95.04958	9.6
95.08594	30.1
95.09204	1.8
97.06508	3.8
97.10168	2.6
99.08107	1.6
105.07022	15.3
107.04943	6.0
107.08590	14.1
109.06539	6.2
109.10143	14.7
111.04430	1.7
111.08065	1.6
112.08473	1.1
115.05462	1.1
117.07013	7.8
119.04895	1.1
119.08582	14.3
120.08891	1.2
121.02845	6.5
121.06480	7.3
121.10118	8.4
123.08043	3.7
123.11687	3.6
124.08694	0.9
125.09627	1.2
129.06972	2.6
131.08568	11.2
133.06483	3.1
133.10112	11.2
135.08052	6.7
135.11694	5.9
137.06003	1.1
137.09610	15.3
137.13242	2.2
141.06972	1.4
143.08572	2.5
145.06461	2.5
145.10118	7.9
146.99713	0.9
147.08031	4.6
147.11633	5.3
149.02328	100.0
149.09621	9.1
149.13232	2.4
150.02641	2.0
151.11214	1.6
157.10010	1.2
159.08086	4.1
159.11688	5.6
161.09619	4.4
161.13324	1.7
162.02202	1.0
163.11171	3.4
167.03375	3.0
169.10147	1.6
171.11768	1.7
173.09570	2.6
173.13312	2.7
177.00717	1.1
177.12799	2.2
183.11662	1.7
187.11180	3.0
190.04962	1.5
191.14250	1.2
201.12733	2.1
201.16368	2.6
207.13797	1.3
215.17975	3.4
219.01619	1.1
219.05693	3.1
219.13739	0.9
225.16403	4.0
233.19057	3.2
243.17424	12.0
243.21205	1.7
261.18488	76.2
279.09467	5.0
279.19540	21.6
279.23074	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	279.1702
Annotation	H-Ile-Phe-OH
Peak:m/z	Relative Intensity
52.87634	0.4
55.05493	0.4
56.30860	0.4
57.07067	3.2
58.06589	0.5
65.03947	0.5
67.05498	2.6
69.07059	11.4
70.06577	1.6
70.69580	0.3
70.69915	1.3
72.08137	1.3
79.05486	0.9
79.69237	0.4
81.07053	2.1
84.08144	0.8
85.02898	0.5
85.06525	0.4
86.09696	100.0
87.10034	0.5
91.05476	2.8
93.07030	0.9
94.15749	0.4
95.04951	0.5
95.08580	2.1
103.05441	0.5
105.07047	1.0
107.08572	0.6
109.06491	0.4
109.10146	0.9
119.08576	0.6
119.14138	0.4
120.08092	8.0
121.02858	1.3
123.11701	0.8
127.41740	0.4
129.10178	0.5
129.46906	0.4
131.08501	0.4
133.10078	0.6
136.07597	0.9
146.05939	0.5
147.04430	0.7
149.02324	25.8
149.09625	0.5
150.02769	0.4
160.44186	0.4
166.08612	5.2
167.03392	0.8
237.03281	0.6
242.19667	0.4
251.10553	0.8
261.12332	0.4
279.08218	1.2
279.14005	0.4
279.17075	2.9
279.20660	2.7
279.23300	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1702
Annotation	H-PHE-LEU-OH
Peak:m/z	Relative Intensity
50.30642	0.4
50.33871	0.6
55.05491	0.5
57.06837	0.5
57.07073	6.7
63.33213	0.4
65.03925	0.6
65.19859	0.4
67.05491	1.9
69.50523	3.1
69.50946	1.7
69.94386	0.6
70.06580	2.1
72.08157	0.8
79.05483	0.6
81.07034	1.8
84.08121	1.5
86.09698	57.6
91.05460	1.9
93.07041	2.9
95.08570	1.8
98.21414	0.8
98.97569	2.1
103.05458	5.2
103.29758	0.5
107.04956	0.5
109.10128	0.8
116.98615	1.5
117.07035	0.7
120.08091	100.0
121.02890	2.4
121.08447	1.6
121.10040	0.5
123.11668	0.5
128.98535	0.6
129.10201	0.7
131.04880	0.6
132.10201	1.0
134.99670	0.7
139.38455	0.5
149.02328	38.7
157.54860	0.4
158.99721	0.5
160.16617	0.5
166.08646	5.7
167.03394	0.9
177.00700	1.1
191.08536	1.3
219.08066	1.1
233.16513	1.5
235.07690	0.6
235.96327	0.5
247.07701	0.7
251.10728	2.2
264.07687	0.8
279.10223	2.9
279.17020	4.6
279.23306	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.137
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	0.8
55.01863	0.8
55.05506	33.2
57.07065	3.8
58.99294	1.3
58.99572	17.2
60.04497	0.9
67.05476	3.3
69.61552	1.6
69.61974	4.3
70.06575	1.7
73.01118	1.5
76.02242	4.7
76.03988	3.2
81.07027	4.7
83.08608	28.8
84.04470	0.8
86.09667	1.1
86.99040	12.8
88.02188	3.9
91.05453	2.0
93.24498	0.7
95.08585	2.9
95.34968	0.7
98.39684	0.7
101.09650	1.5
105.07059	0.9
106.31280	0.6
107.08551	1.5
109.10116	1.5
115.05730	0.8
116.01661	51.9
120.08063	1.1
121.02835	2.3
123.04388	4.3
123.11680	1.1
129.10202	1.0
130.04996	1.1
135.07947	0.9
144.01114	25.1
144.02260	1.3
144.94563	0.8
145.06450	2.3
147.04384	2.2
149.02316	27.4
149.07451	0.9
151.23897	0.8
159.08371	8.6
162.02177	100.0
165.05511	1.1
167.03471	0.7
173.05910	1.1
179.04863	0.8
179.93988	0.7
244.09959	1.8
262.11063	18.6
279.09387	1.1
279.13565	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	279.1012
Annotation	Dihydroisotanshinone II
Peak:m/z	Relative Intensity
55.01864	0.5
56.96544	0.8
57.07072	3.6
65.03921	0.4
67.05496	1.5
70.06573	0.7
71.40042	0.7
76.14864	0.3
79.05493	0.6
81.07054	1.7
85.02853	0.3
86.09686	0.5
91.05470	2.2
93.07025	0.4
95.04967	0.6
95.08601	1.3
98.97569	3.8
103.05442	1.2
105.07024	0.4
107.04928	0.4
109.10139	0.5
111.04360	0.3
115.05449	0.8
116.98613	3.0
120.08099	3.9
121.02836	1.0
121.08446	1.1
123.11707	0.3
128.06221	0.7
129.06999	4.1
131.04904	0.8
131.08519	1.0
133.32639	0.3
134.99634	1.7
137.05943	0.4
145.06458	0.8
146.99667	0.5
147.08047	0.4
149.02325	23.5
151.03882	0.3
153.06940	0.4
155.04904	1.2
158.99614	1.0
161.05942	1.3
163.03842	0.5
165.06976	2.7
166.07652	0.5
167.03294	0.6
171.04396	0.6
177.00731	2.0
177.06993	0.5
178.07802	0.6
179.08527	1.3
180.09300	1.1
189.00760	0.4
189.05309	0.5
189.06964	6.3
190.07756	29.3
191.08539	43.8
192.08894	1.2
193.06404	0.6
195.08195	0.3
200.06227	0.3
201.06969	0.8
202.07758	2.0
203.08531	1.5
205.06473	2.0
205.08369	0.4
206.07133	0.3
207.08051	4.1
208.08821	5.1
208.56642	0.3
209.09267	0.4
215.08566	0.5
217.06461	1.2
218.07260	15.9
219.08031	56.6
220.08743	6.1
221.06020	1.8
221.09618	0.8
222.06618	0.4
223.11121	0.6
229.07567	1.2
231.08009	1.2
233.09572	1.2
234.06775	0.5
235.07495	6.1
236.08308	14.8
237.08908	1.0
240.34138	0.3
246.06758	1.9
247.07529	21.9
248.08215	3.6
249.05515	0.9
249.08981	0.6
250.09840	0.7
251.10651	100.0
252.10941	3.6
261.09085	3.0
262.09625	0.5
263.06958	1.3
264.07794	9.2
265.08588	0.8
277.08606	0.4
278.09195	0.4
279.10135	91.2
280.10568	3.5
291.10309	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.0862
Annotation	Alternarienonic acid
Peak:m/z	Relative Intensity
50.36274	0.8
53.03940	0.8
53.81507	0.7
55.01857	3.3
55.05492	1.9
57.03423	0.9
57.06800	1.0
57.07067	13.8
65.03925	2.1
67.05486	2.3
69.03429	1.3
70.06577	8.2
71.04951	0.8
71.46875	1.0
71.47222	1.3
72.08138	5.5
73.02877	0.8
79.05485	1.6
81.03389	1.1
81.07039	2.5
83.04958	1.1
84.04469	1.2
84.08124	3.5
85.02884	1.5
86.09678	3.0
90.26091	0.7
91.05492	4.0
93.03394	1.2
93.07040	1.2
95.04936	4.4
95.08591	2.1
97.02871	1.0
97.06530	0.9
103.05455	2.5
105.03353	1.9
105.07021	3.4
107.04937	1.9
109.10132	0.9
110.07121	2.6
114.10310	1.0
115.03916	1.8
115.05463	4.3
116.06290	0.8
116.07076	2.7
116.98593	1.3
117.07016	5.8
118.06579	0.8
119.04939	7.6
119.08542	1.5
121.02862	5.2
121.06476	1.1
123.04418	22.9
127.05451	0.9
128.06248	1.8
129.10210	1.7
130.06505	2.7
131.04884	6.4
131.08586	2.2
132.05658	0.9
133.06480	8.8
134.99715	1.1
135.08018	0.9
136.07527	0.9
137.05934	0.9
141.06963	4.5
142.03542	1.1
143.08499	1.9
144.05688	2.1
145.06474	33.6
145.10107	1.1
147.04395	34.7
147.08020	3.5
148.04761	1.4
149.02328	100.0
150.02649	1.2
152.06131	1.0
153.04034	2.2
153.06973	1.7
155.06033	2.4
157.06464	9.1
159.04410	2.5
159.08026	4.4
160.07553	1.6
161.05966	10.8
163.03867	2.7
165.05470	7.9
167.03412	3.1
169.06500	4.7
171.04372	7.1
171.08099	3.6
173.05968	26.5
175.03894	3.1
175.07568	3.5
177.00711	1.2
177.05539	2.0
181.06468	1.4
185.05933	8.9
187.07536	5.1
188.07014	2.1
189.05444	7.8
191.06993	3.8
192.01561	0.8
197.05981	12.3
199.07552	4.1
200.08302	0.8
201.05460	11.2
203.07001	1.9
205.08582	2.6
215.07013	17.2
217.04955	3.0
219.06503	17.1
219.08508	1.5
231.06647	1.6
233.08040	13.6
243.06493	6.7
251.09045	1.3
261.07602	4.4
261.12057	1.1
279.08661	9.9
279.13400	2.6
279.23257	1.1
280.15384	4.2
293.67020	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.0861
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00893	1.6
55.01866	3.6
55.05516	2.0
57.03427	2.3
57.07072	13.9
61.02905	2.5
65.03928	3.0
67.05509	11.1
68.05018	1.9
69.03412	3.2
69.07059	1.6
70.06585	4.5
70.43318	3.2
72.08146	3.8
73.02892	3.7
76.43556	1.4
79.05492	3.5
80.11495	1.4
81.07053	10.0
84.08134	3.6
85.02872	4.0
86.09713	2.4
91.05482	10.5
93.06979	1.7
95.04949	5.1
95.08596	8.9
97.02841	2.3
98.97567	3.3
99.04458	2.2
103.03975	7.5
103.05440	3.8
105.07014	5.8
107.04922	4.3
107.08591	2.9
109.10158	4.8
113.02345	2.0
115.03997	3.3
115.05470	4.4
117.06976	8.3
119.04931	17.1
119.08613	2.5
120.05272	1.6
120.08096	4.1
121.02871	10.2
121.06484	3.8
123.04424	32.8
123.11715	2.0
128.06204	3.6
129.06999	2.8
131.04912	12.8
131.08583	2.8
133.06483	18.9
141.06963	5.8
144.05699	1.9
145.05330	3.1
145.06479	57.8
147.04404	93.1
147.08025	6.1
149.02336	100.0
149.05954	5.3
153.06912	2.1
155.06012	3.2
157.06491	11.2
159.04411	5.1
159.08073	9.3
161.05992	20.9
163.03946	5.2
165.05513	15.5
167.03397	4.0
169.06416	7.6
171.04384	9.5
171.08020	6.1
173.05978	43.9
175.03906	6.9
175.07503	5.7
177.05458	16.2
180.68939	1.9
181.06577	2.7
185.05991	13.7
187.07544	11.3
189.05449	13.0
191.07031	5.6
197.06007	20.2
199.07472	10.1
201.05450	23.1
203.07088	1.7
205.08623	2.5
215.07024	30.0
217.05060	2.6
219.06519	29.1
231.06667	1.9
233.08044	19.8
243.06657	7.3
249.07431	1.7
261.07593	7.0
279.08563	11.1
279.13208	3.3
279.23276	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	278.1384
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.6
55.01868	0.5
56.31453	0.4
59.04995	1.1
60.61570	0.5
69.94674	2.9
70.06592	1.9
70.82106	0.4
72.08140	1.0
75.04469	5.8
79.05481	3.5
81.07027	0.7
87.04466	1.1
88.50764	0.4
91.05469	1.2
93.07034	0.9
95.04947	0.7
98.06054	3.1
103.05437	2.5
105.07020	29.8
117.05724	0.7
119.08571	3.2
120.08076	1.7
123.08034	4.6
128.97653	0.5
130.06512	1.3
130.08635	4.6
131.07295	19.7
131.08328	1.0
132.08080	1.9
133.07599	1.3
133.08806	0.7
143.07314	1.0
144.08064	3.3
145.08852	14.0
146.09633	100.0
147.09955	1.1
148.11237	1.3
149.02295	2.9
158.08304	0.6
158.09642	13.1
159.10443	1.8
160.07607	2.2
160.11201	55.1
161.08347	1.3
162.12729	0.9
165.98320	0.4
167.03308	0.7
172.07555	3.1
174.09033	0.6
175.09987	0.9
176.07132	0.8
177.01794	0.7
186.09189	1.0
187.09909	1.5
188.10670	8.8
190.08653	0.6
190.12251	5.0
191.09460	0.9
192.13824	5.0
197.64877	0.5
218.11765	6.7
220.13274	5.1
236.16924	0.6
246.11290	2.7
248.12819	3.3
250.14340	5.9
251.07144	0.7
278.13867	22.8
278.17349	1.7
279.06522	6.7
279.09579	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.216
Annotation	6Z,8E,10E,12Z-Octadecatetraenoic acid
Peak:m/z	Relative Intensity
53.03929	4.5
55.01860	2.3
55.05502	14.3
57.03394	4.8
57.07055	4.7
67.05145	2.4
67.05495	41.9
68.55247	1.3
69.03385	1.5
69.07058	16.7
69.82218	10.7
71.04983	2.0
71.08622	21.3
79.05484	68.1
81.03400	5.0
81.07047	52.5
83.04955	5.5
83.08602	10.3
85.06518	3.8
91.04927	2.2
91.05467	33.4
93.07035	100.0
95.04945	11.6
95.08598	36.2
97.06491	4.3
97.10130	3.0
99.08073	13.8
105.04472	1.6
105.07014	20.3
107.04925	3.0
107.08587	51.0
109.06478	4.4
109.10129	10.5
109.86394	1.6
111.08047	3.4
113.12565	1.4
117.07006	2.8
119.08563	13.5
121.06521	1.8
121.10133	40.7
123.08051	3.5
123.11675	3.6
129.07011	2.1
131.08519	7.5
131.95271	1.3
132.02339	1.4
133.10114	10.8
135.11673	50.8
137.09636	1.5
139.11122	1.7
143.08459	2.1
145.10106	5.9
147.11664	7.6
149.13275	11.8
151.11137	9.4
157.10051	1.8
159.11719	3.2
161.13208	6.3
163.11122	5.7
163.14833	2.7
165.12704	2.4
167.10699	1.7
171.11684	3.1
175.14832	3.1
179.10687	2.6
179.14284	20.3
185.13226	2.1
187.14861	2.8
221.15324	2.8
235.16823	7.5
241.19458	3.0
259.20630	4.8
277.18060	5.4
277.21591	71.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.216
Annotation	Stearidonate
Peak:m/z	Relative Intensity
53.03925	3.8
55.01859	2.9
55.05512	15.4
57.03419	2.4
57.07066	3.2
65.03941	1.7
67.05134	1.9
67.05500	38.9
69.03446	1.2
69.07062	17.2
71.04970	2.6
71.08618	20.5
71.67344	2.2
73.31993	1.4
77.03921	1.5
79.05487	71.4
81.03394	4.9
81.07048	51.3
83.04964	5.8
83.08614	9.1
85.06554	1.8
91.05473	29.2
93.07037	100.0
95.04959	13.1
95.08598	35.6
97.06512	5.1
97.10147	3.7
99.08089	15.5
101.68442	1.4
105.07017	20.9
107.04936	4.0
107.08585	57.1
109.06506	4.2
109.10150	12.1
117.07025	3.5
119.08554	13.4
119.37206	1.4
120.54817	1.5
121.06470	1.3
121.10133	45.7
123.08032	1.7
123.11640	1.3
129.06976	2.8
131.08554	2.8
131.64735	1.3
133.10124	9.6
135.11678	57.5
137.09554	3.6
137.13237	1.4
138.12781	1.1
141.09128	2.0
145.10117	3.4
147.11685	7.5
149.02254	1.3
149.09683	2.0
149.13234	16.6
151.11179	7.7
152.93596	1.2
159.11671	3.7
161.09584	1.4
161.13216	6.1
163.11188	3.7
163.14766	4.4
167.10649	2.0
171.11720	2.1
173.13266	1.3
175.11159	1.2
175.14804	1.8
177.12708	2.0
179.14293	25.7
181.12315	1.4
183.40002	1.1
185.13240	2.4
190.09988	1.3
195.13725	2.3
198.91742	1.2
207.13831	1.9
221.15413	5.0
235.16873	3.6
241.19414	1.7
259.20593	5.4
267.48349	1.3
277.21600	82.9
278.21948	2.2
291.15259	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.216
Annotation	6Z,8E,10E,12Z-Octadecatetraenoic acid
Peak:m/z	Relative Intensity
53.03930	8.0
53.70712	1.9
55.01867	16.7
55.05508	26.9
57.07067	10.5
65.03912	4.5
66.64505	2.6
67.05500	51.0
67.57182	1.8
69.03429	2.1
69.06694	2.0
69.07056	23.7
70.06570	1.9
70.78710	3.8
70.79089	3.0
71.04966	3.6
71.08323	1.6
71.08625	17.9
72.08146	2.2
74.08158	1.6
79.05487	62.6
81.03386	4.6
81.07050	51.7
83.04955	5.0
83.08614	13.9
85.06506	3.3
85.10172	2.1
91.04939	2.1
91.05468	38.3
93.07037	82.5
95.04955	15.2
95.08601	32.1
97.06507	8.1
97.10151	3.4
99.08078	14.3
102.48805	1.7
105.07023	26.7
107.04937	7.3
107.07912	3.1
107.08579	41.0
109.06500	6.9
109.10139	18.0
111.08055	11.7
117.07008	6.0
119.08573	18.4
121.06483	3.9
121.10131	22.2
123.08011	4.5
123.11680	5.8
123.91536	1.8
129.07005	4.0
131.08583	8.7
133.10103	16.2
135.08040	3.3
135.11685	24.9
137.13177	2.2
139.11241	2.0
141.12683	4.1
143.08537	4.3
145.10114	8.4
147.11697	13.8
149.02322	24.7
149.09584	3.0
149.13237	15.6
151.11153	10.8
157.10100	5.4
159.11691	5.9
161.09628	2.9
161.13199	10.2
163.11157	13.2
163.14847	4.9
165.12695	8.6
171.11656	8.3
173.13223	4.2
175.07396	2.3
175.11224	3.2
175.14790	5.2
179.14285	5.4
181.12234	2.9
185.13156	4.7
189.12685	4.1
193.15829	1.9
199.14789	3.9
207.13737	2.8
221.15349	3.1
231.17567	2.0
231.20985	3.3
235.16904	4.5
240.91536	1.7
241.19377	6.4
245.08495	1.8
249.22127	3.7
255.14470	2.7
259.20599	12.4
277.18280	3.7
277.21573	100.0
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	6Z,8E,10E,12Z-Octadecatetraenoic acid
Peak:m/z	Relative Intensity
51.02341	1.9
53.03926	5.2
55.01867	15.8
55.05264	2.1
55.05506	24.9
57.03440	7.3
57.07069	10.3
65.03928	2.1
67.05140	2.7
67.05495	47.6
69.03419	1.4
69.07057	21.6
69.95587	1.3
69.95947	8.8
71.04972	3.4
71.08635	1.4
77.03912	1.2
79.05488	63.7
81.03390	1.6
81.07049	51.9
83.04955	4.8
83.08605	15.3
83.83492	1.4
85.06510	4.5
85.10151	2.2
86.49880	1.3
91.04924	1.7
91.05470	35.2
93.07036	100.0
95.04955	11.6
95.07996	2.4
95.08591	36.8
97.06486	4.2
97.10133	4.8
98.20766	2.2
99.08055	3.9
105.04452	1.5
105.07013	21.2
107.08585	48.8
109.06493	6.1
109.10142	17.2
111.08075	20.1
113.09627	2.4
117.06999	6.5
119.08570	17.5
121.10134	46.6
123.08015	3.1
123.11653	5.0
129.06989	3.3
131.08524	8.9
133.10109	18.4
135.07954	1.8
135.11673	43.8
137.05936	3.9
137.09608	6.9
137.13225	2.0
138.42998	1.3
143.08521	3.4
144.68248	1.4
145.10101	6.5
147.08061	1.6
147.11681	12.5
149.12105	2.1
149.13248	27.4
151.11127	3.9
157.10075	2.0
159.11656	7.2
161.09555	2.4
161.13217	6.1
163.11108	1.6
163.14835	6.7
165.05412	2.1
165.12698	4.8
171.11644	5.1
173.13213	2.2
175.11130	2.1
175.14667	1.6
177.12733	2.7
179.10649	1.9
181.12291	1.5
185.13171	3.8
187.14769	6.5
189.12633	2.1
195.13707	2.9
199.14687	1.9
205.15796	3.8
207.13786	3.1
213.16367	2.0
221.11655	4.9
221.15292	3.2
221.18939	1.8
231.17381	2.1
231.21005	1.9
235.16946	7.0
241.19446	3.8
249.22043	2.6
250.21655	9.5
259.20596	7.9
277.18039	8.5
277.21555	93.6
290.04523	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2159
Annotation	Stearidonate
Peak:m/z	Relative Intensity
50.57339	1.5
53.03931	4.4
53.51087	1.6
55.01865	54.7
55.05501	34.9
57.03422	2.3
57.07053	5.1
67.05494	42.6
69.07056	20.5
71.04974	4.3
71.08612	6.0
71.15200	3.9
71.15546	2.1
79.05484	40.0
81.07047	50.0
82.62457	1.5
83.04981	11.2
83.08608	19.3
85.06543	3.4
85.10171	2.6
87.60262	1.7
91.05466	26.6
93.07035	48.4
95.04961	10.5
95.08592	31.3
97.06522	10.3
97.10141	3.5
99.08075	3.9
105.07011	22.3
106.94574	1.9
107.04939	3.2
107.08579	23.7
109.06490	6.7
109.10150	13.9
111.08069	61.1
113.09635	5.9
117.07008	4.0
119.08569	16.4
121.10126	19.5
123.08049	4.8
123.11679	5.4
125.09593	2.7
129.06979	2.6
131.08534	5.2
133.10117	22.3
135.11671	15.8
137.09555	3.9
143.08507	2.2
145.10127	4.1
147.11636	13.4
149.09555	3.8
149.13239	12.2
151.11137	8.5
153.12723	5.5
157.10135	2.5
159.11626	2.9
161.09529	1.6
161.13232	11.2
163.11183	4.1
163.14786	5.3
165.12740	13.4
170.71756	1.9
171.11642	4.6
173.13287	1.8
175.11153	4.1
175.14774	4.7
179.14297	4.8
185.13222	2.4
193.12257	3.6
193.15891	2.0
207.13898	2.6
221.15320	4.0
231.21053	6.4
235.16907	2.2
241.19579	3.7
249.22046	8.4
259.20511	11.5
277.21594	100.0
278.22107	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.216
Annotation	coniferonic acid
Peak:m/z	Relative Intensity
53.03930	4.9
55.05510	15.5
55.17994	1.0
57.07067	2.1
61.38062	1.1
65.03917	2.2
67.05139	1.8
67.05499	35.8
69.07062	17.6
70.40904	4.8
71.04988	2.7
72.92703	1.0
76.93531	1.1
77.03908	1.8
78.26568	1.1
79.05486	74.8
81.07050	41.1
83.04948	1.6
83.08176	1.0
83.08600	7.2
85.06519	2.4
91.05475	28.3
93.07037	100.0
95.04958	8.3
95.08604	27.2
97.06509	2.5
97.10146	3.3
99.08076	1.2
105.07030	12.8
107.08585	52.1
109.06496	1.8
109.10143	15.0
111.08076	1.1
117.06998	4.0
119.08572	10.4
119.93547	1.2
121.10133	45.5
123.08051	1.6
123.11663	3.3
131.08551	4.4
133.10114	11.2
135.11676	63.1
139.11411	1.0
143.08556	2.0
145.10121	3.0
147.11650	8.2
149.09602	2.5
149.13251	29.3
156.54315	1.1
157.10194	1.7
159.11644	3.7
161.13246	3.9
163.14815	7.4
171.11592	2.0
173.13206	3.1
175.14830	2.8
177.12865	1.8
181.12215	1.6
185.13206	2.3
189.12608	1.5
195.13791	3.0
199.14845	1.5
207.13821	2.8
213.16301	2.5
217.15872	1.3
221.15274	2.5
231.17372	1.8
235.16904	4.8
236.17746	1.2
241.19635	1.8
259.20563	4.5
277.21603	82.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2159
Annotation	coniferonic acid
Peak:m/z	Relative Intensity
53.03939	5.6
55.01867	10.5
55.05273	1.5
55.05508	21.9
57.03423	2.5
57.07071	5.7
65.03931	1.8
67.05498	48.4
69.03419	1.7
69.07059	19.0
69.74439	4.3
69.74864	4.3
71.04975	4.8
71.08614	13.2
79.05485	57.2
81.03413	6.5
81.07045	50.3
83.04961	5.2
83.08630	9.1
85.06538	1.9
85.10159	1.4
91.04916	2.4
91.05470	30.0
92.05824	1.7
93.07033	74.5
94.07360	1.2
95.04961	14.6
95.08591	29.3
96.08910	1.6
97.06505	6.7
97.10149	3.9
98.21560	1.1
99.08073	12.3
105.07021	24.5
107.04947	6.1
107.08584	45.1
109.06503	6.8
109.10143	17.4
110.06873	1.3
111.08054	7.2
117.07003	5.7
119.08573	19.8
121.06493	3.0
121.10133	27.2
123.08031	3.5
123.11686	5.0
125.09578	2.7
129.07019	4.2
131.08563	5.5
133.10132	16.4
135.08049	1.9
135.10786	0.9
135.11678	24.9
137.09596	3.5
141.09132	1.7
141.12720	3.6
143.08548	4.3
145.10094	9.3
147.08018	1.3
147.11674	14.0
149.09610	3.1
149.13257	17.3
151.11189	9.0
157.10083	2.7
159.11671	2.6
161.09596	2.4
161.13249	9.5
163.11154	9.9
163.14775	7.4
165.12766	5.9
167.10704	1.8
169.12196	1.6
171.11659	3.9
173.13235	2.6
175.11162	2.1
175.14832	3.2
177.12694	1.4
177.16383	2.5
179.10597	1.3
179.14334	4.7
181.12236	1.6
185.13264	4.6
189.12772	3.3
193.12274	1.5
195.13750	1.9
199.14972	1.2
203.14247	1.4
207.13803	2.2
213.16209	1.7
217.19455	1.9
221.15396	3.4
231.21098	3.1
235.13359	2.0
235.16939	4.3
241.17410	1.1
241.19489	7.5
249.22360	1.3
259.20624	12.4
277.21585	100.0
278.21942	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.216
Annotation	6Z,8E,10E,12Z-Octadecatetraenoic acid
Peak:m/z	Relative Intensity
53.03929	3.1
55.01870	6.2
55.05508	18.9
57.03408	1.9
57.07074	7.6
59.04993	1.6
67.05497	46.7
68.28413	1.1
69.03419	1.4
69.07059	16.3
70.06581	1.9
70.06992	5.0
71.04972	4.6
71.08618	6.8
73.70052	1.1
79.05486	50.0
81.03382	3.2
81.07047	43.9
83.04961	4.5
83.08231	1.1
83.08619	12.4
85.06510	3.1
91.05470	28.6
93.07033	72.2
95.04956	10.0
95.08598	29.2
97.06503	3.8
97.10136	5.0
98.15270	1.2
98.21238	2.3
99.08089	4.3
105.07014	22.6
107.04919	4.2
107.08580	37.0
109.06483	5.0
109.10143	15.9
111.08069	5.7
117.06993	4.9
119.08570	13.4
121.06492	1.9
121.10130	25.9
123.08038	3.7
123.11680	6.5
125.09603	3.6
129.06976	2.5
131.08540	4.0
133.10112	12.2
135.07982	2.1
135.11679	27.0
137.09587	3.3
139.11172	1.5
143.08568	3.3
145.10106	5.1
147.08051	2.0
147.11647	13.3
149.09579	2.9
149.13246	18.0
151.11127	4.1
157.10066	2.5
159.11687	3.8
161.09592	1.7
161.13242	7.3
163.11142	4.3
163.14803	5.9
165.12735	2.9
171.11650	3.8
173.13245	3.4
175.11095	2.0
175.14781	3.1
176.09082	1.4
177.12675	2.0
179.10666	2.9
179.14278	2.7
185.13222	3.2
189.12784	2.3
193.12158	1.3
199.14873	1.3
203.03970	1.3
207.13786	2.0
217.19490	2.7
218.81140	1.1
221.15355	4.0
231.21062	3.2
235.16901	7.0
241.19551	3.7
259.20584	11.8
277.18246	4.9
277.21591	100.0
278.21893	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2159
Annotation	coniferonic acid
Peak:m/z	Relative Intensity
53.03933	5.0
55.01862	1.8
55.05506	18.4
55.49598	1.5
55.61026	1.4
57.07055	3.1
60.73309	1.4
65.03907	1.7
66.24278	1.3
67.05500	32.1
68.58797	1.5
69.07066	15.0
70.92450	3.1
71.04990	2.5
79.05486	74.1
81.07051	32.7
83.04959	2.5
83.08598	6.3
84.17747	1.6
89.20974	1.4
91.05465	24.5
93.07035	100.0
95.04947	6.8
95.08597	23.6
97.06501	2.4
97.10155	3.7
105.04494	1.8
105.07021	15.8
106.72502	1.5
107.08581	44.8
109.10139	11.9
117.07016	3.6
119.08585	8.4
121.09265	2.4
121.10136	45.5
122.01902	1.5
123.11694	3.1
129.06952	1.8
131.08537	3.8
133.10139	11.5
135.11687	41.7
137.09601	1.7
143.08578	2.8
145.10150	3.6
147.11694	7.7
149.09735	1.8
149.13229	23.9
157.10112	1.7
159.11650	2.3
161.13232	5.3
163.11166	1.8
163.14821	4.5
171.11630	1.7
175.14755	2.1
176.63974	1.5
185.13286	2.5
195.13696	1.7
199.14780	2.2
221.15309	2.9
235.16843	4.0
259.20523	2.9
273.97888	1.6
277.21613	61.4
287.91714	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2158
Annotation	6Z,8E,10E,12Z-Octadecatetraenoic acid
Peak:m/z	Relative Intensity
53.03934	2.4
55.01864	22.9
55.05506	19.1
57.07067	49.8
65.03931	1.6
67.05142	1.7
67.05493	23.5
69.07062	11.4
70.21538	5.8
71.08601	2.7
78.87040	1.1
79.05486	23.3
80.99885	1.0
81.03416	1.6
81.07042	31.2
83.04967	4.8
83.08605	9.3
85.06532	1.6
85.10168	2.9
91.05464	18.0
93.07029	31.7
95.04970	8.9
95.08591	19.6
97.06512	5.7
97.10170	2.5
99.08078	2.1
105.07015	11.9
107.04864	1.5
107.08583	15.7
109.06498	5.0
109.10133	8.1
111.08069	26.0
113.09624	2.0
117.06993	2.3
119.08584	9.7
121.10133	11.0
121.49505	1.2
123.04372	2.2
123.08020	1.7
123.11661	3.5
131.08527	3.2
133.10115	10.6
135.11670	11.8
137.09578	2.1
145.10092	2.5
147.11658	4.9
149.09607	1.6
149.13245	7.5
151.11140	3.5
153.12683	3.6
157.10138	1.6
159.11769	1.4
161.09625	2.4
161.13243	5.2
163.07520	1.9
163.11143	1.2
163.14792	3.3
165.12775	6.7
171.11688	1.3
175.11208	1.4
175.14816	3.5
177.12775	2.2
179.10640	27.1
179.14267	1.7
180.24968	1.4
181.12271	1.5
185.13150	1.3
189.12668	2.0
189.16151	1.1
207.13873	2.2
217.15836	2.3
219.13756	4.1
225.21024	1.1
231.20987	1.8
235.16902	100.0
236.17265	3.0
241.19481	2.1
249.22165	5.2
259.20572	4.7
277.17969	88.1
277.21558	52.5
278.18240	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.216
Annotation	Stearidonate
Peak:m/z	Relative Intensity
53.03949	4.1
55.01869	5.2
55.05508	18.6
57.03424	1.6
57.07064	6.0
58.17952	0.7
59.04972	1.0
65.03937	1.2
67.05499	44.7
69.03412	0.9
69.07063	16.7
70.06551	1.0
71.00148	2.6
71.04970	3.3
71.06134	0.8
71.08612	3.6
79.05485	43.4
81.03403	5.0
81.07048	41.8
83.04980	3.9
83.08614	8.9
85.06544	4.4
91.04916	1.5
91.05471	24.5
93.07033	63.3
95.04961	12.0
95.08595	24.3
97.06529	4.8
97.10162	4.6
99.08077	2.0
105.07021	16.8
107.04930	4.0
107.08582	35.9
109.06497	4.5
109.10139	14.6
111.08058	2.9
113.09596	1.2
117.07008	4.3
119.08562	12.9
121.06478	2.3
121.10134	21.8
123.08031	2.9
123.11679	3.8
125.09602	3.5
129.06976	3.6
131.08505	5.4
133.10118	10.6
135.08047	2.3
135.11668	24.3
137.09579	3.2
137.13220	1.6
139.11168	1.2
143.08537	3.8
145.10127	3.9
147.08034	1.7
147.11668	11.2
149.09592	1.6
149.13235	15.3
151.03860	1.5
151.11186	5.1
157.10100	2.9
159.11681	3.0
161.05942	2.1
161.09619	2.4
161.13223	7.9
162.06703	1.9
163.11183	3.3
163.14798	5.8
165.12744	3.1
171.11726	4.3
173.11771	1.0
173.13254	2.3
175.07544	3.4
175.11180	2.3
175.14781	4.4
177.12737	2.3
179.10602	1.9
180.07840	2.0
181.12206	1.9
185.13243	3.3
189.12666	1.7
193.08521	6.1
193.12236	1.4
193.15878	1.0
195.13802	1.6
199.14804	2.9
203.14235	1.8
207.13750	2.9
213.16341	1.1
216.39545	0.9
217.12253	4.2
217.19495	2.0
221.15318	2.7
231.21040	2.5
235.13245	13.5
235.16794	5.2
241.19479	4.7
259.20563	10.0
277.14297	4.4
277.21600	100.0
278.21982	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2161
Annotation	Stearidonate
Peak:m/z	Relative Intensity
52.26929	2.2
53.03927	5.2
55.01639	2.6
55.01873	32.5
55.05510	25.5
57.07078	13.4
57.07304	2.8
67.05499	39.1
69.07065	23.7
69.84386	14.7
71.04984	3.4
71.08588	2.3
79.05488	66.5
79.43497	2.1
80.47047	2.2
81.07051	49.1
83.04963	5.2
83.08601	11.6
85.06542	2.8
91.05471	38.0
93.07041	100.0
94.07391	2.2
95.04968	11.2
95.08601	32.3
97.06527	28.2
97.10139	2.8
98.21439	3.0
99.72536	2.0
100.61079	2.5
105.07011	21.6
107.08585	51.2
109.06532	3.4
109.10137	12.6
111.08058	4.9
117.07035	5.8
119.08563	18.4
121.10146	35.5
123.11751	5.3
125.09605	3.0
129.07022	3.4
131.08551	5.3
133.10146	12.7
135.08041	2.2
135.11690	31.5
137.09572	4.4
143.08511	2.4
145.10115	5.8
147.11647	15.8
149.09602	5.3
149.13260	19.6
161.13210	11.8
163.14809	9.5
165.12747	7.1
171.11681	4.3
173.13275	2.9
175.14796	4.6
179.10620	6.5
185.13232	4.3
189.12738	2.6
195.13699	2.4
203.14413	2.6
207.13747	3.3
217.19493	2.6
221.15361	4.5
235.16907	25.6
241.19463	5.7
249.22087	4.6
259.20538	7.3
277.18048	19.2
277.21591	81.1
278.21869	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2159
Annotation	6Z,8E,10E,12Z-Octadecatetraenoic acid
Peak:m/z	Relative Intensity
53.03945	5.4
55.01860	4.1
55.05508	27.7
57.07072	48.2
65.03934	2.5
67.05500	49.9
68.05830	1.6
68.99019	1.3
69.07066	22.5
69.51292	13.3
71.04956	3.1
79.05487	63.2
81.03426	3.3
81.07052	48.8
83.04952	2.9
83.08617	17.5
85.06553	1.9
91.05473	33.5
93.07037	92.3
94.07375	2.0
95.04950	8.7
95.08599	32.6
97.06533	6.5
97.10169	4.2
105.07024	25.1
107.04951	2.0
107.08587	50.5
108.08851	1.3
109.06524	5.3
109.10143	17.5
111.08083	5.2
117.07046	4.2
119.08567	20.2
121.10140	45.0
123.04477	1.8
123.08057	3.6
123.11690	4.0
125.09629	3.0
129.06931	2.4
131.08537	7.9
132.69633	1.3
133.10117	17.2
135.08099	3.2
135.11681	42.9
135.12645	3.2
137.06012	1.5
137.09666	2.0
137.13231	1.7
143.08562	2.0
145.10107	5.9
147.08188	1.9
147.11665	13.7
149.09625	2.7
149.13248	23.9
151.11192	1.9
152.44957	1.4
157.10127	5.3
159.11707	6.7
161.13258	7.2
163.11186	2.9
163.14816	4.4
165.12785	4.3
171.11696	3.6
173.13177	1.8
175.11208	1.8
175.14752	3.6
177.12747	3.2
179.10654	24.3
181.12224	1.7
189.12787	2.5
193.12199	1.8
195.13776	1.9
199.14857	1.8
207.13919	2.7
217.15958	1.9
219.13882	3.9
221.15421	2.6
231.17517	1.9
231.21002	3.3
235.16917	100.0
236.17310	3.1
241.19435	3.3
249.22119	2.4
250.46207	1.5
259.20468	6.9
277.18011	92.7
277.21594	83.5
277.28177	3.9
278.18332	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	277.0891
Annotation	Unknow
Peak:m/z	Relative Intensity
56.51130	0.8
63.21152	0.7
66.66496	0.7
69.96593	4.3
72.27697	0.7
89.20113	0.7
101.00855	0.9
101.70199	0.7
119.01912	1.9
130.73558	0.6
132.95831	2.5
145.03433	0.9
150.96771	0.7
161.02968	1.8
173.02936	1.0
186.96774	0.9
216.97948	1.2
234.98912	1.4
247.29787	0.7
265.67899	0.8
277.08926	100.0
278.09048	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.118
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13312	0.4
51.66835	0.4
52.43235	0.4
55.05486	0.5
55.56660	0.4
56.05019	1.9
57.07064	1.3
67.05491	0.4
69.07037	0.6
70.06577	1.4
71.75025	0.5
79.05479	1.7
81.07053	1.0
84.04495	41.7
84.08141	1.0
85.02906	0.5
86.09705	1.0
91.05449	2.1
93.07042	2.6
95.08580	0.6
97.02919	0.5
101.37247	0.4
102.65796	0.4
103.05452	3.6
105.07019	0.4
106.68967	0.4
107.04957	1.2
107.08579	0.7
108.85892	0.4
109.10164	0.9
109.46773	0.4
110.07141	0.8
119.07317	0.5
120.08089	100.0
121.08411	1.0
129.10240	0.5
131.04897	1.9
133.10075	0.6
135.03015	0.5
135.11674	0.5
136.07515	0.5
137.05945	0.4
149.05940	1.2
150.20073	0.4
152.05653	9.2
153.04048	1.6
166.08621	34.6
179.10612	0.7
186.09128	4.5
205.15863	0.4
231.11270	18.8
235.16946	2.0
259.10934	0.8
262.06311	0.4
277.08698	1.1
277.11383	2.9
277.14670	2.2
277.17975	1.5
277.21548	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.1795
Annotation	[6]-Shogaol
Peak:m/z	Relative Intensity
53.03917	1.4
55.01862	10.0
55.05511	5.2
57.07065	3.3
60.12691	0.5
67.05497	8.0
69.03416	1.0
69.07061	5.3
70.06847	2.5
71.08606	0.9
79.05482	10.7
81.07044	41.1
83.04964	2.8
83.08604	2.8
85.10180	0.8
91.05460	5.6
93.07025	9.6
95.04957	1.6
95.08588	7.1
97.06516	1.3
97.10153	0.9
98.20754	0.8
105.07027	5.7
107.08573	6.7
109.06505	14.5
109.10202	3.0
111.04429	12.8
111.08063	1.8
117.06981	0.7
119.08566	5.9
121.10130	4.7
123.08048	2.2
123.11702	1.7
125.05978	4.9
129.07039	0.6
131.08583	2.1
133.06451	1.1
133.10097	4.1
135.08003	2.7
135.11684	6.3
137.05959	100.0
137.13234	1.5
138.06287	0.7
143.08580	1.3
145.10112	2.6
147.08020	0.9
147.11662	5.9
149.02333	0.8
149.09624	3.0
149.13229	1.6
151.07541	2.9
151.11186	2.0
157.10089	1.6
159.11710	1.0
161.09589	6.0
161.13264	2.6
163.11101	3.1
163.14813	1.0
165.09100	2.4
165.12756	1.6
167.10661	1.2
171.11690	1.1
175.11154	4.1
175.14853	1.5
179.10652	2.4
181.12225	0.9
189.12726	1.5
193.12190	1.7
203.17932	4.7
205.19385	0.8
213.16408	2.1
221.15126	0.6
221.18938	1.7
223.14938	1.6
231.17387	6.5
235.13435	0.7
235.16801	3.3
249.18489	3.6
259.20419	0.8
259.25311	0.6
277.17978	7.4
277.21451	7.9
295.19052	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	276.1957
Annotation	MGK 264
Peak:m/z	Relative Intensity
52.41185	0.6
53.03928	1.0
55.05504	3.6
57.07060	0.9
57.62712	0.6
67.05504	4.2
67.95037	0.6
68.05025	3.0
69.07057	4.0
70.06586	14.4
72.08121	1.1
79.05485	11.1
81.07049	3.3
82.06541	0.7
83.08605	0.8
84.08102	0.7
91.05480	9.9
93.07029	10.2
95.04958	1.3
95.08616	3.9
96.08112	2.2
99.09180	1.5
100.07610	27.0
105.07018	20.6
105.47406	0.6
106.06521	2.0
107.08573	10.3
108.08105	1.9
109.10154	0.8
112.07629	0.6
114.05533	5.9
116.07111	0.9
117.07016	2.7
118.06505	2.2
119.08569	15.6
120.08080	1.2
121.10140	6.3
122.09628	0.7
127.11840	0.6
128.07066	18.8
130.26811	0.6
131.08569	1.6
132.08076	1.0
133.06323	0.8
133.10120	32.5
134.09607	0.9
135.11670	2.0
140.07045	1.1
145.10161	0.8
146.09567	1.4
147.11783	0.7
148.11186	1.1
149.13257	0.9
152.07060	1.9
154.08621	1.6
160.00011	0.6
160.11185	2.2
161.12064	0.8
161.13243	22.4
162.12752	1.1
163.14792	4.5
164.07042	3.6
165.07835	1.7
165.62277	0.5
172.11186	1.1
174.12717	1.9
176.14342	6.1
178.08583	1.4
179.09442	0.9
186.12686	1.1
188.14301	4.7
192.10210	7.4
193.10934	0.9
202.15877	4.3
204.10202	1.8
206.11760	2.9
218.11760	11.1
219.12367	0.8
220.13124	0.6
230.16750	0.9
230.19057	2.9
232.13176	3.6
233.14145	1.3
234.14812	1.4
246.14871	2.0
247.15677	1.9
248.16209	0.8
250.68593	0.7
258.16043	3.6
258.18561	0.9
276.17075	4.0
276.19574	100.0
277.19858	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.008
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85413	4.3
56.96548	12.9
57.07062	5.6
62.81391	4.3
63.10567	3.8
70.78660	6.1
70.79006	8.2
98.21131	5.7
98.97572	100.0
116.98619	84.1
119.01926	17.7
121.01629	6.3
134.99675	28.7
137.02956	5.7
152.45126	4.1
161.02950	10.2
163.03906	13.5
177.00893	9.4
201.49924	5.4
213.14041	5.2
219.01991	6.5
235.17078	6.3
236.99501	5.2
245.05226	5.3
258.99704	60.4
276.97641	8.8
277.00726	97.8
277.07687	14.8
277.18271	5.6
294.98306	5.7
295.08823	14.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.0319
Annotation	Unknow
Peak:m/z	Relative Intensity
65.31144	0.5
70.42592	0.6
70.44518	2.3
70.44888	1.0
85.83521	0.6
94.63833	0.5
95.69461	0.6
98.21441	0.8
119.01926	2.0
131.01811	0.7
143.01917	0.9
155.01859	0.9
161.02933	2.0
173.03021	0.8
251.61295	0.6
277.03116	3.5
277.08926	100.0
278.09006	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.0321
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96559	65.4
71.07765	55.1
72.08202	21.5
78.33640	18.4
81.40961	19.5
85.02914	28.4
98.97617	52.5
101.00866	29.0
110.05022	19.8
110.97650	19.2
116.98566	30.0
118.12119	19.1
119.01910	100.0
129.03973	18.0
130.63499	23.6
131.01953	35.0
137.02921	24.5
144.27786	19.1
145.03461	28.3
161.02960	93.7
166.99980	17.2
173.02959	21.8
212.29257	21.5
221.14394	20.3
225.31871	18.4
277.03128	27.4
277.07928	62.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2732
Annotation	Kaurane
Peak:m/z	Relative Intensity
52.31381	0.6
53.03957	0.7
55.01882	1.3
55.05243	1.0
55.05506	16.0
57.03440	0.8
57.07064	6.4
60.69204	0.6
62.28380	0.6
65.03931	1.4
67.05499	30.8
69.07061	28.0
70.68710	1.1
70.69111	2.1
71.08620	2.9
79.05486	15.1
81.03430	0.9
81.07048	100.0
83.04976	1.0
83.08611	14.8
85.10190	1.2
91.05473	12.0
93.07038	19.0
95.04966	2.4
95.08599	76.3
96.08939	1.2
97.06523	1.9
97.10162	8.9
105.07015	13.8
107.04939	2.0
107.08582	20.5
109.06529	2.4
109.10148	46.6
111.08110	0.9
111.11696	5.6
117.07014	2.3
119.08582	7.7
121.06470	1.7
121.10129	10.7
123.08054	1.4
123.11701	22.7
125.13241	1.4
129.06979	1.0
129.23079	0.7
131.08562	4.1
133.06551	0.8
133.10107	7.7
135.07977	1.2
135.11682	9.9
137.09605	0.8
137.13232	9.6
145.10094	4.7
147.11681	4.7
149.09642	1.7
149.13239	9.0
151.14832	5.4
159.11658	2.0
161.13255	1.3
163.11157	1.6
163.14792	6.0
165.16406	2.3
173.13258	1.2
177.16377	1.9
179.17918	1.3
183.11681	0.8
189.12663	0.8
193.79381	0.6
205.19563	1.0
219.21049	2.1
229.19565	1.0
239.17863	1.5
247.20671	0.9
247.87733	0.7
257.18954	2.1
275.04977	1.0
275.20074	21.7
275.27316	34.2
276.01227	0.8
276.20316	1.1
276.27609	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	276.1956
Annotation	MGK 264
Peak:m/z	Relative Intensity
55.05494	3.4
55.05719	0.6
66.97800	0.6
67.05492	3.5
68.05031	2.8
69.07047	2.4
70.06584	12.3
70.09911	2.8
72.08154	0.6
79.05030	0.6
79.05486	8.9
81.07053	3.5
83.08585	1.0
91.05473	7.4
93.07052	9.5
95.08613	3.0
96.08096	1.5
99.09225	0.7
100.07607	25.4
101.07921	0.5
103.05473	0.6
105.07021	16.8
105.54792	0.5
106.06516	1.9
106.07228	0.5
107.08574	9.1
108.08120	1.1
114.05518	6.2
116.07036	0.7
117.06988	2.3
119.08562	15.0
120.08076	0.8
120.08901	0.7
121.10098	3.6
128.06151	1.1
128.07068	19.7
131.08546	1.5
132.08046	0.8
133.10117	28.2
135.11699	1.8
140.07083	1.3
146.09573	0.9
148.11197	0.8
152.07025	1.4
154.08617	1.3
158.09637	1.0
159.11641	0.6
160.11243	1.0
161.11897	1.3
161.13240	24.4
163.14798	5.6
164.07086	3.1
165.07881	1.6
172.11157	1.7
174.12766	1.6
178.08606	1.1
179.12189	0.6
183.86002	0.6
188.14345	4.6
192.10176	6.7
193.10788	0.5
200.14279	0.7
202.15889	4.6
204.10164	1.4
206.11768	2.6
218.11725	9.6
220.13222	0.6
230.19026	1.8
232.13326	3.7
233.14087	2.8
234.14845	1.2
246.14861	1.0
247.15656	1.7
276.19568	100.0
277.19846	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	275.2004
Annotation	Dicranin
Peak:m/z	Relative Intensity
53.03933	2.0
55.01857	5.3
55.05503	17.4
57.03430	3.3
57.07070	2.1
61.82438	1.3
64.15883	1.4
67.05499	28.1
69.07066	10.7
70.17309	5.8
70.17731	3.3
70.46224	1.4
71.04966	3.3
76.99022	1.5
79.05490	36.3
81.03380	3.8
81.07050	56.8
81.07536	2.8
83.04957	5.2
83.08595	6.4
85.06518	2.5
91.05473	40.4
91.06040	2.1
93.07041	24.8
95.04955	8.2
95.08588	19.0
97.06506	6.0
97.10159	2.4
105.07023	51.8
107.04957	10.5
107.08591	17.9
109.06512	22.6
109.10142	6.6
111.08089	1.8
117.06994	10.9
119.08578	33.9
121.06502	6.7
121.10130	11.9
123.08054	5.5
123.11671	2.0
129.06984	3.3
131.08572	15.8
133.06485	2.5
133.10123	26.7
135.08040	7.7
135.11684	5.6
137.09570	4.0
143.08531	1.8
145.10098	14.6
147.11676	19.1
149.09579	9.7
149.13231	3.9
151.11174	2.1
153.06976	1.6
155.08423	1.4
157.10155	4.0
159.11681	9.6
161.13205	5.5
163.11160	6.4
165.12675	2.3
169.10077	2.1
171.11633	3.4
173.13264	5.2
175.11160	2.2
175.14853	1.5
177.12692	3.1
183.11662	1.8
187.14867	1.7
191.14240	1.9
193.12207	1.8
213.16412	1.6
229.19572	4.8
239.17886	3.0
247.20505	5.9
257.19016	8.9
275.20047	100.0
276.20309	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2369
Annotation	5alpha-Androstan-2-en-17beta-ol
Peak:m/z	Relative Intensity
55.05499	15.6
56.82743	4.5
57.07049	10.1
61.60223	5.0
67.05503	23.1
69.07054	23.6
69.46461	5.3
71.05003	9.6
71.84933	4.3
75.52707	5.2
79.05479	18.7
81.07043	34.3
83.08611	8.0
85.06514	9.8
91.05466	20.2
93.07040	33.6
95.08599	59.1
97.06535	6.3
97.10156	5.8
99.08046	8.3
105.07030	38.9
107.04977	8.2
107.08574	49.6
109.10162	43.2
110.87551	4.4
111.08036	8.8
111.11694	4.9
111.73936	4.5
113.09611	7.9
116.13554	6.4
117.06985	6.5
119.08559	33.4
121.10120	42.9
123.11731	16.0
131.08557	9.9
133.10112	26.6
135.11682	25.2
137.09624	5.0
137.13297	7.0
145.10117	17.0
147.11655	27.5
149.13252	18.0
159.11649	16.4
161.13225	26.2
163.14832	8.6
173.13220	13.9
175.14799	18.0
177.12790	4.7
177.16377	7.3
187.14854	16.3
191.17947	44.4
201.16394	15.9
215.17900	5.9
217.19508	63.8
231.21146	15.2
257.22629	68.8
275.20108	28.3
275.23676	100.0
275.27701	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	275.2003
Annotation	Dicranin
Peak:m/z	Relative Intensity
50.83223	1.3
53.03929	2.5
53.95867	1.1
55.01625	1.8
55.01867	18.5
55.05506	22.1
55.99807	1.1
57.03432	1.3
57.07063	1.7
59.18205	1.2
65.03929	2.1
67.05500	31.0
69.03401	1.2
69.07058	15.9
71.04987	2.5
76.63954	1.2
79.05019	2.1
79.05484	35.8
81.03403	2.2
81.07047	51.3
83.04954	3.8
83.08591	7.3
91.05468	64.1
93.07030	32.2
95.01304	1.5
95.04955	6.9
95.08590	19.6
97.06525	20.3
97.10182	3.0
103.05440	3.5
105.07020	91.8
107.04942	13.6
107.08581	20.3
109.06499	8.9
109.10142	9.0
111.08055	1.3
115.05379	2.0
116.06202	1.4
117.07001	15.3
119.08569	48.7
121.06509	4.5
121.10139	12.1
123.08037	3.0
123.11632	3.1
125.09631	2.1
129.06963	2.9
131.08551	23.8
133.06619	1.4
133.10112	57.0
135.08025	5.1
135.11664	5.2
137.09605	3.7
143.08548	3.0
145.06462	2.2
145.10115	19.4
147.10577	1.8
147.11679	22.7
149.09583	13.6
149.13213	3.4
151.11224	2.2
151.45009	1.5
155.08519	1.8
157.10153	3.3
159.11679	9.7
161.13205	5.9
163.11140	6.8
165.09143	2.0
169.10100	2.9
171.11674	1.5
173.13248	3.2
175.11118	1.4
183.11613	3.0
185.13101	1.5
187.11212	1.9
197.13213	2.3
215.17961	1.7
229.19473	3.6
229.47833	1.3
233.15524	1.8
239.17957	4.7
247.20641	3.7
257.19003	12.7
275.20029	100.0
276.20413	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2002
Annotation	Dicranin
Peak:m/z	Relative Intensity
53.03934	2.4
55.01870	4.1
55.05277	1.3
55.05508	15.1
57.03411	1.5
59.21226	0.8
59.34293	0.8
65.03912	1.2
67.05145	1.1
67.05496	19.6
69.03432	1.2
69.07062	10.4
71.04977	1.7
71.47714	1.5
79.05487	26.4
81.07050	27.1
83.04948	3.2
83.08612	6.1
91.05472	41.4
93.07035	20.1
95.04955	4.7
95.08602	14.4
97.06519	4.1
97.10132	3.3
103.05450	2.7
105.07018	58.1
107.04936	6.0
107.08573	17.8
109.06503	5.2
109.10140	6.4
111.08070	1.5
115.05499	1.2
117.07003	10.8
119.08572	35.6
121.06474	5.0
121.10145	8.2
123.08054	2.6
123.11703	1.4
125.09634	2.1
128.06175	1.3
129.06955	2.9
130.07704	1.1
131.08542	17.4
133.06479	1.4
133.10115	37.8
135.08029	3.6
135.11685	5.2
137.09581	2.9
143.08513	2.5
145.10115	17.2
147.08023	1.6
147.10590	1.6
147.11678	23.3
148.08875	1.0
149.09636	7.1
149.13245	2.0
151.11107	2.0
155.08530	1.7
157.10097	3.4
159.11688	9.6
161.09570	1.3
161.13271	6.6
163.11172	5.2
165.09102	1.1
165.12703	1.1
169.10083	1.8
171.11665	2.5
173.13225	5.1
175.11150	2.2
183.11661	2.5
187.11191	1.5
187.14751	1.0
189.12746	1.4
193.12210	1.1
197.13220	2.2
201.12773	1.9
211.14906	1.2
215.17941	2.1
229.19522	2.6
233.15417	0.9
233.18947	1.4
239.17932	5.9
247.20583	3.5
257.19031	10.7
273.51941	0.8
275.20038	100.0
276.20364	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	Dicranin
Peak:m/z	Relative Intensity
52.12485	1.3
53.03924	2.7
55.01855	6.4
55.05262	2.1
55.05500	19.2
57.03425	4.2
57.07061	2.3
65.03927	2.8
67.05499	33.0
69.07057	11.7
70.88724	4.1
71.04977	2.7
79.05482	37.9
81.03391	3.8
81.07047	99.8
82.07394	1.6
83.04959	4.9
83.08601	9.1
85.06509	3.0
91.04932	2.4
91.05471	38.5
93.07033	26.7
95.04950	11.0
95.08586	20.6
97.06506	6.9
97.10151	2.3
99.08096	2.8
105.07018	37.7
107.04929	7.6
107.08582	20.9
109.06509	37.9
109.10162	7.1
111.08118	2.1
116.98315	1.4
117.07020	8.4
119.08572	29.9
121.06477	8.6
121.10133	13.4
123.08060	8.3
123.11693	2.4
129.07005	3.2
131.08557	16.7
133.06456	2.3
133.09174	2.5
133.10112	26.8
135.08031	9.8
135.11664	6.4
137.09584	4.5
143.08522	3.6
145.10103	13.8
147.08026	2.4
147.11650	21.3
149.09586	7.7
149.13228	4.9
151.11150	2.5
151.80316	1.5
157.10083	2.9
159.11658	10.0
161.09586	2.1
161.13255	5.1
163.11137	5.1
163.14749	3.0
165.12662	2.0
171.11598	3.4
173.13261	5.8
175.11157	3.6
175.14906	2.0
176.78877	1.5
183.11691	2.0
186.48270	1.7
187.11211	1.8
187.14792	2.6
193.12207	5.9
197.13232	2.2
201.16331	1.9
205.15767	1.9
217.15733	1.5
229.19498	3.5
239.17999	2.6
247.20648	6.9
257.18945	9.9
275.20032	100.0
276.20349	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	275.2003
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
51.90657	1.8
53.03933	3.6
53.15874	1.7
55.01854	5.1
55.05505	16.0
57.07074	2.1
67.05492	25.0
69.07060	12.1
69.72340	10.3
71.04982	2.2
76.04670	1.9
79.05065	3.2
79.05487	28.5
81.07046	25.5
83.04966	3.3
83.08603	6.9
91.05470	35.7
93.07031	30.1
95.04952	6.7
95.08591	19.7
97.06523	4.6
97.10131	5.0
102.65410	2.1
105.04558	1.8
105.07018	53.3
107.04958	3.4
107.08569	22.0
109.06466	4.5
109.10128	9.4
111.08095	2.2
117.06992	11.9
119.08569	39.1
121.06465	4.9
121.10133	15.5
123.08068	5.4
123.11671	3.5
129.06993	6.4
129.66405	2.3
131.08548	15.1
133.06482	4.1
133.10112	33.1
135.08078	6.3
135.11684	5.6
137.09599	3.2
143.08510	4.2
144.35957	1.7
145.10107	20.7
147.11659	20.5
149.09596	16.0
151.11180	6.9
155.08426	2.1
157.10123	5.6
159.11673	11.5
161.09650	2.4
161.13242	6.7
163.11171	8.3
165.12720	3.7
169.10089	5.5
171.11707	3.1
173.13255	5.6
175.11165	2.9
175.14772	3.5
177.12799	2.9
183.11659	3.2
191.14355	2.2
197.13266	3.4
215.14354	2.3
229.19496	5.1
239.17972	11.8
257.18872	13.7
275.05057	2.9
275.20029	100.0
275.27737	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	275.2003
Annotation	Dicranin
Peak:m/z	Relative Intensity
50.49204	1.3
53.03943	3.3
55.01867	2.0
55.05278	1.4
55.05503	17.8
57.03425	1.6
65.03934	1.9
67.05492	26.0
67.38257	1.1
69.03434	2.5
69.07059	12.3
69.56953	10.9
71.04978	2.7
79.05486	31.8
81.03404	3.5
81.06607	2.1
81.07047	27.5
83.04997	2.4
83.08601	6.4
84.81796	1.1
85.06507	1.6
91.05470	53.3
91.06046	2.7
93.07035	24.1
94.53985	1.1
95.04956	5.8
95.08600	16.5
97.06507	2.3
103.05434	2.0
105.07018	64.3
106.07363	1.4
107.04922	5.0
107.08585	16.2
109.06500	3.8
109.10142	8.1
112.89314	1.3
117.06995	16.7
118.07668	1.4
119.08572	47.2
121.06485	4.0
121.10136	8.4
123.08064	3.4
123.11710	1.3
125.09689	2.0
129.07002	3.3
130.76823	1.2
131.08536	18.6
133.06517	1.6
133.10117	43.0
135.08037	4.2
135.11676	5.1
137.09595	2.6
142.07819	1.3
143.08528	2.5
145.10120	17.4
147.08058	2.2
147.11674	26.4
149.09615	7.0
151.11177	1.5
155.08624	1.4
157.10147	3.0
159.11671	9.7
161.13231	6.8
163.11157	2.0
169.10080	2.4
171.11681	3.6
173.13275	8.6
175.11176	1.3
183.11668	2.2
187.11218	2.7
187.14735	2.0
197.13251	2.8
229.19472	4.5
233.15300	2.1
239.17938	4.9
247.20549	4.5
257.19046	7.6
275.20032	100.0
276.20367	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	275.2002
Annotation	Dicranin
Peak:m/z	Relative Intensity
50.30877	1.1
50.88664	1.1
53.03926	2.9
55.01851	5.2
55.05507	16.0
57.03422	5.1
57.07065	1.2
65.03913	2.7
67.05498	33.5
69.03423	5.9
69.07059	11.8
70.20432	6.2
71.04967	5.4
77.03905	1.2
77.71699	1.2
79.05485	44.6
81.03407	10.3
81.07047	67.8
82.37166	1.2
83.04959	4.1
83.08589	5.2
91.05466	37.1
93.07036	27.4
93.07589	0.9
95.04958	11.3
95.08595	16.3
97.06500	6.2
97.10155	2.6
98.20770	1.9
99.08071	2.0
103.05428	1.5
104.06245	1.1
105.07018	43.2
107.04933	15.5
107.08584	18.9
107.97974	1.2
109.06505	27.7
109.10130	6.8
110.72200	1.1
111.08096	2.4
117.07000	11.9
117.21775	1.3
119.08563	34.0
121.06502	10.4
121.10143	12.1
123.08058	6.9
123.11689	3.7
129.06984	3.0
131.08565	16.5
133.06479	1.7
133.10110	25.5
135.08060	8.3
135.11674	5.6
137.09592	3.8
142.07732	1.5
143.08517	3.1
145.10104	14.9
147.11671	19.7
149.09601	11.8
149.13235	4.4
151.11150	3.8
155.08583	1.6
157.10120	3.8
159.11694	9.5
161.09618	2.6
161.13243	4.4
162.06679	1.2
163.11134	6.2
163.14882	1.2
165.12685	2.3
169.10132	1.3
171.11676	4.7
173.09601	1.7
173.13216	7.1
175.11186	2.5
177.12645	1.3
183.11647	2.3
185.13205	1.5
187.11133	1.8
187.14848	2.7
191.14346	2.3
193.12296	1.9
197.13234	3.0
201.12776	1.9
213.16273	1.5
229.19530	3.7
239.17924	3.1
243.57036	1.3
247.20563	5.8
257.18979	9.2
275.20041	100.0
276.20483	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2002
Annotation	Dicranin
Peak:m/z	Relative Intensity
53.03929	4.3
55.01859	6.0
55.05506	20.5
57.03426	3.6
57.07062	1.8
58.98977	1.8
63.70462	1.9
65.03930	4.7
67.05502	33.0
69.03417	3.3
69.07061	15.2
71.04984	3.3
71.61845	3.6
76.81895	1.7
79.05489	47.3
81.03399	5.9
81.07049	100.0
83.04966	3.5
83.08591	7.5
85.06554	1.9
91.05470	50.5
91.06041	2.5
93.06517	2.3
93.07043	37.2
95.04952	10.8
95.08598	25.8
97.06509	4.4
105.07021	55.1
107.04926	14.5
107.08592	22.0
109.06512	31.0
109.10127	9.0
111.08095	3.3
117.07007	15.0
119.08564	33.3
121.06521	8.9
121.10125	14.4
122.96922	1.8
123.08076	8.8
123.11699	3.1
125.09585	1.9
129.06993	5.3
131.08551	17.3
133.06467	3.5
133.10118	29.7
135.08095	7.8
135.11664	5.9
137.09575	5.7
143.08565	3.7
145.10120	14.8
147.11650	20.3
149.09593	7.4
149.13254	5.2
151.07561	2.5
151.11195	4.0
155.08585	2.3
157.10127	4.1
159.11664	10.4
161.09621	3.4
161.13213	5.6
163.11153	7.5
163.14859	2.3
165.12770	2.0
169.10062	1.7
171.11653	1.7
173.13223	4.3
175.11136	4.1
183.11615	3.5
187.14848	2.3
189.12621	1.7
193.12227	3.9
195.53720	1.7
197.13243	1.9
205.15855	1.6
219.17477	2.0
229.19530	4.3
239.17886	5.2
247.20621	5.4
257.19046	9.3
275.20038	81.7
275.23047	3.9
276.20428	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2004
Annotation	Dicranin
Peak:m/z	Relative Intensity
52.82071	2.0
53.03927	6.0
55.01863	5.3
55.05518	16.7
57.03423	8.6
57.07070	4.9
67.05499	35.0
69.03427	3.0
69.07062	13.1
70.01188	11.0
71.04981	5.9
75.87713	1.9
79.05488	45.1
81.03394	5.8
81.07050	89.8
83.04985	4.8
83.08601	7.9
83.41165	2.1
85.06540	2.6
88.07651	3.3
91.05481	52.3
93.07041	33.7
95.04951	8.4
95.08598	26.0
97.06519	6.4
98.20685	3.9
99.08086	2.6
103.05436	2.3
105.07025	51.4
106.79675	1.7
107.04942	7.9
107.08596	19.0
108.26116	1.7
109.06512	33.7
109.10143	7.4
111.08079	2.2
117.07017	14.0
119.08573	34.3
121.06442	4.9
121.10125	13.5
123.08047	5.8
123.11655	4.7
129.06984	2.8
131.08554	18.4
133.10120	34.1
135.08026	8.8
135.11681	4.6
137.09625	3.6
143.08562	4.9
145.10130	16.4
147.08031	2.5
147.11662	23.0
149.09604	7.7
149.13275	5.8
151.11104	2.2
155.08505	2.9
157.10130	4.4
159.11696	17.0
159.26328	2.0
161.13231	6.4
163.11153	7.7
163.14743	2.5
169.10034	2.5
171.11690	3.8
173.13263	6.7
175.11179	3.2
177.12683	3.3
178.14731	2.0
183.11690	4.2
185.13242	5.1
187.14742	2.7
193.12177	4.5
194.08519	2.2
197.13249	3.0
201.16353	4.2
203.14334	3.9
205.12143	2.0
219.17416	18.9
229.19461	3.7
239.17879	2.1
247.20575	6.6
257.18927	8.3
275.05032	4.2
275.20038	100.0
275.27771	23.6
276.20142	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2004
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.9
55.01846	3.1
55.05507	11.6
67.05186	1.3
67.05500	15.8
69.07063	8.0
71.04981	1.7
71.37650	1.1
71.37969	2.2
79.05492	17.3
81.07055	14.3
83.04932	1.7
83.08611	3.5
91.04929	2.3
91.05468	34.5
93.07037	15.1
95.04978	2.4
95.08591	12.9
97.06532	2.6
97.10143	2.4
103.05453	1.4
105.07021	58.8
107.04937	2.1
107.08042	1.1
107.08590	14.2
109.06514	2.3
109.10136	4.9
117.07005	10.5
119.08567	30.4
121.06466	2.8
121.10130	4.8
123.08074	1.5
127.50199	1.2
131.08568	15.6
133.10117	37.2
133.11153	2.0
135.08023	3.1
135.11670	3.7
137.09586	1.3
143.08492	3.2
145.10120	18.0
147.07990	1.4
147.11667	25.3
149.09576	3.4
157.10115	2.8
159.11739	7.6
161.13232	4.4
163.11165	4.1
171.11688	2.2
173.13208	3.6
183.11642	2.7
185.13226	1.6
197.13258	3.3
229.19559	1.9
239.17880	4.6
241.85678	1.2
247.20589	2.4
257.18967	9.5
270.96747	1.2
275.20041	100.0
276.20380	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	275.2002
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
53.03942	2.4
55.01863	2.5
55.05272	1.3
55.05510	14.2
56.84123	1.5
57.03420	4.1
67.05498	21.7
69.06804	1.1
69.07066	11.2
70.48800	2.7
70.49152	4.1
71.04984	1.6
73.06529	1.3
73.41755	1.5
79.05485	28.3
81.07051	33.7
83.04966	2.0
83.08594	4.3
85.06526	2.0
91.05468	41.8
93.07037	24.3
95.04958	3.2
95.08594	14.5
97.06532	1.5
103.05450	2.5
105.07018	50.5
105.07723	2.9
107.04939	6.9
107.08586	16.9
109.06512	8.7
109.10145	6.6
117.06993	10.7
118.07850	1.9
118.57846	1.2
119.08563	36.5
121.06496	4.9
121.10135	9.6
123.08031	5.3
129.06978	3.6
131.08562	13.1
133.10118	37.6
135.08035	6.9
135.11700	4.6
137.09586	4.5
141.06979	1.2
143.08534	2.3
145.10088	13.4
147.08041	2.4
147.11678	19.9
147.12750	2.4
149.09628	8.0
149.13274	2.6
151.11186	2.8
157.10139	3.2
159.11707	9.8
161.09555	2.0
161.13254	5.1
163.11153	3.9
164.40968	1.7
169.10097	2.5
171.11671	2.9
173.13251	5.0
175.11185	1.4
175.14856	2.3
183.11719	3.1
185.13132	2.0
193.12215	1.6
197.13312	3.5
201.16382	2.2
203.14307	2.9
213.16412	1.6
229.19452	3.2
239.17844	5.0
247.20540	3.7
257.19000	8.6
275.20035	100.0
276.20413	2.9
293.12408	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2003
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
53.03931	1.2
55.01868	3.5
55.05505	13.1
57.03415	3.1
57.07061	1.7
61.85174	0.7
65.03928	1.5
67.05496	18.6
69.03431	0.8
69.07060	8.1
69.76312	3.7
69.76720	1.4
70.06570	2.0
71.04967	2.0
77.03873	0.7
79.05486	23.4
81.03408	0.9
81.07051	23.1
83.04954	3.2
83.08599	6.8
85.06533	1.9
88.07614	1.5
91.05472	31.5
93.07040	22.6
93.07613	0.7
95.04954	4.6
95.08596	13.8
97.06509	2.2
97.10148	2.7
99.08085	0.8
100.65057	0.7
103.05428	1.7
105.07018	47.4
106.07334	1.0
106.08620	1.2
107.04929	6.0
107.08569	14.5
109.06488	4.5
109.10140	7.6
111.08054	1.8
117.07003	9.3
118.07751	0.8
119.08568	30.4
121.05712	0.6
121.06450	3.9
121.10130	9.3
123.08062	2.3
123.11720	2.0
125.09637	2.1
129.06976	2.6
131.08560	13.5
133.06458	1.9
133.10115	29.8
135.08020	4.2
135.11659	3.6
137.09581	2.1
141.06949	0.9
143.08537	2.5
145.10118	13.6
147.08005	1.8
147.11671	17.4
149.09596	13.4
149.13225	1.8
151.11209	1.9
153.09023	0.9
155.08577	1.4
157.10106	3.4
159.08061	0.9
159.11639	9.2
161.09569	1.7
161.13261	5.8
162.88190	0.7
163.11137	6.3
167.10600	0.9
169.10136	2.5
171.11665	3.4
173.13234	4.4
175.11174	2.0
177.12801	1.5
183.11618	2.1
185.13240	2.6
187.11220	0.9
187.14685	0.8
187.87029	0.9
197.13235	1.2
201.12692	1.4
203.14349	1.4
215.14281	0.8
215.17879	1.6
229.19427	2.8
239.17957	5.9
247.20573	2.5
257.18942	10.0
257.26706	1.3
273.11850	0.9
275.20032	100.0
275.27725	21.9
276.20291	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2004
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82501	0.9
52.80789	0.8
53.03934	1.8
54.40422	0.8
54.88205	0.9
55.01856	3.0
55.05504	10.7
57.03424	2.8
57.07058	2.6
59.72343	0.9
60.41398	0.9
66.11378	1.0
67.05193	1.3
67.05501	16.0
67.44986	0.9
69.07062	10.1
70.06577	2.8
70.07662	2.4
70.08078	2.5
71.04967	2.3
79.05489	18.0
81.06605	1.6
81.07053	19.2
83.04947	1.1
83.08611	6.4
85.06533	2.2
85.52332	0.8
88.07605	3.0
91.05470	36.5
93.07039	15.7
95.04953	3.7
95.08589	10.9
97.06504	2.4
97.10158	2.0
98.20785	1.1
103.05435	1.5
105.07019	55.7
106.08649	1.2
107.04926	2.3
107.08568	9.5
109.06490	3.8
109.10115	3.6
111.08049	0.9
115.05467	1.3
117.07032	11.2
119.07738	2.0
119.08570	34.8
121.06506	2.0
121.10126	5.5
123.08076	1.1
123.11607	0.9
129.06964	2.9
131.08556	11.5
133.10118	27.6
135.08005	1.9
135.11690	1.2
137.09612	1.3
141.06952	1.2
143.08516	1.7
145.10120	14.1
147.07976	1.0
147.11670	24.2
149.09607	3.0
149.13271	1.3
155.08614	1.5
157.10072	3.1
159.11691	10.6
161.09644	1.3
161.13243	9.3
163.11133	2.1
163.22575	0.8
169.10144	1.3
171.11661	3.0
173.13271	4.7
183.11681	2.5
185.13176	4.6
187.11172	1.3
193.44801	1.1
197.13268	2.1
203.14287	2.0
215.17720	0.9
219.17343	1.2
229.19446	1.0
239.17851	4.8
257.18979	8.5
257.26669	0.9
275.20032	100.0
275.27698	28.8
276.20425	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2004
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
53.03933	1.3
55.01852	2.3
55.05509	9.7
57.03423	0.9
57.07075	1.3
59.04975	0.9
65.03912	1.1
67.05498	13.7
69.03435	1.0
69.07063	7.3
70.06612	1.1
70.17308	2.8
70.17725	1.6
71.04969	2.4
71.08612	1.4
75.28685	0.7
79.05488	14.3
81.07053	15.8
83.04951	2.1
83.08617	3.8
84.08119	1.6
85.06535	0.8
88.07600	1.1
91.05475	34.2
93.07035	12.9
95.01924	0.9
95.04974	3.7
95.08591	9.7
97.06513	2.8
97.10148	1.4
100.89729	0.9
103.05458	1.1
105.07020	39.9
107.04962	2.0
107.08583	11.0
109.06502	2.7
109.10130	3.4
111.08050	1.1
115.05441	1.1
117.07005	8.0
119.08577	25.4
120.08898	0.8
121.06490	2.9
121.10125	5.2
123.04406	0.9
123.08047	2.1
123.11698	1.4
125.09647	1.0
128.06276	0.9
129.06984	2.1
131.08551	11.4
133.09174	1.6
133.10120	24.1
135.08029	3.4
135.11690	3.0
137.09621	1.4
143.08542	2.0
145.10112	12.1
147.07986	1.3
147.11667	15.9
148.12027	1.0
149.09593	4.6
155.08549	1.0
157.10136	2.3
159.11658	6.4
161.09618	1.8
161.13245	5.2
163.11205	2.7
169.10170	1.0
171.11673	1.9
173.09651	0.8
173.13280	4.7
175.11232	1.1
175.14740	1.1
177.12692	1.4
183.11662	1.5
187.11118	0.9
197.13226	1.2
213.16420	0.9
215.11264	1.4
215.14311	1.0
215.17915	1.4
229.19566	2.2
239.17953	2.9
253.12714	1.6
254.54506	0.9
257.19016	6.0
271.13858	2.4
275.05026	2.1
275.20041	100.0
275.27762	2.5
276.20309	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2003
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
53.03935	4.0
54.93394	1.9
55.01840	3.1
55.05505	18.6
59.03544	1.9
65.03906	1.9
67.05505	26.2
69.07057	9.0
70.93490	6.7
77.50667	2.0
79.05492	29.7
79.67939	2.2
81.07047	20.3
83.04916	3.5
83.08601	9.2
85.06544	2.0
91.05472	47.6
91.32918	1.9
93.07040	26.7
95.04947	6.3
95.08611	15.0
97.06551	4.7
97.10161	3.8
105.07024	66.2
107.04912	4.1
107.08584	20.5
109.06487	6.5
109.10139	10.3
115.05314	2.0
117.07021	15.0
119.08580	39.9
121.06480	5.2
121.10139	11.4
123.08042	3.5
123.11695	2.6
129.07002	4.5
130.07784	2.3
131.08549	18.0
133.06468	4.7
133.10123	29.6
135.08037	8.6
135.11673	5.4
137.09604	2.8
145.10103	24.6
147.11668	15.6
148.08859	2.3
149.09546	12.1
149.13301	2.4
151.11148	4.9
155.08507	2.8
157.10135	4.9
159.11673	8.1
161.09671	2.3
161.13258	6.3
163.11163	5.9
165.12743	2.8
169.10136	4.4
171.11633	3.1
173.13182	3.4
175.11208	3.9
177.12694	2.6
183.11789	3.4
197.13269	4.9
215.17946	2.7
229.19495	7.0
239.17982	13.2
247.20322	2.4
257.18982	11.9
267.16217	2.4
275.20038	100.0
275.23047	4.9
276.20331	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
53.03933	1.7
54.18311	0.9
55.01859	2.8
55.05501	14.4
56.15269	0.8
57.03422	1.9
57.07065	1.5
58.94827	0.9
61.15266	1.0
65.03918	1.1
67.05499	22.2
68.20524	1.0
69.07059	9.1
70.06576	1.9
71.04980	1.6
71.75358	1.3
79.05488	24.6
81.07046	23.2
83.04953	4.1
83.08625	5.2
86.85395	1.0
88.07615	2.4
91.04912	2.0
91.05470	33.7
93.07031	23.7
95.04970	4.6
95.08592	15.9
97.06512	7.3
97.10151	3.1
103.05379	1.1
105.07018	47.3
107.04939	4.5
107.08575	19.9
107.09240	1.7
109.06512	5.5
109.10151	8.1
110.06883	1.0
111.08053	3.1
115.05427	1.0
117.07008	11.6
117.41563	1.0
119.07732	1.8
119.08571	33.3
121.06529	5.1
121.10121	10.4
123.08025	4.4
123.11727	1.2
125.09631	1.8
129.07019	2.4
131.08554	15.9
132.55304	1.0
133.06447	3.0
133.10109	31.9
135.08040	6.0
135.11703	5.6
137.09589	5.1
139.11139	1.3
141.06995	1.8
143.08519	3.4
145.10106	15.8
146.30820	0.9
147.08011	3.2
147.11670	15.2
149.09587	15.9
149.13283	2.4
151.11157	5.1
155.08539	2.8
157.10126	3.8
159.11702	10.4
161.09586	2.3
161.13268	5.6
163.11172	11.6
165.12712	2.8
167.10565	1.1
169.10114	2.8
171.11707	3.7
173.09496	1.2
173.13235	6.6
173.52966	1.0
175.11166	3.2
175.14819	1.9
177.12729	2.5
183.11665	3.7
185.13287	1.1
187.11194	1.7
187.14796	1.5
189.12720	1.7
191.14206	1.4
193.12086	1.1
197.13203	3.2
201.12733	1.8
204.62677	0.9
207.20172	1.0
213.16380	1.7
215.14290	1.5
215.17966	2.8
229.19409	4.6
239.17926	15.4
247.20500	3.2
257.19009	18.5
275.05029	2.7
275.20029	100.0
275.27719	18.0
276.20389	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2002
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
53.03933	2.7
54.55779	1.0
55.01864	9.6
55.05502	17.6
65.03888	1.0
66.34563	0.9
67.05494	19.9
69.07059	10.8
69.46204	1.7
69.46609	9.4
79.05482	21.1
81.03426	1.3
81.07043	38.0
82.87788	1.6
83.04970	3.0
83.08617	6.5
85.06518	1.5
87.44041	1.0
90.45482	1.0
91.05465	57.3
93.07030	21.2
95.04379	0.9
95.04940	5.0
95.08591	14.0
97.06523	11.1
97.10152	2.4
103.05424	3.9
105.07016	100.0
106.07346	1.1
107.04928	6.2
107.08579	12.1
109.06539	1.2
109.10130	3.5
115.05431	1.8
117.07017	10.5
119.08566	43.9
119.09412	2.5
121.06526	1.3
121.10142	4.8
123.11674	1.6
125.09644	1.7
129.06944	1.9
130.07776	1.4
131.08562	19.9
132.09308	1.3
133.10114	59.5
135.08040	1.6
135.11665	3.2
137.09489	1.1
143.08575	1.6
145.10124	17.7
147.11665	22.5
149.09593	2.9
149.13303	1.5
151.11218	2.2
155.08575	1.6
157.10158	2.5
159.11621	6.3
161.13254	2.8
163.11127	1.8
163.51271	1.1
169.09940	1.1
171.11644	2.9
172.14320	1.3
173.13272	2.3
177.12862	1.1
183.11649	1.8
189.67535	1.0
197.13219	2.5
229.19611	1.2
239.17848	1.9
247.20525	2.8
257.18979	7.3
275.20035	74.1
276.20328	2.5
296.43405	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.16
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	1.5
56.05024	3.1
67.05490	2.8
69.03448	0.7
69.07053	1.6
70.06591	3.9
71.39140	2.0
72.08155	3.7
74.23341	0.7
79.05480	1.8
81.03371	0.8
81.07048	2.1
82.43418	0.7
83.04967	0.8
84.04498	36.5
84.08135	4.0
85.02884	1.9
85.42075	0.6
86.09698	100.0
87.10049	0.9
88.03101	0.6
91.05481	3.5
93.07047	1.9
95.01328	5.6
95.04974	1.0
95.08614	1.1
97.02912	0.8
98.06068	0.7
102.05532	11.6
102.06139	1.2
103.05408	0.7
105.07040	2.6
107.04932	1.1
107.08592	1.2
109.06509	1.4
109.10169	1.2
110.07172	1.1
115.05457	0.7
116.07098	3.4
117.07009	0.9
120.01149	0.9
120.08096	1.4
121.10177	0.9
121.67958	0.7
126.06642	1.5
129.10231	1.2
131.08569	1.1
133.10165	2.1
137.09587	1.0
141.06975	0.7
144.06551	38.5
145.10150	1.3
146.05966	0.8
147.04419	1.0
150.05481	1.0
159.11693	0.9
162.07608	67.8
163.07986	0.8
168.08807	1.2
173.06024	2.3
183.05138	0.8
183.55130	1.2
184.05110	0.8
188.07124	1.3
193.57030	0.8
197.06015	1.0
209.33733	0.7
215.06990	4.0
215.13951	2.5
229.04942	0.8
243.06543	1.3
243.13504	0.8
257.12756	1.2
257.15228	0.9
275.05026	1.1
275.13669	1.4
275.16089	9.5
275.20053	2.5
299.61127	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.1103
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.9
55.05495	2.5
56.05030	1.2
56.96566	5.5
56.96829	0.9
57.03425	1.2
58.06595	1.1
60.04513	1.7
61.02896	0.7
67.05489	1.8
69.03407	2.8
69.07073	1.1
70.06582	5.1
71.04996	1.7
71.70818	0.5
71.71309	0.8
72.08154	7.4
73.08467	1.0
76.47546	0.6
79.05476	1.0
81.03407	2.8
81.07023	1.5
82.06546	0.8
83.08572	0.8
84.04490	3.2
84.08141	10.7
85.02884	4.1
86.06046	0.9
86.09676	2.5
90.94799	0.7
91.05470	1.9
93.07022	1.4
95.04953	1.3
95.08603	0.7
96.04494	1.1
97.02909	3.0
97.06500	1.4
98.97568	5.3
99.04417	1.2
100.07607	0.7
101.00863	0.9
101.02451	0.7
105.03377	0.6
105.07018	1.6
107.04941	1.1
107.08580	1.0
107.98833	0.6
109.02851	1.4
110.07180	2.1
112.11241	1.6
113.05979	0.8
115.05414	0.6
116.98626	4.2
119.01907	6.4
119.08592	1.5
120.02174	0.6
121.01664	0.6
123.04456	0.9
125.07112	1.9
127.03867	1.0
128.98619	1.2
129.10213	2.2
130.08614	1.2
131.01921	1.9
133.03430	0.8
133.10149	1.1
134.99675	2.5
136.07579	1.4
137.02962	2.0
140.07129	0.8
141.10297	0.7
143.01915	2.1
143.05687	0.8
145.03453	2.3
146.99658	1.6
147.04408	0.7
147.11563	0.8
149.96162	0.6
155.01900	1.8
157.06433	1.0
158.99648	0.9
159.05098	0.8
159.11577	0.7
161.02962	4.5
165.05449	0.6
169.03391	0.9
169.09721	1.4
172.07507	0.7
173.02953	2.2
176.12343	0.8
177.00713	1.2
184.04799	0.8
185.02866	0.8
185.06631	1.4
189.02357	0.8
190.98705	1.1
203.07666	1.2
215.07819	0.8
221.05043	2.2
229.00221	0.8
229.04980	1.1
231.11240	0.8
237.02806	1.4
252.99989	0.7
257.19067	0.8
275.11023	100.0
275.20221	4.5
276.11502	1.4
293.03763	0.9
293.10788	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.11
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	1.1
56.05025	1.5
56.96559	1.4
57.03437	1.6
67.05498	4.5
69.03428	1.2
69.07053	3.0
70.06573	3.9
70.19587	5.4
72.08146	4.6
72.93771	2.0
79.05492	2.7
81.03452	1.2
81.07051	2.2
84.04482	4.2
84.08120	5.5
85.02899	1.8
86.09702	3.0
91.05479	3.1
93.07050	1.7
95.01282	1.2
95.04966	2.2
95.08589	1.7
96.04454	1.2
97.02850	1.4
97.06506	4.0
98.20800	1.9
98.21373	1.5
98.97610	1.3
99.04407	1.1
99.08125	1.0
105.06998	2.9
107.08571	1.3
114.05556	0.9
119.01902	1.9
119.08569	1.7
121.06500	1.1
127.03943	1.2
129.03676	1.4
129.10234	1.5
130.04964	2.4
133.10121	2.0
135.08081	1.0
137.07095	2.9
141.06723	1.2
142.05055	0.9
145.10110	1.6
147.11597	1.1
151.03783	1.0
160.98982	1.3
172.97762	0.9
179.04781	1.5
185.06592	1.6
203.07339	0.9
229.08653	1.1
230.11754	1.3
238.72391	1.0
275.10999	100.0
275.19949	5.5
291.57272	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.0245
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	1.0
58.42986	1.0
58.99855	2.5
60.04503	2.1
60.05658	1.0
70.06576	4.6
70.66284	1.6
71.04980	2.1
71.06905	1.4
72.08143	2.2
74.00655	0.9
77.00951	1.2
81.03392	1.9
82.06591	1.4
82.99866	1.4
83.06052	1.0
84.04482	2.6
84.08140	8.6
87.53706	1.0
90.17720	0.9
91.50745	1.1
96.04468	1.1
98.03525	1.5
98.21107	2.1
101.00871	19.4
101.07093	1.1
103.02412	3.1
106.06556	1.0
108.04489	2.0
116.98676	0.9
117.03974	6.2
119.01910	100.0
120.01183	1.6
120.01980	1.9
121.03468	1.4
125.07135	7.2
127.02380	3.9
127.06646	1.1
129.10205	2.0
129.17766	0.9
130.75531	1.3
135.05028	3.9
137.02951	31.7
137.38768	1.0
138.03091	1.2
142.03496	1.9
143.01918	2.0
145.03452	38.8
147.01357	2.4
156.27011	1.0
159.05017	36.1
159.06288	2.4
161.02945	2.4
163.04520	13.4
165.02530	1.9
169.03491	3.8
171.01402	2.4
172.04254	3.8
177.06061	12.1
182.06612	1.2
185.02899	5.8
187.04475	17.7
187.06116	1.2
189.00818	1.8
189.02425	13.7
191.00285	1.4
203.03975	9.8
205.05621	6.1
207.03481	9.1
213.02473	7.7
215.00517	1.9
221.04967	1.5
226.05554	1.2
231.03500	11.2
233.01425	2.7
237.44832	1.1
249.04552	1.2
252.82339	1.0
274.78113	1.0
275.02383	6.0
275.10675	4.6
293.03485	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	275.0243
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05491	0.6
55.48895	0.7
55.49611	0.5
58.99855	2.9
60.05631	0.7
62.09913	0.5
63.02157	0.5
69.03425	1.4
70.06568	2.8
70.99847	0.7
71.09424	1.5
72.08135	2.1
77.00887	1.5
82.99821	1.5
83.06068	1.0
84.04483	3.4
84.08128	7.1
85.01399	0.6
85.02905	1.5
97.02856	0.6
98.03529	0.9
99.02919	0.8
101.00856	19.5
103.02425	3.8
116.07121	1.0
117.03987	4.9
119.01902	100.0
120.01996	1.7
121.03455	1.3
123.08030	0.8
127.02399	3.8
129.10226	1.9
130.04990	2.0
131.01875	2.4
133.03452	0.7
135.05000	3.9
136.05177	0.6
137.02940	27.0
138.02997	0.6
141.03952	1.6
142.03467	3.8
143.01907	3.9
144.99780	0.9
145.03438	41.6
145.66068	0.6
146.03560	0.9
147.01421	2.1
147.07637	0.9
155.01883	2.0
156.41063	0.6
157.03448	0.6
159.05016	32.4
160.04524	0.7
161.02936	6.9
163.00813	0.6
163.04501	11.3
165.02437	0.6
167.01897	0.8
168.05032	1.7
169.03447	11.9
170.94257	1.0
171.01363	2.4
172.99315	1.0
173.02919	3.0
175.11884	1.2
176.12277	0.6
177.06061	11.3
179.04022	1.4
182.06546	1.5
185.02922	5.6
187.00943	1.0
187.04494	29.5
188.04591	0.7
189.02423	15.3
191.00302	0.9
200.04424	0.9
203.03969	9.8
205.01974	1.1
205.05553	5.0
207.03496	6.7
210.06128	2.3
212.04065	1.1
213.02417	7.4
215.00444	2.0
221.05032	0.8
229.01985	0.6
231.03464	12.6
233.01486	1.9
254.04942	1.0
257.01389	1.1
257.12283	0.9
258.14493	0.7
275.02469	5.9
275.05927	1.3
275.10654	2.3
275.18988	1.2
293.03506	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.0245
Annotation	Unknow
Peak:m/z	Relative Intensity
58.95405	0.5
58.99856	3.9
69.03413	0.8
69.67390	1.4
69.67806	2.9
70.06573	1.9
71.38380	0.6
72.08138	1.5
77.00898	1.6
82.99815	1.2
83.06066	1.2
84.04501	2.2
84.08133	5.7
85.01431	0.7
85.02883	0.8
97.02869	0.8
98.03539	0.9
98.20848	1.7
101.00863	19.9
103.02420	3.8
117.03978	7.2
119.01907	100.0
120.02051	1.2
121.03436	1.2
127.02402	4.0
129.10207	2.1
130.04955	0.7
131.01872	1.3
133.03477	0.6
135.05045	5.1
137.02937	30.1
141.03952	2.3
142.03508	3.8
143.01878	3.4
144.99800	0.8
145.03442	43.0
146.03561	0.8
147.01355	1.5
147.03810	0.6
155.01927	1.3
158.67816	0.5
159.05014	31.3
159.27119	0.6
160.81413	0.6
161.02943	4.6
163.00859	0.6
163.04498	14.3
165.02466	0.8
167.01860	0.6
168.05009	1.1
169.03452	9.6
171.01376	3.5
172.99260	1.1
173.02927	3.2
175.11891	0.9
177.06088	11.3
179.04019	1.7
182.06635	2.0
185.02921	6.2
186.06059	0.8
187.04510	29.4
189.02422	15.2
191.00294	1.1
203.03996	8.5
205.01945	1.5
205.05556	4.5
207.03468	7.8
210.06076	1.6
211.00867	0.7
212.04063	1.0
213.02412	7.8
215.00359	1.4
221.05042	1.4
229.01923	1.0
231.03497	12.7
233.01462	2.5
249.04614	0.7
257.01358	1.0
275.02493	5.4
275.05542	0.7
275.06271	0.5
275.10666	1.9
275.19073	1.0
293.03403	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	273.2575
Annotation	Trixagoene
Peak:m/z	Relative Intensity
55.05496	20.6
57.07060	7.3
58.59652	5.6
63.20996	5.1
66.66194	5.4
66.74853	6.7
67.05499	37.4
69.07059	49.8
71.15897	15.3
79.05485	18.4
81.07055	76.0
83.08610	19.6
91.05437	13.9
93.07028	47.6
95.08601	100.0
97.10136	15.2
97.41136	5.7
105.07039	21.1
107.08582	76.3
109.10160	64.9
111.11704	6.1
119.08553	32.3
121.10131	53.2
123.11711	43.2
132.91933	5.8
133.10121	22.0
135.11699	35.8
137.13217	13.7
143.64824	5.6
147.11681	23.1
149.13254	51.1
151.14818	8.0
161.13251	31.8
163.14775	33.3
175.14816	15.0
177.16394	17.7
183.03307	5.8
189.16399	20.9
191.17966	10.4
203.17938	23.5
217.19485	33.7
273.25757	91.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	274.9749
Annotation	Unknow
Peak:m/z	Relative Intensity
55.77600	1.0
56.96306	1.1
56.96557	16.0
60.04501	1.1
69.82433	4.7
69.82842	2.3
71.95244	2.4
84.08138	20.9
98.21019	3.3
98.97569	96.5
101.00848	1.4
116.98606	79.8
119.01904	14.4
120.01992	1.6
121.01621	1.1
129.10208	3.7
130.93283	2.5
134.99644	37.4
137.02930	3.1
140.00146	2.5
142.03493	2.8
145.03432	2.7
153.00645	5.1
158.01166	2.4
160.04556	1.3
161.02902	1.6
169.03470	2.1
172.94327	4.1
174.97543	1.4
177.00890	6.5
178.00996	2.1
179.00749	1.4
185.03006	1.3
187.04497	3.7
190.95399	6.3
208.96205	1.4
214.95464	2.7
216.98682	1.8
219.01994	3.2
220.02167	1.7
223.48004	1.0
229.05560	1.4
232.96381	8.5
234.99792	4.8
239.95609	2.0
248.96086	6.2
249.46046	1.8
249.96884	1.3
249.99341	9.3
250.97337	5.3
251.46313	2.6
251.96371	2.2
256.96466	24.5
257.19882	1.0
257.96671	4.2
258.96350	6.9
259.96762	1.4
260.46899	8.6
260.96832	4.8
260.99176	1.1
261.02991	6.0
261.46719	2.0
261.49777	1.8
274.97458	100.0
275.05872	3.7
275.20688	3.6
275.97824	2.7
276.97601	2.0
288.91989	1.3
292.98474	61.3
297.99197	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	273.2211
Annotation	androstenone
Peak:m/z	Relative Intensity
55.05511	8.6
56.14428	1.8
57.07051	4.0
67.05509	10.9
69.07069	9.3
71.04987	17.0
79.05492	11.7
81.07052	38.8
83.08593	6.8
85.06547	3.8
88.87673	2.0
91.05470	14.4
93.07034	24.8
95.04942	4.9
95.08601	25.0
97.10143	4.3
105.07022	45.2
107.08582	25.8
109.06509	9.4
109.10132	13.7
111.08061	13.6
111.57603	1.8
113.09632	9.7
117.06989	8.7
119.08570	61.3
121.10122	24.0
123.08047	3.1
123.11696	11.3
125.09590	1.8
129.06964	5.3
130.07724	3.0
131.08545	25.3
133.10132	17.2
135.07959	2.2
135.11653	7.8
137.09532	1.9
137.13211	3.1
142.07776	2.7
143.08556	13.8
144.09358	2.9
145.08954	3.3
145.10089	34.4
147.08043	4.8
147.11661	15.9
149.09590	2.0
149.13193	9.1
157.10114	14.4
159.11684	52.0
161.09486	2.4
161.13226	17.0
163.11104	2.8
163.14752	2.9
169.10127	2.2
171.11636	12.6
173.13246	19.3
175.14780	5.4
177.12753	12.6
179.14195	2.0
185.13266	10.5
187.14803	7.0
189.16379	6.2
199.14784	21.6
201.16301	2.3
203.14388	2.5
203.17896	2.6
212.47626	2.2
213.16373	14.9
215.17937	65.9
216.18118	1.8
217.15869	3.8
225.43190	2.1
227.17870	5.7
229.19492	11.3
231.17279	2.5
231.21024	3.1
255.21057	62.9
256.21408	2.6
273.18573	15.3
273.22076	100.0
274.22531	1.9
274.27322	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	273.1846
Annotation	Octadeca-8,10,12-triynoic acid
Peak:m/z	Relative Intensity
53.03925	3.0
55.01864	3.1
55.05509	18.3
57.03414	2.4
57.07054	4.6
58.80635	1.3
59.04982	2.6
65.03919	1.7
67.05190	1.6
67.05501	16.6
69.03407	5.9
69.07063	19.2
69.51058	14.0
70.06580	2.6
70.97972	1.6
71.04974	2.8
72.08128	1.7
79.05484	15.3
81.07053	15.7
83.04976	14.7
83.08596	5.7
84.08133	2.6
85.06533	13.0
88.12752	1.4
91.05468	24.6
93.07033	20.4
95.04952	6.0
95.08596	18.0
97.06530	6.9
97.10164	2.1
100.45641	1.6
105.07019	31.1
107.04957	1.9
107.08570	18.4
109.06499	4.4
109.10160	7.9
111.08073	4.5
115.05434	4.2
116.06275	1.8
117.06987	15.0
119.08573	45.4
120.08067	1.6
121.06486	6.0
121.10130	10.0
123.08050	4.4
128.06186	7.6
129.06995	12.9
130.07777	3.3
131.08539	24.3
133.06483	5.3
133.10120	22.7
135.08032	5.6
135.11661	6.9
137.09619	1.7
141.06973	7.2
142.07755	13.7
143.08553	30.7
144.09300	4.2
145.06517	1.9
145.10117	26.2
147.04410	1.7
147.08011	9.0
147.11710	9.5
149.05991	2.2
149.09544	2.2
149.13315	1.6
151.11111	1.5
153.01823	3.9
153.06941	4.4
154.07764	2.0
155.08499	9.2
156.09334	35.5
157.10103	44.3
158.10904	3.3
159.08072	5.1
159.11674	31.2
161.09576	9.4
161.13251	17.6
163.11186	3.3
169.10165	9.6
170.10876	16.5
171.08116	1.7
171.11678	65.4
172.12463	11.6
173.09656	4.4
173.13261	9.6
174.10335	1.7
175.11143	4.3
175.14816	1.9
181.06429	3.2
181.10115	4.6
182.10838	2.1
183.11676	8.8
184.12466	2.8
185.09641	5.7
185.13228	25.6
187.11208	4.6
187.14870	1.9
189.12770	15.6
193.10100	2.6
195.11682	5.9
197.09526	2.3
197.13298	15.9
198.14012	5.4
199.11139	23.9
199.14809	2.4
200.11931	1.9
201.12788	1.9
201.16359	8.3
203.14278	5.4
205.72786	1.5
207.11673	7.2
209.13326	3.0
211.14801	5.8
212.15501	4.9
213.12706	5.6
213.16347	21.3
215.14226	3.0
217.12250	18.1
222.14021	4.6
225.12730	4.2
226.13417	2.1
227.17929	53.2
228.18456	1.9
231.13699	2.1
231.17514	1.5
237.16328	8.5
240.14999	3.5
244.34454	1.3
245.19070	2.6
255.17416	50.1
273.07791	1.8
273.11072	2.6
273.18466	100.0
273.25699	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1847
Annotation	Octadeca-8,10,12-triynoic acid
Peak:m/z	Relative Intensity
55.01864	3.4
55.05490	9.0
57.07068	5.4
63.53580	2.1
67.05501	14.1
69.03410	3.5
69.07066	19.6
70.06582	5.5
71.04971	3.6
71.42449	5.5
79.05478	9.5
81.07052	9.0
83.04977	14.5
83.08592	3.7
84.08125	6.9
85.06544	13.6
91.05469	20.4
93.07039	13.7
95.04961	7.7
95.08584	9.0
97.06507	10.0
103.05460	2.6
105.04455	2.3
105.07027	28.4
107.04930	4.1
107.08602	14.2
109.10168	2.7
111.08100	3.0
115.05461	4.0
117.07003	6.6
119.04920	3.0
119.08574	39.7
121.06487	16.8
121.10130	7.7
123.04453	2.9
123.08084	2.7
128.06209	5.0
129.06964	11.2
131.04906	2.5
131.08571	14.7
133.06500	2.5
133.10107	20.1
135.08052	3.1
135.11661	5.2
137.05954	2.6
140.05971	2.3
141.07031	7.1
142.07784	11.9
143.08557	28.7
144.09245	2.5
145.06421	3.7
145.10120	20.8
147.04417	5.2
147.08064	5.2
147.11693	6.7
149.05989	19.0
151.07523	9.8
152.06207	6.5
153.01866	4.2
153.06996	32.2
155.08562	7.9
156.09337	38.4
157.10138	36.7
158.10869	4.2
159.08098	3.0
159.11679	24.2
160.12578	2.8
161.09592	5.2
161.13269	20.2
165.06993	3.8
166.07635	2.2
167.08540	4.7
169.06509	3.3
169.10118	9.2
170.07254	3.3
170.10852	14.5
171.08015	5.1
171.11674	80.1
172.12451	9.7
173.09621	3.2
173.13264	12.5
175.11235	4.0
181.06456	30.1
181.10095	3.7
182.10788	3.0
183.11711	9.1
184.08745	3.2
184.12477	6.0
185.09636	6.2
185.13220	27.0
186.14011	3.1
187.11154	3.4
189.12738	20.3
192.09360	2.4
195.08047	3.8
195.11674	4.8
197.11566	2.6
197.13251	12.3
198.06760	6.8
198.14012	7.1
199.07419	2.2
199.11171	29.9
199.14813	5.5
201.16388	7.7
203.14439	5.6
207.11700	4.5
209.06097	7.5
211.11209	3.1
211.14799	5.1
212.15567	4.3
213.09135	22.4
213.12762	5.2
213.16333	18.0
215.14218	2.8
217.12207	19.0
222.14127	4.4
225.12796	4.9
227.17928	61.9
237.16359	6.6
240.15106	4.5
241.08536	20.5
245.19135	5.7
255.17439	51.8
258.97946	2.2
273.07617	5.0
273.11139	18.6
273.18491	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1846
Annotation	Octadeca-8,10,12-triynoic acid
Peak:m/z	Relative Intensity
53.03944	2.1
55.01843	3.1
55.05509	14.6
56.96545	1.6
57.03425	2.3
57.07051	6.4
65.03936	3.0
67.05495	21.3
69.03417	5.3
69.07062	17.9
69.67776	11.6
70.06564	2.1
71.04974	3.8
72.08134	6.4
79.05486	17.6
81.03394	3.6
81.07047	18.3
83.04977	11.3
83.08595	7.4
84.08134	2.2
85.06528	12.0
91.05470	29.3
93.07038	21.5
95.04941	7.1
95.08598	19.8
97.06503	6.6
97.10140	2.9
105.07016	36.1
107.04949	2.1
107.08589	19.5
109.06503	6.5
109.10164	7.9
111.08067	3.1
115.05445	4.2
116.06209	2.5
117.07001	15.5
119.04933	3.4
119.08571	37.7
121.06484	6.9
121.10115	10.9
123.04427	2.0
123.08041	4.3
123.11672	2.1
128.06221	6.6
129.07002	17.8
130.07758	5.2
131.08549	30.5
133.06476	6.0
133.10120	23.1
135.08046	7.7
135.11659	5.2
137.05977	1.9
137.09596	2.8
141.06967	7.0
142.07748	14.1
143.08542	27.1
144.09306	5.0
145.06436	4.1
145.10103	32.5
147.04369	5.0
147.08040	5.8
147.11729	7.9
149.05943	3.0
149.09598	5.3
149.13307	2.9
153.01848	11.2
153.06976	5.5
154.07822	1.9
155.08521	9.9
156.08078	1.2
156.09326	27.4
157.06462	1.7
157.10123	35.7
158.10841	3.4
159.08023	4.9
159.11667	25.7
161.09596	10.4
161.13281	14.7
163.11089	2.5
165.07016	1.9
167.08594	3.9
168.09357	1.8
169.10130	7.4
170.10916	9.5
171.07944	3.2
171.11676	57.5
172.08760	1.8
172.12454	5.3
173.09587	5.6
173.13257	11.9
175.11153	5.8
175.14824	1.9
180.09143	1.8
181.06444	7.0
181.10077	4.0
183.11684	7.6
184.12520	4.1
185.09689	3.6
185.13217	19.7
186.14091	2.2
187.11160	5.4
187.14714	1.7
188.11865	2.1
189.12698	16.0
193.10109	3.4
195.11667	5.2
197.13202	14.7
198.13982	4.9
199.11185	20.9
199.14813	5.0
201.12509	2.0
201.16364	5.4
202.15855	2.3
203.14297	4.3
207.11679	2.9
208.12476	2.0
209.13263	1.7
211.14815	6.5
212.15503	5.2
213.09064	4.1
213.12761	5.9
213.16348	19.3
215.14249	3.2
217.12210	13.0
219.13806	1.9
222.14017	3.2
224.82564	1.7
225.12677	4.9
227.14481	2.2
227.17941	42.8
229.16006	2.2
231.17407	1.9
237.16406	9.0
240.15048	3.4
241.08629	3.4
245.19000	4.9
251.02264	1.7
255.17407	51.8
264.18314	3.8
273.07581	9.6
273.12012	2.9
273.15387	3.2
273.18472	100.0
273.25635	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	273.1845
Annotation	Octadeca-8,10,12-triynoic acid
Peak:m/z	Relative Intensity
53.03930	3.5
53.41161	2.0
55.01852	2.8
55.05508	15.6
57.03427	2.7
57.07050	5.6
59.04998	3.2
65.03934	3.7
66.56565	1.8
67.05233	1.7
67.05496	17.5
69.03408	6.5
69.07061	18.3
69.66933	14.0
70.06579	2.9
72.08145	3.4
79.05480	16.0
79.17817	1.7
81.03413	2.2
81.07041	20.4
81.36290	1.8
83.04977	14.1
83.08604	7.7
85.02890	1.7
85.06522	11.2
91.05469	26.5
93.07044	21.3
95.04961	5.9
95.08596	25.7
97.06511	7.3
97.10136	3.3
98.09664	2.7
99.04410	2.9
102.01021	2.1
105.03371	2.9
105.07021	40.1
107.04928	3.1
107.08573	26.9
109.06479	8.5
109.10175	10.6
111.08057	6.6
115.05436	3.7
117.07022	13.5
117.46951	2.1
119.04906	3.6
119.08561	39.6
121.06486	6.8
121.10117	16.6
123.08057	4.1
123.11708	5.6
125.09576	2.8
127.42160	2.1
128.06192	5.0
129.07021	10.3
130.07767	2.8
131.08551	20.2
133.06432	6.7
133.10117	25.5
135.08051	6.4
135.11674	5.7
137.09573	7.9
141.07008	6.5
142.07780	10.0
143.08537	30.0
144.09328	7.1
145.06479	2.4
145.10129	26.3
147.04358	3.5
147.08034	8.3
147.11723	11.4
149.05951	3.3
149.09592	3.9
149.13203	2.9
151.07497	3.1
153.01817	9.4
153.06979	6.6
155.08528	8.5
156.09337	26.7
157.10123	38.0
158.10875	4.8
159.08031	3.3
159.11682	27.0
161.09605	8.7
161.10896	1.8
161.13231	19.4
161.86426	2.0
163.11156	4.1
169.10123	7.7
170.10864	10.8
171.08015	2.9
171.11673	63.8
172.12433	9.8
173.09601	4.1
173.13292	13.3
174.10350	2.2
175.07645	1.9
175.11215	5.9
177.12766	3.5
181.06471	7.0
181.10086	5.4
183.11694	6.9
184.12454	7.6
185.09578	2.6
185.13239	26.4
185.14787	3.2
187.11200	3.6
187.14772	3.2
189.12740	16.6
195.11674	5.6
197.13255	12.2
198.14053	4.0
199.11156	26.5
199.14740	5.7
201.12769	4.0
201.16368	7.3
203.14247	5.8
207.11659	3.1
211.14743	4.2
212.15463	3.6
213.09084	3.2
213.12781	6.6
213.16351	19.6
215.14273	5.1
217.12216	15.7
217.19524	3.6
222.14151	3.2
225.12814	2.9
227.14378	3.0
227.17905	45.7
231.13898	2.8
231.17525	4.0
237.16391	7.5
240.14977	3.9
241.08470	4.2
245.18973	5.1
255.17427	48.2
273.07538	5.0
273.12497	3.4
273.18481	100.0
273.22083	8.4
273.25830	7.0
274.18719	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	273.1846
Annotation	Octadeca-8,10,12-triynoic acid
Peak:m/z	Relative Intensity
53.03935	1.0
55.01860	3.1
55.05502	10.4
55.43723	0.5
57.03426	0.8
57.07060	0.7
59.04994	0.5
63.34933	0.5
65.03918	0.7
67.05499	11.7
69.03410	1.4
69.07056	6.6
70.75566	0.9
70.75957	0.9
71.04974	1.3
73.32486	0.4
76.11578	0.4
79.05489	11.7
81.03402	0.9
81.07043	10.4
83.04958	1.7
83.08617	2.6
85.06538	0.7
91.05472	24.4
93.07029	8.7
95.04960	2.7
95.08598	6.8
97.06502	1.2
97.10141	2.3
99.08075	0.6
103.05432	1.2
105.03378	0.6
105.07023	18.4
107.04944	3.8
107.08588	6.0
109.06490	1.7
109.10143	3.5
111.08057	0.8
115.05446	1.8
116.06241	2.6
117.07005	15.0
119.04909	1.4
119.08567	16.4
119.09418	1.1
121.06529	2.5
121.10151	3.2
123.08044	1.9
125.09573	1.0
128.06209	3.9
129.06996	9.6
130.07794	3.8
131.08554	39.0
132.05612	0.5
133.06483	4.4
133.10109	5.4
135.04343	0.6
135.08032	2.5
135.11671	1.2
137.09598	1.0
139.07498	0.5
141.06981	1.5
142.07764	2.3
143.08546	11.3
144.09319	1.1
145.06503	2.3
145.10110	25.0
146.07152	0.6
147.08029	13.2
147.11652	2.4
149.09621	2.3
153.09004	0.5
155.08543	2.2
157.06439	0.5
157.10107	8.4
159.08032	6.6
159.11690	6.7
161.09601	7.7
161.13333	0.6
163.11171	1.7
167.08549	0.8
169.10179	2.2
171.08044	1.2
171.11674	4.7
173.09608	2.6
173.11871	0.6
173.13243	1.4
175.11209	5.8
177.09096	1.2
181.10074	1.7
183.11728	0.8
185.09676	2.3
185.13225	1.9
187.11177	1.5
189.12712	1.4
191.10503	0.5
195.11671	2.0
196.23524	0.6
197.13289	0.6
199.11211	4.0
199.14941	0.5
200.11520	0.5
201.12585	0.7
203.10648	0.9
205.12146	0.8
209.13223	1.1
211.14696	0.9
213.12680	1.7
213.16371	1.3
217.12262	0.8
227.14398	0.7
227.17909	3.7
231.13678	0.7
237.16388	3.3
245.18951	3.6
255.17395	9.7
273.18463	100.0
274.18692	2.2
293.02457	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1845
Annotation	Octadeca-8,10,12-triynoic acid
Peak:m/z	Relative Intensity
53.03931	2.9
55.01855	4.0
55.05507	32.1
57.03419	2.6
57.07085	1.7
57.61724	1.1
59.04997	1.8
67.05188	1.4
67.05499	15.0
69.03408	2.0
69.07066	10.7
71.01862	3.5
71.04948	1.4
73.06552	1.4
79.05480	18.9
81.07046	23.5
83.04971	1.5
83.08608	10.0
87.04490	1.3
87.08045	1.3
91.05466	31.9
93.07038	17.0
95.04948	3.2
95.08598	12.0
97.06496	1.2
97.10146	6.3
98.20825	1.2
103.05456	2.3
105.07011	34.2
107.04981	2.1
107.08563	8.3
109.06506	2.5
109.10115	2.8
115.05444	5.5
116.06214	5.0
117.07001	35.9
119.08572	19.1
121.06499	2.5
121.10110	2.8
122.90453	1.1
123.08047	4.1
125.09589	2.5
128.06219	10.3
129.06993	17.4
130.07776	9.5
131.08551	72.6
133.06494	3.9
133.10135	7.9
135.08037	3.3
141.06949	2.7
142.07777	3.2
143.08551	60.3
144.09265	2.2
145.06496	2.2
145.10109	80.2
146.10774	1.4
147.08043	10.1
147.11632	4.4
148.49118	1.3
149.09607	2.5
155.08540	3.4
156.09389	1.5
157.10106	15.8
159.08060	4.8
159.11688	18.9
161.09615	7.3
163.11137	1.9
167.08537	1.6
169.10095	9.4
171.11685	11.4
172.41896	1.3
173.13252	4.1
175.11121	3.2
181.09979	2.6
183.11569	2.5
185.09605	2.5
185.13205	5.0
191.10674	1.4
195.11725	9.7
199.11108	2.6
211.15013	1.6
213.12755	2.3
227.17882	5.1
228.80098	1.3
231.13850	1.7
237.16318	16.9
245.18987	3.8
255.17465	19.9
273.18463	100.0
274.18738	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1845
Annotation	Octadeca-8,10,12-triynoic acid
Peak:m/z	Relative Intensity
53.03931	2.5
55.01848	3.3
55.05506	17.5
55.05766	1.8
57.03423	5.1
57.07078	0.9
59.04999	1.2
65.03933	1.8
67.05495	20.0
69.03416	1.5
69.07059	12.1
69.41420	0.8
70.55959	3.3
71.04976	2.1
72.08111	1.2
79.05484	22.2
80.20502	0.9
81.07048	25.8
81.36638	0.8
83.04969	3.2
83.08618	7.1
85.06523	1.5
91.05468	41.5
93.07037	16.5
93.84901	0.8
95.04951	5.7
95.08593	12.2
95.14919	0.8
97.06516	2.5
97.10130	2.5
99.08137	1.1
103.05455	3.5
104.35693	0.8
105.07021	36.2
107.04950	5.1
107.08587	10.8
109.06538	4.3
109.10109	5.4
111.08038	1.0
115.05448	6.0
116.06200	4.2
117.07002	33.8
119.04906	1.8
119.08572	24.5
120.08033	1.6
121.06480	5.7
121.10101	4.2
123.08061	2.6
125.09604	2.1
128.06195	5.5
129.06990	18.1
130.07770	5.9
131.08553	46.4
133.06473	7.7
133.10106	12.2
135.08040	8.8
135.11696	1.7
137.09608	3.3
141.07001	2.1
142.07765	4.0
143.08543	16.9
144.09312	3.4
145.06462	4.0
145.10109	47.4
147.08028	14.8
147.11671	4.8
148.07489	1.9
149.05948	1.4
149.09560	5.1
149.13269	1.4
151.11214	1.1
153.01822	1.4
154.07794	1.1
155.08507	2.8
157.10098	15.7
158.10884	1.8
159.08031	5.2
159.11676	15.1
161.09602	13.4
161.13234	1.9
163.07544	1.1
163.11116	2.3
167.08591	1.8
167.15340	0.9
169.10114	4.4
170.10957	1.0
171.11673	11.1
173.09630	6.0
173.13184	3.6
175.11153	6.6
181.10114	3.4
183.11650	2.4
185.09550	3.1
185.13232	3.7
187.11153	4.1
189.12729	2.7
195.11693	3.8
197.13268	1.6
199.11159	2.9
199.14766	2.0
201.12711	3.7
209.13470	1.1
211.14841	1.6
213.12715	2.2
213.16368	2.3
217.15797	5.1
227.17867	5.5
231.17438	2.2
237.16370	6.1
245.18980	7.6
254.64122	1.0
255.17427	12.4
273.18466	100.0
273.25815	2.3
274.18878	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0966
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78416	3.0
53.03933	6.9
55.01874	10.0
55.05509	18.8
57.03421	8.4
57.07072	3.2
59.20866	3.1
64.01840	3.9
65.03911	6.2
67.05488	12.1
68.99793	4.6
69.03429	17.3
69.07053	16.2
70.06580	15.1
71.04986	7.4
71.71998	3.7
72.08137	15.2
73.02912	44.4
79.05490	31.3
81.03417	10.2
81.07052	63.4
83.04981	51.6
84.04493	6.2
84.08144	23.3
85.02904	13.6
85.06496	4.3
86.09683	15.6
91.05482	32.2
93.07031	23.4
95.01322	8.9
95.04974	28.9
95.08582	6.0
97.02881	10.4
97.06509	15.9
99.04442	4.0
101.02355	5.3
103.05457	5.9
105.07030	10.8
107.04970	9.7
109.02871	5.1
109.06507	50.8
110.07150	6.8
111.03658	5.2
111.04434	100.0
111.08103	7.6
113.02348	5.9
113.05995	4.1
114.45044	3.2
119.04900	18.0
119.08530	5.2
121.02818	3.6
121.06501	24.3
123.04431	24.9
123.08060	6.5
125.02354	5.9
125.05978	6.6
127.03960	3.9
127.07538	7.0
129.10213	7.4
131.04944	4.0
133.06487	6.2
135.04417	6.2
135.08090	4.7
137.05956	64.6
139.03859	15.7
139.07553	8.1
141.01735	3.6
141.05513	5.0
145.06480	4.1
145.10114	4.9
147.04399	19.9
149.05968	16.9
151.03957	4.4
151.07527	6.6
151.11194	6.9
153.01750	5.9
153.07004	16.8
155.07007	37.8
155.08257	5.6
157.04993	20.0
163.03923	5.1
163.07526	5.5
165.05444	27.8
167.07057	8.2
177.05476	3.3
179.06987	4.2
181.06432	12.6
183.04977	7.1
183.06497	58.5
193.08586	5.7
199.07491	7.7
201.05846	6.1
201.07573	68.0
203.06955	4.2
207.06514	6.0
209.06042	4.5
209.08022	8.3
211.09685	3.7
213.09068	7.5
227.08200	8.0
228.10179	9.4
241.08565	8.4
242.10355	4.7
245.12877	5.0
255.08760	4.4
255.11320	9.7
273.04102	3.9
273.07312	9.8
273.12210	15.7
273.18726	5.0
273.22867	3.6
285.74612	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	273.0966
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78416	3.0
53.03933	6.9
55.01874	10.0
55.05509	18.8
57.03421	8.4
57.07072	3.2
59.20866	3.1
64.01840	3.9
65.03911	6.2
67.05488	12.1
68.99793	4.6
69.03429	17.3
69.07053	16.2
70.06580	15.1
71.04986	7.4
71.71998	3.7
72.08137	15.2
73.02912	44.4
79.05490	31.3
81.03417	10.2
81.07052	63.4
83.04981	51.6
84.04493	6.2
84.08144	23.3
85.02904	13.6
85.06496	4.3
86.09683	15.6
91.05482	32.2
93.07031	23.4
95.01322	8.9
95.04974	28.9
95.08582	6.0
97.02881	10.4
97.06509	15.9
99.04442	4.0
101.02355	5.3
103.05457	5.9
105.07030	10.8
107.04970	9.7
109.02871	5.1
109.06507	50.8
110.07150	6.8
111.03658	5.2
111.04434	100.0
111.08103	7.6
113.02348	5.9
113.05995	4.1
114.45044	3.2
119.04900	18.0
119.08530	5.2
121.02818	3.6
121.06501	24.3
123.04431	24.9
123.08060	6.5
125.02354	5.9
125.05978	6.6
127.03960	3.9
127.07538	7.0
129.10213	7.4
131.04944	4.0
133.06487	6.2
135.04417	6.2
135.08090	4.7
137.05956	64.6
139.03859	15.7
139.07553	8.1
141.01735	3.6
141.05513	5.0
145.06480	4.1
145.10114	4.9
147.04399	19.9
149.05968	16.9
151.03957	4.4
151.07527	6.6
151.11194	6.9
153.01750	5.9
153.07004	16.8
155.07007	37.8
155.08257	5.6
157.04993	20.0
163.03923	5.1
163.07526	5.5
165.05444	27.8
167.07057	8.2
177.05476	3.3
179.06987	4.2
181.06432	12.6
183.04977	7.1
183.06497	58.5
193.08586	5.7
199.07491	7.7
201.05846	6.1
201.07573	68.0
203.06955	4.2
207.06514	6.0
209.06042	4.5
209.08022	8.3
211.09685	3.7
213.09068	7.5
227.08200	8.0
228.10179	9.4
241.08565	8.4
242.10355	4.7
245.12877	5.0
255.08760	4.4
255.11320	9.7
273.04102	3.9
273.07312	9.8
273.12210	15.7
273.18726	5.0
273.22867	3.6
285.74612	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	273.06
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	8.6
55.01857	8.7
55.05488	5.3
57.03426	15.6
57.82452	2.1
58.34765	2.2
61.02908	2.6
65.03925	4.2
67.05496	30.6
68.99787	10.8
69.03423	34.5
70.06580	6.2
71.01350	11.9
73.02890	6.4
74.20887	2.6
81.03404	57.3
83.01330	3.7
83.04963	33.3
85.02895	100.0
87.00813	40.4
91.05463	2.8
95.04954	27.9
97.02874	14.5
97.76572	2.2
99.04444	13.6
101.02368	11.7
103.03931	9.7
105.01841	4.8
109.02861	18.6
111.04427	12.8
113.02335	3.0
120.08056	3.6
121.01376	2.3
121.06485	3.3
123.04407	31.1
124.55400	1.9
125.02328	7.5
127.03892	37.5
127.05830	2.2
129.05444	2.9
139.03871	5.6
141.05426	5.8
145.02449	2.3
149.05923	4.3
151.03864	10.1
153.06940	8.0
169.04951	34.1
171.02885	16.1
181.06435	6.4
187.06023	30.0
189.03928	19.6
197.67096	2.5
213.09094	5.1
229.60535	2.6
241.08598	4.0
245.06453	2.9
255.04936	5.6
273.05966	5.3
278.12033	2.5
293.67953	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0901
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07412	0.5
55.01855	1.4
56.05009	0.6
56.96550	0.6
57.03421	0.5
57.07842	0.4
60.04507	0.6
68.05016	4.8
69.03396	0.8
69.07047	0.4
70.06583	6.0
71.04983	1.2
71.06914	0.5
71.21358	1.1
72.08152	0.8
74.00651	6.2
79.05476	0.8
81.03413	2.2
81.07049	0.8
83.04973	0.5
84.04502	2.5
84.08128	4.1
85.02888	0.9
86.09691	2.6
87.79407	0.4
88.03998	0.5
90.05545	5.4
91.05435	0.5
96.04480	36.4
98.03502	0.6
102.06737	0.4
109.02846	1.0
109.10059	0.5
113.00571	1.0
114.03748	0.8
116.07101	0.8
116.98644	0.5
117.70294	0.4
119.01859	0.5
120.02056	0.4
123.90649	0.5
127.03823	0.6
129.10207	1.9
136.07590	0.4
139.02083	1.8
153.01756	0.8
156.04758	100.0
157.05069	0.7
158.05644	0.7
171.02980	0.5
181.06508	0.9
198.85326	0.5
241.06386	0.4
273.09207	6.8
273.11835	0.7
273.14481	0.7
273.18329	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0601
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	7.5
55.01862	6.6
55.05498	10.0
57.03430	11.1
61.02902	2.4
65.03935	8.6
67.05500	32.3
68.99789	11.0
69.03425	34.4
70.06598	3.4
71.01347	13.8
71.04980	3.9
71.74851	1.8
73.02906	5.4
81.03413	59.5
82.03721	1.6
83.04978	32.4
84.08124	4.2
85.02896	100.0
86.09683	3.0
87.00825	35.7
91.05464	15.3
95.04958	26.6
97.02886	14.6
99.04447	12.5
101.02364	12.0
103.03937	10.9
105.01841	4.2
109.02871	16.7
111.00817	3.8
111.04433	13.2
113.02322	2.2
115.05412	2.6
120.08131	1.6
121.06504	2.6
123.04417	29.0
125.02325	7.6
127.03899	39.6
128.06165	1.9
129.05530	2.3
131.08566	1.8
133.10007	1.9
139.03893	3.8
141.05455	9.1
145.10112	2.1
149.05981	3.7
151.03879	11.2
151.07515	2.9
153.01875	1.8
153.06969	8.1
157.06570	1.8
159.06549	2.7
169.04959	45.3
169.06401	2.2
171.02885	14.0
181.06425	11.0
187.05981	31.2
187.07553	2.6
189.03923	24.0
189.21338	1.6
195.37704	1.5
198.06882	1.6
199.07571	1.9
209.06010	1.9
213.09096	6.0
227.07057	2.1
241.08571	6.1
245.06468	1.9
255.04984	7.2
273.06009	4.8
273.11130	4.9
273.18402	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	272.1604
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.6
54.03502	0.4
55.01869	1.0
55.05497	3.7
55.05679	0.4
56.05021	1.7
56.20027	0.4
56.96563	11.7
57.03435	2.1
60.04505	0.9
60.05639	0.8
61.02924	0.8
67.05495	0.4
68.05013	1.2
69.03436	2.9
69.07071	1.0
69.34312	0.4
70.06590	11.1
70.29260	1.5
70.29679	1.0
71.04960	0.8
71.06921	0.4
72.08151	4.6
72.93761	0.6
73.02908	1.5
73.06553	1.2
74.06077	0.9
79.05485	3.1
81.03418	2.2
81.04532	3.1
81.07051	9.4
82.03712	0.5
82.05318	2.0
83.06101	10.9
84.04500	2.4
84.08132	5.7
84.96021	1.4
85.02882	4.3
86.09696	3.0
87.04465	1.0
91.05473	0.5
92.04985	2.3
93.04517	6.7
94.06544	0.5
95.04956	0.9
95.06083	15.7
95.15011	0.4
97.02886	2.9
97.07667	0.6
98.06073	0.8
98.09703	0.5
98.20761	0.5
98.97571	13.0
99.04453	0.6
107.04929	0.8
109.02888	2.5
110.03232	0.9
110.06088	4.4
110.07156	100.0
110.97583	0.7
111.05570	2.2
111.07472	0.9
112.07524	0.9
112.08732	4.6
116.07098	2.2
116.98621	9.8
119.01871	1.4
119.04865	0.6
120.06565	0.5
123.04420	1.4
123.06766	0.6
124.08714	1.3
124.99128	0.8
125.07114	0.9
126.05573	0.4
126.06636	1.5
126.12840	0.5
127.03911	1.1
128.98613	1.9
129.10217	1.3
130.04951	0.9
131.00108	0.6
131.01924	0.5
132.95798	0.5
134.06030	0.6
134.99634	5.5
136.07626	0.5
138.06564	0.6
140.00224	0.6
140.02321	0.6
143.00127	1.6
145.01628	0.6
145.03366	0.5
146.04099	0.6
146.99586	1.3
147.04372	0.8
150.96786	0.5
152.07059	1.8
153.00674	0.6
153.04143	0.8
154.04414	0.7
155.04654	6.5
155.54758	0.6
156.03563	0.7
156.07678	12.2
156.98065	0.5
157.13359	0.6
158.01152	0.6
158.99638	3.2
161.01225	3.6
161.02448	0.6
162.99127	0.7
163.12306	10.1
164.05133	1.9
165.05479	0.6
166.55504	1.0
171.04959	0.5
174.04509	0.7
174.99211	2.5
175.11903	1.0
177.00708	4.5
179.02341	0.6
181.13383	0.6
182.03252	0.5
185.01338	0.6
187.07111	0.6
190.13319	3.3
191.03915	0.7
191.05545	0.5
191.07436	0.7
193.00253	1.1
193.03784	0.6
193.13312	1.2
198.13589	1.3
200.04517	0.5
201.00618	0.6
201.12392	0.8
205.00166	0.7
208.14455	13.9
209.12871	0.6
210.16011	1.2
211.04652	0.6
211.14442	1.3
212.07933	1.3
218.06146	0.5
219.01709	1.2
220.99670	0.7
221.04874	0.5
226.15491	21.3
227.06763	3.9
227.13919	1.5
227.57060	0.6
228.17043	1.4
230.98138	0.6
232.96556	0.5
237.00630	0.8
237.02768	1.2
248.99075	3.5
254.10614	0.6
254.14978	15.3
267.00226	5.0
272.00705	0.7
272.16028	74.0
272.19522	4.6
273.09482	7.9
273.16235	0.9
285.01389	0.9
290.94586	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	272.1126
Annotation	Deidaclin
Peak:m/z	Relative Intensity
51.01216	1.7
52.90842	1.6
55.01854	1.8
55.05505	4.5
56.05012	6.8
56.96551	6.8
57.03419	5.3
58.69929	1.7
60.04485	1.9
61.02913	4.0
68.05022	3.7
69.03421	10.0
70.06581	26.1
71.71194	3.4
71.71604	2.4
72.08160	14.2
73.02873	2.4
74.06071	15.5
79.05468	5.2
81.03399	11.3
81.07028	4.5
82.03755	3.4
83.06086	5.6
84.04500	13.9
84.08121	8.4
85.02897	32.9
86.03268	2.0
86.09672	10.0
91.03989	2.4
91.05499	2.1
92.04997	9.3
93.04505	3.0
93.07111	2.3
95.01346	3.2
95.04946	2.7
95.06081	11.6
96.04495	10.5
96.08139	2.0
97.02910	9.7
97.07646	2.0
98.97575	10.6
99.04453	2.0
103.03870	3.7
104.07141	1.9
106.06552	11.5
108.08085	2.0
109.02875	14.7
109.05257	7.4
110.03186	9.3
110.06019	100.0
110.07148	36.1
111.05484	2.0
112.08750	2.1
116.07121	3.6
116.98618	10.7
120.04453	3.9
122.06015	12.9
125.10714	4.4
125.57613	2.9
127.03917	5.7
127.08603	1.9
129.10175	3.1
130.04980	7.8
134.06003	32.2
134.09662	2.2
134.99663	5.0
136.07503	2.0
143.11765	4.5
145.04993	3.0
146.05971	5.6
152.07036	11.1
156.04781	22.4
156.07651	5.1
163.12289	2.6
164.07088	2.3
167.07059	2.9
168.13773	2.5
169.04889	2.1
171.11247	5.2
175.11900	2.8
176.07047	5.3
176.25763	1.8
177.00629	3.2
200.56216	2.0
201.12247	2.0
208.14418	4.4
208.87868	1.8
212.06415	3.9
212.09198	1.8
226.15504	12.0
236.09135	6.4
237.00598	1.8
237.02814	3.2
254.10132	6.2
254.15013	4.4
255.13414	5.2
267.00162	3.2
272.06204	3.4
272.08765	2.5
272.11349	3.8
272.15991	41.0
272.18579	2.2
287.69403	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	272.1128
Annotation	Deidaclin
Peak:m/z	Relative Intensity
53.15839	0.3
55.51812	0.3
56.96559	11.3
57.03431	1.2
57.06770	0.3
61.02908	1.1
65.03932	6.2
65.10580	0.3
65.52720	0.3
67.05484	0.3
69.03425	2.9
70.06580	3.9
71.04969	0.7
71.10291	0.9
72.08147	0.8
73.02909	1.4
74.97588	0.7
80.05024	1.6
81.03423	0.8
82.03720	0.3
83.04943	0.4
84.04488	1.1
84.08141	1.0
84.96021	4.3
85.02895	8.6
87.04449	0.6
88.04005	0.4
92.04995	68.2
93.05261	0.4
93.05782	6.3
94.06558	11.3
97.02874	1.7
98.03535	0.9
98.06086	0.6
98.97575	1.8
99.04440	0.4
100.99167	0.5
102.97069	0.8
103.03941	0.5
108.04472	0.6
109.02861	0.8
110.06028	100.0
111.06380	0.9
112.46881	0.3
115.00716	1.2
115.03909	0.7
116.07076	0.7
116.98608	1.8
119.00164	0.4
120.97977	0.4
124.99090	2.3
127.03903	1.3
129.10257	0.6
130.04977	0.6
133.01711	0.8
134.05984	0.6
134.99640	1.3
143.00150	7.8
144.98051	1.2
145.04936	0.8
152.04613	0.3
152.07062	3.5
158.05650	0.6
158.99687	1.1
161.01202	11.3
162.99126	1.7
174.11256	1.8
175.11946	0.6
176.07039	0.7
177.00726	2.1
179.02232	1.6
182.08139	0.3
185.03850	0.7
186.99118	1.1
195.01704	0.3
205.00214	2.9
212.06645	0.4
212.09087	0.6
223.01256	3.8
236.09250	0.6
248.99194	0.9
254.10265	3.1
267.00262	1.0
272.08875	1.1
272.11255	26.9
272.17184	1.5
273.11539	0.8
285.01367	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.2054
Annotation	Clathrin B
Peak:m/z	Relative Intensity
51.40651	1.0
55.05505	7.8
56.08968	1.2
57.07062	1.4
59.04985	1.3
67.05506	10.9
69.03400	1.7
69.07052	7.5
71.04963	1.5
71.15005	1.4
71.15342	2.6
77.03957	1.4
79.05482	8.9
80.58587	1.2
81.07050	22.7
83.08607	1.6
85.06503	2.4
91.05472	36.9
93.07026	22.7
94.39680	1.1
95.04945	1.9
95.08594	21.7
97.06538	1.6
97.10147	4.4
98.21294	1.4
99.08070	1.3
103.05433	1.9
105.03428	1.4
105.07026	35.2
107.08577	13.2
109.06532	1.9
109.10149	35.5
110.60993	1.4
117.07011	10.5
119.04903	3.6
119.08572	71.1
121.06486	2.1
121.10167	10.8
123.11699	4.5
128.06229	2.5
129.06990	8.6
130.07773	2.0
131.08557	11.6
133.06493	2.1
133.10100	12.9
135.08078	1.7
135.11664	4.8
137.05943	2.7
141.06979	3.5
142.07761	3.0
143.08540	18.0
144.09315	1.7
145.06474	1.5
145.10109	19.9
147.08049	18.0
147.11673	16.4
149.09592	5.2
149.13226	5.2
153.01787	1.5
154.07719	3.0
155.08534	22.1
156.09300	1.7
157.10118	11.6
159.11703	13.2
161.09581	5.6
161.13255	7.1
163.11165	2.2
167.03412	1.5
167.08594	2.1
168.09456	1.7
169.10107	33.1
171.11676	14.8
173.13242	10.6
175.11171	6.1
175.14787	2.3
177.12704	2.5
181.10088	3.2
182.10887	2.8
183.11670	13.9
185.13258	8.1
187.14781	3.8
189.12759	4.2
191.14316	1.9
196.12402	1.9
197.13234	19.8
199.14822	4.8
201.12720	2.8
201.16464	1.9
211.14803	10.3
213.16359	4.4
213.34267	1.3
215.14346	2.7
225.16335	11.8
227.17947	5.6
229.15891	5.3
229.19539	1.7
241.19563	11.1
243.17426	7.6
243.21083	5.4
253.16803	2.6
253.19489	59.2
271.05945	14.6
271.20541	100.0
271.31946	1.8
272.20862	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	271.1901
Annotation	(+)-Yingzhosu A
Peak:m/z	Relative Intensity
53.03931	4.2
54.32598	0.9
55.01855	3.4
55.05504	35.8
57.03160	1.6
57.03428	27.3
57.07053	2.0
65.03919	1.8
67.05495	58.5
69.03421	1.0
69.06690	1.8
69.07057	33.5
70.31153	5.0
71.04984	13.7
72.08155	1.3
73.06542	1.0
79.05486	28.6
79.72747	1.0
81.07045	88.3
83.04961	5.1
83.08611	22.0
85.06532	11.0
87.04421	1.2
91.05465	25.8
93.07028	27.6
95.04942	3.8
95.08593	100.0
96.08926	1.1
97.05936	1.7
97.06520	16.2
97.10161	7.3
99.08079	4.9
101.05995	1.3
105.06336	1.6
105.07018	20.7
107.08565	11.6
109.06498	2.9
109.10149	16.2
111.08053	4.6
113.09624	1.6
115.07514	1.4
117.06990	1.9
119.08556	24.2
121.10129	6.5
123.08012	5.6
123.11629	1.5
125.09614	1.6
131.08601	1.3
133.10109	16.0
135.11653	8.8
135.53873	1.1
137.06026	1.0
137.09587	4.0
137.13202	6.6
145.10144	1.6
149.13239	2.7
153.06943	2.4
155.08479	1.6
159.08116	1.3
160.26155	1.1
161.13239	34.3
165.06993	6.1
173.09654	0.9
179.14288	16.6
181.06413	1.7
183.08051	3.2
197.15347	1.5
211.07520	3.3
223.62801	1.0
232.22531	1.0
253.17955	3.1
268.77048	1.0
271.06003	4.0
271.10101	4.9
271.19022	50.5
271.23730	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1901
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.8
55.01854	2.8
55.05235	1.9
55.05504	38.1
57.03155	1.8
57.03430	27.3
57.07056	3.4
59.42884	1.1
59.61290	1.1
65.03928	3.2
65.51026	1.1
67.05498	54.4
69.03405	3.0
69.07059	32.4
69.70613	8.6
71.04986	12.4
72.08151	1.1
79.05486	24.0
81.07047	92.7
83.04969	4.2
83.08606	22.9
85.02892	1.7
85.06528	8.6
91.05470	25.8
93.06499	2.2
93.07034	23.0
95.04958	4.0
95.08596	100.0
97.06523	14.3
97.10156	6.4
98.21426	1.8
99.08073	3.8
101.06004	1.8
105.07011	19.5
107.08559	7.9
109.06503	5.0
109.10131	16.4
109.69244	1.2
111.08075	4.2
113.06019	1.3
115.05486	1.6
117.06976	2.4
119.04986	2.8
119.08568	22.2
121.06497	1.9
121.10088	6.2
123.08076	6.0
125.09595	1.3
128.06227	1.5
129.07040	2.5
131.08548	3.8
133.10112	17.0
135.08072	2.2
135.11642	9.5
137.09616	3.7
137.13200	5.6
141.07007	1.9
143.08551	3.0
145.06491	2.0
145.10109	2.4
149.13252	2.2
152.06091	1.4
153.01810	3.8
153.06984	3.2
155.08563	4.3
157.06461	1.8
157.10062	2.2
159.08025	9.1
161.13239	27.2
165.06999	10.1
168.05710	1.6
169.06555	1.5
173.09642	4.0
179.14325	10.8
181.06607	1.7
183.08057	5.9
183.11708	1.8
185.13202	1.4
187.14760	1.6
193.06494	1.4
197.15160	1.3
211.07574	4.7
211.14709	1.3
226.12357	1.4
229.15889	1.2
239.07002	1.3
248.52989	1.2
253.15762	1.9
253.18033	2.3
271.06052	34.1
271.09680	12.5
271.16888	4.9
271.19101	47.9
271.24142	3.4
272.06320	2.0
290.43521	1.2
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
53.03934	2.6
53.51865	1.0
55.01860	6.0
55.05236	1.8
55.05505	36.3
56.96536	1.4
57.03429	25.6
57.07055	2.9
65.03923	1.9
67.05496	67.2
67.32862	1.0
69.03414	2.7
69.07063	34.6
70.99753	1.5
71.00103	3.5
71.04981	12.6
79.05477	26.7
81.03409	1.1
81.07047	89.2
83.04964	6.5
83.08608	22.4
85.06068	2.0
85.06532	11.9
87.04482	1.4
87.55280	1.2
89.48197	1.2
91.04926	1.9
91.05471	27.3
93.07034	25.3
95.04953	5.5
95.08596	100.0
97.06517	14.3
97.10128	5.8
97.16476	1.2
99.08073	4.9
101.05952	1.5
105.07013	21.5
107.04921	1.4
107.08575	12.4
109.06502	4.5
109.10130	16.2
111.08061	4.1
119.04937	4.4
119.08559	26.9
121.10136	5.9
123.00764	1.8
123.08061	4.7
123.11690	2.1
127.07551	1.5
129.06953	1.6
131.08501	1.2
133.06534	1.2
133.10117	17.4
135.08051	1.2
135.11676	10.8
137.05969	1.5
137.09586	2.7
137.13232	8.5
141.06969	1.9
145.10138	2.6
147.11670	1.7
151.11194	2.5
152.06204	1.5
153.06979	7.3
155.08524	5.2
157.10117	1.9
159.08134	2.1
159.11679	3.5
161.13242	29.0
165.06984	19.0
168.05717	3.3
169.06535	1.9
169.10114	1.5
171.11642	2.4
173.09601	1.5
178.13463	1.3
179.14285	13.7
181.06490	4.8
183.08069	11.5
185.05910	1.6
193.06401	3.1
196.05101	1.8
197.06047	1.9
197.15408	1.7
211.07520	11.5
212.08118	1.3
213.05354	1.3
221.05957	2.5
239.07024	1.5
253.18105	2.9
271.06027	18.7
271.09656	19.6
271.19046	49.5
271.24115	3.1
272.06299	2.0
289.13205	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	271.1901
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	4.5
54.25569	1.1
55.01855	5.5
55.05503	42.0
57.03164	2.1
57.03429	28.6
57.07054	3.3
62.06077	1.5
65.03910	3.8
67.05494	61.8
69.03409	2.3
69.07061	36.5
70.20038	6.7
71.04985	13.8
71.08594	1.4
78.73827	1.2
79.05484	30.3
81.03403	1.6
81.07043	97.2
82.07366	1.6
83.04971	5.6
83.08604	24.5
85.06528	11.8
91.05463	32.2
93.07030	26.5
95.04958	4.7
95.08591	100.0
96.08944	1.2
97.06521	16.2
97.10174	4.7
98.77880	1.3
98.97578	2.5
99.08083	6.1
103.05485	1.5
105.07008	25.5
107.04942	2.3
107.08572	13.1
109.02834	1.5
109.06492	3.9
109.10135	13.8
111.08051	5.1
111.13657	1.3
113.09585	2.0
115.05429	2.0
117.06999	3.5
119.04942	2.4
119.08564	27.1
121.06466	2.5
121.10117	9.0
123.08059	5.6
123.11716	2.6
127.07547	1.8
128.06183	1.8
129.06903	1.3
131.04935	2.1
131.08549	4.2
133.10120	18.6
133.29120	1.1
135.08035	1.2
135.11681	8.0
137.05957	1.7
137.09648	3.1
137.13246	5.8
141.06985	3.6
143.08575	2.4
145.06462	1.8
145.10124	2.6
147.08005	2.0
147.11665	2.4
149.05998	1.8
149.13217	1.7
152.06165	2.6
153.01874	1.4
153.06989	9.6
154.07742	1.3
155.08495	6.1
157.06390	1.9
157.10173	2.3
159.08047	5.9
159.11671	2.7
161.13242	30.9
161.14554	2.4
165.06984	22.4
168.05717	5.1
169.06448	3.8
169.10123	2.2
171.11664	2.3
173.09625	4.8
173.13301	3.1
179.05034	1.2
179.14284	9.7
181.06456	5.7
182.07187	2.9
183.08044	13.1
185.05928	2.9
193.06432	2.7
196.05211	2.3
197.05931	1.7
199.07668	1.4
210.06618	1.4
211.07512	15.5
212.08250	2.1
213.12816	1.3
221.05994	2.9
225.05641	1.5
228.07860	2.0
234.87926	1.4
239.07047	2.0
242.09319	2.4
243.10175	2.5
243.13829	1.4
253.12494	1.7
253.15720	2.2
253.18071	2.2
254.17560	3.4
271.06097	10.5
271.09656	28.2
271.13165	4.4
271.16959	3.8
271.19061	55.8
271.24188	5.3
272.10126	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1689
Annotation	Oropheic acid
Peak:m/z	Relative Intensity
53.03928	1.6
55.01875	11.9
55.05505	38.4
57.03429	9.1
57.07059	3.2
59.25595	1.7
63.19437	1.7
65.03909	2.1
67.05496	35.2
69.03416	1.8
69.07072	15.8
71.04976	2.6
71.75358	3.0
79.05488	42.5
81.03407	2.5
81.07044	36.4
83.04969	3.4
83.08604	10.5
85.06527	2.0
88.07628	2.0
91.05471	30.7
93.07037	20.4
95.04976	3.7
95.08607	17.7
97.06522	2.8
97.10145	11.8
103.05482	1.9
105.07021	17.8
107.08583	23.5
109.06496	6.1
109.10132	14.8
111.08066	2.8
115.05453	31.9
117.07006	100.0
119.08582	19.9
121.10144	3.1
123.08110	2.1
125.09592	8.3
128.06226	12.8
129.06976	14.4
130.07770	2.8
131.08543	17.8
133.10097	10.1
135.08049	11.6
135.11673	2.7
137.09598	1.7
141.06956	8.6
142.07770	7.7
143.08540	33.1
144.47339	1.7
145.06474	85.8
145.10092	14.0
147.08066	4.2
149.09631	2.9
151.11168	3.7
153.06976	2.5
153.09094	2.9
154.07715	2.7
155.08527	10.4
157.06462	2.6
157.10107	21.2
159.08037	10.7
159.11694	4.3
161.09666	2.6
161.13179	2.3
165.07010	2.2
167.03322	2.0
167.08551	3.7
169.10120	15.6
171.11624	8.4
173.09607	4.4
179.08519	2.0
183.11691	9.9
185.09590	2.3
185.13194	3.4
189.09293	2.0
193.10129	2.1
195.11670	3.8
197.13300	5.2
205.12300	1.9
207.11623	1.9
209.13341	3.4
211.14856	6.4
213.12691	4.6
215.14313	5.9
225.16405	16.4
229.15982	2.3
235.14856	5.7
243.17447	9.4
253.15799	13.7
258.26297	1.7
271.06012	17.9
271.08795	2.6
271.16934	85.1
271.20044	2.8
279.79422	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.169
Annotation	9,9'-Diapo-10,9'-retro-carotene-9,9'-dione
Peak:m/z	Relative Intensity
52.59766	3.8
55.01865	4.6
55.05498	13.0
57.03428	12.3
57.07059	5.1
65.03888	5.5
67.05498	30.3
69.03435	5.2
69.07047	12.7
70.06564	5.9
70.75385	13.0
71.04980	25.2
79.05496	27.8
81.07051	44.7
83.08600	6.5
84.08088	4.9
85.06550	8.5
91.05486	34.5
93.07022	41.2
95.04958	12.4
95.08598	27.1
105.07019	57.4
107.08582	44.5
109.06513	58.8
109.10178	21.9
111.08110	7.2
115.05459	5.6
117.06997	12.6
118.07452	3.8
119.08552	19.5
120.65365	3.8
121.10145	8.3
123.08064	13.2
126.47240	4.1
128.06206	6.9
129.06976	16.5
131.08586	26.2
133.10129	32.9
135.08051	43.6
137.09602	15.7
141.06969	7.6
142.07764	7.6
142.33632	4.3
143.08572	35.5
145.06474	4.9
145.10106	29.9
147.08043	11.9
147.11667	8.5
149.09612	16.5
151.11168	15.6
153.01740	6.9
153.07002	6.9
154.07764	4.5
155.08534	22.3
156.09366	20.4
157.10126	19.2
159.08041	42.6
159.11726	11.6
161.09621	5.4
165.06941	21.8
167.03435	9.3
167.08533	9.6
168.09351	6.6
169.10121	33.0
170.10835	9.0
171.11685	58.1
173.09622	14.8
179.08582	5.9
180.09323	20.9
181.10152	10.3
183.11694	16.7
185.13239	10.8
187.11186	13.7
195.11681	77.5
196.12418	12.0
197.09561	6.4
198.10403	7.5
201.12762	9.1
209.13293	5.7
211.14787	39.7
213.12735	100.0
229.15799	23.6
235.14812	9.3
253.15964	34.3
271.05994	42.1
271.09305	8.1
271.17038	72.4
271.20068	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	271.1439
Annotation	(+)-Quinolactacin A2
Peak:m/z	Relative Intensity
53.64911	0.5
55.01876	0.7
55.05511	2.4
56.59830	0.5
58.06601	0.6
67.05504	2.2
68.99825	0.5
69.07077	1.2
69.64003	1.5
69.64429	2.6
79.05501	1.9
81.07047	3.6
83.04982	1.0
83.08608	0.9
84.08187	0.6
91.05478	2.9
93.07050	1.6
94.06550	0.6
95.08610	1.6
96.08110	0.7
97.06551	0.5
100.07639	0.6
103.05442	1.0
105.07048	1.5
105.25455	0.5
106.06591	0.8
107.04942	0.5
107.08597	1.6
109.10170	0.9
112.07619	0.6
115.05472	0.8
117.07014	2.9
118.06551	1.0
119.07335	0.8
119.08571	3.7
120.08122	0.6
121.10166	1.4
124.07589	1.1
129.07016	1.8
131.04938	1.0
131.08551	1.2
132.08067	0.6
133.06445	0.6
133.10133	1.3
135.08035	2.0
141.06949	0.9
142.07762	0.9
143.08553	1.2
144.05766	1.1
144.08083	1.3
145.06500	0.9
145.10127	1.1
147.06807	0.7
148.07579	0.7
153.01910	0.6
153.06891	0.5
154.06508	1.2
155.08560	1.3
156.09378	0.6
157.10135	2.8
158.05995	0.7
159.08034	18.0
159.09177	1.8
159.11656	0.7
161.09610	0.6
166.07906	0.6
167.03412	1.8
168.08064	7.5
169.08839	3.3
169.10103	0.9
170.09621	0.9
171.09225	0.8
172.07413	0.6
173.09650	1.6
181.10112	0.9
182.09628	2.5
183.07953	0.6
183.10431	10.6
183.11932	0.9
184.09924	1.3
185.09531	0.8
197.08356	0.9
198.09251	0.7
198.12819	7.1
199.08629	3.1
199.12517	0.6
210.09273	0.6
211.09993	1.1
212.09431	3.1
213.10196	5.6
214.10976	0.8
215.15416	2.2
225.16368	0.7
226.12340	7.7
227.08128	2.3
227.11760	27.6
228.12544	20.5
228.14816	1.1
238.80891	0.5
240.08907	2.5
241.09674	3.2
241.13356	1.2
243.06537	0.7
243.14946	14.8
243.17409	0.8
253.13284	1.1
253.15874	1.7
254.11739	0.8
254.24695	0.7
255.11267	58.7
256.12045	70.4
257.12402	1.9
269.12756	2.9
271.06262	5.1
271.09619	3.0
271.14383	100.0
271.16666	4.1
272.14725	3.4
272.25864	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0962
Annotation	Amoenumin
Peak:m/z	Relative Intensity
50.64863	1.0
55.01872	5.8
55.05478	1.0
55.53226	0.9
56.96531	0.9
70.88916	2.9
84.94780	0.9
89.03902	2.3
91.05474	14.2
95.04939	3.3
103.05461	1.6
105.03358	1.1
105.07041	1.2
107.04936	4.2
107.08459	1.0
109.02878	1.2
111.04414	1.0
115.05440	3.6
118.04143	2.2
119.04923	11.6
121.06497	4.5
123.04432	1.8
124.05199	1.2
128.06183	1.8
129.06987	3.4
134.03664	2.0
135.04358	1.7
137.05948	8.4
139.05377	1.2
140.06200	1.7
141.06964	9.3
145.06465	1.6
147.04413	1.6
147.98042	0.9
149.05986	3.1
150.06790	1.5
151.03899	1.0
152.06175	11.0
153.06972	39.3
154.07780	5.4
155.05954	1.3
155.08534	21.9
157.06477	6.1
161.52446	0.9
165.06984	96.5
166.07550	2.0
167.08600	1.6
168.05693	15.9
169.06465	10.2
170.07188	2.7
171.04364	1.0
171.08067	1.3
177.81178	0.9
179.04854	1.0
179.08583	1.1
180.05650	1.5
181.06471	24.3
182.07228	8.6
183.08043	50.4
185.05911	7.2
193.06343	16.9
194.07254	1.7
195.08061	1.9
196.05156	9.6
197.05966	7.1
197.09598	1.5
198.06703	2.9
199.07549	3.5
200.08247	5.3
202.88644	0.9
207.04315	5.8
209.05960	3.2
210.06735	5.6
211.07520	50.1
212.08269	6.2
213.05437	2.8
213.09065	2.9
218.72629	1.0
221.05920	16.1
222.06439	1.2
224.08295	1.1
225.09033	4.0
227.06955	2.4
228.07770	5.5
237.05426	1.0
239.06995	11.5
240.07716	1.9
242.09335	6.6
243.10135	6.9
253.08705	1.5
256.07230	2.5
271.06302	3.7
271.09622	100.0
272.10132	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	271.096
Annotation	Amoenumin
Peak:m/z	Relative Intensity
53.03911	1.2
55.01868	5.8
65.03918	2.2
67.05479	1.5
69.07048	1.0
69.74912	7.8
70.06564	1.1
72.18420	1.0
79.05460	1.3
81.03407	1.3
81.07035	1.7
81.55322	1.1
84.27686	1.2
89.03914	2.0
90.67472	1.0
91.05461	14.2
95.04943	3.5
95.08538	1.3
98.20672	1.4
105.07004	1.7
107.04919	4.7
109.06475	1.1
111.61849	1.2
115.05444	3.3
118.04125	2.3
119.04903	11.9
121.06474	3.5
122.03593	1.3
123.04386	2.3
128.06094	1.4
129.06961	2.4
134.03592	1.9
135.04449	2.4
137.05948	8.6
140.06085	1.3
141.06975	8.7
147.04359	2.3
149.05945	3.2
150.06737	2.1
152.06180	8.3
153.06976	36.9
154.07700	3.4
155.08536	21.9
157.06467	3.4
165.06978	84.9
166.07332	2.1
167.54115	1.0
168.05699	14.1
169.06415	6.7
170.07266	1.2
181.06459	20.2
182.07265	7.7
183.08034	44.1
185.05838	6.1
187.07466	1.4
188.14140	1.1
193.06374	16.8
194.07219	2.7
195.08026	2.6
196.05185	7.6
197.05957	5.9
197.09579	2.2
198.06688	1.8
199.07416	2.9
200.08282	4.5
207.04472	5.5
209.05847	1.5
210.06673	5.1
211.07510	48.0
212.08302	6.4
213.05428	3.5
213.09175	1.7
215.10789	1.6
221.05959	16.7
225.05663	1.1
225.09073	4.0
227.06892	2.1
228.07796	5.4
239.06985	8.0
241.08473	2.3
242.09258	6.8
243.10181	5.8
253.08499	1.7
256.07208	1.7
257.08115	1.6
271.09619	100.0
271.20499	2.6
272.09933	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	271.0961
Annotation	3,5-Dihydroxy-2,4-dimethoxyphenanthrene
Peak:m/z	Relative Intensity
54.59533	3.3
58.46029	3.2
67.05483	4.7
71.75191	7.5
71.85976	3.5
76.72190	3.9
81.07039	5.7
91.05495	10.0
105.07037	6.9
115.05473	12.9
116.06226	4.3
119.05109	3.5
119.08608	6.8
128.06177	5.9
129.07001	9.3
131.04932	5.8
137.71436	3.9
139.05450	11.4
140.06221	23.1
141.06998	29.6
142.07686	4.3
145.06470	11.5
150.04654	5.0
151.05443	13.7
152.06158	41.0
153.06981	80.7
154.07727	4.7
155.04933	6.7
155.08525	14.4
159.08073	6.3
165.06973	22.7
168.05690	68.9
169.06477	48.2
171.04390	4.6
171.08034	4.7
179.04865	8.7
181.06491	10.6
182.07256	4.4
183.08026	52.9
185.06070	7.8
196.05191	71.2
197.05963	100.0
198.06740	6.9
211.07513	96.3
212.08159	7.4
213.09058	19.8
221.06004	3.4
221.11406	4.2
227.07265	4.2
228.07846	12.0
229.08539	7.0
239.07045	8.8
243.06477	4.3
243.10217	18.0
245.10739	4.1
256.07370	20.5
271.06070	41.9
271.09659	97.5
271.20810	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	271.0809
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.0
54.25039	0.6
55.01855	1.5
55.05500	1.9
56.96555	1.5
57.03436	0.9
57.07056	1.5
65.03918	0.7
65.31259	0.6
67.05482	1.2
69.03411	0.8
69.07043	1.2
70.06581	6.5
71.37494	1.1
71.52715	0.6
72.08138	1.4
73.02916	3.0
77.53587	0.6
79.05474	1.9
81.03405	33.8
81.07038	1.4
83.04964	3.5
84.04503	1.4
84.08125	3.8
85.02888	11.0
86.09711	4.4
88.03951	0.8
91.05454	2.4
93.03381	0.7
93.07058	0.6
95.01325	1.7
95.04959	1.7
95.08588	1.2
97.02860	0.9
99.04427	0.9
101.02372	3.9
103.03954	0.8
105.03420	0.7
107.04958	1.7
109.02865	100.0
110.03201	1.3
110.07175	4.6
111.04430	0.8
112.07611	0.7
113.02365	2.2
116.07104	0.7
116.98632	0.8
119.04924	2.1
121.02853	1.9
121.06548	0.9
122.07122	0.7
123.04420	1.3
127.03902	2.3
129.10249	1.4
130.04959	0.8
130.08568	1.0
133.02840	1.7
134.05988	1.3
135.04359	1.0
137.05936	1.6
139.03903	1.3
145.53490	0.6
147.04385	2.3
149.02344	0.7
149.05933	1.2
151.03899	1.1
152.07054	2.6
153.01826	0.7
153.05412	0.9
161.01131	1.1
163.03922	2.3
165.05461	2.0
167.03369	3.1
175.03879	1.2
177.05431	1.5
181.04961	1.5
183.06491	0.9
186.06178	0.6
191.06992	0.6
193.04958	2.3
195.08752	0.9
211.05988	17.8
211.07872	1.3
221.04446	4.5
232.48689	0.6
239.05383	1.2
253.07109	2.2
271.05896	1.9
271.08212	9.0
271.17371	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.081
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.7
55.01854	1.2
55.05505	0.7
57.03425	1.0
57.07065	0.4
61.02916	0.4
65.03924	0.6
67.05495	1.0
68.99777	0.8
69.07055	0.6
70.06588	0.8
71.47385	0.8
72.08139	1.4
73.02911	1.7
75.04443	0.5
79.05509	1.7
79.05871	0.3
81.03412	32.3
81.07043	0.8
82.03743	0.3
83.01347	0.4
83.04980	2.8
84.04486	1.5
84.08125	0.6
85.02899	10.9
86.09689	0.4
87.04456	0.5
91.05476	1.7
93.03416	0.3
95.01287	0.4
95.04957	1.4
96.08106	1.0
97.02918	0.6
98.97607	0.5
101.02378	4.6
103.03928	0.4
105.03360	0.4
107.04972	0.7
109.02872	100.0
109.65778	0.3
110.03217	1.0
111.00809	0.6
111.04431	1.3
113.02364	1.8
119.04941	1.4
121.02852	1.8
123.04421	1.0
125.07506	0.3
127.03883	2.0
128.32709	0.4
129.01881	0.8
130.04968	1.1
131.04951	0.6
133.02821	1.9
135.04430	1.0
137.05960	1.1
139.03876	1.8
142.08627	0.7
143.03401	0.5
143.08533	0.3
147.04408	1.2
149.02289	0.6
149.06052	0.6
151.03868	0.9
152.07097	0.5
155.16220	0.4
161.06015	0.6
163.03885	1.7
165.05473	1.5
167.03433	1.8
169.05000	0.4
175.03917	1.2
177.05466	0.4
179.03391	0.8
181.04968	1.8
183.06503	0.9
191.03441	0.5
193.04959	2.2
203.03363	0.5
211.06001	16.4
221.04408	3.9
225.07556	0.5
229.07091	0.6
235.06035	1.0
239.05493	0.9
243.06468	0.4
247.55164	0.3
253.07153	1.6
271.05884	1.3
271.08228	7.8
271.10757	0.8
271.12994	0.4
272.08578	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0809
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	0.6
55.01847	1.1
57.03423	1.3
60.71931	0.4
64.04406	0.5
65.03922	0.6
67.05495	0.5
68.99780	0.5
69.03417	0.6
70.06577	2.1
70.34293	1.9
72.08136	0.7
73.02901	1.4
76.17207	0.5
79.05489	0.5
81.03404	31.9
81.07030	0.5
83.04958	2.4
84.08127	1.0
85.02894	10.1
86.09689	1.8
87.04450	0.9
91.05457	1.4
95.04970	1.0
95.38638	0.5
99.04465	0.6
101.02365	5.2
107.04924	0.8
109.02861	100.0
110.03234	0.7
110.07142	1.3
111.04434	0.9
112.82915	0.5
113.02336	1.8
119.04910	1.8
120.97746	0.4
121.02854	1.2
121.43431	0.4
123.04395	1.4
127.03917	1.7
129.01797	0.5
130.04970	0.5
131.04822	0.5
133.02844	1.9
134.06010	1.0
135.04422	0.6
136.06171	1.4
136.07361	0.5
137.05861	4.0
139.03920	0.8
139.04941	0.6
143.03418	0.7
147.04391	3.3
149.05922	0.6
150.05618	0.5
151.03899	0.9
152.07008	2.3
155.07062	0.5
163.03860	2.2
165.05438	1.7
167.03352	2.4
170.34856	0.4
175.03966	0.8
177.05496	0.6
179.03378	0.5
179.07040	0.6
181.04948	1.7
183.06410	0.6
193.05009	2.4
203.03381	0.5
211.05988	17.9
221.04387	5.0
235.05869	0.7
239.05522	1.5
253.07050	2.0
271.08109	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	271.0745
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.1
55.01865	1.1
55.05495	1.4
56.96565	5.0
57.03432	1.8
57.07043	1.7
60.04517	1.8
66.99711	0.9
67.05471	1.0
69.03448	2.2
69.07064	2.6
70.06587	18.1
71.04972	1.8
71.06920	1.3
71.13869	1.3
71.14197	1.1
72.08150	3.1
73.76623	1.1
79.05482	3.6
81.03410	16.8
81.07027	1.6
82.06533	1.1
83.04989	1.4
83.06112	1.4
84.04493	3.1
84.08126	7.5
84.96065	1.0
85.02895	5.0
86.09699	3.3
91.05486	2.6
93.04548	1.1
93.07001	1.2
94.06558	2.8
95.04980	1.4
95.08630	1.6
96.08119	1.2
97.02895	2.5
97.06534	0.9
97.20887	0.9
98.97573	1.0
101.02366	2.4
106.06544	1.8
107.04932	1.2
109.02867	40.6
110.06025	1.7
110.07152	11.1
111.04411	1.4
111.07511	1.4
112.07590	3.1
113.02358	1.2
113.04598	1.7
115.08697	1.1
116.07118	1.4
116.98613	2.2
119.04939	2.6
119.08585	1.2
122.06007	2.7
123.06792	1.7
124.07578	6.0
127.03948	1.6
127.08686	1.1
129.10249	3.3
134.05997	56.8
136.07561	2.9
137.05965	4.8
138.05499	2.3
139.03912	1.0
139.05028	1.3
139.06143	2.5
140.03474	1.4
140.07060	4.1
141.04076	2.1
143.00139	1.6
146.06042	1.2
147.04366	5.2
148.06293	1.6
148.07518	1.9
149.07109	13.0
150.05493	19.6
150.06593	1.8
152.07048	100.0
153.07484	1.6
156.04752	1.5
161.01202	4.4
161.07126	3.5
162.07896	2.5
163.03900	1.5
163.08676	6.5
166.07387	4.3
167.03403	1.3
172.95221	1.2
173.07118	2.7
175.08662	16.8
176.09431	24.1
176.10861	1.8
179.06990	2.0
184.04466	1.1
191.08035	1.4
193.05019	1.3
205.00169	1.0
211.05965	7.3
219.07623	20.9
220.08432	3.8
221.04436	1.6
223.01295	2.0
225.08873	1.9
227.08453	21.0
227.10519	1.7
235.61412	0.9
237.08690	7.8
238.09358	1.4
271.07529	52.9
271.16800	1.2
271.20996	0.9
271.26248	2.3
272.07605	1.4
272.10251	1.0
272.17169	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0599
Annotation	Apigenin
Peak:m/z	Relative Intensity
51.18128	0.1
55.01851	0.2
55.05494	0.2
57.03426	0.2
57.68623	0.2
58.76239	0.1
59.99044	0.2
67.01864	1.7
67.05503	0.2
68.99776	1.2
69.03407	0.2
69.07049	0.5
69.97308	0.8
70.06578	0.4
72.08143	0.3
81.03391	0.2
81.07031	0.6
84.08122	0.2
85.06493	0.2
88.02191	0.4
91.05473	2.4
93.07026	0.5
95.04948	0.4
95.08588	0.5
97.06483	0.2
105.07002	0.5
107.04850	0.2
107.08561	0.2
109.06499	0.2
109.10137	0.4
114.10264	0.4
115.05408	0.2
116.05308	0.1
119.04930	6.6
119.08549	0.3
121.02855	1.8
121.10166	0.3
123.07944	0.3
123.11685	0.2
125.02297	0.2
129.01826	0.4
131.08543	0.2
133.10112	0.3
135.07985	0.2
137.05930	0.2
137.09607	0.2
138.05446	0.1
141.06963	0.5
145.02832	1.6
153.01813	12.3
153.06975	0.9
154.02223	0.2
154.04373	0.4
154.07686	0.2
155.08490	0.5
155.54224	0.2
157.06450	0.2
161.09567	0.2
163.03868	0.9
165.06984	1.8
165.09097	0.3
167.03406	0.2
167.10646	0.1
168.05719	0.4
169.06453	0.5
171.02879	1.5
173.05905	0.2
175.14752	0.2
181.06439	0.5
181.15105	0.3
182.07115	0.2
183.08020	1.0
185.05939	0.2
185.76732	0.2
187.03909	0.3
193.06366	0.3
196.05141	0.3
197.05936	0.8
203.07024	0.3
203.14642	0.3
211.07523	0.8
221.05984	0.4
225.05423	0.9
229.04918	0.6
230.69165	0.2
239.07059	0.2
243.06456	1.0
243.10304	0.2
247.06015	0.2
253.05106	0.2
253.18062	0.3
271.05984	100.0
272.06311	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0595
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	0.3
55.05489	0.4
57.03415	0.4
57.07054	0.2
65.03913	0.3
67.01859	1.9
67.05502	0.9
68.99783	1.2
69.03416	0.3
69.07047	0.6
69.64848	0.2
69.65244	1.1
70.06579	0.5
71.04973	0.4
72.08139	0.4
79.05476	0.4
81.03400	0.3
81.07047	0.9
83.04971	0.2
83.08644	0.2
84.08157	0.2
85.02913	0.1
85.06524	0.2
86.65343	0.1
91.04928	0.2
91.05470	2.8
93.07033	0.6
95.04941	0.5
95.08572	0.7
97.06534	0.2
97.07624	0.2
98.09683	0.1
98.20698	0.2
98.67907	0.1
105.07018	0.7
107.04939	0.2
107.08603	0.6
109.02853	0.2
109.06449	0.1
109.10146	0.5
110.18951	0.2
111.00790	0.3
114.10257	0.5
117.07005	0.1
119.04935	5.6
119.08557	0.4
120.08064	0.2
121.02853	1.9
121.10091	0.2
123.04433	0.2
125.02325	0.2
125.09618	0.2
129.01819	0.5
129.06993	0.2
131.04922	0.3
131.08546	0.3
133.06462	0.2
133.10138	0.4
135.08075	0.2
135.11647	0.2
137.02301	0.2
137.05963	0.4
137.09589	0.2
139.11192	0.2
141.06979	0.5
143.08458	0.2
145.02832	1.6
145.06525	0.2
145.10059	0.2
148.07565	0.2
152.06137	0.3
153.01811	12.0
153.06960	0.9
154.02136	0.2
155.04915	0.2
155.08525	0.6
157.06497	0.2
161.09599	0.2
163.03905	1.0
165.06976	2.5
168.05684	0.5
169.06511	0.4
169.07773	0.1
171.02846	1.7
173.09607	0.2
175.14810	0.3
181.06436	0.5
181.15091	0.1
182.07205	0.2
183.08060	1.2
185.05931	0.2
187.03911	0.4
189.16403	0.2
193.06496	0.4
197.05939	0.6
201.05457	0.2
203.06982	0.2
203.16429	0.1
207.04366	0.3
211.07542	1.1
213.09192	0.1
217.15929	0.2
221.05959	0.4
225.05370	0.7
225.09122	0.1
225.15994	0.2
226.06146	0.2
227.17700	0.2
229.04932	0.5
233.63438	0.1
235.16963	0.2
239.06999	0.2
242.09442	0.2
243.06506	0.8
243.10210	0.2
243.14876	0.2
247.05949	0.2
253.05081	0.2
253.18053	0.3
271.05984	100.0
272.06265	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	269.1897
Annotation	4-[1-Ethyl-2-(4-methylphenyl)butyl]phenol
Peak:m/z	Relative Intensity
51.09960	1.5
55.05502	2.7
57.03420	2.1
67.05488	8.3
69.07051	4.0
69.90759	8.7
75.49023	1.4
77.24362	1.6
78.03544	1.4
79.05491	8.7
81.07045	13.4
83.08615	2.0
91.05461	10.4
93.07028	10.8
95.08605	12.5
96.42047	1.4
99.90461	1.5
105.07016	13.1
107.08595	8.3
109.10123	5.9
114.87341	1.6
117.07000	6.1
119.04944	1.8
119.08564	8.8
121.10145	3.5
128.06131	2.0
129.06975	6.6
131.08557	11.4
133.10107	8.2
136.06200	2.7
136.22624	1.7
141.06970	5.5
142.07832	2.5
143.08543	13.5
145.10103	10.4
147.07976	2.5
147.11658	6.4
149.13187	1.9
155.08516	13.3
156.09401	3.9
157.06471	4.2
157.10114	11.2
159.11668	10.1
161.09581	3.4
161.13190	4.0
165.06956	2.4
167.08569	3.2
169.10123	10.5
171.07971	1.7
171.11681	11.2
173.13226	5.5
175.11226	1.9
179.08568	2.9
179.15533	1.5
180.09361	1.8
181.10114	6.3
183.06354	2.0
183.11664	6.4
185.09570	1.9
185.13226	10.1
187.11159	6.0
189.12744	2.3
193.10060	1.8
195.11673	9.7
197.13214	5.1
199.11119	15.4
199.14856	4.5
208.12405	3.7
209.13260	6.8
210.13972	1.9
211.14853	14.0
213.12769	8.5
213.16313	8.2
217.33733	1.5
223.14810	13.8
225.16306	5.1
227.14285	3.7
227.17953	2.8
239.17921	4.9
241.15807	2.7
241.19501	19.6
251.17911	18.0
269.18985	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1897
Annotation	4-[1-Ethyl-2-(4-methylphenyl)butyl]phenol
Peak:m/z	Relative Intensity
52.02861	0.6
53.03923	0.7
55.05503	2.9
57.02322	0.6
67.05494	7.7
68.06461	0.7
68.52995	0.6
69.07066	4.6
69.50919	5.3
70.06563	0.9
71.04981	1.1
79.05482	9.4
79.88415	0.7
80.98265	0.6
81.07042	12.5
83.04967	0.9
83.08603	1.3
91.05455	8.5
93.07027	9.0
95.04967	1.1
95.08589	14.2
97.06491	1.0
103.05434	1.4
105.06334	1.0
105.07014	11.7
105.07706	0.9
107.08587	5.8
109.06478	0.9
109.10165	2.9
110.07167	0.9
115.05414	1.4
117.06995	5.1
119.08563	8.3
120.08064	1.8
121.06506	1.2
121.10090	2.6
123.07998	0.7
128.06219	2.1
129.06995	8.3
130.07800	0.7
131.08553	10.9
132.08867	0.8
133.10101	5.3
135.08049	0.9
135.11681	1.5
137.09557	1.3
141.06976	4.9
142.07750	1.3
143.08539	11.5
145.06459	2.1
145.10103	9.4
147.08026	1.1
147.11671	5.3
149.13219	1.4
153.06961	1.1
155.08534	19.8
156.09283	2.0
157.06447	2.0
157.10112	11.7
159.11665	10.1
161.09604	1.8
161.13223	4.5
165.06976	1.2
167.08502	3.4
168.09325	0.7
169.10100	8.2
170.10881	1.3
171.08073	1.2
171.11667	11.2
173.09567	1.6
173.13217	4.1
175.11162	3.0
179.08546	2.1
180.09303	1.3
181.10109	5.9
182.10892	1.1
183.11598	4.8
185.09535	1.0
185.13234	8.1
187.11200	5.0
189.12711	2.2
193.10133	1.9
194.10915	1.6
195.11662	12.3
196.12402	1.2
197.13202	4.9
199.11140	14.3
199.14778	4.1
201.12744	1.7
208.12387	2.4
209.13272	6.3
210.13991	2.0
211.14792	18.4
212.15428	1.8
213.12791	5.7
213.16342	7.5
222.13965	0.7
223.14742	11.4
225.16315	3.7
227.14284	1.8
227.17892	2.1
236.15529	1.0
239.17950	3.2
241.15833	1.2
241.19466	25.9
251.17921	18.6
269.18967	100.0
270.19296	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1898
Annotation	4-[1-Ethyl-2-(4-methylphenyl)butyl]phenol
Peak:m/z	Relative Intensity
55.05496	3.5
55.87426	1.4
57.07077	2.2
62.08624	1.5
67.05505	9.5
67.43777	1.5
67.99599	1.6
69.07048	6.1
69.37558	1.6
71.62466	1.5
79.05473	10.0
81.07047	14.1
83.08591	2.9
87.04451	3.3
91.05463	8.9
93.07043	10.5
95.08594	14.9
97.06516	2.0
98.21479	2.9
105.07005	12.6
107.08569	6.4
109.06499	1.9
109.10121	3.3
117.07014	4.6
119.04888	1.3
119.08532	7.2
121.06529	2.6
121.10167	2.1
122.32993	1.7
129.06970	8.1
130.02766	1.7
131.08556	14.6
133.10048	6.8
135.08073	1.7
135.11621	1.9
141.06949	5.5
142.07739	2.0
143.08585	9.5
145.06480	2.0
145.10103	7.7
145.11096	1.4
147.11647	7.4
149.13168	2.4
155.08525	14.9
156.09373	4.2
157.06473	2.2
157.10135	11.5
159.11647	12.6
161.09645	3.0
161.13252	3.4
165.07051	1.7
167.08493	2.2
169.10085	8.8
171.08067	2.7
171.11655	10.6
173.13237	4.4
175.11163	3.6
175.14708	1.5
179.08562	2.2
180.09369	1.6
181.10117	5.8
183.11652	5.2
185.09605	2.0
185.13223	9.6
187.11150	6.6
187.14784	2.0
189.12726	1.8
195.11662	10.8
197.13213	4.4
199.11162	18.7
199.14792	5.2
208.12410	2.2
209.13185	6.1
211.14757	11.6
213.12740	9.1
213.16418	6.3
223.14807	12.2
225.16438	3.0
227.14220	3.0
227.17941	3.6
229.50098	1.7
239.17984	3.3
241.19492	25.3
251.17912	20.9
269.18979	100.0
270.19315	2.7
287.12262	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1745
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
52.18914	1.0
53.03928	4.1
55.01857	2.4
55.05504	24.5
57.03155	2.1
57.03425	26.9
57.07067	2.7
65.03931	2.6
67.05496	87.8
68.05823	1.6
69.03422	3.0
69.07060	28.6
69.90942	2.6
69.91356	4.5
70.04858	1.1
71.04983	7.0
71.08622	1.7
72.08131	2.5
74.06081	1.0
76.68748	1.2
79.05016	2.2
79.05482	41.9
81.03407	3.0
81.07044	100.0
82.07362	1.8
83.04976	10.4
83.08124	0.9
83.08604	19.6
85.06533	7.3
86.09707	1.6
91.04918	2.2
91.05467	33.0
93.07030	70.7
95.01332	2.0
95.04944	9.1
95.08597	27.7
97.06513	21.1
97.10136	3.2
98.20673	1.2
99.08073	5.5
105.07013	16.3
107.04953	1.4
107.08578	31.9
109.06479	4.0
109.10133	8.2
111.08084	10.8
111.11747	1.4
113.05997	1.8
113.09657	1.5
116.16895	1.2
117.06997	13.8
119.08532	6.1
121.06432	1.9
121.10130	17.8
123.08066	2.3
123.11688	4.6
129.06992	3.5
131.08548	15.9
133.10129	17.4
135.08047	2.8
135.11674	13.9
136.06206	1.6
142.07803	1.1
142.17569	1.2
143.08557	1.8
145.10072	1.4
147.11719	2.2
149.09572	1.3
149.13235	40.9
150.13519	1.4
151.11182	4.7
157.10143	2.7
159.08031	1.4
159.11678	31.4
161.13194	4.0
164.07034	3.2
165.12694	1.0
167.14264	1.2
171.11534	1.5
173.13269	1.3
175.37091	1.1
177.12720	15.8
179.14255	1.6
183.06549	1.9
187.14690	1.3
195.13788	12.9
269.04596	1.2
269.08051	2.3
269.12848	2.2
269.17444	63.6
269.22559	6.2
270.17902	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1896
Annotation	4-[1-Ethyl-2-(4-methylphenyl)butyl]phenol
Peak:m/z	Relative Intensity
53.03947	1.0
53.43359	0.8
55.05499	2.8
56.60383	0.8
57.03413	1.5
57.07063	1.3
67.05499	8.2
69.07056	3.3
69.41890	2.7
69.42314	5.2
70.06566	2.0
72.08153	0.8
79.05486	8.4
81.03413	1.2
81.07048	11.5
83.04973	1.4
83.08598	2.0
84.08141	1.8
85.06541	0.9
86.09682	1.0
89.34158	0.7
91.05467	9.5
93.07035	9.5
95.04941	1.6
95.08604	11.6
97.06546	1.6
105.07018	14.4
107.04929	1.0
107.08572	5.7
109.06522	1.0
109.10128	3.2
110.07156	1.7
115.05440	2.0
117.06989	7.2
119.08553	8.3
120.08100	1.0
121.06476	1.5
121.10124	1.8
123.08083	1.1
128.06175	1.9
129.06989	8.6
131.04907	0.8
131.08553	12.0
133.06488	1.5
133.10109	5.2
135.08040	0.8
135.11658	2.5
137.05876	1.0
141.06969	5.6
142.07776	2.1
143.08551	11.9
145.06485	7.0
145.10106	8.5
147.08023	1.9
147.11670	6.2
149.09625	0.7
149.13197	2.2
152.06154	0.8
153.07011	1.5
154.07755	1.3
155.08522	16.4
156.09323	1.3
157.06453	2.2
157.10110	10.7
159.08017	0.8
159.11670	11.4
161.05962	2.3
161.13242	4.3
165.07008	2.7
166.07773	2.1
167.08606	2.1
168.09169	0.8
169.10124	10.0
170.10976	0.9
171.08080	1.1
171.11678	10.1
173.09633	0.9
173.13254	3.7
175.11174	3.2
175.14713	0.9
177.06929	1.0
177.12769	1.1
178.07787	2.2
179.08510	2.7
180.09262	1.2
181.10101	6.0
183.11653	5.8
185.13255	6.6
187.11179	5.1
187.14832	1.0
189.12741	1.8
193.10075	1.5
194.07259	3.8
195.11696	11.7
197.13249	4.6
198.66762	0.8
199.11176	14.0
199.14819	3.8
201.12788	1.3
207.11716	1.1
208.12450	2.3
209.09598	6.4
209.13264	6.1
211.14789	17.4
212.15501	1.9
213.12720	6.3
213.16313	6.9
222.06700	1.4
223.07442	1.2
223.14787	10.6
225.16228	3.6
227.06929	1.2
227.14293	1.5
227.17900	2.9
237.09059	7.9
238.09749	0.9
239.17931	3.7
241.15831	1.7
241.16969	1.3
241.19495	26.2
251.17934	18.7
251.20322	1.5
254.09262	1.5
269.08127	1.6
269.11682	11.8
269.18979	100.0
270.08878	1.8
270.19308	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1744
Annotation	[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
53.03925	3.4
55.01855	2.5
55.05508	23.5
55.95337	1.1
56.42998	1.3
57.03162	1.5
57.03429	24.3
57.07058	4.0
58.27518	1.1
65.03932	2.2
67.05499	77.4
69.03403	1.7
69.06695	1.5
69.07063	27.5
70.00750	6.6
71.04967	5.1
73.02917	1.6
73.72858	1.1
79.05029	2.2
79.05487	41.3
81.03394	2.4
81.07049	100.0
83.04978	10.6
83.08615	19.8
85.06519	5.5
91.04932	2.0
91.05473	31.7
93.07037	65.2
95.04961	9.1
95.08595	26.4
97.06522	16.0
97.10144	2.7
99.04442	1.5
99.08062	7.4
105.07008	12.4
107.08582	31.5
109.06503	4.5
109.10152	5.2
111.08050	10.3
117.07028	12.0
119.08553	3.4
121.10136	16.0
122.83196	1.1
123.11697	2.9
131.08546	13.9
133.10104	16.5
135.08040	2.6
135.11682	12.1
138.23952	1.3
145.10086	2.0
147.11630	3.4
149.13239	36.2
151.11165	2.9
157.10077	2.9
159.11679	27.8
161.13281	3.3
167.14313	1.3
173.13309	1.7
177.12720	15.5
179.14293	2.0
183.06528	1.3
189.38995	1.2
195.13779	10.9
251.16554	2.2
265.47495	1.2
269.17456	50.2
269.22061	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	269.1742
Annotation	Helibisabonol A
Peak:m/z	Relative Intensity
53.03926	3.6
54.23409	3.6
55.05500	14.3
57.03438	8.6
57.07069	8.9
59.04990	4.6
67.05497	34.6
69.03424	41.2
69.07075	18.1
70.06593	8.4
71.04980	54.8
71.33716	7.3
72.08144	7.1
72.54322	3.1
79.05484	16.5
81.03408	9.5
81.07045	47.7
83.04974	12.8
83.08611	4.2
84.08135	10.5
85.06561	7.5
86.09705	4.2
91.05468	22.3
93.07033	27.4
95.04964	19.8
95.08604	32.1
96.49257	3.6
97.06525	11.5
99.04443	6.4
99.08115	20.9
105.06993	36.0
107.04901	7.1
107.08587	33.6
109.02892	12.0
109.06506	11.6
109.10148	77.4
110.07147	4.4
111.08069	4.6
113.05988	19.4
119.08582	44.7
120.08065	9.2
121.04016	4.0
121.06471	9.5
121.10149	26.4
123.04395	5.9
123.08060	79.8
123.11716	5.6
125.05993	10.0
125.09624	9.7
127.11186	50.2
130.04083	3.4
131.08543	11.0
133.10132	36.1
135.08044	7.1
135.11720	6.5
137.09602	65.5
139.05028	3.5
139.11096	3.6
141.05447	14.0
142.28717	3.9
145.10068	22.6
147.08023	18.8
147.11705	10.9
149.06036	5.0
149.09595	10.3
151.11192	13.7
152.05667	22.5
153.04132	5.9
153.06100	18.8
153.09120	21.3
155.10637	24.1
157.08682	4.4
157.10049	6.0
158.10928	4.0
159.11638	5.2
161.09610	28.1
163.11159	14.6
165.09140	18.1
171.11676	3.9
173.13264	15.7
177.16408	7.5
179.10649	6.4
183.10149	100.0
183.11691	6.3
187.14780	14.5
191.07095	5.2
191.14330	21.9
197.11742	18.6
205.15897	17.6
209.15376	6.4
215.14310	9.1
223.16933	6.7
233.15334	56.3
251.09332	4.4
251.16376	44.4
265.92371	4.1
269.14612	8.3
269.17276	51.5
270.16980	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1744
Annotation	[3S-[3lphaa,4beta,5beta,7beta(1R*,4S*)]]-7-(4-Hydroxy-1,4-dimethyl-2-cyclohexen-1-yl)-7-methyl-1-oxaspiro[2.4]heptane-4,5-diol
Peak:m/z	Relative Intensity
52.96492	1.2
53.03091	1.5
53.03925	3.6
55.01863	3.8
55.05504	18.2
57.03432	26.4
57.07051	4.1
62.38513	1.4
65.03922	2.6
67.05499	76.5
69.07063	30.8
70.10072	8.3
71.03858	1.7
71.04966	5.1
71.08609	1.9
72.08846	1.4
79.05485	43.2
80.12933	1.4
81.03418	1.8
81.07048	100.0
83.04961	9.6
83.08611	18.5
85.06517	5.0
91.05477	23.1
93.07037	65.9
93.50565	1.4
95.04945	9.0
95.08603	28.0
97.06522	16.6
97.10146	2.2
99.08072	5.1
105.04548	1.5
105.07030	11.0
107.08582	29.0
109.06515	3.4
109.10123	4.8
111.08062	9.3
117.06999	9.4
119.08576	3.1
121.10134	21.0
123.11713	2.6
129.06990	1.9
131.00014	2.8
131.08575	11.6
133.02759	1.4
133.10092	10.2
135.11674	11.9
149.09663	1.8
149.13229	37.6
151.11125	1.8
159.11656	24.3
161.13254	2.8
167.14278	2.3
174.99014	2.2
177.12720	12.5
189.00542	2.0
195.13785	13.1
203.02065	1.6
223.33728	1.6
237.90376	1.5
269.04221	2.8
269.17459	50.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1745
Annotation	Arteincultone
Peak:m/z	Relative Intensity
55.05505	24.9
57.03430	26.5
57.07055	14.7
65.03906	3.5
67.05497	79.9
69.07064	28.5
71.04967	10.1
71.08624	4.8
75.03230	4.0
79.05488	52.2
81.03384	5.8
81.07050	100.0
83.04968	8.7
83.08615	19.1
85.06528	10.1
91.05472	23.0
93.07036	68.8
95.04955	8.4
95.08109	3.4
95.08617	31.5
97.06526	18.1
105.06995	11.7
107.08580	30.1
109.06517	6.9
109.10155	8.0
111.08056	8.5
117.06986	7.9
121.06411	3.9
121.10101	22.5
131.08559	11.2
133.10101	12.9
135.11667	15.2
137.06480	4.8
139.11095	4.5
139.21188	4.1
140.11743	3.9
147.11696	4.9
149.13240	44.5
159.11665	24.6
177.12750	9.2
183.06432	5.3
189.93015	4.9
195.13789	14.1
224.67534	3.8
251.20026	4.8
269.17441	52.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	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
52.64207	2.7
53.03935	3.8
55.05502	26.2
57.03435	37.6
57.07064	6.2
60.91579	2.1
65.03961	2.7
67.05499	83.7
69.07059	34.4
70.06570	2.5
71.04975	8.4
71.75005	3.6
74.77900	2.2
79.05482	49.1
81.03416	3.7
81.07051	100.0
81.07537	5.3
83.04967	12.6
83.08610	19.1
85.02899	2.7
85.06524	7.9
86.62512	2.3
91.05461	28.5
93.07034	79.2
95.04969	11.3
95.08591	29.7
97.06528	17.3
98.20937	3.1
99.08098	6.9
105.07022	10.6
107.04876	4.0
107.08579	31.5
109.06502	6.2
109.10158	5.7
111.08062	5.2
117.07020	14.6
119.08554	3.4
121.10136	22.9
123.11700	5.7
131.08554	14.1
133.10138	16.5
135.08070	2.6
135.11714	12.5
136.06226	3.7
149.09627	7.4
149.13239	38.5
151.11252	3.3
159.11678	21.9
161.13269	2.8
167.14224	3.4
177.12785	11.1
183.06563	2.5
195.13751	16.0
199.90842	2.5
209.11624	2.3
210.38008	2.2
221.70003	2.3
233.15387	2.9
269.08109	3.9
269.17453	51.2
279.60913	2.9
281.83878	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1743
Annotation	Arteincultone
Peak:m/z	Relative Intensity
53.03944	4.2
55.01862	2.8
55.05237	1.8
55.05501	20.0
57.03158	2.1
57.03431	31.9
57.07059	3.9
57.99522	1.3
59.41696	1.6
64.58293	1.1
65.03927	2.0
67.05499	72.7
69.07059	28.0
70.65907	1.2
70.69655	5.5
71.04970	6.6
79.05486	41.4
81.03405	2.0
81.07049	100.0
83.04969	10.2
83.08614	18.7
85.06525	5.3
91.05465	23.9
93.07033	65.7
95.04946	8.3
95.08596	27.9
97.06505	16.5
98.20720	1.7
99.08081	5.2
105.07021	10.9
107.08578	30.7
109.06500	5.1
109.10143	3.3
111.08083	11.2
117.07005	12.2
119.08551	3.2
121.10117	17.9
123.11690	4.3
131.08554	10.5
133.10132	11.2
135.08109	1.6
135.11678	10.6
139.11237	2.1
149.13251	37.9
151.11143	1.9
157.10152	1.6
159.11685	19.3
177.12711	10.1
195.11049	1.4
195.13826	11.4
197.09325	1.5
269.17441	43.6
277.07224	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1745
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	4.0
55.01862	3.1
55.05510	20.9
57.03433	34.2
57.07059	4.0
58.75716	1.2
65.03915	1.9
67.05499	75.6
69.03407	1.5
69.07059	27.0
70.34956	4.8
71.04987	7.7
71.08598	1.7
79.05489	46.0
81.03381	2.1
81.07049	100.0
83.04978	12.2
83.08615	20.4
85.06528	5.8
91.05466	26.0
92.61043	1.3
93.07037	61.8
95.04976	7.4
95.08010	1.9
95.08595	27.4
97.06516	12.8
97.10110	1.7
99.08061	4.2
105.07024	9.6
107.04945	1.5
107.08588	38.3
109.06483	5.0
109.10143	4.6
111.08078	9.1
113.09618	2.4
116.16798	1.2
117.07013	10.4
119.08562	3.4
121.06480	2.3
121.10129	18.9
123.11702	3.5
131.08540	12.6
133.10100	9.6
135.08081	1.9
135.11681	11.7
136.06137	1.4
139.11151	2.0
147.11624	1.4
149.09505	1.3
149.13243	42.8
151.11191	2.0
159.11696	18.6
171.11678	1.4
177.12724	9.9
183.06659	1.6
186.21628	1.1
195.13770	13.6
210.48125	1.2
269.07901	1.2
269.14743	2.6
269.17432	41.2
269.21732	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1745
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
53.03930	3.0
55.01857	3.0
55.05280	1.8
55.05505	21.7
56.01016	1.1
57.03172	2.0
57.03431	33.4
57.07055	4.1
65.03925	3.3
67.05498	80.9
69.06696	1.8
69.07059	31.3
69.82785	10.0
71.04986	7.4
79.05025	2.4
79.05488	44.5
81.03408	1.6
81.07048	100.0
83.04970	10.0
83.08610	20.2
85.06522	5.4
89.64209	1.2
89.65520	1.2
91.04935	1.6
91.05470	25.7
93.07037	70.3
95.04965	6.8
95.08599	23.0
97.06530	17.3
97.10165	2.7
98.20795	2.5
99.08072	3.3
99.80008	1.1
105.04457	1.3
105.07027	11.3
107.08587	33.5
109.06510	3.3
109.10130	4.2
111.08078	8.5
117.06995	11.6
119.04941	1.4
119.08573	5.2
121.10126	19.9
123.11676	2.3
127.18746	1.2
129.07030	1.3
131.08546	12.6
133.10112	11.9
135.08009	2.1
135.11696	10.5
139.11191	1.7
147.11664	3.5
149.13246	43.8
151.11159	1.7
157.10188	1.8
159.11679	27.8
161.13226	2.8
167.14340	3.1
177.12733	13.7
179.14288	2.8
195.13782	14.3
237.72992	1.3
240.20703	1.2
269.17456	48.0
269.22272	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1746
Annotation	[3S-[3lphaa,4beta,5beta,7beta(1R*,4S*)]]-7-(4-Hydroxy-1,4-dimethyl-2-cyclohexen-1-yl)-7-methyl-1-oxaspiro[2.4]heptane-4,5-diol
Peak:m/z	Relative Intensity
53.03952	2.5
55.01867	3.0
55.05509	27.1
57.03161	1.8
57.03429	29.2
57.07060	3.8
65.03925	3.4
67.05501	86.1
69.03399	1.4
69.06699	2.1
69.07063	34.6
70.18812	4.7
71.04987	6.9
79.05486	47.1
81.03419	2.1
81.07050	100.0
81.19206	1.1
82.07381	1.3
83.04980	8.3
83.08620	21.3
85.06529	8.3
87.04453	1.5
91.04940	1.4
91.05473	28.1
93.07039	68.4
95.04974	6.5
95.08595	28.1
97.06532	16.9
97.10156	2.0
98.21349	2.2
99.08073	5.9
103.03911	1.4
105.07037	12.5
107.08576	34.7
109.06500	3.3
109.10140	5.7
111.08053	10.3
113.06008	1.5
115.05447	1.6
117.07008	11.0
119.08589	4.2
121.06482	1.5
121.10130	16.8
123.08044	1.4
123.11694	4.7
131.08556	12.3
133.10132	16.9
135.07986	1.9
135.11662	14.1
147.11664	2.0
149.13245	42.6
151.11162	2.1
157.10156	2.6
159.11681	30.0
161.13225	4.3
167.14310	1.5
171.11662	1.3
177.12726	13.9
179.14368	2.2
195.13788	12.6
199.14731	1.6
205.43196	1.3
213.14792	1.7
213.16556	1.3
269.17456	68.8
269.22559	5.8
270.17743	1.6
280.01132	1.4
286.93237	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1745
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	4.4
55.01856	2.3
55.05505	20.2
57.03158	2.2
57.03432	36.2
57.07065	5.0
57.20770	1.6
65.03940	2.2
67.05499	77.6
69.07062	30.1
69.10162	1.2
69.98417	7.5
71.04989	7.3
73.02894	1.5
78.24924	1.4
79.05486	44.1
79.26590	1.3
81.07048	100.0
83.04982	10.0
83.08608	18.5
85.06536	6.3
91.05468	21.7
93.07037	73.3
95.04967	8.3
95.08599	29.2
97.06509	16.4
97.10136	3.6
99.08090	3.0
105.07050	7.6
107.08587	39.9
109.06496	4.3
109.10195	1.8
109.66896	1.2
111.08072	10.2
113.06006	2.1
113.09697	1.3
117.07015	9.4
119.08607	2.2
121.10127	21.0
123.11694	2.3
131.08572	11.6
133.10127	10.9
135.08084	2.8
135.11673	10.2
139.11157	3.1
142.07762	1.3
147.11778	1.8
149.13245	50.0
157.10054	2.3
159.11685	20.1
177.12735	9.4
195.13776	12.1
202.84840	1.3
215.97859	1.5
269.17453	42.7
269.22522	3.4
276.60428	1.7
279.45416	1.4
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
50.62695	1.2
53.03925	4.4
55.01843	3.6
55.05281	1.6
55.05508	23.5
57.03428	34.8
57.07056	4.5
58.18531	1.1
67.05496	81.8
69.03392	1.4
69.07059	37.4
70.10748	4.4
71.04982	6.2
71.08604	1.5
79.05486	48.7
81.03362	2.1
81.07047	100.0
82.07340	1.6
83.04981	10.2
83.08614	20.7
85.06528	6.7
91.04929	1.7
91.05466	27.2
91.51057	1.2
93.07034	81.7
94.07322	1.7
95.04956	6.1
95.08594	25.5
97.06529	15.4
97.10150	3.4
98.21359	1.6
99.08058	4.7
103.62771	1.1
105.07024	12.8
107.08581	41.2
109.06480	3.6
109.10133	8.1
111.08079	8.7
113.09640	1.4
117.07019	12.0
119.08547	3.6
121.06511	2.1
121.10130	20.7
123.11694	3.1
131.08562	11.6
133.09334	1.2
133.10139	10.6
135.11674	11.9
139.11172	1.3
145.10027	1.9
147.11636	1.4
149.13242	42.9
157.10085	2.0
159.11679	23.1
177.12694	10.0
181.08150	1.3
195.13789	11.7
233.31505	1.3
234.82796	1.3
244.77275	1.2
269.17432	43.3
269.22473	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	269.1745
Annotation	Arteincultone
Peak:m/z	Relative Intensity
53.03948	4.7
55.01852	3.6
55.05503	19.0
57.01741	2.3
57.03434	36.3
57.07067	6.1
62.55221	1.9
67.05497	77.9
69.07063	31.2
70.16886	8.5
71.04986	6.4
71.08633	2.8
79.05482	46.9
81.07047	100.0
83.04961	11.2
83.08610	23.8
84.08138	2.6
85.06531	5.4
91.05474	19.3
93.07037	70.5
95.04967	9.5
95.08589	31.3
97.06513	15.4
98.20858	5.0
99.08064	4.9
103.55968	2.1
105.07030	9.5
107.04953	2.2
107.08582	36.6
109.10145	6.2
110.07162	2.4
111.08083	9.7
113.05914	2.1
116.98467	4.1
117.07004	8.1
119.08589	5.4
121.10139	28.7
123.11693	3.2
131.00052	3.6
131.08531	10.7
133.10103	11.0
135.11670	10.4
136.06190	4.3
139.11177	3.9
147.11674	4.8
149.13235	51.4
159.11668	19.1
171.11650	2.9
174.99043	2.6
177.12761	6.9
187.10776	2.2
195.13806	10.0
246.05014	3.5
251.20027	2.3
269.17404	34.4
269.22684	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	269.1745
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	4.5
55.01857	3.0
55.05505	24.4
56.05812	1.1
57.03163	2.5
57.03428	32.7
57.07054	4.1
59.20217	1.1
65.03918	2.7
67.05498	80.6
69.03449	1.3
69.07059	29.2
69.81623	8.0
71.04972	5.5
79.05486	46.8
81.03411	1.5
81.07047	100.0
83.04972	10.2
83.08617	19.5
85.06533	7.1
87.76447	1.2
91.04914	2.3
91.05467	31.3
93.07032	70.0
95.04956	7.3
95.08602	25.5
97.06522	16.9
97.10170	3.2
98.21464	1.2
99.08090	5.3
105.07021	13.5
107.08582	35.3
109.06516	2.4
109.10133	5.5
111.08086	10.0
113.09650	1.7
117.07008	10.6
119.08535	4.2
121.06501	1.9
121.10135	22.0
123.11733	3.2
125.09583	1.4
131.08575	14.5
133.10112	11.7
135.08009	2.0
135.11661	11.1
139.11128	1.4
147.11668	2.2
149.13242	43.0
159.11673	25.5
161.13232	1.7
167.03345	5.6
167.14362	1.5
177.12729	10.6
181.47862	1.2
195.13741	10.8
209.04472	2.2
234.60387	1.4
259.72470	1.2
269.08069	7.1
269.17465	43.0
269.22583	4.9
270.17667	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1742
Annotation	Arteincultone
Peak:m/z	Relative Intensity
53.03913	4.1
55.01838	3.5
55.05504	20.5
57.03430	36.0
57.07039	5.6
65.03899	3.6
67.05498	81.3
69.03423	1.4
69.07063	29.8
70.06568	2.3
71.01301	1.5
71.04971	7.4
71.08601	2.0
71.50220	2.8
79.05486	49.4
81.03370	2.7
81.07046	100.0
82.07368	1.7
83.04961	9.3
83.08606	19.1
84.08096	2.0
85.06491	5.7
91.04943	1.4
91.05467	22.9
93.07034	74.7
95.04961	8.3
95.08594	26.4
97.06517	18.4
97.10121	1.5
99.08046	5.9
105.07017	10.5
107.08578	39.8
109.06448	4.0
109.10121	6.2
110.07129	2.1
111.08078	10.9
113.62166	1.8
117.06995	10.5
119.08485	4.2
121.06416	3.1
121.10137	24.7
123.11670	2.8
131.08546	11.2
133.10103	11.5
135.11681	12.1
136.06107	1.7
139.11136	1.7
143.08493	1.9
145.10010	2.7
147.11600	2.7
149.09523	2.2
149.13243	52.1
157.10011	2.1
159.11685	24.3
160.88783	1.3
161.13162	1.8
167.14357	1.4
177.12730	9.6
179.08470	1.4
181.06363	1.5
183.06294	1.7
185.13206	2.3
195.13791	11.6
213.12704	1.6
213.14702	1.7
251.19919	1.9
269.07898	2.1
269.11530	1.4
269.17313	44.5
269.22437	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	269.1743
Annotation	Helibisabonol A
Peak:m/z	Relative Intensity
50.33502	2.7
51.06221	2.8
53.03938	5.4
54.02079	2.9
54.04519	2.7
55.05508	17.7
57.03437	8.6
57.07063	6.8
65.03898	3.6
67.05486	36.6
69.03427	41.4
69.07064	15.8
70.04974	6.1
70.05385	13.9
70.06585	11.8
71.04987	62.4
72.08148	8.8
73.06577	3.5
74.06065	4.2
78.99691	2.9
79.05479	18.5
81.03407	3.9
81.07049	44.8
83.04975	11.8
83.08616	3.8
84.04522	3.5
84.08151	6.6
85.06547	9.1
86.09698	6.6
91.05476	14.1
93.07028	25.9
95.04978	16.1
95.08603	37.6
97.06525	18.7
97.49168	3.6
97.79082	2.9
99.04458	6.3
99.08078	26.8
105.07023	32.4
107.04955	5.9
107.08588	32.3
109.02860	12.5
109.06499	13.2
109.09421	5.3
109.10144	70.6
110.07188	3.3
111.08153	3.4
113.05989	24.9
117.07056	4.7
119.08575	39.9
120.08082	9.1
121.06516	6.6
121.10130	27.8
122.05993	3.1
123.04440	4.0
123.08057	82.3
123.11760	8.0
125.05951	6.6
125.09610	7.9
127.11179	50.7
131.08553	14.2
131.66463	2.8
133.10100	28.8
135.08029	9.2
135.11690	6.4
137.05910	4.0
137.09602	62.6
139.05003	6.7
139.11154	4.0
141.05450	13.3
143.07037	8.7
145.10080	21.9
147.08035	13.3
147.11650	9.1
149.09607	8.3
151.11179	8.2
152.05592	24.4
153.04128	4.5
153.05948	13.7
153.09070	18.7
155.10640	21.2
156.89061	3.0
157.08588	3.6
158.10748	3.4
159.08008	5.3
159.11679	3.7
161.09576	23.8
163.11139	14.7
163.14743	5.5
165.09064	20.9
167.10704	6.1
173.09644	3.1
173.13194	17.2
177.16336	5.2
179.10622	6.5
183.06558	10.3
183.10150	100.0
183.11722	6.0
187.14772	12.5
189.16290	4.5
191.14273	26.7
195.10297	4.6
197.11696	13.4
197.13278	5.1
205.15900	14.4
209.15364	7.6
212.09177	3.4
215.14343	10.5
218.82707	3.9
223.14406	4.6
233.15315	51.4
241.17851	4.5
251.16389	39.5
269.08875	3.8
269.14487	9.3
269.17508	39.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.0807
Annotation	7-HYDROXY-2'-METHOXYISOFLAVONE
Peak:m/z	Relative Intensity
55.05492	1.3
57.03426	1.3
57.07081	0.9
67.05502	2.9
69.07054	1.4
71.09779	1.1
79.05477	2.0
81.03364	0.7
81.07056	4.8
83.04967	0.7
83.08602	1.3
84.30952	0.6
87.26605	0.5
91.05473	1.1
93.07034	2.8
95.08601	1.9
97.06516	1.0
97.74273	0.6
105.07015	1.1
107.04948	2.7
107.08579	1.4
118.04144	5.4
119.08578	0.7
121.10207	0.7
133.06474	0.9
133.10057	1.1
137.02307	2.2
149.13242	1.7
154.02571	3.6
156.05699	1.3
159.11720	0.9
170.07259	1.9
170.60158	0.6
181.06483	1.9
182.07295	1.3
183.06432	0.8
184.05202	0.7
197.05952	5.3
198.06772	2.4
213.09082	10.3
225.05490	2.6
226.06216	6.4
237.05481	8.2
253.04901	8.0
254.05728	10.3
269.08069	100.0
270.08340	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1745
Annotation	Arteincultone
Peak:m/z	Relative Intensity
53.03923	3.9
55.01861	2.6
55.05502	22.7
57.03430	28.7
57.07050	3.2
58.95215	1.3
65.03910	3.5
67.05499	78.6
69.07059	29.0
70.64372	2.9
70.64726	3.9
71.04989	7.1
79.05484	43.2
81.03417	3.0
81.07047	100.0
82.71305	1.3
83.04964	11.0
83.08615	18.8
85.06519	6.5
91.04925	2.0
91.05466	26.2
93.07034	64.8
95.04951	5.4
95.08591	29.2
97.06532	15.8
97.10149	3.9
99.08062	5.2
105.07034	10.6
107.07921	2.3
107.08585	36.7
109.06477	3.7
109.10126	5.2
111.08087	8.2
114.05597	1.5
117.06999	12.9
119.08549	4.8
121.06535	1.8
121.10126	20.1
123.11694	3.4
125.09634	1.6
129.06981	1.6
131.08554	14.8
133.10109	11.4
135.08012	1.7
135.11694	13.2
139.11172	1.7
147.11627	2.5
148.17307	1.9
149.12122	2.8
149.13248	40.7
155.08568	1.6
157.10057	1.9
159.11674	24.9
167.14319	2.8
171.11790	1.4
177.12697	11.0
195.13791	11.6
196.66209	1.5
199.95380	1.4
241.13280	1.6
269.14764	2.4
269.17453	45.2
269.22525	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	268.9457
Annotation	Unknow
Peak:m/z	Relative Intensity
58.73331	2.1
58.89053	2.4
61.98335	1.9
62.74337	2.3
70.78889	7.1
81.78487	2.0
85.69885	2.0
94.93012	3.5
95.65475	2.0
110.07142	11.2
134.96092	13.3
136.06172	100.0
137.06645	36.0
141.03833	2.1
142.61092	2.6
144.21407	2.3
151.78732	2.0
156.07713	5.2
161.42180	2.3
164.93491	12.2
178.95044	7.8
188.93535	3.3
211.70403	2.3
250.93533	3.5
268.94623	22.6
269.10773	5.3
269.16238	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	268.9459
Annotation	Unknow
Peak:m/z	Relative Intensity
59.28352	8.7
64.36835	9.4
66.30511	9.2
70.24371	47.7
94.92995	14.8
134.96086	52.1
155.06572	9.9
158.61603	13.6
164.93478	57.4
169.88103	12.0
178.94994	23.4
250.93599	16.5
263.02713	8.9
265.66788	10.5
268.16611	20.3
268.94595	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	268.1905
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71357	0.3
54.13160	0.4
55.01845	1.2
55.05490	1.3
56.05016	0.9
56.59188	0.4
57.03424	0.5
69.07049	1.6
69.66771	3.4
70.06562	0.6
72.04512	1.8
72.08128	0.6
73.02893	1.8
74.06064	0.5
79.05466	2.0
81.03400	0.9
81.07041	2.1
82.06555	0.4
83.08609	0.5
84.08136	0.6
91.05448	1.1
93.07027	3.3
94.06534	1.7
95.04940	0.8
95.08585	1.2
96.08034	0.4
100.03970	0.4
102.05517	0.7
105.07004	0.8
107.08569	2.0
108.08104	11.1
109.08938	0.7
109.10165	0.5
110.09654	1.1
120.08064	0.4
121.10091	0.6
122.09642	9.1
123.10400	1.3
124.11195	1.0
134.09633	0.5
135.11650	1.9
136.06175	3.3
136.11215	3.7
137.13240	0.7
140.07065	0.5
148.11079	0.4
150.12758	19.3
151.13551	8.8
152.07059	2.8
152.14241	0.4
157.91342	0.4
166.08652	0.5
167.03441	0.5
168.10132	0.7
170.08099	1.2
170.11740	0.8
178.15918	3.8
180.10211	1.3
182.11740	0.8
194.11700	3.3
195.12498	0.6
222.14882	1.3
224.16422	100.0
225.16725	2.0
226.17967	3.4
268.06918	2.0
268.19040	49.9
269.04434	1.0
269.19376	1.2
277.58426	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	268.1038
Annotation	Adenosine
Peak:m/z	Relative Intensity
57.03433	0.5
71.10851	0.2
71.11156	0.3
94.04031	0.4
119.03521	0.7
132.92198	0.2
136.06171	100.0
137.04570	0.4
137.06496	0.8
143.23820	0.2
268.07559	0.3
268.10345	2.8
271.38806	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	268.1401
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24688	0.2
55.05498	0.7
57.03428	0.7
59.04982	0.2
64.82077	0.2
65.74877	0.2
70.06581	0.8
71.72436	0.3
72.08173	1.1
72.40718	0.2
79.05486	1.3
79.89812	0.2
81.07053	3.6
84.08138	0.7
85.02909	0.4
86.09673	0.4
87.04453	0.2
89.03873	0.3
91.05439	0.3
93.07021	0.2
98.97552	0.3
107.04948	0.3
109.05114	0.9
109.10136	0.2
109.39369	0.2
110.02803	0.4
110.03512	3.4
110.07108	0.2
111.52239	0.2
116.04973	2.2
117.86753	0.2
120.08062	0.6
128.04552	2.2
128.44292	0.2
129.10304	0.3
134.04633	0.4
135.03021	4.3
136.06171	8.6
138.12755	0.4
152.05659	100.0
153.04066	11.3
153.05138	0.2
153.06020	0.7
154.02371	0.2
191.03845	0.3
196.29912	0.2
224.16431	1.1
237.02814	0.4
241.38737	0.2
250.12918	2.1
261.02905	0.2
268.14014	18.5
268.18945	1.0
269.14334	0.3
279.03867	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	268.1904
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	1.0
55.05502	1.7
56.05023	0.6
56.16795	0.3
57.03418	0.5
59.16140	0.4
69.07044	1.0
70.06562	1.3
70.80092	1.1
71.04977	0.7
72.04518	2.4
72.08129	1.9
73.02895	1.5
73.08498	0.6
79.05484	1.6
81.03417	0.5
81.07059	2.4
81.07462	0.4
82.06557	0.7
83.08603	0.6
83.24113	0.3
84.08134	0.8
91.05467	1.1
93.05798	0.3
93.07035	3.4
94.06543	1.1
95.04970	0.4
95.08585	1.6
96.08108	0.9
96.08907	0.4
98.09702	0.4
100.03959	0.7
102.05530	0.9
105.06999	0.8
107.08566	2.2
108.08109	11.1
109.08893	0.8
109.10140	0.9
110.09670	1.2
119.08608	0.5
120.08076	0.7
121.10106	0.4
122.09644	9.2
123.10445	1.4
124.11185	1.4
128.07120	0.5
131.08554	0.5
133.10033	0.3
135.11691	2.4
136.06168	4.2
136.11183	3.9
137.13181	0.5
140.07045	0.5
150.12761	17.8
151.13548	8.1
152.07045	1.0
152.14334	0.4
153.15207	0.3
156.10254	0.9
166.08612	0.6
168.10188	0.4
168.33110	0.4
170.11732	1.5
178.15862	4.7
179.14290	0.4
180.10175	1.3
182.11752	1.2
194.11729	3.5
195.12520	0.9
196.13245	0.3
213.52859	0.3
222.14888	1.7
224.16428	100.0
225.10172	0.5
225.16733	2.1
226.17975	3.9
230.44096	0.4
237.78316	0.4
268.19046	50.9
269.09155	0.4
269.19324	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	268.0811
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79557	0.7
54.76744	0.7
56.05014	0.8
58.09450	0.8
67.05498	0.9
69.58279	5.9
70.06570	1.5
71.33083	0.9
72.08144	0.9
79.73240	0.9
84.08128	2.7
86.02415	2.4
86.09698	1.4
87.00807	4.1
91.05467	21.9
93.07015	0.9
98.21524	1.1
103.05431	1.4
104.03451	100.0
106.06503	0.9
107.04914	2.0
108.05287	1.1
118.06530	2.4
119.04931	31.0
120.08108	3.9
123.04400	1.7
129.10211	2.0
134.06017	7.8
136.06175	23.3
136.07558	53.5
137.05951	1.3
144.04425	0.9
146.05991	2.4
147.04405	4.9
149.62909	0.9
152.05739	0.8
161.05956	1.3
162.05481	18.8
164.07060	8.8
165.05461	2.2
182.08101	2.0
204.06573	10.6
208.06006	2.5
210.13705	0.8
222.07587	39.4
232.06088	2.1
250.07024	3.3
256.56219	0.8
268.07880	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	268.1037
Annotation	Adenosine
Peak:m/z	Relative Intensity
55.01859	0.4
57.03416	0.5
69.03416	0.4
69.09010	0.2
69.80685	1.0
73.02927	0.3
85.02859	0.4
94.04047	0.4
97.59785	0.2
115.03889	0.4
119.03529	0.6
120.98396	0.2
133.04935	0.2
136.06169	100.0
137.04559	0.4
137.06506	0.6
192.35606	0.2
202.91902	0.2
268.10403	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	267.268
Annotation	(9Z,12Z)-Octadeca-9,12-dien-1-ol
Peak:m/z	Relative Intensity
53.00291	1.3
53.03929	2.1
55.05507	29.3
57.03420	2.1
57.07070	100.0
65.03932	1.8
67.05500	57.2
69.07063	33.7
69.77123	5.5
71.04978	1.3
71.08626	65.1
79.05482	7.3
81.03403	7.8
81.07050	69.4
82.07365	1.3
83.04965	1.1
83.08614	31.5
85.06540	5.1
85.09672	1.7
85.10174	32.0
91.05457	2.3
93.07024	3.7
95.04958	2.1
95.08598	92.5
97.10162	26.3
98.98454	1.3
99.08074	3.2
99.11758	1.5
104.21262	0.8
105.07004	2.8
107.08604	1.0
109.10143	33.3
111.11714	9.7
112.63317	0.8
116.95683	0.9
119.08569	1.7
121.10130	1.9
123.07989	1.1
123.11697	12.0
131.08514	0.9
136.06160	9.8
137.13240	4.7
140.11621	0.9
142.07825	0.9
147.11652	1.8
151.14825	1.0
157.10028	1.2
174.90739	0.8
193.12123	1.6
211.14899	1.3
267.15918	4.3
267.20990	1.3
267.26685	2.1
278.71063	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	268.0813
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02954	5.2
60.04040	0.2
65.03928	1.3
68.25629	0.3
68.99791	1.4
69.51395	0.8
69.51816	1.9
70.06590	0.4
71.01350	0.3
74.51628	0.3
79.05473	1.5
84.08133	0.3
86.02445	0.6
87.00410	0.2
87.00817	7.3
91.05472	74.1
92.05811	0.6
100.38869	0.3
103.05453	4.5
105.01875	1.4
107.04956	1.5
115.05464	0.7
117.06989	1.8
118.06531	9.7
119.07313	12.8
120.08098	0.9
129.10254	0.3
131.04916	2.4
132.08078	0.5
136.07562	100.0
137.07910	1.0
146.05989	0.6
149.05956	0.7
160.07529	0.4
161.76254	0.3
164.07108	0.4
182.08118	10.7
204.06546	12.7
205.07056	0.4
222.07578	4.3
250.07108	1.1
255.54581	0.3
268.08005	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1954
Annotation	Juvenile hormone II acid
Peak:m/z	Relative Intensity
52.68862	1.3
53.03929	4.3
55.01868	2.3
55.05503	14.7
57.03434	7.7
57.07048	1.7
59.05000	1.4
64.44627	1.2
65.03938	2.5
67.05500	100.0
68.04987	1.3
69.03426	9.9
69.07065	11.9
70.06578	4.5
70.77655	1.4
71.04996	3.2
71.75717	1.7
71.76211	1.7
72.08115	1.6
75.93018	1.4
79.05482	24.0
81.03413	30.1
81.07049	96.6
83.04977	7.5
83.08607	13.6
84.08128	4.6
85.06516	1.6
87.04458	19.0
91.05487	21.8
93.07040	16.7
95.04951	10.7
95.08599	77.0
96.09023	1.8
97.06509	6.4
97.10178	3.5
101.06015	10.9
105.07014	14.1
106.06570	3.8
107.04973	2.4
107.08586	11.0
109.06506	4.1
109.09402	2.3
109.10152	47.4
111.08056	4.1
115.03897	10.8
115.07537	1.5
119.08559	18.9
120.08127	1.7
120.36755	1.3
121.06405	1.5
121.10130	15.2
123.08063	1.8
123.11693	23.9
125.09623	2.6
129.05508	4.1
129.10281	2.1
131.08566	2.4
133.10107	12.0
135.08025	1.7
135.11655	4.8
136.06180	14.8
137.09610	3.2
137.13240	8.1
139.11102	1.7
141.05489	2.8
143.08563	2.0
143.10698	1.6
145.10062	2.3
147.08055	2.0
147.11687	9.9
149.13223	2.7
157.10132	2.5
161.09570	2.6
161.13239	2.8
164.05319	1.4
164.06985	1.7
165.12688	2.0
169.08575	1.7
175.11159	2.7
177.16321	4.0
193.12238	5.9
197.11699	2.6
202.89195	1.5
203.17946	11.7
211.13316	2.4
221.19061	3.3
224.05226	1.8
224.08278	3.3
235.07713	2.4
249.14857	2.0
249.18472	2.9
252.07941	2.3
267.06482	5.5
267.10129	5.2
267.15945	10.7
267.19553	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	267.1952
Annotation	Juvenile hormone II acid
Peak:m/z	Relative Intensity
53.03938	4.6
55.01873	10.4
55.05507	65.5
57.03425	9.3
57.07056	4.0
67.05501	31.4
69.03418	2.9
69.07059	15.5
70.06567	2.3
71.04992	4.0
71.75185	2.4
72.08145	15.0
73.09618	1.9
79.05477	22.6
79.96441	1.5
81.03406	31.9
81.07047	27.5
83.04987	8.1
83.08615	100.0
84.08105	2.5
85.06512	2.3
91.05474	41.3
92.11632	1.6
93.07036	30.0
95.04955	12.7
95.08597	33.8
97.06509	5.4
99.08082	1.7
102.94888	1.6
105.07026	18.0
107.04929	4.4
107.08584	10.0
109.06517	4.1
109.10151	9.6
109.10780	1.7
111.08081	28.9
114.24131	1.9
117.06966	3.9
119.08574	41.5
121.06534	1.8
121.10134	27.8
123.08075	15.5
123.11685	4.8
129.06969	5.8
129.09073	4.8
131.08545	7.1
133.10176	10.8
135.11639	1.9
136.06166	8.9
137.09607	26.7
139.11156	15.0
145.10043	3.1
147.08035	8.3
147.11694	12.7
149.09578	3.1
151.11136	5.8
152.14311	4.7
157.10100	6.8
159.11626	2.3
163.11159	2.3
165.09090	4.2
165.12718	10.1
173.52237	1.9
175.11153	5.7
175.14899	1.7
193.12206	7.9
196.16949	4.9
213.16350	3.9
231.17404	3.4
245.04712	4.2
249.18513	24.1
267.15857	22.8
267.19250	11.3
267.24246	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	267.1588
Annotation	Curvularol
Peak:m/z	Relative Intensity
51.01317	0.8
53.03917	2.5
55.01846	3.6
55.05500	13.8
56.96569	1.1
57.03432	7.9
57.07048	1.6
65.03915	1.4
65.47921	0.8
67.05495	42.8
69.03422	1.3
69.06705	0.9
69.07056	17.1
70.63373	1.6
71.04975	3.9
72.08152	5.8
74.08467	0.9
79.05483	27.8
79.20666	0.9
81.03399	7.8
81.07045	100.0
83.04968	9.2
83.08604	8.4
84.08136	0.9
85.06519	5.0
87.04459	1.0
91.05469	31.6
93.07027	16.3
95.04945	5.5
95.08592	29.0
97.06515	9.0
99.08080	5.5
101.05984	2.1
103.05406	0.8
105.07014	38.1
107.04895	1.2
107.08578	13.9
107.73788	0.8
109.06493	5.9
109.10126	3.3
111.08057	2.7
115.05450	1.2
119.08564	31.7
121.06423	1.2
121.09270	1.2
121.10129	20.6
123.08094	4.2
123.11687	24.6
127.07524	3.1
129.07019	4.0
131.08522	2.9
133.06512	0.9
133.10097	6.4
136.06175	1.6
137.13266	1.4
142.07802	1.3
145.10110	2.2
147.11667	55.8
149.09570	1.2
151.11134	1.1
152.14362	1.5
157.10057	3.8
165.12738	24.2
169.10086	1.7
171.11649	1.0
175.11139	3.3
183.13826	1.0
191.10545	0.8
193.12169	2.2
196.16951	2.0
197.13237	2.0
211.14786	2.4
215.36340	0.8
220.06386	0.8
225.16322	1.0
229.14172	1.4
267.15872	87.1
267.20898	2.7
268.16248	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1587
Annotation	[4]-Isogingerol
Peak:m/z	Relative Intensity
55.01849	7.4
55.05500	6.2
55.61458	3.0
55.95807	3.2
67.05505	8.6
69.07057	6.6
71.04958	3.4
71.75285	4.0
71.92912	3.0
79.05490	12.8
81.03413	5.1
81.07053	38.4
81.99828	3.4
83.08607	3.1
85.06528	4.3
91.05464	9.1
91.27116	3.0
95.04961	4.4
95.08592	13.2
98.98504	3.8
100.58626	3.3
105.07005	7.4
107.08584	16.6
109.06517	12.4
111.04436	9.0
119.08539	6.9
123.08064	3.8
125.06023	4.4
133.10190	3.5
136.06198	13.1
137.05962	100.0
175.14842	4.6
185.13326	5.0
203.14345	8.9
213.12802	6.1
231.13797	4.6
241.07500	3.6
249.14899	22.0
267.08630	4.0
267.13538	3.4
267.15833	16.6
267.19577	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	267.1588
Annotation	Grangolide
Peak:m/z	Relative Intensity
53.03931	3.8
55.01864	4.6
55.05505	12.6
57.03167	1.3
57.03435	25.1
57.07063	1.6
58.06591	0.9
59.04982	1.4
65.03930	1.9
67.05500	30.4
69.03428	5.1
69.07059	6.7
70.06561	1.5
70.09120	4.0
71.04982	4.3
72.08145	3.2
74.72240	0.9
79.05489	20.5
81.03411	100.0
81.07051	36.4
83.04975	9.4
83.08170	1.2
83.08612	15.5
84.08117	2.1
84.29269	0.9
85.02885	1.7
85.06525	2.4
87.04446	2.8
91.04926	1.6
91.05473	27.2
93.07040	15.3
95.04958	26.9
95.05402	0.5
95.08595	19.8
96.78433	0.8
97.02880	2.5
97.06519	4.6
97.10152	2.7
98.20789	1.6
99.08057	1.8
101.05971	1.1
103.05450	1.5
105.03362	2.4
105.07020	22.7
107.04932	5.6
107.08585	9.1
109.02872	2.5
109.06537	6.3
109.10145	9.5
111.04426	2.7
111.08089	6.9
113.05913	1.1
115.03909	1.2
115.05437	1.6
117.07003	2.6
119.08569	17.5
120.08083	1.0
121.06505	3.6
121.10133	9.9
123.08050	3.3
123.11670	4.3
125.09584	1.5
129.05525	0.9
129.06978	10.4
131.08565	10.0
133.06461	3.3
133.10112	10.6
135.08040	2.6
135.11679	2.0
136.06160	3.7
137.05943	1.6
137.09637	3.3
137.13242	1.3
141.01796	2.2
142.07742	2.3
143.08492	1.0
145.10110	3.4
147.08020	3.3
147.11679	15.8
149.09644	6.9
149.13271	1.4
151.11234	1.3
153.05399	1.6
155.08583	1.5
157.10107	11.3
159.11635	1.8
161.09573	1.2
163.11130	2.1
165.01808	8.1
165.12714	3.2
169.10083	1.5
173.13141	1.3
175.11179	12.0
175.14845	1.0
183.02917	5.8
183.11649	2.1
185.13173	0.9
192.99774	0.8
193.08534	2.8
193.12222	21.3
193.94458	0.9
196.16974	1.2
197.13222	1.3
197.57254	1.0
203.17969	2.1
205.12213	1.4
207.13770	1.1
211.13264	2.2
211.15016	1.5
221.04189	0.9
224.16371	3.1
231.13780	1.3
237.03864	1.3
249.14850	5.0
249.18637	1.3
260.31912	1.2
267.06491	33.2
267.15891	51.9
267.20703	4.0
268.06796	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1588
Annotation	Grangolide
Peak:m/z	Relative Intensity
53.03947	4.6
53.04160	1.0
55.01848	2.7
55.05499	10.2
57.03433	22.6
65.03901	1.3
66.39139	0.8
67.05498	25.6
69.03413	2.6
69.07066	6.2
69.74908	6.5
70.06562	1.3
71.01330	0.9
71.04970	3.4
72.08134	2.9
77.03905	0.9
79.05483	16.6
81.03407	100.0
81.07047	25.8
83.04962	6.9
83.08170	1.1
83.08614	15.7
84.04472	1.1
84.08113	1.8
85.02895	0.9
85.06520	2.3
87.04431	1.3
90.06699	0.8
91.04926	1.6
91.05467	24.0
93.07036	12.2
95.04955	23.5
95.08595	13.8
97.02879	2.1
97.06506	3.2
97.10139	1.4
98.20678	1.2
98.97570	1.0
98.98466	1.1
99.04443	1.0
103.03931	1.4
103.05466	1.4
105.03384	1.2
105.07018	18.6
107.04935	4.9
107.08585	8.2
109.02838	1.2
109.06541	4.3
109.10126	5.4
111.04436	1.5
111.08062	7.1
115.05433	1.0
117.06990	1.3
119.08566	15.2
120.08076	1.7
121.06495	2.5
121.10136	9.1
123.08023	2.6
123.11732	4.2
125.02415	0.8
125.09592	1.7
128.06105	1.0
129.05455	1.3
129.06998	10.0
131.08560	8.8
131.87000	0.9
133.06456	3.7
133.10089	6.6
135.08008	1.7
135.11671	1.6
136.06174	2.9
137.06009	1.0
137.09572	2.2
141.01758	1.4
142.07719	2.3
143.08444	1.1
145.10101	2.2
147.08000	2.8
147.11670	11.3
149.09590	6.4
151.11124	1.1
157.10123	10.6
159.11546	1.2
160.99635	0.8
163.11209	1.7
165.01842	2.0
165.12729	4.4
175.11148	9.5
183.02863	1.6
185.13295	0.9
188.03400	0.8
193.08492	1.0
193.12227	18.1
197.69241	0.9
203.14311	1.5
203.17934	1.3
211.13138	2.2
211.14911	1.4
224.16359	2.8
231.13873	0.9
249.14789	3.0
249.18454	1.6
267.06470	9.9
267.15872	46.1
267.20560	5.2
287.55936	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1014
Annotation	Microperfuranone
Peak:m/z	Relative Intensity
51.19854	0.2
65.03934	2.4
67.05490	0.3
71.38895	0.3
71.75518	0.2
73.91528	0.2
81.03423	0.3
81.07041	0.4
89.09290	0.2
91.05471	100.0
92.05803	0.5
95.04914	0.3
95.08617	0.3
97.89446	0.2
98.20987	0.2
98.98458	0.7
103.05450	1.4
105.03381	1.8
105.07040	0.4
107.04896	0.5
115.05437	1.1
131.04921	2.2
132.08119	0.3
136.06171	0.6
141.06970	1.0
149.06026	0.3
153.06979	0.8
155.08568	0.2
159.04388	1.1
165.06979	3.9
166.07764	4.6
167.08519	0.9
178.07774	2.2
179.08548	3.1
181.06468	0.9
181.10072	2.5
189.05458	5.5
189.06999	0.6
190.07712	0.9
191.08572	3.0
192.09134	0.3
193.10118	0.3
194.07233	2.4
195.08034	0.5
196.08850	0.4
200.05818	0.2
206.07259	0.3
207.08025	0.8
208.08739	0.4
209.06033	0.3
209.09586	2.5
211.11174	1.0
213.09129	0.3
219.08000	0.9
222.06830	0.3
224.08310	0.8
235.07504	0.3
237.09074	3.5
239.10674	3.7
249.09180	1.2
267.10132	26.5
268.10522	0.7
285.11157	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.1609
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17853	0.2
52.40110	0.2
52.66666	0.3
55.05502	0.6
57.03427	0.5
57.95418	0.2
59.04993	0.9
61.02929	1.3
67.05498	0.4
71.04987	2.0
71.23166	0.5
79.05476	0.8
81.03413	0.3
81.07053	3.3
84.08115	0.4
91.05478	0.3
94.04057	1.1
95.08617	0.3
112.20825	0.3
113.09640	0.4
116.03293	0.2
119.03528	2.4
121.10078	0.3
132.93132	0.2
136.06171	100.0
137.04602	1.8
137.06583	0.4
150.07722	0.6
161.49953	0.2
178.06181	0.3
187.96306	0.3
215.10609	0.2
234.13480	18.9
235.13710	0.3
235.40858	0.2
266.16074	44.7
267.16367	0.9
271.60822	0.2
287.01849	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.0646
Annotation	Aristolide B
Peak:m/z	Relative Intensity
51.02364	0.2
53.03931	0.4
55.01603	0.2
55.01865	4.0
55.05512	0.8
55.34225	0.1
56.96554	0.3
57.03416	0.4
57.07039	0.1
59.04972	0.4
64.32367	0.1
65.03945	0.2
67.05495	2.2
68.99779	1.5
69.03423	0.7
69.07046	0.6
70.06561	0.3
70.77528	0.1
71.04970	0.3
71.75346	0.3
72.08144	1.3
79.01828	0.5
79.05477	1.1
81.03412	1.8
81.06604	0.2
81.07047	3.1
83.04970	0.4
83.08591	0.6
84.08131	0.3
85.06523	0.2
87.04444	0.3
91.05458	1.2
92.99751	0.5
93.07038	1.0
95.04965	0.9
95.08590	1.6
97.02867	0.9
97.06500	0.2
97.10139	0.2
99.00771	0.7
103.05424	0.7
105.03374	4.4
105.07014	1.7
107.04914	0.2
107.08597	0.7
109.02840	0.4
109.06495	0.4
109.10158	1.0
111.04432	0.2
111.08071	0.2
117.06948	0.2
119.08575	0.9
121.02811	0.1
121.06478	0.4
121.10104	0.8
123.00769	0.7
123.08047	0.3
123.11692	0.6
129.06946	0.3
131.08537	0.4
133.06458	0.2
133.10123	0.6
135.11670	0.2
136.06160	0.3
137.02327	2.7
137.09584	0.3
141.01807	11.3
141.06964	0.2
145.10086	0.4
147.07991	0.1
147.11655	1.0
152.14307	0.5
155.03360	0.4
157.10085	0.4
159.11736	0.2
163.11186	0.3
165.01808	28.1
165.12767	0.5
166.02209	0.4
169.10159	0.2
173.13196	0.2
175.11139	0.2
183.02866	23.0
183.11676	0.2
184.03218	0.3
193.12219	0.3
196.12315	0.2
196.16914	0.4
197.13272	0.2
203.18054	0.1
205.12115	0.2
213.05446	0.3
239.07065	0.7
249.18643	0.2
267.06476	100.0
267.15656	1.7
268.06888	2.9
285.10110	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.102
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99564	0.5
64.63750	0.4
68.99783	0.5
70.02944	0.9
70.06590	0.8
71.62008	0.3
79.05490	0.9
84.08125	1.2
87.00819	2.1
91.05471	1.5
93.07030	1.4
103.05450	7.1
106.06542	4.0
106.07214	0.6
116.01662	0.9
118.06528	10.7
120.08089	100.0
121.01085	1.0
121.06454	1.5
121.08405	1.0
128.04953	0.8
130.06537	0.8
146.05989	14.6
164.05304	2.2
164.07002	1.9
180.10184	2.2
188.07048	16.7
206.08104	64.3
207.08380	0.9
216.06584	0.4
220.09669	1.4
234.07591	0.9
266.09818	0.7
267.07870	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.1592
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.3
57.03421	1.1
58.06603	0.3
59.04987	0.2
59.07388	0.2
60.08157	6.1
61.02924	1.1
69.03055	0.2
69.03422	3.5
70.06584	0.2
71.01347	0.4
71.04961	0.4
71.71355	0.3
73.02905	3.7
81.03400	1.1
85.02895	4.9
87.04461	7.0
91.03927	0.4
97.02863	1.5
99.04444	3.1
101.02377	0.4
103.00648	0.2
103.03940	0.6
104.10731	45.6
105.11050	0.3
105.98396	0.2
109.02859	1.0
112.89599	0.9
113.47878	0.2
114.89341	0.5
115.03888	0.3
116.89082	0.2
119.01936	0.2
120.02072	0.2
121.01659	0.4
127.03899	1.6
129.05466	0.7
145.01602	0.2
145.04977	0.5
146.01895	0.2
153.05490	0.2
162.03049	0.2
163.02713	0.6
164.03131	0.4
191.98201	0.4
206.04095	0.3
207.01364	0.3
224.05055	0.3
248.11418	0.2
256.91058	0.2
261.02960	0.3
266.15958	100.0
267.02246	0.3
267.16287	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.2524
Annotation	Linolenyl alcohol
Peak:m/z	Relative Intensity
53.03935	2.8
55.01862	1.6
55.05506	67.1
56.96002	1.1
57.03415	4.5
57.07071	26.4
65.03931	2.6
67.05498	63.4
69.07061	90.2
70.20696	6.1
71.04977	6.2
71.08624	13.9
75.66486	1.1
79.05486	33.1
81.07048	75.6
83.04967	1.6
83.08612	65.1
85.06553	6.0
85.10175	6.5
91.05456	6.3
93.07037	41.2
95.04943	3.1
95.08596	69.5
95.68393	1.1
96.08914	1.1
97.06528	19.8
97.10162	40.0
98.21364	1.9
99.08083	2.4
105.06989	1.5
107.04964	1.2
107.07912	2.0
107.08585	29.2
109.09401	2.3
109.10140	37.2
110.78418	1.3
111.08076	13.3
111.11705	14.0
113.09631	3.1
116.23905	1.2
118.88637	1.0
121.10134	53.7
123.11686	13.0
125.09588	3.9
125.13271	3.0
131.08533	1.6
135.11684	43.6
137.13237	4.3
139.11139	2.2
149.13248	17.0
149.14317	2.1
151.14841	6.2
153.12709	2.1
163.14804	10.6
163.90858	1.2
165.16444	5.5
167.14371	1.3
177.16351	3.1
191.17900	2.1
201.12791	1.4
205.19521	2.3
216.33183	1.2
247.24182	37.8
265.25235	100.0
265.43170	1.5
266.25589	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	265.216
Annotation	Farnesyl acetate
Peak:m/z	Relative Intensity
53.03949	0.8
53.44106	0.7
54.42091	0.6
55.05507	8.3
57.04461	0.7
57.07063	2.3
65.03947	2.9
66.69270	0.8
67.05499	100.0
69.07059	8.6
70.75603	2.4
71.04983	1.7
79.05483	12.3
81.07049	92.5
83.08615	5.0
85.06551	1.4
91.05484	3.2
93.07037	9.7
95.04982	1.2
95.08597	74.3
97.06508	1.0
97.10157	2.0
99.04427	0.8
105.07035	2.2
107.08570	7.5
109.06513	1.4
109.10149	59.9
111.11723	0.9
113.63670	0.8
116.72606	0.7
119.08527	3.6
121.10131	6.2
121.65001	0.7
123.08043	1.4
123.11699	28.8
131.08549	4.5
133.10129	3.0
135.08008	1.1
135.11678	5.0
137.09662	1.1
137.13243	6.4
145.10126	2.4
147.11699	2.8
149.09604	1.7
149.13274	3.6
151.14799	1.5
159.11693	2.5
163.11186	1.8
163.14774	1.6
165.12897	0.8
173.13275	3.0
177.12730	1.8
181.12189	1.0
191.14291	1.8
195.13821	2.9
205.15900	0.8
209.15327	3.7
223.16855	1.8
229.19527	2.5
247.20529	4.2
265.21606	52.7
273.46509	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.216
Annotation	Farnesyl acetate
Peak:m/z	Relative Intensity
53.03935	2.4
54.37917	0.9
55.01889	0.9
55.05507	27.2
57.03431	1.3
57.07067	11.3
63.05455	0.9
65.03929	2.6
65.89497	0.7
67.05500	100.0
69.07063	34.8
69.51260	8.5
70.06583	1.3
71.04987	3.1
71.08623	4.7
79.05487	20.4
81.07050	98.5
83.04980	1.6
83.08616	20.9
85.06552	2.1
85.10166	2.1
88.07590	1.4
91.05471	4.9
91.05988	1.0
93.07042	20.7
95.04966	1.4
95.08598	94.2
96.08942	0.9
97.06538	7.2
97.10157	15.4
99.08107	1.3
105.07032	3.6
107.08584	15.7
109.06515	1.2
109.10148	61.2
111.08089	4.2
111.11732	4.7
117.06965	1.2
119.08539	1.4
121.10131	24.1
123.08076	1.0
123.11703	20.9
125.09588	1.9
125.13222	0.9
131.08580	2.3
132.10208	2.4
133.10124	3.2
135.11681	18.4
137.13248	5.9
139.11121	1.1
141.12683	1.4
145.10092	1.4
147.11676	2.0
149.09546	1.3
149.13272	8.2
151.14836	2.5
159.11647	2.6
163.11188	1.5
163.14806	3.4
165.16425	2.5
173.13304	2.0
177.12794	1.5
177.16368	1.2
181.12231	1.3
190.04945	1.0
191.14178	1.2
193.89873	1.0
195.13766	1.7
206.46561	0.9
209.13370	0.9
209.15315	2.4
229.19540	1.6
247.20583	2.9
247.24170	11.7
256.26352	3.4
265.21646	25.9
265.25262	30.0
265.28107	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.2159
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.6
53.96409	1.2
55.05506	12.9
57.03420	1.6
57.07050	3.3
65.03934	2.8
67.05499	100.0
68.05803	1.3
69.03419	1.1
69.07046	9.9
71.04976	1.6
71.73158	2.0
71.73530	1.2
79.05490	12.0
81.03401	2.1
81.07046	91.9
83.04983	1.6
83.08603	4.9
85.06522	2.4
91.05463	5.6
93.07040	14.0
95.04949	2.1
95.08596	90.5
97.06518	2.5
97.10158	3.4
99.08086	1.3
105.07033	6.5
107.04945	1.4
107.08578	8.1
109.10144	70.8
117.06947	1.6
119.08553	5.2
121.06445	1.7
121.10151	8.2
123.08038	1.5
123.11693	29.1
131.08548	4.3
133.10121	4.1
135.11665	4.7
137.09624	2.2
137.13219	8.4
145.10074	2.1
147.11685	3.8
149.09583	2.2
149.13243	4.1
149.14458	1.2
159.11630	4.2
163.14810	2.1
169.82346	1.6
173.13257	3.7
177.12755	2.0
187.14734	2.8
193.13365	1.5
195.13719	2.7
201.12688	1.8
209.13445	1.3
209.15373	4.6
223.16962	2.2
234.34317	1.2
247.20540	4.5
265.14096	1.8
265.21609	51.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.2159
Annotation	Farnesyl acetate
Peak:m/z	Relative Intensity
53.03939	1.6
55.05505	10.8
57.07068	1.1
62.45428	0.9
65.03931	2.6
67.05499	100.0
69.07064	7.9
71.04957	1.6
71.75213	2.0
72.05704	1.0
72.08096	1.0
79.05495	12.8
81.03368	1.1
81.07049	98.4
83.04964	1.3
83.08604	3.6
85.06541	1.1
91.05478	4.9
93.07035	11.2
95.04954	1.3
95.08597	87.9
96.08929	1.0
97.06506	1.4
97.10142	2.5
99.04408	1.0
99.08067	1.0
105.07002	3.6
107.08585	8.1
107.47158	1.0
109.06525	1.4
109.10147	61.9
110.10477	1.0
111.08103	1.1
114.34262	1.0
117.07026	1.4
119.08553	4.7
121.06506	1.5
121.10139	5.9
123.11691	28.1
127.07558	1.2
128.66560	1.0
131.08542	3.8
132.01469	0.9
133.10068	3.1
135.08051	1.6
135.11655	5.1
137.09535	1.2
137.13254	5.5
138.51123	1.0
145.10091	3.5
147.11667	2.7
149.09460	1.2
149.13242	3.5
159.11658	3.4
161.13194	1.6
163.11162	3.4
163.14778	2.3
173.13222	4.1
177.12759	1.3
181.12250	1.8
183.70708	1.1
187.14783	1.8
195.13759	2.3
201.12857	1.1
209.15364	2.1
219.21074	1.3
229.19495	2.9
239.25726	1.0
247.20546	4.6
252.45955	1.2
265.21606	48.5
279.57321	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.216
Annotation	Farnesyl acetate
Peak:m/z	Relative Intensity
53.03917	1.4
55.05500	7.4
57.03400	0.9
57.07066	2.2
65.03945	2.6
66.85691	0.8
67.05498	100.0
69.07053	6.7
70.07922	4.6
71.04980	1.7
79.05492	11.1
81.07047	84.8
82.07384	1.0
83.04971	1.2
83.08620	3.5
85.06525	1.8
85.85102	0.9
91.05463	4.5
93.07032	9.9
95.04948	2.0
95.08595	70.4
97.06535	1.2
97.10165	2.0
105.07018	3.8
107.08566	7.6
109.06519	2.1
109.10148	52.6
117.06938	1.5
119.08579	3.4
121.10132	5.9
123.08105	1.2
123.11691	23.6
125.09620	0.9
125.91424	0.9
131.08591	4.6
133.10123	2.7
135.08031	1.4
135.11699	4.5
137.09642	1.5
137.13214	4.3
145.10146	2.3
147.11742	2.4
149.09604	1.7
149.13278	2.1
151.11253	1.3
151.14799	1.2
153.09146	1.0
158.36914	0.8
159.11691	3.4
160.46167	0.8
161.13292	1.0
163.11203	1.2
163.14828	1.6
173.13252	4.5
177.12682	1.4
181.12276	1.2
182.31169	1.2
187.14798	1.4
191.14218	1.4
195.13820	1.8
209.15331	2.7
209.77158	1.0
223.17026	1.2
229.19429	1.6
247.20575	3.8
254.82961	0.9
265.18985	0.9
265.21597	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	265.1544
Annotation	H-VAL-PHE-OH
Peak:m/z	Relative Intensity
50.80928	0.3
53.03936	0.4
55.01870	0.4
55.05505	11.5
56.05026	0.7
57.03428	0.4
57.05803	0.8
57.07058	0.3
66.25539	0.3
67.05503	0.6
69.03422	0.5
69.07063	0.6
70.06583	2.0
71.04988	0.5
71.74351	0.4
72.08147	100.0
79.05495	0.7
81.03411	0.2
81.07048	1.2
83.08624	0.3
84.04498	1.9
84.08144	1.4
86.09714	0.7
86.37776	0.2
91.05470	1.0
93.07031	0.9
94.06552	0.3
95.04945	0.5
95.08604	0.5
97.07648	1.9
98.09676	0.4
103.05466	0.5
105.07034	0.9
107.04989	0.4
107.08601	0.6
110.07149	0.5
112.08723	0.9
114.10278	10.5
119.08562	0.6
120.08096	12.3
120.67418	0.3
121.06496	0.4
121.10117	0.5
123.04484	0.4
130.05020	0.8
131.04907	0.3
131.08565	0.6
134.09653	0.4
135.08035	0.5
135.10138	0.2
135.11674	0.5
136.06197	1.4
143.08549	0.3
145.10202	0.4
149.05969	0.5
150.07768	1.6
159.08063	0.4
165.09181	0.3
166.08624	9.5
175.07567	0.4
201.12698	0.5
206.19037	0.3
219.15005	0.3
223.86623	0.3
229.12291	0.7
234.10254	0.4
247.13223	0.3
262.18326	0.3
265.06659	0.3
265.12338	0.3
265.15555	2.2
265.23975	1.0
266.16074	0.8
271.20676	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1433
Annotation	[3aR-(3aalpha,6alpha,8abeta,9aalpha)]-3a,4,6,7,8,8a,9,9a-Octahydro-6-hydroxy-5-(hydroxymethyl)-8a-methyl-3-methylenenaphtho[2,3-b]furan-2(3H)-one
Peak:m/z	Relative Intensity
50.62913	4.0
53.03941	5.2
55.05489	14.0
65.03915	9.4
67.05500	26.1
69.03423	35.7
69.07042	9.0
70.14187	13.6
70.14600	10.0
79.05476	20.5
81.07038	15.4
83.04945	5.0
84.04479	6.1
91.05480	57.6
93.03374	8.1
93.07024	37.8
95.04953	48.5
95.08593	24.6
97.06525	6.1
98.20787	5.9
99.04453	8.2
103.05463	5.2
105.07017	76.0
107.04937	4.9
107.08569	15.6
109.06510	40.6
109.10126	7.2
111.04443	30.9
111.08078	5.8
113.05984	19.4
115.05435	6.9
116.06216	8.9
117.06982	22.4
118.06538	5.9
119.07749	8.6
119.08573	100.0
120.08078	8.0
121.02821	11.6
121.06500	48.4
121.10134	12.1
123.08062	26.2
128.06206	11.8
129.06964	12.2
130.07695	7.6
131.08565	42.2
133.06473	13.3
133.10100	24.3
135.08047	90.4
136.07584	6.0
137.09612	14.3
139.03886	15.5
139.07497	7.0
141.06963	6.6
142.07791	10.7
143.08542	15.0
144.09328	9.9
145.06439	14.2
145.10109	32.4
147.08031	42.2
147.11671	17.3
149.06013	5.5
149.09608	11.9
155.08501	11.2
156.09306	13.2
157.06442	6.0
157.10074	24.6
158.07303	22.1
159.08046	34.1
159.11624	32.7
161.09578	42.2
165.09077	33.0
168.09329	6.9
171.08064	7.6
171.11696	11.4
172.08826	19.9
173.09622	25.8
173.13258	25.4
175.07524	75.1
175.11153	42.5
183.11694	12.3
185.09674	5.5
186.10411	6.2
187.11140	43.7
189.09085	10.8
189.12700	14.6
193.08586	23.7
193.10110	6.0
196.08813	10.6
199.11198	13.1
201.12732	40.8
203.10622	50.9
205.12256	8.1
211.11148	27.3
217.12274	27.1
219.13884	9.4
229.12210	31.0
235.13272	8.6
247.13272	56.7
265.14261	51.8
278.08459	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1433
Annotation	[3aR-(3aalpha,6alpha,8abeta,9aalpha)]-3a,4,6,7,8,8a,9,9a-Octahydro-6-hydroxy-5-(hydroxymethyl)-8a-methyl-3-methylenenaphtho[2,3-b]furan-2(3H)-one
Peak:m/z	Relative Intensity
53.03934	5.0
55.01867	4.1
55.05494	10.0
57.03431	3.8
65.03922	11.2
67.05505	35.8
69.03423	42.4
69.07065	3.5
71.04979	7.8
71.18201	3.5
71.18537	5.7
72.08138	4.3
79.05486	29.6
81.03426	2.8
81.07042	20.2
83.04980	7.2
84.04482	4.1
84.08147	3.1
85.02008	2.7
85.06526	2.8
86.36189	2.8
89.10900	3.5
91.05470	63.3
92.77470	2.7
93.03381	7.9
93.07041	49.6
94.46533	2.6
95.04963	57.7
95.08610	25.3
97.02882	7.4
97.06528	9.2
99.04436	7.1
100.90968	2.3
105.03377	5.9
105.07024	83.0
107.04938	6.9
107.08584	23.6
109.06519	34.1
109.10136	11.2
110.47049	2.7
111.04453	38.3
111.08073	8.9
113.05981	20.7
115.05442	7.8
116.06232	6.5
117.07013	21.3
119.08577	100.0
121.02864	11.7
121.06508	52.0
121.10137	15.7
123.08047	22.8
125.05956	6.1
128.06212	10.1
128.78973	2.6
129.07013	19.8
130.07764	8.0
131.07658	4.0
131.08568	52.0
132.05754	3.5
132.47900	2.6
133.06500	14.6
133.07372	2.7
133.10114	22.6
135.07037	5.8
135.08043	92.6
137.05980	5.1
137.09627	16.9
139.03891	15.8
139.07494	7.8
141.06981	10.7
142.07776	12.8
143.08540	18.9
144.05681	5.8
144.09326	10.2
145.06476	12.8
145.10121	32.8
146.07234	4.6
147.08047	51.8
147.11702	21.4
149.05968	9.1
149.09598	14.3
150.07732	8.1
151.07495	5.1
152.08797	2.9
153.06931	6.7
153.09108	8.9
154.07799	4.5
155.08542	12.1
156.09277	5.9
157.06487	5.3
157.10158	22.9
158.07289	23.5
158.10884	6.6
159.08052	48.7
159.11674	44.6
160.08864	3.8
161.05959	5.9
161.09619	43.3
161.13271	7.7
163.07495	5.6
163.11256	3.2
165.09113	38.8
168.09312	7.9
169.10072	4.7
171.08020	9.8
171.11662	9.7
172.08844	27.3
173.06070	3.4
173.09633	25.5
173.13284	25.3
175.07555	82.2
175.11148	40.7
181.06435	2.9
181.10098	3.5
183.11702	13.0
185.09666	7.3
185.13342	3.9
186.10355	6.4
187.11162	38.3
189.09096	11.2
189.12744	17.0
193.08609	31.3
196.08809	10.3
199.11160	17.0
201.08987	3.2
201.12758	37.2
203.10672	46.3
205.12204	11.3
211.11215	17.2
217.12212	28.3
219.13747	13.7
229.12241	30.6
235.13232	4.3
247.13298	50.9
248.15166	3.2
265.14316	59.9
266.16104	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	265.1433
Annotation	[3aR-(3aalpha,6alpha,8abeta,9aalpha)]-3a,4,6,7,8,8a,9,9a-Octahydro-6-hydroxy-5-(hydroxymethyl)-8a-methyl-3-methylenenaphtho[2,3-b]furan-2(3H)-one
Peak:m/z	Relative Intensity
53.03934	6.9
55.05506	17.7
57.03447	3.3
60.78984	2.9
64.90053	2.5
65.03929	9.1
67.05497	28.2
68.20721	2.3
69.03423	40.9
69.07048	7.3
69.44760	27.9
70.06577	5.8
71.04967	9.7
79.05485	23.3
81.07047	24.6
83.04967	8.6
85.02895	4.7
91.05477	54.0
91.10510	2.4
93.03410	6.4
93.07030	44.3
95.04952	46.0
95.08599	20.2
97.02923	3.2
97.06496	10.6
99.04433	5.5
103.05440	5.2
105.07018	75.4
107.04948	5.2
107.08574	27.3
109.02852	4.4
109.06506	31.3
109.10139	6.7
111.04433	32.9
111.08101	12.3
113.06008	18.6
115.05424	5.5
116.06264	8.3
117.07019	19.6
119.08565	100.0
120.08100	4.4
121.02831	10.4
121.06493	41.7
121.10130	17.8
123.04417	3.7
123.08061	31.2
125.05964	4.1
126.34570	2.4
128.06194	9.1
129.07005	23.6
130.07777	7.5
131.04889	4.5
131.08553	48.0
133.06464	15.8
133.10100	21.5
135.08040	87.9
137.05986	2.7
137.09605	10.8
139.03885	11.4
139.07503	8.3
141.06966	11.0
142.07768	19.1
143.08554	20.3
144.05664	4.6
144.09309	11.1
145.06430	22.0
145.10124	37.2
146.07259	3.4
147.08028	49.6
147.11687	14.7
149.05925	3.6
149.09576	13.4
151.07542	4.3
153.09103	3.8
154.07767	2.6
155.08549	10.7
156.09319	12.5
157.06444	7.1
157.10085	23.1
158.07254	23.3
158.10837	5.8
159.08057	45.3
159.11676	45.5
160.08833	5.3
161.05986	3.8
161.09589	42.0
161.13240	8.3
163.07570	3.8
165.06998	3.5
165.09103	37.5
167.08488	4.2
167.10722	4.3
168.09338	9.3
169.10112	3.0
171.08025	9.8
171.11720	10.9
172.08859	21.1
173.09596	22.6
173.13226	21.2
174.06752	3.6
175.07533	74.6
175.11168	38.5
177.09033	3.9
179.03014	3.0
181.06566	5.2
183.11725	14.0
185.09618	8.5
185.13202	4.1
186.10399	7.8
187.11166	48.0
189.09093	11.1
189.12691	12.2
193.08592	21.9
193.10075	4.6
196.08846	9.7
199.11154	11.8
201.12691	37.7
203.10641	42.9
205.12286	7.3
207.10155	3.2
207.85718	2.6
211.11150	20.3
217.12253	20.2
219.13800	11.8
229.12234	29.3
235.13219	8.2
247.13286	44.5
265.08563	4.6
265.14316	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	264.1955
Annotation	Flabelliformine
Peak:m/z	Relative Intensity
53.03929	1.7
55.05497	2.3
56.96536	1.7
57.68399	1.4
58.67036	1.5
65.03919	4.6
66.71923	1.4
67.05139	2.5
67.05499	46.4
69.07048	3.2
70.06211	2.4
70.06582	39.4
71.04956	2.7
71.74923	2.2
74.11777	1.4
79.05500	13.7
81.07046	42.5
82.06544	1.5
84.08130	2.6
91.05476	6.0
93.07032	20.7
95.04948	3.0
95.08598	18.8
97.06516	2.8
101.24210	1.4
105.06999	3.5
107.08575	7.3
108.08118	3.4
117.07011	2.3
119.08517	2.2
120.08084	15.0
121.10184	2.6
122.38763	1.5
127.76048	1.6
131.08568	3.7
133.10089	3.6
134.09645	4.1
135.08017	3.0
135.11664	9.1
136.11205	11.7
148.11169	2.2
149.13246	6.4
159.11681	5.1
175.77820	1.7
177.12743	3.7
195.13789	2.1
201.12651	2.3
223.20120	1.5
264.11996	3.2
264.19556	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1279
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	3.6
55.05510	3.5
57.03431	3.5
57.07070	100.0
67.05507	8.3
69.03419	9.8
69.07058	8.5
70.06577	8.8
70.48525	12.6
71.04989	3.7
72.08137	4.8
79.05471	4.1
81.03411	49.7
81.07062	11.5
84.08132	14.1
85.02898	6.7
85.06543	24.4
86.09697	10.2
91.05477	8.9
93.07054	9.7
95.08601	10.7
98.20705	3.8
99.04442	4.6
99.63325	3.6
105.07001	5.7
107.08583	4.5
109.02875	36.6
109.10165	5.1
110.07168	7.7
117.06995	4.6
117.76833	3.7
119.08546	5.1
120.08149	3.1
121.06452	3.7
123.08069	3.3
127.03909	4.6
129.10239	4.0
131.08530	6.1
135.08049	5.3
140.13632	3.8
141.10126	3.2
145.10083	4.4
146.06009	4.3
159.08017	3.9
159.11714	4.7
173.13293	5.1
175.07471	4.0
187.11223	3.6
201.12822	3.5
205.12305	3.9
229.12434	5.6
265.14545	3.4
265.17944	3.6
265.25058	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	264.1956
Annotation	Flabelliformine
Peak:m/z	Relative Intensity
53.03930	1.3
55.01856	0.6
55.05500	3.5
56.96555	1.0
59.04956	0.5
64.94654	0.5
65.03931	2.8
67.05499	50.8
69.07062	3.2
70.06586	39.3
71.04993	3.3
71.17419	1.3
74.02271	0.5
79.05484	13.2
80.05025	0.6
81.07049	49.0
82.06563	0.7
83.04957	1.4
83.08602	1.6
84.08145	1.0
85.06541	2.9
87.04423	0.8
91.05484	4.7
93.05779	1.1
93.07034	26.6
94.06556	1.2
95.04951	2.2
95.08601	16.4
97.06508	1.7
98.21004	1.0
105.07019	3.2
106.06549	1.2
107.07369	0.8
107.08582	8.4
108.08112	2.7
109.06507	1.7
109.10132	1.5
113.05951	0.7
117.07013	3.2
119.08554	1.8
120.08097	14.0
120.09526	0.5
121.06480	2.2
121.08871	1.5
121.10115	2.3
122.09658	1.3
123.08069	1.0
129.06940	0.7
131.08574	3.8
133.10106	3.5
134.09630	6.3
135.08040	2.8
135.10432	2.3
135.11671	14.7
136.11185	11.1
139.07509	0.5
148.11130	2.7
149.09595	0.6
149.11984	1.7
149.13234	6.4
159.11687	5.5
162.03064	0.6
170.76678	0.6
177.12724	4.4
195.13788	2.4
213.11147	0.5
218.77199	0.6
228.93745	0.5
236.16379	0.7
248.16502	0.7
262.18063	1.1
264.19568	100.0
265.19864	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	264.1957
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.4
55.05503	5.2
56.05013	3.2
63.31081	1.9
64.25009	2.0
67.05503	17.2
68.48686	2.0
69.07069	2.3
69.49265	1.6
69.53715	1.7
70.06588	4.2
70.18760	4.0
70.19133	8.2
70.28424	1.8
71.07365	8.1
72.08153	25.9
79.05489	100.0
79.19175	1.7
79.22954	2.1
79.96525	2.0
80.05816	2.0
81.03422	4.0
81.07046	20.6
83.04980	3.3
91.05473	40.1
93.07053	13.7
95.04975	10.5
95.08589	3.4
96.04488	2.2
98.06068	3.8
105.07024	36.7
107.04925	5.6
107.08585	63.5
109.06529	5.3
112.35368	1.8
119.08591	13.1
131.08586	5.2
133.06488	4.5
133.10129	12.0
139.09932	12.0
145.10158	2.5
147.08055	2.4
147.11673	43.4
148.78961	1.7
149.13239	7.4
152.10634	2.5
157.10141	4.6
175.11218	7.3
190.08571	2.3
220.09531	2.8
246.18526	48.7
248.20126	2.3
257.36298	2.0
264.08478	25.5
264.12460	2.3
264.19638	1.9
289.86215	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	264.1439
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62811	1.4
52.87776	1.6
53.03929	2.0
55.05501	2.8
56.05032	9.2
56.96555	2.8
57.03428	5.2
59.03719	2.2
59.37802	1.6
60.04530	3.3
60.05630	2.0
61.01144	4.6
61.02914	2.2
67.05496	2.7
68.05019	4.4
69.03421	6.2
69.07047	12.6
70.06585	15.5
71.01241	1.7
71.04995	2.2
71.74075	3.3
72.04498	3.4
72.08145	6.8
73.02909	4.1
74.06066	4.4
74.26586	1.7
74.32700	1.5
79.05492	2.5
80.05006	2.4
81.03418	7.2
81.07082	2.5
82.03732	2.2
82.06564	1.7
83.05017	2.4
83.06036	2.1
84.04501	14.5
84.08131	26.0
85.02901	11.2
85.06543	2.0
86.09695	46.2
86.10194	3.1
87.03211	17.8
87.04475	2.2
87.05629	1.8
87.10041	2.3
88.03970	9.7
91.05457	4.4
93.80336	1.7
95.04968	5.0
96.04456	2.8
96.08134	2.3
97.02879	5.5
97.06504	2.1
98.06091	2.2
98.09689	16.3
98.97567	1.9
99.04465	7.0
100.02213	4.4
100.11239	2.2
101.02329	1.7
102.05544	4.3
102.09145	3.7
104.05312	5.7
105.06996	1.9
107.04967	3.6
108.04484	4.7
109.02849	4.4
110.03198	1.8
110.07146	11.9
111.04464	1.8
111.05532	1.8
112.07614	2.3
112.11256	1.6
113.07130	3.5
114.05495	12.7
115.03905	3.2
115.05080	2.0
119.01882	3.2
119.08529	2.1
120.02018	4.6
120.08126	1.5
122.06036	4.8
122.09693	1.7
126.05499	2.9
127.03903	5.3
127.98425	1.7
128.10719	6.6
129.10216	7.5
130.08611	2.7
131.05768	16.5
132.10237	4.0
133.03210	2.5
136.07573	3.4
140.07123	2.6
140.10677	2.2
141.05457	3.7
142.12260	2.6
144.02023	1.9
144.10167	3.4
145.04987	2.2
146.02658	3.7
150.05754	7.0
156.07703	3.2
161.02975	4.6
162.03059	10.1
163.02711	3.2
164.10722	4.5
167.08167	1.8
171.07654	2.3
173.03008	2.0
174.03146	3.0
175.02841	2.4
182.11737	22.1
185.09174	4.3
187.02988	3.4
192.04152	2.7
200.12788	100.0
204.04034	1.8
210.11247	4.9
218.13840	23.6
228.12280	53.1
232.11772	3.1
246.04039	1.7
246.13339	69.5
255.93507	1.9
264.05847	5.5
264.08768	2.2
264.11942	1.9
264.14575	8.2
265.04922	5.8
287.93439	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2367
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50349	1.1
53.03917	1.1
55.05505	17.9
57.03424	1.9
57.07068	14.7
67.05496	88.7
69.07063	16.6
71.04971	2.1
71.08614	7.2
71.67421	2.2
79.05481	22.3
81.07046	100.0
82.07388	1.0
83.04983	1.1
83.08601	14.0
85.06525	4.2
85.10174	4.8
91.05459	19.4
93.07033	20.9
95.04967	2.1
95.08594	88.1
97.06528	7.8
97.10141	7.3
99.08076	6.0
105.07004	13.8
107.08578	13.5
109.06441	1.3
109.09391	2.2
109.10144	44.0
111.08078	5.8
111.11710	1.9
113.09624	3.4
119.08557	15.3
121.10128	16.2
123.08063	2.7
123.11688	15.8
127.11164	2.7
133.10117	15.2
135.11710	9.0
137.09581	3.3
137.13242	6.7
141.12697	1.1
147.11658	8.5
149.13257	8.3
151.11165	2.9
151.14793	7.4
161.13237	9.5
163.14774	6.7
165.16376	10.5
175.14792	7.1
177.16313	1.8
179.18013	5.3
188.48892	1.2
189.16353	4.6
203.17944	1.6
217.19438	1.2
219.21028	1.1
245.22626	33.3
263.23672	61.9
264.23959	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	263.2368
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
53.03931	2.9
54.34078	1.4
55.01870	1.4
55.05280	1.4
55.05509	18.6
56.74290	1.4
57.03419	2.2
57.07070	12.6
57.66083	1.2
65.03934	2.6
66.38307	1.2
67.05502	82.0
68.95927	1.3
69.06737	1.7
69.07063	18.4
70.86079	3.3
71.08634	6.6
78.90810	1.3
79.05486	25.7
81.07051	100.0
83.04977	2.5
83.08615	14.8
85.06507	2.5
85.10149	3.2
91.05470	21.2
93.06511	2.2
93.07036	28.4
95.04957	3.0
95.08600	77.5
97.06511	6.9
97.10176	6.5
99.08079	4.4
100.32977	1.2
105.07014	18.1
107.08589	19.7
109.06504	3.7
109.10150	40.4
111.08067	4.6
111.11674	2.3
113.09653	1.9
117.07085	1.6
119.08566	21.0
121.10139	17.7
123.08066	1.6
123.11700	18.3
125.09523	1.7
127.11259	1.6
133.10136	17.6
135.11702	11.1
137.09595	3.8
137.13277	8.5
141.12657	1.6
147.11685	12.6
149.13239	9.0
151.11154	1.6
151.14818	3.1
161.13263	13.3
163.14809	9.0
165.16380	4.7
175.14821	9.3
177.16354	1.7
179.17986	2.5
189.16376	5.1
203.17863	1.6
221.27194	1.4
226.20482	1.3
239.72021	1.4
245.22641	37.3
255.30853	1.4
263.08057	1.6
263.23679	70.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2366
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
53.03928	1.6
55.01865	1.2
55.05503	14.1
57.03430	2.2
57.07071	12.5
59.18197	1.0
59.46978	1.1
62.58372	0.9
63.07294	1.1
65.03922	3.0
67.05499	98.4
69.07063	19.3
70.55666	3.8
71.04974	1.6
71.08612	6.5
79.05482	23.2
81.07049	100.0
83.04974	2.1
83.08617	14.4
83.13981	0.9
85.06528	4.6
85.10169	3.1
91.05470	19.8
93.07040	26.7
94.07344	1.1
95.04964	2.8
95.08598	88.4
97.06523	8.7
97.10155	6.3
99.08097	5.0
105.07017	11.4
107.08591	13.7
109.10147	46.6
111.08060	4.1
111.11691	1.4
113.09630	4.1
119.08575	12.8
121.10136	16.9
123.08051	4.2
123.11691	17.3
127.11161	1.1
133.10124	13.5
133.28380	0.9
135.11688	10.4
137.09573	2.8
137.13220	6.0
141.12720	2.3
147.11676	11.2
149.13246	9.2
151.14822	7.4
155.14294	1.8
161.13251	11.1
163.14816	8.8
165.16379	10.7
175.14786	6.3
179.17978	4.7
181.15965	1.0
189.16351	2.8
190.68706	1.1
217.19473	1.4
245.22636	31.1
263.23669	65.6
264.23978	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2367
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
52.73582	1.1
55.05504	14.9
55.58921	1.4
57.07066	12.1
62.11157	1.2
65.03931	2.0
67.05499	80.8
69.07063	17.0
69.97747	1.0
70.93884	2.8
70.94226	1.4
71.08630	6.3
79.05485	19.6
81.07048	100.0
83.04987	1.7
83.08617	10.2
85.06523	3.6
85.10170	1.2
89.92454	1.2
91.05463	17.5
91.84081	1.2
93.07035	20.5
95.08598	78.2
95.24450	1.1
96.87248	1.3
97.06532	7.5
97.10146	6.2
99.08086	4.8
103.63539	1.3
105.07024	12.1
107.08588	11.3
109.10145	35.0
111.08089	3.4
111.11749	1.7
113.09679	3.8
119.08582	10.7
121.10133	15.9
123.08046	1.8
123.11684	14.1
127.11217	1.8
133.10115	14.4
135.11688	8.0
137.09637	1.2
137.13252	4.6
139.48479	1.3
141.12743	1.9
147.11665	8.7
149.13219	6.6
151.11079	1.2
151.14816	5.0
161.13229	9.5
163.14815	5.3
165.16348	5.4
167.20015	1.2
175.14865	6.5
178.21956	1.3
179.17990	2.7
181.15793	1.4
189.16295	3.1
211.68713	1.2
245.22617	19.7
257.82492	1.3
263.23654	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	263.2367
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
53.03934	2.4
55.05280	1.1
55.05510	15.4
55.12059	0.9
57.07071	12.5
58.77089	1.0
65.03926	2.9
65.09943	0.9
67.05498	84.1
69.06742	1.3
69.07063	16.4
71.04977	2.2
71.08623	6.5
71.72741	1.5
79.05488	22.2
81.07049	100.0
82.07360	1.3
83.04956	2.8
83.08613	13.9
85.06523	3.5
85.10168	3.9
88.83608	0.9
91.05470	17.7
93.07040	25.9
95.04942	2.2
95.08595	82.2
96.08936	1.1
97.06516	6.0
97.10156	8.0
99.08092	5.9
105.07022	12.7
107.08579	14.0
109.06493	2.4
109.10147	42.7
111.08083	4.6
111.11663	1.7
113.09621	3.1
117.06990	1.3
119.08567	15.1
121.10136	18.4
123.08045	2.9
123.11692	18.4
125.09603	1.1
127.11174	1.9
129.06975	1.5
133.10114	16.4
135.11670	10.2
137.09610	2.2
137.13240	8.6
141.12694	1.2
142.07745	1.5
143.08539	2.8
147.11673	11.2
149.13255	9.5
151.11118	2.0
151.14804	8.4
155.14294	1.3
157.10107	3.8
161.13242	10.7
163.14778	7.8
165.16359	7.0
175.14806	6.1
177.16406	1.4
179.17934	2.1
181.15746	1.2
189.16356	4.2
193.10115	1.6
203.17937	2.1
206.10869	2.1
207.11728	2.4
207.17473	1.1
219.11728	1.3
221.13261	3.2
233.13252	2.8
245.22638	30.5
248.15599	2.3
263.08395	1.5
263.17935	7.0
263.23679	61.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2367
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	3.1
55.01843	1.9
55.05507	13.5
57.03429	1.3
57.07067	11.6
61.46555	1.1
67.05502	82.0
69.06750	1.5
69.07066	18.3
69.50243	12.0
71.04971	1.9
71.08618	6.1
74.28336	1.2
79.05486	24.2
81.07052	100.0
83.04977	1.9
83.08619	13.1
85.06516	4.4
85.10154	2.6
91.05479	20.6
93.07042	31.5
95.04945	3.5
95.08601	81.4
97.06509	7.9
97.10155	5.1
98.20658	2.4
99.08080	5.8
105.07024	12.0
107.04926	1.2
107.08595	14.2
109.06488	2.9
109.09418	2.1
109.10153	42.0
111.08056	4.8
111.11639	1.3
113.09631	2.4
117.06943	1.4
119.08586	15.3
121.10136	23.4
123.08040	3.1
123.11702	17.7
125.09612	2.4
127.11181	1.7
131.08533	2.4
133.06407	1.3
133.10121	16.1
135.11687	10.1
137.09586	3.5
137.13234	8.5
141.12738	2.8
143.08559	1.3
147.11682	9.2
149.13239	9.8
151.14839	7.9
155.14268	1.4
157.09940	1.3
161.13271	10.2
163.14803	7.9
165.12688	1.5
165.16368	8.7
171.11569	1.8
175.14816	9.3
177.16388	1.8
179.17937	3.3
189.16405	4.9
203.17943	2.1
204.13353	2.0
206.08072	1.2
217.19708	1.3
221.12573	1.4
245.22635	29.8
247.11606	4.3
248.12396	3.7
263.08209	4.1
263.14731	28.5
263.20538	3.0
263.23682	69.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2367
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
51.90818	0.7
53.03936	2.2
55.01867	2.4
55.05504	15.6
57.03422	1.9
57.07067	11.0
59.45229	0.7
65.03944	2.3
66.88731	0.7
67.05499	84.5
69.03427	0.8
69.07060	17.8
71.04978	1.6
71.08631	6.0
71.75495	1.2
79.05486	22.4
80.79878	0.6
81.03409	0.9
81.07049	100.0
83.04980	3.3
83.08614	12.6
85.06537	4.0
85.10175	2.6
88.24686	0.7
88.93312	0.7
91.05474	19.6
93.07037	27.0
95.04970	2.5
95.08597	82.1
96.08948	0.8
97.06528	9.4
97.10159	6.6
99.08089	5.0
105.07034	11.4
107.08586	15.8
109.06502	2.1
109.10147	44.4
111.08064	4.8
113.09617	3.2
117.07006	1.2
119.08584	11.7
121.10133	15.8
123.08022	2.5
123.11695	17.1
125.09586	1.2
127.11195	1.5
129.66373	0.9
131.08533	1.1
133.10127	15.4
135.11694	10.0
137.09619	3.3
137.13248	6.3
138.61308	0.6
139.11115	0.8
141.12723	1.7
147.11668	9.7
149.13266	8.8
151.11150	2.2
151.14778	6.9
154.18375	0.9
155.14290	1.8
161.13243	8.8
163.14824	8.0
165.16380	8.3
175.14815	7.0
177.16365	2.1
179.17949	3.5
181.15955	1.0
189.16374	3.5
199.14853	0.9
203.17920	1.6
217.19482	1.4
219.07292	0.7
221.13124	0.9
221.18921	0.8
245.22618	31.8
263.08301	1.6
263.14642	2.5
263.20309	3.1
263.23672	64.4
264.24069	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2116
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01804	1.3
55.05422	3.0
55.77480	0.6
57.03349	4.6
57.03644	0.9
60.07486	0.6
66.60991	0.6
67.05402	3.3
69.03360	0.8
69.06972	2.5
69.92045	3.0
69.92468	1.2
70.06487	10.9
70.06910	1.5
72.08051	50.8
72.08497	6.0
79.05390	4.6
79.95948	0.6
80.04943	0.7
81.03333	0.9
81.06947	6.2
82.06499	1.5
83.08519	1.2
84.08038	1.0
85.06455	0.8
86.09622	0.6
91.05467	4.0
93.06918	4.9
94.06558	4.6
95.04851	2.2
95.08498	5.4
95.09132	1.2
97.10065	0.9
105.07019	4.2
107.04848	1.1
107.08592	3.4
108.08018	0.7
109.06457	1.4
109.10118	3.0
109.10697	0.6
115.05369	0.8
117.06908	1.5
119.08547	3.9
120.07983	2.2
121.06459	1.4
121.10065	2.5
122.09563	2.9
123.08060	4.4
123.11630	1.3
125.05876	0.7
125.09594	0.6
129.06871	2.1
131.08449	1.9
132.08078	3.1
133.06413	0.7
133.08806	1.5
133.10008	2.7
133.10944	0.7
134.09645	5.5
135.07942	1.4
135.11642	1.6
136.11195	9.7
136.42336	0.7
137.09518	1.1
138.09045	1.6
138.12762	4.5
141.06889	1.2
143.08553	0.8
145.10014	1.7
146.09619	4.7
147.07924	1.7
147.10442	12.9
147.11566	1.8
148.11191	4.7
149.09520	1.0
149.13118	1.1
150.09116	5.4
151.07428	1.9
157.10031	1.6
159.07904	1.2
159.11597	0.9
160.11221	5.4
161.09543	1.2
161.11969	1.0
161.13205	1.1
162.12672	2.3
165.09058	0.7
171.11594	0.9
173.13191	0.8
174.12756	6.4
175.07533	0.8
175.11107	0.9
175.13460	2.7
175.14839	0.9
176.14249	2.0
185.13271	1.0
186.12700	0.8
188.14301	3.0
189.15076	9.2
190.12196	2.7
190.15892	26.8
192.13814	20.4
194.15436	6.6
199.11142	0.7
203.07080	0.7
203.10738	0.9
204.13869	5.2
217.12292	1.2
217.15845	1.5
218.18947	2.4
227.14267	1.0
228.17525	1.1
233.07983	1.5
235.16878	0.7
245.15414	1.5
246.18512	100.0
247.18814	2.0
263.06775	0.7
263.09183	1.2
263.16507	5.4
263.21176	25.0
263.23843	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2003
Annotation	3-Acetoxy-E-gamma-Bisabolene
Peak:m/z	Relative Intensity
51.02383	1.7
53.03928	6.0
55.01868	13.7
55.05270	2.5
55.05506	27.3
57.03431	2.6
57.07056	7.6
63.14482	1.7
65.03926	2.9
67.05499	38.9
69.07063	21.1
71.05007	3.2
71.08604	2.6
72.08141	2.0
79.05482	81.3
81.03403	3.3
81.07045	47.1
83.04968	5.5
83.08601	11.6
84.08146	2.3
85.06532	4.2
85.68603	1.7
91.05473	40.3
93.07034	100.0
94.07394	2.3
95.04951	11.6
95.08599	39.7
97.06525	20.3
97.10159	5.4
99.08102	3.1
105.07030	28.5
107.08578	56.6
109.06511	5.4
109.10159	14.5
111.08094	2.1
117.07017	4.7
119.08572	21.0
121.06602	1.8
121.09258	3.9
121.10131	61.6
123.08033	4.8
123.11674	4.9
125.09620	1.9
129.06995	4.3
131.08559	6.9
133.10117	20.6
135.11679	44.5
137.09576	3.8
142.07753	2.3
143.08553	4.4
145.10091	5.6
147.11658	14.1
149.09631	2.8
149.13252	16.5
151.11104	2.8
157.10112	3.3
159.11699	3.4
161.09662	2.0
161.13240	4.7
163.11174	4.6
163.14807	4.7
165.12767	2.3
169.10107	2.1
171.11696	4.8
173.13246	2.1
175.11220	3.1
181.12216	2.6
185.13196	5.1
189.12773	3.1
199.14847	2.5
203.14389	3.0
203.18007	2.0
207.13771	2.1
212.08379	2.1
221.13329	2.1
221.15346	3.9
227.17905	4.4
245.11734	1.9
245.18982	6.4
245.22696	1.9
263.08200	8.6
263.20038	83.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2003
Annotation	3-Acetoxy-E-gamma-Bisabolene
Peak:m/z	Relative Intensity
51.02377	1.5
53.03933	6.6
54.06415	1.3
55.01836	2.2
55.05282	1.6
55.05504	19.5
57.03412	5.1
57.07052	2.7
65.03902	1.9
67.05142	2.0
67.05497	32.7
69.03396	1.6
69.07059	15.9
71.04958	4.3
71.74223	1.8
71.74599	1.7
71.97488	1.3
72.08145	2.9
75.04534	1.4
77.03886	1.8
79.05485	81.5
81.07047	44.1
81.07530	1.8
83.04952	4.8
83.08619	9.9
84.08136	1.6
85.06534	3.2
87.32710	1.3
88.07616	1.7
91.05476	35.8
93.07032	100.0
95.04971	9.6
95.08006	2.6
95.08593	36.9
97.06501	4.7
97.10146	3.3
99.08072	2.5
105.04485	2.2
105.07026	24.6
107.04946	2.3
107.08577	75.5
109.06523	7.4
109.10152	15.1
111.08083	3.8
115.05460	1.9
117.07009	3.1
119.08564	22.6
120.08102	1.6
121.06493	3.2
121.10130	80.1
123.08028	5.3
123.11684	3.0
129.06972	2.9
131.08556	10.9
133.06474	1.7
133.10104	16.4
135.08035	5.4
135.11673	39.5
137.09607	3.3
142.07730	2.0
143.08528	3.4
145.06630	1.4
145.10112	8.3
147.08069	1.8
147.11681	12.2
149.09558	4.7
149.13239	15.1
151.11101	1.9
157.10112	4.9
159.07997	1.9
159.11690	4.5
161.09601	4.0
161.13263	6.9
163.14825	2.2
167.10648	1.4
171.11662	5.8
173.13232	3.7
175.11133	3.1
185.13217	5.3
189.12604	1.8
189.16330	1.5
191.14305	3.7
193.12103	1.6
199.14775	2.5
203.10631	1.4
203.14354	2.1
207.13788	3.8
215.21913	2.9
221.15350	2.5
224.32516	1.5
227.17928	3.6
245.18933	7.9
249.22314	1.4
263.16525	10.5
263.20038	87.4
263.24026	6.0
264.07626	1.5
273.09656	1.8
276.79306	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2003
Annotation	3-Acetoxy-E-gamma-Bisabolene
Peak:m/z	Relative Intensity
51.02382	1.2
52.62593	1.3
53.03939	6.5
55.01850	5.7
55.05505	29.4
57.03415	2.8
57.07069	2.9
59.04973	1.4
60.27662	1.1
62.34258	1.1
65.03925	2.2
67.05497	47.9
69.03407	1.2
69.07059	23.5
71.04964	3.7
71.08607	1.9
77.03876	1.6
79.05482	67.5
81.03394	5.2
81.07044	53.8
81.07434	0.8
81.07539	1.7
82.07374	1.3
83.04987	6.8
83.08606	15.4
85.06524	4.0
87.04441	1.3
91.05463	39.1
91.06035	2.1
93.07034	99.1
95.04948	11.1
95.08592	46.4
97.02874	1.9
97.06516	7.0
97.10154	5.6
99.04472	1.3
99.08045	1.7
105.04506	2.0
105.07019	27.2
107.04931	1.4
107.08580	60.6
109.06509	6.4
109.10148	18.7
111.04426	1.6
111.08079	8.0
117.07000	3.3
119.08566	20.1
121.06539	1.5
121.10132	66.1
122.10497	1.6
123.08084	7.1
123.11688	5.3
125.09595	1.2
129.07024	3.2
131.08553	7.0
133.10098	18.8
135.08031	2.9
135.11674	37.4
137.09598	3.9
137.13266	1.8
139.07510	5.0
139.11168	3.5
143.08537	3.8
145.10069	6.6
147.07974	2.2
147.11646	14.5
149.09587	5.5
149.13240	12.2
151.11171	4.6
153.09108	2.8
157.10146	3.7
157.87917	1.2
159.11633	4.4
161.09644	3.5
161.13228	8.1
163.11192	2.1
163.14807	2.5
167.10674	3.3
171.11662	4.7
173.13202	1.8
175.11200	3.6
177.12706	1.4
179.10683	1.9
179.14284	1.6
181.12332	1.4
185.13252	2.9
189.12750	3.7
189.16214	1.7
192.36417	1.3
193.12198	2.4
199.14812	2.2
203.14407	2.1
203.17957	2.0
205.12244	1.3
207.13777	5.2
214.17795	1.3
217.19521	3.8
221.15311	2.3
221.18944	1.4
227.17938	4.1
235.20540	3.2
245.19026	8.9
245.22737	1.9
263.08185	1.8
263.20047	100.0
263.23413	4.4
264.20422	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	263.2003
Annotation	3-Acetoxy-E-gamma-Bisabolene
Peak:m/z	Relative Intensity
53.03939	4.7
55.01861	1.9
55.05509	16.9
55.27187	1.5
56.96546	3.3
57.03422	2.1
57.07056	2.0
57.23985	1.4
65.03928	3.0
67.05500	27.3
67.92918	1.4
69.07053	12.4
71.04989	3.2
71.75345	1.6
79.05485	69.6
81.03420	1.5
81.07050	34.3
83.04957	3.1
83.08607	7.3
91.05473	33.4
93.07036	100.0
95.04960	9.6
95.08585	26.3
97.06509	2.5
97.10149	4.9
105.07030	20.2
107.08582	67.9
109.06498	4.9
109.10157	9.6
110.73026	1.5
111.08022	2.3
117.06998	4.0
119.08562	15.6
121.10131	53.1
123.08047	3.7
123.11735	1.7
127.72366	1.4
129.07013	2.5
131.08553	5.8
133.10120	12.1
135.08000	2.1
135.11679	33.8
143.08485	3.9
145.10132	5.9
147.11671	8.2
149.09552	2.5
149.13240	10.2
157.10144	4.3
159.11728	4.2
161.13203	4.7
163.11156	2.1
163.14914	2.4
171.11641	4.2
173.13234	2.5
175.11060	2.1
177.12750	1.7
185.13199	1.6
189.12843	2.5
199.14754	2.6
207.13676	2.4
221.15320	2.0
227.17845	3.2
245.18996	6.0
245.22682	1.6
263.05389	1.7
263.08160	4.3
263.20035	58.1
281.10562	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2002
Annotation	3-Acetoxy-E-gamma-Bisabolene
Peak:m/z	Relative Intensity
53.03928	5.4
55.01857	4.7
55.05244	1.7
55.05505	29.7
57.03410	5.0
57.07069	2.9
59.04980	2.1
65.03915	2.2
67.05500	67.1
69.03406	6.4
69.07068	21.4
69.08911	1.5
69.42611	11.7
69.43037	7.8
71.04974	6.0
79.05486	53.7
81.03403	3.9
81.07049	47.7
83.04957	5.0
83.08597	11.9
85.06527	3.8
87.58115	1.7
91.05468	30.9
93.07037	75.9
95.04951	13.8
95.07997	3.1
95.08590	45.2
97.02871	5.9
97.06512	5.0
97.10129	8.0
105.07020	25.8
106.69804	1.8
107.04959	1.6
107.08583	46.6
109.06505	8.0
109.10140	34.1
111.08047	3.5
117.06995	6.4
119.08570	20.0
121.06519	2.5
121.10126	40.1
122.10412	1.7
123.08044	5.9
123.11687	6.3
125.09616	5.0
127.11176	1.8
129.06976	3.6
131.08536	5.3
133.10117	16.2
135.08073	3.6
135.11678	31.2
137.09607	13.5
143.08563	3.3
145.10089	7.3
147.08009	3.1
147.11670	12.8
149.09596	3.8
149.13240	9.5
151.11194	3.5
157.10126	4.2
159.11653	5.9
160.54256	1.9
161.13255	5.2
163.11171	2.9
165.09070	2.3
165.12793	2.0
167.10641	1.7
171.11656	6.2
173.11688	5.9
173.13171	1.6
175.11070	1.8
175.14880	2.5
177.12675	2.4
181.12280	1.8
182.02722	1.4
185.13254	3.9
189.12791	2.1
195.13799	4.9
199.14754	2.0
202.16304	1.7
203.17999	1.8
207.13797	3.7
217.15889	1.9
217.19513	5.3
219.73268	1.6
227.17938	5.1
235.20540	1.8
237.64749	1.8
243.34444	1.6
245.18941	13.4
249.21147	1.7
263.08258	5.4
263.20053	100.0
264.20050	2.0
281.12308	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1387
Annotation	L-phenylalanyl-L-proline
Peak:m/z	Relative Intensity
51.86675	0.4
55.05518	0.4
57.44585	0.4
60.04510	0.4
61.85218	0.4
67.05495	1.2
69.03398	0.4
70.06581	38.9
71.06907	0.4
71.54119	0.9
72.08136	0.9
75.46223	0.4
79.05464	0.6
81.07037	0.6
84.04501	0.5
84.08115	1.0
85.02878	0.5
86.09678	1.4
88.66663	0.4
89.57368	0.4
91.05477	1.8
93.07042	2.6
95.04953	0.5
95.08581	0.8
103.05446	6.8
105.03346	0.5
105.06989	0.6
110.07139	1.3
116.07075	79.9
117.07385	1.1
120.08086	100.0
121.08457	1.1
129.10239	0.9
131.08545	0.6
133.10167	0.6
136.07568	0.8
161.02975	0.7
162.04764	0.4
162.91139	0.4
166.89891	0.4
187.07489	0.5
205.08600	0.4
220.13034	0.4
228.71548	0.4
263.05820	0.8
263.13919	8.2
263.16541	0.5
263.23785	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2003
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.7
55.01861	1.9
55.05509	16.9
55.27187	1.5
56.96546	3.3
57.03422	2.1
57.07056	2.0
57.23985	1.4
65.03928	3.0
67.05500	27.3
67.92918	1.4
69.07053	12.4
71.04989	3.2
71.75345	1.6
79.05485	69.6
81.03420	1.5
81.07050	34.3
83.04957	3.1
83.08607	7.3
91.05473	33.4
93.07036	100.0
95.04960	9.6
95.08585	26.3
97.06509	2.5
97.10149	4.9
105.07030	20.2
107.08582	67.9
109.06498	4.9
109.10157	9.6
110.73026	1.5
111.08022	2.3
117.06998	4.0
119.08562	15.6
121.10131	53.1
123.08047	3.7
123.11735	1.7
127.72366	1.4
129.07013	2.5
131.08553	5.8
133.10120	12.1
135.08000	2.1
135.11679	33.8
143.08485	3.9
145.10132	5.9
147.11671	8.2
149.09552	2.5
149.13240	10.2
157.10144	4.3
159.11728	4.2
161.13203	4.7
163.11156	2.1
163.14914	2.4
171.11641	4.2
173.13234	2.5
175.11060	2.1
177.12750	1.7
185.13199	1.6
189.12843	2.5
199.14754	2.6
207.13676	2.4
221.15320	2.0
227.17845	3.2
245.18996	6.0
245.22682	1.6
263.05389	1.7
263.08160	4.3
263.20035	58.1
281.10562	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0607
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96574	0.8
58.99903	0.6
69.03434	0.8
70.04774	3.0
70.06591	0.6
72.08139	0.5
82.99866	1.1
84.04514	2.0
84.08150	1.7
85.02914	1.2
97.02901	1.7
98.21391	0.8
101.00870	14.2
101.01514	0.9
105.00397	1.0
113.00874	3.1
115.02402	0.6
119.01906	38.4
120.01970	0.8
130.04971	0.6
131.01883	21.1
133.03485	1.4
134.04570	0.6
137.02921	5.2
142.03487	0.8
143.01880	37.2
145.03401	1.3
149.02939	4.2
151.75922	0.5
155.01892	12.3
155.37743	0.5
157.03445	1.9
161.02937	100.0
162.03058	1.6
173.02933	33.9
174.03021	0.6
174.04500	0.8
175.04559	0.7
179.02472	0.7
179.03906	3.3
184.04538	5.8
185.02910	5.0
191.03984	21.4
196.04437	1.5
197.02983	1.0
203.03984	16.1
209.05096	0.9
214.05580	0.9
215.03954	1.3
221.05052	4.3
233.04951	1.7
239.06012	2.1
245.05017	1.0
263.06030	19.9
263.12338	1.9
263.15268	0.6
281.07062	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0612
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03914	0.7
53.62624	0.8
55.01841	1.1
55.05490	2.6
56.05012	0.9
56.96564	11.9
57.03405	2.5
60.04507	1.6
61.02904	2.1
66.76314	0.6
67.05476	2.0
69.03414	3.1
69.77019	4.6
70.06592	11.6
70.98086	1.2
71.04958	1.4
72.08170	3.9
73.02901	2.1
73.06528	0.6
74.06059	1.6
77.00880	0.8
79.05450	1.0
80.88073	0.6
81.03413	5.2
81.07047	1.1
82.99821	1.0
83.06101	0.8
84.04469	3.1
84.08138	7.7
84.96013	1.0
85.02898	4.9
86.06104	0.7
86.09707	5.2
89.00886	0.9
91.05415	1.3
95.01913	0.8
95.06063	0.8
95.08575	1.0
97.02885	5.8
98.97571	10.8
99.04464	4.0
101.00864	14.3
101.06005	1.8
102.05509	1.5
103.02425	1.3
105.07027	1.6
107.04911	0.9
109.02868	3.6
109.10128	1.0
110.07141	4.3
112.08707	0.9
113.00867	2.2
116.07105	5.3
116.98609	7.5
119.01912	48.5
119.04931	1.1
120.02024	0.9
120.08065	0.9
123.07971	0.9
125.18590	0.7
127.03905	2.2
128.02261	0.8
128.98579	1.7
129.10237	1.2
131.00237	1.4
131.00986	1.0
131.01900	17.0
133.01697	1.0
133.03468	1.7
134.99654	4.9
136.07590	0.8
137.02943	8.4
139.02466	0.8
142.03459	1.7
142.06889	1.0
143.00189	1.3
143.01886	30.4
144.01987	0.9
145.03432	3.3
146.99588	1.2
149.01190	1.6
149.02982	4.2
155.01872	8.1
156.07712	0.9
157.03511	5.4
158.99660	2.4
160.04675	1.2
160.07890	1.2
161.02946	100.0
162.03116	2.1
162.99019	1.4
163.02740	0.9
163.04507	1.1
167.01976	1.8
173.01511	1.1
173.02946	24.1
175.03008	0.8
175.04506	3.7
177.00719	2.7
179.04063	3.6
184.04570	6.6
185.01244	1.2
185.02936	6.1
187.04475	0.8
188.97084	1.2
189.00673	0.8
189.05542	1.0
191.02333	1.1
191.03970	16.8
193.00125	1.1
196.04491	1.1
197.03000	1.8
200.65112	0.8
203.02370	0.9
203.03998	20.1
209.06725	1.2
213.04468	0.8
214.05536	2.1
215.04076	1.3
219.01765	1.1
221.05064	6.1
233.05057	1.7
237.02809	1.9
239.02216	2.9
239.06137	3.2
244.06825	1.4
244.09843	0.7
245.05084	2.2
245.12051	0.9
245.22632	0.8
246.08719	1.2
251.04286	1.6
251.54657	0.9
255.03693	1.3
257.03375	1.5
260.04733	0.8
263.06161	43.0
264.06290	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0611
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96550	1.0
57.07074	0.5
58.70737	0.5
58.99845	0.5
59.69831	0.5
67.05498	1.6
69.03419	1.2
70.18996	1.7
70.19403	0.9
71.89455	0.4
73.02917	0.9
77.00899	1.4
79.36227	0.5
81.07036	1.2
82.99863	1.7
91.05463	0.7
94.99811	0.7
95.01931	0.9
95.08608	1.1
97.02881	2.7
98.97568	1.5
101.00868	13.0
102.96844	2.1
103.00649	0.6
105.07049	0.6
109.10136	0.7
112.73917	0.6
113.00832	3.0
116.98604	2.4
119.01909	54.3
120.01989	1.0
120.97865	1.8
121.01653	2.4
131.01889	23.7
131.08559	0.8
133.03453	1.2
134.99658	1.3
137.02951	12.1
137.78806	0.6
138.98933	1.8
139.02602	0.9
142.03514	1.6
143.01881	29.5
145.03452	3.6
149.02921	6.1
154.03441	1.1
155.01869	10.5
157.03467	4.8
158.99854	0.6
159.01347	0.7
160.04587	1.0
161.02946	100.0
162.03116	1.2
163.04564	0.7
164.31335	0.5
167.01877	2.3
173.02950	27.4
174.03276	0.7
175.04517	2.9
177.00854	2.1
178.01007	1.2
179.00688	10.1
179.03990	3.7
184.04564	6.9
185.02965	12.3
187.04453	0.6
191.03999	23.9
196.04576	1.9
197.02954	5.0
203.00958	0.7
203.03990	15.9
204.04176	0.7
214.05615	2.7
215.04056	4.0
219.01952	1.5
219.03873	1.4
220.01909	0.7
221.01758	12.9
221.04962	4.5
223.01616	0.8
227.00957	1.0
231.02037	0.9
233.05063	2.4
239.05997	3.0
239.98537	1.5
245.01840	5.2
245.04982	1.3
258.02966	0.6
261.03159	1.2
263.02902	64.6
263.06113	43.4
264.03000	2.0
264.06042	0.9
281.00031	1.1
281.07336	0.8
282.03000	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0161
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69194	23.8
58.54856	20.8
61.23549	21.7
62.27041	22.8
71.73029	36.0
71.73364	24.4
101.00881	51.6
119.01888	67.7
131.01776	27.1
143.01906	61.4
161.02951	87.4
173.02815	31.7
203.47858	29.5
263.01572	100.0
263.06116	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	263.0608
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96582	0.8
69.03413	1.0
69.43742	5.3
70.06603	1.3
71.06926	0.5
73.02912	1.3
78.37592	0.5
79.64041	0.5
82.99861	1.4
84.04512	1.6
84.08159	1.5
85.02904	0.8
90.41547	0.5
94.99841	0.6
97.02904	0.9
101.00866	14.7
113.00856	4.2
115.02421	0.6
119.01912	40.6
120.02007	0.7
131.01894	20.4
133.03487	0.7
137.02930	4.9
142.03465	1.2
142.51895	0.5
143.01883	36.7
144.01973	0.7
145.03467	1.4
149.02953	4.0
154.03499	0.6
155.01869	11.4
157.03474	1.9
161.02943	100.0
162.03101	1.6
173.02953	33.7
175.04590	0.9
179.04025	2.6
184.04543	5.5
185.02916	4.5
191.02287	1.0
191.03993	20.3
196.04506	1.5
197.02972	1.5
203.03992	18.2
214.05562	1.2
215.03915	1.0
221.05049	4.8
233.05009	1.8
239.06152	2.4
245.04918	1.0
263.06036	21.2
263.12225	1.1
281.07181	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	262.18
Annotation	Phlegmariurine A
Peak:m/z	Relative Intensity
53.39892	0.3
67.05492	0.7
69.50577	3.6
70.06571	0.6
72.08144	0.5
75.18128	0.3
79.05496	0.5
81.07056	0.6
84.08107	0.6
87.04462	29.1
91.05445	0.5
94.07339	0.4
100.84934	0.4
105.07047	0.5
106.07358	0.4
107.08593	0.5
116.04110	0.4
118.06536	13.2
119.08532	0.4
120.08115	0.5
131.08522	0.6
132.08064	4.0
132.10175	0.6
133.08836	1.6
134.09604	0.8
146.09619	3.7
147.10422	0.5
150.11208	0.4
176.14331	77.5
177.14671	1.3
178.28792	0.4
216.10439	0.4
224.78265	0.3
262.18005	100.0
263.18344	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	262.1801
Annotation	Phlegmariurine A
Peak:m/z	Relative Intensity
53.34621	0.4
57.07077	0.5
60.75309	0.4
69.03418	0.4
69.46248	2.2
69.46681	1.9
70.06585	2.0
71.08659	0.6
84.08122	0.5
87.04462	29.5
87.13103	0.4
88.07639	2.1
97.79065	0.4
98.21491	0.8
114.09151	0.7
118.06535	12.3
119.07262	0.4
123.93021	0.4
132.08061	3.4
132.10188	2.9
133.08891	2.3
134.09633	1.3
146.09599	3.7
147.10417	0.6
150.11288	2.3
160.11183	0.6
176.14337	72.5
177.14684	1.0
218.11797	0.7
218.21123	0.8
262.18015	100.0
262.23767	15.4
263.18243	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	262.1647
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36740	0.3
53.03920	0.8
55.01853	1.3
55.05505	3.6
56.05028	3.4
57.03415	0.8
58.06582	1.3
58.99575	0.4
59.48007	0.3
62.06064	0.4
62.33279	0.3
64.23096	0.3
67.05197	0.5
67.05499	6.4
68.05019	1.7
69.03395	0.4
69.07063	1.9
70.02965	1.9
70.06585	14.6
71.04987	3.5
71.65538	0.7
72.04499	0.6
72.08149	2.1
74.00642	0.4
76.03967	1.0
79.05485	7.9
80.04996	1.0
81.07048	11.6
82.05272	0.4
82.06570	3.7
83.04956	1.3
83.06081	0.4
83.08582	1.5
84.04489	4.2
84.08139	2.8
85.02850	0.7
85.06499	0.5
86.09680	1.1
87.04416	0.6
88.03435	0.8
88.03983	16.2
91.05470	3.3
93.07037	9.0
94.06559	0.5
95.04935	1.1
95.06074	1.0
95.08604	5.9
96.04458	1.0
96.08097	1.4
97.02816	0.5
97.06503	1.4
98.06020	0.7
98.09688	0.6
103.05428	1.7
105.07008	1.4
107.04950	3.4
107.08595	3.4
109.06485	0.8
109.10155	1.3
110.06010	1.1
110.09658	0.6
110.35919	0.4
110.91544	0.3
111.04446	0.8
112.11234	0.6
113.05960	0.4
114.05530	0.4
116.01677	1.0
116.06278	0.7
116.07079	13.9
117.06976	0.9
118.06461	0.5
119.08571	1.6
120.08090	19.5
121.06504	0.8
121.10130	7.4
122.09594	0.4
123.08065	1.1
123.11689	0.6
125.09581	0.5
127.10065	0.4
127.11102	0.3
129.06976	0.6
130.04953	0.6
130.06506	2.1
131.08545	3.1
135.11667	2.0
136.07567	0.5
137.09634	0.5
137.53595	0.4
138.12766	9.5
139.11154	0.7
145.06456	0.7
145.10112	3.4
147.04399	1.7
148.11176	1.6
149.09598	3.5
152.07054	0.5
152.14297	1.3
155.08434	0.6
156.13797	0.6
158.06000	1.1
159.08168	0.5
162.02164	0.4
163.11145	3.3
166.12262	17.2
167.10648	0.7
170.05856	0.4
173.09668	2.1
175.07471	0.4
180.13855	1.9
181.12238	0.6
182.15392	13.3
184.13312	100.0
185.13620	1.2
191.10637	3.2
192.99374	0.6
198.14874	0.8
199.27763	0.4
200.16490	1.0
202.08598	0.4
202.14384	6.1
208.13275	6.4
209.11687	1.0
216.10400	0.6
217.16016	0.4
219.74478	0.4
226.14365	18.9
227.12743	0.9
244.09734	2.4
244.15433	7.7
262.10718	3.0
262.14499	1.6
262.16498	34.7
263.11484	0.4
263.13950	1.7
263.16663	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	262.1186
Annotation	7360-09-0
Peak:m/z	Relative Intensity
53.64240	1.4
54.55054	1.2
55.05495	2.0
56.05027	2.5
57.07082	1.5
60.04495	2.2
61.45208	1.2
63.77145	1.3
69.79092	1.2
69.79411	10.2
70.06583	11.7
72.08138	9.5
74.06084	1.7
76.81770	1.1
81.03408	1.2
83.12057	1.3
84.04473	2.6
84.08122	13.0
85.04015	18.3
86.09707	5.9
87.10027	1.3
88.03999	1.6
91.05468	6.1
98.21465	1.5
98.97590	2.5
103.05432	1.3
105.07034	1.4
110.07144	4.3
115.05389	1.6
115.08677	1.3
116.05276	1.9
118.06533	17.4
118.94909	1.1
119.04920	2.4
120.08052	4.2
129.10191	4.6
130.06514	21.5
130.08632	2.5
132.08070	42.6
136.07581	5.9
138.05455	1.3
142.06497	3.6
143.07277	1.8
144.08072	14.4
146.05989	57.3
147.04420	2.1
147.11243	2.1
158.06029	2.3
158.08273	1.7
159.09154	16.3
160.07588	2.2
169.07678	1.9
170.05981	14.2
171.09148	5.4
175.11914	1.7
181.07567	2.6
187.08652	6.1
188.07040	100.0
189.07394	2.5
198.10204	2.4
199.08672	2.9
205.09695	27.1
216.11292	20.1
244.10872	6.5
262.11548	8.0
262.14478	4.9
267.54550	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	262.1105
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.1
55.01852	3.0
55.05279	1.1
55.05505	13.6
56.05022	4.7
57.03419	1.4
58.99581	14.4
60.04515	1.0
62.06078	2.3
65.03914	0.9
67.05475	3.3
69.03432	1.0
69.07043	1.6
70.06570	5.8
71.74386	1.1
72.08144	7.2
73.02916	1.2
74.00652	3.2
76.02207	2.5
76.03976	1.4
79.05492	4.6
80.05003	1.1
81.03409	0.8
81.07049	11.4
83.08601	6.3
84.04478	1.9
84.08121	5.9
85.01113	7.4
85.02897	1.9
86.00642	34.2
86.09702	5.3
86.99036	7.2
87.02675	8.4
88.02194	3.0
88.03981	2.3
91.05450	2.9
93.06996	1.7
94.06584	1.1
95.08574	4.9
96.08100	1.7
98.09686	7.1
99.04463	1.3
101.04233	1.3
105.06990	1.8
107.04945	1.8
110.07134	3.7
110.09660	2.4
112.11232	1.1
113.04223	11.1
116.01670	18.1
116.07057	4.0
118.01199	1.0
119.04898	2.1
120.08096	10.2
121.08479	1.2
122.02740	1.2
122.09634	4.0
122.39898	0.9
123.08038	1.9
125.02310	1.4
129.07333	8.4
129.10254	0.9
130.06555	2.7
130.08665	1.0
132.01135	40.1
132.02138	2.2
139.05727	2.9
144.01154	5.7
146.02686	1.3
147.04396	5.6
147.41934	0.9
156.08401	52.7
157.08682	1.1
159.04745	22.6
159.08301	1.1
162.02184	10.9
163.27588	1.0
164.07394	1.2
180.13698	0.9
184.50685	0.9
185.06355	1.3
192.03192	1.0
198.09454	17.2
198.14694	1.3
202.08948	100.0
216.10509	63.6
237.13428	1.0
244.09915	4.7
262.11026	50.1
262.14160	2.5
279.05038	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	262.1183
Annotation	Glycyltryptophan
Peak:m/z	Relative Intensity
56.96559	2.8
67.05464	3.4
69.03432	2.6
69.07045	3.6
70.06573	9.0
71.71425	5.2
74.02430	2.6
74.88731	2.5
79.05531	2.6
84.04489	7.3
84.08139	12.3
84.93147	2.8
85.02898	10.3
85.08472	2.5
85.19308	3.1
86.09692	13.4
87.10017	5.7
91.05480	3.9
97.02856	7.5
102.05520	3.2
102.09187	5.6
103.09515	4.8
115.05423	5.2
117.05724	7.1
118.06548	13.3
120.08102	7.1
127.25837	2.4
129.06990	7.0
130.05051	14.8
130.06508	97.9
131.07246	3.6
132.08090	6.9
133.07555	6.0
134.06029	5.0
134.09634	11.1
135.71545	2.3
136.07549	2.9
142.06470	3.9
143.07297	9.4
144.08099	22.6
145.07561	6.7
146.05994	18.5
147.04333	3.6
147.09213	4.4
148.07552	6.4
154.06543	10.5
156.06853	5.6
156.08035	24.0
157.07593	100.0
158.05997	64.8
158.08138	12.0
159.06685	2.8
159.09218	12.2
160.07607	9.2
161.07086	5.7
169.07608	4.1
170.05989	5.9
170.09676	3.9
171.09152	26.7
172.07553	16.7
173.07129	14.1
175.08667	13.0
180.08018	3.7
181.07603	6.3
182.05952	6.0
183.06677	3.1
183.09209	6.5
184.07593	5.1
185.07108	29.4
187.08672	6.1
188.06987	4.5
188.09453	4.0
189.10275	12.5
198.10236	13.7
199.08621	22.7
200.07074	9.6
200.11742	3.0
201.10246	11.4
203.08142	92.9
204.06572	3.0
204.08540	3.3
207.29771	2.7
209.07086	5.6
216.11372	22.9
217.09796	6.7
227.08138	35.3
227.12000	2.4
244.09540	32.3
245.09213	38.4
247.94133	2.5
262.11310	50.8
262.14569	4.6
262.18378	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	262.1073
Annotation	Antrocinnamomin B
Peak:m/z	Relative Intensity
55.01869	1.1
55.90973	0.4
56.96555	0.6
57.03422	0.7
57.20134	0.5
68.89379	0.5
70.06599	1.0
70.52966	1.8
70.53304	0.5
72.08154	0.9
73.02929	1.1
77.03912	0.5
81.03409	1.2
84.08131	1.0
85.02887	0.9
91.05500	0.6
97.02872	1.4
98.97539	0.8
99.04440	0.5
103.05466	1.2
115.05491	1.2
117.05743	1.9
117.07009	0.7
118.06527	11.1
120.08101	0.6
129.06987	1.2
130.06517	59.5
131.04901	2.0
132.08081	5.1
141.56828	0.7
142.06458	0.7
143.07286	1.2
144.04381	0.6
144.08052	3.1
146.05975	5.3
146.06891	0.6
147.04420	0.7
147.18880	0.5
153.07024	0.6
154.06502	2.2
155.07350	0.9
156.08054	2.4
158.06003	100.0
159.06383	1.8
160.07555	12.8
168.08090	2.0
170.05991	5.8
170.09628	2.5
171.06734	2.1
172.07576	4.4
180.08069	1.9
183.06755	0.7
184.07529	1.4
186.09050	0.6
188.07030	9.6
196.07611	1.0
198.06187	0.6
198.09085	3.0
198.36787	0.5
208.07541	1.0
214.08542	0.7
226.08624	2.2
244.09683	10.2
262.10736	89.1
263.10992	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	262.1073
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96577	0.2
57.03420	0.8
61.02924	1.0
68.47824	0.2
69.03419	0.4
69.93099	0.5
69.93492	0.4
70.06580	0.5
71.01347	0.3
73.02911	10.2
84.08119	0.6
85.02899	0.7
86.09671	0.2
87.04424	0.2
90.18913	0.2
91.05457	0.3
93.06994	0.2
95.04937	0.3
97.18515	0.2
103.05452	0.7
110.07118	0.2
115.03911	0.6
115.05410	0.2
120.08095	0.4
130.06516	100.0
130.86452	0.2
131.04961	0.2
131.06841	1.4
142.06505	0.2
144.08081	0.7
146.05937	0.2
158.06021	0.2
159.06429	0.2
170.06027	0.8
172.07576	0.4
187.07509	0.2
198.09169	0.4
202.08614	0.4
216.10274	0.2
225.78828	0.2
262.10760	3.9
262.14505	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2211
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
50.43725	1.2
53.03929	5.0
55.01117	1.1
55.01854	1.3
55.05502	14.5
57.03424	2.9
57.07054	2.5
65.03915	3.0
67.05135	2.4
67.05498	47.3
69.07063	14.5
71.04992	2.6
71.08614	1.7
71.15432	2.4
76.72343	1.3
79.05485	58.3
81.07045	48.0
83.04954	2.0
83.08606	8.5
84.54860	1.2
85.06507	5.4
91.05467	27.1
93.07034	84.6
94.07383	1.4
95.04951	5.4
95.08598	37.8
97.06532	3.4
97.10181	1.6
99.08070	5.3
102.22964	1.2
103.05450	1.8
105.07020	19.3
107.08586	52.0
109.06503	2.9
109.10137	16.9
111.08080	3.0
113.09621	1.7
117.07018	8.3
119.08562	16.9
121.10133	45.7
123.11678	6.1
125.09573	1.7
127.03835	1.2
131.08565	17.4
133.10124	14.2
135.08047	1.3
135.11678	38.2
137.09561	2.6
137.13223	2.0
145.10104	15.6
147.11679	11.5
149.09596	1.8
149.12105	1.8
149.13242	31.2
149.53787	1.3
151.11189	1.9
159.11653	11.3
159.80272	1.3
161.13235	14.9
163.14796	20.1
163.87022	1.6
173.13229	12.1
175.14832	5.0
177.16365	6.2
179.14279	1.7
187.14807	8.1
191.14171	1.6
201.16350	4.0
219.17549	1.5
243.21080	32.6
247.11821	1.6
257.03790	1.3
261.03903	8.0
261.12833	1.8
261.22116	100.0
262.14435	6.7
262.22418	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2211
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
52.51398	0.9
53.03928	3.0
55.05506	13.0
57.03418	1.5
57.07060	4.0
65.03927	1.8
67.05496	43.0
69.07059	11.7
70.07358	1.7
70.07766	3.1
71.04977	2.3
71.08607	1.8
77.03898	1.0
79.05485	57.2
81.07048	50.1
81.07533	2.0
83.08613	6.7
85.06503	4.7
91.05467	26.2
93.07033	76.5
95.04958	5.3
95.08597	35.3
96.08931	1.6
97.06508	3.4
97.10175	3.0
99.08080	3.8
105.04456	1.1
105.07014	20.3
107.04927	1.1
107.08580	43.2
109.06493	2.7
109.10159	15.8
111.08049	2.2
113.09632	1.5
117.07021	5.4
119.08562	16.4
121.10131	40.9
123.08047	2.1
123.11674	4.1
125.09610	1.1
131.08559	15.7
133.10109	12.1
135.08041	1.3
135.11679	33.4
137.09633	1.8
137.13225	1.1
139.11049	1.2
145.10106	15.4
147.11674	11.1
149.02414	1.1
149.09599	1.5
149.12100	1.7
149.13243	24.7
151.14804	1.2
154.24115	1.0
159.11697	10.3
161.13235	11.7
163.14809	17.9
164.32661	0.9
173.13269	11.5
175.14809	5.6
177.16386	4.9
179.14331	2.5
187.14815	7.2
201.16399	2.4
203.17924	1.2
215.17932	1.0
233.22554	1.8
243.21049	26.9
261.03870	3.6
261.07562	0.9
261.22113	100.0
262.22485	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.221
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85931	0.4
51.02381	0.8
51.53072	0.4
52.35148	0.5
53.03938	2.1
55.01873	0.8
55.05236	0.7
55.05504	15.4
57.03424	1.7
57.07066	4.7
60.82278	0.6
65.03924	1.6
67.05498	45.2
68.05833	0.5
69.06680	0.8
69.07062	13.9
71.04979	3.4
71.08627	2.1
71.74821	0.7
71.75267	0.6
77.03890	0.7
78.04647	0.5
79.05485	60.0
81.03412	0.6
81.07047	54.4
83.04971	0.9
83.08602	6.7
85.06546	4.0
85.10179	0.8
91.05470	29.1
92.62799	0.5
93.07035	79.9
94.07359	0.9
95.04958	7.4
95.08596	38.4
96.08888	0.6
97.06532	3.8
97.10143	2.8
97.43475	0.5
99.08083	3.7
103.05450	0.9
105.04498	1.3
105.06456	0.3
105.07017	22.0
107.08580	51.5
108.08942	0.8
109.06492	2.7
109.10152	14.8
111.08089	2.8
111.11707	0.5
113.09647	1.5
117.07022	8.0
119.08572	15.9
121.06493	0.9
121.10130	46.5
123.08047	1.8
123.11694	4.9
127.11221	0.6
129.07025	0.8
130.07835	0.6
131.08551	17.8
133.10117	14.4
135.08096	1.2
135.11676	36.4
137.09587	2.0
137.13272	1.2
139.11162	0.7
143.08563	1.1
144.09352	0.5
145.10107	16.3
147.11670	12.7
149.09625	0.9
149.13245	28.9
150.13550	0.6
151.11153	1.2
151.14893	0.5
153.12666	0.7
159.11685	12.6
161.13243	12.8
163.11150	0.8
163.14803	21.3
164.15163	0.6
165.12717	1.4
173.13248	10.3
175.14809	5.4
177.12779	0.6
177.16345	5.4
179.14348	1.9
185.13136	0.5
187.14807	8.1
189.16466	0.7
191.14314	0.8
201.16374	3.7
203.17935	0.6
205.04909	0.6
205.15866	0.8
215.17944	2.6
215.98299	0.5
217.19484	0.9
219.17462	1.1
233.04370	0.8
233.22633	1.8
243.21059	32.8
244.21332	1.3
261.03986	1.9
261.22113	100.0
262.14404	0.7
262.22437	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2212
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
51.37481	1.1
53.03931	2.8
54.05799	1.4
55.01854	1.3
55.05501	14.6
57.03430	2.4
57.07055	5.1
65.03915	2.1
67.05499	47.3
69.07062	14.7
71.04978	3.5
71.08611	1.3
71.15070	1.7
71.15403	2.2
75.39236	1.2
79.05486	61.8
81.03395	1.1
81.07049	53.6
82.04483	1.1
83.04965	2.2
83.08613	8.9
85.06536	5.0
88.70830	1.2
91.05474	34.0
93.07035	80.3
95.04971	6.5
95.08595	41.2
97.06517	3.8
97.10137	2.7
99.08052	3.6
105.07025	22.3
107.08584	51.5
109.06484	2.5
109.10147	15.0
111.08076	3.6
113.09636	1.6
115.40150	1.2
117.06991	8.4
119.06003	1.1
119.08557	16.4
120.03477	1.1
121.06538	1.1
121.10133	50.1
123.08064	3.3
123.11725	6.0
129.06993	1.3
131.08557	18.4
133.10109	16.2
133.97620	1.3
135.11687	38.5
137.09581	2.0
137.13210	2.4
138.61086	1.1
145.10121	16.2
147.11662	13.5
149.09607	1.7
149.13255	29.8
159.08060	1.3
159.11673	10.9
161.13249	12.6
163.14818	22.0
173.13266	10.7
175.14822	5.9
177.16368	6.7
179.14330	1.7
187.14783	8.2
201.16429	3.2
205.04976	2.7
215.17918	1.6
219.17358	2.5
233.04497	1.4
233.22685	1.6
243.21080	34.4
261.03912	6.7
261.07156	1.0
261.13010	3.0
261.22122	100.0
262.14377	1.8
262.22409	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2208
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	3.8
55.01845	1.6
55.05238	1.0
55.05496	17.8
57.03414	1.4
57.07063	5.1
62.62773	0.7
65.03912	2.1
67.05492	41.4
69.07052	13.8
69.52264	4.3
69.52695	2.8
71.04954	2.7
71.08609	1.4
75.79885	0.8
78.16579	0.7
79.05473	59.4
81.07035	52.2
83.04971	1.0
83.08597	7.2
85.06512	3.4
91.05459	30.3
93.07022	77.9
94.07345	0.8
95.04954	5.2
95.08582	36.4
97.06496	2.9
97.10137	2.9
97.65956	0.7
98.20840	2.4
99.08064	4.1
105.04450	1.2
105.06326	1.2
105.07007	20.6
107.08566	52.2
109.06475	2.7
109.10133	16.3
111.08063	4.1
113.09592	1.9
117.06988	7.8
119.08552	15.9
121.10114	43.4
123.08025	2.3
123.11665	5.8
125.09534	1.2
129.06952	0.9
131.07635	1.4
131.08537	15.3
133.09163	1.1
133.10101	14.0
135.08072	1.0
135.11661	36.2
136.12009	1.0
137.09561	1.8
137.13156	0.9
145.10092	15.5
147.11653	11.0
149.13217	30.6
151.11223	1.4
151.14828	0.9
159.11653	12.2
161.13219	11.6
163.14778	19.9
165.12691	1.0
173.13219	11.4
175.14761	4.8
177.16338	5.9
179.14262	2.5
187.14783	8.4
189.16351	1.1
201.16341	3.1
203.18031	0.8
205.15869	1.2
214.32661	0.8
215.17937	1.5
219.17461	1.1
233.22610	2.1
243.21025	32.9
244.21321	1.6
261.03882	2.1
261.22086	100.0
262.22440	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	261.221
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.1
55.01858	1.0
55.05272	0.9
55.05508	15.2
57.03432	2.0
57.07073	4.8
65.03930	1.6
67.05496	46.0
69.07059	13.7
71.04955	2.6
71.08624	1.4
71.75510	1.0
71.75886	0.8
79.05485	65.0
81.03389	0.9
81.07046	53.8
83.04975	1.3
83.08611	7.5
83.53081	0.7
84.08796	0.8
85.06541	3.7
91.05468	31.1
93.07033	84.8
94.07317	0.8
95.04964	7.7
95.08597	39.6
95.44818	0.8
97.06508	4.4
97.10142	2.4
98.21148	0.8
99.08067	5.0
105.04453	1.6
105.07022	22.9
107.08580	52.6
108.08894	0.9
109.06512	2.1
109.10138	14.5
111.08055	5.2
113.09636	1.4
117.07011	7.3
119.08574	16.5
121.02883	1.0
121.06455	1.1
121.10131	49.1
123.08027	2.8
123.11691	5.7
125.09635	1.7
131.08556	19.3
133.10114	14.1
134.10452	0.7
135.11676	38.3
137.09561	1.6
137.13245	2.3
137.20880	0.7
138.31087	0.7
145.10114	16.4
147.11661	14.7
147.68910	0.8
149.09674	1.3
149.13234	31.3
151.11115	1.3
151.14803	0.9
153.12758	1.4
153.86946	0.7
159.11682	11.9
161.13240	15.0
163.11249	1.7
163.14801	22.5
165.12778	1.0
173.13252	12.7
175.14827	4.4
177.16351	6.3
179.14293	2.5
187.14806	8.9
189.16371	1.1
191.18025	0.7
201.16331	3.5
205.15872	1.0
215.17953	2.0
216.93266	0.7
217.19498	1.0
219.17354	1.3
233.04431	1.4
233.22745	0.8
237.96997	0.8
243.21056	38.3
244.21295	0.9
261.03955	4.0
261.22110	100.0
262.14413	5.6
262.22479	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	261.221
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
53.01252	2.3
53.03930	3.8
55.05492	9.7
57.07055	6.3
57.26138	2.4
57.67944	2.1
67.05503	32.4
69.07056	10.5
69.28575	2.6
70.77203	9.2
72.70465	2.5
79.05489	41.4
81.07052	41.7
83.04945	3.1
83.08605	7.9
84.01952	2.3
85.06525	6.3
91.05469	30.9
93.07040	47.6
95.04966	4.1
95.08598	36.5
97.06513	4.1
97.10174	2.4
99.08078	4.5
105.07030	21.2
107.08592	30.8
109.06487	3.8
109.10154	15.8
111.61326	2.3
117.07002	10.3
119.08568	17.9
121.10162	28.4
123.08032	3.1
123.11720	3.7
131.08563	27.2
133.10121	16.4
135.07976	2.9
135.11684	24.8
137.08154	2.8
137.09595	3.9
137.13316	2.8
145.10101	24.9
147.11676	20.8
149.13264	14.1
151.11189	3.3
159.11697	14.2
159.72791	2.9
161.13280	16.6
163.03920	3.2
163.11121	3.7
163.14836	15.2
173.13260	21.7
175.14838	5.1
177.05504	2.4
177.16379	8.2
187.14804	12.2
201.16388	9.3
205.04991	5.4
233.04443	3.6
243.19156	1.4
243.21077	69.7
261.03821	16.5
261.22113	100.0
262.14294	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	261.2211
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19813	2.9
53.03959	3.7
55.05498	11.5
56.29024	2.9
57.03430	3.6
57.07061	10.3
64.24948	2.6
67.05495	50.3
69.07065	19.7
71.04988	3.1
71.08605	4.1
71.75513	4.1
79.05486	79.7
81.07047	59.5
83.08611	8.7
85.06541	4.8
91.05471	38.2
93.07036	100.0
95.04941	9.5
95.08597	36.6
97.06547	6.6
97.10167	3.6
99.08115	9.0
100.16332	3.1
105.07018	29.3
107.08593	60.9
109.06493	4.0
109.10154	13.5
112.36697	2.9
117.06993	11.8
119.08581	16.6
121.10134	46.7
123.11667	6.5
123.51733	2.9
131.08572	21.8
133.10139	12.9
135.11684	32.1
145.10115	16.2
145.30672	3.1
147.11732	10.7
149.09671	3.0
149.13228	22.7
157.10132	3.1
159.11691	12.2
161.13255	11.1
163.14807	18.0
173.13289	14.3
175.14801	3.6
177.16328	7.5
187.14772	7.4
205.05020	4.3
243.21056	31.9
261.03918	21.0
261.12973	6.6
261.22034	83.5
262.14529	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	261.1846
Annotation	(-)-Tochuinyl acetate
Peak:m/z	Relative Intensity
50.99896	1.3
55.01856	3.2
55.05503	21.9
57.07052	2.8
59.04985	4.5
67.05502	10.6
69.03419	1.7
69.07054	10.6
69.65916	11.7
71.04980	2.4
79.05474	11.6
79.67679	1.4
81.06609	2.3
81.07049	31.8
82.28091	1.4
83.04967	4.7
83.08593	1.5
85.06532	4.7
91.05469	17.9
92.05812	1.5
93.07027	22.3
95.04964	3.0
95.08579	13.9
97.06519	2.5
99.04428	8.9
101.05968	7.0
105.07015	76.9
107.04961	1.5
107.08572	19.3
109.06515	3.6
109.10158	10.6
117.06994	7.0
119.04861	1.8
119.08562	70.3
121.06494	2.6
121.10130	31.6
122.06001	2.3
123.11663	1.7
129.06955	1.8
131.08559	12.3
133.06450	1.9
133.10106	14.3
135.07999	2.6
137.09593	1.6
143.08543	6.4
145.06622	1.6
145.10118	34.8
146.10802	1.7
147.11673	63.8
149.09615	5.1
149.13206	1.8
153.09102	2.3
155.08551	3.4
157.10123	5.6
159.07970	1.7
159.11702	13.1
160.12416	3.6
161.13217	10.9
166.57877	1.3
167.10632	2.8
169.10074	8.7
171.03163	4.8
171.11662	3.9
173.09561	2.7
173.13226	5.6
178.15958	1.7
179.16177	3.5
181.12195	2.5
183.11652	3.8
187.11162	5.3
197.13185	2.7
199.14767	3.0
201.12721	3.5
201.16394	15.3
202.12257	1.7
203.13058	6.0
205.12253	3.9
206.08073	3.3
215.14272	3.0
225.16354	12.6
232.09610	4.2
243.13420	13.2
243.17386	10.9
244.12756	6.1
246.11264	14.6
247.11961	10.9
261.03876	4.8
261.11575	4.0
261.18475	100.0
261.21930	3.4
262.14355	85.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.1847
Annotation	Nocarasin A
Peak:m/z	Relative Intensity
53.03925	3.6
55.01874	7.8
55.05277	1.3
55.05508	17.4
57.03418	4.5
57.07066	1.5
65.03919	4.5
66.11156	1.1
67.05499	75.1
69.03406	4.5
69.07069	17.7
71.04978	2.5
71.73169	2.1
77.03927	1.5
79.05488	34.5
81.03394	4.7
81.07050	39.2
83.04972	8.3
83.08598	7.2
85.06530	1.7
91.05471	52.1
91.59499	1.4
93.07038	39.6
95.04960	69.0
95.08598	27.3
97.06512	4.5
97.10147	2.1
99.08064	1.9
103.05447	3.3
105.07021	55.8
107.04939	14.0
107.08579	24.9
109.06503	12.5
109.10158	7.7
111.08047	2.8
115.05429	1.3
117.07006	12.7
117.38534	1.2
119.04927	1.2
119.08567	38.0
121.06507	12.9
121.10133	13.7
123.08073	7.8
123.11710	3.1
129.06979	5.2
131.04907	1.3
131.08562	18.3
133.06470	4.1
133.10104	28.7
135.08043	10.5
135.11667	8.8
137.05919	3.1
137.09596	5.1
141.07022	2.4
143.08548	4.9
144.05774	1.2
145.06467	2.5
145.10101	19.1
147.08072	6.2
147.11655	13.9
149.05914	2.0
149.09610	11.4
149.13234	3.9
151.11137	3.4
155.08513	3.1
157.10149	4.7
159.08026	2.8
159.11678	9.6
161.09592	5.8
161.13243	4.2
163.07567	1.1
163.11174	4.6
163.14900	1.6
165.12750	1.7
169.10120	4.2
169.88533	1.1
171.11719	2.7
173.09569	2.5
173.13216	4.5
175.11166	2.9
177.12738	2.0
183.11719	3.5
185.13338	1.1
187.11176	2.3
187.14827	1.7
191.18011	1.0
193.12206	4.3
197.13435	1.5
197.33652	1.1
201.12689	2.5
201.16356	1.3
205.05040	2.0
215.17992	7.8
216.39522	1.0
219.17422	1.3
225.16362	6.8
225.82393	1.2
233.04424	1.3
233.18987	5.7
243.13824	1.5
243.17441	12.5
243.19868	1.2
243.21057	2.5
245.50436	1.1
261.03928	3.6
261.15036	6.6
261.18488	100.0
261.21924	4.6
262.14279	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.1443
Annotation	Leu Glu
Peak:m/z	Relative Intensity
52.18587	0.3
53.30915	0.4
58.06593	0.4
58.75426	0.4
69.07064	6.3
69.14845	0.4
69.15233	0.4
69.20683	0.4
70.06579	0.4
71.39330	0.9
72.08144	0.7
84.04497	7.3
84.08137	1.7
85.08468	1.1
86.09697	100.0
87.10031	1.0
87.20122	0.4
96.04478	2.5
102.05520	3.6
104.03794	0.5
129.10240	0.7
130.04977	4.6
138.79091	0.4
148.06030	17.5
157.61415	0.3
158.04341	4.1
158.06401	0.6
191.73079	0.4
193.32843	0.4
215.13934	0.5
222.10506	0.4
243.13358	0.6
261.07315	0.6
261.14413	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	261.1442
Annotation	Gamma-Glu-Leu
Peak:m/z	Relative Intensity
50.57980	0.5
56.05023	2.3
60.98039	0.5
63.60485	0.5
69.07067	1.4
69.51913	0.5
70.06572	1.1
71.49463	0.8
84.04494	56.3
84.08130	2.0
85.02859	1.2
86.06060	2.7
86.09695	100.0
87.10066	0.7
87.78628	0.5
91.05449	0.6
92.78771	0.5
93.02398	0.6
102.05525	2.5
103.05415	0.5
114.05527	2.0
119.08577	0.5
120.08103	1.6
126.33812	0.5
129.10254	0.5
130.05000	9.0
132.10188	45.1
142.04999	4.7
144.08078	0.6
148.06085	1.4
152.10680	2.1
169.08591	2.2
170.11726	1.0
197.12877	0.6
198.11234	11.1
223.11232	0.5
237.73677	0.5
243.13316	1.0
244.11798	9.4
245.09067	0.6
249.79008	0.5
261.14490	10.9
261.17111	1.0
261.22070	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.1266
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	8.9
55.05236	1.3
55.05502	24.1
56.05032	6.5
57.07076	7.1
58.99578	16.6
61.01142	6.2
62.00617	1.1
63.57125	1.0
67.05482	3.5
68.05009	3.4
69.07046	3.9
70.02935	1.6
70.06572	4.8
71.20314	2.5
73.01125	10.4
74.00646	10.0
74.02417	2.5
75.12814	1.3
76.02218	3.9
76.03983	4.9
79.05482	8.2
81.07047	30.1
82.06561	4.0
83.08614	18.5
84.04488	12.7
85.01122	12.1
86.99037	10.8
87.02679	2.0
88.02198	8.7
91.05454	3.1
93.07017	3.8
95.08598	5.1
96.08102	1.6
98.09673	4.4
99.02662	10.1
100.11245	44.2
105.07017	3.2
107.08593	6.4
112.03960	18.6
112.11227	16.6
115.05780	17.5
116.01662	32.1
116.05301	26.2
121.10100	1.3
124.11212	4.8
130.04993	12.8
131.08539	2.0
133.10118	3.2
141.07310	19.2
144.01120	7.1
153.57497	1.1
158.09979	100.0
158.11749	59.8
159.11690	1.5
162.02155	13.6
174.02170	1.5
184.29062	1.2
215.12129	1.2
237.35219	1.1
238.59917	1.2
244.10007	41.5
261.12668	57.5
261.18561	3.2
261.22113	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.1443
Annotation	CHEBI:73506
Peak:m/z	Relative Intensity
55.05504	7.8
56.05027	7.6
56.96553	1.5
67.05477	1.6
69.07053	2.1
70.04041	5.6
70.06576	3.5
72.08148	55.2
79.05475	1.4
81.03420	1.3
81.07015	1.8
84.04497	100.0
84.08134	8.4
85.02882	3.7
85.08441	2.0
86.09698	83.8
87.09998	1.4
93.07059	1.2
98.21353	1.7
102.05536	17.3
107.08501	1.1
110.07191	3.1
113.07100	1.2
114.46102	1.2
129.06555	3.5
130.08611	1.3
132.10193	39.9
141.06560	3.8
144.06541	15.7
160.49197	1.1
162.07607	31.9
172.09605	1.4
178.66092	1.3
197.12833	41.7
215.14091	1.3
225.12303	4.2
243.13402	34.7
261.03876	3.5
261.14566	3.7
261.19907	1.3
264.72620	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.058
Annotation	Suprofen
Peak:m/z	Relative Intensity
61.02879	0.9
70.40018	3.8
85.18257	1.0
86.09679	2.4
102.77699	0.9
106.09473	0.9
108.75625	0.9
121.01675	1.2
169.01102	1.9
201.03726	2.8
221.97328	1.0
229.03169	36.1
243.04778	4.8
261.05807	100.0
261.09393	20.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.0581
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40438	1.5
56.96551	3.6
61.60693	1.7
69.90173	10.3
70.06586	1.7
81.03394	2.1
81.98510	1.5
84.08139	5.1
85.02889	2.3
85.08441	2.9
86.09705	7.2
91.64862	1.7
96.04491	3.0
98.20770	2.7
98.97572	3.3
116.98675	2.4
119.01949	2.0
132.95856	7.0
133.03490	3.1
145.03482	1.8
150.96881	2.8
158.04344	11.1
158.06378	4.0
161.02898	2.1
169.01015	2.3
171.02757	2.4
171.90863	1.7
201.03830	3.1
219.01831	2.7
221.05072	2.3
224.02220	1.8
229.03207	32.5
243.04788	4.7
247.94705	1.8
261.05847	100.0
261.09372	24.3
266.69440	1.9
284.87390	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.0755
Annotation	3-acetonyl-1,6,8-trihydroxy-2-naphthaldehyde
Peak:m/z	Relative Intensity
50.65235	1.9
52.13836	2.4
55.01871	23.9
55.05503	3.8
56.05011	3.4
56.96532	2.1
58.06595	2.7
60.04503	2.5
67.05482	3.4
68.99773	4.9
69.03419	5.6
69.07050	2.2
70.06576	6.5
71.01340	4.9
71.04980	3.9
71.13524	3.5
71.13854	2.9
72.08139	8.3
73.02889	2.8
79.05499	3.6
81.03374	5.8
81.07044	4.2
84.04471	6.0
84.08125	9.4
85.02893	9.6
86.09679	8.7
89.90976	2.2
91.05471	14.3
93.07027	4.3
95.01323	21.0
95.04929	3.3
95.08587	2.6
97.02885	6.3
98.97549	5.3
99.04420	5.6
102.09161	29.2
103.05441	5.9
105.07007	17.4
107.04943	7.7
109.02879	3.6
115.03920	4.2
115.05428	13.1
116.98617	4.1
117.05755	4.4
117.07034	16.5
118.06550	3.5
119.04916	19.8
119.08546	3.0
120.04369	2.3
120.08082	5.4
121.02833	16.7
121.10062	2.3
123.04404	5.2
128.06206	4.9
129.07016	4.5
129.10194	6.1
130.05023	3.4
130.06512	30.1
131.04930	16.7
131.08540	8.5
132.08116	3.2
133.06476	54.9
133.10185	3.1
134.06009	2.7
136.07547	4.4
141.06985	17.5
142.06554	4.5
143.08340	2.1
144.05635	5.9
144.08055	4.7
145.06474	69.2
145.07498	3.3
146.05923	4.5
147.04404	38.7
147.08064	4.3
148.04915	2.3
148.06120	2.1
153.06989	4.0
155.06065	5.9
156.08023	3.1
157.06422	15.4
157.07556	2.4
158.05981	34.5
159.04413	9.6
159.08025	12.9
160.07571	3.4
161.05943	19.4
163.03902	6.8
165.26779	2.1
169.06465	26.8
170.05983	21.6
171.04366	25.2
171.05589	2.9
171.08034	7.1
172.07526	3.1
173.05960	80.4
173.09470	2.7
175.03871	17.5
181.06517	4.9
184.05161	6.3
184.07509	3.2
185.05907	11.4
187.04010	2.5
187.07529	18.8
188.07072	24.5
189.05438	10.0
191.07062	2.9
193.04913	3.9
196.07648	3.0
197.05957	100.0
199.03889	7.9
199.07608	11.6
201.05440	58.1
201.07329	3.4
205.04869	2.8
214.00952	2.2
215.07008	71.2
217.04980	5.2
219.06528	23.3
225.05518	8.4
226.08690	2.7
233.07895	3.5
237.02780	3.7
243.06465	31.4
243.09026	3.2
243.09827	2.8
244.09723	20.0
261.03882	5.8
261.07617	25.4
261.10153	3.6
261.12595	4.6
261.15118	3.5
261.18097	5.6
261.22229	2.8
262.07813	3.6
262.10663	23.3
279.11618	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	261.0305
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98178	0.2
56.96563	2.2
60.46573	0.2
70.15688	0.9
71.47552	0.2
75.28320	0.3
91.05466	0.5
98.96977	0.3
98.97577	4.7
100.02470	0.2
101.00864	1.3
102.96883	0.2
116.98611	4.7
118.03497	0.3
119.01912	9.8
120.02076	0.3
128.98572	0.4
131.01900	0.2
134.99652	4.7
137.02937	3.5
142.03506	0.4
146.99698	0.2
153.00786	1.0
155.66644	0.2
158.01157	0.2
158.99762	1.2
161.01271	0.2
161.02884	0.4
169.06265	0.2
170.99635	0.3
173.01070	0.3
175.03023	0.2
177.00935	19.5
178.01039	1.1
179.00700	0.8
182.99849	0.6
187.68007	0.2
189.00768	0.7
193.04047	0.5
195.01939	0.5
200.02481	0.5
201.00847	1.7
201.02461	0.3
217.04056	2.6
218.03618	0.7
219.01985	25.8
220.02119	1.9
221.01790	4.3
222.01926	0.6
225.00826	1.7
225.19360	0.3
237.02798	0.8
237.98647	0.7
242.03592	0.7
243.01981	8.4
243.04480	0.5
244.01982	0.4
261.03033	100.0
261.22180	0.3
262.03140	5.5
263.03360	0.4
266.03555	0.7
275.04419	0.4
278.97433	0.5
279.00327	2.9
284.01459	0.5
284.04630	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	261.0481
Annotation	Unknow
Peak:m/z	Relative Intensity
71.73429	8.1
94.92996	21.7
127.28964	7.1
187.28246	7.1
202.91118	9.4
261.04852	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	260.1602
Annotation	H-Ile-Gln-OH
Peak:m/z	Relative Intensity
53.65369	1.0
55.05502	6.7
55.22426	1.0
56.05027	9.4
60.01753	1.1
60.04522	1.5
64.00423	1.1
66.24331	1.0
69.07063	5.3
70.06585	5.9
70.51624	1.9
70.52016	3.1
72.08146	71.9
74.02422	4.7
81.03426	1.5
83.04418	0.9
83.04993	2.2
83.06094	45.4
84.04494	100.0
84.08132	70.9
85.02897	1.3
85.04836	1.5
85.08430	1.7
86.09697	100.0
90.05528	1.2
91.05468	2.7
94.06552	1.2
98.21395	1.2
101.07129	6.4
101.10741	1.9
109.01744	1.1
110.07105	1.3
116.06404	1.2
116.07053	6.9
117.10284	2.4
118.06563	2.2
120.08086	2.3
129.06590	3.5
129.10234	17.5
130.08636	13.3
132.08099	1.4
132.10190	23.3
134.05971	2.2
136.07555	1.3
141.06566	2.4
143.11810	2.1
144.06541	64.7
144.10193	4.1
147.07637	1.8
147.11264	16.7
157.13341	7.8
161.09201	56.9
161.12874	3.2
168.83800	1.2
171.01146	1.7
171.11378	1.3
185.12816	2.6
196.14404	8.1
197.12831	24.4
214.09795	1.1
224.09261	1.3
225.12250	2.1
242.14973	45.9
243.13387	26.4
243.17105	3.1
245.14995	1.2
260.11118	2.3
260.16043	10.0
260.19604	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	260.1027
Annotation	Unknow
Peak:m/z	Relative Intensity
54.51776	1.7
55.05494	1.8
56.05024	10.6
56.96555	4.2
60.04505	1.9
64.82324	1.7
68.05022	2.7
69.66336	1.6
70.06585	13.0
71.26398	3.1
72.08142	9.7
72.93806	1.6
73.07673	5.2
74.02426	5.4
79.39869	1.8
80.04932	1.8
81.03387	6.2
81.66194	1.8
82.02934	2.3
82.42141	1.7
83.06110	2.5
84.04502	5.5
84.08134	43.1
85.02926	2.6
86.09699	28.8
91.05449	2.1
95.04969	1.7
98.06067	1.6
98.21246	2.4
98.97571	3.7
99.04412	1.9
101.01732	9.1
103.05479	1.8
109.02854	11.6
110.07180	3.0
114.05497	2.0
116.07061	5.4
118.06538	6.2
120.08044	2.0
127.71662	1.7
128.07085	2.0
129.06584	2.8
129.10217	15.7
130.04883	2.3
130.06531	5.3
130.08612	6.4
132.08054	2.3
132.10188	7.1
133.05217	6.9
134.99614	2.5
142.06528	7.9
143.11780	3.5
144.08090	4.7
144.10162	8.5
145.07588	6.7
146.06003	41.8
147.06758	7.4
147.11278	6.8
154.06532	2.4
155.06039	2.4
156.06760	4.4
157.05237	5.1
158.06001	3.2
159.06790	5.5
159.09148	12.1
160.07564	11.6
161.04732	2.1
161.12874	3.9
169.07597	49.0
170.06003	19.4
171.05510	31.3
171.06871	2.8
171.09102	2.3
172.07494	10.6
173.07089	14.8
174.05550	8.5
174.07890	25.4
177.00662	3.0
182.06047	2.1
185.04742	4.0
185.07143	5.9
186.05399	1.8
186.10252	4.3
187.08646	34.5
188.07127	2.6
189.12341	4.8
196.08685	5.9
197.07092	70.9
198.05463	2.8
199.08618	5.6
201.06572	22.7
203.05772	2.5
213.70027	1.7
214.09721	100.0
215.08205	5.8
216.06523	5.0
220.08440	3.9
224.09161	7.3
225.06587	5.2
237.02814	6.4
242.09799	1.8
243.07629	44.8
255.03896	9.9
260.10306	50.0
260.13467	3.7
260.17352	1.7
260.19601	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	259.2055
Annotation	Bactacine
Peak:m/z	Relative Intensity
54.38186	1.7
55.05494	3.5
57.07060	4.9
60.44477	1.6
67.05487	7.6
69.02749	1.5
69.07049	7.1
69.41207	20.7
79.05473	6.4
81.07054	31.4
91.05450	4.6
93.07033	10.0
95.04939	5.0
95.08601	13.8
98.21445	3.7
105.03384	12.0
105.07018	9.2
107.08582	11.8
109.06508	4.3
109.10129	8.3
111.08045	2.0
117.07034	2.5
119.08572	10.6
121.10133	7.3
123.11694	67.6
129.01826	2.3
129.06987	2.9
131.08549	6.5
133.10106	6.3
135.08060	11.9
135.11636	2.6
137.09592	10.1
143.08569	3.7
145.10121	11.1
147.11688	6.1
149.09630	3.9
151.11046	2.7
157.10133	3.9
159.11665	11.0
161.13281	3.8
163.11137	2.7
171.11687	5.2
173.13255	3.3
175.11159	2.1
175.14792	5.4
181.06458	2.0
185.13243	3.6
188.62186	2.2
189.12761	4.3
189.16270	2.1
199.14746	2.8
201.16394	9.4
203.06978	2.3
203.14314	4.0
215.17960	2.2
241.19476	6.0
259.11282	3.6
259.20557	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.2054
Annotation	13-Apo-beta-carotenone
Peak:m/z	Relative Intensity
53.03934	2.2
55.01857	1.1
55.05505	11.0
57.07071	7.4
65.03890	1.8
67.05190	1.5
67.05502	19.0
69.07058	9.2
70.15740	6.6
71.04959	1.6
71.08616	2.1
79.05487	18.0
81.07044	18.8
83.04948	3.0
83.08594	4.0
85.06525	1.9
91.05470	34.0
93.07030	20.3
95.04938	3.7
95.08588	17.8
97.06504	4.7
97.07043	1.3
105.06329	2.4
105.07019	43.5
107.04958	3.2
107.07463	1.2
107.08572	9.5
109.06494	2.9
109.10148	5.8
111.08054	2.6
115.05418	2.0
117.07005	15.2
119.08566	23.6
121.06471	3.6
121.10123	6.7
123.11728	1.2
128.06194	4.8
129.06982	14.3
130.55586	1.2
131.08559	16.4
133.06462	3.7
133.10123	16.3
135.07990	2.6
135.11656	4.6
137.09605	2.8
142.07759	4.2
143.08525	16.8
145.10103	10.8
147.08063	7.7
147.11653	15.1
149.09563	2.5
149.13190	4.2
151.11143	2.5
156.09367	1.7
157.10118	16.6
159.11696	10.2
161.09555	4.3
161.10913	1.5
161.13243	18.8
163.11166	3.5
165.12801	1.6
171.11662	16.4
173.13240	8.4
175.11180	5.1
175.14787	7.9
177.12712	5.0
185.13245	11.3
187.14777	2.4
189.12724	11.3
189.16336	1.8
199.14754	9.2
203.14244	2.9
213.16428	1.8
215.17854	3.6
231.21069	8.8
241.19489	25.2
259.20547	100.0
260.21051	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.2054
Annotation	(S,S)-traseolide
Peak:m/z	Relative Intensity
53.03913	1.0
53.22464	0.8
55.01850	1.1
55.05505	22.7
57.07064	5.6
58.07393	1.0
62.06060	0.9
65.03926	0.9
65.20296	0.8
67.05498	11.7
69.03429	1.0
69.07061	9.5
71.08621	7.1
71.73232	1.1
71.73624	1.1
72.04485	1.8
79.05482	12.8
81.07047	13.4
81.31856	0.9
83.08613	15.4
91.05470	28.3
93.06503	1.1
93.07037	11.6
95.04938	2.0
95.08597	10.3
97.06502	1.5
97.10144	1.1
99.08067	2.2
103.05473	1.3
105.00193	0.9
105.07018	54.6
107.04932	4.1
107.08578	6.9
109.10136	3.6
115.05449	1.9
116.06221	1.3
117.07005	32.3
119.04886	1.5
119.08571	22.0
121.06494	16.1
121.10136	4.5
123.11703	1.4
126.43884	0.8
128.06198	4.5
128.31500	0.9
129.06993	26.2
129.07956	1.4
130.07796	1.1
131.08554	24.9
133.06483	31.6
133.10112	20.8
135.08023	2.6
135.11679	3.9
141.07014	1.1
142.07753	3.0
143.08537	19.4
145.10106	25.7
145.11234	1.7
146.07230	1.6
147.08020	10.7
147.11671	19.0
150.12865	0.9
151.11171	1.1
155.08540	0.9
157.10107	16.2
159.11671	25.6
161.09576	2.1
161.13235	12.6
171.11679	15.1
173.13264	12.7
174.10320	0.9
175.11177	2.8
175.14758	2.1
177.12721	3.9
185.13263	11.9
187.14767	2.7
189.12727	79.6
190.13121	1.0
199.14771	6.8
201.16362	1.1
203.14287	3.6
213.16399	1.1
215.17830	1.3
217.15877	1.3
231.21077	1.9
231.25078	6.9
241.19479	17.7
241.23509	3.1
259.20547	100.0
259.24426	8.0
260.21005	2.0
270.65625	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.2053
Annotation	13-Apo-beta-carotenone
Peak:m/z	Relative Intensity
50.80434	13.0
51.09433	13.8
55.05009	13.9
55.05500	24.2
57.07062	14.9
67.05493	27.7
69.07041	48.5
70.66495	51.9
71.01499	15.4
71.04996	19.9
79.05495	18.6
79.28176	12.0
81.07055	20.7
83.08620	20.7
85.06535	32.7
91.05485	17.2
93.07042	25.3
95.08584	27.7
98.89444	13.5
105.02769	17.3
105.03328	70.7
105.07033	33.1
107.08591	36.3
108.42165	11.6
109.10166	20.3
109.97209	11.6
111.08112	17.3
112.57340	13.8
112.63815	13.1
114.70753	12.1
119.08558	65.1
121.10138	16.4
123.11713	28.6
131.08633	16.6
133.10120	37.2
135.07976	17.7
144.74689	11.4
145.10123	38.2
147.11703	32.1
159.11687	33.5
161.13275	43.7
171.11696	16.2
175.11191	18.2
175.14792	97.6
181.06393	13.9
185.13254	18.5
191.92812	16.1
201.16508	16.0
241.19456	18.8
259.17166	11.6
259.18030	15.4
259.20529	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.2054
Annotation	13-Apo-beta-carotenone
Peak:m/z	Relative Intensity
53.03934	2.0
53.27711	1.0
55.01856	2.0
55.05276	0.9
55.05511	11.0
57.03438	2.2
57.07072	10.9
58.07387	1.6
62.06076	2.1
67.05498	23.1
69.07063	10.5
70.97839	1.4
70.98160	1.8
71.04984	1.7
71.08630	7.6
75.17820	0.9
78.07992	1.0
79.05487	19.9
79.71390	0.9
81.06602	1.6
81.07051	20.5
83.04995	2.2
83.08603	5.7
85.06548	2.6
85.10165	1.2
88.68165	0.9
91.05473	44.1
91.06045	2.1
93.07034	18.8
95.04945	3.3
95.08596	14.5
97.06522	4.9
97.10173	2.3
99.08099	6.2
103.05447	1.9
105.07022	65.5
107.04939	1.9
107.08587	12.3
109.06486	1.4
109.10143	4.3
111.04491	1.2
111.08067	4.2
115.05412	1.7
117.07005	21.4
119.08575	34.8
121.06486	4.4
121.10137	7.6
123.08074	2.1
123.11700	1.2
128.06209	3.6
129.06987	13.9
131.08549	20.1
133.06485	3.6
133.10120	25.2
135.08028	3.9
135.11694	3.6
137.09578	2.5
141.07004	1.3
142.07777	2.5
143.08546	16.9
145.10112	25.3
147.08025	4.5
147.11681	26.4
149.09608	2.8
149.13234	3.3
151.11198	1.2
155.08557	1.3
157.10085	10.8
159.11685	14.4
161.09616	2.6
161.13263	29.6
163.11163	3.4
165.12741	1.3
170.10959	1.3
171.11676	15.6
173.13257	13.6
175.11191	8.5
175.14795	13.1
177.12743	3.2
185.13246	13.5
187.14836	2.3
189.12732	5.3
189.16298	1.1
191.14287	1.1
199.14816	8.8
201.16365	1.9
203.14340	2.9
213.16409	2.1
215.17950	1.4
217.15877	1.6
231.20998	4.5
241.19524	30.6
241.27248	1.4
259.20566	100.0
259.28214	34.2
260.20773	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.2055
Annotation	13-Apo-beta-carotenone
Peak:m/z	Relative Intensity
55.01858	3.3
55.05508	14.3
57.07057	8.9
58.06573	2.6
62.06049	2.5
67.05502	15.5
67.05788	2.9
69.07065	10.9
71.04988	4.4
71.08607	7.4
71.72980	3.3
71.73374	2.7
79.05483	12.4
81.07047	16.4
83.08598	7.7
91.05466	29.4
93.07047	15.2
95.04935	2.3
95.08583	10.5
97.06503	6.2
99.08062	6.9
105.07020	49.9
107.04910	3.0
107.08596	8.3
109.10141	3.6
111.08022	2.9
117.07026	25.9
119.08575	22.1
121.06482	7.5
121.10138	6.7
123.08017	3.1
123.88185	2.1
125.47364	2.3
128.06197	5.3
129.06987	20.8
131.08549	33.0
133.06461	3.1
133.10118	21.8
135.08015	4.3
135.11642	4.2
142.07782	3.3
143.08557	17.8
145.10097	23.6
147.08037	5.7
147.11697	23.4
149.09532	4.2
149.13283	4.2
157.10126	16.1
159.11688	32.7
161.09619	5.7
161.13251	21.9
163.11111	2.6
167.80981	2.6
171.11711	15.7
173.13266	25.8
175.11201	22.1
175.14809	6.8
179.07010	5.7
185.13242	20.9
187.14705	3.3
189.12727	7.3
199.14763	13.1
201.12572	2.4
203.10567	2.6
203.14346	4.3
209.42073	2.4
213.16264	2.3
231.17458	3.4
231.21027	4.6
241.19507	28.6
259.13312	2.9
259.17331	4.0
259.20557	100.0
259.28220	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	259.1109
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.5
54.97121	1.0
55.01859	5.8
55.05505	6.0
56.05031	39.6
58.99579	14.2
61.01147	2.3
61.83483	1.0
67.05502	2.4
68.05018	7.7
69.07050	2.7
69.53211	2.2
69.53620	5.6
70.02950	5.2
70.06577	3.0
70.99566	3.4
72.08195	1.4
73.01131	3.5
74.00651	1.9
74.02437	3.5
76.02241	2.4
76.03998	4.8
79.05497	8.5
80.05011	4.3
81.05786	3.0
81.07050	6.2
82.06570	3.1
84.04501	11.8
84.08144	7.6
85.01123	22.3
86.00639	13.5
86.09682	4.7
86.99055	5.3
87.02679	9.8
87.97555	1.0
88.02206	4.9
91.05462	2.7
93.07023	2.2
94.06564	4.9
95.04957	1.2
95.08599	1.3
96.08118	5.4
97.01105	4.2
98.09683	58.9
99.05564	1.5
100.02169	1.4
102.05527	22.0
105.06995	2.2
108.08086	5.2
109.08900	1.6
110.09666	14.0
112.03947	11.2
113.03448	2.1
113.04216	32.6
114.03728	3.0
114.05527	1.0
115.05748	1.4
116.01666	24.9
122.09647	6.7
123.10466	2.6
127.03873	1.3
127.05731	0.9
129.01854	0.9
129.10249	1.3
130.04991	8.1
130.05815	0.9
130.05997	1.2
130.06866	9.6
130.08632	6.8
133.10153	1.2
139.05748	2.4
143.02742	5.0
144.01155	4.6
145.06105	5.4
146.05983	7.5
156.08437	45.3
156.10207	47.8
162.02205	10.0
174.05637	1.1
184.07777	1.0
188.03757	3.1
189.03311	4.2
202.07689	2.1
203.08507	1.9
213.10583	1.5
216.06888	21.2
216.87466	1.0
231.08031	2.8
242.08499	3.7
257.45755	1.0
259.11160	100.0
259.20483	1.8
260.11472	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	259.111
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	0.7
55.01871	4.3
55.05509	6.7
56.05030	39.3
57.03429	0.6
57.07063	0.7
58.99578	14.1
60.04526	1.4
61.01138	2.4
67.05489	3.1
68.05024	6.8
69.07072	3.4
69.07383	0.7
70.02946	6.5
70.06592	1.1
70.70877	1.3
70.89915	0.7
70.99562	3.8
73.01125	2.8
74.00655	0.9
74.02445	2.0
76.02213	2.9
76.04001	4.3
78.60534	0.7
79.05072	1.2
79.05491	10.5
80.05009	4.8
81.05799	1.0
81.07050	7.7
82.06553	2.3
83.08614	2.0
84.04488	7.0
84.08134	2.9
85.01124	18.1
86.00641	16.8
86.09726	0.8
86.99035	6.7
87.02682	5.5
88.02214	3.3
88.03931	1.0
91.05450	1.2
93.05782	1.0
93.07013	2.6
94.06525	4.4
95.04980	1.2
95.07333	1.6
95.08583	2.5
96.08114	6.1
97.01111	5.2
97.06515	1.9
97.08868	0.8
97.10201	1.2
98.09687	67.4
99.05562	2.0
100.02209	1.2
102.05534	10.0
105.07016	2.4
108.08103	4.5
109.08884	2.0
110.09676	14.0
111.02586	0.9
111.08073	0.7
112.03964	6.5
113.03450	1.5
113.04222	27.0
113.05007	1.6
114.03745	3.0
114.05496	1.4
115.05801	1.2
116.01667	22.5
116.03427	1.1
122.09663	7.4
123.10420	1.0
130.04996	6.4
130.05804	0.8
130.05994	0.8
130.06848	6.8
130.08647	4.2
133.10069	0.9
139.05698	2.1
143.02737	6.3
144.01146	3.9
145.06062	3.6
149.13255	1.0
155.75865	0.8
156.08420	48.1
156.10190	56.9
157.08832	0.9
157.10252	0.9
162.02182	5.8
174.02081	0.8
188.03726	1.9
189.03302	4.8
192.80527	0.7
203.08534	1.6
213.10522	2.3
216.06865	10.8
220.08563	0.8
231.08133	0.9
242.08403	3.9
252.38184	0.8
259.11118	100.0
260.11328	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	259.0746
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01848	0.8
56.21648	0.3
56.96545	1.1
57.03403	0.4
60.27683	0.3
67.65177	0.3
68.05022	3.7
69.03424	0.6
70.04717	1.7
70.06565	0.7
70.98096	0.4
72.08137	0.6
74.00240	0.5
74.00656	6.5
76.03981	0.6
81.03425	1.6
84.04466	0.5
84.08119	1.3
85.02908	0.6
86.09702	0.7
96.04479	38.3
97.02939	0.3
98.97575	2.0
101.00845	0.4
111.05556	0.5
113.00551	1.7
114.03748	0.6
116.65525	0.3
116.98605	1.0
119.01905	0.8
128.04536	0.6
128.98650	0.4
130.04897	0.4
131.01929	0.4
133.03453	0.5
134.99637	0.4
139.02101	1.4
156.04758	100.0
157.03412	0.3
157.05116	0.8
257.42978	0.3
258.99615	0.7
259.07535	9.2
274.54736	0.4
277.00739	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.1109
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.7
55.01865	10.6
55.05503	8.2
56.05025	12.9
58.99580	11.6
61.01138	4.7
64.32325	1.5
67.05481	3.0
68.05016	3.5
69.07056	3.4
71.29509	2.8
71.29854	2.6
73.01109	1.7
74.00643	2.4
76.02210	4.4
76.03994	3.9
79.05019	2.6
79.05485	50.6
80.05010	4.7
81.05788	1.9
81.07043	25.8
82.06573	13.5
83.08601	1.7
84.04504	13.0
84.08154	1.5
85.01121	88.6
85.04002	5.0
86.00639	27.7
86.99041	6.1
88.02208	4.2
91.05473	2.8
92.01669	2.1
93.07020	5.7
94.06554	7.4
95.04953	4.2
95.07346	1.7
95.08590	5.8
96.08111	12.2
97.01099	5.2
97.06522	2.3
97.08906	9.0
98.09684	31.8
100.02192	2.6
102.05543	1.9
105.07003	9.7
107.07340	2.6
107.08651	1.6
108.08105	6.0
109.08873	2.4
110.09662	13.9
111.02660	3.4
112.03950	10.5
113.04216	100.0
114.05545	2.1
116.01664	19.1
119.08547	3.3
122.09643	13.1
123.10446	1.7
130.04990	41.3
131.04510	4.3
133.10103	1.4
139.05766	5.5
143.02750	4.1
144.01083	3.2
145.06050	2.2
153.20062	1.6
156.08424	68.2
156.10194	35.0
159.11694	1.4
162.02211	5.7
177.03348	8.2
189.03235	6.8
242.08441	14.2
259.11145	47.7
259.20444	3.0
259.24332	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	259.1111
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.1
55.01859	3.7
55.05513	5.2
56.05031	42.7
58.99582	14.4
60.04508	1.9
61.01134	2.5
62.18784	0.8
67.04244	1.0
67.05489	2.2
68.05024	8.8
68.41570	0.8
69.05791	0.9
69.07074	1.8
70.02944	7.9
70.06579	1.2
70.99575	4.5
71.64937	1.1
72.08172	0.9
73.01123	2.9
74.00655	1.2
74.02431	1.9
76.02204	2.5
76.03988	4.7
79.05485	11.0
80.05019	5.7
81.05777	2.3
81.07041	7.7
82.06565	2.5
83.08591	1.5
84.04503	7.8
84.08123	2.0
85.01121	20.1
85.04069	0.8
85.43030	0.8
86.00645	14.9
86.99043	7.1
87.02688	7.5
88.02208	3.8
88.03990	1.8
91.05460	2.1
93.05783	1.4
93.07005	3.5
94.06570	6.5
95.04991	1.2
95.07327	1.5
95.08587	2.4
96.08131	8.1
97.01108	6.0
98.09686	71.6
99.05544	1.4
102.05531	13.6
105.07021	3.6
107.07354	0.9
107.08546	0.9
108.08106	5.8
109.08877	2.9
109.10152	0.8
110.09672	12.2
112.03968	5.7
113.04218	32.8
113.05029	1.6
114.03735	3.6
114.04481	0.8
114.05510	1.4
115.05775	0.9
116.01672	28.4
119.08574	1.2
122.09666	8.1
123.10477	2.3
127.05769	0.9
130.04994	6.4
130.06860	8.3
130.08604	4.2
133.10141	1.0
139.05739	2.4
143.02753	7.1
144.01122	5.3
145.06047	6.1
149.13277	1.1
156.07094	1.5
156.08412	48.8
156.10188	57.8
157.10454	0.8
160.38223	0.9
162.02202	6.7
177.03279	1.2
188.03708	1.8
189.03279	5.1
213.10533	1.6
216.06891	12.9
219.34781	1.0
242.08449	3.7
259.11111	100.0
260.11499	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0598
Annotation	1,6-Dihydroxy-5-methoxyxanthone
Peak:m/z	Relative Intensity
53.76500	0.4
55.01849	0.6
55.05506	1.2
57.03396	0.6
57.07043	0.5
59.38601	0.5
60.40995	0.4
64.29404	0.4
67.05475	1.3
69.07056	0.6
71.74590	0.9
79.05475	1.8
81.07037	1.6
83.08575	0.7
84.08141	0.6
85.01107	0.6
91.05470	1.9
93.07021	1.1
95.08598	1.6
99.56694	0.4
105.06993	3.3
107.04913	0.5
107.08566	0.9
108.02113	0.5
117.07030	0.9
119.08574	1.6
121.02849	7.0
121.06566	0.4
121.10115	0.7
123.00718	0.6
129.06969	1.1
131.08569	1.1
133.06473	1.1
133.10091	0.8
135.11702	0.5
137.02328	1.2
143.04924	0.4
143.08566	1.1
145.10114	1.1
147.04349	0.5
147.11626	1.3
148.53181	0.4
156.08275	0.5
156.10228	0.6
157.10121	1.2
159.11676	1.3
160.05180	1.5
161.05965	5.6
161.13205	0.7
173.13144	0.7
175.11237	0.6
185.13243	0.6
188.04707	3.1
189.08998	0.5
199.03845	0.7
199.14783	1.0
215.03365	1.6
216.04201	3.8
227.03334	4.7
228.04143	0.8
230.02113	0.9
241.19594	1.0
243.02875	4.9
244.03644	43.9
259.05991	100.0
259.16876	1.2
259.20459	3.6
260.06302	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	258.1099
Annotation	Glycerophosphocholine
Peak:m/z	Relative Intensity
56.05018	0.5
57.03420	0.5
58.06583	0.5
59.07374	0.3
60.08158	9.5
66.89470	0.3
70.93563	1.1
71.07362	2.3
80.48305	0.3
84.04492	0.7
84.08134	1.3
86.09695	18.9
87.10037	0.4
88.95474	0.4
90.69116	0.4
96.04465	1.1
98.98449	3.4
104.10730	100.0
105.11061	1.2
110.07162	0.7
115.00152	0.3
121.77513	0.3
124.99985	21.5
129.10225	1.0
156.04753	5.1
184.07320	10.6
212.14024	0.5
258.08240	0.8
258.10989	15.7
258.13980	0.8
259.07449	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1897
Annotation	3-Deoxyestradiol
Peak:m/z	Relative Intensity
50.20126	0.9
55.01855	1.5
55.05507	10.5
57.03400	0.9
57.07063	2.0
60.08155	1.8
65.03920	1.0
67.05502	22.2
67.81429	0.9
69.07061	4.5
69.85729	1.0
70.80459	1.9
70.80856	1.8
71.04965	2.3
79.05486	11.2
81.06612	1.3
81.07047	15.6
83.04961	2.9
83.08611	3.2
90.12618	0.9
91.04926	1.5
91.05470	18.8
93.00291	0.9
93.07024	13.4
95.04961	2.9
95.08595	16.7
97.06517	5.0
97.10156	1.4
103.05428	1.0
105.07026	17.8
107.04930	1.6
107.08586	9.2
109.06490	1.6
109.10168	5.2
109.10806	1.0
111.08043	1.7
115.05380	2.4
116.06216	1.6
117.07011	22.0
117.15921	1.2
119.08578	14.8
121.06508	1.3
121.10143	6.7
123.08085	1.6
123.29678	1.1
125.09640	2.7
128.06204	4.4
129.07001	11.2
130.07706	4.6
131.08557	34.2
133.06473	4.4
133.10106	11.8
135.08032	1.6
135.11647	2.8
137.09599	3.0
141.06978	6.6
142.07745	2.6
143.08537	13.7
144.09355	1.3
145.06467	5.9
145.10109	80.8
146.10446	1.6
147.08025	2.9
147.11673	5.5
149.09567	2.0
151.11160	2.0
154.07758	1.3
154.91190	1.0
155.08519	8.0
156.09308	1.2
157.10094	12.7
159.08032	3.7
159.11687	26.5
161.09579	3.5
161.13231	3.2
163.11160	2.5
168.09369	1.9
169.10144	8.8
170.10815	1.0
171.11684	18.0
173.09607	9.9
173.13257	9.9
175.11235	6.3
175.14827	2.3
177.12772	1.4
181.09999	1.1
183.11681	16.5
185.13225	6.7
187.11208	8.0
187.14749	2.4
189.12733	3.7
191.14221	1.1
197.13243	11.6
199.14787	2.9
201.12706	6.6
210.14081	1.1
211.14793	4.0
213.16377	5.2
215.14337	4.4
215.17899	5.0
229.15843	1.9
229.19452	5.3
229.43216	1.0
239.17929	29.2
257.18979	100.0
257.26535	2.2
257.30255	7.5
258.19351	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	257.1897
Annotation	3-Deoxyestradiol
Peak:m/z	Relative Intensity
53.03934	0.9
55.01843	2.0
55.05274	0.8
55.05504	10.1
55.12403	0.6
57.03422	1.2
57.07063	3.2
59.04972	2.8
60.26408	0.6
67.05499	24.0
68.18324	0.6
69.07055	4.8
70.11739	3.6
71.04974	1.4
71.08623	1.5
79.05481	14.5
81.07048	17.0
83.04976	6.2
83.08595	2.7
85.06525	1.3
85.10161	1.3
91.05467	24.4
93.07032	15.0
95.04959	3.2
95.08595	17.6
97.06527	4.1
97.10146	2.3
105.06335	1.0
105.07018	17.9
107.04910	0.8
107.08575	10.9
109.06467	2.1
109.10156	6.7
111.08022	1.8
115.05415	2.1
116.06207	1.2
117.06160	1.3
117.07003	26.7
119.08571	16.4
121.06486	0.8
121.10110	7.4
123.08057	3.3
125.09611	2.3
126.22723	0.6
128.06180	4.3
129.06979	12.9
130.07784	5.1
131.08551	34.2
132.08998	0.7
133.06465	2.2
133.10114	19.2
135.08057	3.1
135.11668	3.5
137.09572	3.3
141.06944	6.2
142.07776	3.8
143.08528	14.3
144.09274	1.0
145.06441	2.1
145.10103	81.6
146.10455	1.7
147.08043	2.3
147.11662	6.9
149.09602	2.0
149.13254	0.7
151.11165	1.3
153.06947	1.2
154.07765	1.4
155.08534	7.4
155.46124	0.6
156.09299	2.0
157.10103	14.8
157.47597	0.8
159.08040	1.3
159.11678	28.4
160.96684	0.7
161.09613	5.9
161.13275	4.1
163.11224	3.4
165.08220	0.7
165.12758	1.1
167.08556	1.5
168.09322	2.2
169.10109	14.6
170.10966	0.7
171.11676	21.3
173.09605	15.6
173.13245	11.9
173.14616	0.5
175.11154	7.3
175.14786	6.4
177.12743	1.5
180.81140	0.7
181.10127	1.0
182.10847	1.7
183.11678	15.1
185.13239	5.5
187.11185	7.4
187.14783	1.8
189.12729	3.7
191.14316	0.8
197.13226	14.3
197.14923	1.3
198.13730	0.9
199.14751	2.0
201.12718	4.9
201.16313	1.1
210.13974	1.4
211.14790	5.6
213.16359	10.9
215.14314	4.3
215.17888	6.0
229.15794	2.1
229.19440	3.5
239.17908	42.6
240.18370	1.9
257.18970	100.0
258.19357	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1898
Annotation	3-Deoxyestradiol
Peak:m/z	Relative Intensity
55.01879	1.2
55.05507	10.1
57.03426	1.2
57.07072	2.0
58.06587	0.7
60.08155	7.7
61.08486	2.1
65.03922	0.9
67.05499	24.1
69.07067	4.4
69.62773	3.0
69.63180	2.3
71.05013	1.1
71.08614	0.9
75.97672	0.7
77.60131	0.7
79.05495	5.9
81.07046	10.5
83.08625	3.1
91.05473	16.0
93.07040	3.8
93.32865	0.6
95.04951	0.8
95.08596	6.7
97.06535	1.3
97.10143	1.1
101.39027	0.6
103.05501	0.8
105.07024	13.6
105.71037	0.6
107.04972	0.6
107.08583	2.4
109.06520	0.9
109.10138	4.5
111.41554	0.6
111.67675	0.6
115.05438	2.6
116.06239	2.5
117.07025	12.2
119.08562	4.5
121.06487	1.1
121.10133	2.0
125.09630	1.3
128.06212	4.9
129.06993	10.7
130.07773	3.9
131.08556	100.0
132.08891	1.5
133.06480	1.5
133.10133	3.9
135.08003	0.9
141.07010	4.6
142.07739	3.2
143.08551	23.8
145.06493	4.5
145.10112	72.1
146.10503	0.9
147.08046	1.3
147.11681	2.3
154.07773	0.7
155.08560	7.2
157.10133	13.9
159.08037	1.2
159.11684	11.1
161.09612	1.7
163.11327	0.7
169.10120	8.8
171.11684	12.8
173.09677	1.1
173.13278	2.9
175.11205	0.9
182.10884	0.8
183.11678	10.6
185.13287	2.6
187.11169	9.5
189.12764	1.3
197.13216	7.7
201.12704	1.0
211.14816	2.2
213.16364	1.2
215.14430	1.1
215.17819	0.8
220.73311	0.6
229.19484	1.3
239.17961	10.7
257.18988	51.7
257.30310	51.6
258.19250	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1897
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	1.5
55.01853	1.5
55.05506	8.2
57.03419	1.8
57.07064	2.0
63.41172	1.0
65.03938	1.1
67.05498	24.1
69.07051	5.2
70.93366	2.6
71.08622	1.2
79.05487	15.4
81.07048	18.7
81.10665	0.9
83.04598	0.7
83.04984	7.0
83.08604	3.7
85.06533	1.0
91.05472	21.1
91.39517	0.8
93.07038	14.2
95.04952	2.9
95.08601	16.5
97.06505	3.8
97.10137	1.0
103.05424	0.7
105.07015	18.0
107.04897	1.1
107.08586	9.0
109.06477	2.5
109.10149	7.2
111.08058	2.9
115.05434	2.3
116.06239	2.3
117.07008	24.5
119.08567	16.5
121.04813	0.8
121.10126	7.6
123.08047	2.4
125.09568	1.3
128.06213	3.7
129.06999	13.3
130.07813	4.0
131.08557	33.0
133.06447	2.7
133.10115	17.3
135.08000	2.7
135.11670	2.4
137.09601	3.8
141.06992	6.2
142.05206	0.8
142.07748	3.7
143.08543	13.7
144.09315	1.1
145.06441	3.9
145.10109	75.4
147.08026	2.6
147.11642	7.2
149.09543	3.2
149.13255	1.4
151.11168	1.5
154.07796	1.2
155.08539	9.1
157.10110	16.5
159.08052	2.9
159.10370	1.7
159.11681	26.9
161.09618	5.3
161.13242	3.0
163.11151	3.3
165.12787	1.3
167.08527	1.4
168.09343	3.1
169.10098	14.4
171.11682	20.1
173.09627	12.7
173.13263	11.8
174.10052	0.9
175.11177	8.4
175.14847	3.9
177.12747	1.5
182.10892	1.3
183.11678	16.7
185.13235	4.5
187.11165	7.2
187.14833	1.4
189.12715	3.6
191.14192	1.2
196.12434	0.9
197.13252	14.2
198.13876	1.4
199.14780	1.7
201.12717	5.9
201.16426	1.2
210.14026	2.6
211.14777	5.3
213.16316	8.8
215.14297	3.7
215.17915	5.4
229.15785	1.6
229.19460	3.8
239.17932	37.0
240.18127	1.2
257.18982	100.0
258.19281	2.9
258.27921	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1898
Annotation	3-Deoxyestradiol
Peak:m/z	Relative Intensity
51.33778	0.8
53.03924	1.7
55.01854	3.0
55.05270	1.3
55.05506	11.9
57.03421	2.4
57.07062	2.0
63.90558	0.7
65.03924	1.2
67.05502	21.3
69.03403	1.0
69.07067	7.6
71.04977	1.7
71.06921	0.8
77.03923	0.9
79.05492	13.0
81.03419	1.4
81.07052	16.7
83.04968	3.9
83.08606	4.3
85.06537	1.0
88.79173	0.7
91.04923	1.3
91.05476	23.3
93.07054	9.1
95.04942	2.8
95.08603	15.5
97.06515	3.1
97.10150	2.0
103.05454	1.1
105.06339	1.1
105.07023	19.3
107.04971	2.3
107.08589	8.6
109.06487	2.7
109.10146	6.2
111.08063	1.5
115.05451	4.4
116.06234	1.7
117.07011	24.8
119.08572	16.1
121.06499	2.4
121.10144	5.1
123.08050	2.0
127.83459	0.9
128.06227	4.9
129.06992	15.8
130.07803	4.3
130.72955	0.9
131.08557	52.4
132.05663	0.8
132.08928	0.9
133.06473	9.1
133.10120	11.9
135.08046	4.6
135.11670	3.8
137.09616	2.2
141.06960	6.4
142.07759	4.9
143.08546	16.8
144.09364	1.8
145.06485	7.0
145.10115	57.0
146.10451	1.5
147.08040	5.0
147.11664	7.1
149.09589	2.1
151.11238	1.1
154.07779	1.3
155.08542	8.6
156.09273	1.2
157.10123	23.7
158.07243	1.4
159.08078	6.8
159.11694	27.8
161.09610	10.1
161.13234	2.5
163.11150	3.0
167.08574	1.0
168.09297	2.1
169.10121	14.0
171.11696	15.6
173.09602	7.5
173.13274	10.8
175.11203	9.3
175.14827	2.2
177.12723	1.5
182.10991	1.0
183.11676	13.4
185.13205	5.0
187.11189	9.8
187.14825	2.9
189.12633	2.2
197.13258	10.0
199.14816	4.1
201.12721	5.3
201.16432	1.0
211.14810	3.4
213.16312	4.5
215.14308	3.7
215.17891	2.2
229.19429	3.9
239.17924	25.3
257.18988	100.0
258.19415	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1896
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	1.5
55.05505	10.1
56.59202	1.1
57.03421	3.4
57.07048	1.8
57.64417	1.3
59.13271	1.1
63.17881	1.1
67.05141	1.7
67.05500	22.7
69.07050	5.7
70.06541	1.4
70.87926	3.3
71.04987	2.2
79.05488	9.7
81.07048	21.5
83.04936	1.4
83.08620	2.6
85.06531	3.4
86.42025	1.2
91.05475	19.6
93.07039	11.4
95.04958	3.5
95.08597	17.5
97.06512	2.0
99.08095	1.7
101.04234	1.2
105.01750	1.3
105.07024	20.5
107.08603	7.9
109.06519	2.7
109.10149	6.3
110.24947	1.3
111.08065	1.9
113.68016	1.2
115.05431	3.4
117.07007	36.6
119.08565	13.9
121.10128	6.8
123.08035	1.4
128.06218	6.0
129.06981	19.0
130.07765	4.4
131.08556	61.2
133.06496	3.5
133.10144	10.8
135.08031	2.8
135.11665	2.2
137.09500	2.8
141.06972	6.4
142.07773	4.7
143.08543	19.5
144.09326	2.1
145.06441	3.6
145.10109	77.4
146.10428	1.9
147.08037	3.9
147.11690	4.9
149.09618	4.0
155.08525	11.2
156.09329	2.2
157.10109	27.2
158.10901	1.6
159.08046	4.0
159.11673	33.4
161.09601	5.6
161.13242	2.5
163.11183	2.3
167.08562	1.4
168.09293	2.6
169.10114	15.9
171.11676	21.4
173.09618	3.3
173.11833	1.9
173.13222	14.5
175.11145	8.4
181.10135	1.6
182.10867	3.3
183.11670	19.6
184.12059	1.6
185.13260	8.7
187.11150	6.0
187.14786	2.9
189.12737	2.0
195.11620	1.4
197.13252	13.4
199.14825	5.1
201.12750	4.5
206.56706	1.2
210.13896	1.9
211.14815	4.1
213.16331	4.3
215.14305	2.9
215.17937	3.1
229.19536	6.1
239.17921	32.6
242.84560	1.2
257.18988	100.0
258.19284	1.9
258.27917	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	257.1897
Annotation	3-Deoxyestradiol
Peak:m/z	Relative Intensity
55.05490	7.1
57.07060	4.3
61.52073	2.0
67.05504	12.6
69.07058	7.5
69.94310	7.1
69.94717	4.4
70.06577	2.0
71.04976	5.3
72.08123	3.0
79.05472	7.1
79.65808	1.8
81.07045	9.8
83.04966	3.2
83.08597	4.5
85.06530	4.4
91.05482	11.7
92.45142	1.8
93.07025	17.6
95.04966	2.8
95.08584	8.5
105.07027	25.4
107.08578	14.0
107.31585	1.9
109.06506	6.2
109.10146	10.2
110.54311	1.8
111.08101	2.7
113.09634	2.1
115.05428	2.0
117.07007	10.4
119.08575	25.7
121.10127	67.6
123.08059	5.8
128.06219	3.2
129.07010	7.2
130.07770	2.1
131.08546	19.2
133.10138	9.6
135.08031	12.6
135.11684	4.6
137.09604	4.2
141.07013	2.7
142.07748	4.6
143.08517	20.2
144.09305	4.2
145.10118	31.6
147.04408	2.1
147.11673	5.4
149.09605	5.1
151.11211	2.1
153.89470	1.8
155.08543	5.7
156.09320	3.0
157.10107	22.2
158.10867	3.9
159.11667	29.2
161.09584	4.6
161.13231	2.2
162.33150	1.9
163.11176	7.9
165.85655	2.2
167.08560	2.2
169.03383	3.7
169.10124	11.9
170.10867	3.5
171.11655	17.8
173.09583	4.5
173.13248	24.3
174.13953	2.3
175.11227	3.0
175.14865	3.2
182.10948	2.5
183.11644	15.0
184.12514	2.2
185.13231	3.5
187.11188	7.1
187.14822	4.4
197.13269	10.9
199.14825	29.4
200.15347	2.3
201.12747	8.8
209.13333	2.5
211.14673	2.9
213.16393	11.8
214.17197	3.5
215.14253	2.0
215.17967	8.1
224.15604	3.0
239.17924	21.3
257.18985	100.0
257.26657	15.4
258.19315	2.9
258.27841	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	257.0806
Annotation	Pinocembrine
Peak:m/z	Relative Intensity
53.03927	0.7
67.01859	5.7
67.05530	0.5
68.99777	3.2
69.03412	1.6
70.05114	2.7
70.06569	1.5
77.03921	0.5
79.05480	2.6
81.03394	2.1
81.07051	0.7
83.01323	0.9
84.08135	1.3
85.02904	1.3
86.75990	0.5
90.72169	0.5
91.05466	3.0
95.01289	0.5
95.04961	0.8
95.08572	0.6
97.02869	1.5
103.05456	21.8
105.07024	1.4
107.04935	2.8
109.02872	1.5
110.07135	0.7
111.00771	0.7
113.05999	0.6
117.06960	0.9
118.35918	0.5
119.08554	0.5
123.04453	1.0
127.03883	1.6
128.83392	0.5
129.01796	1.0
131.04915	42.8
138.57726	0.6
141.06914	0.6
145.06436	0.8
151.03940	2.6
153.01811	100.0
154.02150	0.7
156.09248	0.5
159.08083	0.5
165.06982	0.5
169.06509	1.0
171.02873	22.5
173.05907	2.5
179.03415	1.0
183.07968	0.5
190.49751	0.5
191.07066	0.7
211.07484	0.8
215.07149	2.3
215.10687	0.5
232.53513	0.6
256.26605	0.5
257.08069	89.3
257.19040	1.5
257.26672	1.1
258.08487	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	257.1015
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23012	3.8
53.03928	6.1
55.01858	11.4
55.05512	23.8
55.97986	3.8
56.96563	7.1
57.03421	9.3
61.02917	71.0
62.24559	3.7
65.03913	4.0
67.05508	22.3
69.03428	5.8
69.07060	8.9
70.06583	7.1
70.10717	17.8
71.04986	6.6
72.08137	6.6
73.02905	10.3
78.62710	3.4
79.05491	26.8
81.03397	8.1
81.07050	57.8
83.01330	6.9
83.04998	4.0
84.08123	6.5
85.02903	5.8
86.09702	27.9
89.47908	3.6
91.03954	32.3
91.05474	24.8
93.07027	23.9
95.04967	26.2
95.08591	15.5
97.02862	5.7
98.21492	4.9
98.97572	11.0
105.07000	11.1
106.03709	4.4
107.04928	8.8
107.08599	10.0
109.06509	8.9
109.10151	10.6
111.04461	6.8
111.08067	100.0
112.85354	4.1
116.98612	6.7
119.08627	7.2
121.06481	7.2
121.10133	6.2
123.04361	4.4
123.08044	15.1
125.09605	7.8
127.07466	3.8
131.08580	4.5
133.06468	4.6
135.08070	3.9
137.05949	18.4
137.09590	5.8
139.07478	11.0
145.10117	5.8
147.08072	7.8
149.09654	5.9
151.07547	9.4
153.05492	6.8
154.00652	3.8
155.07059	4.6
165.09106	8.2
167.07047	6.8
188.02318	5.3
195.10106	27.6
211.09598	35.6
225.23982	3.7
228.09377	4.2
229.10620	4.4
239.07018	5.1
239.09061	18.1
254.04527	5.8
257.04507	4.3
257.07938	5.4
257.12912	8.6
257.18918	8.3
257.26636	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.0805
Annotation	3,7-dihydroxyflavanone
Peak:m/z	Relative Intensity
53.03921	0.8
55.01636	0.5
55.01867	5.8
55.05503	1.0
57.07073	0.5
65.03931	1.9
67.05496	5.3
68.99778	3.0
69.03424	1.1
69.07070	0.5
69.25185	0.4
70.79092	1.4
71.08624	0.4
74.82402	0.4
79.05473	1.0
81.03410	0.8
81.07041	1.2
83.01334	17.2
91.05452	0.8
93.03389	2.3
93.07026	0.7
95.04958	6.0
95.08581	0.7
99.00812	2.4
105.03395	3.3
105.07022	0.8
107.01314	2.9
109.02863	0.7
109.10153	0.8
117.06971	0.8
119.08610	0.6
123.00783	0.4
123.04412	3.2
127.03887	1.3
129.06984	0.6
131.08560	3.1
133.10091	0.7
137.02316	4.7
141.01814	9.0
143.08533	0.9
145.06477	0.5
145.10107	2.9
147.11694	0.5
151.03896	10.4
155.03369	5.4
155.08514	0.7
157.10016	0.7
159.11707	1.5
169.04956	3.2
169.10043	0.6
171.11743	0.9
173.13235	0.6
179.03377	85.0
180.03700	1.2
183.08075	0.8
197.04436	100.0
198.04820	1.7
225.09235	0.4
239.18030	0.9
256.26303	1.7
257.08072	40.8
257.18906	4.1
257.26633	5.1
258.08527	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.0653
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	12.8
53.78138	1.2
55.01865	6.3
55.05510	2.4
55.93521	1.7
56.05028	2.6
56.15382	1.1
56.96560	8.5
57.03435	6.7
57.07069	2.3
57.35846	1.1
58.06591	3.0
60.04528	1.5
61.02918	7.7
65.03929	3.9
67.05508	5.9
69.03432	8.7
70.06583	18.3
71.01368	1.3
71.04993	2.0
71.73563	2.1
72.08137	9.1
73.02905	2.9
79.05497	1.5
81.03410	61.8
81.07045	3.8
82.04169	5.1
83.01315	1.5
83.04969	12.5
83.06084	2.2
84.04500	5.7
84.08141	14.1
84.96045	1.4
85.02892	60.5
85.07623	1.8
86.09692	3.8
87.00802	1.3
88.07622	1.2
88.32158	1.2
90.94783	1.2
91.05464	6.4
93.07034	1.6
95.01327	21.0
95.04954	7.7
95.08582	1.8
96.08131	1.2
97.02880	11.5
97.06488	1.2
98.97556	10.4
99.04471	1.7
99.05521	1.3
101.02361	7.4
103.05448	3.4
105.03371	1.8
105.07024	2.4
107.04939	3.7
108.04469	5.2
109.02866	100.0
109.06537	1.4
110.03518	18.9
110.07168	5.8
110.97498	1.3
111.04425	5.3
112.07596	2.0
112.11231	5.1
113.02342	2.7
113.03487	3.4
114.03014	1.4
116.03448	2.3
116.07037	1.5
116.98589	7.7
119.01907	2.0
119.04951	5.2
121.02850	11.6
121.06482	2.2
122.03519	1.5
123.04408	7.7
124.05097	2.0
125.04621	3.6
125.07043	4.5
126.05480	4.9
126.07755	3.1
127.03897	22.7
127.04762	2.3
127.06120	2.7
128.04533	4.7
128.98596	1.9
129.01842	7.1
129.10240	5.8
129.13899	2.0
131.04903	2.5
133.02806	2.4
133.06531	1.5
134.99620	8.1
135.04413	2.5
136.01410	2.8
136.06158	6.1
136.07491	2.6
137.05948	6.3
139.03891	4.4
141.01801	6.5
144.95718	1.6
145.06624	1.5
146.99699	3.0
147.04396	4.6
149.02350	2.2
149.05968	2.9
150.02974	3.2
151.03899	3.0
152.04518	1.9
152.07042	4.0
153.04062	91.9
154.02444	24.2
154.04424	1.6
154.07193	2.0
155.07021	1.7
158.99643	2.7
160.07576	1.4
161.01311	1.6
161.02837	1.8
163.03975	1.8
165.01833	9.4
165.04079	2.7
165.05452	7.0
166.04930	1.8
167.03387	1.7
167.05746	2.1
168.04016	15.6
169.04938	1.8
169.09685	1.5
175.03932	3.1
177.00687	1.6
177.03983	4.6
177.05460	3.5
183.05289	6.7
183.06473	7.3
186.05003	1.4
193.03461	12.2
194.01984	1.9
195.06584	3.6
211.04474	56.5
211.06076	9.2
213.20787	2.5
219.01805	2.9
221.04495	3.2
229.04166	1.3
229.04865	2.0
229.06993	13.4
234.99005	3.8
239.03809	29.5
240.11212	2.4
240.17004	1.8
257.04794	55.8
257.11392	3.6
257.15030	3.8
257.19476	2.3
257.23038	2.4
257.26648	1.4
258.05627	1.8
258.09689	9.0
274.97482	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	257.0656
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	12.6
55.01867	5.0
55.05491	1.5
56.18227	0.9
56.96546	0.9
57.03423	4.4
61.02915	2.0
65.03934	9.1
67.05489	3.4
69.03410	1.3
69.66453	2.8
69.66870	3.7
70.06567	3.5
71.04976	1.2
72.08147	1.8
73.02900	1.5
79.05470	2.6
81.03409	55.1
81.07027	1.9
82.03746	1.4
82.04185	5.4
83.01327	1.3
83.04968	13.3
84.04505	2.2
84.08123	2.8
85.02898	27.1
86.09686	2.9
91.05462	5.4
91.20840	0.8
93.03388	2.4
93.07023	2.2
95.01326	22.9
95.04949	5.8
95.72339	0.9
96.17335	0.9
97.02864	7.2
98.20731	1.7
101.02365	5.1
103.05462	2.1
105.03384	1.6
107.04923	3.3
107.08649	1.1
109.02869	100.0
109.06534	1.1
110.03229	1.0
110.07134	1.1
111.04433	7.5
113.02328	4.5
119.04918	4.0
121.02852	29.4
121.06487	1.7
123.04399	6.9
127.03902	54.9
129.01813	1.7
131.04916	2.9
131.14670	0.9
133.02818	1.5
134.99585	0.8
135.04424	2.3
137.02266	1.7
137.05963	3.2
139.03899	2.7
141.01816	1.9
147.04460	4.7
149.02344	2.1
149.05992	3.8
151.03893	3.1
153.05498	1.3
155.07019	1.4
159.02895	0.9
159.04353	1.5
163.03868	3.1
165.01825	41.0
165.05470	3.9
167.03349	1.2
167.07001	1.2
168.02364	2.2
169.04955	1.7
175.03896	3.0
177.03975	1.7
177.05412	7.5
179.03407	1.4
183.02943	1.4
183.06508	3.7
183.08018	0.9
190.19899	1.0
193.04919	4.7
195.06503	2.5
203.03447	1.1
211.06000	11.5
211.33084	1.0
221.04396	5.3
229.07076	4.6
239.05460	20.2
257.06534	44.6
257.26706	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	256.2996
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07070	5.1
58.06587	1.3
60.08156	20.7
62.64039	0.2
65.09035	0.2
69.07044	0.3
70.02758	1.5
70.06573	0.4
71.08629	2.8
74.06053	0.3
84.04515	0.3
85.10179	1.0
88.07615	0.5
95.18668	0.2
96.90244	0.2
98.21419	0.5
98.98457	0.3
127.03902	0.3
140.43776	0.3
152.01236	0.3
161.99197	0.3
170.54413	0.3
182.09628	0.4
256.26468	3.1
256.29956	100.0
257.30249	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	256.9642
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45023	0.5
56.96556	17.9
57.56903	0.4
69.82649	2.0
69.83063	1.2
71.95263	2.7
84.08138	0.6
86.23780	0.5
98.21475	0.9
98.97569	100.0
99.93547	0.5
116.98604	81.3
119.01928	0.9
130.93251	2.3
132.34888	0.6
134.99637	39.0
140.00151	3.3
153.00688	4.7
158.01227	2.1
172.94328	3.8
177.00961	1.0
190.95375	5.7
194.82883	0.5
208.96410	2.5
214.95309	1.7
230.98584	0.6
232.96408	6.3
234.99678	1.4
250.97429	4.4
256.96387	11.0
257.96857	0.6
258.96249	0.6
266.95020	0.6
274.97470	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	256.2997
Annotation	N-Methyldioctylamine
Peak:m/z	Relative Intensity
55.01852	0.4
55.05499	0.8
57.07073	5.0
58.06587	2.0
60.08159	21.7
65.67475	0.4
67.05502	1.9
69.07069	0.4
70.06567	0.9
71.04963	1.4
71.08623	3.1
71.74572	0.6
72.05313	0.4
79.05483	0.8
81.03378	0.4
81.07028	1.5
83.08572	0.3
85.10157	1.3
88.07603	0.8
91.05466	0.9
93.07018	0.8
95.08574	1.0
98.98416	0.5
100.05099	0.4
105.07036	0.9
109.10113	0.5
112.30513	0.3
117.06994	1.2
119.04924	0.8
119.08581	0.7
123.04429	0.5
129.06940	0.4
131.08536	1.6
133.10094	0.8
143.08542	0.7
145.10107	2.2
147.04420	1.2
147.11649	0.7
155.08537	0.4
159.11635	0.8
166.58780	0.4
171.11649	0.6
183.11607	0.6
197.13231	0.8
216.95073	0.4
239.17908	1.0
256.26523	4.2
256.29968	100.0
257.08133	1.2
257.18976	3.1
257.30338	1.4
266.10373	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	256.0813
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.8
55.01862	3.6
56.05016	0.8
56.96540	0.6
57.03430	4.3
57.07071	0.8
57.31391	0.6
58.99846	2.4
61.02911	1.2
65.19471	0.7
68.05003	3.0
69.03404	2.5
70.06584	0.8
71.01339	1.0
71.04974	0.8
73.02898	2.9
77.00893	2.1
77.71302	0.6
80.05003	1.3
81.03390	5.8
82.01427	1.2
82.04202	0.7
83.04945	1.0
83.06087	1.7
84.04497	10.5
85.02896	8.3
86.06042	0.7
86.63343	0.5
87.04449	0.9
90.94765	0.6
91.05459	0.9
95.01311	1.9
95.01896	0.6
95.04952	1.0
96.04465	3.1
97.02879	11.3
97.07658	0.8
98.06042	1.4
99.02917	1.6
100.02467	7.8
101.00867	2.2
101.02425	0.9
103.02425	2.1
108.04439	0.7
109.02856	9.4
109.07647	0.7
110.07113	0.7
111.04426	0.7
114.05527	11.0
115.03920	2.0
117.03976	14.9
118.03482	4.7
119.01913	10.7
121.02811	0.7
123.04135	0.6
123.05540	2.4
124.03938	100.0
124.05862	2.6
124.08678	5.5
124.62222	0.6
125.04282	0.7
126.05508	2.2
127.02421	1.2
127.03902	12.6
127.04898	1.2
130.04974	7.9
133.04929	4.1
135.05019	16.3
136.07533	1.1
137.02963	5.5
140.05566	7.4
141.01781	0.8
142.03403	0.9
142.04980	5.5
142.91051	0.7
143.01877	3.9
145.03461	9.1
147.01427	1.0
150.04074	0.9
150.05493	0.8
154.04935	1.0
155.08119	7.2
158.06633	6.6
161.01614	0.9
161.02917	7.0
163.04520	5.9
164.07083	1.9
165.01852	0.8
165.05351	0.8
166.03517	2.7
166.08592	0.9
166.09827	0.8
168.05087	6.6
168.06425	1.3
170.03017	1.4
170.09291	0.7
171.01376	2.2
172.06017	1.5
179.03929	0.9
182.08195	1.4
184.04529	12.9
184.06021	1.1
186.06122	2.6
187.00807	1.0
189.02415	7.4
190.02626	1.0
191.06570	0.8
192.06566	2.6
193.04994	0.7
194.03008	1.7
203.81593	0.6
207.03459	4.2
207.06236	1.2
210.02463	6.0
210.07578	1.7
211.02658	0.7
211.06033	1.8
212.04004	5.2
212.10106	0.6
214.02097	1.0
226.07060	0.7
228.03647	1.4
228.08548	1.0
229.06946	1.1
230.05098	2.7
233.01517	1.0
238.06947	4.2
251.02423	1.2
256.03064	1.5
256.08124	6.4
256.12625	2.0
256.26328	6.7
257.06537	2.2
274.04138	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	256.0812
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	2.8
56.05027	0.5
56.96551	1.0
57.03434	4.5
58.99861	0.5
61.02897	1.3
69.03421	3.6
69.15183	0.5
70.06573	1.7
70.68694	1.4
71.01331	0.6
73.02909	3.6
80.05000	1.8
81.03400	0.4
83.06089	0.9
85.02898	4.3
87.04432	0.7
96.04437	0.8
97.02885	2.4
98.97559	0.9
100.02508	0.7
101.00878	1.1
101.57816	0.4
103.03994	0.6
109.02824	0.6
110.07114	0.6
113.02332	0.5
114.05502	1.3
115.02441	3.2
115.03884	2.4
117.03981	0.5
119.01904	4.9
123.05539	3.2
124.03941	100.0
124.08701	1.5
125.04313	0.8
127.03911	0.5
131.01891	1.8
133.03467	3.2
133.04953	4.3
137.02890	0.6
142.03479	3.1
143.01859	2.3
145.03452	1.0
152.07048	0.5
155.08128	2.5
157.03462	0.6
159.01418	0.6
160.04581	0.5
161.02922	2.7
170.09250	0.5
171.01387	1.0
173.02950	0.8
177.02460	0.7
182.02893	0.5
183.05197	0.4
187.00928	0.6
189.02420	1.2
189.04001	0.5
200.03973	0.5
207.03578	0.6
210.12378	0.5
212.04085	1.1
215.00343	0.5
233.01378	3.1
251.02455	7.1
256.03040	5.8
256.13000	1.2
256.26431	2.3
268.36523	0.4
274.04016	3.5
279.04568	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	256.0301
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	3.0
56.96533	0.7
57.03433	4.1
58.99854	4.6
61.02919	1.6
67.05505	0.9
67.41095	0.8
68.05010	1.9
69.03411	2.6
69.07068	1.0
71.01334	1.1
71.04955	0.8
71.74996	1.1
73.02898	2.1
77.00917	3.7
78.53066	0.7
80.05033	1.6
81.03412	2.6
82.01423	3.4
83.06089	0.9
83.08582	0.7
84.04492	6.2
85.02909	5.9
85.14098	0.8
86.06037	0.8
88.07602	1.3
95.01344	1.1
95.01931	1.2
95.04975	1.2
96.04475	2.6
97.02892	7.4
98.98470	1.0
99.02946	1.4
100.02473	12.7
101.00857	1.6
103.02447	3.4
106.56489	0.7
107.33261	0.7
108.08102	0.8
109.02840	3.8
109.74390	0.7
114.05526	5.8
115.02441	1.4
115.03922	2.0
117.03986	25.3
118.03500	8.3
119.01907	17.5
121.03463	2.2
123.05526	0.8
124.03944	100.0
124.05871	2.3
124.08694	4.7
126.05509	1.0
127.02397	2.0
127.03876	6.3
130.04988	4.7
132.07065	0.7
133.03423	1.5
133.04951	3.3
135.05017	25.7
137.02950	9.2
140.05559	12.4
141.51534	0.8
142.03511	1.7
142.05005	3.4
143.01842	5.1
144.99918	0.8
145.03442	16.5
147.01384	2.2
150.04044	0.9
155.08153	3.4
158.06630	12.4
161.02954	8.2
163.00835	1.2
163.04526	9.1
164.07033	1.5
166.03416	4.2
166.08560	0.9
168.05043	10.1
170.03012	2.4
171.01373	5.3
174.39861	0.9
179.04045	1.1
182.08084	0.8
182.09879	0.8
184.04532	19.6
186.06174	2.7
187.00938	1.3
189.02425	10.0
191.00304	1.2
191.06775	0.8
192.06578	1.8
194.03000	3.4
205.01930	1.4
207.03493	5.7
207.06270	1.4
210.02464	10.8
210.07620	1.7
212.04033	8.2
228.03577	2.3
230.05115	3.8
233.01465	1.9
233.04111	1.1
238.07236	2.0
251.02545	3.2
256.02948	2.0
256.08313	2.8
256.12167	1.0
256.15488	1.4
256.26379	4.9
274.04013	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	256.0299
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.5
55.01867	3.0
55.05504	0.5
56.05035	0.4
56.96543	1.1
57.03431	4.1
57.07061	0.6
58.99852	6.0
60.12341	0.4
61.02908	1.0
68.05022	1.4
69.03418	3.6
70.06575	1.0
71.01334	0.9
71.73866	0.9
73.02912	3.2
73.53618	0.5
77.00893	4.1
80.04993	1.6
81.03405	2.6
82.01435	2.7
83.04981	0.5
83.06089	1.9
84.04491	6.2
84.08121	0.4
85.02898	5.0
86.06057	0.9
87.04499	0.4
95.01385	0.6
95.01945	1.3
95.06018	0.4
96.04472	1.8
97.02871	5.3
97.07608	0.6
98.06041	1.3
98.98447	0.6
99.02927	1.3
99.04436	0.6
100.02473	15.8
101.00858	2.2
101.02468	0.6
103.02438	3.8
103.03945	0.5
107.04968	0.4
109.02870	2.7
109.07607	1.1
110.07139	0.8
114.05516	5.4
115.02421	1.3
115.03924	2.2
117.03984	29.1
118.03497	9.5
119.01909	20.5
121.03474	2.7
123.04077	0.7
123.05544	2.0
124.03941	100.0
124.08700	7.1
125.00816	0.7
125.04198	0.5
126.05504	1.2
127.02452	2.1
127.03905	6.3
127.05000	1.4
127.08674	0.6
130.04979	4.1
133.03459	1.7
133.04967	4.6
135.05022	29.4
136.05107	0.5
136.07491	0.5
137.02939	10.7
139.69455	0.4
140.05554	13.2
142.03465	2.4
142.04991	3.5
143.01884	7.6
144.05035	0.5
144.99857	1.1
145.03452	17.7
147.01385	2.6
150.04022	1.2
155.08125	6.2
156.07689	0.7
157.26268	0.5
158.06616	13.8
159.01254	0.5
160.04562	0.6
161.02934	11.6
163.00885	0.9
163.04512	10.4
164.06981	0.6
165.02463	1.0
166.03482	4.2
166.09761	1.9
168.05066	13.4
170.02992	2.7
170.09210	2.3
171.01338	5.0
179.04027	1.3
181.08167	1.5
182.08031	0.5
184.04550	22.7
186.06079	3.6
187.00911	1.7
188.04022	0.6
189.02435	13.1
190.02690	0.6
191.00365	1.6
191.06639	1.3
192.01447	1.1
192.06564	1.1
194.02945	2.9
196.00891	1.2
205.01929	1.4
207.03493	6.4
207.06145	1.8
210.02448	10.4
210.07619	1.4
212.04033	7.7
212.10301	0.6
214.01984	1.0
215.00253	0.7
228.03532	1.7
230.05106	4.8
232.02760	0.5
233.01440	2.6
233.03952	0.8
238.07217	1.4
251.02461	3.4
256.03067	3.3
256.08026	3.0
256.13028	2.0
256.26379	3.6
274.04095	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	255.1954
Annotation	Yingzhaosu D
Peak:m/z	Relative Intensity
53.03935	3.3
54.15778	1.4
55.01868	2.1
55.05498	7.6
56.96548	1.9
57.03431	11.8
57.07072	2.7
59.50276	1.4
65.03938	2.4
67.05502	32.9
69.07079	10.3
70.06588	1.6
71.04986	100.0
71.08637	1.7
71.74624	2.5
79.05492	22.5
81.07051	51.6
83.04986	5.5
83.08628	4.4
85.06538	13.8
91.05471	13.6
93.07037	40.1
95.02538	1.4
95.04954	4.5
95.08598	24.3
97.06506	7.6
98.98457	38.4
99.08083	5.3
100.98878	3.4
105.07009	7.5
107.08592	13.9
109.06494	3.7
109.10162	2.6
111.04484	2.2
111.08090	3.7
115.05492	1.9
116.99523	1.5
117.07019	11.3
119.08595	4.7
121.06449	1.7
121.10136	4.7
125.09634	2.7
129.06963	2.5
131.08554	12.2
133.10094	13.6
135.08089	2.6
135.11687	27.2
143.08539	3.0
145.10133	4.4
149.13232	16.6
153.06891	1.8
157.10143	3.2
159.08105	1.8
159.11685	27.8
161.09656	1.9
169.10095	2.4
171.11708	2.0
177.12733	16.5
185.13177	2.3
195.11804	1.8
195.13814	3.2
199.14893	1.6
209.11743	2.7
209.15450	3.7
213.12901	1.7
217.07501	2.0
223.16849	2.0
237.11153	2.5
237.16451	2.3
255.06563	5.9
255.17551	14.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1588
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	5.7
55.01858	6.1
55.05503	34.1
56.96550	3.7
57.03160	3.2
57.03431	51.5
57.07065	7.5
59.48314	1.9
67.05496	90.0
69.03422	3.1
69.07059	29.2
69.51399	20.6
70.06581	2.4
71.01347	5.8
71.04987	8.7
79.05482	83.4
81.03399	13.8
81.07046	45.9
83.04970	27.2
83.08583	10.2
84.08152	1.8
85.06531	6.4
91.05464	36.7
93.07033	89.3
95.04968	12.4
95.08608	19.8
97.06512	23.4
97.10152	19.8
98.21420	3.8
98.98452	48.0
99.08064	5.6
100.98910	2.5
103.05490	2.7
105.07035	9.7
107.04936	4.7
107.08583	59.8
108.00497	2.5
109.06512	3.9
109.10139	11.7
111.08057	3.3
116.99500	3.1
117.07018	8.3
119.08569	9.2
121.06498	3.5
121.10110	17.5
125.05905	2.4
125.09617	4.4
127.66540	2.2
128.06183	3.3
129.06891	2.1
130.07726	2.5
131.08577	3.2
133.10136	8.9
135.08012	3.1
135.11674	100.0
137.09624	5.8
142.07724	2.5
143.08574	5.1
145.10104	23.8
153.12668	4.9
157.10172	6.9
163.11163	13.2
169.10123	2.7
171.11710	5.4
173.09787	2.8
181.10037	2.9
181.12213	13.7
183.11729	2.5
185.09616	3.5
195.11693	3.0
199.07466	1.8
199.11250	3.2
213.12810	2.6
237.16396	4.1
237.22108	2.3
255.06581	8.2
255.10532	2.1
255.15593	51.6
255.20633	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	255.1588
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80829	2.1
53.03934	4.7
53.06445	2.1
55.01851	4.8
55.05505	38.5
56.96565	2.6
57.03429	49.3
57.07059	8.4
65.03906	2.4
67.05495	100.0
69.03400	4.5
69.07060	31.9
71.01329	6.5
71.04980	13.7
72.08140	4.8
79.05482	82.3
81.03409	11.3
81.07045	64.5
83.04969	25.0
83.08609	20.7
84.08134	3.4
85.02904	3.0
85.06529	4.0
91.04930	2.7
91.05473	42.7
93.07033	94.6
95.04970	13.0
95.08598	41.4
97.06516	26.6
97.10163	22.6
98.98455	62.3
99.04437	4.5
99.08084	3.8
100.98885	2.5
105.04464	3.1
105.07011	14.4
107.04927	4.6
107.08585	58.8
109.06499	4.8
109.10152	26.5
111.08057	6.3
116.99508	2.5
117.06979	12.4
119.08554	14.6
121.06504	3.7
121.10114	17.5
123.11732	2.3
125.09649	4.8
128.06207	3.8
128.77708	2.3
129.06969	8.6
131.08549	8.7
133.10121	12.1
135.08022	5.3
135.11678	90.5
137.09605	5.0
140.01010	3.3
142.07666	3.7
143.08560	10.6
145.10132	21.9
155.08527	4.4
157.10118	14.9
159.11664	4.7
163.11147	15.4
167.08594	3.6
169.10133	5.0
171.11745	10.7
173.09654	5.6
173.13226	4.4
175.03934	2.8
175.14844	7.7
181.10146	4.2
181.12209	14.4
183.11678	4.9
185.09554	3.2
185.13309	4.0
193.15875	6.6
195.11618	4.3
197.13272	4.3
199.11200	4.6
211.14822	3.3
213.16405	2.8
227.17908	4.5
228.19562	8.7
237.16420	8.4
255.06404	13.6
255.15845	37.1
255.17725	23.4
255.20912	4.9
256.19025	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	255.1588
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.5
55.01857	4.9
55.05510	29.4
57.03157	3.1
57.03432	49.8
57.07063	5.4
58.94096	1.5
60.67352	1.4
62.81383	1.5
65.03938	3.3
67.05499	88.1
69.03413	3.3
69.07058	25.6
69.53275	14.6
71.01344	4.8
71.04979	8.7
71.08610	2.4
74.45538	1.4
79.05486	75.6
81.03403	9.4
81.07050	41.4
83.04970	23.8
83.08607	9.9
85.06528	7.1
91.05471	36.5
93.07034	93.5
95.04958	12.8
95.08598	15.2
97.06524	24.6
97.10162	15.1
98.21426	2.7
98.98454	39.2
99.08089	5.1
100.98838	1.6
105.07027	11.7
107.04953	3.1
107.08581	52.8
109.06499	3.6
109.10152	13.1
111.08070	5.1
113.06074	1.6
116.99471	2.4
117.07021	10.8
118.08901	1.4
119.08561	13.0
121.02911	1.3
121.06492	3.7
121.10151	13.6
125.09584	2.3
128.06288	2.2
129.06935	3.2
131.08521	2.1
133.10121	9.0
135.08028	1.9
135.11682	100.0
137.09596	4.6
139.18532	1.4
142.07730	2.4
143.08540	6.3
145.10118	20.3
151.11200	1.8
153.12720	3.5
155.08536	3.7
156.09317	3.7
157.10118	7.2
159.11723	3.1
163.11174	14.5
165.07016	1.5
167.08440	2.0
167.56808	1.4
169.10092	3.8
171.11658	7.4
181.10120	4.9
181.12210	13.7
182.10887	2.5
183.11676	3.9
185.13278	3.2
195.11684	2.8
197.13338	8.7
199.11044	2.0
211.14850	3.8
213.12773	2.8
213.16411	4.9
222.14014	2.3
237.16402	5.0
255.06557	7.3
255.15887	36.3
255.17796	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	255.1586
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.2
55.01863	3.7
55.05506	29.8
56.96559	4.4
57.03429	52.7
57.07063	4.2
67.05498	82.0
69.03432	2.9
69.07059	30.2
69.72188	1.9
70.70572	3.9
70.70937	4.1
71.01340	5.5
71.04982	8.0
71.08623	2.0
79.05487	76.4
81.03417	10.0
81.07049	41.9
83.04974	22.5
83.08617	9.6
85.06541	5.8
86.06033	2.1
91.05469	38.6
93.07034	77.0
95.04961	10.9
95.08594	13.3
97.06522	22.6
97.10158	14.1
98.98450	25.1
99.08049	3.2
105.07038	11.8
107.04942	3.3
107.08582	49.5
109.06503	2.8
109.10139	10.5
111.08079	5.9
115.05437	2.3
117.07041	9.6
119.08569	12.8
121.06485	2.3
121.10153	11.6
125.09608	5.7
128.06239	3.3
129.07014	2.7
130.07831	2.5
133.10155	5.6
135.11681	100.0
137.09589	4.6
141.07037	2.3
142.07820	2.8
143.08554	8.4
143.78772	1.8
145.06450	2.4
145.10126	15.8
149.46384	1.8
150.24745	2.2
153.12752	2.9
155.08545	3.3
157.10120	4.7
159.11630	2.3
159.94763	1.9
163.11201	12.4
169.10170	3.6
171.11691	3.0
173.09621	3.1
177.61716	1.8
181.12244	12.9
183.11591	2.1
185.09608	3.5
185.13124	2.5
185.80516	2.2
195.11710	3.7
199.11223	4.2
227.17949	2.4
255.06526	3.9
255.10117	4.3
255.15569	43.2
255.18057	4.3
255.25183	10.2
256.26358	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1587
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.1
55.01859	4.9
55.05507	29.4
56.96553	5.2
57.03432	54.1
57.07061	6.0
65.03934	4.3
65.69119	1.6
67.05499	87.1
69.03428	2.8
69.07066	27.3
71.01346	5.0
71.04978	9.2
71.75226	3.5
75.06133	1.5
79.05489	81.6
81.03396	9.4
81.07050	47.4
83.04971	27.3
83.08624	10.2
84.29647	1.7
85.02877	1.6
85.06546	5.1
90.68121	1.5
91.05471	37.0
93.07034	77.9
95.04952	8.8
95.08608	13.7
97.06521	23.2
97.10166	17.9
98.98460	26.1
99.04456	2.6
99.08092	2.9
100.07658	2.0
100.98876	1.6
104.79906	1.5
105.07014	8.6
107.04965	3.6
107.08585	54.4
109.06522	3.7
109.10137	9.6
111.08089	4.9
113.70477	1.6
115.05438	2.5
117.07010	12.1
119.08546	11.6
121.06473	1.9
121.10136	15.3
122.63964	1.4
125.09638	5.2
128.06201	2.6
129.06981	4.5
131.08577	4.0
133.10135	7.9
135.08031	2.5
135.11682	100.0
137.09573	3.6
143.08533	6.9
145.10110	20.7
153.12727	4.8
155.08578	2.9
157.06532	2.5
157.10118	6.4
163.11200	11.1
165.07034	1.9
169.10130	3.8
171.11670	3.0
173.09634	1.8
181.10150	2.1
181.12244	14.3
183.11711	4.2
185.09653	3.1
195.11702	4.7
199.11180	4.7
199.13068	1.4
219.59354	1.5
222.29457	1.5
237.16483	1.8
255.06584	4.4
255.10228	7.4
255.15601	47.7
255.25153	7.5
256.26370	3.1
261.31509	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1225
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66641	0.9
53.03937	1.4
55.01854	3.4
55.05502	2.5
57.03426	16.8
57.07054	1.7
67.05484	2.4
69.07063	2.5
70.06588	6.8
71.04994	1.2
71.75043	1.6
72.08144	2.1
75.04480	8.0
77.03954	1.0
78.48185	0.9
79.05501	2.1
81.03410	1.7
81.07057	2.2
84.04497	2.0
84.08130	3.9
85.02890	1.4
86.09688	4.3
91.05468	18.3
92.06242	1.0
93.07040	5.5
95.04953	4.3
95.08583	1.2
97.06574	1.2
98.98455	28.6
100.98895	1.7
103.05455	45.9
105.03404	1.7
105.07012	3.5
107.04942	2.4
109.06489	3.8
110.03647	16.8
110.07143	3.0
111.04395	1.0
113.07059	0.9
116.07097	1.2
116.99592	1.3
119.04934	18.7
120.05699	3.1
120.08086	4.3
121.06491	8.9
122.03622	3.7
123.04415	36.5
124.05212	7.9
127.03893	1.2
131.04913	100.0
132.05235	1.0
133.06491	1.6
133.10057	1.2
135.04440	3.0
135.08047	4.0
135.11641	1.0
137.04915	2.2
137.05960	35.8
138.06744	30.5
138.07823	1.5
147.04379	3.0
147.08058	1.4
148.05170	1.7
149.05971	2.6
151.04012	1.1
151.07523	12.2
161.05933	1.7
163.03883	1.7
163.07529	39.6
166.06250	30.5
168.00548	1.2
175.07524	2.5
176.98952	1.1
178.06131	1.6
179.07071	4.5
180.07823	1.5
181.08582	21.0
187.76526	1.0
219.10188	1.4
255.06479	1.8
255.17551	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.0973
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	1.6
57.03425	2.9
61.02914	0.9
69.03410	1.7
70.06576	0.5
70.87522	0.4
70.87849	0.6
71.01343	0.6
73.02908	3.8
73.92398	0.4
74.63114	0.4
78.03448	0.8
78.43671	0.4
79.62099	0.3
80.05024	2.5
82.91223	0.4
85.02892	2.3
87.40948	0.4
94.34753	0.4
96.04478	0.7
97.02885	1.2
106.02915	5.0
107.22314	0.4
110.07140	1.1
115.03889	1.6
119.01927	0.6
122.94380	0.5
123.05537	100.0
124.03938	8.7
124.05880	0.8
133.04987	2.4
155.08141	0.9
156.07681	0.9
194.92867	0.4
213.05424	0.4
255.09624	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.0975
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.5
55.01865	2.5
55.05497	1.6
56.05030	0.7
56.96557	5.6
57.03427	4.2
57.07068	0.5
58.06570	0.5
59.04982	0.7
60.04519	0.8
61.02929	2.0
64.74079	0.4
66.28985	0.3
67.05474	0.7
69.03422	3.2
69.07043	1.3
70.02948	0.7
70.06583	6.3
71.01344	1.0
71.04982	0.5
71.73384	0.8
71.73753	0.4
72.07352	0.4
72.08144	2.6
73.02912	4.3
75.29694	0.4
77.00921	0.5
78.03453	0.6
79.05482	0.5
80.05022	3.2
81.03394	1.0
81.07040	1.0
82.06577	0.6
83.04963	0.6
83.06079	1.1
84.04488	1.4
84.08128	4.1
84.96043	0.5
85.02896	4.0
86.06038	0.4
86.09695	4.0
87.04462	0.8
90.94818	0.6
91.05441	0.7
93.04516	0.6
93.07019	0.4
95.01922	0.4
95.04984	0.7
95.06078	1.1
95.08595	0.6
96.04485	1.3
96.06377	0.7
97.02864	4.1
97.06513	0.6
98.09689	0.5
98.97594	1.9
98.98454	8.1
100.02498	0.5
100.07578	0.4
101.00859	1.2
106.02902	5.4
107.04974	0.9
109.02850	0.8
110.07153	9.7
111.07487	1.2
112.08688	0.5
112.11234	0.5
114.03009	2.2
115.02421	1.3
115.03914	1.6
116.07058	1.0
116.98635	1.9
116.99404	0.4
118.03490	0.6
119.01909	7.2
120.08108	1.3
122.06067	0.4
123.05537	100.0
124.03925	1.3
124.05886	0.8
125.07142	0.5
127.03900	1.4
128.98628	0.5
129.10210	1.2
131.01909	1.6
133.03444	1.8
133.04956	2.1
134.99646	1.6
136.04515	0.5
136.07568	0.8
137.02930	1.4
142.03497	1.6
142.29608	0.4
143.01846	1.2
143.33049	0.4
145.03468	0.9
145.04997	0.4
146.99634	0.6
147.04332	0.7
149.02980	0.4
152.07072	1.6
153.05705	0.5
156.07677	3.6
157.03476	0.7
159.01282	0.5
160.04724	0.8
161.01208	0.5
161.02945	2.0
161.06615	0.5
164.12686	0.9
165.08522	0.5
169.03615	0.4
169.05359	0.4
171.01382	0.4
171.05080	0.6
172.95290	0.7
173.02921	0.7
174.04350	0.7
177.00673	0.6
177.04388	0.4
182.03099	0.6
182.48215	0.4
183.05022	1.0
185.02884	1.0
186.09717	2.4
187.04570	0.5
196.11578	0.8
200.04071	0.6
203.03885	0.8
204.10786	0.9
209.14659	1.1
214.03885	0.6
214.09216	1.9
221.05072	0.9
232.04793	1.1
232.10280	6.4
233.01384	0.7
239.06079	0.6
243.05391	0.8
243.55305	0.8
245.05046	0.5
246.05214	0.4
251.02464	2.1
255.03868	1.1
255.09700	1.1
255.15157	1.6
256.03046	2.4
259.06427	0.5
274.04053	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.0973
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	2.6
56.05012	0.9
56.48306	0.7
56.64498	0.7
56.96571	0.7
57.03434	4.7
60.05618	0.7
68.65929	0.6
69.03416	2.5
70.06590	2.2
71.01309	0.8
71.74642	0.7
72.08149	1.5
72.20311	0.7
73.02901	3.1
74.02460	0.7
80.05008	3.1
81.03403	2.0
81.04504	0.7
83.06120	1.0
84.04443	1.1
85.02890	3.3
96.04493	0.9
97.02872	1.9
98.98454	2.9
106.02908	6.7
110.07151	14.5
112.02669	0.7
114.05550	1.6
115.03887	1.7
117.03977	1.9
118.03468	0.9
119.01907	1.6
123.05540	100.0
124.03947	17.1
124.04869	1.0
124.05882	1.7
124.08686	1.2
127.03911	1.4
130.09763	1.3
133.04990	3.4
135.05029	1.5
140.05502	0.7
143.09120	0.8
145.03432	0.9
155.08147	3.3
156.07671	5.5
158.06670	0.9
161.02960	1.4
174.88609	1.4
184.04555	1.5
189.02457	0.8
229.32578	0.7
237.13446	1.2
254.91312	2.5
255.10568	1.3
255.14578	4.6
256.12769	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.0649
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	0.3
55.05503	0.3
57.03415	0.2
57.07051	0.2
67.01559	0.2
67.01864	2.3
67.05478	0.4
68.99786	1.4
69.03403	0.2
69.07047	0.4
71.22337	0.4
71.80914	0.1
76.88168	0.1
79.05470	0.5
81.03399	0.1
81.07030	0.5
83.05027	0.2
83.08595	0.2
85.02905	0.1
91.05470	0.4
93.07010	0.4
95.04955	0.2
95.08602	0.3
98.98453	1.6
99.64404	0.1
103.05453	2.7
105.03386	1.0
105.07011	0.2
105.57514	0.2
107.08591	0.2
109.02867	0.1
109.10149	0.2
119.08559	0.2
119.55437	0.1
121.10140	0.3
123.08042	0.2
129.01808	0.4
129.03355	1.5
129.06973	0.2
133.10046	0.2
135.11674	0.3
141.06952	0.2
143.08467	0.2
147.04398	1.3
152.06189	0.2
153.01814	8.4
153.06964	0.4
156.09361	0.2
157.10039	0.3
171.02856	1.2
171.04369	0.5
171.11682	0.3
181.06441	0.3
186.06744	0.2
187.07529	0.5
199.07626	0.2
199.11266	0.2
202.16843	0.1
209.05943	1.0
213.05388	0.4
213.12639	0.2
231.00258	0.1
231.06552	0.4
237.05383	0.2
255.06499	100.0
256.06857	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	255.0628
Annotation	Unknow
Peak:m/z	Relative Intensity
54.70818	0.6
55.01855	2.6
55.05493	0.7
56.30034	0.5
56.96551	1.5
57.03428	4.7
61.02911	2.0
67.52617	0.6
69.03413	2.6
69.07050	1.0
70.06593	4.3
71.01342	0.8
71.71038	0.9
73.02907	4.5
78.03426	1.1
80.05003	3.0
81.03394	1.0
81.07032	0.7
83.04977	0.7
84.04509	0.5
85.02890	4.5
95.08588	0.6
96.04498	1.2
97.02880	2.7
98.97569	0.9
98.97751	0.9
98.98454	8.2
100.98881	0.9
101.00877	0.6
106.02918	5.7
110.07167	3.1
115.02454	0.7
115.03922	2.2
116.98638	0.7
119.01883	1.7
123.05541	100.0
124.03945	15.6
124.05823	0.7
124.08691	1.0
127.03886	0.8
130.09744	1.0
133.04926	2.5
134.99658	0.7
143.01973	0.8
144.99791	1.7
152.10724	0.6
156.07693	1.4
161.02991	1.7
163.00821	0.6
173.02991	1.4
185.02962	1.0
212.83548	0.5
227.03914	0.6
228.99715	0.6
251.02567	1.4
255.06343	1.4
255.14545	2.6
256.03009	0.9
274.03989	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.0643
Annotation	Chrysin
Peak:m/z	Relative Intensity
53.03930	0.1
55.01862	0.1
55.05493	0.4
56.96547	0.1
57.03426	0.6
57.07057	0.1
67.01859	2.5
67.05499	1.0
68.99781	1.6
69.03420	0.1
69.07050	0.4
69.64396	0.7
71.01354	0.1
71.04969	0.2
72.08148	0.1
78.32214	0.1
79.05480	0.9
81.03408	0.2
81.07043	0.8
83.04945	0.2
83.08588	0.2
84.08144	0.1
85.02879	0.1
85.06551	0.1
91.01801	0.1
91.05464	0.4
93.07036	0.9
95.04935	0.2
95.08588	0.4
97.02870	0.1
97.06498	0.3
97.10152	0.4
98.98435	1.0
103.05455	2.8
105.03373	1.3
105.07000	0.3
107.08580	0.7
109.02845	0.2
109.10131	0.3
111.00793	0.2
115.05395	0.2
117.07005	0.1
119.08569	0.2
121.10111	0.2
125.02338	0.2
127.03871	0.1
128.06224	0.1
129.01823	0.4
129.03342	1.8
129.06955	0.2
133.10001	0.1
135.11661	1.0
141.06914	0.1
143.08528	0.1
145.10126	0.4
147.03294	0.1
147.04395	1.6
152.06139	0.3
153.01808	9.2
153.06981	0.4
154.02092	0.2
157.06424	0.2
159.11716	0.1
163.11075	0.1
165.07024	0.1
167.04953	0.1
167.08553	0.1
167.80432	0.1
171.02917	1.5
171.04404	0.2
181.06436	0.4
181.10086	0.1
181.12155	0.2
186.06804	0.2
187.07509	0.5
197.13232	0.1
209.05923	1.1
213.05351	0.5
227.07048	0.2
231.06532	0.5
237.05391	0.2
255.06488	100.0
256.06833	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	254.1747
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30814	0.3
55.05502	1.8
55.05718	0.4
56.05029	0.3
57.03425	0.4
57.07050	0.5
58.02940	1.1
60.04510	0.7
61.02464	0.3
67.05496	1.1
67.85771	0.3
68.05006	0.4
69.07075	1.5
69.39624	0.8
69.40031	3.2
70.06577	0.7
71.04979	0.5
72.08138	0.9
76.03996	0.4
79.05502	2.6
80.05003	1.2
81.03409	0.3
81.07027	1.9
82.06570	0.4
83.04974	0.5
83.08571	0.7
84.08124	0.6
86.02425	0.3
86.06046	0.5
88.03973	1.3
91.05472	1.0
93.07030	4.6
94.06571	0.9
95.08591	1.2
96.08127	0.6
98.98447	4.3
105.07009	0.5
105.28537	0.4
106.06514	0.4
107.08583	2.4
108.08125	3.4
109.08921	0.4
110.09669	1.0
111.04478	0.5
120.08021	0.3
121.10124	0.8
122.09662	6.4
123.08058	0.5
123.10440	0.7
123.11694	0.4
126.05490	0.7
128.07072	0.8
133.10126	0.5
135.10535	0.5
135.11673	3.0
136.11191	2.6
138.05469	1.9
140.07045	0.8
142.08617	1.3
150.12762	3.3
151.13538	2.8
152.05879	0.4
152.07065	1.0
153.07875	0.9
153.12802	0.3
154.08589	0.9
156.06560	0.4
156.10210	1.1
160.44453	0.4
161.13193	0.5
164.14348	7.4
166.08539	2.0
166.12187	0.4
167.09441	0.5
168.10184	2.1
180.10179	3.4
181.10970	1.4
182.11789	1.0
208.13307	2.0
209.10789	1.0
210.14873	100.0
211.15297	1.7
212.16423	5.4
235.80997	0.3
237.97437	0.3
246.83368	0.3
254.13075	1.4
254.17496	43.3
255.06686	0.4
255.17763	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	254.9122
Annotation	Unknow
Peak:m/z	Relative Intensity
54.91281	1.0
55.01859	1.9
57.03423	2.7
60.05643	1.5
63.79486	1.0
67.52863	0.8
69.03419	1.5
70.06580	2.7
70.15938	0.9
70.29323	1.9
70.29720	2.4
72.08157	2.4
73.02903	3.3
78.03422	1.0
80.05004	3.7
81.03408	1.3
83.06056	0.9
84.08141	1.8
85.02893	2.8
98.98452	4.5
106.02914	6.7
110.07149	16.2
115.03915	1.6
123.05539	100.0
124.03967	1.3
133.04961	2.3
156.07678	7.2
185.02962	1.4
196.09663	1.1
198.98421	1.0
237.13426	1.2
245.05167	1.2
254.10292	2.4
254.91188	3.9
255.06404	1.1
255.10539	1.8
255.14488	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	253.1181
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.5
54.03466	0.6
55.05510	1.0
57.03432	6.4
57.07061	1.1
67.05495	1.3
69.03409	1.3
69.07075	1.0
69.88727	1.5
69.89156	0.9
70.06580	1.4
71.04984	0.5
72.08154	1.1
78.05385	0.4
79.05485	1.3
81.03428	0.5
81.04534	16.6
81.07040	3.4
82.05341	0.7
83.04971	0.5
83.06104	0.9
83.08627	0.6
84.04527	0.5
84.08140	1.6
85.02890	0.5
86.09688	0.5
89.71672	0.4
91.05482	1.4
93.07040	1.1
94.06564	0.7
95.04974	0.7
95.06082	1.3
95.08615	2.2
97.02893	0.7
97.06506	0.5
98.09674	0.4
98.21483	0.4
98.98457	64.9
99.04502	0.4
99.05594	0.7
99.08096	0.6
100.98880	1.1
103.05423	0.4
105.07034	1.1
107.04958	0.9
107.06081	0.5
107.08552	0.6
108.08178	0.5
109.03990	100.0
109.10111	0.5
110.04313	0.6
110.07140	0.5
111.05558	5.7
112.01587	0.4
116.98734	0.6
116.99455	2.3
117.06949	0.5
118.06522	0.6
119.08576	0.6
120.08065	1.1
121.10142	0.7
122.26067	0.4
123.04457	0.4
123.05535	1.2
123.07999	0.4
123.11699	0.6
135.04413	0.6
135.08133	0.4
135.09180	1.8
136.07529	0.7
137.02431	0.6
137.03424	2.8
137.05946	0.5
140.00990	0.4
141.05420	0.7
143.92497	0.4
144.08049	0.5
146.09627	0.5
147.04451	0.5
147.09140	1.0
149.07129	0.5
151.11130	0.5
151.12294	1.4
152.10646	0.5
155.04498	40.7
161.05954	0.6
161.10751	2.2
163.08623	1.1
163.12401	0.6
165.10251	1.5
174.99266	1.2
176.98904	1.3
179.10448	0.4
179.11827	2.8
185.23817	0.4
190.08656	0.6
191.11790	1.5
197.11665	1.5
207.11311	2.4
209.09293	0.9
209.12845	0.5
210.11426	0.5
210.14905	0.5
210.18546	0.7
218.08076	0.9
235.10773	1.4
235.13115	0.5
236.09166	7.8
252.98595	0.5
253.11819	32.0
254.12166	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1797
Annotation	Juvenile hormone III acid
Peak:m/z	Relative Intensity
55.01847	1.8
55.05513	5.7
57.03430	3.8
57.07064	4.1
65.03927	1.3
67.05498	19.2
69.03426	3.9
69.07065	9.8
70.06575	2.3
71.04985	41.6
71.74760	2.2
72.08147	3.1
72.33780	1.2
76.40332	1.1
77.83069	1.0
79.05482	8.8
81.03413	1.5
81.07043	21.6
83.04968	3.1
83.08601	4.9
84.08141	2.3
85.02878	1.7
85.06543	4.2
87.08129	1.7
89.06039	2.6
91.05464	9.5
93.07037	22.3
95.04462	1.5
95.04971	13.4
95.08587	12.5
97.06531	4.8
97.10143	2.6
98.98457	100.0
99.08113	1.9
100.98890	2.1
101.06001	1.2
105.07024	21.9
107.04939	1.3
107.08585	35.5
109.05806	1.4
109.06507	3.9
109.10149	33.1
111.08051	2.8
113.06006	6.7
115.05509	1.3
116.07088	1.1
116.99479	2.8
119.08577	16.2
121.06477	2.4
121.10136	24.1
123.08068	4.0
123.11691	7.1
125.09587	7.6
127.07549	2.6
127.11169	5.0
131.08543	5.0
133.10127	12.6
135.08064	4.3
135.11699	11.9
137.09581	8.0
143.08569	1.6
145.10114	9.1
147.11674	18.9
149.09598	7.0
149.13226	2.7
151.11185	2.0
153.12718	7.6
157.10139	2.8
159.11693	3.0
161.09549	3.2
161.13245	1.4
163.11107	1.4
165.06932	1.6
165.09158	2.1
165.12746	6.0
166.15930	2.2
167.14265	1.4
171.11632	1.3
175.11157	3.4
175.14803	11.8
176.99011	1.3
177.12691	1.4
179.10651	2.3
189.16386	7.5
191.17972	1.4
193.15894	5.1
197.11705	2.7
199.14839	2.3
207.17433	2.9
210.18588	4.9
217.15880	11.9
217.19543	1.5
225.09250	1.4
235.13234	1.4
235.16925	17.4
253.08508	1.9
253.14211	2.4
253.17944	7.5
253.22014	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	254.1497
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	3.2
56.05033	2.9
56.96557	6.4
57.03440	2.5
67.05492	1.0
68.05023	2.0
69.03416	1.3
69.07085	0.7
70.06579	7.4
71.05007	0.7
71.06931	0.7
72.08147	4.2
73.02908	0.8
79.05479	4.1
81.03397	1.6
81.04539	2.2
81.07047	16.0
82.05306	3.8
83.06087	16.4
84.04498	1.5
84.08115	4.4
85.02892	2.7
86.09713	1.4
93.04520	10.6
94.06574	1.1
95.06080	25.3
97.02888	2.1
98.06052	5.0
98.97595	3.9
98.98454	18.2
98.99070	1.0
99.08163	0.7
100.98872	0.9
102.05519	0.8
103.05473	1.1
107.06044	1.1
110.07150	94.8
111.05569	3.5
111.07452	1.3
112.07558	1.0
112.08737	2.7
114.03011	1.1
116.07080	1.3
116.98589	2.4
116.99430	1.0
119.01802	0.8
119.06054	0.7
120.05579	0.7
120.06859	0.7
120.08099	6.3
121.05083	0.7
121.07674	1.3
121.08423	5.7
122.08359	0.9
123.04433	1.1
123.05534	2.5
124.07513	0.9
125.07099	3.4
127.03906	1.3
128.98563	1.1
129.10107	0.8
133.07509	0.7
134.06033	1.2
134.99637	2.1
136.06155	2.5
136.07545	1.6
139.03899	0.9
144.70865	0.7
148.03937	1.8
151.12244	1.3
153.04048	1.1
156.07658	4.0
162.05452	0.9
163.12288	48.6
165.10210	0.7
166.04939	2.8
166.06143	1.0
167.11728	2.8
180.05090	1.3
180.12579	2.2
181.13342	1.7
188.92427	1.6
190.11783	1.0
190.13373	17.0
193.13356	5.6
194.12805	1.9
195.09521	1.1
195.11267	15.6
208.14439	66.7
209.12772	4.2
209.14575	1.5
210.15990	1.1
236.13908	1.8
237.02715	0.8
237.13628	0.8
248.99092	3.2
254.14920	100.0
255.09656	0.9
255.15175	2.3
267.00278	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	252.9508
Annotation	Unknow
Peak:m/z	Relative Intensity
67.30403	5.7
70.06223	7.7
70.06589	99.3
70.41920	13.7
70.42316	13.7
90.09190	6.8
90.76801	5.8
91.09518	7.8
94.92991	44.3
96.72874	7.6
98.98452	22.6
120.93723	8.6
120.94544	100.0
136.94061	7.9
148.94006	50.0
156.05029	28.3
156.06308	5.3
160.94009	12.8
174.06052	8.2
192.07158	6.3
192.92996	88.7
207.09714	13.5
228.54405	6.6
235.09308	22.5
241.33151	6.8
252.95135	66.0
253.10272	19.6
271.11398	58.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.0816
Annotation	5-Hydroxy-N-formylkynurenine
Peak:m/z	Relative Intensity
53.04189	0.6
54.06213	0.6
55.05499	1.3
57.07062	2.2
57.68847	0.5
60.04540	0.9
65.03912	0.8
67.05493	1.9
69.03422	1.9
69.07064	2.3
70.06577	1.9
71.04987	0.7
71.08617	0.7
71.50029	1.5
74.02423	2.0
79.05481	1.3
80.05037	0.7
81.03392	0.8
81.07053	2.9
84.08137	2.9
91.05458	1.5
93.07023	0.8
95.04974	1.2
95.08592	2.2
96.04478	0.9
97.02867	0.6
98.98460	100.0
100.98893	1.0
106.06530	2.8
108.04438	1.0
108.08135	0.7
109.02884	0.7
109.10117	1.0
110.06030	1.8
110.07175	1.3
116.04994	0.8
116.73055	0.6
116.99510	3.9
118.06530	1.5
120.04438	0.9
120.08121	1.1
123.11617	0.6
124.03975	0.6
124.68950	0.5
126.05496	1.5
127.03967	0.7
130.06485	0.6
133.07588	1.1
133.10074	1.0
134.06004	13.6
136.03934	1.1
137.04671	0.8
140.01051	0.9
141.05447	1.3
144.04402	1.3
145.07559	0.7
146.05998	20.0
147.05472	0.8
147.06796	0.6
148.03922	1.7
149.04761	0.9
152.07021	0.9
158.06075	0.9
161.04779	0.7
161.07123	3.1
162.05487	30.7
163.06114	0.6
164.03442	7.5
171.05562	0.8
172.03964	0.9
173.07126	1.9
174.05527	1.2
174.99141	1.0
176.98961	1.7
179.08209	1.0
179.10660	0.8
180.06444	1.0
187.82587	0.6
189.06569	3.2
190.05000	6.7
191.08131	1.1
192.06541	0.8
197.11784	2.5
203.05815	0.9
207.07643	11.2
207.09398	0.9
208.06151	0.6
219.07661	2.0
220.08403	2.8
235.07143	2.8
236.05496	1.7
236.07915	2.1
253.08250	7.3
253.17783	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1182
Annotation	H-Ser-Phe-OH
Peak:m/z	Relative Intensity
55.01893	1.2
55.05516	1.3
56.05041	0.6
57.03414	0.6
57.07074	2.4
57.21783	0.5
60.04525	61.3
67.05492	1.8
67.42873	0.5
68.42276	0.6
69.03436	1.2
69.07071	1.9
70.02943	1.1
70.06588	2.7
71.05002	0.7
71.46918	0.9
72.08147	0.9
74.09716	0.5
79.05490	2.5
81.03408	0.9
81.04547	0.9
81.07051	3.7
82.05328	1.5
83.06120	0.8
84.04527	0.9
84.08143	3.0
85.02917	1.1
87.05593	2.4
91.05469	2.2
93.07039	1.9
95.04976	0.7
95.08617	2.9
97.02894	0.9
98.98466	98.5
100.98908	1.3
103.05468	3.8
105.03403	0.8
105.07027	1.1
107.04937	3.0
109.02896	0.6
109.06533	0.9
109.10157	1.2
110.07164	1.3
111.04466	0.6
111.05545	0.6
112.08759	0.5
115.05457	0.7
116.99498	4.3
119.04983	1.2
119.07301	0.7
120.08102	100.0
121.02876	1.1
121.08459	1.9
121.10210	0.6
123.04408	0.8
129.10324	0.8
131.04916	3.9
132.08064	0.8
133.02832	1.0
135.04391	0.8
136.07545	0.6
137.05980	0.7
141.05443	1.3
144.08072	1.9
145.06419	0.6
147.04356	1.1
147.11607	0.5
149.05963	1.9
151.03836	0.7
153.09195	0.5
155.04399	0.8
160.07608	0.7
162.09122	2.3
163.03859	1.6
164.03452	0.9
165.05528	0.9
166.08638	57.7
167.03436	0.8
167.06891	0.6
167.09009	0.7
174.99260	1.5
175.03931	1.1
176.98915	1.3
179.03403	2.2
193.04921	2.1
197.11746	2.5
206.08170	1.1
207.11292	14.5
221.04366	1.9
235.05858	0.6
235.10814	4.0
253.06970	0.9
253.08803	0.8
253.11848	10.1
253.16003	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	252.0864
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53703	0.2
67.05506	0.3
68.99780	0.4
70.02948	0.5
70.06563	0.4
70.99956	0.5
71.00300	0.3
72.08156	0.3
79.05505	0.3
84.08147	1.0
86.09702	0.3
87.00805	2.2
91.05450	1.1
93.07028	1.5
98.98455	6.9
103.05453	7.6
104.03490	0.3
107.04921	0.8
110.07148	0.3
116.99556	0.4
118.06532	10.4
119.06985	0.2
120.08089	100.0
121.08427	1.5
126.09209	0.3
128.04953	1.4
131.04933	0.5
136.06235	0.2
144.08076	0.4
146.05991	20.0
147.06387	0.3
148.07567	0.3
149.03400	0.2
160.07590	0.3
164.07060	0.6
166.08618	1.7
188.07047	16.4
189.07419	0.5
192.06616	1.2
200.10896	0.3
206.08102	57.2
207.08467	1.6
234.07570	1.1
252.08783	0.5
252.12251	0.5
264.28949	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	252.0863
Annotation	Unknow
Peak:m/z	Relative Intensity
55.95684	0.3
68.99792	0.6
69.44590	1.0
69.45020	2.2
70.02944	0.6
78.72192	0.3
87.00822	2.0
91.05459	1.1
93.07040	1.4
103.04819	0.6
103.05461	7.0
107.04969	0.3
108.70331	0.4
110.25501	0.3
118.05853	0.2
118.06525	10.1
120.08091	100.0
121.08437	1.6
128.04930	1.3
131.04926	0.5
133.92079	0.3
146.05994	19.2
148.07619	0.4
164.06999	0.4
166.08641	1.9
188.07047	18.2
192.06567	1.0
206.08109	61.0
207.08452	1.3
216.06639	0.5
234.07597	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	252.109
Annotation	5'-Deoxyadenosine
Peak:m/z	Relative Intensity
50.31259	0.2
50.49829	0.2
52.38603	0.2
57.07056	0.2
59.19668	0.2
69.03418	0.3
70.06601	0.4
71.04980	0.5
71.14115	0.4
72.08151	0.2
73.02915	1.0
81.03425	0.3
84.04530	0.3
84.08141	1.1
86.09693	0.4
93.50660	0.2
93.70123	0.2
94.04057	0.5
98.21259	0.4
98.98467	3.8
99.04451	1.0
105.00056	0.2
110.07137	0.3
117.05478	2.3
119.02802	0.2
119.03528	1.2
129.10165	0.3
136.06174	100.0
137.04572	0.6
137.06516	0.6
201.57034	0.2
225.48967	0.2
252.10924	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	252.1227
Annotation	dimethachlor OXA
Peak:m/z	Relative Intensity
53.03938	0.4
55.05503	0.6
57.03431	3.5
58.32322	0.3
67.05508	0.5
69.07078	0.4
69.93354	2.1
70.06586	0.9
72.08129	0.7
79.05492	2.2
81.03418	0.3
81.07041	0.9
84.04500	0.6
84.08128	1.3
85.02894	30.4
86.09707	0.5
87.04464	0.3
91.05466	0.6
93.07026	0.5
95.04921	0.6
98.98454	19.1
103.05442	1.1
105.07017	100.0
106.06718	0.3
106.07362	1.5
108.08081	0.3
109.02879	0.5
109.10172	0.4
110.07188	0.4
116.99491	0.9
118.06508	0.4
119.08620	0.4
120.08092	1.2
121.10065	0.3
122.09651	53.6
123.09991	0.6
126.09138	0.4
130.05061	0.3
130.06516	0.4
130.80249	0.3
131.03381	0.9
136.06187	3.1
138.09126	1.0
141.01295	0.3
177.09070	0.3
188.10649	3.2
206.11737	40.0
207.12086	0.8
234.11217	1.1
234.15242	0.5
252.12282	11.4
252.14485	0.9
252.19617	0.5
252.23325	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.175
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	2.0
56.96550	0.9
60.03282	0.3
67.05495	1.6
68.05016	0.8
69.05792	1.5
69.07067	1.0
70.06585	6.7
70.49290	0.4
71.04962	0.6
77.01563	0.5
79.05467	1.1
80.04986	0.6
81.07032	1.7
82.06578	0.9
83.08607	0.4
84.08125	0.9
86.92065	0.3
91.05460	0.7
93.07027	1.0
95.08589	1.4
96.08147	0.5
97.06481	0.6
98.98451	100.0
105.07032	0.7
107.08590	0.9
108.08111	0.6
109.06467	0.6
109.07631	7.8
109.10160	0.4
110.09629	0.8
116.99486	4.4
119.08568	0.5
120.08051	0.8
123.08035	0.4
140.01071	1.8
163.07475	0.4
174.99219	3.2
205.98734	0.8
206.15314	0.5
224.16415	22.4
225.16771	0.6
229.07494	0.7
251.17545	27.7
251.19742	1.1
252.12270	0.9
252.17960	0.5
272.05609	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1752
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	0.7
56.05023	0.6
56.96555	0.4
57.03423	0.3
57.07064	0.4
58.06594	1.5
58.33836	0.2
60.00898	0.3
60.04523	0.4
67.05489	0.9
69.07062	0.6
70.06585	3.4
71.04977	0.5
71.74096	0.5
72.08137	1.8
76.81148	0.3
77.01591	0.4
79.05485	0.8
81.03390	0.8
81.07027	0.4
84.04498	0.9
84.08132	33.1
85.02924	0.3
85.08444	0.3
86.09693	1.8
91.05464	1.0
93.07027	1.1
95.04964	0.9
95.06068	0.4
95.08604	0.7
97.06528	0.4
98.98454	100.0
104.05341	0.3
105.07045	0.4
107.04946	0.7
107.08611	0.7
109.02934	0.4
109.06585	0.4
109.10134	0.5
110.07126	1.5
116.99491	4.1
117.07021	0.4
119.08575	0.3
120.08092	0.8
121.06489	8.1
121.10144	0.6
127.12300	16.1
129.10226	0.8
131.08507	1.8
133.10138	0.3
135.08009	0.4
136.06172	11.4
137.05954	5.9
140.01056	0.8
149.05969	1.6
149.09581	1.4
151.07539	0.5
156.07660	0.4
159.08060	1.2
162.07756	0.6
165.95697	0.3
174.99216	2.8
177.09091	10.7
179.10751	0.3
192.06618	0.4
208.13336	1.2
234.14903	0.9
242.66635	0.4
251.05222	0.7
251.10069	0.4
251.17604	8.9
251.20123	0.8
255.70444	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.2003
Annotation	Methyl farnesoate
Peak:m/z	Relative Intensity
53.03944	0.5
55.01844	0.4
55.05511	2.7
56.11322	0.4
57.03425	0.5
57.07057	1.3
59.04988	0.5
59.06511	0.3
62.04262	0.4
62.72047	0.4
67.05498	16.4
69.07060	2.8
71.74825	0.4
71.75285	0.4
79.05479	5.5
81.07045	15.1
83.04964	0.5
83.08605	1.7
85.06558	0.6
91.05460	2.8
92.73553	0.4
93.07034	4.8
95.04955	1.0
95.08598	13.3
95.76649	0.4
97.06524	1.8
97.10112	0.9
98.98455	100.0
101.00574	0.4
105.07025	1.6
107.08574	3.4
109.06483	0.9
109.10141	5.7
110.05991	0.4
111.08069	1.3
116.99481	3.7
117.07004	0.7
119.08581	2.0
120.08102	0.7
121.10151	4.4
123.11708	1.8
131.08565	1.0
133.10104	2.6
135.11638	3.3
137.09657	0.7
137.13234	0.5
138.21057	0.5
140.01064	1.9
145.10136	1.2
147.11740	0.5
149.09630	0.5
149.13266	1.1
151.11150	1.3
152.04723	0.5
159.11636	0.7
173.13203	0.7
174.99223	3.0
177.12646	0.4
215.17920	2.5
233.19032	1.3
251.05186	0.4
251.16409	1.0
251.20039	6.0
252.14632	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.164
Annotation	6-Hydroxy-14-sesquilimonenoic acid
Peak:m/z	Relative Intensity
53.03936	2.2
55.01863	1.6
55.05510	4.2
56.96561	3.8
57.03421	1.4
57.07068	1.0
59.04986	0.6
65.03930	1.5
67.05499	20.5
69.03431	0.8
69.07069	4.6
70.06601	1.1
70.42772	1.6
71.04974	1.6
71.95258	0.5
72.08134	1.0
73.06565	0.6
79.05490	13.0
81.03412	26.1
81.07049	20.7
83.04978	2.5
83.08598	2.3
84.08108	0.7
85.02901	0.4
85.06544	1.1
91.05471	12.4
93.07037	9.6
95.04960	28.7
95.08595	10.3
97.06533	2.0
98.98459	100.0
99.08054	0.8
102.43112	0.4
103.05462	0.9
105.07019	10.8
107.04939	1.8
107.08584	5.1
108.08929	0.5
109.06509	7.3
109.10178	3.0
111.08099	0.9
115.05486	0.6
116.99485	3.4
117.06999	4.4
119.04930	0.6
119.08571	7.4
121.06493	7.6
121.10159	4.0
123.04438	0.9
123.08058	3.1
123.11687	1.9
125.09634	0.5
126.09161	0.6
127.03848	0.5
127.07527	0.5
129.06995	2.9
131.08560	13.6
133.06502	1.5
133.10115	2.6
135.08061	3.8
135.11647	1.0
137.02716	0.6
137.05980	0.5
137.09604	1.5
140.01088	1.4
141.06950	0.6
145.10117	5.6
147.08047	1.2
147.11668	2.8
149.09627	1.8
149.13275	1.3
151.07597	0.6
151.11142	0.5
155.08537	1.7
157.10161	0.8
159.11707	1.9
161.13203	0.5
166.26224	0.5
169.10130	1.3
171.11679	2.3
173.09590	0.7
173.13278	3.0
174.99197	3.3
180.17386	0.4
187.11232	0.6
187.14777	4.7
189.12755	1.0
191.11896	1.6
191.14349	0.6
195.11990	0.7
197.13245	2.9
205.12425	0.5
205.15926	1.5
213.08037	1.7
215.14265	3.6
223.17029	0.5
231.09097	1.7
233.15355	8.9
251.04840	0.6
251.09357	0.7
251.16382	10.1
251.20314	0.7
252.12346	1.1
269.10611	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	251.1751
Annotation	Camoensidine N-oxide
Peak:m/z	Relative Intensity
51.93372	0.3
55.05505	2.3
56.96564	0.5
59.04951	0.4
65.03951	0.3
67.05493	1.4
68.05022	1.5
69.03433	0.5
69.05799	2.4
69.07063	1.1
70.06583	10.5
70.73551	1.0
71.04987	0.5
79.05481	1.4
81.05792	1.0
81.07044	1.6
82.06559	2.0
83.04974	0.5
83.07350	0.4
84.08121	1.2
91.05465	0.7
93.07053	1.6
94.06548	0.8
95.04965	0.5
95.07329	1.1
95.08604	2.3
96.04502	0.4
96.08115	1.2
98.98456	100.0
105.07040	0.8
107.08640	0.4
108.08111	1.6
109.07629	10.9
109.08889	1.0
109.10175	0.8
110.09681	1.5
116.99474	3.5
119.08580	0.7
120.08120	1.1
121.10115	0.3
129.06987	0.4
131.08640	0.4
135.08028	0.6
140.01074	1.8
145.10112	0.6
157.39334	0.4
163.97699	0.4
174.99161	2.9
205.98856	0.5
206.15337	0.9
224.16434	53.8
225.16713	0.8
233.16512	0.6
251.17558	35.7
252.12372	0.6
252.18034	0.7
269.10553	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1639
Annotation	6-Hydroxy-14-sesquilimonenoic acid
Peak:m/z	Relative Intensity
53.03932	1.0
55.01850	0.8
55.05502	2.9
55.71153	0.3
56.82199	0.4
56.96556	1.8
57.03415	0.6
57.07063	0.7
59.04987	0.4
65.03925	0.5
67.05496	12.0
67.95686	0.4
69.03400	0.8
69.07056	2.7
70.06621	0.4
71.04974	1.2
71.75210	0.6
71.95273	0.6
79.05482	8.6
81.03403	2.8
81.07044	12.3
83.04967	1.5
83.08602	1.4
85.06497	0.7
91.05466	9.9
93.07022	6.3
93.07578	0.5
95.04953	4.5
95.08591	8.8
97.06509	1.1
98.98452	100.0
100.12607	0.3
103.05444	0.4
105.07014	8.3
107.04948	2.1
107.08572	2.5
109.06517	2.8
109.10139	4.8
115.05437	0.7
116.99509	3.4
117.07011	3.0
119.08559	5.9
121.06468	1.9
121.10122	1.5
123.08063	1.2
123.11706	0.8
129.07005	1.5
131.08542	5.7
133.10120	1.9
135.08022	1.2
135.11693	1.1
137.09555	0.4
140.01057	1.7
141.06969	0.4
143.08475	0.6
145.10083	2.3
147.08113	0.4
147.11665	0.6
149.09589	0.9
151.11250	0.4
152.04601	0.4
155.08507	1.0
159.11710	0.9
167.08412	0.4
168.57695	0.4
169.10146	0.7
171.11673	0.6
173.13264	1.5
174.99187	3.4
185.13184	0.4
187.14856	1.3
195.13838	0.4
197.13237	1.0
205.15887	1.6
213.07945	0.9
215.14299	1.5
231.09009	1.0
233.15346	5.5
233.18936	0.6
251.04985	0.5
251.09387	0.8
251.16373	5.1
251.20056	2.2
252.12259	0.6
269.10513	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	251.164
Annotation	7-Isobutyryloxythymol methyl ether
Peak:m/z	Relative Intensity
50.24995	0.5
50.59965	0.7
52.72901	0.6
54.03964	0.6
55.01868	1.8
55.05503	1.5
55.39516	0.6
58.36219	0.7
59.04986	0.9
65.03927	1.1
67.05502	8.2
69.07066	1.5
70.02969	2.5
70.03376	1.1
71.04994	2.0
79.05481	8.1
81.03391	0.7
81.07047	16.2
83.04973	1.5
85.02895	2.1
86.90548	0.6
91.05471	9.2
93.07046	6.6
95.04960	100.0
95.08599	8.7
96.05299	1.5
97.06503	2.5
98.98457	94.7
105.07032	6.9
107.08588	3.8
109.06511	4.1
109.10155	0.8
114.94148	0.7
115.05417	0.7
116.99511	3.4
117.06997	4.8
119.08572	8.0
121.06491	5.5
121.10124	5.4
123.08068	6.4
125.05977	1.0
129.07018	1.7
131.08554	1.6
133.10132	1.2
134.79388	0.6
135.08043	2.1
135.11681	5.0
140.01039	2.6
141.06949	1.0
143.08583	1.8
145.06538	1.3
145.10107	16.9
147.08041	8.9
159.11690	6.1
161.09630	2.0
163.11172	30.4
169.10089	2.5
174.99257	3.8
177.12775	3.2
187.11150	8.1
205.12212	7.4
233.15311	1.8
251.16298	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	251.1386
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19443	0.3
53.03950	0.4
55.01866	0.3
55.05502	0.9
56.05030	1.4
56.33222	0.3
57.03431	0.4
57.07074	0.5
59.04996	0.5
67.05506	0.8
69.03423	1.0
69.07051	0.5
70.06585	1.1
70.77558	0.4
70.77914	0.9
71.04980	0.8
72.08134	1.6
76.52885	0.3
77.03934	0.3
79.05494	3.2
81.07040	1.9
82.07381	0.5
83.04973	0.8
84.04498	29.0
84.07692	0.3
84.08148	1.4
85.02938	0.4
86.09692	0.7
88.03884	0.3
89.03896	0.4
91.05478	1.2
93.07028	1.3
95.04954	1.1
95.08607	1.3
97.06534	0.6
98.98457	56.9
99.08122	0.4
101.55605	0.3
102.05538	0.7
103.05449	1.7
105.07020	100.0
106.07373	0.7
107.04956	0.5
107.08589	0.8
109.06525	0.4
109.10130	0.6
110.03534	0.7
111.03827	0.4
115.05469	0.4
116.99522	1.9
117.03391	0.8
119.04911	0.3
119.08585	0.6
120.08102	3.3
120.08887	0.5
121.06482	1.1
121.10094	0.4
122.09656	31.6
123.08081	0.5
125.05912	0.3
128.04608	0.3
129.10204	0.6
130.04984	3.8
131.08545	1.0
133.10112	0.4
134.99744	0.3
135.03014	0.3
135.08052	0.9
136.05104	0.3
136.06172	6.4
136.07367	0.5
136.07579	0.5
137.05951	0.5
140.01044	0.9
145.02792	1.1
145.06503	0.4
145.10118	1.0
146.09593	0.6
147.04358	0.3
147.08046	0.4
147.11626	0.4
149.05997	0.7
149.09616	0.5
152.05655	8.4
153.04044	2.2
153.06139	5.7
154.02461	0.3
154.04449	0.5
163.07521	0.4
174.99236	1.7
177.05418	1.5
187.14813	0.5
191.06914	0.4
191.14330	0.5
205.13361	5.1
206.08086	0.5
215.14412	0.3
233.15134	0.7
234.11232	23.4
234.13309	1.0
235.11465	0.6
251.09077	1.4
251.13800	10.0
251.16479	1.3
251.19951	0.5
252.12498	0.3
252.14519	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	249.221
Annotation	Heptadecatrienal
Peak:m/z	Relative Intensity
53.03716	1.2
53.03939	17.6
55.01865	6.5
55.05505	28.6
57.03414	3.2
57.06837	1.0
57.07072	8.4
59.04979	2.8
59.10198	1.1
65.03924	1.6
67.05494	47.8
68.46646	1.0
69.03414	2.9
69.06679	1.9
69.07058	39.0
70.04539	5.7
71.04974	1.7
71.08614	2.9
79.05483	25.4
81.03407	69.5
81.07047	47.0
81.07535	2.3
83.04967	16.6
83.08604	8.2
85.06559	1.3
85.10164	4.5
87.92184	1.2
91.05460	12.1
93.06501	1.5
93.07037	20.0
95.04955	37.7
95.08597	20.1
97.06494	4.3
97.10166	10.1
97.78136	1.0
98.20927	2.7
99.08069	1.9
105.07024	14.4
107.08570	13.4
107.60332	1.1
109.06491	10.6
109.10154	13.8
113.09612	1.7
119.08560	9.3
121.10122	8.9
123.08040	4.9
123.11707	7.3
131.08484	1.2
133.10107	13.5
135.11673	4.7
137.09596	1.8
137.13229	2.5
145.10022	1.4
147.11699	6.1
149.13228	2.4
151.11156	40.2
153.12740	2.6
154.60599	1.1
161.13260	5.5
163.14821	2.2
165.12770	12.3
165.14133	1.7
175.14781	2.5
177.16350	2.3
179.14264	6.4
191.17979	3.1
193.12241	3.0
193.15860	1.2
221.11646	1.1
231.13680	1.3
231.21065	7.9
249.18320	3.8
249.22112	100.0
250.22447	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	250.0934
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04404	0.2
52.83459	0.2
56.96545	0.2
57.03425	0.5
67.01865	1.4
70.06586	1.0
70.55921	0.9
72.08129	0.3
84.04509	0.2
84.08133	0.7
86.08476	0.2
86.09695	0.5
91.05467	0.3
93.07034	0.2
94.04047	0.4
97.02883	1.0
98.98454	19.5
100.93554	0.2
116.99497	0.7
119.03546	0.6
120.08063	0.2
129.10243	0.3
131.95451	0.2
136.06169	100.0
137.04565	0.6
137.06512	0.7
147.04390	0.3
171.09962	0.2
174.99246	0.5
178.07092	0.3
194.22667	0.3
204.06540	0.3
208.01816	0.4
226.02859	0.6
250.09308	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	250.1284
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40734	0.4
53.03943	0.5
55.01853	0.7
55.05476	0.5
56.05036	0.4
57.03441	0.9
57.98470	0.4
59.27965	0.4
61.02918	0.6
68.32274	0.4
69.03415	3.5
70.06583	5.0
70.32539	1.3
70.32944	0.6
72.08149	0.6
72.93783	0.5
73.02905	0.8
76.97307	0.5
81.03410	0.8
81.07048	0.7
84.08129	1.1
85.02896	20.5
87.04471	0.5
88.07618	100.0
89.07964	0.7
91.05521	0.5
97.02892	3.6
98.98454	43.3
99.04470	0.7
107.08652	0.5
109.02874	1.6
110.07196	0.5
116.99493	1.6
127.03893	2.6
129.10196	0.7
136.06146	5.2
145.04958	1.6
148.08192	0.4
174.99188	1.4
177.05539	0.5
206.11720	0.9
250.09250	1.5
250.21819	0.4
265.29974	0.6
273.83981	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	250.1436
Annotation	Peyophorine
Peak:m/z	Relative Intensity
53.03926	1.6
55.01870	6.4
55.05498	1.3
56.58060	0.5
56.96550	0.9
57.03413	0.7
65.03932	0.8
67.05511	3.6
68.05019	2.6
69.03413	0.7
69.07055	1.3
69.89119	3.8
70.02937	0.8
70.06217	0.5
70.06589	7.1
71.04981	3.2
72.08132	0.7
79.05486	17.6
80.05812	0.7
81.03410	1.4
81.07050	47.3
82.06544	0.8
82.07415	0.7
84.08118	1.2
84.73494	0.5
91.05472	2.9
92.04967	1.6
93.07041	4.1
94.06548	2.3
95.04961	1.7
95.08585	1.9
96.04446	0.6
96.08127	3.4
97.02901	0.6
97.06477	0.5
98.98460	37.5
100.07587	0.5
104.05010	0.7
105.07013	1.1
106.06533	1.6
107.04932	1.5
107.08580	2.0
108.08091	1.1
109.06515	23.9
109.10100	1.2
112.07594	1.5
114.05544	3.2
114.09105	0.6
116.99485	1.2
117.07045	1.0
118.06520	1.0
119.08581	1.5
120.08094	2.8
122.06023	14.8
122.09641	0.7
124.07585	1.4
133.08902	0.7
133.10013	0.5
134.09650	3.0
135.08034	1.5
136.07582	1.5
137.09584	0.8
140.01039	0.7
140.07059	49.8
140.61014	0.5
141.07283	0.7
142.08633	4.4
148.07542	1.7
148.11180	1.6
153.04221	1.3
154.08557	0.9
162.09097	0.9
164.06979	2.9
166.08833	0.5
168.06557	38.5
174.99222	1.3
176.10648	0.8
176.14262	1.1
180.06546	4.3
180.10165	3.3
186.12802	0.9
204.13800	9.7
204.17461	0.7
222.14894	2.9
232.13365	0.7
232.16951	3.1
250.14371	100.0
250.17947	4.1
251.14809	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1847
Annotation	Hexadeca-4,7,10,13-tetraenoic acid
Peak:m/z	Relative Intensity
53.03937	5.5
55.01844	3.1
55.05509	22.6
57.03420	1.5
57.07053	3.7
59.04984	1.5
65.03911	2.3
67.05499	31.9
69.03384	1.6
69.07059	21.4
70.05461	1.1
71.04971	4.5
71.08615	1.3
71.72759	1.6
72.08157	1.1
73.06516	2.0
77.03916	0.9
79.05486	84.0
81.03399	1.7
81.07047	44.1
83.04947	4.4
83.08611	11.3
85.06509	4.5
91.05472	41.3
93.07034	100.0
94.07353	1.3
95.04952	11.0
95.08593	28.2
97.06477	3.8
97.10131	2.2
99.04429	1.4
99.08029	1.2
101.05988	1.9
105.04477	1.6
105.06358	1.9
105.07018	32.2
107.04907	2.1
107.08583	47.2
109.06465	4.0
109.10152	14.7
111.08042	2.3
113.05902	1.5
117.06998	6.1
119.08566	24.6
119.43177	0.9
121.06480	2.7
121.10132	48.6
123.08067	4.8
123.11681	2.1
125.09566	1.6
128.06209	2.0
129.06999	6.1
131.08537	7.6
133.06448	1.2
133.09210	1.7
133.10127	25.0
135.08012	3.5
135.11678	37.7
137.09558	2.0
139.07428	1.1
139.11066	1.0
143.08536	5.8
145.10138	7.7
147.07959	2.8
147.11664	27.5
149.09555	3.9
149.13239	8.4
151.11134	2.3
157.10094	6.5
159.11653	2.8
161.09621	6.3
161.13185	3.8
163.11055	2.0
167.10599	2.3
171.11708	7.2
175.11119	4.3
175.14725	1.1
179.10600	2.4
180.84445	1.2
181.12053	1.7
185.13177	2.6
187.14713	2.9
189.12660	3.4
189.16393	9.9
189.54242	1.1
193.12164	4.2
203.07031	1.0
203.14288	5.1
203.17879	2.9
207.12024	1.0
207.13806	5.9
213.16362	8.1
222.18443	1.2
231.13675	2.1
231.17409	7.5
249.11157	1.5
249.14621	1.8
249.18410	62.1
249.22147	3.8
250.18753	1.1
269.23373	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.2211
Annotation	Heptadecatrienal
Peak:m/z	Relative Intensity
53.03939	2.9
55.01866	20.9
55.05507	32.2
55.30952	1.1
57.03415	3.3
57.07068	6.3
58.58943	1.1
65.03936	2.1
67.05502	55.0
69.03405	3.2
69.07064	19.4
69.76048	2.4
69.76447	7.9
71.05000	2.9
71.08626	6.1
79.05489	22.6
81.03382	1.4
81.07050	66.7
83.04974	15.6
83.08614	13.3
85.06531	3.1
85.10156	2.2
91.05470	17.1
93.07040	25.4
95.04950	8.4
95.08600	48.7
97.06519	14.2
97.10167	8.0
99.08097	6.2
102.87582	1.1
105.07006	13.6
107.08592	14.9
109.06503	8.3
109.10151	23.6
111.08066	17.1
111.11714	1.8
113.09634	2.4
117.07044	2.0
119.08580	15.9
121.10129	14.7
123.08065	4.6
123.11702	14.5
125.09567	2.2
127.11230	1.5
131.08522	2.1
133.10110	14.5
135.08044	1.2
135.11690	9.0
137.09587	4.9
137.13182	5.4
139.11172	3.1
147.11681	10.3
149.13258	8.2
151.11192	6.3
153.12706	8.5
159.11598	1.3
161.13237	9.1
163.14790	3.1
165.12746	8.3
165.16267	1.9
175.14827	5.9
177.16393	2.7
179.14316	4.9
189.16354	2.8
191.17944	2.4
193.08429	1.2
193.15848	2.6
203.17992	1.4
207.17490	1.4
231.13683	1.4
231.21062	16.1
249.22127	100.0
250.22606	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.0603
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19890	1.3
53.03948	10.3
55.01865	12.4
57.03439	12.9
59.04979	2.7
61.02913	8.0
67.05483	1.6
68.99767	7.2
69.03422	92.9
70.06582	1.3
71.01349	2.1
71.04987	13.1
71.54803	2.2
73.02910	12.1
75.69227	1.3
75.76617	1.2
76.62595	1.2
81.03411	48.9
83.01317	1.5
85.02896	100.0
87.00819	51.8
87.01366	2.0
87.04456	4.1
90.53637	1.3
91.05444	2.3
93.53948	1.4
97.02880	62.5
99.00791	1.2
99.04445	34.0
101.02374	2.8
103.96677	1.2
105.01849	24.1
107.08551	1.3
109.02865	33.1
115.03905	2.6
117.01855	2.3
127.03902	64.2
129.01787	3.8
145.04936	14.5
147.02736	1.4
154.28084	1.3
159.02885	10.0
163.07494	1.3
189.03830	1.8
203.07045	1.5
213.04004	2.2
231.04898	8.2
231.13747	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.0602
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37513	1.4
53.03944	11.4
55.01860	12.9
57.03428	16.6
61.02913	11.0
68.99773	6.5
69.03423	96.5
70.93847	3.2
70.94161	2.2
71.01327	3.0
71.04990	10.4
71.66291	1.6
73.02905	14.0
79.05478	1.9
81.02937	2.8
81.03407	52.4
83.01360	3.4
85.02896	100.0
87.00822	61.9
87.04447	2.3
89.34647	1.7
91.03945	3.5
97.02882	67.9
99.04439	36.3
101.02357	2.7
103.03928	2.2
105.01220	2.6
105.01859	29.2
105.06943	1.6
109.02871	34.4
109.10257	1.4
115.03930	3.4
117.01834	5.2
127.03904	62.7
129.01823	3.2
133.01109	1.5
145.04942	13.8
159.02846	15.2
191.87964	1.7
213.03969	2.4
231.04820	7.5
249.08916	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.0601
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00303	0.6
53.03939	4.0
55.01873	2.5
55.05511	0.5
55.26590	0.4
56.96545	0.5
57.03430	9.9
59.05005	0.5
61.02916	5.1
67.05499	0.8
68.99784	2.8
69.03422	100.0
69.45758	3.7
70.03745	0.4
70.06570	0.6
70.96564	0.6
71.01347	2.5
71.04985	7.0
73.02896	2.5
79.05477	0.6
80.32775	0.4
81.03408	27.6
83.01333	4.3
85.02896	98.3
86.03210	0.6
87.00819	28.0
87.04462	2.5
91.02095	0.4
91.04910	1.0
91.05470	11.9
95.04974	0.5
97.02882	61.3
98.03232	0.6
98.21414	0.7
99.04445	22.6
101.02378	2.7
103.05427	1.2
105.01854	10.5
105.02516	0.9
105.07044	1.1
109.02152	0.9
109.02866	12.9
110.07122	0.5
111.00816	2.1
115.03918	2.2
115.05413	0.5
117.06998	1.5
118.06528	1.9
119.07236	0.5
119.08523	1.2
127.03899	81.5
128.04253	0.9
129.01823	0.9
129.07043	0.4
131.04904	0.7
133.10097	0.5
136.07567	2.2
141.05858	0.4
143.08653	0.5
145.04945	19.0
147.11743	0.5
161.09616	0.5
161.47006	0.5
162.03690	0.5
171.02841	1.2
176.13435	0.5
183.03133	0.5
203.14223	0.5
204.06512	2.2
213.03888	0.9
217.04860	0.9
231.04996	5.1
231.13663	0.9
233.36464	0.5
249.14763	0.8
249.18495	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.0602
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30824	1.8
53.03942	10.2
55.01868	14.3
57.03433	13.8
61.02909	9.0
63.54963	1.6
67.33703	1.4
68.99775	7.0
69.03424	77.9
69.97892	5.4
69.98308	3.1
71.04985	10.2
73.02903	16.8
81.03409	51.0
83.01323	2.1
83.69795	1.4
85.02898	100.0
87.00819	54.9
87.04478	3.9
91.03950	2.2
97.02882	58.1
98.20815	2.9
99.04439	33.5
105.01852	23.0
105.61180	1.5
109.02864	31.9
115.03952	2.7
117.01826	3.5
117.73293	1.3
122.71942	1.5
122.74458	1.6
127.03899	57.7
129.01849	4.3
145.04961	13.8
147.11682	1.8
150.31587	1.3
158.99080	1.6
159.02890	14.7
171.02812	1.6
213.03931	3.5
217.40977	1.4
231.04962	3.7
241.48581	1.6
249.08881	3.4
249.11400	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.0369
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96574	12.6
70.06577	58.6
70.15641	36.8
70.16064	18.9
85.02882	18.0
85.49836	11.5
94.92999	12.5
98.97607	17.8
116.07067	50.4
130.41183	11.8
152.28239	10.9
167.54396	11.2
176.54987	13.3
184.57573	12.1
190.03804	14.0
232.04941	24.3
249.03673	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.0602
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	7.9
55.01868	13.3
55.05486	1.6
57.03434	13.1
59.04995	1.0
61.02910	6.1
61.56474	0.9
67.05487	1.7
67.95033	1.0
68.99781	3.1
69.03422	74.5
70.06567	2.5
70.85345	2.0
70.85733	1.9
71.01343	2.0
71.04980	10.8
73.02905	9.0
79.05453	1.8
81.03409	43.4
81.07056	2.0
82.03745	1.1
83.01313	1.7
85.02897	100.0
87.00817	39.8
87.01363	1.7
87.04453	1.7
88.03974	3.3
91.05470	6.8
91.48374	0.9
92.82224	1.1
93.07011	1.2
94.69148	0.9
95.08605	1.5
97.02884	46.2
99.04443	27.7
99.06350	1.3
101.02365	3.5
103.03918	1.4
105.01854	19.1
105.07032	1.6
108.04440	2.2
109.02161	2.1
109.02872	31.8
109.03615	1.7
109.04810	3.5
110.03212	1.0
110.07157	1.0
115.03949	1.8
117.01800	1.0
117.07005	1.6
118.06556	1.1
120.08131	1.2
121.10149	1.3
126.05515	1.3
127.03903	55.0
129.01837	1.9
145.04942	8.4
145.07562	1.3
147.02896	0.9
147.08072	1.1
159.02859	5.7
162.03716	8.9
189.03946	1.8
203.06549	1.1
213.04048	1.5
231.04869	4.7
231.13771	1.4
238.97238	1.1
249.06711	1.3
256.84320	1.1
261.20377	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	248.1643
Annotation	Ketobemidone
Peak:m/z	Relative Intensity
52.99043	0.2
53.16690	0.2
71.74834	0.2
79.05460	0.2
79.55971	0.2
91.05452	0.4
105.07024	0.5
107.08587	0.3
117.05734	0.3
117.07004	0.2
118.06528	6.2
119.07301	0.3
119.08524	0.4
124.16122	0.2
130.06560	0.3
131.07304	0.3
131.08496	0.3
132.08073	2.7
133.08833	0.7
134.09619	0.6
143.08551	0.2
144.08026	0.5
146.09625	2.9
160.11191	0.7
174.12747	1.1
176.14330	14.0
177.14680	0.4
190.08609	14.4
191.09319	0.2
202.13097	0.4
202.15875	2.5
203.16643	1.0
204.08215	0.3
204.10167	6.9
205.10962	1.6
206.11703	0.2
218.11746	6.2
230.12706	0.4
230.15143	0.3
232.13324	0.5
248.16428	100.0
249.16721	1.8
268.71091	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.0368
Annotation	Unknow
Peak:m/z	Relative Intensity
55.90548	12.5
62.32615	9.5
65.65472	11.5
69.03432	13.0
69.49515	25.8
69.49931	90.9
70.06586	70.3
84.58286	14.3
85.02916	20.4
93.03951	11.8
98.97583	28.4
104.52864	14.2
106.08753	12.8
116.07150	57.9
128.98602	13.6
141.20445	11.8
156.67883	13.1
167.54459	15.0
176.54936	30.9
229.33011	11.5
232.04892	26.1
249.03667	100.0
261.03088	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	247.2054
Annotation	(S)-Panaxjapyne A
Peak:m/z	Relative Intensity
53.03938	2.9
55.01867	1.5
55.05503	10.1
57.03423	3.1
57.07070	2.3
65.03917	1.6
65.51618	0.6
66.04675	0.7
67.05495	35.0
69.03431	1.1
69.07063	7.1
69.87124	5.1
71.04983	3.0
79.05483	33.2
81.03399	2.4
81.07045	100.0
83.04984	2.4
83.08607	2.8
85.06538	2.6
91.05468	9.9
93.07034	19.3
95.04962	5.7
95.08595	15.8
97.06535	2.2
97.10198	0.9
99.08080	2.8
105.07018	11.3
107.04968	1.5
107.08577	14.8
109.06505	33.4
109.10137	5.1
111.08079	1.3
117.07038	4.5
119.08566	9.7
121.06488	3.0
121.10126	13.4
123.08031	4.1
123.11686	8.0
125.09612	0.9
128.06190	1.1
129.06964	1.5
131.08551	8.4
133.10100	7.5
135.08034	3.6
135.11656	5.2
137.09618	3.6
143.08572	2.1
145.10114	7.0
147.11664	5.3
149.09607	1.3
149.13225	7.7
151.11159	1.5
151.14703	0.8
159.11682	6.3
161.13231	4.4
163.11221	2.0
163.14789	3.6
165.12766	1.7
173.13228	5.8
174.08315	0.7
175.03917	2.0
175.14842	1.6
177.12691	1.9
179.14259	1.2
183.11641	1.7
187.07628	1.1
187.11179	2.8
187.14822	3.1
189.08986	1.7
189.16322	1.5
191.14320	1.4
201.12761	2.5
201.16289	1.2
203.17958	0.9
205.15933	1.1
219.20993	1.0
229.12300	3.7
229.19519	9.2
247.13249	2.6
247.20549	36.4
248.20874	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.2054
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	2.5
55.01852	2.1
55.05271	1.1
55.05504	12.4
57.03419	3.4
57.07051	3.0
65.03934	1.3
67.05495	38.9
69.07057	9.7
69.98721	5.7
71.04971	3.9
72.08132	1.1
79.05482	36.4
81.03399	3.5
81.07046	100.0
83.04945	3.4
83.08606	3.1
85.06513	2.5
91.05469	14.7
93.07028	26.2
95.04951	6.7
95.08591	22.6
97.06519	3.3
99.08073	2.7
105.07021	14.1
107.04922	3.2
107.08576	18.4
109.06507	35.3
109.10124	7.5
111.08047	1.6
117.07013	6.1
119.08558	11.3
121.06500	2.3
121.10143	17.1
123.08048	4.8
123.11665	8.5
128.06177	2.0
129.06982	1.9
131.08549	9.4
133.10112	7.0
135.08060	4.6
135.11697	6.8
137.09639	5.3
137.13322	1.3
143.08557	3.5
145.10097	9.2
147.11649	7.3
149.09601	4.1
149.13251	7.6
151.11133	1.8
157.10080	1.1
159.08008	1.5
159.11679	7.4
161.13242	3.0
163.11150	3.3
163.14836	3.2
165.12622	1.5
169.10129	1.0
173.13252	6.1
175.03908	3.1
175.14806	2.7
177.12746	1.9
183.11649	2.5
187.11182	3.4
187.14798	3.5
189.09122	1.3
191.14226	1.9
201.12727	3.5
201.16235	1.5
203.18044	1.4
205.19490	1.0
229.12201	6.2
229.19481	9.7
229.58693	1.1
247.13283	2.7
247.20540	47.1
248.20782	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.2054
Annotation	(S)-Panaxjapyne A
Peak:m/z	Relative Intensity
53.03939	2.7
55.01869	2.4
55.05502	11.9
57.03436	2.7
57.07072	2.4
65.03951	1.6
67.05499	37.3
69.03403	0.9
69.07063	7.9
70.10038	3.8
71.04993	2.7
72.08132	1.0
79.05486	32.9
81.03413	2.4
81.07050	100.0
83.04991	3.2
83.08616	3.1
85.06538	2.1
91.05470	11.2
93.07034	21.8
95.04967	5.7
95.08598	18.4
97.06524	2.3
97.10169	1.0
98.98447	0.6
99.08092	1.8
102.97359	0.6
105.04584	0.9
105.07018	10.6
107.04929	2.0
107.08583	15.1
109.06510	28.6
109.10135	6.3
111.08079	1.4
117.06985	5.5
119.08560	8.5
121.06496	2.1
121.10137	14.0
123.08047	5.0
123.11687	7.5
125.09652	1.1
131.08563	9.6
133.06447	0.8
133.10123	8.2
133.26244	0.7
135.08069	4.2
135.11696	4.9
137.09587	3.9
137.13228	1.8
143.08588	1.1
145.10127	7.9
147.11650	5.6
149.09615	2.7
149.13257	7.6
151.11179	1.8
156.86070	0.7
159.11687	5.6
161.13223	4.1
163.11137	2.7
163.14789	3.5
165.12733	1.4
168.09328	0.9
173.13257	6.4
175.03766	0.8
175.14758	1.9
177.12737	2.1
177.16365	1.3
179.14093	0.8
187.11130	1.1
187.14813	4.6
189.16382	1.0
191.14291	2.0
201.16354	0.8
203.17961	0.9
205.15776	0.8
229.12228	1.8
229.19472	8.6
232.32376	0.7
232.76677	0.8
247.13420	1.1
247.20544	40.7
248.21034	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.2055
Annotation	(S)-Panaxjapyne A
Peak:m/z	Relative Intensity
50.69333	0.8
53.03931	2.9
53.05627	0.9
55.01880	4.2
55.05508	19.6
57.03421	2.2
57.07071	4.2
65.03934	1.4
67.05502	31.9
69.03412	3.3
69.06692	1.0
69.07064	16.6
70.28288	3.4
71.04988	4.3
71.08614	1.4
72.08150	6.3
79.05025	1.4
79.05491	32.5
81.03397	2.1
81.07054	41.8
83.04975	5.0
83.08616	7.2
85.06533	1.7
91.05476	27.5
92.05736	0.8
93.07041	43.2
95.04964	12.5
95.08604	22.4
97.06525	4.9
97.10167	3.5
98.98460	1.7
99.08073	0.8
103.05446	1.7
105.07024	24.4
107.04947	9.4
107.08588	25.6
109.06519	12.6
109.10159	11.1
111.08073	2.1
115.05434	2.3
116.56442	0.7
116.97988	0.7
117.07029	11.7
117.66476	0.9
119.04893	0.9
119.08585	15.5
121.06502	8.5
121.10140	22.5
123.08071	6.3
123.11697	6.3
124.25636	0.7
128.06190	4.2
129.07019	3.7
130.07729	0.8
130.22508	0.8
131.08554	18.0
133.06465	2.0
133.10114	12.3
135.08063	7.4
135.11694	14.1
137.09621	4.8
137.13210	1.7
139.11212	1.8
141.07010	2.2
142.07744	1.6
143.08556	10.8
144.09322	1.4
145.06467	2.5
145.10100	15.4
147.04387	1.3
147.08043	1.0
147.11694	7.8
149.09637	7.6
149.13252	9.7
151.11166	5.9
153.06967	1.0
154.07762	1.1
155.08516	1.9
157.10143	4.0
159.08089	4.4
159.11681	12.4
161.05933	0.9
161.09599	1.9
161.13216	3.1
163.11174	7.8
163.14772	1.7
165.12720	2.6
168.09341	2.6
169.10146	1.0
171.08044	2.3
172.08759	1.2
173.05841	1.6
173.09631	1.0
173.13255	9.4
175.03925	7.8
175.14751	2.6
176.14333	6.3
177.12741	4.7
179.14282	1.1
183.11665	6.3
185.09586	1.1
185.13268	1.8
187.07501	2.8
187.11171	13.4
187.14777	4.1
188.11411	1.0
189.09106	7.6
189.16377	1.6
190.09491	0.8
191.14362	4.6
201.12743	10.3
201.16455	1.0
205.15828	1.2
211.11285	1.3
219.13773	0.8
219.17311	0.9
219.20944	1.2
229.08704	1.5
229.12247	15.4
229.19493	11.5
247.02428	1.5
247.05904	1.4
247.09703	2.0
247.13316	9.3
247.20567	100.0
248.07053	1.5
248.20863	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	247.133
Annotation	Xanthatin
Peak:m/z	Relative Intensity
53.03934	5.2
55.01850	3.2
55.05499	10.6
56.05025	9.4
56.96560	99.1
57.03426	7.9
57.82422	2.3
58.06585	5.5
59.06932	2.9
60.04519	3.0
61.02919	6.1
62.72417	2.3
63.21044	2.2
67.05501	13.0
69.03425	14.3
69.07050	9.5
70.03413	4.7
70.03804	6.5
70.06217	3.8
70.06586	61.2
70.98106	8.9
71.04976	5.3
71.06898	2.9
72.07769	3.4
72.08149	43.5
72.93774	4.9
73.01114	2.8
73.02909	5.5
73.08453	3.4
74.06084	2.7
74.97596	4.9
79.05490	13.1
80.04984	4.0
81.03405	9.3
81.07040	28.1
82.06581	2.8
83.04974	4.9
84.04496	49.0
84.08140	32.3
84.96020	5.8
85.02892	16.1
85.06542	4.0
85.08469	5.9
86.09699	46.6
87.10011	3.0
88.03984	6.0
88.29903	2.6
88.99138	8.6
90.03768	24.2
91.05470	31.1
93.07036	16.0
94.06525	5.5
95.04943	7.6
95.08575	5.4
97.02877	11.1
97.06503	4.4
98.97572	21.4
99.04449	5.0
100.07600	12.6
100.99136	2.5
101.00887	3.9
101.07914	7.2
102.05523	3.8
103.05463	6.5
104.51801	2.2
105.07024	33.7
107.00132	3.3
107.04913	5.3
107.08596	9.8
109.02850	4.7
109.06532	14.3
109.10120	3.4
110.06049	3.6
110.07157	8.4
111.04435	4.2
112.99148	2.6
114.05521	2.6
115.05440	8.6
116.06216	3.0
116.07031	4.2
116.98582	12.5
117.07014	17.1
117.10220	3.9
118.03232	18.3
118.08645	2.8
118.10613	5.1
119.00195	5.9
119.01882	25.1
119.04900	7.5
119.08544	15.8
120.08079	5.3
121.01643	14.9
121.06467	6.4
121.10155	3.8
122.06037	4.3
123.08060	4.2
126.05495	2.8
127.03875	5.0
128.06213	25.3
128.07076	4.0
128.98604	10.0
129.02206	2.6
129.05455	2.6
129.06969	16.0
129.10231	5.7
130.04984	26.0
130.07773	4.7
131.01897	4.5
131.04922	3.4
131.08543	36.6
132.10219	3.4
133.01686	3.4
133.03462	10.0
133.06441	3.3
133.10127	7.9
134.99651	17.8
135.08057	2.5
135.11681	4.5
136.07556	3.9
137.02992	4.8
137.09683	3.1
138.01138	2.3
139.02715	4.4
139.03821	3.0
141.06995	7.3
142.07759	12.7
143.00130	3.7
143.01906	3.4
143.08553	49.2
144.09286	7.2
144.98074	11.3
145.01662	5.8
145.03419	2.7
145.06488	11.7
145.10156	15.3
146.99686	16.9
147.03224	4.2
147.04318	19.8
147.08043	5.3
147.11679	3.9
149.01183	3.4
149.09557	3.1
150.05489	14.3
150.96863	3.7
153.00655	3.6
153.06952	5.6
154.07729	3.2
155.08534	13.7
156.04770	4.3
157.03468	2.9
157.10080	14.2
159.03247	5.0
159.08057	20.5
159.11665	20.7
161.01190	4.4
161.02986	11.4
161.04686	2.4
161.05956	5.3
161.09641	7.3
162.99152	14.0
163.02672	7.9
165.00681	10.6
166.08617	3.5
168.09326	15.2
169.10048	3.1
171.08037	8.6
171.12061	2.4
173.02893	3.8
173.05992	7.8
173.09598	6.5
173.13165	11.5
174.09062	3.4
174.99132	14.2
175.02591	4.1
175.03886	28.4
175.11209	8.6
176.12123	3.0
177.00682	5.3
177.04222	5.5
181.00183	8.6
183.01694	2.9
183.11684	38.4
184.04297	4.0
185.13202	3.0
187.01117	2.7
187.02745	8.6
187.07527	12.1
187.11150	49.4
189.09105	35.9
193.00188	14.2
193.10124	3.2
201.00621	3.7
201.12738	54.3
205.00186	19.5
205.01924	3.4
205.03671	14.3
205.12195	3.3
211.04536	3.4
211.11189	10.6
218.12137	3.6
219.13802	5.5
223.01248	37.4
223.04822	7.5
228.05318	3.6
229.03270	4.5
229.08664	6.0
229.12213	100.0
230.04767	4.6
230.10271	4.3
239.06148	3.0
241.02261	3.4
247.02328	4.1
247.04338	17.0
247.07118	8.1
247.11018	4.9
247.13272	59.2
247.18678	16.3
247.21024	4.4
248.03230	3.4
265.05963	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	247.1327
Annotation	3-Oxo-4,11(13)-ivaxallaradien-12-oic acid
Peak:m/z	Relative Intensity
53.03933	1.8
55.01850	1.4
55.05495	3.3
65.03918	5.8
67.05486	5.0
69.03413	16.1
69.07043	2.9
70.06569	2.6
71.00241	4.6
79.05478	10.2
81.07049	14.3
83.04967	21.3
84.08170	2.1
91.05460	18.0
93.03379	5.1
93.07024	14.5
95.04971	8.7
95.08590	3.1
97.02876	6.0
104.74966	1.8
105.07017	18.6
107.04865	3.2
107.08569	17.6
107.46014	1.6
109.02885	10.1
109.06510	12.1
109.10153	3.7
111.04440	4.6
115.05465	5.1
117.07019	13.4
119.04849	2.0
119.08576	18.3
121.02858	4.2
121.06496	13.9
121.10106	6.6
123.04427	1.9
123.08065	2.4
128.05357	2.4
128.06137	8.4
129.06987	10.5
130.07791	1.8
131.08551	22.0
132.05664	2.0
133.06456	2.7
133.10081	9.2
135.08031	24.9
135.11650	1.8
137.05939	3.7
137.09605	3.9
139.03854	2.0
141.07016	3.1
142.07745	5.4
143.08543	24.9
144.09283	10.0
145.06480	16.3
145.10100	16.6
147.04388	2.0
147.08034	4.7
149.09612	19.0
150.10385	2.9
151.11166	3.3
151.51151	1.5
153.06990	3.7
155.08530	8.6
157.06458	2.9
157.10136	6.9
158.07262	1.8
158.10887	10.3
159.08055	19.6
159.11674	29.5
160.08766	3.8
161.05965	1.9
161.09589	6.6
163.07521	16.9
168.09343	10.9
169.10110	3.5
170.10889	5.1
171.08025	11.7
171.11699	1.9
172.08820	16.4
173.05936	4.8
173.09605	22.5
173.13217	31.9
175.03883	10.5
175.07516	3.2
175.11169	3.7
183.11671	17.4
183.27721	1.6
185.09610	3.9
186.10390	22.0
187.07625	7.3
187.11162	100.0
188.11504	2.3
189.09067	12.2
191.06993	33.8
193.10143	2.0
196.08801	4.7
199.07666	2.0
200.41362	1.6
201.12727	65.1
202.13094	1.9
203.14323	2.5
205.12209	5.9
211.11186	14.6
219.08086	2.0
219.13841	6.7
229.08699	2.9
229.12221	76.9
247.07513	4.6
247.09673	9.8
247.13280	75.4
248.13672	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	247.1326
Annotation	3-Oxo-4,11(13)-ivaxallaradien-12-oic acid
Peak:m/z	Relative Intensity
53.03936	3.8
53.27265	1.8
55.05490	5.6
59.13813	1.9
59.79763	1.7
65.03925	3.2
67.05486	6.6
69.03420	25.7
69.07049	3.1
69.53046	17.0
70.06582	4.6
71.04985	2.0
71.27544	1.6
72.08160	2.5
79.05477	12.4
80.50662	1.9
81.03410	1.7
81.07043	18.1
83.04979	15.6
84.08126	4.0
85.02895	3.1
85.06551	2.2
86.09695	2.4
91.05465	23.3
93.03392	4.4
93.07027	11.7
95.04966	8.6
95.08592	5.6
97.02875	8.2
97.06515	2.9
103.05473	3.6
105.07019	26.7
107.04967	9.6
107.08595	18.8
107.61675	1.6
109.02878	9.7
109.06506	12.9
109.07628	3.1
109.10167	3.8
110.07192	2.6
111.04413	5.8
111.08060	2.0
115.05443	5.5
117.07000	17.1
119.08584	16.6
120.08142	2.8
121.02833	2.3
121.06476	15.1
121.10130	5.8
123.08075	4.0
123.67019	1.8
128.06206	14.1
129.07007	10.6
130.07712	2.6
131.04935	3.4
131.05945	2.0
131.08560	28.2
132.05666	3.3
133.06541	1.7
133.10124	13.1
133.90147	2.0
135.08051	22.3
135.11691	2.9
136.08760	2.3
137.05972	4.4
137.09586	2.6
141.06993	5.3
142.07779	5.4
143.08548	23.1
144.09373	9.4
145.06464	16.7
145.10121	21.2
146.07202	1.7
147.04399	2.8
147.08037	5.6
149.05974	3.1
149.09602	19.6
150.10272	2.3
151.07547	3.3
151.11157	4.8
151.13129	2.3
153.06967	3.0
154.07770	3.6
155.08516	8.9
156.09291	1.9
157.10146	9.7
158.07269	1.9
158.10884	9.8
159.08041	21.4
159.11671	29.8
160.08833	4.6
161.09584	6.0
163.07507	15.5
163.11191	2.9
165.09128	2.6
168.09352	10.9
169.10097	3.6
170.10904	3.2
171.08073	13.1
172.08798	14.1
173.05980	4.1
173.09610	28.0
173.13235	31.7
175.03905	14.0
175.11189	5.4
183.11671	19.7
185.09624	3.4
185.13239	2.7
186.10388	23.6
187.07579	6.3
187.11163	100.0
188.11559	2.2
189.09100	17.9
191.07008	33.6
196.08777	4.4
199.07654	2.3
201.08888	2.4
201.12724	68.4
203.14307	2.5
205.12202	7.9
211.11153	15.5
214.09895	3.2
219.08028	2.5
219.13698	8.4
220.18941	2.2
229.08644	4.1
229.12225	84.5
230.12471	2.9
238.23550	2.0
247.05687	2.2
247.09683	3.2
247.13298	83.0
247.17038	4.1
248.13646	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	247.1329
Annotation	Xanthatin
Peak:m/z	Relative Intensity
54.98301	5.0
55.05481	6.4
56.05018	14.8
62.04900	4.9
62.92440	5.2
67.05489	7.8
67.67105	5.6
68.05029	11.4
69.04534	7.0
70.06581	8.0
70.89050	16.4
76.36843	5.0
77.06664	5.3
79.05486	8.7
81.07053	20.2
82.06559	8.1
83.06103	8.9
91.05473	24.9
93.04465	5.9
93.07063	9.2
95.06078	14.4
97.07653	13.2
98.07178	8.4
104.10744	25.7
105.07040	29.5
107.08581	13.4
108.05621	6.3
109.06537	6.2
109.07630	23.4
110.07165	18.1
111.09201	6.7
112.08739	9.3
115.05444	7.7
117.07024	22.9
119.08594	9.6
121.06455	6.3
121.07634	12.7
121.10062	6.0
122.07152	13.2
124.08711	7.7
128.06230	19.7
129.06995	8.6
131.08556	43.1
133.10121	6.4
134.07129	6.3
136.08719	12.5
137.08255	9.6
138.10315	10.9
142.07759	6.1
143.08553	46.8
145.06479	12.3
145.10138	17.8
147.04367	9.1
147.06621	5.2
147.08005	7.5
149.08142	9.1
150.10217	8.5
151.09814	12.3
155.08519	15.1
157.10144	15.9
159.08066	26.5
159.11691	17.9
161.09572	6.4
163.09793	9.8
164.11798	10.6
166.45476	5.8
167.12939	6.1
168.09326	15.0
169.16753	5.5
173.13318	8.2
175.03889	38.7
176.99361	5.0
183.11649	35.7
187.07552	13.2
187.11165	57.4
188.09431	6.5
189.09073	50.1
201.12718	60.8
205.12144	10.9
211.11192	7.5
219.13835	5.9
220.15631	6.4
229.08714	14.9
229.12206	100.0
230.14015	11.9
247.09724	17.1
247.13235	63.9
247.16672	26.4
259.72177	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	247.1287
Annotation	alpha-Asp-Ile
Peak:m/z	Relative Intensity
50.53513	1.0
51.07269	1.1
55.05500	1.5
56.05020	2.6
61.01118	1.8
62.00272	1.1
67.05490	4.3
69.03389	1.2
69.07059	10.6
70.02945	10.8
70.06581	5.4
71.49712	1.6
72.08137	4.2
72.93761	3.7
73.02884	1.6
74.02427	8.2
79.05485	5.2
81.03413	1.7
81.07048	7.7
84.04462	1.2
84.08121	4.1
85.04000	2.9
86.09695	100.0
88.03979	53.0
91.05472	8.2
93.07014	4.9
95.04929	1.4
95.08572	3.5
96.08103	1.3
97.02936	1.3
98.02392	4.7
98.98464	1.5
99.00793	1.3
100.03934	1.5
103.05443	1.8
104.05326	2.4
105.07000	11.2
107.04964	1.6
107.08589	4.5
109.06489	3.5
109.10114	1.8
110.02385	11.6
110.07140	1.3
113.10753	10.2
115.05460	1.4
116.06246	1.1
116.07052	5.3
117.07031	5.8
119.04951	1.2
119.08549	3.2
120.08104	1.7
121.06492	1.8
121.10168	1.3
123.05538	1.8
123.08051	1.3
124.03938	1.9
126.12091	1.0
128.06201	7.5
129.06992	3.3
130.07782	2.0
131.08553	14.2
132.10190	50.3
133.10083	1.8
135.11708	1.5
138.09000	2.0
141.06960	2.3
141.10204	16.7
142.07686	1.6
143.08534	13.3
144.09315	2.2
145.06451	3.4
145.10117	4.9
147.04419	1.4
147.07997	2.6
151.07512	1.1
152.47095	1.0
155.08563	3.2
155.11743	2.9
156.10191	3.8
157.10115	4.8
159.04367	1.6
159.08057	6.9
159.11691	5.9
161.04620	1.5
161.09607	2.2
166.08662	14.8
168.09315	3.7
169.09927	3.5
171.08009	3.2
173.05861	2.4
173.13202	4.2
174.05484	1.7
175.03894	10.9
175.11201	2.4
177.09378	1.3
183.11533	12.6
184.09662	2.2
185.13231	1.7
187.07494	4.6
187.11043	23.9
189.09055	11.5
196.00461	1.2
196.98857	1.4
201.06596	1.5
201.12396	53.9
211.11008	3.0
212.09149	16.7
229.08659	2.0
229.12181	29.1
247.02142	1.4
247.10632	1.5
247.13203	23.8
247.16690	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1288
Annotation	H-Val-Glu-OH
Peak:m/z	Relative Intensity
53.03944	0.8
54.16711	0.4
55.01861	0.7
55.05507	12.5
56.05027	0.8
56.96557	1.1
57.05799	0.9
65.03929	0.7
67.05492	1.7
69.03406	1.1
69.07066	1.4
69.47638	4.9
70.02962	0.5
70.06582	1.7
71.04964	0.6
72.04515	0.4
72.08147	100.0
72.27362	0.4
73.02916	0.8
73.08492	1.1
74.06072	0.6
79.05470	1.5
80.77174	0.5
81.03411	0.9
81.07053	3.7
84.04493	1.1
84.08140	1.8
85.02910	1.5
86.09705	2.7
88.03985	4.3
91.05466	4.0
93.07054	2.3
95.04976	1.0
95.06048	0.4
95.08602	1.0
96.03677	0.5
97.02889	0.8
98.97581	1.3
100.07619	0.6
102.05525	8.1
105.07018	4.8
107.04938	0.6
107.08581	2.3
109.02871	0.6
109.06507	2.3
109.10163	0.6
110.02431	0.6
115.05468	1.1
116.07107	0.5
116.98594	0.6
117.06966	2.2
119.01959	0.5
119.04897	0.6
119.08566	1.7
120.08043	0.9
121.06499	0.7
127.03922	0.6
128.06216	2.8
129.07001	1.5
130.05051	0.6
131.04965	0.6
131.08545	5.7
132.10175	0.6
133.04941	0.5
133.06482	0.9
133.10146	1.4
134.99634	0.7
135.11725	0.9
137.05983	0.6
141.06992	1.2
142.07811	0.8
143.08553	5.6
144.09392	0.6
145.06499	1.9
145.10092	3.6
147.04376	1.1
147.08049	1.2
147.11662	0.6
148.06030	14.5
153.07007	0.6
154.07745	0.6
155.08600	1.1
157.10110	2.3
158.10936	0.7
159.08020	3.5
159.11646	3.3
161.05952	0.7
161.09528	0.6
163.07585	0.6
166.08731	0.5
168.09433	1.5
169.09775	1.0
171.08084	1.8
173.06033	1.3
173.09602	0.8
173.13248	1.7
175.03906	3.4
175.11127	0.8
177.09151	0.6
183.11655	5.6
185.09825	0.5
185.13341	0.9
187.07558	2.2
187.11162	7.7
188.09108	0.6
189.09074	4.6
201.12711	9.5
205.12352	0.8
211.11220	1.9
213.09473	0.4
224.62068	0.5
229.08685	1.4
229.12189	14.8
237.02704	0.5
247.09846	1.1
247.13191	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	247.0424
Annotation	Unknow
Peak:m/z	Relative Intensity
63.33210	1.2
70.86316	1.6
70.86650	2.7
70.91458	1.3
72.08150	2.5
119.01876	1.5
143.08508	1.3
167.03123	2.0
187.11212	1.6
229.01112	2.4
229.03217	29.6
229.12328	1.7
247.04240	100.0
247.13191	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	247.0424
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	0.5
55.48293	0.5
56.96579	0.5
62.41729	0.6
68.37423	0.5
70.06583	0.6
71.04951	0.5
71.42579	1.0
72.08149	3.5
77.87543	0.6
83.32127	0.5
84.04471	0.8
86.09695	3.0
98.02107	0.5
112.72897	0.6
117.10206	0.6
119.01898	1.9
167.03159	1.5
187.02278	1.1
187.11191	1.2
189.08992	0.8
201.12721	1.3
229.03172	30.9
229.12199	1.9
230.10185	0.6
247.04240	100.0
247.07802	4.5
247.13290	1.6
247.18465	1.0
248.04356	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	246.181
Annotation	Valyllysine
Peak:m/z	Relative Intensity
50.26572	1.0
55.05503	6.7
56.05031	5.4
56.96560	32.8
57.03419	3.2
57.07057	1.2
57.12965	0.9
58.06593	25.5
59.07365	3.2
60.04514	1.9
60.05627	2.9
60.08163	4.6
61.02906	1.6
67.05492	2.6
69.03405	4.3
69.07045	3.2
69.51904	1.1
69.74403	0.9
70.06224	1.9
70.06586	28.7
70.98098	1.9
71.04976	2.2
71.06905	1.1
71.14811	2.0
71.15160	1.1
72.04507	1.1
72.08147	40.8
72.81903	1.0
72.93750	1.2
73.02874	3.0
74.02428	1.1
74.06059	4.2
74.97610	1.5
79.05470	1.8
81.03394	3.8
81.04530	2.6
81.07025	2.9
82.06571	4.7
83.04965	2.3
83.06095	1.2
84.04484	9.8
84.08135	62.5
84.96022	2.3
85.02903	7.0
85.04000	0.9
85.05254	3.9
85.06522	1.4
85.08460	3.3
86.06056	2.0
86.09701	36.3
87.03156	1.3
87.05585	1.6
87.09998	1.0
88.03967	2.1
88.99140	1.1
90.03765	1.3
91.05452	2.8
93.07056	1.3
93.66895	1.0
95.04967	1.7
96.04459	1.6
96.08074	1.2
97.01685	1.3
97.02885	4.6
97.06565	1.2
98.06017	1.6
98.09653	2.6
98.97572	7.7
99.04427	1.2
100.07608	90.9
101.00867	2.4
101.07114	3.5
101.07850	1.1
101.10770	1.3
103.00592	1.1
103.03917	1.0
105.07013	2.3
107.08570	1.3
108.04475	1.0
108.05645	0.8
109.02847	2.4
110.06024	1.6
110.07133	2.6
110.09729	1.2
112.08689	2.8
112.11195	2.6
114.05491	1.9
114.06614	1.6
114.09140	0.9
115.08714	1.5
116.07069	4.7
116.98586	6.4
117.10244	48.6
118.03239	1.5
118.08643	10.7
119.01906	11.8
119.04907	2.0
120.02019	6.2
120.08026	1.1
121.01665	5.2
121.16713	0.9
122.07124	4.4
123.05528	1.1
123.07897	3.8
124.07533	1.9
124.11183	1.1
127.03889	1.7
127.08656	2.3
128.06239	1.2
128.07074	3.0
128.98578	3.3
129.03996	0.9
129.06573	1.7
129.10228	20.2
129.13872	2.5
130.04979	2.4
130.06462	1.2
130.08656	13.6
131.00093	1.3
131.01805	2.3
131.08556	2.4
132.02068	1.0
133.01590	1.4
133.03430	2.4
134.99678	5.8
136.07553	1.2
137.02901	2.1
138.03017	2.7
139.02618	1.3
140.07053	1.1
141.10231	2.2
143.00122	1.2
143.01730	1.9
143.08508	4.1
143.11827	1.2
144.98080	1.8
145.03471	1.5
145.06317	1.6
146.99596	3.7
147.03223	2.1
147.04369	4.4
147.11275	15.5
150.96841	1.4
152.07108	1.4
155.00034	1.2
157.03426	1.6
157.09738	1.7
158.03607	2.1
158.09225	2.2
159.03151	2.2
159.08040	1.1
159.11632	2.1
161.01152	1.2
161.02916	4.4
162.03133	3.4
162.99109	3.2
163.02716	2.7
165.00627	2.5
166.08510	1.2
168.06557	1.6
169.09706	1.8
170.08015	1.6
170.11707	3.1
173.01436	1.1
173.02911	2.7
173.05919	1.6
174.99120	3.4
175.03955	3.0
175.11989	5.2
176.04665	1.8
177.00644	2.3
177.04237	1.5
180.04208	1.6
181.00154	1.7
183.11555	3.3
183.14896	1.6
184.09674	1.6
185.02956	1.4
186.02982	2.6
187.02658	2.3
187.10976	6.2
187.14388	1.7
189.09087	1.9
191.03795	1.2
193.00185	4.1
200.12759	1.8
201.12628	4.2
201.16028	1.3
202.06209	1.7
202.10721	1.3
204.02170	1.1
204.04028	5.5
205.00127	3.6
205.03706	3.7
212.09158	1.2
216.06471	1.2
218.04596	1.1
220.07310	1.7
222.05205	1.6
223.01321	6.8
223.04796	4.2
228.12267	3.0
228.17038	3.4
229.12329	6.7
229.15541	2.4
237.02795	2.2
241.00102	2.6
241.02350	4.4
241.05891	4.4
246.05112	5.9
246.13350	6.7
246.15619	11.0
246.18077	100.0
247.04272	4.4
247.13190	2.5
247.18478	1.4
259.03461	3.0
264.07135	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	245.1858
Annotation	Ile Ile
Peak:m/z	Relative Intensity
56.05027	0.3
56.96555	0.2
62.17250	0.2
63.08486	0.2
68.68498	0.2
69.03423	0.2
69.07047	0.4
69.84492	1.5
70.06581	0.9
79.05447	0.4
83.04987	0.3
84.04489	0.3
84.08134	1.2
86.09695	100.0
87.10022	0.7
91.05448	0.4
93.07062	0.2
95.08563	0.3
97.02868	0.3
105.06982	0.4
110.07170	0.2
129.06975	0.3
129.10251	0.4
132.10185	3.0
133.10199	0.3
156.09349	0.3
159.08096	0.3
164.06337	0.2
171.07965	0.3
171.11659	0.5
199.11125	1.1
199.18001	1.3
217.12318	0.3
227.10683	0.5
234.33580	0.2
245.08122	0.4
245.11594	1.2
245.18611	3.2
246.13518	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1859
Annotation	H-ILE-LEU-OH
Peak:m/z	Relative Intensity
53.03918	0.3
55.01861	0.5
55.05501	1.1
56.05028	1.2
56.96547	1.2
57.05793	0.3
57.06791	0.6
57.07067	10.5
58.93870	0.3
60.04512	0.8
67.05495	0.6
69.03419	0.7
69.07060	11.6
70.06584	5.1
71.74923	0.5
72.08144	1.5
73.11449	0.3
79.05486	0.3
80.41373	0.3
81.03435	0.4
81.07047	0.6
83.01331	1.0
83.04952	0.4
84.04486	1.2
84.08137	5.5
85.02910	0.7
85.06539	2.6
86.06046	0.4
86.09696	100.0
87.04449	0.4
87.05569	0.3
87.10014	0.8
87.56462	0.3
88.03973	0.6
91.05463	0.6
93.07056	0.4
95.04910	0.3
98.97569	0.9
102.05528	0.5
105.06991	0.7
107.08588	0.6
110.07143	0.8
111.00799	0.5
112.08718	0.4
115.03922	0.6
116.98615	0.8
119.08604	0.4
120.08102	0.7
121.10121	0.3
127.03918	0.5
129.07014	0.7
129.10233	1.6
130.08618	0.7
131.08580	0.5
132.10194	2.8
134.99699	0.5
136.07637	0.4
142.03223	0.7
143.08694	0.4
144.08072	0.5
145.10175	0.5
159.07990	0.3
171.08037	0.4
174.78871	0.3
182.06389	1.0
185.06038	0.5
199.07426	0.4
199.11235	1.2
199.18047	1.4
201.09114	0.5
210.05791	0.6
217.08583	0.6
217.12177	0.4
227.10724	0.5
228.06898	0.9
228.12428	0.4
245.04892	0.5
245.07973	0.6
245.11717	1.7
245.18623	3.7
246.13449	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.2262
Annotation	Unknow
Peak:m/z	Relative Intensity
54.41207	3.7
55.05511	6.0
56.46194	4.0
57.07071	5.5
64.23835	4.1
67.05489	12.7
69.07053	18.9
69.59748	30.2
73.71398	3.7
79.05466	11.8
81.07054	28.6
83.08609	6.4
84.04488	9.5
85.87817	4.2
91.05446	12.8
93.07022	17.1
95.08596	29.7
105.07005	23.3
107.08584	30.1
109.10149	21.8
110.06010	4.7
112.33450	3.4
119.08578	22.4
121.10156	20.4
123.11719	11.2
133.10110	23.3
135.11679	14.8
137.13231	6.0
139.04082	3.9
142.03230	7.2
147.11676	13.2
148.74179	3.9
149.13251	16.6
158.93542	5.4
161.13240	19.2
163.14803	18.3
175.14778	21.2
189.16397	23.2
203.17941	11.2
216.02342	3.9
245.22650	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1858
Annotation	H-ILE-LEU-OH
Peak:m/z	Relative Intensity
51.64167	0.2
53.74581	0.2
55.01866	0.4
55.05500	0.7
56.05017	0.6
57.03402	0.2
57.07066	2.1
59.18158	0.2
67.05515	0.4
69.03436	0.3
69.07059	10.3
69.91562	1.1
70.06586	2.8
71.06931	0.8
72.08153	0.7
77.00614	0.2
81.03420	0.2
81.04546	0.4
81.07056	0.5
83.01334	0.3
83.04974	0.8
83.08634	0.2
84.04501	0.5
84.08133	1.9
85.02872	0.3
85.06544	1.2
86.00665	0.3
86.09695	100.0
87.10029	0.6
91.05468	0.7
93.07018	0.2
95.06104	0.3
95.08593	0.4
97.02857	0.2
98.09685	0.4
98.97543	0.3
99.04465	0.2
101.06019	0.2
105.07027	0.4
119.01865	0.2
120.08104	0.2
120.99589	0.3
123.09181	0.4
128.06223	0.4
129.06990	0.4
129.10237	0.6
131.08566	0.3
132.10191	1.6
134.99689	0.3
136.59831	0.2
142.03250	0.4
145.10088	0.3
157.06544	0.2
157.10075	0.3
175.07530	0.3
185.05969	0.3
199.09000	0.5
199.11450	0.8
199.18094	0.8
217.08435	0.2
227.10695	0.5
228.12187	0.2
245.04842	0.3
245.07875	0.3
245.09840	0.3
245.11795	0.7
245.18645	2.5
245.22667	0.2
246.13449	0.4
260.20071	0.3
260.56454	0.2
269.57013	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1169
Annotation	Emmotin H
Peak:m/z	Relative Intensity
55.01862	6.3
55.05494	3.2
56.96526	1.6
57.03430	1.2
65.03922	3.2
65.24384	1.1
67.05497	34.3
69.03423	31.8
69.07056	2.0
69.58716	2.0
69.59121	7.7
69.86506	1.1
79.05496	6.4
81.03374	1.9
81.07064	2.8
83.04976	4.3
84.08123	1.9
85.02867	1.6
86.04896	1.1
91.05451	10.8
93.07029	2.1
95.04954	41.0
95.08581	1.7
98.21465	1.1
103.05450	1.6
103.96317	1.2
105.07014	15.6
107.04945	2.4
107.08572	1.8
111.02705	1.3
111.04412	1.1
113.52475	1.2
115.05434	3.3
117.06998	4.8
119.04906	3.9
119.08572	12.6
121.05708	1.6
121.06500	17.2
123.08053	5.2
125.09653	1.6
128.06197	8.0
129.06998	10.8
131.04901	1.3
131.08572	5.5
133.06496	12.8
133.10109	4.6
135.08035	25.4
141.06998	8.4
142.03200	1.4
142.07788	5.6
143.08549	12.3
144.05756	1.3
144.09352	3.1
145.06468	7.2
145.10127	5.1
146.07225	3.7
147.08031	13.8
147.11623	3.3
148.08849	2.5
149.05951	3.0
153.06915	2.3
154.07787	2.1
155.01553	4.8
155.08504	5.4
156.09338	26.6
157.06464	7.3
157.10143	7.9
158.07274	7.8
159.08046	42.8
159.11684	6.8
160.08849	7.2
161.06013	8.4
161.09615	21.2
161.13219	2.9
163.07501	3.0
165.06964	5.3
166.07759	8.6
167.08441	1.4
169.06467	11.3
169.10017	1.9
171.08034	9.5
171.11684	13.6
172.08820	20.9
173.05890	1.9
173.09605	13.0
174.06743	24.4
174.10373	11.7
175.07518	19.1
175.11153	20.2
176.08278	2.5
181.06447	1.4
181.10078	7.9
183.08028	4.9
184.08827	28.3
185.05968	1.7
185.09602	8.9
186.10362	1.8
187.07524	11.6
187.11197	7.8
188.08299	7.0
189.05457	1.5
189.09097	47.4
189.12720	44.3
189.14050	1.2
194.07338	2.2
197.05884	6.2
197.09666	2.7
199.11169	66.8
200.08440	1.3
201.09055	3.6
202.09801	6.1
203.06953	1.6
203.10701	6.6
209.09557	14.8
211.07486	2.2
212.08301	45.1
215.10658	18.5
215.12573	1.5
217.12221	72.0
227.10651	100.0
228.10823	1.8
230.09532	1.9
245.11714	100.0
245.23047	2.5
246.12057	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.0503
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58607	0.3
55.05490	0.4
56.96547	1.1
58.99850	0.4
69.03407	0.8
69.07026	0.4
70.22150	1.5
73.84724	0.3
77.00902	0.7
81.03387	0.8
81.07042	0.5
82.99864	1.2
84.08107	1.7
86.99338	0.4
91.05385	0.4
97.02881	1.9
98.97562	0.4
99.04427	0.6
101.00861	4.9
102.96846	1.2
103.02419	0.4
105.00356	0.7
105.07004	0.3
109.62827	0.3
113.00846	0.8
115.02380	0.8
116.98613	1.0
119.01908	32.3
120.01982	1.9
120.97876	1.4
121.01651	6.6
121.02469	0.5
121.03453	0.4
121.10997	0.3
127.03893	0.7
129.03960	0.5
131.01897	5.2
133.03423	1.4
134.99629	0.9
135.70543	0.4
136.99608	0.8
137.02940	9.6
138.03026	0.5
138.98892	2.1
139.02621	2.3
142.03442	1.3
143.01880	7.2
145.03436	4.8
147.01358	0.9
147.05016	0.4
149.02934	1.5
149.06580	0.5
155.00703	0.8
155.01877	2.1
156.99934	0.6
157.03456	6.2
157.10132	0.4
159.05023	0.8
160.04460	0.5
160.99702	0.9
161.02942	32.8
162.02991	0.7
163.04491	1.1
167.01878	0.5
169.03473	1.0
171.04984	0.5
171.07854	0.5
173.02934	6.2
175.04524	5.8
177.00899	2.1
177.02423	0.6
177.09712	0.4
178.01076	2.0
179.00676	27.9
179.03946	2.4
180.00764	0.8
184.04562	2.6
185.02937	7.9
187.04491	2.7
189.06134	0.8
191.04070	1.9
195.03777	0.3
197.02995	3.1
198.06104	0.5
199.00821	0.5
199.04529	1.5
202.02295	1.2
203.00690	1.0
203.02432	0.3
203.03987	7.0
205.05617	0.4
215.03949	2.4
217.05562	1.7
219.01924	0.6
219.03816	4.6
220.01886	1.6
221.01752	28.8
221.04752	2.2
222.01935	2.4
226.05580	0.7
227.00632	2.4
227.03920	1.3
233.05095	1.0
236.00516	0.4
239.98425	0.4
244.03426	0.8
245.01822	7.5
245.05025	19.3
245.11971	2.1
245.22737	0.4
261.03085	0.9
263.02844	100.0
264.02994	4.2
265.03180	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.0917
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01843	0.4
60.36858	0.3
63.53642	0.4
68.99781	0.9
69.07110	0.4
70.06559	0.8
70.64837	0.3
71.13636	0.9
71.13982	0.4
81.07007	0.4
84.08125	0.6
86.09674	3.1
86.14195	0.4
87.00810	0.9
91.05470	0.7
105.03451	0.4
105.06973	0.6
108.69727	0.4
115.05435	4.1
115.28107	0.4
116.04994	0.5
116.98603	0.7
117.05760	4.0
117.06992	0.4
118.06534	2.8
128.06236	0.5
129.07004	2.3
130.06506	12.7
132.08067	55.2
133.08379	0.4
136.70416	0.4
142.03233	0.4
142.06509	7.6
142.07614	0.8
143.07268	0.7
144.08052	0.6
154.06500	1.3
156.06804	0.7
156.08043	5.3
156.09209	0.7
157.07591	9.2
157.08682	0.4
157.10172	0.4
158.06006	1.5
158.08368	7.2
159.09151	100.0
159.82506	0.4
160.07561	9.9
160.09483	1.5
167.06015	5.4
170.05978	4.2
171.06775	0.6
171.09232	0.7
172.07564	1.4
174.75531	0.4
181.07625	2.2
182.05931	0.8
183.09187	1.3
184.05907	0.8
184.07550	16.0
185.07071	47.7
186.07362	0.8
189.09242	0.4
198.05402	0.5
199.08694	2.0
199.11162	0.6
200.07039	6.8
201.10193	13.9
202.10544	0.4
209.07051	2.3
210.05367	0.5
227.08118	41.0
228.08426	1.0
245.09204	21.9
245.11510	0.8
246.09566	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.0055
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06588	100.0
71.06937	7.4
71.74113	12.0
72.08158	13.6
84.04501	19.2
84.08119	45.0
86.06063	23.6
94.93017	8.7
101.00880	26.0
112.05088	33.8
113.04735	10.5
113.05437	18.0
116.07101	10.8
119.01913	84.6
129.10306	11.1
129.97876	5.8
131.01907	30.6
137.02950	9.0
142.03389	10.4
143.01840	16.5
145.03476	21.6
155.01878	21.9
157.03487	17.2
161.02925	37.7
173.02968	26.0
174.03053	7.2
175.04539	9.8
185.02942	67.1
187.04475	11.9
197.02948	19.7
203.04007	27.6
221.05054	22.1
240.06319	7.1
245.05017	34.4
245.07466	42.9
245.11508	19.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.0056
Annotation	Unknow
Peak:m/z	Relative Intensity
67.31244	4.4
67.51836	4.2
68.05000	5.0
69.03407	4.3
70.06585	100.0
71.18497	10.7
72.08147	13.7
82.13870	4.0
84.04506	23.8
84.08141	37.7
86.06055	11.5
94.93008	8.1
97.02879	7.4
101.00883	25.8
106.31609	4.1
112.05064	28.0
113.04749	5.7
113.05426	23.6
115.02419	6.1
116.07096	12.6
119.01900	76.6
120.02044	4.5
129.10246	5.0
130.04994	7.7
131.01891	29.3
132.06564	6.0
137.02924	11.5
141.21603	3.9
142.03380	5.1
142.40421	4.3
143.01923	12.5
145.03482	22.8
155.01900	22.9
157.03461	18.3
161.02960	33.5
163.04472	9.4
167.01917	11.9
172.60300	5.0
173.02986	41.7
174.03183	4.8
175.04558	6.5
184.04512	4.3
185.02946	70.4
187.04518	11.9
195.40996	4.5
197.02950	14.1
203.04036	24.5
215.04013	6.4
221.04999	14.6
244.16368	4.1
245.04988	22.5
245.07481	31.6
245.11345	23.6
269.49100	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	244.1079
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45547	0.7
55.05507	0.9
56.96540	1.1
67.05470	1.0
68.86717	0.8
70.06573	5.5
71.14063	1.1
71.14415	1.4
72.08128	2.5
74.02436	5.4
81.03366	1.4
84.04477	1.7
84.08145	6.5
86.09694	3.2
87.32106	0.6
91.05460	3.3
91.86746	0.8
93.55083	0.7
100.07603	0.9
101.00873	0.8
115.05509	0.7
116.57533	0.7
117.05747	16.8
118.06554	1.0
119.04929	7.2
120.08050	0.9
121.06445	1.7
122.06070	0.9
127.07720	0.7
129.06978	5.8
129.10204	1.7
130.06516	45.0
131.07312	5.9
141.05719	0.8
143.07275	13.1
144.08078	14.9
145.07559	0.8
147.04390	18.1
147.11179	0.8
148.07538	2.0
154.06490	20.2
155.06026	8.2
156.06915	0.8
156.08060	21.3
157.06291	1.3
157.07587	22.0
158.06000	10.8
158.08324	6.7
159.09068	0.9
164.07040	13.9
166.06531	0.8
167.07272	1.4
169.05220	5.2
169.07559	3.7
171.09155	26.4
172.07590	0.8
172.09473	0.7
181.07588	26.2
182.06044	4.5
182.08289	2.8
183.09166	10.7
184.09381	0.7
185.07080	63.0
186.07558	1.6
187.06241	1.1
198.10236	24.3
199.08701	2.0
200.07047	2.3
203.08057	0.9
208.09776	1.0
209.07076	13.4
227.08128	100.0
228.08438	1.9
239.06291	1.0
244.02725	2.4
244.10794	20.9
244.16589	1.0
245.09094	1.2
259.13589	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	244.0967
Annotation	Isotaifine
Peak:m/z	Relative Intensity
53.03928	1.3
53.72981	0.6
55.01871	4.9
56.05016	1.1
57.03414	3.0
60.04515	1.0
68.05012	0.9
68.99770	2.3
69.03410	3.1
69.07050	1.0
69.78532	4.2
70.06586	6.5
71.01360	1.1
71.04983	0.9
72.04082	0.7
72.08144	2.4
73.02901	0.8
78.63921	0.7
81.03405	6.7
84.04493	1.8
84.08138	5.8
85.02882	6.5
86.09701	7.8
88.03954	0.8
91.05453	1.6
95.01303	1.1
96.01696	0.8
97.02889	16.9
98.06016	0.8
98.97569	1.0
100.07599	3.8
103.05460	1.2
109.02842	2.0
112.08712	0.9
113.02306	1.7
114.05522	1.1
115.05455	1.0
117.05742	5.7
118.06535	10.3
122.09558	0.6
127.03916	1.2
128.06209	2.2
128.07057	5.8
129.06995	8.5
129.10220	1.2
130.06517	61.5
131.06866	1.0
132.08081	4.1
141.07114	0.8
143.07359	1.5
143.08528	2.2
144.04424	6.2
144.08066	6.7
145.06490	0.8
146.05978	2.7
153.06943	1.0
154.06482	7.4
155.07251	4.5
156.08070	16.7
157.05243	0.9
158.06000	69.8
159.06418	1.5
167.07297	1.2
168.08066	10.4
170.05986	2.6
170.09625	10.5
172.07549	8.4
172.90013	0.7
173.74652	0.7
174.06273	0.8
180.08093	7.2
182.06035	2.8
183.06779	6.1
184.07547	11.2
186.09158	1.4
196.07576	4.6
197.08368	1.1
198.06267	2.6
198.09132	19.7
198.11052	1.3
200.07077	2.3
208.07513	2.2
213.07819	2.8
214.06836	1.1
214.08641	10.7
216.07263	1.2
216.10138	1.7
226.08636	13.5
226.10674	1.4
226.14355	1.0
239.04002	0.7
244.09668	100.0
245.07835	0.9
245.10048	2.8
250.86522	0.7
260.62857	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	244.0967
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.0
54.45345	0.6
55.01874	5.3
56.05032	0.6
57.03416	1.0
60.58286	0.6
60.58610	0.6
68.99786	1.6
69.03421	1.7
70.06579	4.0
70.75888	1.7
71.01334	1.2
71.04967	0.8
71.61839	0.6
72.08128	1.9
73.02888	1.1
81.03403	3.6
81.07028	0.7
84.04493	1.5
84.08119	2.5
85.02890	2.8
86.09692	2.4
89.73518	0.6
91.05475	0.9
95.01302	1.3
96.01689	1.2
97.02888	19.1
100.07601	3.6
103.05436	1.5
109.02837	0.7
113.02328	1.5
115.05412	0.7
117.05767	4.6
117.06997	0.6
118.06542	5.9
128.06210	1.9
128.07050	8.4
129.06998	7.4
129.10205	1.0
130.06519	68.8
131.04892	1.6
131.06877	1.1
131.08623	0.6
132.08072	4.5
136.16043	0.5
142.06454	0.7
143.07298	1.6
143.08565	1.6
144.04431	10.7
144.08067	6.6
145.06448	1.1
146.05927	3.0
154.06499	8.8
155.07239	4.4
156.08061	17.4
158.06006	76.4
159.06386	1.7
167.07262	2.5
168.08070	12.3
170.06021	1.8
170.09634	9.8
172.07509	8.0
174.06334	1.1
180.08105	5.2
182.05972	1.7
183.06781	6.0
184.07582	8.9
185.05481	3.1
186.09132	1.4
188.31810	0.6
196.07535	3.7
197.06085	0.8
197.08115	0.8
198.06337	8.9
198.09111	8.6
200.07071	2.9
202.05823	0.8
202.79062	0.6
208.07509	1.7
213.07780	4.4
214.08624	11.5
216.10164	1.0
226.08623	6.2
226.14272	0.6
244.09666	100.0
245.09952	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	244.0929
Annotation	Cytosine arabinoside
Peak:m/z	Relative Intensity
52.45118	0.5
55.01852	0.8
55.05492	0.9
56.96561	12.0
57.03421	1.9
60.04527	0.7
61.02914	2.4
61.45440	0.6
68.05022	0.7
69.03407	1.9
69.04551	1.5
69.85843	3.9
70.06220	0.7
70.06589	10.8
70.98108	1.4
71.04999	0.6
71.95254	2.0
72.07771	1.2
72.08150	18.4
72.90343	0.5
73.02906	2.6
81.03461	0.7
81.04523	3.8
82.05338	0.6
84.04496	1.3
84.08131	7.4
84.96022	1.1
85.02905	3.0
85.08491	0.6
86.09694	1.8
87.04471	1.2
88.99170	0.6
92.36045	0.6
95.02447	3.1
97.02882	3.3
97.03395	0.5
98.03561	0.9
98.05993	0.7
98.20580	0.5
98.97573	9.9
99.04464	0.6
101.00851	1.1
106.02836	0.8
109.02880	0.6
110.09676	1.5
110.97545	0.9
112.05083	100.0
112.99137	1.6
113.03488	3.3
113.05417	1.3
115.08713	0.7
116.07066	1.3
116.98618	6.4
119.01919	5.1
122.07101	1.5
123.05531	1.1
123.07927	8.7
128.98630	1.3
129.10251	1.1
130.08641	0.6
131.00169	1.4
131.01906	1.3
133.03413	1.0
134.99631	2.7
137.02945	0.5
140.07074	0.9
142.03790	0.7
142.96506	1.6
144.05061	0.8
145.01669	1.1
145.03450	1.7
146.99615	1.3
148.03885	1.2
148.54071	1.5
149.01256	1.1
149.02898	0.9
152.05658	1.9
153.04115	0.9
154.04312	1.6
154.05559	0.7
155.01859	0.7
155.08255	0.6
157.03433	1.3
157.04518	0.6
158.08101	2.8
160.97563	1.5
161.02936	2.4
163.04439	2.3
163.54631	0.6
165.00777	0.9
166.06129	1.5
169.04413	2.1
170.95990	1.5
172.04616	0.7
175.02855	0.7
175.11951	0.7
177.00723	0.9
178.04877	6.4
178.54959	0.7
179.55829	0.6
184.07100	0.9
185.02953	0.8
187.00233	0.8
188.97040	6.3
189.55702	0.7
190.05696	1.7
193.00244	1.0
193.03767	1.2
197.03073	0.8
198.06914	2.0
202.98633	1.3
203.03987	0.9
205.01646	0.7
206.98106	4.6
214.05585	1.0
219.01657	0.7
220.99667	1.2
221.05060	2.5
227.13902	1.4
230.98102	0.6
232.06738	1.4
237.02859	0.8
239.06133	2.1
244.07352	9.7
244.09390	1.4
244.11481	1.0
244.16489	4.9
245.05095	1.7
262.07874	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.2105
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	6.3
57.07053	2.3
65.03933	1.4
67.05138	1.0
67.05494	17.0
69.07059	6.5
69.49160	1.1
69.49565	6.0
74.62899	0.7
77.30137	0.7
79.05485	13.1
81.07045	18.4
83.08594	2.3
91.05466	20.0
93.07029	15.2
95.08594	16.2
105.07020	19.1
107.08586	10.3
109.10143	9.9
115.05394	0.9
117.07006	14.7
119.07733	1.1
119.08561	16.5
121.09276	0.9
121.10135	12.2
123.11720	3.5
129.06978	2.5
130.07774	1.7
131.08551	36.1
133.10109	15.0
135.11676	8.6
139.72104	0.6
143.08563	1.5
145.10104	30.4
147.11662	13.7
149.13237	4.2
157.10094	2.0
159.11681	22.1
161.13232	17.8
163.14778	1.7
171.11659	1.9
173.13248	23.4
175.14793	4.1
185.13164	1.5
186.13878	0.7
187.14803	14.9
201.16321	7.0
215.17917	3.4
243.21051	100.0
244.21440	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	244.0274
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.7
55.05512	1.0
56.05020	0.7
58.06574	0.6
60.04509	0.6
61.73157	0.7
63.73114	0.6
65.03918	0.9
70.06584	6.4
71.66328	1.1
72.08134	2.2
72.86790	0.5
74.02421	1.6
81.07070	0.7
83.06100	0.6
84.04493	1.5
84.08129	5.9
86.09686	2.9
91.05467	11.7
93.07021	1.6
103.05437	1.5
110.06021	0.7
110.07135	0.8
117.05730	3.4
119.04931	31.1
121.06509	7.9
122.06024	5.0
129.06985	1.4
129.10214	2.0
130.04997	0.9
130.06514	8.7
130.08633	1.0
131.07301	1.0
135.85184	0.5
143.07278	2.7
144.08066	3.2
147.04388	100.0
147.11269	0.8
148.04811	1.3
148.07527	1.6
154.06497	3.4
155.05981	2.0
156.08060	5.2
157.07553	3.7
158.05997	2.2
158.08342	1.3
164.07051	75.0
165.07417	0.9
169.05260	1.3
169.07593	0.6
171.09138	5.1
181.07619	5.4
182.01308	0.5
182.05933	0.9
182.08253	0.7
183.09192	2.2
185.07095	14.6
198.10138	4.3
208.09683	0.8
209.07115	2.7
217.00845	0.6
227.08141	17.9
239.06140	0.8
244.02737	14.2
244.11166	2.4
244.16585	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1589
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03434	0.6
53.03936	1.0
55.01868	0.7
55.05505	12.1
56.96566	0.6
57.03431	13.7
57.07066	2.9
59.04999	1.8
65.03932	1.5
67.05499	51.2
69.03447	0.8
69.07060	4.2
69.61829	1.3
69.62245	3.6
70.06595	1.7
71.04985	8.6
71.08624	0.6
73.06553	0.7
79.05484	7.4
79.10084	0.5
81.03429	0.8
81.07047	100.0
82.07394	1.1
83.04970	0.8
83.08620	4.1
84.08115	1.6
85.06534	13.3
90.26899	0.5
91.05476	10.1
93.07030	2.4
95.04964	1.3
95.08598	6.6
97.10162	2.2
98.06010	0.6
105.07014	5.1
107.08583	5.2
109.06480	0.9
109.10143	5.2
117.07021	1.0
118.78887	0.5
119.08537	1.5
121.10132	2.3
123.11694	17.3
124.11959	0.6
125.09583	0.7
129.06943	0.9
131.08521	1.9
133.06497	0.7
133.10115	11.7
137.05872	0.7
142.07719	1.0
143.08495	0.9
145.10071	1.8
147.11633	0.7
151.11162	5.7
153.06868	0.6
155.08531	1.2
157.10016	0.7
159.08015	1.7
159.11664	1.4
167.08421	0.6
169.10233	1.2
169.12193	2.6
173.09492	0.8
173.13141	1.4
183.08012	1.0
183.11705	1.2
185.09593	0.7
185.13292	0.8
187.07407	0.6
187.13277	11.9
187.14742	1.1
197.13194	0.8
199.14699	0.6
222.80103	0.6
225.12604	0.6
243.10175	2.5
243.13831	2.8
243.15822	32.9
243.21063	4.6
244.15959	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1338
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16052	0.5
55.05508	0.9
56.05034	4.1
56.96550	1.3
60.78791	0.6
61.82109	0.6
63.70557	0.5
69.03437	0.9
69.07067	1.3
70.06587	5.5
70.08369	2.9
71.04967	0.9
72.08143	2.6
77.67471	0.5
81.03423	0.7
81.07037	0.7
82.06583	0.7
83.04971	0.8
84.04497	92.0
84.08126	5.4
85.02901	1.5
86.09698	100.0
87.10052	1.3
91.87157	0.5
95.04935	0.6
96.04503	0.6
97.02924	0.5
98.20967	0.9
98.97592	0.8
102.05519	0.6
110.07161	0.7
113.07076	1.0
116.07082	0.8
116.98573	0.8
121.02900	0.7
129.06577	3.6
129.10225	1.5
132.10191	44.3
132.59236	0.6
133.28516	0.6
141.06572	4.1
152.10620	0.6
161.96191	0.6
171.85965	0.6
174.85971	0.5
187.20021	0.6
197.12837	36.9
198.13127	0.8
223.01501	0.6
225.12251	1.3
243.06624	0.9
243.10367	3.1
243.13374	6.4
243.18132	1.0
243.20787	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1338
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	0.6
56.05034	3.3
56.96568	0.7
59.62370	0.4
67.05503	0.5
69.07064	1.3
70.06602	2.3
71.27195	0.4
71.27530	0.8
72.08145	0.8
72.93772	0.6
75.63436	0.4
79.05469	0.6
81.03405	0.9
83.04977	0.5
84.04494	88.9
84.08125	3.1
85.02900	1.0
85.04826	0.5
86.09695	100.0
87.09995	0.6
91.05453	0.6
95.06042	0.5
96.04469	0.5
98.97572	0.9
107.04980	0.6
110.07136	0.9
113.07107	0.9
116.98653	0.6
129.06567	3.8
129.10191	0.8
132.10187	44.0
137.07047	0.7
141.06566	3.4
146.99582	0.5
152.10696	0.9
155.08382	0.4
161.12651	0.4
165.09122	0.5
167.07986	0.4
173.09671	0.4
197.05884	0.6
197.12834	38.0
198.13036	0.5
225.12387	2.0
243.06483	0.5
243.11060	0.6
243.13385	8.3
243.21098	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1338
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29100	0.5
55.05505	0.7
56.05034	3.9
56.96570	0.8
59.49228	0.4
60.04522	0.5
67.05494	0.7
69.07060	11.3
70.06586	6.8
71.04988	0.5
71.26375	0.4
71.32961	0.9
72.08150	1.5
74.06068	0.4
79.05513	0.6
81.03419	0.6
81.07050	0.9
83.04980	0.5
84.04497	93.3
84.08128	4.5
86.09696	100.0
87.09363	0.4
87.10059	0.9
88.04028	0.4
89.94223	0.4
91.05468	1.0
93.07024	0.6
95.04939	0.8
95.08607	0.5
96.04500	0.9
98.21121	0.7
99.64519	0.4
107.08644	0.6
110.07162	1.6
112.05070	1.7
112.07545	0.4
113.07069	0.5
114.09126	0.4
115.73338	0.4
116.07083	0.7
119.08544	0.5
120.08067	1.1
129.06584	19.9
129.07549	1.0
129.10225	1.0
131.04913	0.5
132.10187	26.0
141.06618	0.6
156.07651	0.7
169.04912	0.7
169.13373	2.0
173.12990	0.5
197.06017	0.8
197.12839	47.7
198.11252	0.6
198.13098	0.8
215.13940	0.8
222.03319	0.4
225.12259	1.2
243.06454	0.5
243.10791	0.5
243.13406	6.3
243.17290	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	242.0997
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	0.7
55.93512	1.0
56.05016	1.4
56.96546	0.7
64.29403	0.8
67.05506	0.7
69.03423	0.8
69.07043	0.9
70.06583	4.9
71.04946	0.7
71.26202	1.4
72.08154	1.6
72.93771	1.6
74.71965	0.7
75.96812	0.6
81.03394	0.7
83.04929	1.0
83.06097	1.3
84.04490	14.7
84.08125	4.4
85.02871	1.0
86.01899	0.6
86.06058	0.6
86.09697	17.1
110.07147	2.1
112.03719	8.4
117.15760	0.6
127.12268	0.7
129.06543	1.1
129.10214	3.4
132.10190	6.2
133.10130	0.8
153.05226	6.2
156.07690	1.0
171.06268	0.8
175.00612	0.7
191.97299	0.9
194.07979	1.0
196.09721	1.2
197.12828	4.7
224.08919	8.2
225.12326	0.7
242.09972	100.0
243.10278	1.7
243.13232	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.0201
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33569	0.3
56.96558	3.0
57.11846	0.3
65.60464	0.3
70.05037	0.7
70.05450	1.3
75.93044	0.3
82.08186	0.3
84.08128	0.4
98.96961	0.6
98.97575	9.1
99.14419	0.3
101.00863	2.7
110.07147	1.4
116.98612	8.3
119.01906	12.6
119.62706	0.4
134.99667	5.3
137.02943	3.2
140.98856	0.4
142.03505	0.5
153.00751	1.0
156.97414	0.5
158.99895	1.0
161.01192	0.4
165.99620	0.5
173.01163	0.6
175.02971	0.5
177.00935	25.4
177.98119	0.4
178.01042	1.8
179.00697	0.4
182.99864	0.6
189.00656	0.7
196.94431	0.4
200.02463	0.7
200.98245	0.4
201.00844	1.5
201.02606	0.6
214.95453	4.1
217.04059	2.8
219.01974	28.2
220.02141	3.5
221.02043	0.5
225.00781	2.0
232.96594	4.0
237.97267	1.7
242.03598	0.5
243.01917	6.2
255.98204	1.4
261.03046	100.0
262.03149	4.3
263.03229	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1947
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86394	0.8
55.05505	5.0
57.03439	1.0
57.07069	7.4
67.05487	6.6
69.07062	10.3
71.08608	1.5
71.63741	1.8
79.05486	5.7
80.03288	0.8
81.07056	7.9
83.08633	4.5
91.05463	10.0
93.03695	1.6
93.07052	5.7
95.08585	5.0
97.10162	1.6
105.07013	9.5
107.08587	2.9
107.79498	0.8
109.10157	1.5
113.43578	0.9
115.05439	2.6
117.07007	33.6
119.04922	0.9
119.08581	4.7
121.10112	3.1
128.06212	4.6
129.06993	23.0
131.08554	35.1
133.10126	6.6
135.11688	1.2
141.06960	1.4
142.07774	5.0
143.08553	23.1
144.09380	1.0
145.10112	13.4
147.11693	8.9
149.13239	2.0
155.08458	1.5
156.09351	2.1
157.10112	17.5
159.11688	37.5
161.13211	2.6
167.97362	0.8
169.10106	3.4
170.10800	1.1
171.11674	19.7
173.13246	37.1
183.11629	2.8
185.13245	32.9
187.14844	2.6
199.14798	36.4
209.55562	0.8
213.16364	5.5
223.92276	1.0
241.19490	100.0
242.19775	2.4
242.28421	1.1
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
51.23931	2.0
53.03904	2.1
55.01865	8.8
55.05512	2.4
55.93524	2.7
56.94303	27.4
56.96561	15.3
57.03426	14.1
58.06590	10.3
59.06924	2.9
61.02643	2.1
61.02920	13.7
69.03426	10.0
69.67834	11.9
69.68256	5.3
70.06583	16.7
71.01336	4.9
71.04996	2.4
72.93779	44.1
73.02906	10.7
74.06085	2.3
76.76691	1.9
79.90144	1.9
81.03410	5.4
83.01338	2.0
84.04474	2.5
84.08135	9.4
85.02888	15.6
85.08446	4.0
87.00832	3.8
87.04454	6.6
89.02354	3.0
90.94810	15.9
95.01323	6.2
97.02895	17.4
98.97572	4.4
100.02488	5.1
101.02381	12.3
104.96394	5.0
108.95853	3.4
109.02876	2.5
110.06036	3.9
110.07117	2.7
113.96391	64.3
115.03913	20.7
116.07085	8.1
116.98603	5.1
118.03521	3.5
119.01904	12.0
121.01656	5.7
122.97398	3.9
127.03854	3.7
129.01816	12.6
129.11052	2.4
131.01881	3.2
131.97426	59.8
133.03487	13.5
134.99631	3.1
137.02902	4.0
139.04201	3.0
143.03407	12.5
144.99783	3.8
145.03522	2.8
145.98987	4.5
147.03162	4.7
148.04726	13.4
148.54861	4.9
148.97668	6.1
151.04523	6.9
154.04750	5.8
154.99010	7.1
156.03586	3.1
157.01329	16.8
158.93692	13.2
159.05017	2.3
159.55539	2.5
161.02927	4.3
161.04440	8.6
161.05618	3.6
163.05307	3.3
170.05959	3.2
173.02942	2.9
175.02432	3.7
175.04591	2.4
176.94797	13.5
177.00616	2.9
181.95374	11.0
187.04617	3.6
189.03918	50.3
191.00391	3.6
196.00928	7.6
197.09918	3.1
199.96445	3.4
201.00723	3.5
209.94858	17.6
219.01633	4.1
222.98045	2.9
227.95874	38.3
228.03590	4.0
242.09972	16.1
242.15787	100.0
245.05252	2.3
250.97490	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	241.1795
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01834	5.1
55.05510	26.1
56.96553	9.0
57.03421	19.6
57.07051	7.6
67.05500	69.3
69.07060	26.6
71.04977	9.8
71.08581	5.3
71.14741	11.7
79.05483	34.8
81.03411	5.2
81.07050	100.0
83.04967	9.9
83.08611	23.8
85.06523	20.3
90.78199	4.2
91.05487	24.0
93.03698	9.7
93.07043	62.5
95.04961	8.5
95.08616	28.6
97.06510	20.1
97.10172	7.7
99.08059	5.3
104.06162	4.2
105.07026	16.7
107.08588	37.8
109.10155	4.5
111.08073	7.3
117.06994	17.5
119.08593	7.2
121.06429	6.8
121.10128	16.1
129.06992	8.3
131.08545	19.5
133.10136	12.3
135.04323	6.3
135.11682	13.8
143.08498	10.0
149.01183	8.7
149.13268	50.3
157.10088	11.8
159.11652	23.5
163.64413	4.6
171.11678	11.7
177.12769	13.9
185.13152	5.9
195.13756	13.9
199.14848	7.2
211.89278	4.3
220.12119	8.7
241.15889	6.5
241.19604	31.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1796
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.6
55.01870	4.5
55.05502	18.9
57.03425	23.2
57.07069	4.5
60.64140	2.1
65.03924	2.8
67.05499	80.2
69.07068	27.7
69.49371	7.5
69.49793	17.9
71.04980	6.5
71.08617	3.4
79.05491	38.2
81.03405	3.2
81.07049	100.0
83.04977	9.4
83.08617	19.3
85.06541	12.5
91.05476	27.3
93.03738	7.0
93.07035	67.8
95.04964	8.1
95.08604	26.6
97.06503	13.9
97.10136	3.2
99.08109	5.5
105.07018	11.1
107.08580	31.3
109.10133	4.4
111.08084	6.2
117.07017	20.2
119.08605	6.9
121.06504	3.4
121.10120	22.6
129.07013	13.1
131.08531	17.4
133.10124	14.4
135.08105	3.6
135.11681	20.0
143.08501	12.2
145.10147	4.0
147.11642	5.5
149.13246	56.6
150.13583	2.7
157.10100	15.8
159.11653	26.2
171.11693	16.9
173.13260	6.9
177.12688	16.4
185.13226	11.5
195.13795	20.5
199.14879	7.5
241.08746	3.0
241.12273	2.9
241.15782	3.4
241.19501	45.3
242.10286	2.8
251.42400	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	241.1797
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	3.1
53.15733	2.5
55.01859	4.8
55.05511	19.5
57.03432	19.2
57.07064	7.3
58.78666	2.6
61.98849	2.6
64.76049	2.2
66.62069	2.3
67.05501	75.2
69.07068	27.9
69.48484	13.5
69.48911	12.7
71.04987	9.9
79.05487	34.3
81.07050	100.0
83.04967	7.2
83.08626	17.7
85.02888	10.6
85.06532	15.0
90.11365	2.7
91.05469	22.1
93.03700	5.3
93.07038	69.2
93.07594	5.6
95.04959	9.6
95.08598	32.8
97.06528	18.4
97.10159	4.0
99.08100	5.6
103.52712	2.5
105.07036	13.1
107.08591	33.5
109.06528	4.1
109.10157	5.7
111.04299	2.3
111.08094	8.5
117.07006	17.7
119.08602	5.5
121.06496	2.8
121.10142	20.3
123.11793	2.8
128.06250	3.0
129.06995	8.3
131.08572	12.6
133.10124	11.0
135.08083	3.7
135.11678	15.1
143.08586	10.1
145.10161	4.3
149.09497	2.7
149.13261	59.2
157.10165	8.9
159.11687	34.3
160.12143	3.0
171.11684	8.5
173.13213	3.7
177.12776	10.0
185.13223	5.6
195.13727	17.8
199.14868	4.0
238.19077	3.1
241.08463	3.6
241.15799	5.6
241.19537	25.3
242.28513	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	241.1796
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77213	2.8
55.01867	4.0
55.05507	18.2
57.03439	15.4
57.07066	4.6
65.03947	4.3
67.05496	64.5
69.07056	19.4
69.50958	32.6
71.04981	12.9
74.24377	3.1
79.05496	37.0
81.07053	100.0
83.04973	4.6
83.08613	19.8
85.02910	22.5
85.06531	11.9
91.05464	21.5
93.03719	5.2
93.07037	62.7
95.04955	7.8
95.08596	28.2
97.06508	21.0
97.10159	4.6
99.08088	3.6
105.07011	5.8
107.08597	26.9
109.06532	4.8
109.10172	3.7
110.23196	2.9
111.08042	6.6
117.07034	12.5
119.08607	8.3
121.10113	20.1
129.07001	6.4
131.08560	16.9
133.10133	13.6
135.11694	16.0
145.82074	3.6
147.11580	3.5
149.13251	52.4
159.11690	23.6
167.14359	4.2
177.12758	9.1
185.13206	6.7
195.13797	22.0
219.95802	3.1
225.03181	3.6
230.39310	3.5
241.05011	3.3
241.08582	7.4
241.15823	4.7
241.19652	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	241.1795
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03917	3.8
53.64071	2.0
55.01868	3.4
55.05507	20.9
57.03434	22.3
57.07060	4.6
67.05496	82.1
69.07063	30.4
70.71658	5.5
70.72065	4.5
71.01324	3.1
71.04978	5.5
79.05481	32.4
81.07046	100.0
83.04949	8.8
83.08601	19.0
85.06540	12.2
91.05461	26.8
93.03697	3.8
93.07030	65.0
95.04946	6.0
95.08601	34.4
97.06512	16.7
97.10182	3.5
98.20763	2.5
99.08094	4.2
105.07010	11.7
107.08589	32.1
109.10152	3.8
111.08054	8.6
117.06993	15.5
119.08562	4.5
119.72923	2.2
121.10123	17.4
129.07053	11.3
130.14536	2.4
131.08559	21.7
131.36195	2.5
132.70612	2.6
133.10101	13.0
135.11684	16.4
143.08543	8.3
147.11664	7.9
149.09494	2.4
149.12094	4.5
149.13239	55.5
149.78413	2.5
157.10095	7.9
159.11679	27.0
171.11682	10.7
173.13220	9.7
177.12721	13.5
185.13268	8.8
195.13783	16.1
199.14777	8.4
241.08495	3.3
241.19577	30.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1795
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	3.2
55.01866	14.6
55.05505	50.5
57.03418	2.3
57.07041	3.2
59.04979	1.4
67.05495	28.8
69.03398	5.6
69.07067	15.0
70.14818	7.2
71.04984	51.4
79.05488	25.1
81.03415	2.3
81.07050	28.4
83.04938	4.5
83.08612	34.1
85.06547	6.6
87.04468	7.9
90.72296	1.2
91.05473	8.7
93.03658	2.1
93.06514	1.8
93.07038	24.0
95.04940	5.2
95.08605	13.2
97.06520	100.0
97.10155	47.0
98.06849	1.9
99.08102	1.6
101.09573	1.4
105.06991	5.7
107.04920	1.6
107.08586	22.1
109.06487	2.7
109.09541	1.4
109.10159	17.3
111.04375	1.4
111.08036	4.9
113.05987	1.8
113.09567	1.7
117.07026	7.4
119.08492	2.8
121.06486	3.0
121.10096	5.7
125.09621	24.0
127.07507	1.3
129.06944	2.2
131.08562	7.7
133.10081	5.5
135.08022	6.8
135.11668	7.6
145.10062	3.4
147.11667	2.2
149.09570	3.0
149.13205	5.8
150.22498	1.5
151.11070	1.4
153.09068	1.7
157.10065	3.6
159.11673	8.8
165.12721	1.3
171.11595	3.6
175.37323	1.4
177.12741	10.4
185.13167	4.3
195.13785	47.0
199.14775	2.2
217.14293	2.5
241.17879	83.5
242.18098	1.6
263.33813	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1546
Annotation	Pirbuterol
Peak:m/z	Relative Intensity
53.03925	0.4
55.05492	0.4
56.05028	0.4
58.06595	21.7
67.05494	0.3
69.07050	0.3
70.06586	3.8
71.53629	0.4
71.53957	0.3
71.83840	0.2
72.08127	0.9
81.03394	0.9
83.48849	0.2
84.04488	0.5
84.08133	11.3
85.06515	0.3
88.35720	0.3
91.05481	0.3
91.52042	0.3
93.03706	0.5
93.07068	0.2
98.06049	0.6
98.09691	1.8
98.14890	0.2
100.11237	0.5
107.44574	0.3
110.02711	0.9
110.07176	0.6
112.02145	0.3
114.05522	0.5
116.07085	0.3
116.10723	0.3
121.44679	0.2
125.98824	0.2
126.05549	0.4
126.09129	0.5
128.10718	4.1
135.04305	0.2
138.03726	1.2
144.10168	1.4
144.77798	0.2
152.10707	0.3
155.04665	0.4
156.07677	0.4
157.03383	0.3
168.10225	1.2
180.05026	0.6
196.09668	6.6
196.11388	0.5
213.15996	0.5
241.15448	100.0
242.04697	0.4
242.15790	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1545
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78363	0.4
56.96551	0.4
58.06592	19.6
68.44630	0.3
69.03412	0.4
70.06223	0.5
70.06582	7.4
71.49892	0.7
72.08120	0.5
73.02867	0.3
81.03417	0.6
84.07652	0.7
84.08129	9.9
85.02889	1.0
97.02885	1.0
98.09673	1.5
100.11242	0.4
104.10709	1.5
116.07091	3.7
116.98597	0.4
119.01904	1.1
119.77518	0.3
126.05493	0.4
126.09174	0.4
128.09836	0.5
128.10709	4.2
131.01865	0.6
132.91273	0.3
137.02310	0.4
144.10187	1.8
153.03998	0.4
156.05014	0.4
157.03426	0.5
161.02910	0.6
163.08649	0.5
168.10223	1.1
173.02979	0.5
184.42862	0.4
185.02924	0.6
190.05554	0.5
196.09682	5.0
197.03006	0.5
198.06087	0.7
203.03976	0.4
236.52499	0.4
241.15437	100.0
242.15704	1.6
245.04980	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1433
Annotation	Drummondol
Peak:m/z	Relative Intensity
50.75976	0.6
53.03982	1.4
55.01908	1.0
55.05265	1.5
55.05507	30.0
56.05856	0.7
57.03452	0.8
59.05043	0.7
65.03942	0.9
67.01848	3.2
67.05502	3.9
69.03427	7.1
69.07064	3.3
71.05033	1.5
71.28105	1.3
79.05488	7.1
81.03463	0.9
81.07050	5.6
83.05025	2.3
83.08614	11.2
84.08169	0.6
85.06577	1.1
91.05473	4.1
93.07055	4.2
95.05010	1.2
95.08659	2.6
97.02920	0.6
97.06532	3.0
97.10154	6.1
99.04503	1.9
105.07028	4.1
107.04990	1.5
107.08587	6.8
107.09223	0.6
109.02905	0.7
109.06562	1.4
109.10157	1.0
111.04438	5.3
111.05027	0.5
113.06000	3.6
117.07036	1.3
118.34308	0.7
119.08533	3.5
121.02879	1.3
121.06489	1.2
121.10173	2.8
123.08064	0.8
125.02349	31.3
125.05988	8.1
125.06797	0.7
125.09654	2.9
127.03960	1.7
131.08623	1.7
133.10205	1.6
135.08092	0.6
135.11732	1.3
139.07590	0.9
140.04675	5.4
141.05453	17.7
145.10100	5.8
147.11678	3.0
149.09647	2.7
153.05455	17.5
157.10097	0.8
163.07678	0.7
163.11195	1.3
167.07085	1.7
171.11835	0.6
173.09605	0.6
173.50938	0.6
177.12743	4.3
179.14331	1.4
181.06412	0.9
181.08662	1.2
181.12273	1.9
185.13380	1.0
191.10686	1.3
205.12270	1.4
223.13280	100.0
224.13628	1.0
226.12617	0.6
229.10355	0.6
241.08852	1.3
241.14319	28.8
241.19615	2.1
242.14093	0.6
253.67021	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1432
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65871	0.5
51.96639	0.4
53.03961	2.0
53.32460	0.5
55.01895	1.5
55.05505	29.5
56.11472	0.5
57.03456	0.7
57.07083	1.0
57.87915	0.5
58.06590	0.7
59.05009	0.8
65.03951	0.7
67.01855	4.2
67.05496	4.2
68.31995	0.5
68.96066	0.4
68.99791	0.5
69.03419	6.5
69.07070	3.5
71.05019	1.8
71.75295	1.1
79.05490	7.1
81.03422	0.8
81.07040	8.1
83.05003	2.0
83.08604	11.5
84.08117	0.7
85.01126	0.6
85.02914	0.9
85.06555	0.9
91.05451	3.7
91.83604	0.5
93.03758	0.9
93.07032	5.0
95.04990	1.6
95.08590	2.9
97.02912	0.8
97.06522	2.4
97.10165	5.3
97.93121	0.5
99.04437	2.9
105.07005	4.4
107.04989	1.6
107.08569	6.6
109.02914	1.0
109.06548	1.7
109.10154	0.9
111.04420	3.3
111.08085	1.3
111.28282	0.5
113.06001	3.3
117.07034	1.7
119.08581	3.8
121.02875	0.8
121.06498	1.7
121.09377	0.5
121.10159	2.2
123.08143	0.5
123.11671	0.7
125.02335	31.2
125.05979	8.0
125.09631	2.8
127.03922	2.1
128.06194	0.6
129.07014	0.8
130.07771	0.5
131.08566	2.4
133.10178	0.8
135.08087	1.4
135.11710	1.7
137.09659	1.2
139.03932	0.8
139.07558	1.0
140.04660	6.3
141.05447	16.9
142.07727	0.8
143.08588	1.0
145.10098	5.4
147.11665	2.4
149.09621	3.2
153.05447	18.1
157.10130	2.0
157.11401	0.5
159.11699	0.6
163.11201	1.6
167.07047	1.4
171.11690	1.5
177.12729	6.1
179.14331	1.9
181.08618	0.9
181.12207	3.1
185.13246	1.4
191.10663	1.5
195.13844	0.6
197.13304	0.8
199.14758	1.0
205.12251	1.8
209.17354	0.5
212.09441	0.8
223.13261	100.0
224.13464	2.5
241.08870	2.5
241.14299	28.2
241.19489	4.0
244.90565	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1179
Annotation	epsilon-L-norlysyl pyrraline
Peak:m/z	Relative Intensity
55.01870	7.7
55.05504	14.8
56.05030	9.5
56.96539	6.8
57.03416	7.0
57.07062	7.5
58.06574	10.5
60.04502	6.3
67.05489	15.3
68.05016	8.1
69.07047	16.8
70.06580	70.2
71.04980	18.7
71.74180	6.6
72.04501	5.3
72.08141	14.1
72.93786	5.6
74.02435	46.7
79.05487	21.6
80.05009	9.4
81.03400	10.7
81.07034	17.7
82.06586	9.4
83.04972	14.2
83.06094	84.7
83.08599	7.5
84.04475	25.5
84.08138	55.8
85.02885	14.9
86.09678	12.7
91.05473	33.0
93.03691	22.6
93.07031	10.8
94.06579	8.7
95.04962	15.0
95.08584	9.8
97.02897	14.2
97.06496	9.6
97.10157	9.7
99.04424	7.5
105.07024	20.8
106.06557	7.6
107.04916	13.5
108.08110	8.1
109.06506	7.2
109.07622	9.7
109.58041	4.9
110.06041	9.9
110.07176	21.1
112.07602	12.1
114.05503	6.0
116.07071	5.7
117.05772	6.9
118.06532	100.0
119.04899	16.3
119.07317	5.5
120.08117	19.9
123.04424	6.4
127.03933	10.3
129.10187	11.8
130.06464	4.9
132.08086	36.7
133.06519	6.1
134.06039	27.9
135.04439	6.4
136.07571	26.8
150.09108	17.3
152.07089	10.3
156.07794	7.0
159.09171	45.4
160.07597	26.0
164.07045	9.1
168.10226	5.7
177.10234	50.5
178.08626	8.0
180.06563	9.4
182.08034	6.6
188.06990	8.2
191.97189	5.3
195.11320	15.3
196.09700	8.7
197.43661	5.7
205.09698	16.6
206.08072	8.6
214.10760	7.5
223.10732	46.8
224.09207	11.6
241.08803	9.8
241.11862	59.1
241.15556	20.1
241.19640	11.2
242.07803	5.3
242.10176	14.6
242.14992	44.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	240.1955
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	1.0
56.05022	0.7
67.05492	1.2
69.03431	0.5
69.07046	1.1
70.06588	0.9
70.69890	1.2
72.04498	1.0
72.08134	0.4
74.06081	0.6
77.50154	0.3
79.05476	1.2
80.04998	0.5
81.03432	0.5
81.07053	2.3
83.08615	0.6
84.08128	0.4
89.91966	0.3
91.05471	0.7
92.05805	0.5
93.07036	1.7
94.06553	0.6
94.07393	0.5
95.04883	0.4
95.08599	1.4
96.08117	0.6
98.06046	0.5
100.07611	0.4
107.08537	0.8
108.08105	1.2
108.08841	0.4
109.08883	0.5
110.09633	0.5
112.07594	0.5
114.09219	0.4
122.09664	0.9
123.10448	0.7
124.07582	4.5
126.09134	0.7
133.08627	0.6
133.10129	0.6
134.10422	0.5
135.11707	0.8
136.11201	2.4
137.13223	0.5
138.09148	1.0
139.09909	1.3
140.10625	0.7
142.12250	1.3
148.04721	0.5
150.12752	1.7
151.13499	0.9
152.10664	2.1
152.14311	0.5
153.11455	1.2
153.78943	0.4
154.12289	2.4
162.09973	0.5
166.05812	1.0
166.12270	4.3
167.13060	2.6
168.13850	1.3
176.11433	0.7
180.11024	0.9
194.15382	2.5
196.16954	100.0
197.17274	1.9
198.18533	1.8
240.19562	47.8
241.19887	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	240.1956
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98872	1.3
53.03934	2.0
55.01862	2.4
55.05505	15.8
56.96562	2.1
57.03416	5.8
57.07062	4.9
59.04985	2.1
62.06082	41.5
65.03939	1.8
67.05496	67.0
67.53204	1.9
69.03409	3.8
69.07053	12.9
70.06575	3.9
71.04974	5.4
71.08624	1.6
71.74971	1.5
71.75349	2.5
72.08152	2.1
73.44826	1.3
79.05487	25.3
81.03413	2.9
81.07046	50.7
82.07379	4.3
83.04953	4.2
83.08610	3.5
84.08115	3.3
85.06514	2.2
91.05465	17.4
93.07027	30.8
95.04943	11.3
95.08596	100.0
96.08932	2.0
97.06528	2.1
97.63506	1.3
97.94572	1.3
105.03376	5.0
105.07021	16.5
107.08576	14.0
108.08927	1.9
109.06496	9.0
109.10146	49.7
111.04434	2.8
111.08036	2.1
117.07008	3.4
119.08566	25.0
121.10143	8.8
122.10425	2.7
123.08044	7.2
123.11681	3.2
133.10091	7.1
135.11621	8.7
137.09605	12.0
142.12231	3.5
145.06435	1.5
149.13197	2.2
151.14781	21.4
153.06949	1.6
161.13251	9.4
170.11781	6.4
179.14297	13.1
196.17018	2.4
222.18581	3.7
240.06549	2.2
240.08694	2.6
240.12497	8.4
240.19586	68.1
240.23160	3.1
240.52907	1.7
241.08623	3.4
241.19702	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	240.1592
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39313	14.9
54.07239	14.1
55.05508	19.5
56.96545	22.3
67.05487	52.6
69.07048	30.4
70.06596	27.9
71.55537	31.3
79.05482	54.2
80.04996	17.5
81.03391	17.7
81.07059	46.2
83.04980	20.7
84.04485	22.0
84.08123	20.8
91.05470	31.3
92.17245	15.5
93.07050	44.2
95.04974	24.6
95.08585	17.6
107.08586	32.0
109.89877	14.9
111.04457	41.7
120.08099	24.2
146.09007	18.2
149.13303	20.5
150.46385	17.0
159.11688	22.7
195.13818	32.1
240.06552	30.7
240.08781	19.7
240.12279	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	240.0118
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76463	2.0
56.96562	22.6
57.03419	5.8
58.99875	2.3
69.03405	5.9
71.26654	5.3
71.95230	2.5
72.54385	2.2
77.00895	7.8
78.00977	5.3
81.03412	8.5
84.04514	2.1
85.02900	6.1
86.03709	2.1
95.01919	2.8
96.02019	4.4
97.02879	3.7
97.07630	2.4
98.97575	56.9
98.98449	6.1
101.00906	3.6
102.00937	8.3
109.02866	4.6
111.70198	2.2
115.02412	2.6
116.98613	67.3
119.01883	20.7
120.02000	13.9
121.01675	4.5
121.77404	2.6
132.01958	3.6
133.03461	3.5
134.99651	46.8
137.02951	3.3
138.96472	3.0
140.02545	2.8
145.03445	5.0
145.98579	2.7
146.03604	9.4
146.99628	3.8
152.04843	2.3
153.00725	8.9
154.94167	2.6
156.97485	51.8
157.03468	5.2
158.01305	3.7
158.03604	19.3
159.03246	2.8
161.02968	5.3
162.03168	2.8
164.24271	2.5
171.00200	2.5
172.95209	4.1
174.98537	75.9
175.04442	3.3
176.04744	2.6
177.00813	5.7
177.02301	2.6
178.00958	2.9
179.99068	4.9
180.00764	3.8
184.04478	2.2
185.02994	4.0
186.03113	5.8
189.01379	3.9
190.01015	3.4
190.96344	4.2
197.00327	5.4
198.00131	16.3
198.98573	34.3
203.03984	6.4
204.04172	11.4
206.00644	3.2
208.02057	3.7
214.96500	4.9
215.01648	3.5
215.96666	3.1
216.01169	9.7
216.08949	8.2
216.96385	28.3
216.99577	75.9
217.02464	4.2
219.02042	7.3
221.05019	11.7
222.00201	3.9
222.05203	36.9
228.99568	7.5
231.01431	2.5
234.99748	9.0
236.98534	3.4
237.02951	4.1
239.06129	10.4
239.98177	15.8
240.01826	31.5
240.06253	41.5
240.09000	5.8
240.98407	2.6
241.01360	10.4
241.05783	3.3
245.98901	2.5
257.97479	8.3
258.02893	100.0
258.97260	3.6
258.99747	23.2
259.02490	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	240.0877
Annotation	Phomonitroester
Peak:m/z	Relative Intensity
51.02375	0.6
53.03941	4.7
55.01850	0.3
62.99926	0.2
69.91805	1.1
72.82198	0.2
77.03899	1.1
81.03396	0.5
93.94881	0.2
95.04957	8.4
104.04981	0.4
105.03381	100.0
106.03709	1.0
118.06568	0.3
119.03513	1.2
125.09644	0.2
128.91112	0.2
137.04573	5.8
191.41162	0.2
196.16954	0.3
222.07704	2.9
240.08784	40.5
240.51495	0.2
241.09111	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	240.0901
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63013	0.8
53.03939	1.5
55.01873	1.1
55.05511	2.0
56.05037	1.7
56.96545	2.4
57.03416	1.8
57.07061	4.2
58.06590	2.5
59.04991	2.4
60.04527	1.2
60.05639	1.6
62.72706	0.7
63.09539	1.1
63.47893	0.8
65.03926	1.2
66.81296	0.7
67.05496	4.2
68.05018	0.9
69.03420	3.6
69.07047	1.6
70.06581	11.3
71.04982	1.9
71.74586	1.0
72.08154	2.0
72.93775	0.9
73.02919	0.8
74.00641	1.2
74.02425	2.2
74.06102	0.8
80.05003	1.4
81.03403	5.6
81.07040	2.0
82.03710	1.0
82.06568	1.2
83.04969	1.7
84.04525	4.4
84.08130	13.6
85.02908	1.9
85.06531	5.3
86.09705	2.4
88.03996	1.5
91.05476	2.0
92.01691	28.0
95.04955	3.0
95.08606	1.4
96.04474	0.9
97.02882	1.8
97.07653	0.9
98.06070	0.8
98.09672	0.8
98.97581	1.0
102.05540	2.5
103.06302	1.4
103.07558	4.1
104.01257	0.9
108.04477	2.3
109.02874	2.0
110.02723	100.0
110.06005	3.6
110.07154	1.9
111.04447	2.2
112.07585	4.1
113.06010	1.3
120.01155	1.2
120.08093	2.2
121.02798	0.9
122.03214	1.1
122.06050	1.1
124.07590	1.9
125.02330	0.9
127.03938	2.0
128.04276	2.4
128.10660	0.7
129.10223	7.6
130.08589	1.6
131.07031	1.4
134.05969	1.0
135.04495	0.9
136.07629	1.4
138.09128	1.8
139.09908	2.3
140.07051	1.8
142.08627	6.8
148.07587	0.8
150.05521	2.0
156.10188	3.4
157.10973	3.2
166.08614	0.9
167.03357	1.1
172.08171	0.9
189.09961	5.5
190.09166	1.3
194.08145	2.0
194.11665	1.6
195.11267	0.9
196.09483	1.0
204.06874	2.2
212.09102	1.1
214.09280	1.3
222.07889	17.2
224.02660	0.8
240.06355	3.1
240.08798	10.6
240.12474	4.9
240.23235	1.1
241.08864	0.8
241.15515	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	239.2368
Annotation	Bombykol
Peak:m/z	Relative Intensity
51.92521	0.8
53.00293	1.1
53.03948	1.0
55.05510	23.5
57.03439	0.8
57.07072	100.0
61.64517	0.7
64.96466	0.7
65.03939	1.5
67.05500	49.4
69.07066	22.1
71.04992	0.7
71.08627	55.7
79.05484	4.3
81.07050	54.0
83.08614	28.3
85.06522	3.4
85.10175	27.0
85.22360	0.8
89.06039	1.7
91.05402	0.8
93.07069	3.1
95.08601	73.7
97.10162	12.0
99.08102	2.1
109.10153	24.7
111.11726	1.7
119.08624	0.7
123.11710	7.5
137.13306	2.8
151.14778	1.2
189.03156	0.7
193.74307	0.7
221.22595	0.7
226.90268	0.7
239.18144	2.8
239.23785	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.1276
Annotation	Stachyline D
Peak:m/z	Relative Intensity
51.03328	5.9
53.03934	22.2
55.01870	6.0
55.05504	23.9
57.07070	7.9
58.40947	5.9
67.05501	24.6
69.03428	66.6
69.07059	18.9
70.90131	15.5
71.25067	6.8
79.05472	34.5
81.03412	64.5
81.07047	50.3
83.04983	20.9
83.08649	6.9
91.05478	91.7
93.07034	86.7
95.04966	31.5
95.08602	17.5
99.04450	8.8
105.07000	46.1
107.08576	62.4
109.06501	52.5
109.10150	10.7
110.07299	9.2
117.07013	7.5
119.04927	43.3
119.08586	33.5
121.06481	41.3
121.10173	8.1
123.08062	44.2
123.11734	7.8
127.03893	8.4
131.08592	10.7
133.06499	6.6
133.10115	74.1
135.08015	16.2
135.11688	14.9
136.08850	6.5
137.05965	22.8
137.09557	12.6
138.10442	12.4
142.07759	7.1
147.04388	100.0
147.11678	28.4
151.11208	7.0
155.03412	10.8
157.10146	9.8
161.05957	11.2
161.09615	67.8
165.05464	82.7
166.12332	7.3
168.13731	6.7
175.11166	76.0
179.10664	97.4
193.12271	17.8
196.16954	84.4
203.10681	23.3
221.11708	15.6
239.12773	70.6
240.19559	35.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.2366
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.5
55.05508	24.1
57.03429	0.6
57.07070	100.0
63.24134	0.6
65.03933	1.1
67.05499	51.8
69.07063	25.8
71.04974	2.1
71.08626	62.1
71.74963	1.3
72.04510	2.6
79.05480	5.1
81.07049	58.0
83.05003	1.1
83.08611	27.9
85.06535	3.8
85.10174	30.1
88.02210	1.3
89.06023	1.8
91.05470	3.2
93.07043	4.4
95.04950	2.1
95.08598	73.5
97.10156	10.9
99.08107	1.2
99.11723	1.2
105.06999	2.4
107.08587	1.0
109.10143	27.6
110.18284	0.8
111.11710	1.5
113.10717	0.8
117.06969	0.8
119.08588	2.2
122.26967	0.7
123.11699	8.7
128.06209	1.8
129.07021	4.2
131.08568	2.6
133.10100	1.4
137.13197	3.5
141.06941	4.0
142.07779	2.0
143.08549	5.3
145.10135	3.2
153.06958	1.0
154.07813	1.2
155.08546	9.9
157.10114	6.2
159.11690	2.3
167.08621	1.0
168.09303	2.1
169.10121	10.2
171.11665	7.7
173.13179	1.1
181.10126	2.3
182.10776	0.8
183.11646	11.0
185.13168	1.4
193.04958	0.9
193.12238	1.0
195.11725	1.5
196.12509	1.3
197.13232	12.8
210.14090	1.2
211.14734	3.5
217.04010	0.8
239.08836	0.9
239.17924	35.6
239.23654	1.8
240.12308	0.7
244.58296	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.0547
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	21.1
55.01860	10.9
55.05499	7.9
56.05029	2.9
56.96554	2.8
57.03429	4.5
57.07064	5.6
58.06609	1.8
59.04990	1.6
60.04511	4.5
61.02908	1.5
65.03926	17.5
67.05496	12.7
68.05022	3.3
68.99766	1.7
69.03416	4.8
69.07056	7.1
70.06583	12.3
71.04987	9.2
71.74419	2.5
71.92132	1.9
72.08147	5.9
73.02904	5.3
74.06067	8.1
77.03926	1.5
79.05474	8.4
81.03404	89.2
81.07048	12.1
82.03732	1.9
82.04195	4.1
83.01316	1.8
83.04960	5.3
83.08610	2.8
84.04503	10.6
84.08128	36.8
85.02882	4.3
85.06521	2.8
85.10145	1.8
86.09689	8.2
87.04385	1.5
88.03973	2.0
89.06016	4.8
90.52548	1.5
91.05456	20.1
92.01709	7.6
93.03375	8.7
93.07025	8.5
94.06554	1.6
95.01313	81.5
95.04955	15.1
95.05454	2.0
95.08587	9.4
95.09109	1.4
97.02869	7.6
97.06513	2.2
97.10143	2.4
102.05521	2.9
103.05464	12.6
105.03378	3.7
105.07028	6.9
107.04949	10.6
107.08606	2.2
109.02860	63.2
109.06509	3.3
109.10152	3.4
110.02725	22.0
110.03435	3.2
110.06023	2.5
110.07128	7.8
111.04417	7.6
113.02348	10.2
114.05511	2.1
119.04910	11.8
119.08541	2.1
120.08050	1.5
121.02039	2.8
121.02851	33.1
121.06487	9.5
123.04396	8.6
123.08016	2.0
123.11723	2.1
125.02383	2.8
125.71952	1.5
127.03896	100.0
129.10219	11.3
130.08620	3.8
131.04892	11.4
133.02820	3.1
133.06477	3.6
133.10178	1.7
135.04433	3.5
136.07574	16.8
137.02357	2.1
137.05980	5.8
139.03908	3.6
139.07484	1.7
141.01811	2.4
142.08640	2.9
147.04395	17.2
147.11311	1.9
149.02362	6.5
149.05963	17.9
151.03886	6.3
153.04079	5.6
156.07661	2.4
159.02934	2.5
159.04393	3.1
163.03835	2.4
165.01819	23.7
165.04149	2.2
165.05466	10.7
167.03381	30.2
167.07016	6.6
169.04945	2.0
175.03908	8.8
177.05428	11.0
179.03409	3.6
180.06572	1.6
191.03262	1.6
193.04980	8.2
195.02800	1.5
195.06520	17.1
195.11313	2.0
203.03398	3.2
221.04387	12.1
222.07971	4.4
239.05470	25.8
239.08949	4.8
239.10989	2.9
239.13776	7.8
240.08856	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	238.0531
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	0.6
56.96542	0.9
58.99583	13.2
64.51591	0.6
67.05476	0.8
68.05030	1.3
69.07056	1.4
69.39989	0.6
70.02943	1.6
70.06592	4.1
70.55136	3.1
72.08141	1.6
74.06050	0.7
76.02224	4.2
79.05486	11.2
81.03399	0.9
81.07039	0.8
82.06565	0.9
83.04971	1.0
84.04494	2.9
84.08134	6.0
86.00651	7.3
86.09701	3.3
86.99046	9.8
88.03983	20.7
91.05470	6.3
93.07024	1.1
103.05463	2.5
104.01679	1.3
104.05766	2.4
105.00093	3.8
105.03360	1.7
105.07063	0.8
106.06542	84.0
107.04940	1.7
110.07136	2.2
114.00104	2.4
114.05502	1.7
117.05737	3.4
118.06533	8.1
119.04881	0.9
120.08076	2.0
121.01076	11.0
121.08417	1.7
127.03883	1.0
129.10220	2.4
130.06520	6.3
131.04938	1.9
131.07202	0.9
132.01137	8.8
132.05247	3.1
134.06006	1.5
140.98431	3.1
142.04980	3.2
146.06003	14.1
147.02637	2.1
148.02124	2.9
148.05147	1.7
149.05518	3.0
156.97888	1.0
164.05278	20.5
164.07988	1.0
173.02933	1.1
174.03722	11.9
178.01672	0.7
178.08633	0.8
181.81972	0.7
184.97408	2.0
192.04755	2.3
192.06374	1.4
202.98506	2.2
210.05817	100.0
211.06168	1.5
214.98352	1.5
220.04274	2.2
220.09592	1.1
237.22075	0.7
238.05287	19.6
238.07053	1.1
238.10710	1.9
238.22466	1.0
238.24934	0.6
240.63249	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	238.053
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	0.3
56.05022	0.3
57.07051	0.4
57.98783	0.4
58.99580	12.0
59.06112	0.3
59.94047	0.3
60.04522	0.4
62.13113	0.3
67.05508	0.4
67.32335	0.3
68.05036	0.6
69.07055	0.3
70.02943	1.9
70.06575	0.8
70.11301	0.3
71.23040	0.5
72.08154	0.5
76.02220	5.1
79.05486	10.3
84.04491	1.0
84.08135	1.4
86.00641	8.2
86.09695	0.7
86.70569	0.3
86.99044	8.2
88.03982	18.0
91.05470	4.9
93.07089	0.3
103.05465	1.1
104.01678	1.6
104.04967	0.5
104.05784	0.9
104.99386	0.6
105.00065	4.4
105.03365	0.5
105.07000	0.3
106.06543	79.1
107.04964	1.1
107.06888	0.9
114.00085	2.2
114.05528	0.9
117.05759	2.7
118.06527	7.3
120.08117	0.4
121.01079	11.6
123.02708	0.3
129.10225	0.7
130.06514	5.9
131.04861	0.8
131.07295	1.1
132.01134	8.4
132.05244	2.2
132.08080	0.5
134.05991	0.7
135.02644	0.3
137.04184	0.5
138.03700	0.6
140.45885	0.3
142.04951	1.4
146.05988	13.6
147.02657	1.7
148.02177	2.6
148.05124	0.6
149.02388	0.8
149.04222	0.4
149.05518	1.1
150.02654	1.0
160.00629	0.9
162.06357	0.4
164.05276	21.5
165.05592	0.3
173.02936	1.4
174.03728	10.4
178.01706	0.6
192.04761	2.1
192.06519	0.8
210.05818	100.0
211.06140	1.9
220.04222	2.5
220.06009	0.3
220.73340	0.3
238.05295	19.2
238.10651	0.9
238.22456	0.3
239.05977	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1846
Annotation	Sirenin
Peak:m/z	Relative Intensity
53.03926	1.2
55.01852	1.7
55.05502	5.6
56.96538	0.9
57.03416	1.7
57.07056	2.7
57.53683	0.7
57.59035	0.9
59.04998	0.8
67.05495	8.2
69.03403	3.1
69.07056	7.1
69.68764	5.6
70.06580	1.4
70.73121	0.7
71.04981	7.9
72.08139	2.1
73.02885	0.8
75.52365	0.7
79.05480	10.9
81.03416	1.0
81.07047	19.3
83.04968	6.0
83.08600	2.3
84.04490	0.8
84.08122	1.8
85.02882	1.2
85.06525	1.5
91.05473	8.5
93.07037	22.9
95.04958	6.4
95.08595	11.1
97.06520	6.4
97.10154	1.5
98.20834	1.7
98.97596	1.1
99.08083	4.7
105.07011	17.6
107.04926	1.6
107.08583	32.8
108.08916	0.9
109.02843	1.0
109.06496	5.3
109.10149	14.3
111.08067	3.3
116.98627	1.3
117.06965	3.6
119.08573	9.2
120.08098	2.3
121.06481	3.0
121.10133	10.0
123.08064	4.1
123.11678	5.3
124.68845	0.8
125.05990	0.8
125.09589	3.9
127.07525	0.8
127.11145	2.4
129.07007	0.8
131.08574	4.1
133.10112	17.3
135.08046	5.1
135.11667	4.2
137.05939	1.1
137.09595	2.4
138.63464	0.7
139.11143	5.7
143.10753	0.7
145.10120	6.9
147.11691	5.4
149.09592	1.6
149.13271	3.7
151.11163	100.0
152.11531	1.0
153.12671	0.8
153.71710	0.8
157.10080	0.9
158.65651	0.8
158.99623	1.0
159.08008	1.1
159.11679	9.0
161.13223	3.0
163.03960	0.7
163.07516	1.2
163.11189	4.1
163.14809	2.9
165.12724	1.0
173.13242	2.9
175.14793	1.5
177.09059	1.1
177.12709	2.5
181.12117	0.8
191.07039	1.6
191.14325	1.1
191.17914	2.1
192.06477	1.2
201.16350	6.2
219.10062	1.0
219.13863	1.7
219.17410	13.9
237.07515	1.9
237.14853	2.4
237.18529	10.2
237.22169	3.0
238.17987	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1484
Annotation	(+)-Oxyglutinosone
Peak:m/z	Relative Intensity
53.03926	4.3
55.01873	15.2
55.05504	16.1
57.03428	2.7
57.07051	6.0
60.91952	1.6
65.03922	3.1
67.05504	26.4
69.03400	2.9
69.07061	36.2
70.68137	2.1
71.04983	12.2
71.13221	4.2
72.08162	2.2
77.04823	1.6
78.78363	1.6
79.05490	56.0
81.03391	3.5
81.07053	51.4
83.04974	20.6
83.08603	8.4
85.02918	2.3
85.06512	5.0
87.04449	2.1
91.05479	27.3
93.07044	46.2
95.04456	1.7
95.04969	16.1
95.08601	18.6
97.02882	2.2
97.06530	10.6
97.10114	2.2
99.08069	2.5
103.05429	4.7
105.06458	2.3
105.07022	21.5
107.04950	36.2
107.07927	2.5
107.08588	27.5
109.05846	2.0
109.06521	22.9
109.10132	5.9
111.04414	3.9
111.08034	6.8
113.05959	5.6
113.99863	1.7
115.05433	4.1
117.07020	21.8
118.06497	2.0
119.08575	18.7
121.06506	41.4
121.10115	12.1
123.08069	20.0
123.11667	3.8
125.05979	3.8
125.09591	4.9
129.06963	3.9
131.04872	3.1
131.08562	22.3
133.06500	4.2
133.10068	8.0
133.16531	1.8
135.04442	11.1
135.08040	36.7
135.11632	6.2
137.05943	6.1
137.09613	4.1
139.07487	6.1
143.08502	3.2
145.06444	6.4
145.10101	10.9
147.07996	5.0
147.11647	2.9
149.02333	9.6
149.03314	1.8
149.05901	6.3
149.09573	10.9
149.13208	7.6
151.07529	14.5
153.05449	3.0
153.09084	4.7
155.08449	3.1
157.10078	7.2
159.08012	6.3
159.11661	21.6
161.09541	4.7
161.13251	2.2
163.06435	1.8
163.07552	21.1
163.11113	4.8
163.14790	2.5
167.07050	2.1
167.08548	2.5
169.08571	4.5
173.09583	2.4
173.13266	16.5
175.11145	3.6
177.09038	6.4
177.12733	14.4
179.10640	3.5
181.08542	17.5
181.10057	3.1
183.11665	15.3
191.14308	15.1
192.06487	3.4
193.04900	6.5
193.10103	3.9
193.12117	2.2
195.10100	3.9
195.11700	4.4
201.12729	21.4
201.16409	2.0
207.11653	3.8
219.13802	40.6
219.17178	2.0
222.14024	2.7
237.07550	14.6
237.14764	100.0
237.21983	9.6
238.17970	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	237.112
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28592	0.8
57.03439	5.8
70.81355	2.6
75.04466	0.9
79.05488	1.7
81.07049	1.1
84.08108	0.9
86.09676	1.0
88.36102	0.8
91.02454	0.8
91.05470	1.7
91.47808	1.0
91.93961	1.0
93.07048	1.2
99.45673	0.8
102.04642	4.3
103.05462	57.5
104.05809	1.1
105.07012	3.4
106.06572	2.8
110.32302	0.9
115.05450	2.0
121.06542	1.3
130.04135	10.7
131.04921	100.0
132.05244	1.4
133.06471	3.4
145.06488	1.0
147.04387	1.9
148.05182	64.1
149.05565	1.3
157.06555	0.8
160.05174	1.9
161.05986	9.0
162.06783	4.0
163.03897	2.4
163.07536	35.5
172.48723	0.9
175.07489	2.5
178.39589	0.8
192.06583	1.5
204.07732	1.0
210.05803	2.9
237.07623	1.1
237.14793	1.2
237.22159	1.3
244.63048	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.123
Annotation	3061-90-3
Peak:m/z	Relative Intensity
53.03935	0.7
55.01857	2.3
55.05490	2.4
56.05018	2.1
57.03413	1.4
57.07058	1.8
58.06599	0.7
59.83548	0.6
65.03929	1.1
67.05499	2.9
68.05011	1.0
69.03421	1.5
69.07054	3.3
70.06579	3.8
70.63114	0.7
71.04987	1.3
71.08634	0.8
71.71622	0.7
72.08147	3.5
77.32491	0.6
79.05501	3.1
81.03413	0.7
81.07053	4.2
83.04980	1.7
83.08604	1.7
84.04494	30.6
84.08127	4.2
85.02882	1.4
85.06514	0.7
86.06030	1.5
86.09684	2.9
87.04451	0.8
88.03992	0.6
91.05469	100.0
92.05804	1.2
93.07017	3.8
95.04967	2.5
95.06123	0.7
95.08597	3.6
97.06523	2.4
97.10179	0.6
102.05542	1.1
103.05458	4.2
105.07002	3.1
107.04930	1.8
107.08581	2.9
108.08109	19.5
109.06492	2.0
109.10187	1.7
111.04432	0.9
111.08109	0.7
112.07581	0.8
116.07067	0.8
117.07012	1.0
119.04965	0.7
119.08582	1.7
120.08086	3.5
121.02831	0.9
121.06496	1.6
121.10156	1.5
123.08023	1.1
125.02366	0.8
125.06004	0.9
125.09628	1.1
129.10223	2.2
130.04971	3.7
130.06479	0.9
131.04893	5.3
131.08556	1.3
133.06490	1.7
133.10097	1.0
134.10493	0.7
135.04411	1.1
135.08049	1.5
135.11658	1.4
137.05971	1.5
137.09676	0.6
139.11093	1.0
145.06427	1.5
145.10056	0.8
146.06020	1.8
147.04335	0.9
148.05177	2.0
149.02252	1.1
149.05983	2.0
149.10725	1.1
149.13237	0.8
151.11171	1.4
153.05527	1.1
159.11682	0.7
161.06030	1.4
163.03903	1.6
163.07512	5.9
163.11226	0.8
163.14799	0.9
164.13087	1.1
166.08643	1.7
169.89392	0.6
173.09674	0.6
173.13196	0.7
174.05478	0.7
175.07480	0.8
177.05475	2.6
189.05458	1.1
191.06984	1.6
191.11848	4.0
192.06578	1.1
193.04907	0.6
193.08624	2.4
197.08919	0.6
219.06473	1.5
219.10056	0.8
219.13683	0.9
220.09662	15.1
237.03954	0.9
237.07306	3.1
237.12320	4.2
237.14827	2.0
237.18500	0.8
237.22133	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	237.1116
Annotation	Carboxyibuprofen
Peak:m/z	Relative Intensity
53.03951	0.5
55.01882	0.9
55.05508	0.8
57.03433	1.0
57.07076	0.3
59.67853	0.2
65.03954	0.7
65.98968	0.3
67.01869	0.5
67.05508	1.0
69.03429	0.9
69.07069	0.3
70.06601	0.4
70.21513	1.2
71.04993	0.7
79.05481	2.1
80.36277	0.3
81.03419	0.6
81.07050	2.9
83.01336	11.4
83.04975	1.0
85.02917	0.8
91.05466	3.5
93.07030	3.2
95.04985	1.0
95.08596	2.8
97.06525	0.4
103.05473	0.7
105.07014	3.6
107.04972	0.6
107.08588	2.6
109.02888	0.4
109.06509	3.8
111.04495	0.6
113.10942	0.3
115.05441	0.5
117.07013	2.0
119.04924	0.7
119.08603	0.8
121.02886	1.0
121.06498	5.0
121.10154	1.4
123.04428	0.5
123.08059	0.7
127.03915	0.9
129.07008	1.0
130.07788	1.7
131.04944	0.5
131.08536	1.3
133.06544	0.4
133.10144	0.4
135.04381	0.4
135.08035	6.1
135.11703	0.9
137.05978	1.1
139.03893	2.8
143.08592	0.4
145.06479	0.7
145.10110	5.9
147.08040	0.5
148.05223	0.3
148.08800	0.5
149.05962	4.9
149.07034	0.4
149.09604	2.7
152.69366	0.3
153.05493	0.9
153.06860	0.3
155.08533	1.8
158.07240	2.0
159.04414	0.4
159.08093	0.9
161.05969	2.3
162.06749	1.4
163.07541	3.9
163.11179	1.8
165.05482	2.6
169.08792	0.3
173.09604	5.0
175.03880	0.3
175.07506	1.0
176.04738	0.6
176.08308	2.6
177.05464	32.3
177.09084	22.5
178.05826	0.8
178.09485	0.4
179.03377	0.5
181.04930	2.3
181.08604	0.8
183.08041	0.4
186.06673	0.3
189.05441	1.6
190.06253	0.6
191.10654	5.1
192.06502	0.4
195.06540	1.1
201.09093	6.4
203.07027	1.3
204.07799	12.3
219.10147	100.0
220.10440	1.9
237.11191	65.0
238.11598	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1118
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03416	3.6
60.30166	1.0
70.93204	0.9
70.93562	2.8
84.08172	1.0
93.07018	1.0
99.15073	0.9
102.04671	5.5
103.05454	58.5
105.07039	2.2
107.04916	1.0
107.08603	0.9
115.05447	2.1
116.07539	0.8
117.06997	1.6
129.33336	0.9
130.04128	10.9
131.04913	100.0
132.05283	1.5
133.06483	3.3
147.04379	1.9
148.05171	66.5
149.05562	1.3
160.05229	2.3
161.05966	8.3
162.06744	4.8
163.07527	34.6
163.08885	2.0
175.07541	1.6
201.09155	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.0869
Annotation	Formylkynurenine
Peak:m/z	Relative Intensity
50.66505	0.3
53.60712	0.2
55.05502	0.9
56.05014	1.1
56.96560	2.8
57.03420	0.8
57.07055	0.3
57.49917	0.2
60.04525	0.6
60.05624	0.3
67.05491	0.7
69.03414	0.7
69.07052	0.8
70.06586	4.2
70.31001	0.9
71.04977	0.7
72.08147	4.0
72.72546	0.3
73.02905	0.6
74.02439	5.6
74.06053	0.3
76.96678	0.2
79.05489	0.6
81.03421	0.5
81.04510	1.2
81.07040	0.8
83.04967	0.8
83.06129	0.3
84.04491	1.1
84.08135	3.5
85.02890	1.3
86.09704	1.2
91.05471	1.1
93.07040	0.9
94.06551	0.4
95.04971	0.5
95.06089	0.5
95.08603	0.5
97.02882	0.7
98.05987	0.2
98.97574	1.0
99.08077	0.3
103.05476	0.3
105.07011	0.4
105.36090	0.2
107.04938	0.4
107.08567	0.4
109.02838	0.4
109.06571	0.3
109.10164	0.4
110.07143	1.0
110.61572	0.3
112.08746	0.3
116.07072	0.6
116.98611	0.9
118.06539	1.8
119.01886	0.6
120.08083	0.8
120.98051	0.3
121.06498	0.3
121.10078	0.4
122.07146	1.1
123.04400	0.5
124.08713	1.5
128.04959	3.4
128.98526	0.4
129.10205	1.3
130.06522	0.9
131.04915	0.4
132.04446	1.0
133.59143	0.3
134.06099	0.4
134.99605	0.5
136.07567	0.4
137.05952	0.6
146.05998	100.0
146.99629	0.5
147.04416	0.5
147.06358	1.4
147.11256	0.4
148.02853	0.3
148.03929	1.4
148.07657	0.3
149.01190	0.7
149.13278	0.4
150.07765	0.5
154.02493	0.4
158.06046	0.6
158.99651	0.3
164.07132	0.3
172.95274	0.6
173.07074	1.0
174.05504	1.0
174.98529	0.4
175.11859	0.4
177.00687	0.4
180.02939	0.4
188.06067	0.2
190.96281	0.6
191.08200	1.7
192.06599	0.6
211.04678	0.8
214.96283	0.3
219.07669	2.2
220.06030	0.4
232.04958	0.7
232.97409	0.3
237.02834	1.1
237.06392	0.3
237.08737	4.6
237.13528	2.3
237.18239	0.3
237.22121	0.8
255.03745	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1115
Annotation	Carboxyibuprofen
Peak:m/z	Relative Intensity
50.83495	0.3
53.03952	0.3
55.01868	0.5
55.05511	0.7
57.03431	6.3
60.92977	0.2
65.03937	0.3
67.05506	0.5
69.03431	1.2
69.45594	0.3
69.93936	1.7
71.05003	0.4
79.05492	1.7
79.84641	0.2
81.07043	1.9
81.20027	0.2
83.01331	11.0
83.04977	0.5
85.02899	0.9
91.05473	3.5
93.07028	2.9
95.04948	1.0
95.08604	1.0
101.50325	0.3
103.05451	0.3
105.07016	3.0
107.04983	0.5
107.08568	2.6
109.02852	0.5
109.06505	2.1
111.04418	0.7
115.05444	0.8
116.06220	0.7
117.07010	2.3
119.04946	0.4
119.08568	0.6
121.06482	2.5
121.09372	0.3
121.10106	1.4
123.04403	0.4
123.08055	0.3
127.03948	0.4
128.06248	0.3
129.06998	0.9
130.07765	1.6
131.08563	2.1
133.06490	1.1
134.07231	0.3
135.08040	6.3
135.11707	1.0
137.06007	0.6
139.03883	2.2
144.05731	0.4
145.06468	0.6
145.10109	4.7
147.04411	0.4
147.08081	0.7
148.08879	0.4
149.05948	2.8
149.09622	3.4
153.05428	0.8
153.06969	0.5
155.08524	1.4
158.07260	1.6
159.08011	0.7
161.05966	3.9
162.06744	3.8
163.07533	6.9
163.11159	3.2
165.05437	2.2
173.09604	6.1
175.07513	1.0
176.08313	3.8
177.05647	1.6
177.09087	17.7
181.08611	0.5
183.08031	0.3
186.06728	0.4
189.05560	0.4
190.06244	1.7
191.07028	0.6
191.10649	9.8
195.10303	0.3
201.09082	6.5
204.07825	3.1
219.10143	100.0
220.10513	2.0
237.11191	27.9
238.11488	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	236.1279
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01592	0.1
55.05499	0.5
57.03424	0.1
57.07061	0.2
58.07405	0.1
65.03939	0.4
66.49587	0.1
69.42357	0.3
69.42756	1.2
70.06588	0.6
72.08147	9.7
73.06539	0.5
73.38496	0.1
73.99127	0.1
84.08131	0.4
86.09685	0.3
90.09186	3.4
91.05472	6.9
95.04978	0.2
102.04647	0.2
103.05464	1.9
105.07024	0.2
110.01502	0.1
110.22084	0.1
119.04931	21.7
120.05241	0.3
120.08064	0.3
121.06528	0.2
129.10155	0.2
130.04132	0.3
131.04915	3.2
133.06441	0.2
134.05992	0.2
147.04391	100.0
148.05197	2.2
149.00531	0.1
152.75444	0.1
155.87764	0.1
156.81320	0.1
161.05975	0.3
162.06647	0.2
163.07550	1.1
163.54791	0.1
165.00056	0.2
192.06453	0.2
192.99544	0.4
218.12186	0.1
224.76419	0.1
236.09253	0.1
236.12807	1.3
236.17279	0.9
237.85538	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	236.9771
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50983	11.0
56.05020	13.1
56.96552	17.3
58.44124	11.4
58.71972	10.5
69.03398	14.9
70.06580	39.8
72.08158	27.0
78.95634	33.1
81.04542	18.5
84.04481	18.4
85.02922	20.3
97.02876	15.3
98.21494	28.3
104.97177	72.9
120.96587	13.2
122.07145	13.4
124.08701	24.4
131.00182	20.2
132.96608	30.5
140.03169	30.4
146.06000	26.8
147.03078	20.5
149.01207	26.8
156.03621	69.1
167.54417	18.8
176.95598	100.0
236.97765	53.1
237.08597	30.9
237.13408	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	237.0867
Annotation	Formylkynurenine
Peak:m/z	Relative Intensity
55.05500	1.1
57.07055	0.6
61.87144	0.5
67.05495	1.0
69.07051	0.7
70.06577	0.8
71.08641	0.5
71.73259	0.9
72.08126	0.5
74.02433	3.1
74.11287	0.5
75.03201	0.6
79.05482	1.2
80.04993	0.8
81.07043	0.8
83.04965	0.6
84.08150	1.2
87.15504	0.4
91.05479	2.2
92.05034	0.7
93.07021	1.1
94.06554	1.7
95.04935	0.6
95.08590	0.9
103.05471	0.9
104.05024	0.6
105.21597	0.5
107.04882	0.6
108.04448	1.3
110.06023	1.7
116.07009	0.5
116.25198	0.5
117.05783	0.5
118.06538	7.4
120.04456	2.1
120.08095	7.5
121.10103	0.6
122.06025	0.9
128.04935	5.6
130.06516	12.6
131.04968	0.8
131.05981	0.5
131.07251	1.1
132.04453	1.8
133.05197	1.6
135.11783	0.4
136.07568	4.0
145.07600	1.7
146.05992	100.0
147.06375	1.4
148.03920	13.4
149.10660	0.5
150.05533	1.0
155.05971	0.4
156.04333	0.8
157.07590	10.2
158.05952	0.6
159.09186	2.1
163.08633	0.9
164.07063	2.2
166.08597	5.3
173.07085	4.5
174.05490	13.1
174.07758	0.6
176.07051	0.7
178.05003	1.8
191.08148	18.3
192.06554	1.8
202.05025	1.3
203.08121	6.8
204.08788	0.8
209.09135	0.6
219.07532	1.0
220.06099	4.1
220.08223	0.8
237.08728	7.5
237.12408	1.1
237.16228	0.5
237.22142	1.2
256.89902	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.0867
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	0.7
57.07046	0.6
65.03938	0.6
65.59130	0.5
67.05499	0.7
68.05009	0.7
68.48855	0.5
69.07043	1.3
69.44589	5.8
70.06561	0.9
72.08116	0.6
74.02441	3.0
75.03253	0.6
79.05475	1.0
79.89600	0.5
80.05012	1.3
81.07066	1.0
83.04980	1.1
83.08635	0.7
84.04488	1.2
84.08125	1.8
86.09680	1.0
91.05463	2.2
92.04977	0.6
93.07026	1.1
94.06545	2.3
95.08591	1.3
103.05464	1.2
104.04993	0.6
107.08575	0.7
108.04456	0.9
110.06007	1.4
118.06529	8.4
119.06075	0.5
120.04440	2.2
120.08094	13.9
122.06052	0.8
128.04962	5.6
130.06516	11.4
131.04903	1.7
131.07300	0.9
132.04413	1.6
132.06702	0.6
132.77899	0.5
133.05215	1.7
136.07541	4.1
142.05055	0.8
144.08043	0.6
145.07582	0.8
146.05994	100.0
147.06372	1.8
148.03922	14.1
148.05037	1.1
148.07504	0.9
150.05527	1.6
156.04433	0.7
157.07603	9.4
158.06026	0.7
159.09132	1.2
163.05862	0.9
163.08704	0.8
164.07069	2.4
166.08621	8.4
173.07115	4.2
174.05496	13.4
175.08794	0.8
176.07051	0.9
178.04976	2.0
185.07089	0.8
191.08142	18.9
192.06514	6.1
201.06580	0.8
202.05045	1.5
203.08121	6.9
204.08946	0.9
214.33798	0.6
219.07649	1.2
219.21045	0.7
220.06070	4.8
220.07962	0.9
237.08691	10.0
237.12315	0.6
237.22191	1.5
257.51157	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.0868
Annotation	Formylkynurenine
Peak:m/z	Relative Intensity
55.01868	2.4
55.05504	5.0
56.05032	2.5
56.96561	2.3
57.07080	3.8
60.79946	1.7
61.15716	1.6
67.05491	4.3
69.03419	3.1
69.07074	8.9
69.07374	1.5
70.06583	13.8
71.04975	2.9
71.08592	1.6
71.71528	2.3
72.08145	8.2
72.93772	1.5
74.02441	7.7
79.05481	4.8
81.03390	3.0
81.07047	8.5
83.04970	3.6
83.08611	2.4
84.04490	5.5
84.08122	11.1
85.06516	2.7
86.09687	4.7
91.05471	7.5
93.07018	7.4
94.06561	34.5
95.04965	4.8
95.08602	6.6
97.02930	1.4
97.06509	2.4
99.00821	11.3
102.57568	1.3
103.05447	5.2
104.04975	6.7
105.03395	2.1
105.07015	3.4
107.08589	3.9
109.06470	2.1
109.10172	4.2
110.07129	2.0
111.08072	2.0
113.09636	1.4
118.06530	43.8
119.04964	1.9
119.08662	1.9
120.04456	18.4
120.08094	56.3
121.06465	1.5
121.10115	3.8
122.06004	2.4
123.04457	1.8
125.09619	3.0
128.04970	2.4
129.10239	2.8
130.06570	2.6
131.04903	4.4
132.04437	11.7
135.04424	2.3
135.08023	2.2
135.11638	2.9
136.07565	61.2
137.05946	2.2
146.05992	100.0
147.06360	2.1
148.03947	7.7
148.04982	2.1
149.06029	2.4
149.13187	2.8
150.05487	14.6
156.04485	2.8
158.05904	1.7
163.03903	2.8
163.07567	5.5
163.08740	2.6
164.07051	15.7
173.09509	1.8
174.05489	54.6
191.06781	1.8
191.08189	5.2
191.14249	1.7
192.06532	49.8
202.04958	14.6
219.06541	2.0
219.21242	2.1
220.06023	16.4
237.04005	1.8
237.07607	5.0
237.08800	5.6
237.12596	3.4
237.14821	3.3
237.18558	3.6
237.22105	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	234.1598
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05469	1.3
57.07033	0.9
67.05462	1.1
69.07063	3.1
70.06590	3.9
70.23020	2.4
71.06065	1.0
72.08100	1.2
75.98441	0.5
79.05432	1.0
81.04534	3.1
81.06996	1.7
82.05289	0.5
82.06490	0.5
84.06847	0.8
84.08095	1.1
87.07928	0.6
91.05423	1.9
91.11753	0.4
93.06964	1.5
95.08550	1.0
97.07603	1.5
98.09624	1.3
104.08385	1.0
105.06966	1.5
107.06042	1.0
107.08549	0.6
108.07991	0.5
112.08722	1.0
114.10216	1.5
117.06994	0.9
119.08522	1.1
120.08056	0.7
122.07089	0.9
122.09591	1.1
123.07924	7.0
125.10693	1.0
133.06351	0.9
133.10074	0.6
134.07126	52.8
135.07442	0.7
144.08034	1.0
146.07158	2.9
146.78137	0.6
147.07910	8.7
148.08661	1.9
150.63789	0.5
151.13550	0.9
158.64076	0.7
160.08701	4.5
161.09450	1.3
161.10719	0.7
162.10229	2.8
163.11011	2.2
164.07037	0.7
172.08669	4.3
173.09496	8.2
174.10182	2.2
176.08072	1.0
176.11850	0.6
179.10706	0.8
181.15178	4.7
186.10280	5.7
187.11034	7.8
188.11694	0.8
190.09714	2.0
200.11823	1.0
202.13374	100.0
203.14574	3.9
204.11310	0.9
204.14957	0.8
212.15225	0.7
225.16006	1.2
226.67377	0.6
234.16010	99.6
235.16664	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	235.0711
Annotation	Unknow
Peak:m/z	Relative Intensity
53.34498	1.4
53.51756	1.6
55.01868	2.2
55.05488	6.7
55.19304	1.5
56.05021	3.7
56.96550	14.0
57.03444	2.5
57.06799	2.6
57.07067	46.3
58.06608	2.3
61.27821	1.6
65.03921	5.7
67.05484	6.5
69.03403	4.9
69.07043	4.0
70.02930	1.5
70.06582	16.4
70.54375	2.5
70.54797	5.0
71.01370	1.7
71.04958	2.8
72.08151	10.5
72.93764	3.6
73.06509	2.5
73.08469	2.2
74.06069	2.5
79.05489	4.0
80.04980	1.9
81.03400	4.4
81.07037	6.6
83.06087	3.3
84.04476	4.1
84.08128	13.6
85.02886	6.2
85.06538	2.4
85.08445	1.7
86.09705	3.2
87.04485	1.7
88.07595	2.0
89.03912	2.1
90.94814	2.1
91.05466	12.7
92.04998	9.6
93.04494	2.4
93.07015	5.4
94.06513	1.7
95.04929	6.4
95.06093	2.6
95.08581	5.9
97.02855	3.8
98.20955	3.0
98.97562	8.3
103.05440	2.6
104.04966	2.1
105.07013	5.7
106.06557	8.7
107.04940	3.5
107.08570	4.3
109.02834	2.3
109.06495	2.5
109.10125	3.8
110.06009	5.3
110.07159	16.5
111.04437	4.4
115.05426	6.0
116.04966	11.4
116.98607	6.0
117.05742	6.7
118.06525	9.2
119.04869	1.9
119.05083	2.1
119.06049	31.0
119.08559	5.4
120.04448	18.9
120.08082	2.8
121.10161	2.9
123.04417	6.2
127.03956	1.9
128.04947	5.7
129.06990	1.9
130.06520	2.1
130.08600	2.0
131.00189	1.7
131.08545	1.9
132.04404	6.6
132.95818	5.1
133.05269	1.7
133.06595	2.2
133.07584	9.0
133.10118	3.0
134.06006	12.8
134.99620	3.1
135.08054	1.8
136.07524	3.2
137.09621	2.2
143.04900	6.0
143.06018	22.7
144.04454	8.6
144.06816	2.7
144.07990	2.8
145.05171	4.0
145.06488	2.3
145.07561	26.1
145.10120	1.8
146.05992	33.1
146.97368	1.7
147.04370	7.2
147.05511	17.3
147.08304	2.3
147.11623	2.8
148.03912	11.5
149.01154	2.5
150.96869	4.7
153.00613	1.6
155.04788	3.0
155.06020	22.3
156.06784	16.7
158.97395	1.8
159.11693	3.2
161.04707	2.9
161.05911	7.5
161.07072	27.0
161.09534	1.7
162.05479	37.2
162.96872	2.2
163.05000	2.2
166.06219	1.8
171.04248	2.4
171.05536	25.8
171.09235	1.8
172.03951	10.8
172.06285	4.9
173.07097	37.3
174.96841	3.5
175.03847	3.6
175.07506	3.2
175.14803	2.0
177.00780	1.5
179.10654	28.2
186.96968	2.2
187.02757	1.6
188.92398	3.2
189.05374	4.6
189.06728	22.8
189.16364	3.0
190.04999	7.6
199.04984	24.9
202.07301	4.3
206.98128	1.7
211.04819	1.8
211.94098	4.0
217.06075	90.1
217.15749	2.4
217.19354	3.6
218.04556	2.3
218.06660	5.3
218.10080	2.0
234.99040	9.8
235.07208	46.7
235.11894	9.5
235.16896	100.0
235.20702	4.0
237.02933	2.1
243.99641	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	234.1153
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31832	0.5
53.03904	0.7
55.01866	0.7
55.05501	10.7
56.96564	0.8
57.07069	18.2
58.99570	1.3
65.03940	0.8
67.05499	1.5
69.03425	0.8
69.07038	0.9
69.48775	6.2
70.06578	2.4
71.04987	0.7
72.08154	1.7
79.05488	1.8
81.03385	0.7
81.07043	1.5
84.04499	0.8
84.08116	3.6
85.01132	1.1
86.00661	0.8
86.03563	0.8
87.08095	100.0
88.04025	0.6
88.07616	1.4
91.05456	1.4
93.07040	2.1
94.07349	0.6
95.04954	1.1
95.08579	0.9
97.06496	0.9
98.09641	0.8
98.20872	2.1
98.97607	1.0
102.03755	1.0
105.07024	1.5
107.08584	1.4
109.06456	0.8
112.11223	0.8
115.05451	1.0
117.07018	0.7
118.08556	0.6
119.08571	1.5
120.08143	1.6
121.06479	1.4
121.10167	1.4
130.08597	0.9
131.01631	2.0
131.08597	0.9
132.01128	3.1
133.10109	1.6
136.06166	2.2
145.10095	1.4
147.11642	1.1
148.04260	10.0
149.09596	1.1
159.04730	1.2
159.11647	0.7
160.12025	0.7
161.09610	0.7
170.06024	3.4
174.05423	0.9
174.96747	0.7
175.11256	0.8
179.10695	1.3
181.37904	0.5
198.05463	5.1
202.08936	6.0
216.06488	3.6
216.12416	1.6
216.14532	1.0
234.07677	2.4
234.11382	6.6
234.13298	1.3
234.15363	2.0
234.18425	1.3
235.09763	0.7
235.16925	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	234.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26739	0.2
55.05508	1.1
56.05035	1.3
57.03432	1.9
57.07055	0.3
61.01120	0.5
63.97250	0.2
67.05492	0.3
69.07062	0.3
70.06583	0.8
70.42148	0.3
70.46948	1.0
72.08147	0.7
76.11351	0.3
79.05494	1.6
81.07047	5.1
84.04429	0.3
84.08140	1.0
86.09676	0.4
88.07645	0.2
90.03786	0.7
91.05470	0.5
94.04035	1.6
99.08098	0.3
100.50510	0.3
102.05560	0.3
104.10744	0.3
105.06980	0.5
118.03162	0.3
119.03543	2.5
119.08549	0.3
120.08086	0.6
125.10802	0.3
128.07059	0.4
131.08632	0.3
135.07999	0.3
136.06174	100.0
137.04591	2.9
137.06519	0.8
144.08356	0.3
188.46284	0.2
190.08969	1.0
190.10875	1.2
216.10487	0.6
216.12427	0.6
234.13478	61.4
235.13805	1.1
235.16843	0.7
250.39101	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	234.16
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60010	0.3
55.05478	0.3
57.07069	0.5
67.05510	0.5
69.07055	2.8
69.64420	0.9
69.64839	1.2
70.06564	0.4
74.38548	0.3
76.28878	0.3
79.05471	0.4
81.04536	2.0
81.07026	0.4
84.08131	0.4
85.96587	0.2
89.88696	0.3
91.05460	0.5
98.21378	0.6
105.07021	1.4
107.06060	1.0
107.08607	0.3
118.06541	0.4
119.08508	0.4
120.08102	0.4
123.07932	6.6
131.06061	0.3
134.07126	46.4
135.07405	0.4
136.06216	0.3
144.08069	0.7
145.07593	0.4
145.10077	0.4
146.07127	2.9
147.07906	7.5
148.08632	0.8
160.08708	3.7
161.09457	0.7
161.10735	0.6
162.10284	2.0
163.11021	1.4
172.08688	4.0
173.09465	7.3
173.10921	0.4
174.10233	1.7
176.08153	0.7
176.11823	0.5
186.10271	4.2
187.11026	5.4
188.11734	0.5
190.09700	1.1
200.11807	1.2
201.12524	0.5
202.13376	100.0
203.13724	2.0
204.11263	0.9
204.15042	0.4
208.55391	0.3
217.12341	0.3
219.06131	0.4
234.15993	82.7
235.16418	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	233.1534
Annotation	6,7-Dehydroartemisinic acid
Peak:m/z	Relative Intensity
53.03942	2.3
55.05502	5.5
57.07062	1.8
66.19787	1.0
67.05494	11.7
69.03426	1.6
69.07061	6.1
70.79419	3.7
79.05489	12.9
81.07046	28.5
83.04966	1.9
83.08622	3.2
91.05462	20.5
93.07032	21.9
95.04943	2.8
95.08599	21.0
96.55541	1.3
97.06524	1.4
97.10161	1.5
98.20633	1.0
105.06324	2.1
105.07018	35.6
107.02906	1.1
107.04900	2.4
107.08587	17.0
109.06522	1.7
109.09499	1.1
109.10119	7.0
111.08060	1.6
115.05443	2.0
117.07009	11.4
119.04919	1.4
119.08575	18.9
121.06470	3.5
121.10152	6.5
123.04411	1.3
125.05965	3.0
128.06230	1.7
129.07010	2.4
130.07797	1.9
131.08551	36.1
133.06497	2.3
133.10097	12.6
135.04395	1.8
135.08020	2.4
135.11609	2.9
137.05928	3.6
139.07520	2.3
143.08557	3.5
144.09300	1.3
145.06439	2.7
145.08987	2.1
145.10112	37.1
147.08044	2.1
147.11696	9.2
149.05966	3.0
149.13193	1.4
151.07544	2.7
151.88481	1.2
155.08511	2.9
157.10147	2.2
159.08084	6.0
159.11671	22.1
161.13239	12.4
163.07494	2.4
169.10123	2.1
171.11636	1.7
173.09576	4.8
173.13306	1.9
177.05432	3.3
177.09079	8.1
178.06256	2.9
182.10872	2.0
185.13249	1.8
187.11224	4.4
187.14807	100.0
188.15082	1.8
189.16313	1.6
191.07060	1.1
191.10707	2.8
197.13226	7.8
205.12115	1.4
205.15881	4.4
215.11050	1.4
215.14296	26.2
233.08067	1.7
233.11755	4.8
233.15332	51.8
233.19054	4.0
234.15622	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1535
Annotation	CHEBI:69963
Peak:m/z	Relative Intensity
51.15720	1.9
53.03937	2.5
55.01840	4.3
55.05505	15.1
57.07056	9.4
65.03941	2.4
67.05506	18.9
69.03410	9.5
69.07064	14.1
70.06577	4.1
70.31829	4.8
70.32220	6.4
71.04973	4.3
75.07630	2.4
79.05476	23.9
81.03375	2.7
81.07043	24.9
83.08589	12.4
85.06502	2.8
86.09679	2.6
91.05470	37.7
93.06498	3.2
93.07033	40.3
95.04977	10.8
95.08598	40.4
97.02887	3.4
97.06543	4.2
98.21421	2.4
101.35709	2.1
105.07018	55.4
107.08586	41.9
109.06471	8.9
109.10138	17.3
111.04436	15.5
111.08073	5.8
113.05971	3.9
115.05437	5.9
116.06208	4.4
117.07006	18.1
119.08563	57.1
120.08096	4.6
120.84246	2.1
121.06518	13.3
121.10128	44.4
123.08054	5.0
123.11658	4.5
125.05962	6.0
128.06163	2.7
129.06998	8.7
130.07758	8.5
131.04875	2.6
131.08554	42.4
133.06508	4.9
133.10118	72.9
134.10867	6.2
135.08011	8.2
135.11702	13.8
137.05948	4.6
137.09615	3.1
139.07474	4.8
141.07022	2.9
142.07707	2.6
143.08536	13.4
144.05722	5.3
144.09305	5.7
145.06444	15.1
145.08952	4.8
145.10107	87.4
147.08031	8.7
147.11649	17.5
149.05972	10.6
149.09576	5.7
151.07513	2.8
155.08569	4.0
157.10089	11.3
158.07227	5.0
158.10863	9.4
159.08049	29.1
159.11674	34.1
161.09538	3.7
161.13298	4.5
163.07510	20.1
163.11218	3.4
171.11626	5.8
172.05193	17.4
172.12433	11.4
173.05991	3.1
173.09615	32.8
173.13228	26.3
175.03934	3.5
175.11189	4.3
177.09062	15.4
182.10921	3.3
185.09593	3.5
186.10422	7.7
187.07498	3.6
187.11197	9.8
187.14803	97.3
189.16389	5.3
190.06339	2.9
191.10638	8.4
197.13239	12.4
200.11943	3.3
203.07022	2.6
205.06686	3.9
205.08598	8.5
205.15804	7.1
215.07030	2.6
215.14301	59.4
218.05797	4.9
230.34738	2.1
233.07970	31.4
233.11761	4.0
233.15347	100.0
233.18938	4.8
234.15503	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	233.1494
Annotation	H-Thr-Leu-OH
Peak:m/z	Relative Intensity
53.03937	0.6
55.05497	0.6
56.05029	15.5
56.96549	0.8
57.03434	2.7
57.07054	0.5
58.06596	2.6
60.04520	0.5
61.12975	0.4
70.06582	1.6
70.46179	1.5
70.80086	0.4
71.06928	0.5
72.08147	4.2
74.06071	100.0
75.04472	0.4
75.05533	0.3
79.05495	0.5
81.03400	0.7
81.07045	0.5
84.04504	3.9
84.08128	2.2
86.09696	22.0
87.09996	0.4
91.05487	0.7
91.44090	0.4
93.07061	0.7
98.20783	0.6
98.21349	0.5
101.07139	2.2
104.10738	0.9
105.07048	0.6
107.04934	0.6
109.28107	0.4
116.07074	0.8
117.06979	0.5
119.08591	0.5
121.10168	0.5
130.08611	0.6
131.08569	0.7
132.10187	17.5
134.08122	2.2
140.44502	0.4
142.12259	0.7
143.11807	0.7
145.06502	0.5
145.10068	0.6
152.05676	1.5
153.06021	1.7
169.13387	1.3
187.14392	10.6
208.99701	0.5
215.13844	3.5
233.08330	1.9
233.12413	0.6
233.14952	8.0
233.18953	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1533
Annotation	trans-Pentadec-10-en-6,8-diynoic acid
Peak:m/z	Relative Intensity
53.03936	2.4
55.01857	2.6
55.05505	9.8
57.03420	1.5
57.07063	1.0
65.03926	1.6
67.05497	19.5
69.07056	13.3
69.61301	6.2
69.61707	2.3
71.04963	4.3
73.06530	2.5
79.05485	36.1
80.83794	0.9
81.03397	1.8
81.07047	23.4
83.04961	2.5
83.08613	2.4
86.78724	0.9
91.05470	93.5
93.07033	20.2
95.04946	6.6
95.08597	10.7
97.06497	3.0
103.05473	7.3
105.07018	100.0
106.07323	1.1
107.04926	8.9
107.08574	10.1
107.50524	1.1
109.06505	2.9
109.10143	2.1
115.05457	2.1
117.06996	22.9
118.07774	1.1
119.08566	62.7
121.06503	6.4
121.10153	4.7
123.08048	2.0
123.11710	1.2
128.06273	1.4
129.07002	7.9
131.08549	43.8
133.06458	3.4
133.10115	14.8
135.08049	3.4
135.11661	1.6
141.06978	4.8
143.08507	3.4
145.06511	1.6
145.10118	13.7
147.08017	3.8
147.11665	2.5
149.09624	1.9
155.08537	4.6
159.08086	2.0
159.11661	5.5
169.10114	7.0
169.11409	1.3
171.11674	10.4
173.09735	1.4
173.13239	13.2
175.11179	1.0
182.10843	1.5
187.11127	2.8
187.14804	9.1
197.13228	9.6
204.87195	1.1
205.15910	1.3
215.14293	9.6
215.17767	1.3
233.15341	92.1
233.18643	4.7
234.15599	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.0629
Annotation	Unknow
Peak:m/z	Relative Intensity
62.26705	0.5
70.06569	1.1
70.83253	2.2
72.08144	3.1
74.06091	0.8
78.13966	0.6
83.94736	0.6
84.08128	0.7
86.09689	1.9
98.97572	0.9
101.00867	1.3
105.58989	0.6
116.98602	1.0
119.01897	2.6
133.03488	1.5
136.37134	0.6
143.01932	1.4
151.75410	0.6
160.74913	0.8
161.02904	2.8
173.03052	1.2
187.00822	0.6
191.03972	1.9
233.06306	100.0
234.06596	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1493
Annotation	Leu-Thr
Peak:m/z	Relative Intensity
55.05500	1.5
56.05032	1.8
56.96552	1.4
57.05800	0.5
58.06587	0.4
59.04991	0.4
69.03423	0.6
69.07062	8.5
69.59869	0.4
70.06582	1.6
72.07760	0.7
72.08150	13.5
74.02434	0.4
74.06078	2.9
76.02219	0.6
81.75031	0.4
83.06137	0.3
84.04501	6.5
84.08134	2.2
85.02883	0.6
86.06057	1.5
86.09698	100.0
87.04448	0.4
87.10029	1.1
88.03978	0.8
91.05473	0.3
98.06025	0.5
98.21288	0.4
102.05524	1.7
104.07108	2.0
115.87350	0.3
117.04007	0.5
119.01906	0.5
119.08548	0.3
120.06571	3.8
128.98615	0.4
129.06590	0.5
129.10242	0.6
129.34749	0.3
130.05002	5.8
135.05026	0.5
142.05022	0.3
144.06503	0.5
145.03481	0.5
147.07611	0.4
161.02954	1.0
163.04512	0.4
170.08098	0.8
189.00630	0.4
198.07727	0.5
208.99796	0.4
215.10507	0.3
215.13924	1.3
216.08679	0.9
233.11383	1.1
233.15053	2.1
234.07918	0.4
254.69421	0.3
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
50.99171	0.4
51.19966	0.3
56.05030	16.1
57.03431	2.7
58.06593	3.6
63.40959	0.3
66.98942	0.3
70.66778	0.6
71.72228	0.4
72.08168	0.4
72.96901	0.3
74.06070	100.0
74.09732	0.3
75.04464	0.9
75.06378	0.5
81.07056	0.4
84.04488	3.2
84.08161	0.4
86.06057	0.4
86.09696	22.8
87.32412	0.3
89.39640	0.3
98.09702	0.4
101.07130	2.1
102.96391	0.3
126.12862	0.5
132.10190	16.9
142.12234	0.7
143.11783	0.7
169.13382	1.3
184.93544	0.3
187.14392	10.5
215.13890	4.0
233.14949	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	232.0826
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	10.4
55.01865	1.6
55.05492	1.1
56.05014	2.9
56.96551	2.7
59.61957	0.7
60.04507	1.3
60.05639	1.3
63.37444	0.8
67.05481	2.4
68.05009	0.9
69.03413	1.8
69.45312	8.3
70.06216	1.6
70.06584	28.1
71.04973	2.4
72.04494	1.5
72.08135	3.1
74.02422	5.2
74.06078	4.8
79.05469	2.3
80.04991	1.1
81.03407	18.2
81.07037	1.4
83.04955	1.5
84.04485	2.6
84.08123	7.9
85.02895	2.2
85.06509	1.2
86.06062	1.2
86.09689	3.5
90.05551	0.8
91.05468	3.1
92.01673	2.6
94.06547	2.4
95.04947	4.3
95.08571	1.2
96.04466	1.1
97.02879	1.4
98.06044	1.2
98.97503	0.8
98.98441	0.7
100.05110	5.5
100.07591	1.6
105.07022	1.9
106.06510	2.2
106.07353	1.1
107.03716	0.8
107.04942	1.5
110.02749	9.1
110.03459	1.6
110.06043	1.9
110.07125	0.9
111.45691	0.8
112.07582	2.0
112.08732	1.2
115.05435	0.8
116.07075	2.0
122.05988	4.9
123.04407	4.9
124.05152	0.8
124.07610	1.0
126.05453	1.3
128.04546	1.5
129.10210	1.6
132.04433	1.0
134.02672	1.7
134.05971	3.4
135.02995	5.5
136.07567	0.9
142.08609	2.3
143.08214	1.5
144.08890	2.2
150.05475	3.6
152.05659	100.0
153.04060	15.0
154.51813	2.4
158.09229	1.1
158.10487	1.0
160.12111	0.9
168.06540	3.8
174.12756	1.4
175.11856	1.3
180.06363	0.8
186.07675	1.2
186.13606	4.2
187.14349	1.5
190.05258	5.9
196.06053	1.9
196.09674	1.1
204.08772	6.4
208.01134	0.9
214.07170	3.9
214.10684	5.2
214.12613	1.3
232.06479	1.5
232.08250	35.8
232.11765	14.4
232.14035	6.4
232.16780	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.1589
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.9
53.68645	1.0
53.79520	1.2
55.01852	3.8
55.05507	32.4
55.73687	1.0
57.03434	27.2
57.07061	4.5
59.05001	2.4
65.03911	1.1
65.80355	0.9
67.05497	16.8
68.05817	1.1
69.03423	11.0
69.07062	100.0
69.57126	7.0
69.57539	1.8
70.06566	1.6
71.04977	4.4
72.08144	3.8
73.06542	2.0
79.05485	20.3
81.03412	5.0
81.07049	28.4
83.04970	10.0
83.08607	3.5
84.08150	1.7
85.02896	4.1
85.06527	1.3
87.00800	1.8
87.04420	1.1
91.05477	13.7
93.07037	42.9
95.04986	2.3
95.08601	24.9
97.02885	2.1
97.06523	17.5
97.09579	1.5
97.10165	19.9
98.38037	1.0
99.04429	3.4
101.05988	3.0
103.05441	1.6
105.07008	13.1
107.04933	1.3
107.08572	3.0
107.52568	1.0
109.02878	1.9
109.06474	1.1
109.10125	3.5
109.56683	1.2
111.11722	6.1
115.05467	2.1
116.06184	1.3
117.07026	6.0
119.08578	7.7
121.06496	1.3
121.10135	31.3
126.73637	1.0
127.03854	1.6
128.06183	5.2
129.06985	9.7
130.07762	1.8
131.08543	10.4
133.10112	3.1
139.11160	24.6
141.06934	1.4
142.07745	5.3
143.08546	18.5
144.08130	1.3
144.09302	1.9
145.06490	1.2
145.10117	10.9
147.08020	3.1
147.11693	1.1
149.05978	1.1
149.42325	1.1
151.07602	1.5
155.08536	1.9
156.09364	3.2
157.06479	2.7
157.10136	14.1
157.12135	2.1
159.08020	1.1
159.11673	8.7
161.06003	1.3
161.09578	3.0
161.13261	1.1
165.06982	1.3
169.10153	1.3
170.10878	5.2
171.08047	3.1
171.11659	5.0
173.09641	1.1
175.07506	5.0
175.11143	1.7
180.09363	1.4
185.09549	1.7
185.13271	26.6
187.14810	2.0
189.09076	3.8
191.10489	1.0
195.11707	3.0
198.10359	1.2
203.06735	0.9
203.10529	1.2
203.14313	2.0
213.09303	1.3
213.12790	6.5
213.16345	2.5
231.06305	1.9
231.10202	1.1
231.13742	22.7
231.15903	44.1
232.11852	1.2
242.10670	1.1
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
53.03943	0.5
55.01852	0.2
55.03903	0.2
55.05509	11.2
55.54326	0.2
56.05019	0.5
56.96572	0.3
57.05810	0.9
67.05502	0.7
69.03444	1.2
69.07063	0.6
70.06591	0.7
71.04983	0.4
71.23695	0.5
72.08150	100.0
73.08475	0.5
79.05487	1.1
81.03403	0.6
81.07048	2.8
83.08600	0.4
84.04491	0.3
84.08146	0.8
85.02908	0.8
85.08431	0.4
86.09697	5.5
87.00824	0.6
91.05466	2.4
93.07028	1.9
95.04926	0.4
95.08586	1.2
97.02882	0.5
97.06549	0.6
99.04465	0.3
103.05476	0.3
105.07024	3.4
107.04919	0.4
107.08593	0.7
109.02823	0.3
109.06517	0.5
115.05522	0.5
116.98583	0.2
117.07030	1.2
119.04982	0.3
119.08557	1.9
121.06522	0.5
121.10124	0.3
127.03938	0.4
127.07548	0.4
128.06187	1.4
129.07011	2.4
130.07770	0.3
131.08569	2.7
132.10191	3.3
133.06540	0.6
133.10138	0.8
137.06082	0.3
140.61703	0.3
141.07002	0.4
142.06862	0.3
142.07756	1.4
143.08554	5.1
145.06520	0.4
145.10094	2.4
147.04443	0.3
147.08080	0.6
153.01831	0.4
155.08551	0.8
156.09344	0.7
157.06506	1.0
157.07646	0.5
157.10114	3.4
159.11690	2.2
161.06012	0.3
161.09691	0.5
161.13181	0.3
165.06975	0.4
169.10066	0.4
170.10837	0.5
171.08101	1.0
171.11716	0.6
173.09613	0.4
175.07509	1.8
185.07133	1.0
185.13266	9.2
185.16536	0.7
187.08731	0.4
187.14937	0.6
189.09045	0.6
195.11702	1.0
203.14380	0.6
213.06677	0.3
213.12753	2.4
231.02831	0.6
231.07901	2.6
231.10091	0.6
231.13779	7.1
231.17009	1.8
232.11836	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	232.048
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.1
55.01871	11.0
55.05497	5.5
55.93532	1.7
56.05020	5.6
56.96559	100.0
57.03432	33.5
58.06594	2.6
60.04520	8.1
60.05642	3.6
61.02915	6.9
61.43574	1.4
67.05501	3.0
68.05018	4.7
69.03422	16.0
69.07070	1.7
70.02938	1.8
70.06584	87.9
70.95876	2.2
71.01337	6.0
71.04980	15.7
71.06931	3.7
71.73392	1.7
71.94030	1.6
71.95251	5.4
72.04498	1.9
72.08142	12.4
72.93781	4.8
73.02905	18.2
74.06078	9.0
74.97622	2.7
76.47413	1.4
79.05479	2.3
81.03402	3.1
81.04545	2.1
81.07033	3.3
82.06576	4.3
83.04954	2.4
83.06106	1.9
83.97654	1.8
84.04497	12.1
84.08131	24.0
84.96021	13.2
85.02895	25.0
86.09705	8.4
87.04459	3.8
90.19930	1.5
90.94820	3.6
91.05484	3.8
92.05817	2.0
93.07036	1.9
94.06585	1.6
95.02457	3.5
95.04978	3.1
95.08588	2.6
97.02882	15.4
97.06528	1.7
98.06065	4.7
98.21178	2.4
98.97570	50.7
99.04446	2.6
100.07625	8.8
100.99139	2.6
101.07182	1.8
102.05520	1.7
104.07108	3.7
105.07043	1.9
106.07367	3.0
108.04501	3.2
109.02919	2.5
110.03525	3.5
110.06042	4.9
110.07159	4.9
110.97583	6.2
112.07598	7.3
112.08754	2.0
112.99133	2.4
113.03478	3.6
113.06022	2.6
113.96459	1.9
113.98596	2.3
114.05512	2.0
115.03926	5.2
116.07090	7.8
116.98608	44.6
117.98940	2.1
119.01891	8.4
119.45656	1.7
120.02047	2.7
121.01649	2.1
122.03495	3.0
124.05106	6.0
125.98725	1.6
126.09193	2.6
127.03943	3.5
128.04507	1.7
128.07063	10.2
128.98590	16.2
129.10201	7.6
130.02133	3.0
130.06528	7.6
130.07397	2.4
130.51369	1.9
131.00185	3.8
131.08615	2.3
131.96188	2.0
131.97447	5.0
131.99724	4.5
132.08916	2.4
132.95850	5.5
133.03465	3.5
133.05003	4.9
134.06017	1.9
134.99640	41.5
136.01442	2.5
136.07562	1.9
137.06004	1.7
138.03088	2.0
138.06596	4.2
141.05550	2.0
142.06165	2.2
142.08632	16.9
143.00124	2.3
143.01102	2.6
144.06535	3.4
144.08951	3.3
144.95839	1.5
144.98140	1.7
145.09947	1.8
146.10472	3.9
146.99648	29.4
149.01212	4.9
149.97253	3.1
149.98351	2.8
150.00771	5.4
150.96851	13.2
151.02646	2.0
152.00511	2.2
152.01535	8.9
152.05739	1.8
152.07051	2.0
153.00748	5.1
153.04080	13.4
154.02470	7.2
154.06140	2.9
154.08656	3.4
156.10318	1.6
158.01241	4.2
158.05956	1.6
158.09265	2.4
158.10471	3.8
158.99702	5.2
159.06580	2.4
160.02827	1.5
160.06314	2.8
160.27223	1.7
161.01305	4.2
162.96930	3.6
162.99181	5.3
163.02792	5.5
163.04326	1.9
164.01654	2.8
164.04597	3.4
165.00671	9.9
165.04109	5.7
166.06152	3.0
166.08720	2.0
167.02235	2.5
167.05594	9.7
167.97189	2.9
168.04010	21.8
170.01286	2.2
170.05615	5.0
170.11774	3.3
170.99666	3.7
171.02460	4.7
172.09641	2.5
172.10960	1.8
173.02341	2.2
173.09254	2.6
174.99152	6.9
175.06248	2.0
175.12018	2.0
177.00751	6.3
177.04094	4.3
179.02303	4.2
180.00829	6.6
182.05533	2.3
183.05099	18.8
186.07625	1.9
186.11328	4.9
186.13536	7.4
189.00621	11.4
190.02641	4.6
190.98747	4.8
191.02289	3.2
193.00136	13.2
193.03607	2.6
195.01851	3.2
196.09721	2.0
197.03426	7.7
198.01898	11.4
200.02632	8.4
201.00681	1.7
203.97163	2.5
205.00325	2.1
207.01765	7.4
208.99814	3.1
209.03210	11.2
209.06639	7.8
211.04601	81.1
211.99741	1.8
212.04980	5.6
214.03868	4.6
214.10701	25.9
214.12801	3.0
215.11244	1.8
218.03708	13.9
218.53833	2.0
219.01877	1.9
220.54102	2.5
223.01463	3.4
225.06235	5.7
229.54578	4.1
232.05055	3.6
232.11859	84.9
232.14114	14.8
232.16978	3.1
232.97469	2.8
241.02368	10.3
248.99226	3.1
253.05655	13.4
254.06046	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.0862
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	9.0
55.01861	2.2
55.05505	31.6
56.05019	0.9
57.03432	6.1
57.07057	2.8
58.06585	0.7
59.04988	2.5
60.05653	0.8
61.02912	1.5
64.03423	0.7
65.03927	1.6
66.56351	0.7
67.05498	3.9
68.99775	2.8
69.03423	58.4
69.07058	1.7
70.06577	5.3
70.35291	2.3
71.04982	13.6
71.08625	3.8
72.08150	8.3
79.05483	28.9
81.03412	26.0
81.07047	100.0
83.01334	1.2
83.04973	13.7
83.08609	12.0
84.04514	1.7
84.08138	4.9
85.02898	22.8
85.06535	10.4
86.09689	3.3
87.00819	42.2
87.04449	1.1
91.05470	8.3
93.07034	4.5
95.04958	1.6
95.08606	3.8
97.02882	14.6
98.98469	0.9
99.04447	16.7
99.08096	6.1
101.06010	1.6
103.05466	1.9
105.01849	6.7
105.07017	8.2
107.04985	0.9
107.08607	2.5
109.02853	8.2
109.06506	48.9
110.07144	0.8
111.04472	1.3
113.32076	0.7
115.05414	1.4
117.06998	3.5
117.09132	3.8
119.04965	1.1
119.08564	4.4
120.08133	1.7
121.06477	1.6
127.03901	13.6
127.07542	41.4
128.06195	4.2
129.06996	6.8
129.10239	1.1
130.07800	1.1
131.08545	6.0
132.10205	2.0
133.06401	1.0
133.10091	1.8
135.11688	1.3
137.05936	0.9
141.07024	1.5
142.07768	2.9
143.08554	12.2
145.04933	1.6
145.06433	0.7
145.08600	19.7
145.10123	8.0
147.04451	0.8
147.08052	1.8
153.12849	0.8
155.08533	1.7
156.09337	1.8
157.06494	1.6
157.10129	7.9
159.11699	5.6
161.05995	0.8
161.09586	1.7
165.06985	1.0
170.06020	0.8
170.10939	2.2
171.08043	2.4
171.11699	1.1
173.09598	1.4
175.07561	2.5
185.09676	2.0
185.13280	17.2
189.09138	2.7
189.12799	1.7
195.11708	1.8
203.06979	1.5
203.10689	1.4
203.14363	1.8
213.03906	1.0
213.09264	1.5
213.12770	4.1
231.03046	0.9
231.04787	1.9
231.06517	3.1
231.08556	3.3
231.10402	1.5
231.13782	14.5
231.17389	1.4
232.11809	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.0862
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19391	0.8
51.19151	0.7
53.03938	5.4
55.05505	34.7
57.03417	3.4
57.07058	2.6
59.04982	2.6
66.04715	0.9
67.05488	3.0
68.37140	0.8
68.99788	3.9
69.03421	15.3
70.06572	2.1
70.35148	3.7
71.04987	9.1
71.08618	3.7
72.08137	2.2
79.05018	1.2
79.05485	29.8
81.03417	6.8
81.07047	100.0
83.04967	12.5
83.08609	10.7
84.08134	1.8
85.02901	4.3
85.06542	10.2
86.09684	1.6
87.00819	31.9
91.05465	4.6
93.07018	2.6
95.04952	1.1
95.08581	1.5
97.02874	3.0
99.04440	1.9
99.08090	6.4
101.05978	0.9
105.01838	3.5
105.06999	5.5
107.08598	1.6
107.63065	0.8
109.02859	2.0
109.06506	45.0
111.08037	0.8
115.05439	1.4
117.06989	2.5
117.09115	2.9
117.67450	0.9
119.08573	3.0
119.09443	0.7
121.10197	0.9
127.03912	2.6
127.07537	37.7
128.06215	2.6
129.06995	4.1
131.08551	4.6
133.10068	1.0
142.07779	3.5
143.08560	7.2
145.06474	1.3
145.08583	14.6
145.10092	3.2
156.09364	1.4
157.06485	1.7
157.10135	4.9
159.11658	4.2
161.09654	0.9
163.04836	0.9
165.06952	1.1
171.11621	1.0
173.09576	1.0
175.07549	1.9
185.13255	12.3
187.14809	1.2
195.11586	1.2
213.09206	0.9
213.12753	3.5
231.06473	4.0
231.08585	3.3
231.13724	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	231.0497
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02366	0.6
53.03942	13.2
55.01853	2.3
55.05508	0.8
57.03428	3.3
61.02916	2.0
67.05501	0.6
68.99789	2.6
69.03423	100.0
69.07065	0.9
70.03746	1.1
70.06592	1.2
70.13918	1.4
70.14326	1.0
71.01350	0.5
71.04983	10.1
73.02924	0.9
79.05482	0.7
81.03410	52.5
81.07068	1.2
82.03753	0.6
83.01352	1.5
83.04999	0.4
84.04510	0.5
84.08142	0.6
85.02896	41.8
86.09731	0.5
87.00822	18.8
87.04434	0.6
91.05461	1.0
93.07047	0.8
95.08615	1.0
97.02882	27.6
99.04445	23.4
99.41349	0.4
105.01861	2.8
105.06992	1.9
106.55341	0.4
107.08591	0.6
109.02869	20.3
110.03175	0.5
111.00821	0.9
115.03947	0.5
117.07031	1.0
119.08594	1.4
121.01622	0.5
127.03904	27.3
128.04234	0.4
128.06219	0.8
129.01837	0.6
129.06970	0.9
131.08598	1.8
142.07732	0.5
143.08528	3.5
145.04993	2.4
145.10172	1.4
150.23734	0.4
153.01813	0.5
155.08664	0.5
156.09323	0.8
157.06503	0.6
157.10098	2.1
158.11815	1.0
159.11678	1.0
171.08121	0.6
173.09619	0.6
175.07619	0.8
185.09712	0.7
185.13173	5.7
189.09122	0.7
195.11664	0.8
203.10718	0.6
203.14374	0.7
204.12363	0.7
207.87318	0.4
213.03883	3.0
213.12804	1.2
231.04794	4.3
231.07045	0.4
231.10336	0.6
231.13815	4.4
231.17456	0.5
245.01572	0.4
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
51.02366	0.7
53.00282	0.5
53.03945	15.6
55.01853	2.6
55.05508	1.5
57.03432	3.5
57.07052	0.7
61.02919	2.2
67.05493	0.8
68.99789	3.5
69.03425	100.0
69.07058	1.6
69.13027	0.5
70.06593	1.2
71.01351	1.3
71.04989	14.9
71.42767	1.2
73.02901	0.6
79.05505	1.9
81.03413	50.9
81.07048	3.2
83.01348	1.0
83.05006	0.6
85.02900	46.3
86.09702	0.6
87.00824	17.2
91.05480	4.1
91.88682	0.5
93.07072	1.4
95.04972	1.0
95.08600	1.8
97.02885	22.5
99.04449	31.3
105.01873	3.8
105.03396	0.7
105.07027	10.3
105.07701	0.7
107.08630	1.3
109.02872	19.1
115.03980	0.5
115.05500	1.5
117.06984	2.6
119.08591	2.5
127.03909	27.8
128.06200	3.4
129.07004	3.9
130.07805	0.7
131.04929	0.6
131.08546	3.8
133.06509	1.6
133.10155	1.6
141.07004	1.5
142.07811	2.4
143.08554	8.3
144.72034	0.5
145.04970	2.7
145.06187	0.5
145.10092	3.7
147.08093	1.1
149.05949	0.9
153.06909	0.6
155.08533	1.5
156.09406	0.8
157.06557	1.1
157.10133	5.5
159.08128	0.6
159.11696	2.7
161.05988	0.7
165.06955	1.0
167.08611	2.1
169.06528	0.7
170.10980	1.2
171.08107	1.7
171.11632	1.3
173.09608	1.5
175.07602	1.6
185.09706	1.4
185.13290	12.0
185.71320	0.5
189.09209	1.0
189.12804	0.7
195.11745	1.3
202.07803	0.8
203.08578	1.4
203.10680	1.0
213.03917	3.7
213.09280	1.4
213.12820	3.0
223.55508	0.5
230.62830	0.6
231.04720	4.3
231.08223	1.2
231.10219	2.3
231.13815	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	231.0497
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	11.2
55.01857	3.4
57.03434	3.7
61.02928	1.1
68.99781	1.9
69.03421	100.0
69.72235	3.1
70.03770	0.8
71.04976	7.1
73.02907	0.8
79.05479	1.1
81.03408	46.1
81.07012	0.7
83.01331	1.4
83.04984	0.5
85.02378	1.2
85.02895	25.1
87.00817	18.1
87.04471	0.9
91.05473	1.0
93.07028	0.7
97.02882	37.8
98.97585	1.7
99.04446	18.2
100.43718	0.5
105.01859	4.5
105.07017	1.7
107.08525	0.6
109.02864	17.9
116.04954	6.2
119.08592	1.0
127.03902	21.0
129.07047	0.7
131.00075	0.5
131.08589	0.9
142.07768	0.9
143.08559	2.7
145.04892	2.8
145.10124	1.3
157.10234	1.4
158.99654	0.6
159.11681	1.1
176.85555	0.5
185.13217	3.0
191.02351	0.7
213.04010	2.0
213.12677	1.3
231.04913	4.7
231.13876	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	231.0498
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83286	0.8
53.03944	9.9
55.01867	4.0
55.05502	2.6
57.03423	3.3
61.02904	1.7
67.05491	1.3
67.96153	0.8
68.99790	3.0
69.03426	100.0
69.07069	1.7
69.46120	4.2
69.46547	4.2
70.03749	0.7
70.06577	2.0
71.01356	1.2
71.04976	5.1
72.08121	1.5
79.05491	2.6
81.03413	54.0
81.07050	5.0
83.01338	2.7
83.04985	0.9
84.08145	1.7
85.02902	32.3
87.00821	18.3
91.05485	5.2
92.09506	0.8
93.07033	3.7
95.04976	0.9
95.08597	2.6
97.02888	37.8
98.03201	1.2
98.21545	1.4
98.97564	1.1
99.04451	19.6
105.01844	3.6
105.07014	7.0
107.08575	2.4
109.02866	16.7
115.05425	2.0
116.04974	4.2
116.98546	0.8
117.07021	4.1
118.95872	0.8
119.08546	4.0
121.06504	1.6
127.03906	27.8
128.06197	3.6
128.46631	0.8
129.07021	5.8
131.08551	4.6
133.10127	2.7
135.08070	1.0
141.07018	2.2
142.07773	5.5
143.08554	10.8
145.04941	2.7
145.06450	1.2
145.10141	6.9
146.10904	1.0
147.08075	2.4
155.08574	2.5
156.09291	2.4
157.06496	1.7
157.10121	8.7
159.08104	1.6
159.11685	5.8
160.05226	1.1
161.09621	1.2
170.10892	1.9
171.04402	1.0
171.08089	1.8
171.11629	1.5
173.05859	1.0
173.09570	1.3
175.03986	1.4
175.07573	4.0
175.11140	1.5
185.05981	1.7
185.09669	2.0
185.13269	21.0
189.09145	2.3
189.12654	0.8
195.11711	1.9
198.10352	1.0
201.05574	1.6
202.07744	3.6
203.08566	4.0
203.10469	1.5
203.14455	1.6
213.03983	1.6
213.09152	5.9
213.12698	4.7
215.09326	1.0
231.04858	3.4
231.06544	5.8
231.08192	3.1
231.10208	2.6
231.13806	16.1
231.17360	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	230.99
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05011	14.4
56.56136	13.7
56.96554	60.7
61.11193	11.0
62.86869	13.7
69.77878	88.7
70.06577	100.0
72.08156	14.2
84.04471	15.5
84.08104	35.4
88.03970	22.3
98.21413	27.8
101.01781	14.5
107.26626	11.9
116.07106	66.0
119.01875	18.1
143.00133	25.1
146.01625	14.4
151.03096	13.1
161.01210	22.3
196.05988	18.5
231.09668	20.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	230.99
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96552	86.6
70.06570	34.1
71.16281	53.0
97.34398	25.7
126.85239	25.3
131.08505	27.5
132.95781	33.4
143.00134	73.4
143.08527	30.6
156.09593	21.2
161.01201	70.8
185.13249	100.0
231.13832	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	231.0498
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	13.4
55.01867	1.7
55.05505	17.2
56.05038	0.8
57.03435	5.0
57.07064	2.6
59.04979	1.6
60.04531	0.9
61.02933	1.2
65.03924	1.1
67.05498	2.6
68.99786	3.6
69.03423	100.0
69.07058	1.7
70.03077	2.9
70.03737	0.9
70.06586	2.8
71.01324	0.8
71.04987	17.9
71.08636	1.8
72.08148	11.8
79.05483	13.0
81.03411	45.8
81.07049	52.1
82.07390	0.6
83.01322	1.3
83.04975	6.9
83.08620	6.4
84.08141	4.3
85.02898	42.9
85.06540	5.1
86.03223	0.7
86.09692	2.6
87.00821	35.3
87.04440	0.8
91.05455	5.0
93.07010	3.3
95.04971	1.1
95.08614	2.7
97.02884	28.3
97.06524	0.8
99.04449	30.7
99.08095	4.1
103.05479	0.7
105.01856	6.8
105.03418	0.8
105.07029	6.3
107.04934	0.6
107.08578	1.3
109.02874	17.0
109.06511	26.5
109.10169	0.9
110.07134	0.7
111.00792	1.1
115.03989	0.8
115.05424	1.4
117.07014	3.0
117.09131	2.2
119.08575	3.9
120.08101	1.8
121.06505	0.8
127.03908	25.3
127.07542	22.7
127.08505	0.8
128.06212	3.4
129.05304	0.6
129.07056	4.4
129.10194	0.9
131.08546	4.7
132.10222	2.2
133.06499	0.7
133.10135	1.8
141.06996	1.2
142.07814	2.3
143.08563	8.1
145.04942	3.4
145.08582	8.8
145.10130	5.3
147.08064	1.7
155.08580	1.1
156.09372	0.9
157.06488	1.9
157.10133	5.8
159.11678	4.4
161.05957	0.8
161.09598	1.6
165.07028	1.1
170.10939	1.5
171.08092	1.9
171.11748	0.9
172.24643	0.6
173.09665	1.5
175.07510	3.0
175.11174	1.1
185.09647	1.4
185.13234	16.3
185.14735	1.1
187.14871	1.2
189.09169	2.3
189.12727	1.0
195.11751	2.4
203.10779	1.0
203.14435	1.7
213.03937	3.3
213.12672	4.1
231.04723	4.9
231.06792	1.3
231.08572	1.9
231.10435	1.5
231.13791	13.0
231.17436	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1947
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35076	0.6
53.03929	1.2
55.05508	10.5
55.52362	0.6
57.03428	0.9
57.07054	2.1
65.03933	1.3
67.05147	1.0
67.05496	16.8
69.07056	7.5
70.00039	3.7
79.05477	10.7
81.07046	15.4
83.08601	2.4
91.05469	17.9
93.07034	11.9
93.76006	0.6
95.04940	1.2
95.08003	1.1
95.08592	16.1
103.05476	0.8
105.07016	27.4
105.07727	1.4
107.08569	8.8
109.06522	0.7
109.10133	9.6
115.05421	2.3
116.06242	1.3
117.07008	18.5
119.08569	20.5
121.06417	0.7
121.10121	8.1
123.11668	1.9
128.06186	7.2
129.06995	8.6
130.07741	2.8
131.08551	39.3
132.09193	0.7
133.06497	0.9
133.10110	17.3
135.04358	1.0
135.11671	4.2
141.06966	4.9
142.07751	5.1
143.08542	17.5
144.09300	2.8
145.06476	3.3
145.10106	37.8
147.11667	18.2
149.05931	0.8
149.13232	1.7
153.06995	5.9
154.07771	1.6
155.08540	8.8
156.09256	0.9
157.10110	8.5
158.07191	0.7
158.10933	1.6
159.08040	2.9
159.11671	28.5
161.13239	6.0
168.09328	14.1
169.10071	2.0
170.10876	0.8
171.07986	1.6
171.11713	5.1
173.05954	2.7
173.09610	0.9
173.11902	1.0
173.13235	25.2
174.13980	0.8
175.11142	0.8
175.14972	1.0
181.10124	1.0
183.11674	30.9
185.13274	4.4
186.14003	0.9
187.07491	2.5
187.11185	4.9
187.14792	18.3
193.10092	1.0
195.98116	0.6
196.08765	1.0
199.14845	0.8
200.15611	2.1
201.12695	6.8
201.16348	3.9
211.11142	6.0
229.12216	20.4
229.15814	3.5
229.19487	100.0
230.12527	0.9
230.19838	2.8
247.13245	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	230.0701
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98622	0.5
55.05500	0.9
56.96561	49.3
57.03419	0.5
58.06585	1.2
59.07367	0.5
60.08150	1.1
61.02924	0.5
61.08479	0.5
64.59307	0.4
67.05488	0.5
69.03422	0.5
69.07085	0.5
70.06585	18.8
70.06971	1.0
70.43697	0.7
71.04977	0.9
71.06917	2.4
71.95255	3.6
72.08154	2.9
72.96043	2.6
73.06536	0.4
74.97608	1.1
81.03402	0.6
81.18307	0.4
82.06567	0.5
83.04998	0.5
83.97617	1.5
84.04501	1.8
84.08125	5.6
84.96021	1.6
85.02884	0.7
86.06071	0.7
86.07200	0.5
86.09694	6.9
97.02876	0.8
97.99199	0.5
98.06053	0.7
98.21282	0.5
98.97574	100.0
99.04468	0.6
101.00867	0.7
102.00965	1.0
102.02210	0.5
114.05514	0.6
114.06632	1.1
116.00226	2.0
116.07125	0.6
116.98612	95.8
117.98955	0.6
119.01913	4.1
120.01995	4.4
121.01671	2.0
124.00758	1.2
124.07555	0.6
126.02265	1.6
128.98621	0.9
129.10240	1.7
130.08635	0.5
134.01271	3.5
134.99648	58.2
137.02953	1.0
138.03047	1.6
140.00175	3.9
140.03819	1.9
140.10684	1.4
142.05409	1.7
142.08620	2.0
143.01944	0.7
143.08990	3.0
144.03313	1.3
146.09207	0.4
146.99599	1.2
149.01292	0.6
153.00703	9.0
153.02084	0.6
157.03577	0.7
158.01251	3.9
158.04883	4.9
159.11290	1.2
160.06454	7.5
161.02972	0.9
165.00723	0.6
169.09657	0.5
169.99971	0.7
170.04918	1.5
171.03294	1.8
175.11964	0.6
176.05960	1.9
178.07494	2.7
184.00610	0.5
184.04440	0.7
184.12090	0.8
186.11194	0.6
188.01068	1.3
188.05885	4.2
189.00677	1.2
189.02596	0.6
189.04330	14.8
198.00673	0.7
202.07535	1.5
203.05945	0.6
206.06999	9.9
207.01811	1.0
207.05396	10.3
212.05957	2.0
216.00366	1.0
224.08046	15.5
225.08453	0.5
229.08704	0.5
230.01189	1.5
230.06960	15.1
230.11426	1.4
230.15797	17.6
230.18309	0.6
231.05347	2.8
231.07442	0.5
241.54410	0.4
248.08044	28.8
248.99191	1.5
249.06410	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1545
Annotation	H-Pro-Leu-OH
Peak:m/z	Relative Intensity
53.47188	0.3
55.01855	0.9
55.05486	0.5
56.05036	0.5
56.96558	9.5
57.03426	0.4
58.06312	0.7
58.06590	9.9
59.07379	2.3
60.08154	10.6
67.05498	0.4
68.05028	1.7
69.20657	0.4
69.34191	0.3
70.06583	61.9
70.96782	0.9
71.06920	0.5
71.35074	0.3
71.95232	0.5
72.08144	2.0
72.96043	0.6
79.05495	0.4
79.75532	0.3
80.05022	0.5
81.07048	0.6
82.06524	0.4
83.97626	0.3
84.04517	0.7
84.08134	1.6
84.95995	0.5
85.02902	0.6
86.09687	1.9
91.05478	0.9
95.04954	0.4
96.01517	0.5
96.08112	3.2
97.02868	0.7
98.06081	1.8
98.97569	12.4
101.00880	2.2
105.07017	0.8
106.21308	0.4
107.08567	0.5
110.97525	0.4
114.05519	6.7
114.09155	3.2
115.05490	0.4
116.07071	1.7
116.98609	10.8
117.07011	0.5
117.10242	0.4
119.01911	8.3
119.08559	0.4
120.02065	0.4
124.07589	5.0
126.09136	1.0
128.02385	0.3
128.06203	0.9
128.98634	0.5
129.06981	0.5
131.01933	0.4
131.08537	1.1
133.03448	0.7
134.02933	0.5
134.99648	5.3
137.02946	1.6
140.03807	0.6
141.06961	0.7
141.41684	0.3
142.08620	50.6
143.08510	2.3
144.03319	0.4
144.99852	0.5
145.06467	0.6
148.26797	0.4
153.00693	0.7
153.06963	0.8
154.04939	0.4
155.08522	1.6
157.10103	0.6
158.01224	0.6
158.04906	1.0
159.11623	0.4
160.06438	1.3
161.02892	0.7
168.09335	2.4
170.08104	2.2
173.05899	0.5
178.07457	0.6
183.08012	0.4
183.11700	4.4
183.14920	3.3
187.00899	1.7
187.11240	0.6
188.05945	0.9
189.04341	2.0
201.12743	0.8
206.06973	2.0
207.05405	1.1
211.11201	0.6
215.00346	0.8
224.08028	2.5
229.12268	2.7
229.15446	100.0
230.07048	1.2
230.15837	1.9
248.08084	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	229.1433
Annotation	Traumatic acid
Peak:m/z	Relative Intensity
53.03942	1.5
55.01857	3.4
55.05506	5.0
57.03427	3.3
57.07059	1.9
67.05501	20.8
69.03428	1.6
69.07073	3.1
70.06587	3.1
70.12838	2.7
70.13258	3.4
71.04988	2.2
71.35295	1.0
75.80401	1.1
79.05489	8.2
81.07043	25.4
83.04987	2.9
83.08607	2.0
84.75167	1.1
85.06532	2.4
86.06080	1.1
91.05475	19.7
93.07034	10.6
95.04964	4.9
95.08602	5.1
97.06541	3.9
98.06087	1.2
98.20700	1.3
99.04432	1.5
99.08080	1.5
99.78473	1.1
100.02069	0.9
103.05482	3.3
105.07024	30.5
105.07719	1.7
105.49145	1.1
107.04953	3.2
107.08585	8.5
109.06538	4.1
109.10145	12.0
112.11224	1.1
115.05455	5.6
116.06215	2.0
117.07001	8.2
119.08567	12.7
121.06520	3.1
121.10153	4.5
123.04472	1.8
123.11713	5.3
128.06216	26.0
129.07004	18.1
130.07753	1.4
131.08554	21.1
131.09447	1.9
133.10153	4.7
135.04398	5.3
137.05986	1.5
141.06989	13.2
142.07790	14.1
143.08553	45.3
144.09200	3.2
145.06480	9.7
145.10095	9.7
147.08026	2.3
147.11684	21.1
149.06018	3.0
152.06149	1.3
153.06984	16.5
154.07780	3.4
155.08549	34.5
156.09283	1.8
157.10103	22.1
158.10942	2.1
159.04465	2.1
159.08054	10.1
159.11699	15.3
161.05952	1.6
161.09590	1.5
165.07047	1.2
165.12724	9.1
167.08563	5.6
168.09329	47.6
169.06407	1.9
169.10115	7.6
171.08046	6.0
171.11670	2.3
172.08855	1.8
173.05971	10.0
173.09633	3.5
173.11873	2.2
173.13310	8.4
175.11176	7.0
178.07748	1.5
181.06447	2.2
181.10168	3.1
183.11678	100.0
184.12173	4.1
185.09644	1.4
185.13312	4.1
187.07552	9.3
187.11176	15.4
193.10162	4.1
196.08896	3.0
201.09174	1.8
201.12727	22.6
202.13170	2.0
211.11195	15.8
211.14864	1.6
212.11533	1.1
214.09854	1.8
229.08643	3.5
229.12276	57.5
229.14371	14.9
229.16014	3.5
229.19667	3.2
230.12505	2.5
230.18971	7.9
247.13246	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	229.1545
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.8
56.96535	1.1
57.03443	1.0
58.06602	6.6
59.07356	1.1
60.07946	0.7
60.08158	7.7
65.50323	0.9
68.05024	2.1
70.06585	59.8
70.38792	1.1
70.95357	2.0
72.08151	1.9
72.94573	0.9
73.59750	0.9
84.04480	1.3
84.08135	3.4
85.02924	1.6
86.09689	1.1
95.06081	2.5
96.08136	1.4
97.02877	2.5
98.97578	1.1
101.00862	2.6
103.84451	0.9
103.93558	0.8
105.07022	0.9
114.05505	3.0
114.06641	1.7
114.09160	2.4
116.07061	1.6
119.01909	11.0
120.02068	1.0
124.07590	3.8
128.06157	1.3
133.03426	2.3
137.02943	2.2
139.04132	1.2
142.03490	1.0
142.08624	35.2
143.08566	2.0
144.99770	1.0
153.06996	1.5
155.08501	1.9
168.09334	1.3
170.08101	1.7
173.06055	0.9
183.07515	0.9
183.11592	5.9
183.14957	2.3
184.04556	1.7
187.00829	1.7
187.11192	1.1
201.12720	1.8
215.00276	1.4
229.03162	5.7
229.06688	2.1
229.11942	4.1
229.15453	100.0
230.01071	2.1
230.15778	1.8
237.42532	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.143
Annotation	Traumatic acid
Peak:m/z	Relative Intensity
53.03932	2.8
55.01860	1.2
55.05499	6.9
57.03416	5.5
59.04978	1.8
65.03925	1.5
66.72339	1.3
67.05498	33.5
69.03424	2.3
69.07044	3.6
70.06588	3.1
70.42619	4.4
70.43013	3.0
71.04971	3.1
72.08128	1.7
79.05469	7.9
81.03393	2.0
81.07042	12.2
83.08604	3.1
85.06523	2.7
91.05470	15.0
93.07043	9.2
95.04952	3.5
95.08596	3.4
103.05437	1.8
105.07023	19.5
107.04955	3.0
107.08564	8.4
109.06495	3.2
109.10150	29.2
111.08038	2.3
115.05446	5.2
116.06257	1.6
117.07003	6.4
119.04991	2.0
119.08572	12.2
121.06473	2.3
121.10136	2.1
123.04394	2.2
128.06212	20.7
129.06995	17.7
130.07854	1.5
131.04872	3.6
131.08560	22.6
133.10129	3.5
135.04364	1.9
137.09531	2.3
141.06979	13.7
142.07770	16.1
143.08554	39.5
144.09273	4.5
145.06444	9.2
145.10139	7.7
147.11711	3.5
149.05956	3.0
153.06970	16.5
154.07745	5.0
155.08521	29.2
155.10541	1.8
157.10095	19.1
159.08047	12.3
159.11656	14.0
161.05933	2.2
167.08504	5.6
168.09325	42.3
169.06490	2.9
169.10083	6.9
171.08028	5.9
171.11659	2.7
173.06003	8.4
173.09642	3.5
173.11691	7.0
173.13176	6.2
175.11201	4.3
181.10057	2.5
183.11676	100.0
184.12117	2.5
185.09619	2.2
185.13219	2.9
187.07529	9.6
187.11154	18.1
193.10094	3.6
193.12178	1.8
196.08797	3.1
201.09076	2.0
201.12720	25.9
211.11220	12.9
221.54382	1.4
229.08539	4.4
229.12216	66.5
229.14281	8.3
229.16017	2.9
229.19432	3.4
241.62141	1.6
247.13284	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	229.1432
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.7
55.01862	3.3
55.05502	9.9
57.03433	10.3
57.29651	1.3
65.03928	2.7
67.05496	45.0
69.03400	3.1
69.07052	6.0
69.58183	11.3
70.06573	3.6
70.79612	1.6
71.04977	3.1
79.05491	8.7
81.03426	2.0
81.07052	23.7
83.04954	1.8
83.08602	3.6
84.08136	1.5
85.06544	2.1
91.05466	25.5
93.07035	12.8
95.04942	4.9
95.08599	8.2
97.02849	1.4
97.06525	4.1
103.05412	1.7
105.07018	28.1
107.04958	2.3
107.08569	9.5
109.06501	4.3
109.10148	31.2
111.08039	2.6
115.05455	4.9
116.06209	2.3
117.07031	6.2
119.08575	17.9
121.06496	4.3
121.10114	4.7
123.08102	1.5
123.11729	6.7
128.06206	22.6
129.06995	16.7
131.04921	1.7
131.08568	19.2
133.10085	3.3
135.04416	4.6
137.09660	2.0
141.06966	14.4
142.07756	15.2
143.08542	43.2
144.09325	4.8
145.06476	8.5
145.10129	8.8
147.08026	2.4
147.11678	21.0
149.05962	3.9
152.06119	1.6
153.06985	17.3
154.07712	4.1
155.06046	2.1
155.08539	28.2
156.09314	2.5
157.06560	1.4
157.10097	20.7
158.10905	1.6
159.04437	3.0
159.08064	8.1
159.11684	17.9
165.12750	9.0
167.08571	5.4
168.09332	40.2
169.06496	2.1
169.10065	7.9
171.08063	5.1
171.11674	2.5
173.05977	10.7
173.09605	4.1
173.11728	7.8
173.13234	5.0
175.11125	7.0
178.07698	1.7
181.10065	1.6
183.11679	100.0
184.12115	3.8
185.13223	3.7
186.10400	1.9
187.07506	9.0
187.11140	15.9
193.10080	3.6
193.12100	1.7
196.08844	2.2
201.09079	4.0
201.12708	22.6
211.11250	11.5
212.16412	2.2
214.06354	1.9
225.84657	1.5
229.08568	4.1
229.12206	60.6
229.14325	26.1
229.15962	1.7
229.19379	2.8
229.23451	2.2
230.12262	1.4
247.13196	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	229.1434
Annotation	Traumatic acid
Peak:m/z	Relative Intensity
53.03936	2.7
55.01863	5.4
55.05502	21.2
56.05020	4.5
57.03427	5.8
58.99578	21.8
59.04990	3.3
65.03924	2.6
67.05498	36.5
68.05021	2.1
69.03410	2.6
69.07063	11.9
69.88245	9.0
70.06574	3.2
71.04982	5.7
76.02206	2.9
79.05489	16.9
81.07049	60.4
81.49983	1.5
83.04969	6.0
83.08622	8.7
85.01117	11.0
85.06529	5.7
86.00642	32.7
86.01128	2.8
86.99035	3.4
87.02674	7.5
88.03983	1.7
89.04252	7.3
91.05471	28.7
93.07038	16.3
95.04941	6.1
95.06076	9.9
95.08585	11.0
97.06524	3.5
97.10133	2.1
98.09692	10.1
98.20761	1.7
99.08094	2.4
101.04212	10.5
103.05408	1.8
105.00105	2.1
105.07024	39.5
105.24104	1.3
107.04916	2.1
107.08585	15.4
108.08118	1.9
109.02874	2.1
109.06512	6.0
109.10142	18.9
113.01711	5.2
113.04223	6.5
115.05459	5.0
116.06187	2.3
117.06989	7.4
119.04865	1.4
119.08577	25.2
119.34756	1.3
121.06512	2.8
121.10120	12.1
122.09671	2.7
123.08073	3.1
123.11703	16.7
125.09624	2.6
127.07531	2.4
127.11192	2.9
128.06215	25.9
129.07278	29.2
130.07712	1.5
131.04927	2.5
131.08557	22.0
132.01138	34.3
133.10124	4.9
135.04405	4.1
135.11732	1.9
137.09627	2.0
137.13245	2.1
141.06996	15.5
142.07770	15.5
143.08559	44.3
144.09308	5.8
145.06458	8.6
145.10101	10.8
147.07976	2.3
147.11665	48.1
149.06003	4.1
153.06953	16.0
154.07732	3.7
155.08545	29.6
156.08385	27.3
157.10115	16.7
159.04724	15.8
159.08026	13.7
159.11693	15.3
159.49576	1.6
165.12740	17.4
167.08553	4.5
167.14345	2.2
168.09328	44.0
169.10141	7.4
169.12213	2.0
170.10963	1.7
171.08067	4.3
172.08769	2.8
173.05978	7.9
173.09592	6.1
173.11763	5.3
173.13261	8.7
175.11218	5.5
175.14868	1.8
181.10080	3.4
183.09514	100.0
183.11693	96.2
184.09846	2.8
184.12186	3.1
185.13303	4.4
186.10242	1.6
187.07576	7.1
187.11151	19.2
193.10162	4.4
193.12122	2.4
193.15877	1.6
196.08826	3.5
201.09138	2.0
201.12730	27.5
202.07050	3.0
202.08948	61.4
211.07782	1.5
211.11243	15.1
211.15030	1.8
211.16940	6.1
223.28676	1.5
229.10062	16.3
229.12234	66.8
229.14293	7.0
229.15952	4.5
229.19502	2.7
247.13313	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	229.1068
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	2.4
55.01855	1.0
55.05476	2.0
57.03409	2.6
65.03914	1.0
67.01842	1.8
67.05497	4.3
68.99762	1.3
69.03424	14.2
69.07037	1.6
70.06580	4.8
71.04982	3.9
71.31690	1.2
72.08133	2.0
79.05489	3.9
81.03405	1.5
81.07037	2.6
81.57005	0.5
81.90503	0.5
83.04962	0.8
83.08575	0.9
84.08103	2.6
85.06531	1.6
86.09665	3.9
91.05466	10.7
93.07024	4.5
95.01316	1.1
95.04949	5.7
95.08614	1.0
98.06040	0.7
99.04425	1.4
103.05447	1.7
104.24271	0.6
105.07017	14.4
106.73506	0.6
107.04932	1.6
107.08573	2.9
109.02859	1.2
109.06477	2.7
111.04411	2.8
113.05981	2.5
115.05452	3.9
116.07043	1.1
117.07001	4.1
119.04931	2.6
119.08573	2.5
121.06496	1.7
123.04411	1.8
123.08026	1.6
125.02335	100.0
125.05968	2.3
126.02670	1.3
127.03919	1.5
128.06201	9.7
129.06976	6.6
131.04907	1.4
131.08556	10.0
133.06464	5.2
133.10120	1.1
135.04416	1.3
135.08058	0.6
137.05968	6.4
137.09602	2.2
139.03844	1.3
140.04681	0.7
141.05441	16.1
141.06990	5.7
142.07755	6.9
143.03406	1.3
143.08542	17.8
144.09331	2.1
145.06445	5.1
145.10103	3.2
147.08044	1.8
149.05994	1.4
151.07504	2.5
153.05475	3.4
153.07002	5.6
154.07738	1.7
155.08525	11.1
156.09312	0.9
157.10101	6.1
158.07303	0.6
159.04431	1.1
159.08012	4.3
159.11703	4.6
161.05919	1.1
165.09064	5.6
166.07895	0.8
167.07045	7.8
167.08531	2.1
168.09322	17.7
168.10774	0.9
169.04955	14.8
169.06335	0.7
169.10112	2.4
171.08054	2.3
172.08835	0.8
173.06003	3.4
173.09676	1.9
173.13289	2.0
175.07561	0.8
175.11223	1.3
183.08102	1.3
183.11667	38.2
184.12146	1.0
185.13293	2.0
186.10564	0.7
187.07474	4.1
187.11153	5.6
193.08582	31.4
196.08965	1.1
201.09016	1.2
201.12703	9.5
211.09674	22.9
211.11270	4.0
229.05016	0.8
229.08624	1.3
229.12282	21.8
229.15666	1.3
229.23486	0.8
247.13283	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	229.1432
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87898	0.9
53.03939	1.2
55.01853	2.8
55.05272	1.0
55.05507	11.7
57.03435	18.6
57.07071	2.0
59.04997	6.4
65.03922	2.2
67.05499	100.0
68.05811	1.0
69.03426	1.4
69.07064	4.5
69.74039	1.6
69.74451	4.3
70.06582	5.0
71.05006	3.9
71.05328	0.8
72.08138	1.3
77.03224	0.7
79.05486	5.6
81.03381	1.0
81.07049	15.9
83.04952	1.6
83.08614	7.7
84.08121	2.0
85.02890	0.8
85.06541	3.8
86.09660	1.9
91.05476	16.9
93.07034	7.5
95.04940	3.0
95.08598	7.8
98.21466	1.0
103.03950	0.8
105.07024	15.4
107.04950	1.9
107.08587	6.7
108.08930	0.8
109.02874	1.2
109.06505	2.5
109.10147	84.3
110.10484	2.0
111.08086	3.9
113.02348	2.0
115.05442	4.0
116.06223	1.1
117.06982	6.2
119.08570	11.5
121.02824	1.0
121.06467	2.6
123.04452	1.6
123.08030	1.2
125.02436	1.0
128.06206	15.8
129.07011	9.1
130.07780	1.0
131.04897	1.6
131.08554	13.1
133.06497	0.9
133.10114	1.7
135.04388	2.3
137.05962	1.3
137.09615	3.3
141.06979	9.9
142.07767	10.6
143.08551	31.0
144.09306	3.2
145.06479	8.1
145.10077	6.5
147.08083	1.2
149.06026	2.1
149.10739	2.2
153.06992	12.3
154.07744	3.1
155.05956	1.1
155.07150	1.5
155.08549	18.3
155.10631	3.1
156.09296	1.9
157.10129	10.4
158.10902	1.6
159.04416	1.5
159.08055	8.3
159.11673	10.2
161.05991	0.9
165.06947	1.8
167.08563	3.5
168.09340	30.2
168.10786	1.5
169.06473	1.5
169.10075	4.0
171.08075	4.6
171.09277	0.8
172.08803	1.0
173.05978	5.3
173.09528	2.3
173.11749	23.6
173.13210	3.8
175.11127	2.0
181.06488	1.4
181.10089	1.1
183.11682	69.5
184.12106	2.6
185.13229	3.4
186.10347	1.6
187.07521	5.4
187.11162	12.0
188.11568	0.9
193.08563	1.1
193.10135	2.7
196.08881	0.9
201.12737	19.2
211.09561	1.9
211.11218	10.1
214.09901	1.0
229.08586	1.8
229.12198	40.4
229.14349	24.6
230.12514	2.2
247.13284	6.7
248.13617	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.107
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	1.4
55.01838	1.5
55.05480	1.3
57.03406	2.0
59.80368	0.4
63.25851	0.5
65.03914	0.9
67.01842	1.7
67.05490	3.5
68.99771	1.0
69.03423	15.4
69.07034	0.8
70.06582	2.8
71.04981	4.3
71.72212	0.8
72.08135	1.0
79.05074	0.4
79.05479	2.9
81.03379	1.5
81.07024	1.9
83.04952	0.5
84.04495	0.9
84.08114	0.6
85.06513	1.5
86.09712	2.5
91.04922	0.7
91.05474	8.5
93.07021	2.3
95.01320	1.1
95.04959	4.4
95.08549	0.6
97.06525	0.8
99.04430	1.4
100.11214	0.5
103.05440	0.9
105.07024	11.7
107.04935	1.3
107.08558	2.0
109.02840	0.7
109.06495	3.0
111.04437	2.1
113.05980	2.9
115.03850	0.5
115.05446	2.7
116.06181	0.5
116.07053	0.6
117.06992	3.5
119.04948	2.4
119.08559	1.7
121.06493	1.3
123.04434	1.1
123.08052	1.2
125.02341	100.0
125.05962	2.4
126.02679	0.8
127.03905	0.7
128.06192	6.3
129.06992	4.2
130.07840	0.6
131.08556	5.9
133.06471	4.1
135.04404	1.4
137.05957	5.9
137.09634	2.0
139.03949	1.1
140.04694	0.5
141.05449	13.1
141.06984	2.9
142.07758	4.2
143.03401	0.9
143.08545	12.5
144.09335	1.3
145.06467	2.9
145.10109	2.4
147.08003	1.3
149.05974	1.2
149.09561	0.8
151.07574	3.0
152.06168	0.6
153.05479	4.0
153.06998	5.1
154.07745	1.1
155.08521	9.3
156.09207	0.5
157.10089	3.9
159.04367	0.6
159.08075	3.3
159.11670	4.1
161.05978	1.5
165.09108	6.2
167.07069	6.7
167.08548	1.4
168.09323	12.3
169.04951	14.4
169.10109	1.7
171.08072	2.4
171.11676	0.5
172.08856	0.5
173.05980	3.2
173.09631	0.8
173.13280	1.3
175.07605	0.9
175.11194	0.8
179.07199	0.6
181.10152	0.5
183.11684	27.7
184.12219	0.5
185.13332	1.3
187.07533	2.3
187.11174	4.3
193.08591	30.8
196.08876	0.9
201.09247	0.5
201.12680	5.8
211.09578	20.8
211.11201	2.9
229.12318	14.9
229.15733	1.0
247.13332	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1004
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.1
54.40417	0.8
55.01846	2.6
55.05504	12.6
56.05007	3.8
57.03446	0.9
58.99580	17.8
61.01109	2.1
64.00497	1.0
65.03928	1.3
66.95873	0.8
67.05499	5.3
68.05003	1.2
69.03418	1.3
69.07032	2.2
70.06541	2.9
70.12730	4.3
70.64523	0.8
71.09201	0.9
71.09600	0.9
74.00654	1.3
75.01408	1.3
76.02185	1.1
79.05479	8.2
80.05025	1.0
81.07040	11.9
82.06529	1.4
84.08112	1.5
85.00686	0.8
85.01119	12.0
86.00640	45.3
86.05982	0.8
86.99058	4.0
87.02682	8.3
88.02175	1.4
88.03966	1.5
89.04245	8.0
91.05460	10.3
93.07037	4.6
95.04924	2.5
95.06067	5.5
95.08553	1.8
97.02869	1.3
98.09669	12.2
98.20717	1.0
101.04202	3.3
103.05427	1.8
105.00053	2.0
105.06329	1.0
105.07009	15.7
107.04890	1.8
107.08585	4.7
108.08116	1.5
109.06483	1.2
110.09650	1.1
111.06432	0.9
112.11211	1.1
113.01665	4.5
113.04212	8.7
114.03719	1.1
115.05441	4.3
116.06195	1.5
117.06993	5.4
119.04884	1.0
119.08585	3.9
121.06450	2.6
122.09633	1.6
127.05728	1.0
128.05341	0.9
128.06210	17.7
129.07144	17.7
130.06749	2.0
130.07689	0.8
131.01581	1.0
131.04904	2.0
131.07675	1.1
131.08548	15.8
132.01137	45.7
132.02145	2.1
133.06404	1.0
133.10089	1.1
135.04337	2.5
141.06973	11.6
142.07777	11.8
143.08554	34.1
144.09236	3.1
145.06456	6.9
145.10085	5.7
147.07961	1.6
149.05919	3.4
153.06981	13.1
154.07695	3.2
155.08540	21.3
156.08403	33.2
157.08896	0.9
157.10107	12.5
158.10960	1.3
159.04727	26.2
159.08044	7.9
159.11667	10.6
161.05901	1.8
165.06880	1.2
167.08484	3.9
168.09319	33.8
169.06400	2.1
169.10080	4.9
171.08098	5.4
171.11584	0.9
173.05968	5.7
173.09549	2.4
173.13182	3.6
174.09438	0.8
175.11122	1.6
178.07675	1.2
181.06412	1.4
181.10023	1.6
183.09438	81.0
183.11606	79.1
183.13066	1.6
184.09814	1.6
184.12111	1.8
185.06122	1.9
185.13216	2.8
186.10271	1.3
186.13792	0.9
187.07497	8.4
187.11159	14.0
188.06754	0.9
193.10075	3.8
196.08859	1.7
201.09047	1.3
201.10953	1.2
201.12706	17.2
202.08943	100.0
211.09464	1.1
211.11185	13.2
229.08675	2.0
229.09990	12.6
229.12141	52.9
229.15770	2.4
229.23463	1.1
230.12434	1.7
247.13231	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	229.1003
Annotation	Naphthacene
Peak:m/z	Relative Intensity
53.03936	7.9
55.01867	1.7
55.05494	1.7
60.28379	0.9
61.01144	18.8
67.05495	2.3
69.03393	1.9
70.06572	3.8
71.11567	1.7
71.11920	1.5
72.04496	3.3
75.53741	0.9
76.02214	2.6
78.03777	2.4
79.05495	4.7
81.03407	42.8
81.07037	3.1
83.04915	1.2
84.08131	1.1
85.01122	1.2
86.06056	82.5
91.05476	6.0
93.07024	2.3
94.47865	0.9
95.04942	3.2
95.08574	1.1
97.01116	1.3
97.02866	1.1
98.06033	4.2
99.02663	10.1
102.03732	1.5
103.02123	2.8
105.07011	8.2
107.04942	3.1
107.08570	2.7
109.03525	1.4
113.00581	8.6
113.04207	1.7
115.02124	0.9
115.05420	1.8
115.08678	38.3
115.09488	2.0
117.06995	4.3
118.03221	2.5
119.08585	3.6
120.04788	5.7
120.08086	2.5
121.06443	1.8
123.04360	1.1
128.06204	10.7
129.07014	9.6
130.07680	1.6
131.04919	1.6
131.08545	9.9
133.06493	1.8
137.88182	0.9
140.05254	2.0
141.03671	100.0
141.06976	4.7
142.04050	1.1
142.07753	7.3
143.08542	17.2
144.09311	2.2
145.06483	6.2
145.10132	5.2
147.05859	5.3
148.06779	1.3
149.05998	2.3
149.07411	5.6
153.06984	7.2
154.07681	1.2
155.08534	12.0
157.06465	1.2
157.10101	8.3
158.06319	14.4
158.10777	1.1
159.04431	2.1
159.08046	4.3
159.11662	6.2
167.08496	2.4
168.09326	19.6
169.10081	3.5
171.08049	2.7
172.08728	1.8
173.05949	3.8
173.09584	1.5
173.13248	3.1
175.11156	1.3
181.06499	1.3
181.10103	1.4
183.11679	42.5
185.13261	1.6
186.10391	1.7
187.07562	4.8
187.11137	9.2
193.10164	2.3
196.08830	1.8
200.07411	3.7
201.12698	11.8
211.11128	9.6
212.07420	1.6
229.10019	63.7
229.12241	32.6
230.10390	1.5
231.67180	1.1
247.13164	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	229.1003
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.3
55.01862	3.5
55.05502	13.4
56.05033	2.7
57.03429	2.2
57.07053	1.3
58.99294	1.7
58.99577	22.3
59.04990	1.1
61.01139	2.6
65.03940	2.3
67.05491	17.8
69.03414	2.6
69.07059	7.5
69.91401	4.7
70.06579	3.1
71.04978	3.3
74.00639	1.2
76.02210	1.6
79.05489	11.3
79.45568	0.8
80.05000	0.9
81.07047	30.5
83.04978	5.1
83.08605	4.6
84.08191	0.9
85.01117	10.3
85.06539	2.8
86.00642	32.7
86.99049	3.5
87.02684	6.4
87.04420	1.0
88.02213	1.8
88.03971	1.0
89.04238	7.5
91.05468	16.7
93.07030	8.4
95.04951	3.3
95.06078	6.5
95.08590	7.2
96.08142	0.9
97.06555	1.9
97.10188	0.8
98.09681	12.8
99.08094	1.1
101.04230	10.9
103.05445	1.5
104.10188	0.9
105.00074	2.0
105.07023	21.9
107.04977	1.3
107.08572	9.9
109.02896	0.9
109.06508	2.5
109.10138	11.5
113.01704	3.2
113.04218	7.0
115.05471	3.6
115.07537	0.8
116.06215	1.5
117.07001	5.6
119.08562	11.0
121.06474	2.6
121.10135	5.9
122.09683	1.2
123.08062	1.5
123.11707	8.7
125.09647	1.0
127.11161	2.3
128.06204	18.4
129.07320	31.3
130.06844	1.2
130.07797	1.4
131.01692	1.3
131.04910	1.9
131.08551	14.6
132.01135	31.8
133.10103	4.0
135.04375	2.4
135.11664	1.1
137.09592	1.1
141.06935	8.9
142.07758	10.6
143.08540	31.3
143.09634	1.8
144.09357	4.0
145.06491	8.0
145.10092	6.0
147.08032	1.8
147.11670	19.0
147.54161	0.9
148.12123	1.1
149.05981	2.5
149.13283	1.4
153.06985	12.4
154.07780	4.0
155.05989	1.0
155.08527	21.3
156.08392	29.7
157.10100	15.9
158.10838	1.6
159.04723	16.7
159.08029	9.7
159.11674	12.0
161.05989	1.7
165.07034	1.4
165.12735	8.1
167.08559	3.6
167.14270	1.2
168.09329	32.4
169.06436	1.6
169.10112	5.2
169.12199	1.9
171.07967	4.7
171.11700	1.3
172.08878	1.0
173.05937	9.0
173.09622	2.8
173.11797	1.8
173.13286	5.9
175.11165	3.2
178.07852	1.2
181.06479	1.4
181.10098	2.7
183.09518	100.0
183.11687	66.6
184.09818	2.2
184.12218	1.6
185.06230	1.5
185.09642	1.3
185.13266	3.6
186.10374	1.8
187.07564	5.5
187.11168	12.7
193.10144	2.7
196.08900	3.1
201.09038	1.8
201.12711	16.5
202.08948	60.5
203.09315	1.2
211.11182	11.7
211.15056	1.4
211.16975	3.8
214.09828	1.0
223.68211	0.9
228.99266	1.3
229.10039	22.5
229.12250	48.7
229.14153	3.0
229.15959	3.9
229.19438	4.4
231.67776	1.0
247.13330	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	227.1639
Annotation	Annuionone G
Peak:m/z	Relative Intensity
52.82013	2.2
53.03930	5.6
55.01872	3.3
55.05507	24.6
57.03430	26.1
57.07059	8.7
59.04985	7.1
67.05495	31.3
69.03428	19.8
69.07061	26.5
70.98576	5.6
70.98928	3.7
71.04981	21.1
72.08133	4.1
74.30807	2.1
75.04497	2.6
79.05479	24.1
81.07047	47.9
83.04969	25.5
83.08614	15.0
84.04475	2.7
84.08143	3.6
85.02912	3.2
85.06531	7.5
86.09715	3.8
87.04430	5.2
91.05492	16.0
93.07037	29.9
95.04972	12.9
95.08594	34.5
97.06538	12.5
97.10175	7.6
98.97594	4.9
99.04435	9.7
99.08071	8.4
99.34624	2.7
100.11243	8.3
103.05453	3.0
105.07015	27.2
107.04919	6.2
107.08584	92.0
109.06495	22.2
109.10147	73.0
111.04453	4.6
111.08064	12.8
111.34007	2.6
116.98575	2.8
117.07002	3.8
119.08552	14.3
121.06491	9.4
121.10131	77.9
122.07271	5.1
123.04436	3.5
123.08028	9.3
123.11696	22.9
125.06008	2.6
125.09632	25.5
128.06184	2.8
129.09099	4.2
130.04973	5.2
131.08534	12.3
133.10117	28.6
135.08031	20.8
135.11665	19.0
137.09599	40.1
139.07550	4.8
139.11176	13.6
142.05075	3.3
143.08517	6.6
143.10690	6.7
145.10117	7.7
147.11647	13.2
149.05960	3.4
149.09615	10.3
149.13235	42.3
151.11168	100.0
153.09079	10.4
153.12729	7.3
155.08479	3.9
157.10159	3.9
158.10852	8.6
163.11159	3.6
163.14819	29.9
165.12744	7.5
167.07027	18.7
169.12218	33.7
173.13264	40.5
177.05499	8.0
181.04935	3.3
185.13402	2.5
191.14281	77.7
199.08696	8.3
199.11232	2.7
209.07956	4.6
209.11935	2.3
209.15274	17.2
227.10580	6.5
227.12656	4.7
227.16371	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	227.1639
Annotation	Annuionone G
Peak:m/z	Relative Intensity
53.18573	0.9
55.05506	5.9
57.03432	7.4
57.07067	2.9
58.34593	0.8
58.97218	1.0
59.04986	1.9
67.05502	6.0
69.03421	4.1
69.07052	6.1
70.87916	2.8
71.04986	13.6
73.06540	1.0
75.04480	2.5
79.05492	5.7
81.07056	12.4
82.06580	1.1
83.04936	2.3
83.08623	4.4
85.06549	4.6
86.09698	2.3
89.35448	0.9
91.05482	4.5
93.07034	11.7
95.04955	100.0
95.08591	10.4
96.05205	1.0
97.06525	15.0
97.10174	3.7
99.04440	20.6
99.08077	14.6
100.11258	3.9
102.28764	0.9
105.07002	6.2
107.08587	15.0
109.06510	13.2
109.10133	10.0
111.08065	4.1
115.07569	5.3
117.07022	1.4
119.08562	6.6
121.06533	1.3
121.10133	21.6
123.08042	2.3
123.11723	3.8
125.09612	6.0
127.07548	5.8
131.08551	2.7
133.10118	21.5
135.08049	3.5
135.11696	5.3
137.09586	2.7
139.11153	9.8
143.08519	1.5
143.10674	2.1
145.10143	1.7
147.11674	5.0
149.09619	1.5
149.13182	6.0
151.11159	5.7
153.09085	29.5
153.12744	1.2
158.10915	1.0
163.14771	5.4
167.07014	5.2
171.10153	9.7
173.13271	9.3
183.13895	1.1
191.14273	13.5
199.07637	1.3
209.15337	15.8
227.14314	1.2
227.16328	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	228.0865
Annotation	L-Arogenate
Peak:m/z	Relative Intensity
51.02367	0.8
51.16542	0.7
53.03941	2.7
55.05501	1.8
59.06127	0.9
60.04506	0.7
61.47597	0.6
63.35152	0.8
67.05479	3.3
67.36204	0.6
69.07064	3.3
69.83870	2.3
69.84296	2.3
70.06583	5.0
71.48074	0.6
71.62878	0.7
72.08147	2.1
74.02434	7.9
75.71877	0.7
77.03917	0.9
79.05488	100.0
80.05808	1.7
81.03426	1.0
81.07056	2.3
81.81014	0.6
83.05009	0.9
84.04528	1.2
84.08119	4.6
86.09698	3.9
87.00820	5.3
91.05487	1.8
91.49121	0.7
93.07069	1.3
94.06564	2.2
95.04952	5.3
96.08126	54.2
97.06519	5.5
98.21404	0.9
98.97575	1.1
100.11271	4.2
101.11589	3.8
104.03460	84.9
105.07039	3.4
107.04948	9.4
107.08611	1.2
109.02862	0.9
110.07191	1.2
112.07554	0.8
114.09169	3.1
115.05414	0.7
116.03439	4.4
116.07126	1.3
117.06995	0.8
119.04985	0.8
122.06023	9.8
124.07593	1.1
125.05992	10.5
128.06236	2.9
129.07025	1.8
129.10228	2.5
131.08598	1.9
135.04388	0.8
136.07663	1.0
137.06024	1.2
137.44891	0.8
138.09184	1.9
139.27359	0.7
140.07085	2.4
141.07011	2.0
142.07707	1.0
142.08646	9.8
143.08560	4.4
145.06497	0.9
153.07014	2.0
154.05092	0.7
155.08540	3.3
157.10117	1.4
158.08159	0.8
159.08119	1.1
159.11685	1.5
161.06059	0.8
164.07109	4.1
168.06491	1.7
168.09271	4.6
182.08121	83.0
183.08356	1.2
183.11691	11.8
187.11166	1.7
192.06537	0.8
200.09262	1.5
201.12791	2.1
210.07605	13.7
210.09373	1.1
210.11443	0.9
210.16917	1.7
211.11292	1.6
223.85458	0.7
228.08606	21.2
228.12410	2.4
228.17917	2.0
228.23183	7.1
229.12146	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	227.1639
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25565	2.1
53.03932	4.8
55.01852	5.3
55.05506	21.9
56.15181	2.2
57.03209	1.9
57.03436	26.5
57.07059	6.1
59.04972	2.1
60.54997	2.3
60.91314	1.9
62.46032	2.0
63.45414	2.0
67.05499	75.9
68.07170	1.9
69.03446	4.1
69.07058	26.4
71.01340	6.7
71.04971	8.5
71.07501	2.2
71.07806	4.3
71.08617	2.4
79.05487	64.5
81.03407	9.8
81.07053	38.1
83.04967	15.0
83.08595	10.2
85.06520	9.9
85.18977	2.9
91.05471	26.5
92.05791	3.6
93.07033	66.6
95.04955	11.8
95.08595	10.3
97.06525	20.9
97.10143	10.1
99.04378	2.6
99.08087	4.7
100.11225	8.0
105.07005	4.5
107.04932	5.7
107.07909	3.6
107.08588	46.8
109.10150	7.0
111.08074	3.2
117.06995	9.9
119.08554	11.1
121.06590	2.2
121.10110	19.0
122.35516	2.3
125.09638	6.4
129.06979	3.3
133.10109	3.7
135.08029	2.7
135.11678	100.0
137.09567	2.9
143.08513	6.1
145.10133	20.8
149.13275	3.9
153.12668	2.8
155.07007	2.7
159.11688	2.7
163.08516	2.2
163.11118	16.6
165.06990	2.6
166.07732	3.1
171.11667	2.5
181.10100	3.7
181.12230	22.6
227.10464	7.2
227.12593	4.0
227.14513	3.1
227.17924	6.4
227.20023	3.6
228.23187	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	227.1639
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25565	2.1
53.03932	4.8
55.01852	5.3
55.05506	21.9
56.15181	2.2
57.03209	1.9
57.03436	26.5
57.07059	6.1
59.04972	2.1
60.54997	2.3
60.91314	1.9
62.46032	2.0
63.45414	2.0
67.05499	75.9
68.07170	1.9
69.03446	4.1
69.07058	26.4
71.01340	6.7
71.04971	8.5
71.07501	2.2
71.07806	4.3
71.08617	2.4
79.05487	64.5
81.03407	9.8
81.07053	38.1
83.04967	15.0
83.08595	10.2
85.06520	9.9
85.18977	2.9
91.05471	26.5
92.05791	3.6
93.07033	66.6
95.04955	11.8
95.08595	10.3
97.06525	20.9
97.10143	10.1
99.04378	2.6
99.08087	4.7
100.11225	8.0
105.07005	4.5
107.04932	5.7
107.07909	3.6
107.08588	46.8
109.10150	7.0
111.08074	3.2
117.06995	9.9
119.08554	11.1
121.06590	2.2
121.10110	19.0
122.35516	2.3
125.09638	6.4
129.06979	3.3
133.10109	3.7
135.08029	2.7
135.11678	100.0
137.09567	2.9
143.08513	6.1
145.10133	20.8
149.13275	3.9
153.12668	2.8
155.07007	2.7
159.11688	2.7
163.08516	2.2
163.11118	16.6
165.06990	2.6
166.07732	3.1
171.11667	2.5
181.10100	3.7
181.12230	22.6
227.10464	7.2
227.12593	4.0
227.14513	3.1
227.17924	6.4
227.20023	3.6
228.23187	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	227.1639
Annotation	MKN-003C
Peak:m/z	Relative Intensity
52.89665	0.4
53.03936	1.3
55.01881	0.6
55.05507	4.5
56.02642	1.6
61.82623	0.4
65.03944	0.8
67.05499	23.1
69.07067	4.4
69.94769	1.7
69.95187	0.9
71.04987	100.0
72.05332	0.4
76.64296	0.5
79.05489	9.6
81.07052	33.8
82.07405	0.5
82.48228	0.4
83.04977	1.2
83.08614	3.3
85.06521	2.6
87.04463	0.5
91.05468	5.5
93.06433	0.7
93.07038	15.2
95.04993	2.0
95.08598	18.0
96.09010	0.4
97.06535	3.7
97.10172	1.4
99.08073	1.0
100.11251	0.8
105.07037	2.7
107.05013	0.5
107.08588	5.8
109.06518	1.3
109.10123	3.0
111.08078	2.4
113.05988	0.8
117.07020	3.5
119.08563	1.0
121.06499	0.9
121.10171	2.3
123.08060	0.5
123.11694	0.6
125.09655	1.1
131.08545	4.1
133.10124	4.5
135.08049	1.2
135.10651	0.5
135.11681	10.4
135.62123	0.5
136.12004	0.7
143.08478	0.5
149.13254	6.4
153.50432	0.4
157.10049	0.5
159.11688	6.4
175.14851	1.4
177.12688	2.4
195.13885	1.5
209.15428	1.7
227.10713	0.7
227.16135	0.5
227.18152	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1639
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.3
55.05507	19.1
56.13484	0.5
56.80439	0.5
57.03439	1.3
57.07074	10.4
57.07357	1.0
58.33257	0.5
65.03937	0.5
65.62843	0.5
67.05500	4.8
67.55722	0.5
69.03436	1.2
69.07066	3.8
69.74297	0.9
69.74708	3.5
71.04977	1.1
79.05483	4.0
81.07052	6.6
83.04969	8.5
83.08593	0.6
85.06546	6.2
91.05452	4.5
93.07040	14.8
93.68435	0.5
95.04942	1.4
95.08601	13.8
97.06525	7.9
98.21469	0.9
100.11272	0.6
105.07015	4.6
107.04956	1.0
107.08585	21.4
109.06517	5.9
109.10159	3.6
111.04433	100.0
111.08070	5.0
112.04781	1.3
112.17088	0.5
113.06003	1.6
117.07023	2.7
119.08541	1.6
121.06490	3.5
121.10122	2.8
122.07293	1.0
122.42713	0.6
123.08054	1.4
125.05979	37.8
125.09577	0.6
126.06291	0.7
127.07546	2.9
130.07771	1.6
135.08049	14.8
135.11681	23.4
136.08333	0.6
137.09605	0.8
137.13275	1.2
138.06731	0.9
139.07510	4.1
143.08490	1.4
145.10115	21.6
153.12737	6.6
154.04965	0.6
163.11172	25.8
171.11584	0.6
181.12219	71.2
182.12579	1.2
185.17853	0.6
209.15327	1.7
227.10614	0.9
227.16414	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1639
Annotation	MKN-003C
Peak:m/z	Relative Intensity
53.03933	2.0
55.05502	9.3
57.03438	4.7
57.07058	4.0
59.04987	7.7
62.74579	1.8
64.84407	1.6
67.05499	9.5
68.48277	1.7
68.82472	1.8
69.03433	3.4
69.07070	14.3
69.90446	11.8
69.98261	1.8
71.04985	26.3
72.08148	1.9
73.06573	1.9
77.95728	1.7
79.05485	8.0
81.07047	18.8
83.04959	5.8
83.08612	5.1
83.50246	1.7
85.06546	10.5
86.09702	5.2
91.05460	8.0
93.07038	26.9
95.04961	100.0
95.08604	21.6
96.05331	1.9
97.06522	21.5
97.10144	4.2
99.04460	16.7
99.08082	36.3
99.80424	2.3
100.11248	8.5
105.07008	11.9
107.08581	27.9
109.06505	22.0
109.10135	14.3
111.04414	1.9
111.08079	7.6
113.09641	3.7
114.20335	1.9
115.07565	12.5
119.08574	9.0
121.10126	23.2
123.08089	3.7
123.11710	7.7
125.09615	12.2
127.07555	19.9
131.08562	7.2
133.10123	44.2
135.08041	7.6
135.11670	8.2
137.09639	2.7
139.11177	20.1
143.01910	1.8
143.08563	2.5
143.10655	4.8
145.10103	4.2
147.11685	8.1
149.09627	3.8
149.13266	14.1
151.11165	6.9
153.09102	31.9
163.14835	6.7
163.87639	1.7
167.06969	2.6
167.10583	1.8
171.10153	16.9
173.13240	20.2
183.13899	2.0
191.14316	13.0
209.15346	17.8
227.16370	53.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1638
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	2.3
55.01849	3.0
55.05280	1.0
55.05502	14.0
56.02633	1.0
57.03415	1.8
57.07055	1.8
65.03905	1.1
65.82977	0.9
67.05145	1.5
67.05492	26.8
69.03397	1.6
69.07059	5.4
69.07375	0.9
71.04981	100.0
71.74540	2.1
79.05493	13.9
81.03376	1.6
81.07044	32.5
82.07401	1.2
83.04984	2.2
83.08598	6.3
84.08150	0.9
85.06509	3.4
91.05472	8.4
92.05784	1.5
93.07028	17.1
95.04968	2.4
95.08588	16.6
97.06504	4.4
97.10146	7.2
99.08083	1.4
100.11214	3.8
104.60609	1.0
105.07005	3.3
107.08573	10.3
109.06509	3.3
109.10143	3.0
111.08039	2.7
117.07005	5.4
119.08546	1.9
121.06544	2.0
121.10120	3.5
125.09595	8.4
128.06184	1.8
129.07001	1.3
131.08507	6.7
133.10081	3.3
135.08043	1.9
135.11662	9.4
143.08528	2.8
147.11610	1.2
149.13205	5.7
153.07048	1.1
153.09033	1.7
155.08528	1.7
155.81288	1.2
157.10104	1.2
159.11668	7.4
167.07066	2.2
168.09375	1.3
171.08037	1.4
171.11646	2.6
177.12683	2.2
185.13298	1.4
189.11154	3.2
195.13849	1.9
199.11205	2.9
199.62207	1.0
209.11636	1.4
209.15222	1.1
220.45107	1.0
227.07028	2.6
227.10605	5.8
227.12744	10.0
227.14656	1.4
227.17767	4.3
247.31630	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1638
Annotation	MKN-003C
Peak:m/z	Relative Intensity
53.03920	1.8
55.01849	2.3
55.05503	11.7
57.03431	7.3
57.07062	2.8
58.06601	1.2
59.04980	3.0
67.05502	8.0
69.03417	6.2
69.07058	12.9
70.06587	5.5
71.04984	19.3
71.49602	2.5
72.08137	5.2
73.06535	1.9
75.04501	1.6
79.05472	6.5
81.07047	12.9
83.04959	4.1
83.08602	7.6
84.04498	1.3
84.08136	2.9
85.02868	1.5
85.06546	8.1
86.09701	11.8
91.05453	7.7
93.07030	15.8
95.04956	100.0
95.08588	11.8
95.68749	1.5
97.06513	18.1
97.10166	5.6
99.04450	14.0
99.08083	24.3
100.11252	18.2
101.06048	1.4
103.05445	1.7
105.07022	7.5
107.04958	3.4
107.08586	16.6
109.06509	15.2
109.10135	7.7
111.04430	2.0
111.08074	5.4
113.05998	1.7
113.09658	1.7
115.07559	4.3
116.07059	1.3
116.98656	1.3
117.06928	1.5
119.08547	6.4
121.06516	2.9
121.10134	17.5
123.04419	2.8
123.08015	5.7
123.11713	6.3
124.03947	1.3
125.09624	15.6
127.07562	9.0
131.08507	5.7
133.10115	26.7
135.08038	4.2
135.11700	6.8
137.05946	2.8
137.09593	1.6
139.07486	3.0
139.11151	10.9
140.04704	1.4
141.07054	1.7
142.03162	2.0
143.08539	1.6
143.10655	5.4
145.10126	2.0
147.11661	5.1
149.06000	4.3
149.09628	2.4
149.13261	7.0
151.11177	2.0
153.05481	1.2
153.09094	27.1
155.06984	1.8
155.08466	1.7
158.10857	1.7
163.11145	1.6
163.14809	3.6
167.07014	27.0
167.14339	1.9
170.10970	1.3
171.10162	16.9
173.13210	11.5
177.05515	3.2
178.06261	3.5
181.10059	2.0
191.14290	8.5
195.06529	3.0
199.07544	1.6
199.11218	2.7
201.83615	1.3
209.08098	4.3
209.15222	13.9
210.11218	2.0
227.06964	1.7
227.10693	2.7
227.16289	34.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1275
Annotation	12-Hydroxyjasmonic acid
Peak:m/z	Relative Intensity
53.03925	4.8
55.01864	10.3
55.05508	27.6
57.03438	4.1
57.07072	3.4
67.05498	27.4
69.03426	4.5
69.07072	19.1
71.04983	4.4
71.46571	4.7
71.46918	6.5
73.02914	4.3
79.05486	35.3
79.50862	2.9
81.03373	6.6
81.07057	34.0
83.04984	10.5
83.08614	15.7
91.05482	17.8
93.07027	55.1
95.04952	11.3
95.08594	69.2
97.02885	4.0
97.06514	9.0
97.10153	4.3
99.04462	8.7
100.11222	5.5
103.05444	3.3
105.07036	11.2
107.04960	16.2
107.08581	44.2
109.06522	6.6
111.08114	3.8
113.05965	3.4
117.06997	9.7
119.08598	12.8
121.06515	15.6
121.10153	18.1
125.05984	5.9
135.11674	72.9
143.08521	4.1
145.10103	41.7
157.10176	7.1
163.11168	96.3
166.07729	4.5
167.07036	24.7
174.16650	2.9
177.05530	7.4
181.12175	22.8
227.10756	4.0
227.12732	100.0
227.14754	5.2
227.17931	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	227.1638
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	2.3
55.01849	3.0
55.05280	1.0
55.05502	14.0
56.02633	1.0
57.03415	1.8
57.07055	1.8
65.03905	1.1
65.82977	0.9
67.05145	1.5
67.05492	26.8
69.03397	1.6
69.07059	5.4
69.07375	0.9
71.04981	100.0
71.74540	2.1
79.05493	13.9
81.03376	1.6
81.07044	32.5
82.07401	1.2
83.04984	2.2
83.08598	6.3
84.08150	0.9
85.06509	3.4
91.05472	8.4
92.05784	1.5
93.07028	17.1
95.04968	2.4
95.08588	16.6
97.06504	4.4
97.10146	7.2
99.08083	1.4
100.11214	3.8
104.60609	1.0
105.07005	3.3
107.08573	10.3
109.06509	3.3
109.10143	3.0
111.08039	2.7
117.07005	5.4
119.08546	1.9
121.06544	2.0
121.10120	3.5
125.09595	8.4
128.06184	1.8
129.07001	1.3
131.08507	6.7
133.10081	3.3
135.08043	1.9
135.11662	9.4
143.08528	2.8
147.11610	1.2
149.13205	5.7
153.07048	1.1
153.09033	1.7
155.08528	1.7
155.81288	1.2
157.10104	1.2
159.11668	7.4
167.07066	2.2
168.09375	1.3
171.08037	1.4
171.11646	2.6
177.12683	2.2
185.13298	1.4
189.11154	3.2
195.13849	1.9
199.11205	2.9
199.62207	1.0
209.11636	1.4
209.15222	1.1
220.45107	1.0
227.07028	2.6
227.10605	5.8
227.12744	10.0
227.14656	1.4
227.17767	4.3
247.31630	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1274
Annotation	12-Hydroxyjasmonic acid
Peak:m/z	Relative Intensity
51.53088	0.9
53.03946	1.2
55.01867	33.6
55.05505	7.7
57.03418	4.3
57.07067	5.9
59.04998	1.1
60.04520	1.0
65.03925	2.0
67.05497	15.1
69.03434	5.2
69.07062	22.9
69.81050	5.7
70.06591	0.9
71.04982	9.0
72.08140	5.6
79.05486	11.6
81.03402	2.7
81.07043	13.4
83.04980	4.1
83.08590	4.3
84.08121	2.7
85.06528	21.3
86.09699	9.1
87.04488	0.9
91.05466	10.1
92.05772	1.0
93.07034	21.4
95.04951	13.9
95.08591	25.0
96.08149	1.0
97.06522	22.9
97.10157	2.0
98.20795	1.7
99.04459	11.3
99.08097	3.2
99.09213	0.9
100.11250	15.3
103.05459	1.0
105.07018	14.7
107.04929	4.2
107.08582	35.8
109.06506	13.1
109.10135	4.3
109.56528	0.8
111.04427	1.7
111.08077	2.5
112.68296	0.9
113.05995	6.1
115.07555	2.4
117.06988	2.5
119.08588	5.4
121.02846	2.5
121.06507	7.6
121.10123	15.3
123.08057	18.2
123.11729	2.7
125.05982	1.8
125.09642	3.5
127.07524	2.2
128.06270	1.8
131.08572	2.3
133.06494	2.1
133.10107	6.1
135.08080	2.4
135.11691	6.0
137.06018	1.5
137.09645	2.5
139.07550	1.5
139.11156	4.3
140.04707	1.5
142.12248	1.6
143.08563	1.9
143.10681	1.1
143.56563	0.9
145.10118	11.1
147.11739	1.8
149.05984	1.5
149.09583	4.4
149.13245	1.7
151.07533	13.8
151.11162	2.7
153.06976	1.0
153.09117	3.1
155.08534	1.7
159.14880	2.3
163.03787	1.4
163.11172	21.8
163.14841	1.6
167.03397	6.3
167.07033	7.4
167.10643	8.4
167.11827	0.9
169.08583	100.0
170.08966	1.1
171.10147	2.1
173.09627	1.9
173.13234	2.4
177.05447	2.5
181.04924	1.1
181.10181	2.6
181.12244	7.6
183.13742	1.3
185.11787	1.8
189.80634	0.9
191.10666	9.5
191.14345	2.8
199.11279	1.3
209.08047	2.7
209.11674	5.9
209.15230	1.5
227.06960	4.3
227.10744	2.9
227.12839	4.2
227.16423	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	227.1274
Annotation	11-Hydroxyjasmonic acid
Peak:m/z	Relative Intensity
53.03940	1.5
55.01862	2.8
55.05505	9.4
56.96545	1.7
57.03418	2.9
57.07070	6.8
57.76781	1.2
61.31032	1.1
65.03925	5.1
67.05497	29.7
69.03413	3.3
69.07055	11.2
70.06573	4.3
71.04979	16.1
71.75418	1.9
78.98148	1.2
79.05484	27.0
81.03397	2.1
81.07041	9.1
83.04959	7.0
83.08611	4.6
84.04521	1.3
84.08151	1.5
85.02911	2.0
85.06531	100.0
86.09692	14.9
87.04454	1.7
91.05471	18.6
93.03380	1.6
93.07029	26.1
95.04954	11.7
95.08587	2.8
97.06506	4.6
98.97574	1.4
99.04409	1.4
99.08066	4.2
100.11247	24.2
105.07011	21.3
107.04931	13.9
107.08579	30.0
107.71464	1.2
109.06502	6.1
109.10149	2.4
110.07138	1.9
111.04431	15.7
111.08074	1.6
113.06036	1.4
116.06215	1.7
116.98660	1.9
117.07002	7.4
119.08557	18.7
121.06491	16.4
121.10130	20.2
123.04418	2.2
123.08084	2.9
125.05968	10.5
127.03866	2.3
128.06192	1.7
129.06996	9.5
130.07797	1.5
131.08545	69.2
133.10164	2.2
134.99641	1.9
135.04358	1.7
135.08057	3.7
135.11726	6.3
137.05968	2.7
137.09605	7.7
141.05385	1.2
143.08536	1.7
145.06517	2.1
145.10103	28.2
147.07999	6.4
147.11601	1.9
148.05203	1.6
149.05920	3.7
149.09599	67.6
153.05478	10.1
153.09055	1.6
155.07050	3.6
155.08490	2.4
163.07515	2.0
163.11174	22.6
165.09116	9.9
167.06998	6.8
167.10651	30.6
173.09622	8.1
179.10640	1.6
181.04926	1.4
191.10645	58.9
199.11182	2.4
209.08185	2.0
209.11699	46.9
209.16510	3.4
227.07011	3.2
227.10558	4.6
227.12679	17.9
227.17622	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	226.1435
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38532	1.6
53.03919	4.2
55.01841	1.7
55.05499	10.0
56.96563	2.9
57.03432	2.2
57.07053	2.0
65.03929	4.3
67.05497	33.5
68.05022	12.1
69.07043	1.9
70.06584	77.5
71.01357	1.8
71.04983	3.0
71.74114	1.7
72.08131	3.7
73.17672	1.6
73.70925	1.6
79.05465	7.3
81.03398	3.6
81.07034	6.2
82.06539	2.8
83.04971	1.7
83.08572	2.0
84.08133	68.5
85.02911	1.8
91.05471	21.4
93.06511	1.8
93.07039	17.6
94.06538	2.0
95.04967	10.0
95.08575	5.7
96.08167	2.0
97.02836	2.1
100.07601	10.1
105.04429	2.2
107.04960	11.8
109.06492	2.0
110.06048	10.9
110.07148	1.7
111.08054	3.4
111.91104	1.6
114.05519	16.5
116.06283	3.0
116.07080	49.2
117.05679	2.3
118.06529	1.8
119.04893	2.3
120.05605	13.2
125.07133	1.8
128.07060	12.6
130.06548	2.8
142.03250	1.7
143.08560	1.6
145.63657	1.5
146.40263	1.5
156.08054	1.8
164.11446	2.3
167.06956	3.4
170.09538	2.1
176.04195	2.1
177.05424	1.8
180.07988	7.0
180.13818	100.0
181.14156	1.8
183.06757	4.0
198.09140	2.3
208.07587	3.9
208.09418	1.8
209.12744	2.4
226.04698	1.9
226.09717	22.8
226.14331	67.2
227.06783	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	226.1083
Annotation	6-Benzylaminopurine
Peak:m/z	Relative Intensity
51.02359	0.1
60.73852	0.1
62.53572	0.1
65.03931	1.7
71.20349	0.2
91.05468	100.0
91.68835	0.1
92.05796	1.3
148.06157	1.8
153.16553	0.1
184.08670	0.2
209.08003	0.1
213.93378	0.1
226.10844	54.9
227.11171	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1482
Annotation	3-Oxo-2-(2Z-Pentenyl)cyclopentyl propionic acid
Peak:m/z	Relative Intensity
55.01847	1.3
55.05501	7.3
56.96549	2.9
57.03426	1.6
57.07081	7.3
59.04996	1.3
63.06062	1.3
64.79550	1.3
65.03957	1.1
67.05498	11.2
69.03400	1.5
69.07070	6.5
69.18507	1.1
69.69675	5.7
69.70111	4.8
70.06586	2.6
70.31175	1.3
71.04968	4.8
71.08604	1.8
72.59258	1.2
79.05486	16.0
81.03381	3.3
81.07046	13.8
83.04971	7.0
83.08592	3.0
85.06500	3.5
91.05467	18.6
91.06306	1.2
93.07040	14.0
95.04979	7.1
95.08590	10.3
97.06512	2.6
97.10147	2.3
98.20731	2.6
99.04420	5.4
99.08086	1.5
101.94987	4.5
105.03384	6.0
105.06995	8.7
107.04936	3.0
107.08551	4.9
107.53233	1.4
109.06486	7.1
109.10123	5.0
111.08018	1.8
119.04976	1.5
119.08568	7.2
119.96039	1.4
121.06391	1.7
121.10103	4.7
123.04475	1.6
123.08024	4.5
123.11691	1.9
129.06982	3.6
133.10077	4.1
135.08038	1.4
137.09570	2.4
137.97076	3.8
141.06981	1.9
143.08507	1.5
145.10095	1.4
147.04399	1.5
147.08038	2.6
147.11662	7.0
149.05951	2.0
149.09592	2.8
151.07469	2.5
151.09319	1.2
159.54587	1.3
160.98703	2.7
161.09651	1.7
161.13193	4.1
163.11076	1.6
165.12746	1.6
167.10658	1.7
169.10066	2.8
171.11647	4.2
177.09042	1.5
179.05977	1.3
179.08897	1.5
179.14261	1.4
183.06743	1.5
183.11641	2.1
189.12750	3.4
193.09921	1.4
195.10085	3.4
197.05772	1.6
201.59648	1.4
202.10420	2.1
206.66653	1.6
207.13741	5.8
210.12518	4.0
225.03929	1.5
225.09088	5.5
225.13110	3.9
225.14806	100.0
226.10953	2.6
226.15120	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	225.1483
Annotation	MKN-003A
Peak:m/z	Relative Intensity
51.55595	1.2
55.01873	1.3
55.05505	6.0
57.03424	1.8
57.07074	5.8
59.04983	3.5
65.03929	1.2
65.17007	0.9
67.04515	1.0
67.05497	8.2
69.03416	5.1
69.07059	8.8
70.06581	2.2
71.01347	2.9
71.04984	39.2
71.74880	1.3
71.75315	1.0
72.08144	2.4
77.03897	1.1
79.05472	5.7
79.75849	1.0
81.03394	2.5
81.07053	14.7
83.04967	6.4
83.08597	7.5
84.08120	1.8
85.02898	3.7
85.06541	4.2
91.05471	29.5
93.07027	7.0
95.04949	6.8
95.08595	14.8
97.02866	1.9
97.06518	14.5
97.10150	1.7
99.04444	100.0
99.08090	2.3
105.03379	4.2
105.07022	7.5
107.04961	2.9
107.08583	36.8
109.02862	1.3
109.06506	27.9
109.10163	5.0
111.04470	1.3
111.08045	2.2
111.11697	2.4
113.05991	1.3
113.09632	6.2
119.04953	1.9
119.08565	8.0
121.06513	3.0
121.10147	18.6
123.04424	1.7
123.08063	19.7
123.11695	19.8
125.05991	2.5
125.09651	7.8
127.07566	1.2
129.06960	1.5
131.08575	1.8
133.10130	4.0
135.11710	1.8
137.05963	2.5
137.09590	2.5
137.13251	5.0
139.03908	1.8
139.07547	1.3
139.11188	5.1
141.06992	1.1
141.12738	2.4
145.10069	1.8
147.04411	2.3
147.08061	1.7
147.11676	8.3
149.09605	13.1
151.03893	1.2
151.07549	2.9
152.06297	1.8
153.05690	1.4
153.06981	3.5
154.07756	1.5
155.08536	2.4
155.10680	1.2
161.13263	3.4
163.11203	3.7
165.05428	1.5
165.07005	1.4
165.09093	3.6
165.12756	16.8
167.07054	3.4
167.08510	1.5
167.10670	27.8
169.10092	2.0
175.03831	2.1
179.08656	1.4
179.10516	1.0
179.14288	1.6
180.04182	2.4
181.06450	6.7
181.10155	1.5
181.12158	1.6
183.11977	2.1
183.13782	43.4
189.12706	5.1
189.16289	1.5
192.04094	1.1
197.09651	1.6
197.13240	1.8
207.06439	2.1
207.13777	8.6
210.14046	1.2
214.08595	1.2
225.07260	1.3
225.09262	5.8
225.12756	2.2
225.14674	19.1
226.10974	10.0
227.04045	1.8
229.94395	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1484
Annotation	Apiosporic acid
Peak:m/z	Relative Intensity
53.03938	3.9
55.01854	3.5
55.05502	20.6
57.03422	6.7
57.07068	10.7
58.46368	2.8
59.04996	8.6
62.39312	3.5
67.05508	30.1
69.03424	13.9
69.07059	14.5
70.06583	6.0
71.04986	27.3
71.08639	4.0
71.72672	4.5
72.08178	5.1
79.05488	32.2
81.03418	7.7
81.07050	66.3
83.04977	36.9
83.08620	20.0
84.08143	4.2
85.02900	87.5
85.06533	9.0
86.09704	7.2
87.04457	7.4
91.05467	28.6
93.07037	22.4
93.31905	3.0
95.04967	36.2
95.08597	66.8
95.47211	3.1
97.02893	11.4
97.06525	34.3
97.10148	5.1
98.97574	4.7
99.04448	45.0
101.06066	3.7
105.03396	8.8
105.07007	35.5
107.04930	9.4
107.08585	54.6
109.06515	100.0
109.10139	33.1
111.04401	6.3
111.08073	11.4
117.07015	5.6
119.04923	10.2
119.08592	41.3
121.06517	8.9
121.10130	52.1
123.04426	12.1
123.08060	73.4
123.11688	71.5
125.05976	32.8
125.09621	12.9
131.08589	10.8
133.10149	13.7
135.08049	9.8
135.11664	11.9
137.05983	7.6
137.09613	23.0
139.11087	3.5
141.07007	4.8
145.10115	7.6
147.08034	7.5
147.11702	27.7
149.09628	27.8
151.07513	13.5
151.11186	9.9
153.05450	3.8
153.09155	4.7
155.08553	4.0
156.09372	6.6
160.59032	3.9
161.09631	7.1
161.13260	19.1
163.11185	24.7
165.09109	7.3
165.12810	13.8
167.10643	9.7
171.11658	12.7
174.37946	3.6
179.14220	8.1
181.12140	5.9
183.06610	7.8
183.11665	3.7
183.13799	9.6
189.12737	27.2
207.06511	7.1
207.10083	4.1
207.13760	50.4
225.07356	5.5
225.09238	6.3
225.14804	40.0
225.16429	3.8
232.71317	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	225.1484
Annotation	Sundiversifolide
Peak:m/z	Relative Intensity
53.03928	7.5
55.01870	3.8
55.05500	18.6
57.03431	24.0
57.07060	5.4
59.04982	11.4
63.68252	3.0
65.03935	4.9
67.05498	30.5
69.03419	26.9
69.07066	17.2
70.06585	3.6
70.88078	6.6
70.88440	7.3
71.01348	5.2
71.04987	13.1
72.08151	9.7
75.04473	21.4
79.05483	42.1
81.03395	5.1
81.07042	53.3
82.18568	2.8
83.04967	35.5
83.08627	10.4
84.08156	5.9
85.02908	4.5
85.06565	4.0
87.04457	8.7
91.05475	30.0
93.07038	32.8
95.04964	19.4
95.08589	43.0
97.02886	6.7
97.06517	28.8
97.10166	3.9
99.04442	12.8
105.03390	5.4
105.07014	39.0
107.04972	9.4
107.08584	52.0
109.06505	62.9
109.10131	41.9
111.04427	39.9
111.08073	25.1
117.07001	6.2
119.04970	4.4
119.08567	36.1
121.06503	11.3
121.09268	4.6
121.10133	57.3
122.07290	6.5
123.08065	36.0
123.11674	16.7
125.05981	7.3
125.09637	7.3
131.00391	3.5
131.08556	6.7
133.06554	4.9
133.10100	19.3
135.08076	15.1
135.11682	12.5
137.06017	6.2
137.09607	47.2
139.07509	3.5
139.11165	20.4
145.10143	15.1
147.04382	3.7
147.08055	8.5
147.11690	19.6
149.09602	100.0
151.07538	13.4
151.11162	89.0
159.08035	3.8
160.58684	3.2
161.09561	3.8
161.13261	18.3
163.11179	22.4
165.09074	5.9
165.12762	13.5
167.06956	6.5
167.10666	11.1
171.11636	7.5
174.10434	6.8
175.03912	4.5
181.12238	10.0
189.12686	19.8
207.06409	5.1
207.13773	18.8
225.04008	3.3
225.09244	6.5
225.14696	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	225.0754
Annotation	2-Benzylmalic acid
Peak:m/z	Relative Intensity
51.04147	0.7
53.03930	1.3
55.01862	2.6
55.05497	3.1
57.03417	1.1
57.07053	1.2
63.68285	0.8
65.03934	4.0
67.05492	3.5
69.03419	2.6
69.07049	2.1
70.06592	1.9
70.75627	1.7
70.76022	1.7
71.04970	4.4
72.08154	2.0
77.03927	2.6
78.04720	0.9
79.05483	5.0
80.06260	1.2
81.03416	2.6
81.07047	6.7
83.04972	3.9
83.08620	1.0
84.04504	1.1
84.08134	1.6
85.02879	2.1
85.06555	1.9
89.03905	2.6
91.05467	62.7
93.07044	4.9
94.19561	0.7
95.04955	11.9
95.08602	5.9
97.06499	4.2
99.04439	10.4
103.05439	3.6
104.51296	0.8
105.03393	5.4
105.07001	4.2
106.06537	1.3
107.04931	5.2
107.08601	5.8
108.05704	1.2
109.06503	5.5
109.10133	2.2
110.05943	0.8
111.04373	1.0
111.08060	1.3
118.04147	8.4
119.04926	69.2
119.08580	2.9
121.02886	2.5
121.06484	3.4
121.10139	5.5
123.04419	6.1
123.08054	6.5
123.11720	2.5
125.05995	4.4
125.09605	1.7
127.03908	1.1
127.07556	1.0
131.04918	1.5
132.02061	5.2
133.02838	1.9
133.06476	1.5
133.10104	1.9
134.06009	3.5
135.04431	5.0
135.11664	1.4
136.05162	3.6
136.07571	1.0
137.05922	4.8
137.09628	2.6
140.04683	1.1
140.07132	1.0
145.02850	1.7
146.03601	3.1
147.04385	52.2
147.07993	1.0
147.11671	2.3
149.02296	8.8
149.05960	1.3
149.09567	4.0
151.03873	1.4
151.07532	3.2
151.11200	1.5
153.05426	2.2
155.07030	2.3
157.03943	4.7
161.13266	1.8
162.05495	7.5
163.03932	3.4
163.11156	6.3
164.04668	7.0
164.06987	5.5
165.01813	1.2
165.05455	2.7
165.12747	2.0
167.07022	1.3
167.10657	2.6
169.08513	1.0
174.03061	1.6
175.03880	83.4
176.04262	1.6
177.01820	2.7
178.02534	0.9
179.06970	8.8
179.08286	0.8
179.10564	1.1
179.14317	1.9
180.04214	4.7
180.06531	4.8
181.08543	1.5
181.12253	1.1
183.06497	4.9
183.13786	2.7
189.12724	2.1
190.04967	1.0
192.04155	28.3
193.04903	4.9
195.06520	1.8
197.06059	0.8
207.06427	100.0
207.13760	5.0
208.06001	15.3
208.07802	1.1
211.81853	0.9
225.04028	1.3
225.07350	6.6
225.09393	0.7
225.14806	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	225.0756
Annotation	2-Benzylmalic acid
Peak:m/z	Relative Intensity
50.99095	1.0
53.03933	2.1
54.35690	1.1
55.01859	2.6
55.05497	2.9
56.05016	1.2
56.96552	1.6
57.03410	1.6
65.03935	5.9
67.05484	4.4
68.99747	0.9
69.03413	2.2
69.07044	2.8
69.97380	6.4
70.06592	6.0
71.04975	3.9
72.08125	1.3
73.02869	1.1
77.03913	1.8
79.05502	5.6
81.03419	1.3
81.07059	6.7
83.04970	2.5
83.08617	1.7
84.04482	2.2
84.08144	6.2
85.02876	2.7
85.06499	1.3
86.09689	3.9
89.03898	2.6
91.05473	63.5
93.07040	3.3
95.04956	10.6
95.08588	4.3
97.02872	3.0
97.06523	1.9
98.09666	1.9
99.04455	3.0
103.05463	5.5
105.03355	5.4
105.07015	3.5
107.04945	5.2
107.08558	3.2
109.02879	1.8
109.06525	4.0
109.10160	2.8
110.07156	1.7
111.04414	3.7
111.09182	1.2
117.06979	1.2
118.04164	7.8
119.04932	64.8
119.08562	3.9
120.05486	1.7
120.08092	4.2
121.02857	1.5
121.06504	2.5
121.10122	1.8
122.03633	1.5
123.04433	5.4
123.05331	0.9
123.08046	2.5
123.11642	1.9
125.06013	1.9
127.03911	2.3
129.03378	1.4
129.10197	2.8
132.02057	4.6
133.02856	1.9
133.06491	1.7
133.10071	1.5
135.04440	3.1
136.05191	2.8
137.05945	3.6
137.09506	1.4
138.05447	1.3
139.03862	1.9
145.02866	1.7
146.03604	2.8
147.04393	56.7
149.02316	8.2
149.05981	2.4
149.09537	2.0
150.03011	1.2
151.03848	2.6
151.07489	2.8
153.05452	2.3
155.07002	1.3
157.03926	3.6
161.05975	1.2
161.09616	2.2
161.13245	1.2
162.03008	1.1
162.05437	2.0
163.03886	2.6
164.04672	7.9
164.07021	3.4
165.05437	3.3
165.12823	1.2
167.10652	1.8
174.03192	1.2
175.03893	85.3
177.01799	3.8
179.03387	1.9
179.06984	12.1
179.08420	1.4
179.10594	1.2
180.04219	1.2
183.06508	4.0
189.12808	1.8
192.04161	29.7
193.04874	2.5
197.09430	1.3
207.06497	100.0
207.13855	1.7
208.06232	2.3
213.55743	2.7
218.04922	1.1
225.04077	3.9
225.07460	4.1
225.09085	3.9
225.14806	1.7
225.19571	1.9
227.02179	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.0716
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05485	0.6
56.05033	1.2
56.50664	0.5
56.96557	3.4
57.07069	1.3
62.71767	0.5
62.72757	0.5
67.05512	1.6
70.21820	2.3
74.91418	0.6
77.00892	0.5
79.05478	0.8
80.05019	0.8
81.03416	0.6
81.07037	1.5
82.99870	1.0
83.06093	0.9
84.04495	1.0
84.08123	3.1
84.96006	3.8
92.93314	0.6
93.07084	0.6
95.04941	1.4
95.08598	1.3
97.06480	0.5
97.07625	0.8
98.97577	1.5
99.04441	1.3
101.00866	6.6
102.97061	0.9
105.03372	2.6
105.07006	0.9
106.56876	0.6
107.08575	1.2
109.06483	0.8
116.98585	2.7
118.03506	1.4
119.01905	65.3
119.08551	0.7
120.02004	3.0
121.01639	0.8
122.97739	0.7
123.11731	0.8
129.10229	1.0
130.03448	0.8
133.03468	0.7
134.99762	6.8
136.04501	1.1
137.02937	28.4
138.03085	1.4
139.03865	0.8
140.98795	1.3
142.03481	7.8
153.00877	4.5
155.00221	0.7
157.03494	0.8
158.06654	0.7
158.99837	3.9
159.06099	0.7
160.02676	0.6
160.04526	4.3
161.02908	3.4
161.04909	0.7
167.10648	0.7
173.01225	1.5
176.02528	1.0
176.07695	0.8
177.00926	100.0
178.01028	12.5
178.05467	0.7
179.00655	4.1
179.04005	4.7
182.99794	2.7
183.01382	1.0
183.06200	1.6
184.02107	0.8
184.04439	3.0
193.04053	1.0
195.02011	2.3
197.09567	0.7
199.02968	0.8
200.02512	4.4
201.00792	9.3
201.02449	4.7
201.05814	0.7
202.00879	1.0
202.02582	2.4
202.05605	2.0
202.09106	1.0
203.02161	0.6
203.04004	0.6
207.01302	0.7
207.06404	0.8
207.13780	0.7
217.04050	9.0
218.03668	1.6
219.01961	84.6
219.94601	0.9
220.02078	17.7
220.04086	1.1
221.01750	3.5
225.00554	3.1
225.02663	1.2
225.04279	1.5
225.09184	1.4
225.19595	0.9
227.04021	0.9
233.03549	0.9
237.95454	1.2
240.05595	0.7
242.03543	5.8
243.01855	13.0
243.10739	0.9
244.02159	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1691
Annotation	Rumphellolide F
Peak:m/z	Relative Intensity
52.75512	0.8
53.03934	1.6
55.01880	1.1
55.05502	7.5
57.07063	1.0
65.03928	1.9
67.05499	65.6
69.07062	3.5
70.79470	0.7
71.05000	1.9
71.73981	1.1
78.38622	0.9
79.05487	16.8
81.03435	0.9
81.07050	90.9
83.04984	2.1
83.08619	4.4
85.02905	1.1
85.06548	2.0
91.05446	5.2
93.07043	20.0
95.04955	7.9
95.08598	100.0
96.08947	1.3
97.06510	2.4
97.10157	0.9
98.98445	0.9
101.06043	0.8
105.07011	5.9
107.08587	20.0
109.06532	2.0
109.10145	34.2
111.08053	1.5
117.07012	3.0
119.08588	4.7
121.06516	1.6
121.09265	1.1
121.10143	18.7
123.08086	3.1
123.11699	4.2
125.09616	1.4
127.07549	1.1
131.08549	6.5
133.10117	1.2
135.08037	2.3
135.11693	2.6
137.09598	1.1
144.59373	0.7
145.10114	7.4
147.11743	1.6
149.02373	4.0
149.09607	5.1
149.13249	0.8
153.09134	1.8
159.11777	2.3
161.13228	2.8
163.11172	3.7
163.14819	9.6
167.08560	0.8
167.10654	3.5
177.16383	2.4
181.12250	1.7
187.14801	14.8
187.16357	1.3
205.15883	8.4
223.06032	3.0
223.11279	1.3
223.13312	2.4
223.16881	19.6
223.20467	1.3
224.17470	0.8
225.04243	4.1
227.02266	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.0089
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23411	0.4
55.05507	0.6
56.05033	0.7
56.96562	3.8
58.99866	0.5
67.05512	0.4
69.07039	0.4
70.06565	0.6
70.29682	1.2
71.04972	0.8
77.00923	0.5
79.05495	0.4
81.03425	0.8
81.07085	0.7
82.99867	0.8
83.04977	0.6
83.06102	0.6
84.04491	0.6
84.08138	1.5
84.96024	4.6
93.82629	0.3
95.08576	0.5
98.21457	0.4
98.97569	2.1
99.04449	0.7
100.11249	0.5
101.00862	6.2
102.97058	1.0
105.03378	0.7
105.07034	0.4
116.98609	2.2
118.03514	0.6
119.01912	56.6
120.02007	2.1
129.10172	0.4
134.99785	5.0
137.02948	26.5
138.03070	0.6
139.03841	0.4
140.98859	1.1
142.03493	6.0
145.01649	0.5
150.06065	0.4
153.00911	3.0
155.00130	0.7
158.06566	0.4
158.99809	3.5
159.99936	0.4
160.04590	2.3
161.02948	1.7
161.04625	0.4
165.05186	0.5
173.01244	1.4
173.02791	0.4
175.02969	0.9
175.04349	0.5
176.02510	0.8
177.00940	100.0
178.01047	9.3
178.03647	0.5
179.00633	2.4
179.04005	1.8
181.03464	0.4
182.99727	3.0
183.01289	0.5
183.06203	1.2
184.02213	0.4
184.04567	1.5
191.02199	0.5
193.04033	2.2
195.01985	1.9
199.04539	0.4
200.02571	4.2
201.00769	9.7
201.02493	3.6
201.07243	0.7
202.00948	0.5
202.02640	1.3
202.05463	1.8
202.07326	0.4
206.01425	0.5
217.04060	9.6
218.03723	0.9
219.01976	81.7
219.94254	0.3
220.02086	13.9
221.01866	1.2
224.02272	0.7
225.00609	3.6
225.04257	0.8
225.09323	0.7
227.04150	0.5
237.95776	0.6
242.03629	5.4
243.01880	11.9
243.10641	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1326
Annotation	Heteroplexisolide E
Peak:m/z	Relative Intensity
53.03943	2.1
55.01874	2.0
55.05502	5.2
56.28621	0.3
56.96574	0.3
57.07070	0.7
59.24841	0.3
65.03932	1.3
67.05137	0.6
67.05496	11.4
69.03419	0.8
69.07057	4.1
69.45386	0.4
69.45782	3.0
71.04984	2.0
79.05486	7.7
81.03409	7.2
81.07047	15.9
83.04972	3.2
83.08614	2.4
85.02888	2.7
85.06528	0.6
91.05471	6.3
93.07037	7.2
95.04957	100.0
95.08587	10.4
95.09204	0.6
96.05279	1.3
97.02883	0.5
97.06521	2.4
97.10157	0.3
99.08096	1.1
103.05450	0.6
105.07008	4.4
107.04950	2.6
107.08591	4.0
109.02847	0.3
109.06512	3.5
109.10169	1.7
111.04440	0.7
111.08054	0.9
117.06995	3.8
119.08571	3.0
121.06493	3.5
121.10135	3.5
123.04436	0.4
123.08051	4.6
123.11729	0.4
125.06044	0.4
128.06198	0.5
129.07010	1.0
130.07782	0.6
131.04906	0.4
131.08562	1.9
133.06477	0.5
133.10118	1.7
135.08070	1.7
135.11682	3.8
141.06998	1.3
141.09177	0.3
143.08568	1.0
145.06490	1.3
145.10109	6.8
147.08043	3.4
149.02325	1.9
149.05907	0.3
149.09660	0.7
149.13232	0.8
153.09158	0.4
154.07768	0.4
159.08035	0.3
159.11681	2.6
161.09613	1.1
162.03117	0.3
163.03995	0.4
163.07545	0.4
163.11168	14.4
164.11555	0.4
167.08640	0.5
169.10124	1.3
177.12726	3.1
178.08603	0.6
187.11188	2.7
187.14861	0.5
190.02545	0.4
195.13722	0.5
205.12161	2.4
205.15807	0.4
223.05954	1.8
223.13217	6.5
223.16920	1.1
225.04274	0.9
227.02132	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.169
Annotation	Rumphellolide F
Peak:m/z	Relative Intensity
50.23338	0.6
53.03936	2.1
55.01857	1.3
55.05501	6.4
56.96572	0.8
57.03426	0.7
57.07080	2.0
59.93558	0.6
65.03950	2.0
67.05498	47.7
69.03431	0.9
69.07063	6.2
70.80531	2.4
71.04992	2.5
75.49390	0.7
79.05483	17.8
81.03403	2.2
81.07046	100.0
82.07368	1.1
83.04979	2.5
83.08618	3.6
85.02901	1.5
85.06542	2.0
91.05469	6.4
93.07034	17.8
95.04959	32.7
95.08594	91.4
96.08951	1.0
97.06524	2.3
97.10188	0.7
99.08080	0.7
105.07015	6.4
107.04958	1.3
107.08583	15.4
109.06506	2.5
109.10146	24.2
111.08044	1.5
117.07004	2.7
119.08587	4.1
119.33022	0.6
121.06487	2.2
121.10135	14.6
123.08077	4.3
123.11701	3.7
125.09651	0.8
129.07007	1.0
131.08548	5.6
133.10104	1.5
135.04408	1.0
135.08028	3.9
135.11665	2.7
137.09564	1.2
141.09138	0.9
142.06538	0.8
145.10114	6.6
147.07996	0.9
147.11649	1.1
149.02325	5.0
149.09608	3.9
153.09111	1.0
159.11679	2.5
161.13225	2.7
163.11182	6.4
163.14795	7.1
165.09009	0.9
167.10666	1.1
177.12695	1.3
177.16396	2.2
178.08630	0.9
181.08595	0.7
181.12213	0.8
187.14787	9.6
191.08275	0.6
191.10097	0.9
205.12253	1.5
205.15826	5.4
213.63487	0.7
223.05943	4.3
223.11212	1.1
223.13298	4.0
223.16866	14.5
223.20436	1.5
225.04227	2.5
227.02165	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1326
Annotation	Heteroplexisolide E
Peak:m/z	Relative Intensity
53.03927	0.4
55.01869	1.3
55.05507	4.1
56.66693	0.1
57.03435	0.2
57.07067	0.2
59.04987	0.2
62.90790	0.2
65.03929	1.1
67.05499	6.4
68.15754	0.1
69.03418	0.4
69.07063	3.5
69.44554	1.4
71.04975	1.1
73.06522	0.2
79.05484	4.8
80.05002	0.2
81.03406	3.0
81.07047	8.5
83.04971	1.5
83.08618	1.6
85.02891	2.9
85.06533	0.4
87.08090	0.3
91.05470	4.4
91.06040	0.3
93.07034	4.2
95.04958	100.0
95.08588	4.7
96.05275	1.1
97.06516	1.2
98.20638	0.3
99.04441	0.2
99.08081	0.4
103.05444	0.3
105.07017	2.7
107.04952	1.0
107.08584	2.3
107.09245	0.3
109.06507	3.1
109.07195	0.2
109.10121	0.2
111.04430	0.3
111.08070	0.2
115.05423	0.2
116.05282	0.1
117.07001	2.4
117.07788	0.2
119.08569	3.3
121.06492	2.9
121.10130	1.8
123.08057	3.1
128.06219	0.3
129.06989	0.9
130.07771	0.4
131.08577	0.9
133.06410	0.2
133.10107	0.8
135.08049	1.3
135.11673	2.8
141.06941	0.3
141.09099	0.2
143.08525	0.7
145.06506	0.7
145.10110	5.4
147.08037	3.3
149.02394	0.6
149.09647	0.3
149.13232	0.3
154.07722	0.2
159.08069	0.2
159.11667	1.5
161.09613	1.0
163.11166	12.1
164.11583	0.3
165.09073	0.2
169.10135	0.9
177.12718	1.3
179.08527	0.1
181.12248	0.2
187.11151	1.7
205.12241	1.8
223.05902	0.3
223.11292	0.2
223.13239	3.7
223.16902	0.3
225.04260	0.3
227.02155	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	223.1326
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.8
55.01863	1.5
55.05508	3.4
57.07058	1.1
57.18696	0.4
59.04991	0.4
65.03944	1.0
65.63342	0.3
67.05499	5.8
69.07062	3.3
70.06592	0.8
70.15386	1.7
70.53528	0.3
71.04986	1.4
75.00842	0.3
79.05486	5.6
81.03415	2.8
81.07049	8.8
83.04965	1.8
83.08622	1.9
85.02892	2.7
85.06521	0.5
91.05461	3.6
93.07040	4.4
95.04959	100.0
95.08589	5.6
96.05309	0.9
97.02901	0.4
97.06518	1.2
98.21595	0.4
99.08092	0.5
103.05482	0.3
105.07018	3.3
107.04950	1.0
107.08579	2.3
109.06506	3.6
109.10176	0.6
111.08073	0.6
116.16007	0.4
117.07003	2.3
119.08572	3.9
121.02867	0.7
121.06491	2.4
121.10143	1.9
123.08051	3.0
125.05966	0.5
128.06227	0.5
129.07019	0.8
131.08580	1.0
133.10156	0.7
135.04391	0.5
135.08043	2.1
135.11667	2.9
141.06943	0.5
143.08548	0.5
145.06509	0.6
145.10115	5.3
147.08052	3.1
149.02327	3.5
149.09622	0.5
159.08043	0.4
159.11708	1.7
161.09633	1.2
163.07504	0.4
163.11166	14.0
169.10165	0.7
177.05490	0.5
177.12732	1.5
187.11194	2.3
190.02531	0.4
205.12257	1.9
223.02426	0.4
223.05894	2.4
223.11325	0.7
223.13266	3.9
223.16994	1.6
225.04288	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1327
Annotation	Placidene C
Peak:m/z	Relative Intensity
53.03934	0.9
55.01859	1.6
55.05239	0.3
55.05506	6.0
57.07047	0.3
65.03934	0.7
66.04713	0.4
67.05496	5.9
69.03417	0.4
69.07061	5.3
70.84650	0.5
71.04977	0.6
74.01872	0.2
79.05477	3.1
81.03411	10.5
81.07052	4.7
81.07512	0.1
83.04968	0.6
83.08611	2.6
85.02890	0.4
85.06520	0.5
87.08101	0.3
91.05477	2.5
93.07034	2.7
94.03632	0.4
94.04176	4.2
95.04961	17.9
95.08601	2.0
96.05283	0.3
97.06539	0.4
105.07002	1.7
107.04946	5.6
107.08569	1.0
109.06508	1.2
109.10136	0.5
111.08075	0.5
117.07000	1.4
119.08549	0.9
121.06487	0.7
121.10136	0.4
123.08049	1.2
124.50255	0.2
129.06990	0.3
131.08546	0.9
133.10127	0.3
135.08026	0.3
135.11641	0.4
139.07611	0.2
141.06935	0.3
145.06485	0.4
145.10098	0.9
149.02339	0.7
149.13232	0.3
150.60976	0.2
159.11684	0.5
163.07549	0.2
163.11172	1.2
177.12796	0.2
183.76270	0.2
185.10495	0.2
205.12192	1.4
223.13271	100.0
224.13635	2.9
225.04254	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1326
Annotation	Heteroplexisolide E
Peak:m/z	Relative Intensity
50.46214	5.9
50.48943	6.9
53.03942	54.8
54.77869	5.8
55.01858	10.9
55.05507	16.9
56.96554	11.4
57.03404	8.2
57.07061	14.4
65.03931	10.2
67.05496	70.7
69.03429	8.8
69.07062	19.7
69.17168	7.0
70.06566	32.8
71.04971	14.6
71.75317	8.1
79.05479	47.1
81.03407	100.0
81.07040	78.7
83.04975	23.0
84.08138	6.8
91.05468	22.3
93.07032	57.3
95.04962	44.0
95.08597	53.6
97.06496	13.5
97.36028	6.2
103.05439	6.8
105.03371	9.3
105.07026	21.8
107.04945	30.3
107.08593	25.0
109.06514	10.3
109.10122	8.7
111.08095	9.0
112.78542	6.0
115.05401	6.6
117.06994	18.2
119.08556	10.9
121.06496	19.3
121.10130	10.7
123.08049	40.9
131.04910	6.6
131.08560	23.4
133.06526	9.0
133.10191	8.1
135.08080	10.7
135.11670	18.7
145.06480	15.8
145.10104	8.3
147.07979	7.8
149.02312	54.6
150.09071	11.7
159.08096	9.6
159.11676	26.4
163.03894	8.9
163.11162	14.0
167.05702	6.5
175.11945	7.3
177.00702	9.5
177.05440	7.1
178.08669	11.1
187.11122	9.3
190.02757	7.3
195.08069	7.6
205.04871	10.0
205.12062	11.8
223.05992	74.9
223.11345	9.3
223.13185	8.7
223.16989	23.0
225.04268	38.4
227.02190	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	223.1074
Annotation	N5-Phenyl-L-glutamine
Peak:m/z	Relative Intensity
51.95658	1.4
55.05492	3.8
56.05025	3.9
57.03405	1.5
57.07058	3.5
58.06583	1.7
60.04513	2.1
60.05635	1.9
63.74783	1.5
67.05482	3.5
67.58246	1.4
68.05030	1.4
69.03418	3.2
69.07058	3.5
70.02937	1.7
70.06585	16.1
71.73806	2.0
72.08147	7.8
74.02434	13.0
79.05503	6.8
80.05022	2.9
80.90835	1.6
81.03425	4.4
81.07056	3.2
83.04979	2.5
84.04495	3.3
84.08130	15.0
85.02887	2.2
86.09690	6.4
88.03981	4.0
91.05452	13.9
93.07026	5.0
94.06552	3.0
95.04956	3.5
95.06078	2.2
95.08578	5.0
103.05450	3.1
105.07027	9.1
106.06537	3.4
107.04913	4.4
107.08575	4.4
108.08110	5.5
109.10125	1.8
110.07153	2.5
111.08096	2.1
112.08717	1.8
115.05434	10.6
117.05775	8.3
117.07018	2.5
118.06529	98.1
119.04916	5.8
119.07333	15.3
120.08105	7.1
121.02857	1.8
121.06502	2.2
121.07587	1.3
121.10117	4.0
122.06001	4.2
123.04390	1.7
129.10225	5.1
129.48360	1.6
130.06522	2.2
131.04871	2.9
131.08588	1.5
132.08073	61.2
133.06392	3.4
134.06006	7.9
135.04420	1.8
135.08183	1.7
135.09116	7.1
136.07562	8.6
137.06007	1.8
139.03841	2.0
142.06500	6.5
145.10106	1.6
146.06004	5.2
147.04427	3.6
148.07536	2.3
149.02333	12.7
149.05971	2.0
149.08333	8.3
150.09081	3.7
159.09160	64.3
160.07558	43.3
160.09552	1.5
161.05972	1.9
161.10721	1.7
162.09132	2.5
163.03802	2.0
163.08653	10.8
163.11227	2.1
164.07004	7.9
165.05431	1.8
170.06029	1.8
177.05373	3.0
177.10219	100.0
178.08643	26.2
178.10303	2.6
188.07022	3.9
195.06416	1.4
195.11266	1.6
205.04980	2.0
205.09766	5.5
205.12099	2.1
206.08133	22.4
223.04204	2.1
223.06036	11.5
223.10797	33.5
223.13286	5.4
223.16898	5.0
224.09148	2.5
225.04289	34.8
227.02193	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	223.1327
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38169	0.3
53.03942	0.6
55.01855	1.2
55.05505	3.5
57.03420	0.4
57.07068	0.6
65.03932	0.8
67.05502	6.8
69.01622	0.2
69.03402	0.5
69.07061	3.6
69.50888	2.0
69.51300	0.6
71.04982	1.2
79.05484	4.2
81.03408	3.0
81.07052	9.2
83.04980	1.7
83.08605	1.3
85.02901	2.1
85.06558	0.7
91.05475	4.5
93.07035	4.4
95.04961	100.0
95.08592	4.7
95.18758	0.3
96.05296	1.2
97.06536	1.2
99.08073	0.3
103.05410	0.4
105.07011	2.4
107.04967	1.0
107.08601	2.8
109.02860	0.4
109.06502	3.2
109.10157	0.5
111.08108	0.3
116.21724	0.3
117.07000	2.4
119.08589	3.1
121.06500	3.1
121.10151	1.6
123.08057	2.9
124.84703	0.2
128.06273	0.3
129.07027	0.9
130.07788	0.4
131.08606	1.3
133.06459	0.4
133.10127	0.7
135.08052	1.6
135.11678	2.7
141.07039	0.5
141.09113	0.4
143.08556	0.8
145.06483	0.8
145.10118	5.2
147.08040	3.5
149.02318	1.7
149.13255	0.4
159.11700	1.8
161.09615	0.8
163.03966	0.3
163.11177	12.4
165.09096	0.3
169.10144	1.0
177.12674	1.3
178.08577	0.7
187.11145	1.9
191.84177	0.3
193.10222	0.3
205.12238	2.2
223.02507	0.4
223.06049	1.9
223.11243	0.4
223.13170	3.1
223.15266	0.3
223.17010	1.0
225.04340	1.0
227.02266	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0961
Annotation	2E,4E,8E,10E-Dodecatetraenedioic acid
Peak:m/z	Relative Intensity
52.69653	0.2
53.03931	0.3
55.01862	0.8
57.03434	0.8
65.03939	0.4
67.05506	0.7
68.99825	0.2
69.03422	2.5
71.04979	0.2
71.51358	0.2
71.51673	0.2
77.03965	0.2
79.05478	2.1
81.03420	0.5
81.07049	0.7
83.01333	15.1
83.04970	0.3
85.02911	0.5
85.06610	0.1
91.05472	7.2
93.07037	4.1
93.07581	0.3
95.04951	2.1
95.08634	0.3
97.06583	0.1
103.05437	0.3
105.03370	0.2
105.07017	2.6
107.04930	1.0
107.08578	2.8
109.02858	0.4
109.06532	1.3
113.06003	0.2
114.10402	0.1
115.05451	1.5
116.06237	1.9
117.07007	1.9
119.04926	0.8
119.08556	0.9
121.02859	0.2
121.06496	8.8
121.10129	3.0
123.04467	0.5
123.08063	0.7
127.03841	0.2
128.06245	0.3
129.06966	1.1
131.04945	0.2
131.08551	7.4
133.06479	0.8
133.10085	0.4
134.07285	1.4
135.08037	11.7
137.05937	0.3
141.06969	0.7
144.05692	1.3
145.06488	0.9
146.07260	0.4
147.04353	0.9
148.05180	0.5
149.02321	0.4
149.05972	1.9
149.09602	10.7
153.05489	1.0
159.08041	11.5
160.08563	0.2
161.05971	1.9
161.09584	0.2
162.06750	16.1
163.07527	17.8
164.07872	0.3
165.05466	0.2
166.05823	0.7
167.05954	1.9
168.10201	0.2
177.09096	29.0
178.09390	0.4
181.08585	0.4
187.07529	8.6
188.07858	0.3
190.06198	1.2
205.08583	100.0
206.08934	2.1
223.09630	23.9
224.09872	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0961
Annotation	2E,4E,8E,10E-Dodecatetraenedioic acid
Peak:m/z	Relative Intensity
55.01912	0.9
57.03470	0.7
60.14936	0.7
65.03977	0.6
67.05547	1.5
69.03500	2.7
71.75476	0.8
79.05560	2.9
81.03471	1.3
81.07130	2.0
83.01335	13.7
83.05036	0.7
85.02950	0.9
89.52596	0.7
91.05465	7.1
93.07047	4.3
95.04958	8.7
95.08661	1.8
103.05489	0.7
105.06428	0.7
105.07012	3.3
107.05006	1.2
107.08572	3.3
109.06556	1.4
115.05499	1.7
116.06271	1.4
117.07088	2.5
119.00596	0.7
119.04978	0.8
119.08678	0.7
121.06498	8.2
121.07277	0.7
121.10123	3.4
123.08080	1.3
129.07011	1.3
129.19305	0.6
131.08578	7.5
133.06483	0.8
134.07347	1.1
135.08041	12.9
135.11746	0.8
144.05739	1.1
145.06468	1.0
145.10158	1.0
147.04465	1.1
149.02348	5.2
149.06018	2.1
149.09602	11.4
149.10675	1.0
153.05492	1.2
159.08023	11.2
161.05971	1.3
162.06746	16.1
162.08028	0.9
163.07547	14.3
163.11133	1.5
177.09100	26.8
181.08536	0.7
185.06400	0.6
187.07515	7.8
187.11021	0.7
188.08264	0.6
190.06306	1.3
205.08578	100.0
206.08894	1.9
207.02994	0.8
223.06207	3.5
223.09596	21.2
223.14981	1.2
223.16791	1.2
223.20515	1.1
225.04309	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	222.1487
Annotation	Lucidulinone
Peak:m/z	Relative Intensity
52.28130	1.7
53.03929	5.0
53.44676	1.6
54.77370	1.7
55.01863	3.9
55.05268	2.0
55.05508	22.7
56.05017	2.2
56.96559	1.9
57.03418	2.7
57.07070	3.7
60.89700	1.4
65.03920	2.8
67.05501	72.5
69.06731	2.1
69.07066	26.1
70.06573	3.5
70.79121	5.0
70.79490	2.3
71.04972	5.7
72.04512	13.5
79.05488	55.6
80.05009	4.2
81.03387	5.8
81.03831	1.8
81.07053	100.0
82.06551	6.6
82.07383	1.6
83.04977	14.0
83.08613	25.1
84.01631	1.3
85.06527	5.8
86.09671	1.9
91.04918	2.6
91.05471	43.6
93.07037	67.5
94.06544	4.8
95.04967	12.7
95.08598	25.8
96.04501	2.0
96.08118	2.0
96.08901	1.5
97.06521	16.9
98.06033	2.3
99.08054	5.6
105.07039	18.3
106.06541	5.0
107.04932	3.1
107.08580	38.1
108.04453	2.1
108.08092	1.7
109.06509	6.9
109.10125	5.2
110.06036	4.3
111.08093	8.1
113.09624	2.7
117.07024	20.7
118.06531	2.9
119.08549	4.4
119.33988	1.5
120.08096	6.9
121.06504	5.6
121.10120	13.2
122.06013	3.8
122.09685	1.7
123.08065	3.2
123.11700	13.9
124.07589	7.3
125.09608	2.2
129.06963	2.5
131.04922	1.5
131.08571	23.0
133.10121	37.2
133.11113	2.2
134.09601	1.9
135.07965	4.0
135.11690	18.8
136.07518	2.1
138.05373	1.7
138.09096	2.8
141.06973	4.5
143.08492	2.8
145.10095	5.5
147.11681	4.2
148.11189	3.3
149.02347	3.5
149.09572	3.1
149.13242	33.9
151.11191	4.5
158.09596	5.3
159.11685	37.2
160.11215	2.0
162.09160	2.9
169.10081	3.0
176.07181	2.3
176.10744	4.9
176.14375	2.6
177.12720	16.8
178.12225	1.8
186.12770	10.1
187.11171	4.5
194.15364	2.0
195.13794	65.5
195.15593	3.4
195.89597	1.5
204.06766	2.1
204.13786	24.4
205.12253	2.3
222.07600	5.6
222.11375	3.2
222.14873	81.6
223.05988	3.4
223.15140	2.4
225.04285	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	222.1157
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.0
55.05507	64.0
58.99582	3.0
61.69130	0.5
70.06586	1.7
70.98779	1.4
72.08152	5.7
76.02227	1.3
77.03906	0.5
79.05476	0.8
81.07045	1.9
81.74306	0.5
83.08611	100.0
84.08125	0.9
84.08938	0.7
85.02910	0.6
86.09718	0.6
86.99053	4.9
91.05466	3.3
94.92981	0.5
95.04945	0.6
96.20954	0.5
97.06547	0.6
97.37404	0.4
98.97562	0.7
101.09647	15.5
101.86703	0.4
103.05473	1.2
105.00079	8.0
105.06999	0.7
106.06551	0.8
107.04962	0.6
108.08193	0.5
110.06089	0.5
118.06537	2.1
119.04916	3.1
120.07285	1.0
120.08095	10.5
120.08862	0.7
121.06446	0.5
122.02693	1.6
123.04439	0.9
130.06517	82.9
131.04921	0.8
131.06816	1.5
132.04439	14.7
133.10086	0.6
136.07544	2.3
146.05971	0.6
147.04388	8.4
148.07553	22.5
158.05997	25.3
159.06271	0.8
159.08330	1.2
162.05405	0.9
165.05499	1.1
176.07057	66.7
177.07419	0.8
179.10692	0.6
180.28230	0.5
182.08154	0.9
186.09186	0.6
187.07881	0.5
187.29280	0.4
194.05710	0.5
204.06450	0.9
205.08932	14.1
222.07553	5.1
222.11191	2.7
223.05994	0.5
223.13319	2.3
225.04271	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	222.1486
Annotation	Lucidulinone
Peak:m/z	Relative Intensity
51.37272	0.3
53.03925	0.5
55.05505	1.5
56.05019	0.7
65.03931	0.7
67.05502	12.7
68.05024	2.8
69.07054	0.9
69.44126	2.7
69.44543	0.6
70.06218	0.5
70.06585	7.5
70.50850	0.3
71.04971	0.6
72.08133	1.3
79.05480	5.0
80.05001	0.7
81.07050	3.8
82.06579	0.6
83.04957	0.4
91.05470	5.8
93.07042	3.7
94.06545	1.2
95.04941	0.8
95.06068	0.6
95.08604	0.8
96.08107	0.4
98.06022	0.5
98.20654	0.6
100.07601	1.2
102.30325	0.3
105.07036	4.8
106.06549	5.8
107.04949	0.6
107.07379	0.5
107.08582	5.7
108.08132	2.1
108.09352	0.8
109.06487	1.3
109.10152	10.8
110.10470	0.3
114.05526	5.0
116.07084	1.0
117.06976	1.0
118.06605	0.3
119.08573	0.8
120.08133	1.7
120.08850	0.4
121.08872	0.8
121.10155	0.6
122.09670	2.5
123.08075	0.4
123.10400	0.4
125.09591	0.3
128.07076	0.4
131.08546	1.4
132.08083	0.6
133.06406	0.3
133.10114	1.8
134.09644	2.6
135.07977	0.4
135.10356	0.6
135.11665	0.7
136.11179	0.7
137.05972	0.3
137.43385	0.3
146.09650	0.8
147.10410	1.4
147.11560	0.5
148.11205	8.7
149.02405	0.5
149.09532	0.3
149.11960	1.2
149.13173	0.5
150.12735	0.7
152.07072	3.2
154.08568	0.5
159.11681	0.9
160.11156	0.5
161.12012	0.8
162.12767	8.7
164.07014	1.7
165.07832	1.1
166.08600	0.7
168.10059	0.3
176.10730	0.4
176.14352	9.9
177.15080	0.7
178.08640	4.7
178.15863	1.6
180.10162	1.0
192.10185	11.4
193.10934	2.6
194.11745	2.0
194.15395	0.6
197.74704	0.3
204.13773	0.5
206.11766	2.3
207.12494	3.1
220.13287	2.3
222.14873	100.0
223.05969	0.6
223.13303	0.7
223.15196	2.7
225.04208	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	222.076
Annotation	Hyrtioerectine C
Peak:m/z	Relative Intensity
56.00702	0.4
67.05499	0.5
69.51173	4.5
70.06581	2.1
72.08154	1.2
77.03942	0.5
91.05483	1.2
93.06987	0.5
95.04994	0.5
98.97563	0.6
103.05449	1.0
105.07025	0.5
106.06546	1.3
116.07099	1.4
118.06533	1.4
119.04936	1.8
119.07326	0.7
119.08595	0.6
120.08098	12.2
130.06517	100.0
131.06865	2.3
132.04442	18.7
146.05904	0.6
147.04420	6.1
148.07553	29.0
158.06004	31.3
159.06360	0.8
176.07056	90.8
177.07384	1.7
194.11789	0.6
195.38045	0.5
204.06488	2.0
209.05539	0.4
222.07594	5.4
222.11226	1.3
222.14888	2.8
223.05997	0.7
225.04315	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	222.0758
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.4
55.05504	42.2
56.96554	0.9
58.06602	0.5
58.99578	2.9
65.03954	0.6
67.05499	1.5
69.03418	0.8
69.07035	0.6
70.06582	1.6
70.89579	1.6
72.08154	2.8
76.02207	1.2
79.05483	1.3
81.07047	0.9
83.08608	66.5
84.08139	1.2
86.09700	1.2
86.99054	2.3
91.05463	1.6
91.15710	0.5
93.07014	1.2
94.06551	0.5
95.04953	1.1
97.02876	0.5
98.97567	1.1
101.09647	9.3
103.05461	1.1
105.00077	4.9
105.07031	1.1
106.06522	0.6
107.08593	0.9
111.04401	0.6
116.98615	0.7
118.06574	0.6
119.04923	3.3
119.08550	0.5
120.08092	11.4
121.06532	0.9
121.10151	0.6
125.06002	0.6
129.10207	0.6
130.06512	100.0
131.04945	0.9
131.06876	1.7
132.04433	15.9
134.06024	0.6
136.07584	0.9
142.83362	0.6
146.05969	0.6
147.04384	7.4
148.07552	29.7
149.02277	0.7
158.05995	32.2
158.99689	0.7
159.08427	0.6
176.07048	84.4
177.07401	1.8
195.54492	0.5
204.06781	0.6
205.08920	9.3
205.12115	0.8
222.07576	6.7
222.11348	2.2
223.13257	2.2
225.04205	1.1
228.41687	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1898
Annotation	Helianthol A
Peak:m/z	Relative Intensity
53.21224	3.8
55.05505	24.6
56.96558	6.3
57.07063	13.8
57.78866	3.5
67.05505	33.4
69.07082	22.8
70.06577	3.7
71.04977	22.6
79.05475	27.4
81.07050	96.1
83.04967	8.9
83.08615	10.0
84.08133	8.1
85.06544	5.2
90.05555	4.6
91.05446	29.5
93.07043	55.8
95.04943	5.9
95.08600	52.3
97.06523	7.2
97.10165	3.8
99.08022	4.4
103.05423	6.6
105.07008	42.2
107.08585	66.1
109.06514	10.9
109.10150	37.8
110.07158	3.7
111.08081	12.8
112.08636	3.8
115.05450	6.2
119.04936	4.2
119.08575	60.9
121.06497	11.3
121.10136	18.6
123.08041	5.8
123.11697	20.1
127.11194	6.1
131.04930	8.2
131.08528	5.6
133.06470	9.1
133.10118	32.7
135.08023	8.7
135.11688	100.0
137.05977	12.3
137.09586	12.3
137.13289	5.6
143.08528	5.7
147.04382	6.5
147.07959	4.7
147.11687	27.3
149.05923	7.5
149.09644	4.3
149.13232	11.4
151.07420	4.2
151.11197	7.5
157.10185	4.9
161.05978	13.1
161.09619	6.8
161.13255	17.1
163.07530	7.3
163.14816	5.6
165.06978	9.7
171.07950	4.4
173.95071	4.1
175.07530	11.0
175.11185	5.3
175.14764	8.0
177.12709	8.0
193.06711	5.2
193.08626	8.7
193.15807	4.9
203.07095	4.7
203.10760	9.0
203.17931	43.3
205.15016	4.1
206.16254	14.8
221.04352	13.3
221.06064	13.1
221.08000	12.9
221.11618	8.3
221.15384	16.3
221.19073	69.5
221.22610	3.6
222.07430	3.9
222.11325	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	221.1898
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03708	1.7
53.03937	4.2
55.05506	11.4
55.76324	1.6
56.96552	3.6
57.07062	6.8
60.83416	1.9
65.03924	3.5
67.05503	16.1
69.03413	2.5
69.07061	13.6
69.84972	5.7
69.85395	6.9
70.06580	5.0
71.04981	16.2
75.58593	1.6
75.84971	1.6
79.05479	19.3
81.07051	51.6
82.07409	1.8
82.24899	1.6
83.04973	2.8
83.08597	7.1
84.04503	4.3
84.08157	2.6
85.02903	2.4
85.06514	3.2
91.05453	18.9
93.07037	37.8
95.04967	8.4
95.08596	30.2
97.06532	3.1
99.04502	1.6
99.08086	5.4
101.82893	1.6
103.05461	9.0
105.07023	27.4
107.08582	59.8
109.06493	5.3
109.10147	24.4
110.07153	1.8
111.08077	7.3
115.05441	3.5
116.98643	2.5
117.07041	2.2
118.53991	2.0
119.04911	2.8
119.08572	38.7
121.06516	6.0
121.10121	11.5
123.04412	2.8
123.08040	4.3
123.11704	14.2
127.11220	3.0
128.06168	2.0
129.06952	3.7
131.04912	17.3
131.08531	3.2
133.06490	4.4
133.10112	26.4
135.08078	3.8
135.11679	100.0
136.12006	2.1
137.05959	7.9
137.09601	6.8
137.13242	2.0
143.04892	2.7
143.08502	2.0
145.10117	2.1
147.04410	3.0
147.08017	3.6
147.11664	22.7
148.07582	2.6
149.02365	3.0
149.13237	6.2
151.07547	3.6
151.11143	3.2
153.09090	2.4
159.11806	1.8
160.05205	3.2
161.06004	8.7
161.09666	2.3
161.13281	12.9
163.07590	10.0
163.14859	3.7
165.05493	2.4
165.06967	6.1
165.09019	3.6
165.12721	3.5
175.07512	8.7
175.14825	7.4
176.07172	6.1
176.10643	2.0
177.16396	2.1
179.10675	2.4
190.16913	2.0
191.07053	3.5
191.09647	3.9
193.06664	3.3
193.08577	4.6
193.15950	2.8
203.07033	3.9
203.10826	2.5
203.14304	3.1
203.17937	31.6
206.16162	6.3
221.04376	7.2
221.06029	4.7
221.07961	4.2
221.11700	1.9
221.15320	7.8
221.19035	37.8
222.07680	2.6
222.11180	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	221.1898
Annotation	Helianthol A
Peak:m/z	Relative Intensity
50.03708	1.7
53.03937	4.2
55.05506	11.4
55.76324	1.6
56.96552	3.6
57.07062	6.8
60.83416	1.9
65.03924	3.5
67.05503	16.1
69.03413	2.5
69.07061	13.6
69.84972	5.7
69.85395	6.9
70.06580	5.0
71.04981	16.2
75.58593	1.6
75.84971	1.6
79.05479	19.3
81.07051	51.6
82.07409	1.8
82.24899	1.6
83.04973	2.8
83.08597	7.1
84.04503	4.3
84.08157	2.6
85.02903	2.4
85.06514	3.2
91.05453	18.9
93.07037	37.8
95.04967	8.4
95.08596	30.2
97.06532	3.1
99.04502	1.6
99.08086	5.4
101.82893	1.6
103.05461	9.0
105.07023	27.4
107.08582	59.8
109.06493	5.3
109.10147	24.4
110.07153	1.8
111.08077	7.3
115.05441	3.5
116.98643	2.5
117.07041	2.2
118.53991	2.0
119.04911	2.8
119.08572	38.7
121.06516	6.0
121.10121	11.5
123.04412	2.8
123.08040	4.3
123.11704	14.2
127.11220	3.0
128.06168	2.0
129.06952	3.7
131.04912	17.3
131.08531	3.2
133.06490	4.4
133.10112	26.4
135.08078	3.8
135.11679	100.0
136.12006	2.1
137.05959	7.9
137.09601	6.8
137.13242	2.0
143.04892	2.7
143.08502	2.0
145.10117	2.1
147.04410	3.0
147.08017	3.6
147.11664	22.7
148.07582	2.6
149.02365	3.0
149.13237	6.2
151.07547	3.6
151.11143	3.2
153.09090	2.4
159.11806	1.8
160.05205	3.2
161.06004	8.7
161.09666	2.3
161.13281	12.9
163.07590	10.0
163.14859	3.7
165.05493	2.4
165.06967	6.1
165.09019	3.6
165.12721	3.5
175.07512	8.7
175.14825	7.4
176.07172	6.1
176.10643	2.0
177.16396	2.1
179.10675	2.4
190.16913	2.0
191.07053	3.5
191.09647	3.9
193.06664	3.3
193.08577	4.6
193.15950	2.8
203.07033	3.9
203.10826	2.5
203.14304	3.1
203.17937	31.6
206.16162	6.3
221.04376	7.2
221.06029	4.7
221.07961	4.2
221.11700	1.9
221.15320	7.8
221.19035	37.8
222.07680	2.6
222.11180	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	221.1898
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21224	3.8
55.05505	24.6
56.96558	6.3
57.07063	13.8
57.78866	3.5
67.05505	33.4
69.07082	22.8
70.06577	3.7
71.04977	22.6
79.05475	27.4
81.07050	96.1
83.04967	8.9
83.08615	10.0
84.08133	8.1
85.06544	5.2
90.05555	4.6
91.05446	29.5
93.07043	55.8
95.04943	5.9
95.08600	52.3
97.06523	7.2
97.10165	3.8
99.08022	4.4
103.05423	6.6
105.07008	42.2
107.08585	66.1
109.06514	10.9
109.10150	37.8
110.07158	3.7
111.08081	12.8
112.08636	3.8
115.05450	6.2
119.04936	4.2
119.08575	60.9
121.06497	11.3
121.10136	18.6
123.08041	5.8
123.11697	20.1
127.11194	6.1
131.04930	8.2
131.08528	5.6
133.06470	9.1
133.10118	32.7
135.08023	8.7
135.11688	100.0
137.05977	12.3
137.09586	12.3
137.13289	5.6
143.08528	5.7
147.04382	6.5
147.07959	4.7
147.11687	27.3
149.05923	7.5
149.09644	4.3
149.13232	11.4
151.07420	4.2
151.11197	7.5
157.10185	4.9
161.05978	13.1
161.09619	6.8
161.13255	17.1
163.07530	7.3
163.14816	5.6
165.06978	9.7
171.07950	4.4
173.95071	4.1
175.07530	11.0
175.11185	5.3
175.14764	8.0
177.12709	8.0
193.06711	5.2
193.08626	8.7
193.15807	4.9
203.07095	4.7
203.10760	9.0
203.17931	43.3
205.15016	4.1
206.16254	14.8
221.04352	13.3
221.06064	13.1
221.08000	12.9
221.11618	8.3
221.15384	16.3
221.19073	69.5
221.22610	3.6
222.07430	3.9
222.11325	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	221.1534
Annotation	Oblongolide
Peak:m/z	Relative Intensity
53.03929	2.4
55.01855	3.9
55.05508	11.1
57.03413	1.2
57.07059	4.3
59.04976	1.1
65.03926	1.9
67.05190	1.4
67.05500	16.6
69.03417	1.2
69.07056	12.9
70.53779	3.2
71.04659	1.0
71.04994	10.4
71.37988	0.8
79.05489	36.4
81.07046	23.9
83.04966	3.3
83.08596	1.7
85.02882	1.8
85.06517	2.8
87.04449	2.6
91.05471	63.3
93.07037	39.7
95.04940	5.1
95.08610	16.6
97.06507	2.3
98.21369	1.3
99.04455	1.3
101.06001	1.2
103.05447	2.6
105.07019	95.2
106.07286	1.2
107.08582	26.5
109.06504	5.2
109.10134	4.2
111.08053	1.3
113.06045	1.5
115.05437	1.7
117.07005	14.2
119.08569	92.8
120.08927	1.7
121.06467	4.4
121.10140	10.2
123.08030	3.7
128.06218	3.4
129.06981	10.1
131.08539	6.6
133.06442	4.7
133.10117	27.5
135.08031	6.8
135.11681	2.0
137.09561	1.8
143.08560	11.1
145.10112	2.1
147.08028	26.1
147.11664	10.0
151.07527	3.4
153.09143	1.4
157.10112	6.6
159.08031	0.9
159.11682	14.0
161.09616	14.1
161.13242	100.0
162.13631	1.3
165.09135	9.0
175.11148	11.7
175.14822	9.1
179.10661	5.8
185.13240	18.4
186.13380	1.1
203.14307	30.3
204.14531	1.2
206.16177	2.1
221.04378	1.3
221.11809	2.2
221.15331	41.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1169
Annotation	Precocene II
Peak:m/z	Relative Intensity
53.03929	0.7
55.01863	0.8
65.03931	0.3
67.05504	0.3
68.41573	0.2
69.03432	0.3
69.07034	0.2
70.53880	0.1
71.76354	0.1
79.05481	1.1
81.03403	1.4
81.07039	1.7
83.01334	0.6
83.14259	0.1
91.05460	1.8
95.04975	0.4
95.06068	0.2
109.02870	1.5
109.06508	6.4
111.08038	0.2
112.08730	0.2
119.04921	0.9
119.08604	0.2
127.03902	3.0
133.10153	0.2
137.05969	8.1
137.08206	0.4
138.06392	0.2
138.10193	0.1
147.04428	0.3
153.05469	1.1
161.08182	0.2
163.07704	0.2
165.05463	100.0
166.05791	1.3
179.07042	0.3
183.06487	0.4
221.11716	28.3
222.12029	0.6
226.68417	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1169
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.5
55.01872	0.8
55.48438	0.3
59.01665	0.3
64.46003	0.3
65.03949	0.4
67.05518	0.5
79.05485	1.3
81.03420	1.2
81.07028	1.6
83.01340	0.7
91.05457	2.3
95.04961	0.4
95.08617	0.5
105.07009	0.4
109.02875	2.0
109.06505	7.2
109.10184	0.4
119.04931	0.8
119.08603	0.3
123.63911	0.3
127.03918	3.5
133.10107	0.3
137.05966	9.2
147.04359	0.4
153.05447	0.9
161.08191	0.7
165.05458	100.0
166.05783	1.3
179.07042	0.6
179.09213	0.6
183.06541	0.5
206.08044	0.3
221.11697	18.1
221.15131	0.6
221.17230	0.4
222.11961	0.5
229.45796	0.4
237.58101	0.3
237.60583	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1532
Annotation	Oblongolide
Peak:m/z	Relative Intensity
51.03261	1.3
53.03934	3.6
55.01856	3.3
55.05503	15.0
56.96542	1.3
57.03408	1.6
57.07049	2.5
57.31348	1.4
59.04980	2.3
61.66102	1.3
65.03897	1.4
66.31438	1.3
67.05498	19.2
69.03397	2.7
69.07060	15.2
69.78974	2.6
69.79375	9.2
71.04608	1.9
71.04980	17.3
73.06520	1.6
79.05485	54.2
81.06609	2.0
81.07046	29.0
83.04956	4.2
83.08603	5.5
85.06509	3.0
91.05465	58.6
93.07028	45.7
95.04940	6.5
95.08589	18.5
97.06493	2.3
98.20795	2.8
99.04459	2.4
105.07018	64.4
107.04925	1.6
107.08577	35.8
109.06496	5.0
109.10139	5.5
111.08041	3.0
113.05989	3.5
115.05450	3.0
117.06998	15.9
119.08566	78.0
120.67124	1.3
121.06476	5.2
121.10133	23.3
123.08041	3.2
123.11739	2.1
128.06172	2.4
129.06984	8.7
131.08559	8.4
133.06502	2.5
133.09175	2.5
133.10114	35.5
135.08008	5.0
135.11674	3.7
137.05988	2.0
137.09583	3.1
138.84157	1.4
139.07501	1.6
143.08533	9.3
145.10158	1.9
147.04338	2.3
147.08044	12.6
147.11726	10.8
151.07433	1.8
157.10088	4.8
159.11682	22.2
161.09602	15.3
161.13240	100.0
163.51456	1.3
165.09058	4.3
168.21567	1.3
175.11163	12.0
175.14833	13.6
178.07613	1.7
179.10641	5.3
185.13219	19.1
193.15788	1.6
203.10779	1.4
203.14290	26.6
203.18057	1.4
206.10823	1.7
206.16182	7.7
221.04393	4.2
221.07884	2.0
221.11725	3.7
221.15323	56.0
221.18488	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	221.1168
Annotation	Precocene II
Peak:m/z	Relative Intensity
51.39980	0.1
53.03936	0.4
55.01857	0.7
65.03945	0.4
69.03411	0.1
71.74207	0.1
79.05481	1.0
81.03400	1.0
81.07044	1.5
83.01342	0.5
91.05465	1.5
94.04127	0.1
95.04932	0.4
98.21567	0.2
109.02871	1.9
109.05734	0.2
109.06499	5.8
119.04948	0.7
127.03894	2.9
137.05959	7.7
138.10182	0.1
147.04388	0.2
153.05487	0.8
154.17229	0.1
165.05453	100.0
166.05775	1.3
179.07054	0.2
183.06488	0.4
221.11705	25.3
222.12032	0.5
229.98618	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	221.1169
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.7
55.01857	1.0
58.86982	0.2
65.03916	0.3
69.91963	1.7
70.20010	0.2
79.05478	1.1
80.29475	0.3
80.45087	0.2
81.03399	0.9
81.07044	1.2
83.01344	0.4
85.30748	0.3
91.05447	1.7
93.07020	0.3
98.20686	0.3
109.02873	1.4
109.06503	5.7
119.04920	0.7
127.03897	3.1
137.05969	6.6
147.04393	0.4
153.05455	1.0
158.85298	0.3
165.05458	100.0
166.05759	1.7
179.07007	0.4
183.06528	0.3
221.11713	25.9
222.12059	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.117
Annotation	Precocene II
Peak:m/z	Relative Intensity
53.03937	0.6
55.01869	0.5
55.25342	0.1
65.03935	0.3
67.05495	0.4
69.98932	0.5
69.99358	0.2
79.05489	1.1
81.03410	1.1
81.07049	1.4
83.01315	0.6
83.04918	0.1
91.05469	1.3
95.04961	0.3
95.08623	0.2
100.87901	0.1
103.64410	0.1
109.02859	2.2
109.06508	5.9
109.10136	0.2
111.81859	0.1
119.04920	0.7
127.03900	2.6
137.05965	7.7
147.04411	0.5
149.71689	0.1
151.80789	0.1
153.05473	1.0
158.39412	0.1
165.05461	100.0
166.05794	1.5
179.07024	0.3
183.06471	0.4
201.16345	0.1
221.11708	26.2
222.12032	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.092
Annotation	7-HYDROXY-DL-TRYPTOPHAN
Peak:m/z	Relative Intensity
56.02162	0.5
59.90133	0.6
71.45471	1.3
74.02416	0.7
82.02937	2.3
94.06566	3.5
113.17609	0.6
120.08073	0.9
130.06517	64.2
131.06870	1.3
132.04436	38.1
133.04803	0.9
147.09163	0.8
148.07588	2.6
156.70061	0.5
157.07603	31.1
158.06004	76.1
158.71230	0.5
159.06328	1.7
175.08655	100.0
176.07088	2.1
176.08966	1.3
185.07100	1.0
186.05495	3.0
201.89320	0.6
203.08145	11.9
204.06561	3.2
221.09210	17.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0917
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	0.6
55.05498	1.6
56.05020	2.0
56.39956	0.4
57.03434	0.8
57.07066	1.1
59.04993	0.5
60.04525	0.8
61.01149	0.8
67.05494	2.0
69.03423	1.3
69.07044	1.4
70.02958	0.4
70.06589	3.2
71.04983	0.5
71.47466	1.0
72.04493	0.6
72.08142	2.6
74.02437	3.1
74.06065	0.8
75.03192	0.5
79.05479	1.3
80.04995	0.5
81.03410	1.0
81.07044	1.2
82.02924	2.8
82.06587	0.9
83.04975	0.7
83.08610	1.0
84.04484	1.6
84.08135	4.8
85.02905	5.2
85.04807	0.5
85.06531	0.5
86.06083	0.7
86.09698	0.5
86.50523	0.5
87.11027	0.4
90.05537	2.1
91.05409	1.0
92.01692	0.6
93.07040	0.8
94.06542	3.4
95.04946	1.3
95.08591	1.4
97.02892	0.7
99.04455	0.8
100.02224	0.6
100.07599	0.6
103.05472	1.3
104.05298	2.1
105.07043	1.6
106.06593	0.5
107.04912	0.7
107.08580	0.9
109.02854	0.9
109.06477	1.0
109.10156	1.5
110.07166	1.8
111.08094	2.2
115.05459	0.6
115.08697	0.6
116.03436	0.4
119.04914	0.6
119.08569	1.4
120.08110	1.8
121.06490	1.8
121.10168	0.6
123.08038	0.5
127.03908	0.9
127.08656	1.5
129.10240	0.9
130.06514	64.6
131.04916	0.9
131.06839	1.0
132.04439	41.8
132.06538	1.5
133.03098	1.7
133.06410	0.5
133.10094	1.4
134.06001	2.4
134.63506	0.4
135.08026	0.8
136.07625	0.8
137.05952	0.9
137.09558	1.0
140.04875	0.5
142.08630	1.6
145.04964	5.7
147.04382	1.0
147.08098	0.8
147.09116	1.2
147.11684	0.6
148.07565	3.3
150.05838	4.5
153.09073	1.2
156.06720	0.6
157.06273	0.8
157.07603	23.3
158.06000	78.9
159.06374	1.3
161.05969	1.6
161.09570	0.6
162.05499	2.4
165.09154	0.8
175.08655	100.0
175.14818	1.3
176.07094	2.3
176.09024	1.2
185.07095	0.9
186.05469	2.7
189.09941	0.6
193.15866	1.7
203.08200	3.7
203.10970	0.8
204.06561	6.9
205.05309	1.0
206.16220	0.9
221.04501	1.5
221.09232	18.3
221.11838	1.5
221.15384	1.6
221.18265	1.4
222.07927	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	220.1693
Annotation	Fabianine
Peak:m/z	Relative Intensity
64.20763	0.1
70.64275	0.6
70.64636	0.2
72.25091	0.1
73.82150	0.1
81.07063	0.2
91.05461	0.2
91.37053	0.1
106.06535	0.3
107.08598	0.3
114.95609	0.2
118.06529	10.3
119.07303	0.3
119.08598	0.2
128.64836	0.1
130.06627	0.2
132.08080	2.8
132.09042	0.2
133.08852	1.5
133.09941	0.2
134.09625	0.6
134.53029	0.2
144.08060	0.3
146.09618	3.2
146.10701	0.2
147.10419	0.4
148.11151	0.5
160.11198	0.5
162.09126	5.2
163.09789	0.2
163.11137	0.2
176.10767	3.8
176.14325	28.5
177.11461	1.5
177.14693	0.4
190.12244	3.3
202.15829	0.9
204.14435	0.3
205.15886	0.6
220.16936	100.0
221.17293	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	221.0919
Annotation	7-HYDROXY-DL-TRYPTOPHAN
Peak:m/z	Relative Intensity
55.01829	0.6
55.05495	0.9
57.07056	0.7
67.05475	1.5
69.07032	0.8
69.38644	5.6
70.06570	2.0
74.02428	1.0
79.05492	0.6
81.07044	1.7
82.02942	1.1
83.04947	0.6
83.08612	0.7
90.05541	0.5
91.05461	1.3
94.06560	4.1
95.04953	0.6
95.08576	1.0
101.74346	0.5
103.05447	1.6
105.07007	1.0
106.06535	1.9
107.04914	0.9
107.08604	0.7
109.10173	1.3
111.08065	1.6
115.05453	3.0
116.07056	1.4
117.05712	0.7
118.06515	0.7
119.08556	1.4
120.08069	2.2
121.06472	1.3
123.08038	0.7
127.07009	1.0
130.06519	47.9
131.04924	1.6
131.06859	1.3
132.04445	32.8
132.08081	1.2
133.05232	0.7
133.10106	1.1
134.06010	11.9
137.09589	0.6
146.05986	4.0
147.04401	1.1
147.06392	4.0
147.08112	0.7
147.09172	1.9
147.11623	0.7
148.07553	6.8
157.07613	18.9
158.06006	70.3
159.06621	2.4
160.07579	4.9
161.06007	1.1
162.05498	21.6
162.06876	1.0
163.06021	0.6
175.08661	100.0
176.07086	2.6
176.08997	2.2
186.05504	8.4
193.15880	0.7
204.06548	30.9
206.16255	0.5
221.09219	21.8
221.15329	1.4
221.18182	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	220.1441
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.4
55.04242	0.9
55.05493	1.0
55.91171	0.3
56.05038	0.5
57.03425	1.0
57.07069	1.6
58.06585	0.5
59.06116	0.5
60.90173	0.3
67.05502	0.9
69.07056	1.3
69.80452	2.5
70.06586	1.4
72.08155	3.1
79.05484	1.0
80.05051	0.5
81.03417	0.3
81.04535	2.0
81.07059	1.6
82.05312	2.4
83.04995	0.3
84.04499	1.0
84.08138	1.1
85.02892	0.4
86.09682	0.4
87.04472	0.5
87.63758	0.3
90.05568	0.6
91.05479	1.1
93.07049	0.8
94.06571	0.5
95.04958	0.8
95.08584	0.6
103.05465	0.6
105.07019	1.4
106.07338	0.3
107.06113	0.4
107.08607	0.5
108.05614	0.3
109.02875	0.6
110.07153	0.5
110.07854	0.8
118.06563	0.7
119.08575	1.4
120.08106	3.4
120.08883	0.7
121.06493	0.7
121.10144	0.5
122.06046	0.5
122.07159	0.8
122.10493	0.5
123.07925	58.2
124.07526	0.6
124.08318	0.5
127.85498	0.4
131.08560	0.3
131.76207	0.3
133.10107	0.9
134.06108	0.8
134.07135	12.7
134.09599	0.7
134.10474	0.5
135.08028	0.6
136.07553	0.4
136.08681	0.3
145.10147	0.9
145.28690	0.3
146.06061	0.5
146.07108	0.6
146.10489	0.6
147.04379	0.5
147.07945	2.6
147.11673	0.4
148.08629	2.3
148.12138	0.4
149.08372	0.5
149.09526	0.8
160.08688	0.7
161.05855	0.4
161.09607	0.6
162.10258	3.1
163.11055	1.4
172.08725	1.0
173.09480	1.8
175.83250	0.3
176.10597	0.6
177.12766	0.6
179.09248	0.4
186.10268	0.8
187.11047	1.1
188.11736	0.7
192.06471	0.7
192.14944	19.6
202.13402	26.2
203.13988	0.8
204.14613	3.1
205.15863	7.8
206.16127	0.4
220.14452	100.0
220.17599	12.3
221.04349	0.4
221.07957	0.4
221.14810	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	220.133
Annotation	Darlingine
Peak:m/z	Relative Intensity
52.79676	0.4
55.01883	0.5
55.05501	1.5
56.05036	1.0
56.96552	0.8
57.03427	2.3
57.07065	2.0
58.99582	1.8
67.05509	1.0
68.05008	0.8
69.03430	1.3
69.07053	1.4
70.06580	1.7
71.74226	0.6
71.74638	0.8
72.04485	0.5
72.08157	1.1
76.02219	0.9
79.05485	2.8
80.05006	0.5
81.03408	0.5
81.06602	0.8
81.07049	8.9
82.06584	0.8
83.04991	0.6
84.04487	2.0
84.08126	1.4
85.01120	1.2
85.02907	0.6
86.00648	1.4
86.09704	1.4
86.99040	1.1
87.02688	3.5
87.04459	66.4
90.05548	1.5
91.05471	2.0
93.07021	1.2
94.06558	0.5
94.07311	0.5
95.04955	1.2
95.08585	0.7
96.04486	1.3
99.08125	0.6
102.03741	0.8
103.05454	0.7
103.06871	0.5
105.00088	1.4
105.07022	1.9
106.06549	0.8
107.04936	0.5
107.08558	0.9
108.08920	0.7
109.02854	1.0
110.07143	1.0
110.34572	0.5
114.05498	0.6
115.05485	1.0
116.98589	0.5
117.06994	1.8
118.06534	8.1
118.07302	0.9
119.07316	7.2
119.08567	1.6
120.08120	0.8
120.08920	0.8
121.06479	1.3
121.10136	0.7
122.02747	2.5
122.06032	0.7
122.07112	0.5
122.10464	1.0
130.06487	0.9
131.08559	0.6
132.01144	1.5
132.08054	0.6
132.08910	0.9
133.10097	0.6
134.09639	100.0
135.08057	0.6
135.10004	1.3
136.06180	1.8
136.08553	0.6
136.12057	0.6
145.06497	0.6
145.10052	1.5
146.05881	0.7
146.06927	1.1
146.10506	0.7
147.04385	0.6
148.04254	2.1
148.08621	0.7
149.09521	0.6
150.09102	0.5
159.04742	2.3
161.05980	0.7
161.09605	0.8
161.13129	0.6
162.10080	0.7
164.10684	0.7
174.06377	1.0
175.07439	0.9
177.12656	1.3
179.09138	0.6
192.06541	1.4
192.10141	0.5
192.17499	0.7
193.15948	0.6
202.08943	3.2
202.18007	1.0
203.07303	0.7
204.14630	5.1
205.15872	13.1
220.06151	1.7
220.09749	2.3
220.13313	68.7
220.17760	21.8
221.13525	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	220.1177
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	1.8
55.05488	1.3
56.01377	1.3
56.36057	1.0
57.07079	8.0
59.04991	6.3
67.05502	7.6
69.07063	7.4
70.02642	1.2
70.02951	11.2
71.26350	2.1
72.04508	18.6
73.02911	5.9
74.02434	2.2
77.14715	1.2
81.07074	1.1
83.05010	1.3
84.04501	1.3
85.06536	13.2
86.09676	2.6
87.08099	1.9
90.05547	100.0
95.04960	7.7
96.08138	1.7
98.02409	17.9
100.03960	2.7
101.57785	1.1
103.07574	8.9
107.13962	1.1
111.29391	1.0
113.06010	3.5
116.03442	15.2
124.07589	17.8
130.06499	3.2
131.07028	1.6
132.04349	1.6
142.08655	8.4
146.05984	12.1
156.10207	1.8
158.06001	5.3
160.09717	2.6
166.08636	2.7
174.11235	1.5
175.08670	3.9
184.09676	19.7
202.10721	24.2
204.06519	3.2
204.14659	1.4
205.81294	1.3
220.11771	26.2
220.17868	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	220.1185
Annotation	Unknow
Peak:m/z	Relative Intensity
55.36844	0.1
57.07071	0.1
67.05501	0.3
69.07059	10.7
69.71252	0.9
70.04089	0.1
70.30843	0.1
80.08911	0.1
82.04052	1.4
84.04502	0.2
84.08111	0.1
88.78144	0.1
90.05531	0.3
92.12858	0.1
97.05128	0.4
98.03529	1.7
98.20761	0.1
105.06992	0.1
108.01933	0.3
110.03509	0.4
119.08617	0.1
120.08862	0.2
124.06194	2.1
125.04592	5.7
135.03006	0.6
136.06192	0.7
143.36649	0.1
152.05658	100.0
153.04190	0.6
153.06139	0.8
161.32777	0.1
164.05661	7.6
192.06477	0.2
204.14674	0.6
205.15862	1.1
220.11916	26.4
220.17717	2.1
221.12183	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	220.1178
Annotation	Sodium pantothenate
Peak:m/z	Relative Intensity
55.01865	0.7
57.07068	5.8
59.05000	4.7
67.05493	4.1
69.07068	4.7
70.02943	5.0
70.10764	2.2
72.04514	12.6
72.08141	0.8
73.02915	3.6
74.02425	1.0
81.07054	0.9
83.04987	0.8
85.06532	9.4
86.09692	1.7
87.08089	1.8
90.05545	100.0
91.05903	0.6
95.04950	6.6
95.95460	0.6
96.08127	1.4
98.02409	13.3
98.06036	1.0
100.03961	2.4
103.07566	8.3
113.05979	3.1
116.03442	16.7
124.07581	15.8
131.06999	0.9
140.10690	0.8
142.08621	9.0
156.10184	1.6
158.11746	4.6
160.09653	1.7
166.08601	2.1
174.11253	2.8
184.09680	22.9
185.05731	0.5
202.10728	30.5
205.15825	1.7
220.11783	30.5
220.17534	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	220.1177
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71225	0.6
55.01869	1.3
55.05522	1.4
57.07072	7.3
59.04992	5.3
67.05496	5.9
69.07062	5.2
70.02948	7.7
70.92147	1.1
70.92477	0.8
72.04508	13.2
73.02918	4.6
74.02429	1.9
76.86101	0.6
77.84035	0.6
79.05493	0.8
81.03402	0.6
81.07060	1.1
83.04964	0.9
84.04512	2.1
85.06538	11.7
86.09685	1.4
87.08108	1.6
87.87287	0.6
90.05546	100.0
92.14304	0.6
95.04951	7.0
96.08121	3.2
98.02411	15.1
100.03960	2.9
103.07569	7.8
109.02911	1.0
113.05992	2.7
116.03439	14.1
116.04208	1.0
124.07580	18.0
130.06511	0.9
130.08577	0.8
132.04443	1.0
142.08620	6.7
146.05988	5.4
156.10220	0.7
158.05989	1.9
160.09680	2.0
166.08655	3.2
174.11261	2.1
175.08667	2.7
184.09673	19.3
184.11266	1.3
192.06596	1.1
202.10732	27.9
204.14619	1.7
205.15878	2.5
220.06009	0.9
220.11777	27.7
220.17729	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	219.1338
Annotation	H-Ser-Leu-OH
Peak:m/z	Relative Intensity
55.01897	0.6
55.05510	1.6
55.73281	0.5
56.05038	0.7
57.07076	1.3
57.81055	0.5
60.04519	100.0
61.99448	0.5
64.61240	0.5
67.05500	2.0
69.03431	0.6
69.07069	2.0
69.70003	4.0
70.02956	1.4
70.06577	1.3
72.04523	1.4
72.08131	1.5
73.02899	1.1
79.05485	1.6
80.74757	0.5
81.07041	3.1
83.04973	1.4
84.04501	1.5
84.08167	0.9
85.06552	0.8
86.09696	73.8
87.05590	3.8
87.10052	0.7
90.05548	4.1
91.05487	2.3
93.07047	2.2
95.04979	1.5
95.08594	1.3
98.02423	1.0
98.97585	1.1
103.05448	0.9
105.07035	3.2
107.08556	2.5
109.02855	0.6
111.04410	0.9
116.03454	0.6
116.98646	1.0
118.06491	0.7
119.04937	0.9
119.08561	5.4
120.08067	0.6
121.10139	5.4
123.08018	0.9
124.07545	1.1
126.17110	0.5
127.73080	0.5
128.10712	2.5
131.08548	2.3
132.10188	48.4
133.10081	4.8
134.99603	0.6
135.11694	1.0
137.09601	0.5
137.67606	0.5
143.08453	0.6
145.06508	0.9
145.10141	2.1
146.06000	1.1
147.08041	1.1
147.11671	1.8
155.11745	0.7
157.10115	0.6
159.11638	1.0
160.12503	0.6
161.09644	2.1
161.13239	2.1
173.05969	0.7
173.09602	1.0
173.12846	26.4
174.05580	0.7
175.14824	1.1
177.05470	0.6
184.09677	1.3
187.11226	1.7
188.11951	1.0
190.08635	1.6
190.56802	0.5
192.06502	0.8
201.05974	0.5
201.12346	3.6
202.10735	1.6
203.14301	23.9
205.15901	1.0
217.31270	0.5
219.06451	1.1
219.13524	7.8
219.17416	68.8
220.05974	0.7
220.09686	1.8
220.11661	1.0
220.17737	0.7
229.98679	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	220.1178
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	1.5
55.05504	1.3
56.01381	0.8
57.07065	6.8
59.04992	5.1
67.05503	5.7
68.05823	0.7
69.07050	5.5
70.02950	6.2
70.06580	0.9
70.17296	3.2
72.04508	15.0
72.08141	2.5
73.02906	2.8
73.06537	0.7
74.02441	1.7
78.50594	0.7
79.05489	0.9
81.07048	2.0
83.04996	0.6
84.04516	0.9
85.06538	10.5
86.06071	1.3
86.09702	1.7
87.04455	4.6
87.08088	2.0
90.05543	100.0
95.04954	6.8
96.08139	1.9
98.02402	15.1
98.06033	6.2
100.03981	2.7
103.07563	8.2
112.07568	1.0
113.05982	2.0
116.03439	15.1
124.07573	16.5
130.06531	1.4
131.07007	1.0
140.10661	4.2
142.08600	6.7
156.10216	0.9
158.06029	1.0
158.11742	20.4
160.09703	3.1
161.06067	0.7
166.08647	2.3
174.11227	2.6
175.08676	2.2
184.09666	20.8
202.10728	26.7
202.14401	1.8
204.14627	2.4
205.15828	3.2
220.06125	0.8
220.11768	27.8
220.15417	2.6
220.17647	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	219.1014
Annotation	1,2,3-Trimethoxynaphthalene
Peak:m/z	Relative Intensity
53.03959	0.9
55.05508	0.8
57.03420	1.7
67.05498	2.2
69.03416	0.9
69.07053	1.2
71.21474	1.6
71.21815	1.0
73.88998	0.7
79.05489	1.7
81.07054	3.0
83.04948	1.1
91.05473	11.8
93.07054	2.0
95.04945	1.2
99.78355	0.9
100.82000	0.8
103.05458	2.5
105.06993	4.6
107.08588	2.3
115.05439	10.8
116.06242	3.5
116.06970	0.7
117.07014	3.7
119.08576	3.8
121.10138	4.4
128.06201	8.4
129.06993	39.5
130.04092	1.0
130.07851	3.7
131.04933	10.1
131.08554	39.8
131.61537	0.8
133.10078	3.8
135.11694	1.3
137.05933	3.5
141.06970	37.0
142.07477	0.9
143.04938	1.6
143.08528	3.0
144.05716	6.5
145.06473	9.0
145.10136	1.9
146.07294	5.3
147.11670	1.5
148.05177	1.4
151.07532	0.8
155.06021	1.1
156.05669	1.2
157.06477	22.8
158.07262	23.7
159.04449	4.3
159.08040	29.3
159.11690	1.0
160.05188	5.4
161.05949	2.1
161.09608	4.8
161.13187	1.7
163.07574	1.5
168.05710	1.2
169.06450	15.3
169.07701	1.6
170.07268	7.8
170.10817	1.3
173.05980	5.9
173.09581	1.6
174.06743	80.1
175.07495	11.9
175.14700	0.8
176.04564	1.1
185.05962	1.6
186.06740	18.1
187.07478	2.4
187.11194	1.3
188.08385	4.2
189.09087	100.0
190.09465	3.1
191.07028	1.7
191.10660	8.2
201.09084	36.7
203.12561	0.4
203.14281	15.1
219.10139	90.0
219.13719	2.1
219.17400	47.1
220.10515	1.7
220.17863	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1338
Annotation	Ile-Ser
Peak:m/z	Relative Intensity
55.01862	0.6
55.05501	2.0
56.05030	2.2
56.96558	2.5
57.03433	0.8
58.06598	0.8
60.04521	1.4
60.57632	0.5
67.05501	1.1
69.03420	0.6
69.07058	7.4
70.06581	1.2
70.59258	0.9
72.04529	0.6
72.08152	13.4
73.06535	0.4
74.02431	0.7
74.06072	14.8
77.21368	0.5
79.05479	1.4
81.07050	1.2
82.06570	1.6
83.04967	0.8
84.04492	5.2
84.08147	1.4
85.02903	1.6
85.06529	0.5
86.09698	100.0
87.10031	0.6
90.05538	1.8
90.09188	3.8
91.05450	1.1
93.07041	0.6
95.04943	0.6
98.97584	1.2
99.04456	0.8
102.05516	0.7
105.07017	1.2
107.08557	0.7
110.07172	0.5
113.51868	0.5
116.98571	0.9
117.48521	0.4
118.08642	2.1
119.01876	1.2
119.08599	2.6
121.10139	2.2
128.10666	0.7
130.05019	1.6
131.08557	0.5
133.10109	1.4
134.99673	0.7
136.07562	0.5
141.10204	1.2
142.08643	1.0
145.10126	0.6
147.11609	0.7
156.10176	1.2
157.03456	0.9
159.08002	0.7
161.01233	0.7
161.09660	0.7
161.13206	0.8
173.02933	1.2
173.12901	2.4
175.14778	0.8
177.00842	0.5
178.05977	0.5
184.09666	1.9
184.35194	0.6
201.12276	2.8
202.10774	1.6
203.14297	7.5
219.13579	3.4
219.17424	31.2
220.17804	0.5
236.21466	0.5
236.99106	1.7
237.02760	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1013
Annotation	1,2,3-Trimethoxynaphthalene
Peak:m/z	Relative Intensity
57.03415	1.9
57.07051	1.0
58.07378	0.8
62.94799	0.6
65.03930	0.9
67.05471	0.9
70.06568	2.1
70.10606	3.7
71.06905	1.7
71.08604	0.9
77.62427	0.7
78.02828	0.7
82.67295	0.6
82.79700	0.6
86.27351	0.6
86.82793	0.6
88.07633	3.6
89.07954	2.0
91.05471	11.1
102.09191	0.8
103.05444	3.3
105.07002	1.5
106.08650	1.3
115.05439	10.0
115.50869	0.7
116.06238	4.1
117.06995	3.0
119.08548	1.1
128.06219	11.4
129.06989	44.7
130.07722	2.8
131.04922	9.0
131.08551	37.9
131.09566	1.0
133.06538	0.6
133.10095	0.8
136.24294	0.8
137.05943	4.2
139.33351	0.6
140.06168	0.8
141.06975	35.7
142.07462	1.0
143.04933	2.2
143.08534	1.9
144.05681	7.0
145.06456	8.3
146.07242	5.8
147.04420	1.0
147.08015	0.7
147.49051	0.8
148.05196	0.9
155.06013	0.9
155.08524	0.7
156.05652	1.2
157.06477	23.3
158.07262	24.7
159.04431	3.9
159.08038	25.9
160.05196	5.6
160.08746	0.8
161.05954	1.4
161.09602	3.6
162.06708	0.7
163.07556	2.6
168.05637	1.5
169.06445	16.2
169.07521	1.2
170.07265	8.3
171.08116	1.0
173.05971	4.8
173.09534	1.0
174.06746	85.8
175.07512	11.6
185.05977	1.6
186.06744	20.5
187.07460	2.0
188.08310	4.2
189.09085	100.0
190.09477	2.7
191.06967	1.2
191.10632	7.0
201.09091	40.0
201.20345	2.0
202.09413	1.4
203.14296	1.8
219.10143	91.7
219.17349	5.6
219.21466	30.1
220.10506	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1013
Annotation	1,2,4-Trimethoxynaphthalene
Peak:m/z	Relative Intensity
57.03427	1.1
67.05496	1.3
67.48173	0.7
68.05215	0.8
70.13234	4.3
74.40364	0.8
77.91229	0.8
79.05478	0.8
91.05470	13.9
95.04942	1.0
101.06630	0.9
102.04651	2.0
103.05444	3.3
105.07021	2.0
107.08561	1.1
115.05441	14.3
116.06240	4.1
117.07008	4.7
118.18400	0.9
119.08544	2.3
121.06482	1.3
121.10101	1.2
128.06200	13.5
129.06992	47.5
130.04158	2.3
130.07733	3.5
131.04897	9.0
131.08554	41.2
133.06454	1.1
133.10094	1.9
137.05948	6.1
141.06978	40.6
142.07321	1.6
143.04897	3.1
143.08531	3.2
144.05673	5.8
145.06482	16.0
145.10126	0.9
146.07271	6.6
147.04329	1.2
148.05167	1.2
153.82419	0.8
155.06055	1.2
156.05679	1.0
157.06477	24.0
158.03604	3.3
158.07266	24.0
159.04436	5.4
159.08052	28.6
160.05183	7.2
161.05992	2.3
161.09546	3.7
163.07506	2.2
168.05759	1.9
169.06444	17.5
169.07695	2.0
170.07259	7.2
171.04338	1.1
171.08054	1.2
173.05956	13.1
173.09554	1.5
174.06747	85.4
175.07523	14.3
176.08339	1.1
177.05359	1.5
185.05940	0.9
186.06737	20.7
186.73941	0.9
187.07439	1.9
188.08330	4.6
189.09087	100.0
190.07835	1.6
190.09448	3.0
191.07021	2.0
191.08908	1.4
191.10646	8.4
201.05458	11.2
201.09087	40.2
203.14363	5.7
219.08261	4.0
219.10132	96.7
219.17374	16.8
220.10521	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.0651
Annotation	Ancistronaphthoic acid B
Peak:m/z	Relative Intensity
55.01860	0.6
55.05493	0.9
58.70858	0.4
64.41830	0.4
67.05504	1.3
69.03429	0.6
69.07066	0.9
69.72116	0.4
70.06593	0.5
70.19364	2.3
72.08135	0.5
77.03959	0.4
79.05491	1.1
81.07039	2.9
83.04971	0.5
86.09687	0.4
87.02688	0.4
91.05470	5.1
93.07043	2.2
95.04968	0.6
95.08595	1.5
101.05984	0.4
103.05459	5.3
105.07014	3.1
107.04941	1.3
107.08598	1.4
115.05444	7.2
116.06183	0.8
117.07016	18.9
118.07294	0.7
119.04948	2.1
119.08588	3.3
121.02920	0.5
121.06537	0.6
121.10118	3.3
127.05407	2.3
128.06224	0.6
130.07741	0.4
131.04916	15.5
131.08578	1.3
133.06497	2.0
133.10123	3.1
135.08073	0.5
135.11705	0.7
144.05682	1.4
145.06477	100.0
145.10138	1.3
146.06841	1.6
147.04420	2.5
147.08025	1.0
147.11682	1.1
149.05972	2.5
155.06032	10.2
159.04399	6.5
159.08110	0.7
159.11624	1.1
161.09656	1.0
161.13272	2.1
163.03871	1.1
173.05972	98.2
173.13295	1.3
174.06381	2.2
175.03903	1.3
175.07411	0.5
175.14874	0.6
176.04565	1.0
177.05457	1.8
187.11092	0.8
188.11949	0.5
189.66563	0.4
191.07050	0.8
194.05597	0.8
201.05452	3.4
201.12828	0.9
201.16342	0.4
202.08890	0.4
203.14314	14.6
219.04654	0.7
219.06558	14.5
219.09895	0.7
219.17430	47.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1013
Annotation	1,2,3-Trimethoxynaphthalene
Peak:m/z	Relative Intensity
53.09083	0.8
55.01867	0.9
55.35219	0.8
57.03422	1.9
57.06704	0.8
63.71953	0.8
67.05481	1.2
69.43414	2.1
69.43836	6.5
78.28730	0.9
79.05489	1.6
91.05475	12.3
95.04967	1.0
102.04657	0.8
103.05447	3.6
105.07005	2.9
107.08611	0.8
114.52910	0.9
115.05438	12.2
116.06212	3.3
117.06983	4.3
119.08540	3.0
121.10098	1.3
128.06195	11.1
129.06993	44.4
130.07741	2.9
131.04919	10.1
131.08559	38.8
132.05627	0.9
133.10120	2.7
137.05931	4.9
141.06982	38.9
142.07620	0.8
143.04857	3.0
143.08511	1.9
144.05685	7.3
145.06467	8.7
146.07262	5.6
148.05202	1.6
155.04951	1.0
157.06473	25.9
158.07259	25.6
159.04443	5.3
159.08046	30.3
160.05164	5.3
160.08589	1.0
161.05978	2.7
161.09589	5.3
161.13316	1.3
163.07489	1.8
169.06464	16.4
169.07623	1.1
170.07253	10.1
171.07979	1.6
173.05954	5.5
173.09616	1.5
173.13245	1.4
174.06747	88.6
175.07545	12.2
176.08386	0.9
185.05925	1.6
186.06741	20.1
187.07436	2.1
188.08319	4.3
189.09087	98.9
190.09392	2.4
191.07007	1.3
191.10648	6.5
201.09099	42.4
202.09311	1.8
203.14323	7.0
219.10143	100.0
219.17410	21.1
220.10541	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	218.1022
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	4.7
55.32876	1.3
56.05000	1.4
56.05823	1.7
57.07077	1.4
60.05622	1.4
69.03432	1.4
69.07053	10.8
70.02946	2.5
70.06575	5.2
71.22290	3.8
72.08141	1.9
74.02417	5.2
83.04968	6.8
84.05302	4.5
84.08121	4.3
84.08958	1.1
86.09695	92.3
87.00822	10.3
89.02272	1.5
90.06360	1.3
91.05471	2.1
98.02399	1.9
101.05986	1.9
102.06306	1.9
102.26906	1.2
104.03456	24.6
105.06996	1.7
111.04438	7.1
112.03942	22.6
112.04760	8.6
112.07584	5.7
116.03443	31.7
117.06961	1.5
117.82133	1.5
119.08530	1.9
119.25661	1.5
120.08067	3.9
121.10088	1.5
129.05467	2.0
130.04959	1.6
130.05786	2.6
130.08606	3.9
131.08539	2.2
132.10170	2.2
133.10092	2.2
145.10097	1.2
147.04410	1.6
154.08626	7.0
155.06967	3.0
156.07356	13.8
172.09674	100.0
173.08104	1.5
173.10072	1.1
174.06859	1.6
174.08371	7.5
203.14351	5.8
218.08051	3.7
218.10997	6.6
219.13957	1.4
219.17374	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	219.0263
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88903	6.2
53.02235	6.8
55.05494	11.5
56.02525	6.9
64.56571	6.5
67.52283	6.1
68.65059	6.5
69.07050	7.7
70.25682	37.7
72.08148	100.0
74.06062	12.4
77.96786	7.4
84.04487	20.1
84.08129	27.5
86.09695	50.2
96.67509	7.0
98.21367	11.9
98.97586	13.3
117.71265	7.8
121.01612	8.7
124.50327	7.9
147.03149	10.2
155.64423	7.1
167.51642	7.3
173.02992	7.9
203.14267	14.8
219.14008	9.9
219.17387	53.6
237.44325	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	219.0263
Annotation	Unknow
Peak:m/z	Relative Intensity
70.04285	60.6
70.04694	28.6
71.09408	14.7
77.40979	11.9
77.97679	12.3
84.08151	23.2
93.51190	13.1
94.06553	13.6
94.93000	100.0
98.97613	18.1
99.97314	14.3
118.67337	13.5
133.03481	19.2
203.14314	18.0
219.08408	30.5
219.17377	71.5
227.85483	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	217.1546
Annotation	L-Valyl-L-valine
Peak:m/z	Relative Intensity
51.14722	0.3
53.03931	0.8
55.01868	1.3
55.05505	30.1
56.05032	0.9
56.94303	0.3
56.96559	3.9
57.03425	0.7
57.05800	0.8
57.07060	0.6
57.47234	0.3
58.06589	0.3
59.04987	2.2
60.04510	0.8
60.11104	0.3
65.03959	0.7
67.05493	2.4
68.05029	0.6
69.03425	2.0
69.07057	1.0
69.67640	1.4
69.68051	0.8
70.06585	3.4
70.95879	0.5
70.98128	0.3
71.04989	0.8
71.06917	0.6
72.08147	100.0
72.93791	0.7
73.02911	1.4
73.06554	0.4
73.08483	0.9
74.06071	0.4
74.97612	0.4
79.05476	0.7
81.03415	0.8
81.07040	1.0
83.04971	33.4
83.08618	2.0
84.04474	0.6
84.05296	0.5
84.08131	3.1
84.96056	0.3
85.02903	1.1
85.06516	2.3
86.06043	0.6
86.09702	0.7
87.04456	4.0
88.96872	0.6
89.02390	3.3
89.06023	5.8
90.94833	0.5
91.05479	1.1
93.03436	1.0
93.07027	0.7
95.04972	1.1
95.08607	0.4
95.18802	0.3
97.02887	0.8
98.97564	2.4
99.04434	2.6
101.06011	13.2
105.07006	1.4
107.04940	0.7
107.08530	0.3
111.04431	40.8
111.08074	1.0
112.04011	0.3
112.04754	0.5
112.07604	0.4
113.05996	4.9
116.07095	0.8
116.98573	1.5
117.06995	0.4
118.08643	3.1
119.01899	0.8
119.04948	0.9
119.08595	0.6
121.10121	0.4
126.09136	1.3
127.07539	6.1
127.09490	2.1
128.06247	0.3
128.98625	0.6
129.05470	15.4
129.07018	1.3
129.10211	1.6
130.06595	0.3
130.08667	1.3
131.04935	0.5
131.08580	0.9
132.95827	0.7
133.06433	0.5
133.10121	0.6
134.06041	0.4
134.99623	1.5
137.05966	1.7
142.07744	0.4
143.06023	0.5
143.08571	0.6
143.11800	0.3
144.08110	0.4
144.95822	0.7
145.03453	0.5
145.06358	0.4
145.10078	0.9
146.06012	0.7
146.99573	0.5
147.06480	0.8
147.08047	0.4
147.11580	0.5
150.96863	1.4
155.07013	56.8
156.07425	0.7
157.10097	0.6
159.07982	0.6
159.11655	1.5
161.05908	0.5
161.07140	0.5
161.09695	0.5
162.96883	0.8
171.05519	0.9
171.11685	0.7
171.14948	1.2
172.06209	0.4
173.08089	33.7
174.99023	0.6
175.07411	0.3
175.11232	0.4
177.00652	0.7
186.04387	0.9
186.96877	0.7
193.00218	1.1
199.05197	0.6
199.09644	3.7
199.11566	3.3
199.14728	0.7
200.08997	0.7
200.17622	0.4
211.01192	0.4
217.06500	1.9
217.10684	26.6
217.12555	5.3
217.15472	4.5
217.20198	1.1
218.10970	0.4
234.98784	0.3
237.02907	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.0857
Annotation	Noraucuparin
Peak:m/z	Relative Intensity
53.03927	1.3
55.01868	3.3
55.05503	29.0
59.04994	3.4
65.03928	1.0
67.05497	3.0
69.03423	1.7
69.07078	1.0
70.06583	2.2
71.04977	1.2
72.08174	1.0
73.02890	1.8
79.05479	1.5
80.67701	0.8
81.07040	1.4
83.04971	48.5
83.08607	2.6
84.05347	0.9
84.08141	1.2
85.06536	2.6
87.04452	5.7
89.02378	5.4
89.06013	8.7
91.05470	11.4
93.07049	1.0
95.04963	1.8
95.08601	0.8
99.04444	2.6
101.06006	17.0
103.05485	2.6
105.07001	4.1
107.04945	1.5
107.08589	0.9
111.04431	59.4
111.08070	1.4
113.05997	7.4
115.05443	5.7
116.06234	6.7
117.07033	2.1
118.04234	1.0
119.04929	1.3
119.08592	1.8
121.06501	1.9
126.09174	1.2
127.05447	1.1
127.07545	7.8
127.09457	2.4
128.06207	18.9
129.05489	18.4
129.06981	27.9
131.04912	6.0
131.08537	7.7
133.06499	2.2
133.10115	1.7
137.05919	2.3
141.06953	2.1
143.04819	0.9
143.08580	1.1
144.05693	18.2
144.06857	1.3
145.06470	6.9
145.10123	1.3
146.07271	8.2
147.07988	2.6
155.04927	2.0
155.07014	77.1
156.05679	7.2
157.06462	18.3
157.07651	1.7
157.10176	1.9
158.07220	1.1
159.08034	41.5
159.11736	2.3
160.05176	2.7
161.05984	2.1
161.09604	26.3
168.05695	1.9
171.04401	4.3
171.08012	5.7
171.11620	2.0
172.05177	66.4
173.05710	2.9
173.08076	42.3
174.06741	7.9
175.07579	1.9
184.05206	2.8
185.05927	6.4
186.06743	4.4
187.07521	100.0
188.07912	1.9
189.09068	9.1
198.11130	0.8
199.07539	16.4
199.09608	4.6
199.11510	5.4
202.06267	1.0
217.05144	1.4
217.08583	23.7
217.10712	33.6
217.12555	6.1
217.15878	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	217.0857
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	1.3
55.01868	3.3
55.05503	29.0
59.04994	3.4
65.03928	1.0
67.05497	3.0
69.03423	1.7
69.07078	1.0
70.06583	2.2
71.04977	1.2
72.08174	1.0
73.02890	1.8
79.05479	1.5
80.67701	0.8
81.07040	1.4
83.04971	48.5
83.08607	2.6
84.05347	0.9
84.08141	1.2
85.06536	2.6
87.04452	5.7
89.02378	5.4
89.06013	8.7
91.05470	11.4
93.07049	1.0
95.04963	1.8
95.08601	0.8
99.04444	2.6
101.06006	17.0
103.05485	2.6
105.07001	4.1
107.04945	1.5
107.08589	0.9
111.04431	59.4
111.08070	1.4
113.05997	7.4
115.05443	5.7
116.06234	6.7
117.07033	2.1
118.04234	1.0
119.04929	1.3
119.08592	1.8
121.06501	1.9
126.09174	1.2
127.05447	1.1
127.07545	7.8
127.09457	2.4
128.06207	18.9
129.05489	18.4
129.06981	27.9
131.04912	6.0
131.08537	7.7
133.06499	2.2
133.10115	1.7
137.05919	2.3
141.06953	2.1
143.04819	0.9
143.08580	1.1
144.05693	18.2
144.06857	1.3
145.06470	6.9
145.10123	1.3
146.07271	8.2
147.07988	2.6
155.04927	2.0
155.07014	77.1
156.05679	7.2
157.06462	18.3
157.07651	1.7
157.10176	1.9
158.07220	1.1
159.08034	41.5
159.11736	2.3
160.05176	2.7
161.05984	2.1
161.09604	26.3
168.05695	1.9
171.04401	4.3
171.08012	5.7
171.11620	2.0
172.05177	66.4
173.05710	2.9
173.08076	42.3
174.06741	7.9
175.07579	1.9
184.05206	2.8
185.05927	6.4
186.06743	4.4
187.07521	100.0
188.07912	1.9
189.09068	9.1
198.11130	0.8
199.07539	16.4
199.09608	4.6
199.11510	5.4
202.06267	1.0
217.05144	1.4
217.08583	23.7
217.10712	33.6
217.12555	6.1
217.15878	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	217.068
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.9
55.01856	1.6
55.05244	1.4
55.05509	25.8
55.93523	1.2
56.05016	2.0
56.94304	2.3
56.96565	9.5
57.03407	1.1
57.05801	0.9
58.06299	1.0
58.06585	1.8
59.05000	2.5
60.04518	0.9
60.05630	1.3
61.02902	1.3
67.05492	3.1
69.03414	2.9
69.07061	0.9
69.52051	4.9
69.52475	3.3
70.06584	32.3
70.95859	2.7
70.98119	1.4
71.04973	2.7
71.06920	3.1
72.04524	1.0
72.08147	100.0
72.93784	7.7
73.02904	2.3
74.06062	1.8
76.50854	0.9
81.20725	0.8
83.04967	32.5
83.08595	1.0
84.04496	8.1
84.08144	12.1
85.02888	4.1
85.06519	2.5
86.06052	3.4
87.04462	4.1
88.07612	3.1
88.99155	1.0
89.02383	3.1
89.06032	5.0
89.10793	1.0
90.36638	0.9
90.94833	6.2
91.05483	0.9
96.04478	1.4
97.06511	0.8
98.21093	3.7
98.97558	3.3
99.03743	0.9
99.04437	2.9
101.00861	1.9
101.06007	11.1
102.05557	1.7
102.96843	1.2
103.02410	1.1
104.00723	0.8
104.22399	1.1
105.07010	1.6
108.08100	2.1
108.95854	2.0
111.04430	36.3
112.07589	2.2
112.08793	0.9
112.11232	1.3
113.05997	6.4
114.09156	2.3
115.08713	1.1
116.07074	6.4
116.96365	1.2
116.98622	4.1
118.08637	1.7
119.01899	8.1
119.08630	1.2
120.01997	1.2
120.97926	1.0
121.01632	1.4
121.03439	1.3
126.09145	15.0
127.07559	5.6
127.08376	0.9
127.09457	2.0
128.07098	1.3
128.98593	1.3
129.05472	15.1
129.06934	0.9
129.10257	2.8
130.04988	13.3
130.05867	1.4
130.08656	2.4
131.01921	1.0
132.95840	9.8
133.03482	1.7
134.99654	3.6
137.02902	2.3
137.05992	1.7
138.09181	2.3
143.08487	0.9
144.95808	8.8
145.03485	5.1
146.97313	1.3
146.99701	1.9
150.96875	9.0
154.08612	33.6
154.12181	1.2
155.07013	50.0
155.97330	1.2
157.09784	1.2
158.08102	3.3
158.97466	1.9
159.11751	1.7
160.02820	1.0
160.97583	1.7
161.02910	1.2
162.96889	14.8
163.04469	2.6
167.01990	0.9
168.95815	1.0
171.01358	1.8
171.11356	3.9
172.09737	1.7
173.03017	1.3
173.08087	29.7
174.96855	1.5
174.99135	3.6
176.98418	1.2
186.96878	13.1
188.98552	0.9
189.00784	1.0
189.02420	1.9
191.04008	1.8
193.00177	8.8
194.03102	1.4
199.06377	1.1
199.09656	2.7
199.11548	3.7
200.09055	6.7
200.17593	2.2
203.03819	1.1
204.98016	2.8
211.01408	1.1
211.90161	0.9
212.04149	1.2
217.06865	55.9
217.10657	22.7
217.12657	7.1
217.15523	6.0
217.20215	3.8
218.07008	1.2
227.99588	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	215.164
Annotation	Putaminoxin E
Peak:m/z	Relative Intensity
53.66306	4.6
54.53724	6.2
55.05519	32.1
60.13573	5.7
65.03928	7.0
67.05494	37.9
69.03448	8.0
69.07062	34.0
70.06578	23.5
71.04965	19.9
71.73554	8.2
79.05476	25.4
81.03416	7.8
81.07058	83.1
83.04984	8.7
83.08610	23.6
84.08140	10.3
85.06528	16.0
91.05470	39.6
92.30010	6.4
93.07028	25.3
95.08598	100.0
97.06534	20.9
97.10149	6.5
98.62946	5.6
99.08072	5.8
105.07020	41.0
107.08598	22.3
109.10140	12.9
117.07007	9.0
119.08566	46.1
121.10168	6.9
121.30386	5.8
126.09128	43.5
128.06215	8.8
131.08559	20.9
132.95857	12.4
133.10121	34.2
135.11688	19.7
137.13293	14.5
141.06973	6.7
145.10114	26.3
150.96898	23.3
155.08652	7.4
156.09178	6.9
157.10175	6.4
159.08025	10.9
159.11638	28.0
161.13246	65.6
169.10165	7.8
173.09637	12.5
173.13301	14.0
179.14287	23.7
187.07536	10.9
197.13225	15.6
197.15303	10.6
198.11267	45.7
215.07021	19.5
215.10886	10.2
215.14320	36.6
215.17938	48.1
216.12308	57.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	215.164
Annotation	Putaminoxin E
Peak:m/z	Relative Intensity
55.05511	26.4
57.03426	6.6
62.04048	4.3
62.24240	3.7
66.46321	4.3
67.05496	35.9
69.07058	23.8
70.06592	27.3
71.04987	23.8
71.73084	8.6
72.08137	5.9
74.09705	7.4
75.71487	4.8
79.05476	19.6
79.98352	3.8
81.03426	5.0
81.07045	52.3
83.04991	6.8
83.08614	11.3
85.06528	13.8
91.05470	22.0
93.07029	15.5
95.04988	6.0
95.08607	69.4
97.06509	17.6
97.10131	4.7
98.98466	7.6
100.07647	4.7
105.07023	33.9
107.08568	10.2
109.10132	8.4
117.06994	11.9
119.08556	34.8
121.10138	8.2
126.09145	64.0
128.07155	5.5
128.14349	4.7
129.06996	5.1
131.08568	23.8
132.95834	5.9
133.10089	16.1
135.11665	8.9
137.13239	11.0
143.08589	7.1
145.06519	6.0
145.10112	30.7
150.96872	18.5
155.08553	19.8
156.09348	9.2
157.10124	8.3
159.08028	11.3
159.11728	12.9
161.13254	36.4
166.58481	4.1
169.10205	6.2
171.11618	7.8
173.09633	14.3
173.13284	8.3
179.14313	17.7
182.10945	7.6
185.09619	8.2
187.07495	5.2
187.11266	4.2
187.14882	6.2
191.97099	5.7
197.05998	7.0
197.13226	23.8
197.15077	8.1
198.11250	57.8
211.84425	4.1
215.07045	10.0
215.10745	17.6
215.14346	61.3
215.17847	27.9
216.12303	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	215.016
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	3.8
56.05017	2.0
56.96549	2.9
57.04548	3.2
58.06593	3.8
63.14805	1.4
67.54800	1.8
69.79209	10.6
70.06580	23.8
72.07764	2.2
72.08144	30.5
73.02900	2.5
74.09698	1.5
79.05453	2.7
82.06558	3.0
83.13384	1.4
84.04469	2.4
84.08116	7.4
85.02892	2.1
86.09706	2.5
95.06076	3.1
102.84715	1.5
106.06541	36.5
108.08104	5.2
109.07614	5.9
113.77403	1.6
116.07083	21.6
116.98637	2.1
119.01875	3.6
123.09179	30.6
124.07545	2.7
129.65186	1.7
131.01875	3.2
133.07593	4.3
134.05991	17.2
142.08630	5.5
144.64995	1.5
150.96860	3.1
151.08638	39.7
152.07031	10.6
169.09700	74.2
169.13324	11.3
173.02863	2.3
180.06506	4.2
197.09215	10.4
215.01596	26.5
215.10260	100.0
215.13716	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	215.016
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90302	4.2
51.57042	3.7
52.71768	4.0
56.96564	23.3
69.79856	10.4
69.80267	17.1
70.06567	9.4
71.78005	4.2
72.08150	9.5
77.42252	4.5
98.97593	7.0
101.35507	4.2
106.06561	8.3
116.07016	4.8
119.01897	4.3
123.09195	8.1
129.86615	4.2
132.95801	10.0
134.05948	4.3
150.96870	23.2
151.08650	11.6
169.09641	23.0
169.13231	3.9
190.98587	8.3
191.97151	7.0
208.99782	4.3
209.98483	4.5
215.01604	100.0
215.10222	26.1
215.13921	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	214.1799
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.2
55.01860	2.0
55.05507	47.1
56.05027	1.4
56.05830	1.2
56.96555	2.4
57.03418	3.0
57.07070	2.4
59.04970	1.4
62.62025	1.1
65.03938	1.7
67.05499	29.9
69.03419	3.1
69.07063	47.4
70.06596	7.0
70.07399	1.3
70.85445	0.9
71.04990	6.1
71.06897	1.1
71.73395	1.8
71.74100	1.0
72.08129	1.5
73.06542	4.2
79.05477	14.6
81.07048	81.6
82.06567	4.2
82.07354	1.8
83.04989	6.2
83.08611	42.6
84.08125	3.0
85.02870	1.2
85.06538	7.2
90.94813	1.0
91.05479	16.9
91.06033	1.5
93.07031	20.7
93.08620	1.0
95.04955	4.6
95.08599	100.0
96.08919	1.8
97.06518	15.9
97.10173	15.2
98.06013	1.2
98.09658	1.8
98.97576	2.3
99.04408	1.1
99.08089	2.8
100.07600	1.5
101.06017	2.4
101.39593	0.9
103.05431	1.0
105.07016	20.4
107.08602	7.7
109.06499	4.4
109.10157	8.3
111.08127	5.3
111.08728	0.9
112.07630	1.2
113.09650	1.4
115.07571	2.4
117.07002	1.3
119.08571	33.2
119.09415	2.1
121.02909	1.0
121.10139	9.3
123.08083	9.4
123.11736	1.3
127.07541	1.7
131.08577	3.0
133.10129	18.7
135.11673	14.7
137.09619	4.9
137.13240	18.7
141.09114	1.6
150.96898	4.2
159.08125	1.4
159.11641	2.4
161.13248	41.0
171.11650	1.2
178.15723	1.4
179.14259	9.3
187.11137	1.4
196.09750	2.0
196.16956	12.9
209.98170	1.0
211.59531	1.0
214.10733	11.7
214.12720	2.6
214.18027	60.9
215.10628	3.6
215.14293	2.2
215.18132	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	214.0923
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00302	0.4
55.01864	0.9
55.05503	1.4
56.05032	1.7
56.94307	0.6
56.96560	37.3
57.03441	1.3
58.06587	1.1
60.05643	1.7
61.02903	1.2
67.05499	1.4
68.05022	1.9
69.03427	2.5
69.07066	7.0
70.06585	85.7
70.95869	1.1
71.04988	0.8
71.06915	6.6
71.95262	2.6
72.04540	0.5
72.08148	7.1
72.93780	3.6
72.96041	2.2
73.02904	1.7
73.06557	0.6
74.97610	1.0
77.00887	0.9
79.05502	1.0
80.91860	0.4
81.03396	1.0
82.06586	1.6
82.99832	1.2
83.04980	0.7
83.06100	1.1
84.04488	2.4
84.08135	9.2
84.96024	2.5
85.02888	3.4
85.04002	0.6
86.06037	0.5
86.09698	100.0
87.04452	0.7
87.10041	0.9
90.94839	2.5
91.05464	1.0
93.07007	0.6
94.06564	0.6
95.04970	1.0
95.06076	0.7
96.08114	0.8
97.02874	3.4
97.06519	10.8
97.07578	0.5
98.02421	0.5
98.06022	0.9
98.09702	1.1
98.97573	51.1
99.04456	1.0
99.97914	0.7
100.02477	1.5
100.07628	0.6
100.99122	0.5
101.00861	10.4
102.04037	0.7
102.92600	0.6
105.00369	0.5
105.07006	0.7
107.04951	0.8
108.95861	0.8
109.02846	0.8
109.07629	2.9
110.01293	0.6
110.06038	0.7
110.07154	2.3
110.97556	1.0
111.09174	0.6
112.02435	0.5
112.07598	1.4
112.08678	0.6
112.11236	0.7
113.96375	2.3
114.05541	0.7
114.09177	0.5
115.02377	0.6
115.08682	1.5
116.07072	2.3
116.98610	55.7
117.07472	1.0
118.03503	7.9
119.01908	88.9
120.02004	2.0
121.01668	0.6
122.02236	0.5
122.06050	0.8
123.04391	0.9
124.00703	1.6
124.02524	0.5
124.07581	0.8
127.03909	0.6
127.08669	1.3
128.98586	2.1
129.10248	1.8
130.03513	3.8
130.05000	0.7
131.01895	5.5
131.97427	2.4
131.99699	0.8
132.95816	4.1
133.03482	1.6
134.01285	0.8
134.99644	48.8
136.00749	0.8
136.04547	4.0
136.06169	4.9
136.07550	0.9
137.02942	45.4
138.03085	1.2
138.05440	0.5
138.06522	0.6
140.00169	1.9
140.07030	0.6
141.00041	1.0
141.10234	1.0
142.01813	2.3
142.03510	4.6
143.08308	0.6
144.05049	5.1
144.08662	1.2
145.01669	0.7
145.03465	0.7
146.99632	2.8
148.04590	0.8
149.01167	0.8
149.02936	3.5
149.96080	0.8
149.98436	0.5
150.00746	0.6
150.12766	0.5
150.96881	10.7
153.00691	9.9
154.01753	5.2
154.03485	2.2
154.07164	0.5
154.08589	1.0
154.94131	0.8
155.05544	1.2
155.08134	1.8
158.01260	3.4
158.99649	1.1
159.06148	0.5
160.02829	0.6
160.04553	1.8
161.01291	0.7
161.02919	1.7
162.06114	0.9
162.09706	3.2
162.99196	1.2
163.02823	1.0
163.04576	0.5
164.02267	0.8
165.00655	1.0
166.08649	0.7
167.97171	1.1
168.03282	1.0
168.06509	0.7
168.08693	3.1
168.10037	0.9
168.13809	0.9
168.97923	0.9
169.13441	0.5
172.01402	0.7
172.02803	9.2
172.04541	4.7
172.95230	1.6
173.01279	0.6
173.02864	2.1
173.06628	4.0
173.98465	0.8
175.11845	0.6
176.02332	0.7
177.00737	1.5
178.07300	0.7
178.08658	1.0
179.03709	0.6
182.03394	1.5
186.04401	8.7
186.06160	1.5
186.09740	65.5
187.08076	0.5
187.09880	1.6
188.02315	1.9
188.05795	0.7
189.00703	1.0
190.03885	11.8
190.05589	1.8
190.96332	0.6
190.98619	2.0
191.02324	0.6
191.03975	4.3
191.07588	2.3
191.97096	2.3
196.02815	1.1
196.06311	0.6
196.08162	2.3
196.09738	1.0
197.06581	5.0
197.10347	3.0
197.12817	0.9
197.16522	0.8
201.00735	0.6
204.05513	2.9
204.10802	33.2
205.10970	1.3
206.03371	1.8
208.04880	11.2
208.99623	1.5
209.06056	0.8
209.11339	4.1
209.98239	1.7
211.52251	2.0
213.05498	0.8
214.03857	32.9
214.05609	1.5
214.09152	26.0
214.12688	2.4
214.14453	1.0
214.19164	1.1
214.96170	0.7
215.04132	0.7
215.07678	5.1
215.09515	0.7
219.01712	0.7
223.03023	0.6
227.12381	0.8
232.04932	29.6
232.10274	67.1
233.05258	0.9
233.08467	2.7
233.10521	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1482
Annotation	(-)Helicascolide B
Peak:m/z	Relative Intensity
53.03945	2.0
55.01868	21.1
55.05507	74.6
56.96539	1.9
57.03425	3.5
57.07042	2.0
59.04974	2.0
67.05501	25.5
69.03417	9.5
69.07063	16.5
70.06573	5.3
71.04987	70.4
71.05376	4.2
71.74960	2.2
79.05486	19.0
81.03395	8.1
81.06615	1.8
81.07053	26.3
83.04958	7.5
83.08614	48.7
85.06522	7.7
87.04462	9.8
88.07603	5.5
91.05476	8.7
93.07035	22.1
95.04939	5.9
95.08592	11.6
97.06521	90.9
97.10159	64.3
101.78987	2.0
103.05447	2.7
105.07017	4.1
107.04913	2.2
107.08584	20.6
109.02850	2.8
109.06476	2.4
109.10145	16.8
110.07130	4.3
111.08052	5.0
111.26290	1.6
117.07021	4.7
119.08545	2.4
121.06500	2.8
121.10116	4.6
125.02287	1.8
125.05922	2.2
125.09619	37.3
128.06192	3.8
129.06995	5.3
131.08534	5.5
133.10114	4.8
135.08058	3.9
135.11665	6.8
141.06931	2.6
142.07732	4.3
143.08580	5.0
143.10674	2.5
148.26411	1.6
149.09689	1.7
149.13219	4.9
152.06213	3.6
155.08609	2.2
156.09358	2.0
157.06473	3.1
157.10109	6.2
159.11624	4.8
165.06920	2.3
166.07733	1.9
167.08527	17.2
169.06406	1.9
170.07230	2.1
171.07968	2.4
177.12724	8.0
181.06487	1.9
183.07938	1.7
185.09624	6.6
185.13243	4.2
189.11159	8.4
195.08331	1.8
195.10075	2.2
195.11830	4.8
195.13777	40.2
195.15588	2.6
196.09729	2.9
198.06735	5.6
213.05493	2.4
213.07361	2.1
213.09204	13.6
213.12827	5.8
213.14822	100.0
214.10788	2.3
214.15123	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	214.0384
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15223	0.5
54.98622	0.8
55.01866	0.6
55.05505	1.3
56.05030	1.4
56.94302	0.7
56.96558	31.2
57.03424	1.5
57.97327	0.7
58.06591	0.6
60.04509	0.7
60.05642	1.2
61.02929	1.1
65.03891	0.5
67.05498	0.7
68.05014	1.7
69.03422	2.1
69.07059	3.0
70.06584	100.0
70.94415	1.6
70.95856	1.4
71.04974	1.0
71.06914	9.7
71.07265	1.1
71.94087	0.8
71.95255	2.0
72.08148	6.1
72.93787	6.1
72.96033	2.4
73.02902	2.4
74.97612	0.8
79.05491	1.1
81.03411	1.1
82.06563	1.1
83.06090	1.2
84.04491	1.9
84.08138	5.4
84.96014	2.2
85.02909	1.6
86.09697	31.9
90.94808	3.1
91.05473	1.5
95.04981	1.4
97.02889	1.9
97.06549	3.3
98.06045	1.3
98.09644	0.9
98.97571	60.1
100.02473	0.9
101.00848	4.0
102.92606	1.3
109.02927	0.6
109.07635	7.1
110.01297	0.6
110.06000	0.7
110.07151	1.9
110.97539	0.9
111.07452	0.7
112.07573	1.1
112.11220	0.8
113.96383	4.1
114.05494	0.9
116.07101	2.8
116.98608	57.3
117.07425	1.0
118.03535	2.5
119.01907	32.2
124.00713	1.7
127.03880	0.7
127.08615	0.8
128.98625	1.3
129.10233	1.2
130.03529	1.2
131.01904	2.4
131.96193	0.8
131.97426	4.9
132.95804	5.0
133.01617	0.7
133.03430	1.0
133.10110	1.4
134.99643	43.8
136.04532	1.5
136.06171	7.0
137.02951	13.8
140.00174	2.1
140.10558	0.6
142.01740	2.2
142.03473	2.0
143.11780	2.2
144.05072	1.1
146.99667	2.1
149.02838	1.2
149.96060	0.9
149.97212	2.0
150.96873	10.2
153.00682	7.9
154.01765	5.0
155.05577	0.7
155.08160	1.6
155.97440	0.6
158.01247	3.6
161.02884	1.1
162.09773	1.1
162.96858	1.1
162.99100	1.2
163.02704	1.3
165.00674	1.1
167.97162	1.7
168.03351	1.2
168.08742	1.1
168.10097	1.0
168.13844	1.1
172.02797	9.6
172.04495	2.8
172.95274	1.7
172.98886	0.8
173.02788	0.9
173.06660	0.9
173.98398	1.1
176.94759	1.0
181.95258	1.0
186.04370	9.4
186.05986	0.7
186.09734	20.0
188.02266	2.0
188.05899	0.8
190.03864	12.9
190.05614	1.8
190.96341	1.3
190.98535	1.3
191.03970	2.0
191.07619	2.1
191.97148	3.5
196.02766	1.6
196.06140	0.7
197.06635	1.4
197.10237	3.3
202.54765	0.7
204.05490	3.5
204.10802	11.4
206.03362	1.9
208.04916	10.4
208.99596	1.3
209.11339	1.2
209.98199	1.2
211.52289	3.4
213.05467	0.8
214.03850	41.2
214.05530	1.4
214.07281	1.2
214.09143	9.2
214.12767	7.6
214.14439	2.6
214.19106	2.3
214.96437	1.0
214.98373	0.6
215.07616	1.6
216.23480	0.6
232.04918	34.7
232.10281	24.3
233.08739	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1483
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03917	5.7
55.01870	6.0
55.05505	30.7
56.05032	8.1
57.03419	15.2
57.07059	9.7
65.03915	4.1
67.05499	92.8
68.05817	4.3
69.07062	29.1
70.06573	5.2
71.04974	15.7
71.08634	4.3
79.05486	48.1
81.07043	100.0
82.15034	4.5
83.04960	12.1
83.08601	24.3
85.02880	9.9
85.06564	5.4
88.07626	13.2
91.05466	33.0
93.07032	69.6
95.04939	11.0
95.08584	28.7
97.06495	14.4
97.10156	6.9
102.20143	3.8
105.07008	23.3
107.04893	5.4
107.08578	37.5
109.10111	4.8
111.04421	6.4
111.08042	8.5
117.07025	26.4
119.08572	11.4
119.84167	4.5
121.06512	7.2
121.10076	19.6
123.11713	4.9
125.09634	5.7
128.06215	12.8
129.06972	18.7
131.08549	21.3
133.10120	10.0
135.11688	13.9
137.89301	3.8
141.06949	7.9
142.07759	14.0
143.08577	27.2
145.06337	4.4
145.10118	16.4
145.42151	3.7
149.13242	47.7
152.05959	4.0
153.07091	4.5
155.08559	10.0
156.09286	11.4
157.10094	31.6
159.11633	29.6
162.63374	4.4
165.07022	16.8
167.07037	6.9
169.10080	7.7
170.10870	7.6
171.07970	13.7
171.11639	37.4
177.12753	7.4
180.09311	24.5
185.09605	6.3
185.13211	19.6
195.10033	8.8
195.11641	44.2
195.13466	7.5
198.10350	10.5
213.09334	7.7
213.12801	59.2
213.16341	40.2
214.10696	9.6
215.54703	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	213.1483
Annotation	6-Hydroxy-7(9)-dehydro-6,7-dihydrogeranyl acetate
Peak:m/z	Relative Intensity
50.15782	0.7
51.07633	0.6
51.37589	0.6
52.44008	0.7
53.03919	0.9
54.22992	0.6
55.01864	1.1
55.05506	5.0
56.96558	1.6
57.03437	0.8
57.07076	1.1
67.05500	17.3
69.07056	6.4
69.64532	5.9
70.06585	1.7
71.04985	54.9
72.12062	0.7
79.05486	7.6
81.07045	13.1
83.04974	1.6
83.08607	3.2
85.02896	100.0
85.06547	4.9
86.03236	1.3
88.07629	1.3
91.05460	9.3
93.07031	12.4
95.04961	5.0
95.08602	5.6
97.06516	9.7
97.10159	2.1
98.90422	0.7
99.04475	1.6
105.07005	2.6
107.04974	1.3
107.08578	10.0
109.06557	0.7
109.10143	5.0
111.08058	1.2
111.11710	1.2
117.07001	3.0
119.08573	10.4
121.10122	2.1
125.09589	1.2
128.06195	1.4
129.07045	3.3
131.08582	2.2
133.10139	2.6
135.08064	1.1
135.11674	11.4
137.09573	3.7
142.07755	0.9
143.08559	3.0
149.13242	8.7
153.12715	6.7
156.09338	1.5
157.10146	3.0
159.11655	3.4
165.06993	2.3
167.07137	0.8
167.08673	0.7
167.14262	1.5
171.07973	1.2
171.11685	2.4
173.66110	0.8
177.12767	3.1
180.09343	1.4
185.13313	1.9
195.11784	2.2
195.13828	11.1
213.09308	1.1
213.12910	4.6
213.16396	2.5
214.10725	1.9
227.04179	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1483
Annotation	7-Oxo-11-dodecenoic acid
Peak:m/z	Relative Intensity
50.38951	11.5
55.05492	51.8
56.96564	17.3
57.07058	15.3
67.05506	78.1
69.03404	12.5
69.07048	49.0
70.06582	17.0
71.04979	51.0
71.28123	12.8
71.28447	19.9
72.55228	12.1
76.14761	12.1
79.05482	56.6
81.03421	10.7
81.07053	100.0
83.04971	20.1
83.08589	38.5
88.07607	39.6
91.05487	56.9
93.07039	77.5
95.04974	28.7
95.08588	25.0
97.06499	21.0
105.07014	32.5
107.04970	18.8
107.08588	42.8
109.06496	14.0
111.08126	17.3
117.06999	31.1
121.10129	40.1
126.05560	12.9
128.06204	34.8
129.07001	34.2
131.04053	11.7
131.08582	38.0
135.11693	19.4
140.07095	12.1
141.07008	22.6
142.07767	39.0
143.08560	87.8
145.10092	52.0
149.13293	13.8
155.08606	17.3
156.09360	29.4
157.10095	85.3
165.06958	40.6
169.10115	18.6
170.10896	16.2
171.07970	33.5
171.11702	43.7
180.09297	33.0
185.09549	15.6
185.13304	30.1
195.11679	51.7
200.76051	12.0
211.22224	14.2
213.05482	18.4
213.09198	30.2
213.12988	77.0
213.14603	24.4
213.16396	94.3
214.10692	36.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1233
Annotation	Pro-Pro
Peak:m/z	Relative Intensity
53.33748	0.2
55.01860	0.6
55.05498	0.6
56.05035	0.6
56.96558	15.2
57.03431	2.0
59.04982	0.3
61.02923	2.6
68.05025	0.6
69.03426	1.9
69.07060	0.8
69.10505	0.3
70.00781	1.1
70.06583	100.0
70.98117	0.4
71.04984	0.4
71.06911	1.1
71.95264	1.2
72.04505	0.2
72.08148	1.2
72.93780	0.7
72.96033	1.0
73.02902	2.8
74.97591	0.3
75.04472	0.3
79.05506	0.4
81.03419	0.7
82.03743	0.2
82.06573	0.3
83.06100	0.4
84.04487	0.7
84.08132	2.1
84.96028	1.3
85.02891	3.5
85.08476	0.2
86.06027	0.3
86.09702	2.8
87.04471	0.5
88.99139	0.4
91.05463	0.4
92.01306	0.6
95.00720	0.4
96.08129	0.4
97.02889	2.3
97.06512	0.5
98.01254	0.3
98.06042	0.8
98.20764	0.3
98.77264	0.2
98.97571	18.9
99.04435	0.8
99.97883	0.2
100.02538	0.3
101.00854	1.4
104.01273	0.5
105.01994	0.3
107.04932	0.3
109.02859	0.5
110.01238	0.5
110.07156	1.0
110.97566	0.7
112.11198	0.5
112.99131	0.3
113.01750	0.4
115.02421	0.6
115.03908	0.2
116.07077	14.8
116.98608	15.0
117.02042	0.3
118.00967	0.2
118.03560	0.6
119.01891	8.6
120.02000	0.3
121.01636	0.6
122.02293	0.5
124.00718	0.3
125.01679	0.3
126.02498	0.3
126.03714	1.0
127.03902	1.1
128.02299	1.0
128.98608	1.5
129.13885	0.4
130.03563	0.3
131.00180	0.9
131.01801	1.2
131.97366	0.4
132.01917	0.3
132.03500	0.3
133.01653	0.9
133.03421	1.0
134.03581	0.3
134.05959	0.3
134.99641	9.3
135.03038	0.6
136.04572	0.4
137.02908	3.2
140.00156	0.5
140.02271	0.3
140.55031	0.4
142.01855	0.3
142.96494	1.1
143.00146	0.4
143.01862	0.8
144.05020	0.3
145.01572	0.4
145.03441	0.8
146.02315	0.3
146.03690	0.4
146.99632	1.5
147.01355	0.4
147.03113	0.7
148.01907	0.3
148.03842	1.1
148.97346	0.4
149.01181	0.9
149.02831	0.4
150.03610	0.3
152.07071	0.4
153.00621	1.4
153.04033	0.3
153.05524	0.4
153.07448	0.3
154.01749	1.1
155.01831	0.4
157.03445	0.4
158.01184	0.7
158.99620	0.5
159.05017	0.3
160.97589	1.4
161.01178	0.4
161.02905	1.0
161.04314	0.2
162.01801	0.4
162.99115	0.3
163.02744	0.6
163.04280	0.3
165.00702	1.0
169.02480	0.3
170.99651	0.3
171.01309	0.5
171.05028	0.2
172.02866	1.5
173.02901	0.8
173.04765	0.3
173.06541	0.3
175.02721	0.6
175.04427	0.4
177.00626	0.9
177.04160	0.3
178.04895	0.5
179.02144	0.2
182.03265	0.3
185.02904	0.9
186.04350	1.3
186.09727	1.5
186.98996	0.3
187.02734	0.3
188.97052	0.7
189.00589	0.9
189.02132	0.4
189.03705	0.3
190.03880	2.7
190.05507	0.4
190.98532	0.3
191.02231	0.3
191.03990	0.3
193.00172	0.3
195.08508	0.7
195.11505	0.3
196.09669	0.3
201.00690	0.5
203.03964	0.4
204.05472	0.4
204.10805	0.5
206.03281	0.4
206.98096	0.7
207.01700	0.6
208.04935	1.8
213.05385	0.6
213.12311	16.5
214.03844	5.0
214.05757	0.4
214.09140	0.6
214.12636	0.5
215.03992	0.3
219.01605	0.5
223.04884	0.3
224.01465	0.3
232.04890	4.9
232.10263	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.112
Annotation	Melazolide A
Peak:m/z	Relative Intensity
53.03931	1.7
53.09174	0.5
55.01851	1.3
55.05510	9.6
57.03412	0.4
58.71778	0.4
61.05670	0.4
65.03931	0.6
67.01863	2.3
67.05480	1.7
68.99772	1.4
69.03427	8.9
69.07061	10.1
69.71034	2.8
70.06571	1.6
70.64524	0.4
71.04993	0.9
72.08144	0.8
79.05487	3.7
81.03410	1.1
81.07048	1.1
83.04982	2.4
85.02863	0.6
86.09701	0.5
91.05489	3.7
93.06513	0.5
93.07043	5.4
95.01307	0.8
95.04941	1.6
95.08593	1.8
97.02887	1.0
97.06500	3.3
99.04446	1.3
103.05425	0.5
105.07031	1.1
107.04948	0.7
107.08581	4.7
109.02886	0.7
109.06509	1.2
111.04443	4.8
111.08053	0.7
112.05220	0.7
113.06008	2.3
115.05460	1.0
116.25858	0.4
116.42611	0.5
117.07010	2.1
119.03374	0.6
119.08530	1.0
121.02914	0.6
121.06515	2.6
123.08044	0.7
125.02346	45.6
125.05955	2.6
125.09605	1.6
126.02673	0.9
127.03869	1.7
135.08023	2.7
139.03908	1.1
140.04672	15.1
141.05461	14.0
143.08749	0.9
149.09630	2.9
151.07611	0.5
151.11214	0.5
153.05473	8.8
153.09102	8.8
157.10129	1.0
163.07536	1.2
165.06989	0.6
167.06992	0.7
167.10678	1.8
171.07988	0.6
177.09074	1.3
195.10153	100.0
196.10509	1.2
213.09273	0.4
213.11003	0.9
213.12827	1.9
213.16389	0.7
220.79808	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1119
Annotation	Melazolide A
Peak:m/z	Relative Intensity
53.03936	3.2
55.01868	4.7
55.05507	14.6
57.03421	1.7
59.04994	1.5
65.03943	1.3
67.01854	2.4
67.05495	5.2
68.99776	1.9
69.03420	10.4
69.07061	13.9
69.41584	7.7
70.06583	15.3
71.04984	4.9
72.08150	9.9
79.05486	8.0
81.03411	7.6
81.07056	6.4
83.01344	0.9
83.04980	2.6
83.08614	3.4
84.08146	1.4
85.02879	2.1
85.06542	1.5
86.09695	12.0
87.00829	0.9
88.07621	2.1
91.05467	9.7
93.07034	9.9
95.01323	1.3
95.04971	3.5
95.08585	4.7
97.02888	3.4
97.06522	7.0
97.10183	1.3
98.06047	0.9
99.04448	3.2
99.08091	1.0
103.05513	1.1
105.07035	3.8
107.04958	3.3
107.08579	9.9
109.02872	5.3
109.06519	1.4
109.10137	1.8
110.07140	0.9
111.04444	5.9
111.08075	2.4
112.05247	1.2
112.11260	1.4
113.06000	4.0
115.05437	1.6
116.07082	1.9
116.98618	1.1
117.07006	4.5
119.04948	3.1
119.08566	2.4
121.06498	3.6
121.10138	3.2
123.04380	0.9
123.08070	2.0
125.02346	42.2
125.05959	3.9
125.09632	3.4
127.03910	11.2
128.06215	3.2
129.07010	2.9
129.13884	0.9
131.08556	2.1
135.08032	4.9
135.11694	2.2
137.05943	0.9
139.03946	1.5
139.07521	1.3
140.04678	16.8
141.05453	14.2
141.07004	1.4
142.07770	2.6
143.08580	6.0
149.09619	4.1
149.13258	1.5
151.03931	1.3
151.11163	1.0
153.01839	1.0
153.05446	9.7
153.06795	1.1
153.07074	1.0
153.09096	8.5
155.08580	2.2
156.09334	2.0
157.06502	1.3
157.10110	7.4
159.11682	1.7
163.07579	1.3
165.06982	2.2
167.03418	0.7
167.07051	3.9
167.08572	2.2
167.10713	2.6
169.10158	1.6
170.10828	1.2
171.08057	2.7
171.11688	3.9
177.09126	1.7
177.12663	1.2
180.09250	1.2
185.07124	1.2
185.09619	1.4
185.13229	2.7
185.16455	1.0
195.10150	100.0
196.10556	1.3
198.10432	1.1
213.03740	1.0
213.05530	1.5
213.09082	3.0
213.12932	7.9
213.16362	6.4
214.10773	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.039
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17445	0.9
53.03939	13.9
54.18930	0.9
55.01873	6.2
55.05491	2.7
55.83906	0.9
57.03422	2.5
60.37493	0.9
61.02916	1.0
65.03926	1.6
67.01836	1.2
67.05498	5.0
68.99791	8.6
69.03421	14.5
69.19473	0.9
70.06574	3.8
71.04982	9.8
71.08613	1.1
71.74818	2.0
72.08133	5.3
73.89146	0.8
79.05469	4.3
81.03414	52.0
81.07024	1.1
82.04166	3.2
83.01313	3.3
83.04948	2.3
85.02452	1.5
85.02900	15.9
86.09692	7.0
87.00820	11.7
88.07605	1.9
91.05424	2.0
93.07029	1.8
95.04954	14.1
97.02878	12.8
99.04447	11.9
105.01836	1.1
105.07043	1.2
107.04935	2.6
107.08581	2.0
109.02864	47.2
110.02934	1.5
110.03654	25.0
110.07145	1.8
123.04415	11.1
125.02332	8.5
125.05930	1.6
126.03082	1.8
127.03903	100.0
129.06984	1.1
141.05435	1.6
145.05011	1.4
151.03886	11.5
153.01823	6.1
157.10136	1.4
167.07077	1.4
169.04944	1.4
171.08131	1.2
171.11624	1.3
185.09599	1.1
185.13170	1.0
195.10144	3.5
195.11699	2.1
213.03900	34.3
213.05836	1.8
213.07272	2.1
213.09207	2.3
213.12576	3.4
213.16273	1.2
214.46983	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.0746
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76777	4.7
56.96543	14.8
64.25876	4.5
65.42466	4.5
70.06580	40.9
71.73629	7.0
73.02902	8.3
94.92999	8.6
98.21067	5.3
98.97561	18.8
108.24860	4.7
116.98586	18.1
119.01881	7.1
120.68385	4.2
134.99637	16.1
142.32993	4.7
165.06685	8.9
170.99028	11.4
172.02823	7.3
189.00066	16.9
190.03897	12.0
190.42529	4.6
195.06450	11.6
196.04831	82.4
208.04948	5.7
212.85202	100.0
213.07402	51.9
214.00513	5.9
214.03824	11.6
231.01118	5.2
232.04828	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	213.0747
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96564	22.9
57.03436	1.5
58.70766	1.2
61.02923	3.6
69.03406	2.5
69.51009	11.9
70.06588	100.0
71.95257	2.1
72.08154	1.7
73.02907	3.1
74.03259	1.2
84.08160	2.4
85.02909	3.6
85.07627	1.6
85.99953	1.2
86.09707	1.8
94.40200	1.2
97.02860	2.9
98.05997	1.4
98.97580	38.2
101.57498	1.2
102.00467	1.2
110.07137	2.1
112.11241	1.2
116.07081	11.0
116.98618	30.7
119.01881	5.2
124.00735	1.5
127.03893	2.0
128.02318	2.6
134.99657	22.4
137.02876	3.4
146.99669	2.1
153.00652	3.5
154.01776	3.4
156.49098	1.2
158.01160	1.2
165.06613	2.0
172.02832	5.7
180.09349	1.2
186.04393	2.5
189.00610	1.5
190.03902	8.7
190.05432	1.7
196.03148	1.1
196.04681	6.2
208.04927	7.9
212.85184	6.6
213.07536	3.7
213.12335	10.0
214.03844	11.8
219.28880	1.3
219.32564	1.3
232.04974	10.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.0389
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	11.2
55.01866	10.5
55.05233	1.3
55.05503	24.7
56.71585	0.7
57.03417	3.7
57.07069	4.0
65.03915	1.2
66.24876	0.8
67.01856	1.3
67.05494	4.9
68.99782	10.6
69.03421	16.6
69.07067	2.5
69.64610	7.0
69.64999	1.7
70.06589	4.1
71.04987	7.9
72.08136	2.1
72.62772	1.0
73.02913	0.8
74.10921	0.8
79.05482	3.7
81.03410	41.4
81.07027	2.6
82.04189	2.1
82.06568	2.4
83.01322	3.2
83.04978	5.9
83.08610	11.4
84.04501	1.0
85.02895	15.2
85.06534	3.6
86.09676	2.6
87.00814	11.1
88.07613	1.9
91.05494	1.5
91.58100	7.7
93.07041	2.3
95.04960	9.9
95.08602	0.9
97.02883	17.5
97.06494	2.1
98.09685	2.4
99.04449	11.0
100.07602	3.3
100.09441	1.4
100.11243	52.4
101.11575	2.6
103.05382	0.8
107.04954	3.2
107.08572	1.0
108.08073	2.5
108.21201	0.9
109.02865	37.0
110.03644	15.1
110.07178	1.6
111.04433	2.6
111.08038	0.9
112.07587	2.3
113.06009	0.9
117.13878	2.8
118.90223	0.8
121.10135	1.4
123.04414	6.9
125.02319	5.8
126.03133	1.1
126.09135	3.6
127.03902	100.0
128.04224	1.1
128.07092	2.1
129.06931	1.2
137.02336	1.4
140.10658	2.7
141.05467	1.3
141.06937	0.9
141.11467	37.1
141.61635	3.3
142.07756	1.5
143.08563	1.3
143.11812	2.5
145.04962	3.1
151.03911	6.8
153.01822	5.9
154.12263	12.6
155.11252	6.1
157.10086	1.5
165.06956	1.0
167.07048	3.2
167.08435	1.4
172.15697	0.9
182.15387	26.3
183.15695	2.7
195.02840	2.1
195.06461	1.1
195.10091	1.2
195.11746	1.2
199.18044	22.6
199.19862	1.1
200.18401	1.7
204.66469	1.7
209.16487	2.6
210.14865	3.8
211.97131	0.9
213.03915	24.8
213.05573	0.9
213.07382	1.0
213.09328	1.6
213.12617	2.5
213.15990	1.4
213.17813	16.2
213.67958	2.9
225.15944	5.2
232.34602	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1691
Annotation	3E,5E-tridecadienoic acid
Peak:m/z	Relative Intensity
52.51263	2.8
53.03938	5.8
55.01860	3.5
55.05502	24.6
57.03435	14.0
57.07061	7.4
59.04993	15.9
64.79455	2.2
67.05240	2.0
67.05503	20.3
68.14748	2.4
69.03416	5.8
69.07066	32.7
70.06589	3.6
70.16479	13.1
71.04987	78.7
71.05383	4.5
72.08137	15.5
75.67882	2.3
79.05480	17.4
81.03413	6.0
81.07046	56.1
83.04965	9.5
83.08614	16.6
83.09056	2.9
84.08150	2.4
85.06520	6.5
91.05473	12.4
93.07037	52.1
95.04958	7.0
95.08597	68.7
97.06524	32.5
97.10162	4.7
98.21367	3.8
99.04430	22.4
99.08082	10.5
105.07029	22.7
107.07986	1.4
107.08579	55.6
109.06494	7.3
109.10165	28.4
111.08065	10.0
115.07563	25.3
119.08575	44.1
121.10143	23.8
123.08064	10.9
123.11697	74.4
125.09621	7.5
127.07510	5.8
133.10110	48.0
134.10468	3.0
135.11679	100.0
136.12003	2.6
137.09621	14.4
137.13266	3.3
139.11159	4.0
141.09087	8.5
141.12758	9.9
147.08018	2.5
147.11667	8.4
147.50699	2.3
149.09575	4.4
149.13231	8.7
153.12737	25.3
155.10667	11.6
167.07021	10.2
167.10658	3.1
167.14275	2.3
175.14809	73.2
193.12267	4.9
193.15881	23.9
211.07465	4.7
211.13321	2.8
211.14996	4.8
211.16902	55.3
232.34302	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1688
Annotation	3E,5E-tridecadienoic acid
Peak:m/z	Relative Intensity
50.38317	0.9
53.03941	2.4
55.01859	1.8
55.05506	19.7
56.05836	3.0
56.96554	3.5
57.03415	2.5
57.07061	5.1
59.05001	2.2
65.03938	1.0
67.05499	33.9
69.03421	10.3
69.07063	19.5
70.06573	2.6
71.04984	5.5
71.08633	1.4
71.75856	1.7
78.04736	1.7
79.05491	7.3
80.05003	2.5
81.03403	4.2
81.07048	30.3
82.07377	1.2
83.04973	17.1
83.08615	12.3
84.04497	1.0
84.08131	4.5
84.08965	1.5
85.02893	1.5
85.06542	4.9
86.06051	1.7
86.09684	1.6
91.05456	9.3
93.07037	15.7
95.04956	6.1
95.08596	40.4
97.02888	2.3
97.06521	2.8
97.10155	3.8
98.06044	1.4
98.09655	1.0
99.04430	1.0
99.08075	3.2
100.07600	1.5
101.11584	2.1
105.07013	10.8
106.04194	0.9
106.06551	0.9
107.04938	1.1
107.08582	24.2
109.02897	1.2
109.06516	12.7
109.10146	100.0
110.09690	1.2
110.10476	1.0
111.04421	2.7
111.08076	5.2
111.11701	1.1
112.07510	1.2
113.05978	1.4
113.09643	2.2
117.07034	1.5
119.05015	1.6
119.08569	25.3
121.06520	1.7
121.10127	13.1
123.04475	5.7
123.08058	16.3
123.11686	10.2
124.05238	1.9
125.09590	2.3
127.03870	1.3
127.07594	1.0
127.11215	1.3
128.06241	1.0
128.07088	1.2
131.08617	1.2
133.06456	1.0
133.10115	21.7
135.11681	66.9
136.11937	1.0
137.05977	4.0
137.09605	17.8
139.11163	2.8
141.05350	1.3
142.07816	1.0
146.10890	0.9
147.08051	1.0
147.11673	3.2
148.07646	1.0
149.05957	2.0
149.13237	5.5
151.03894	1.6
151.07567	1.5
151.11166	11.1
151.14801	12.9
152.06110	1.1
153.06995	3.9
153.12689	2.8
153.83875	0.9
154.07777	1.1
155.08516	5.0
155.10678	1.2
157.10098	2.2
165.05524	1.2
165.06927	4.5
165.12636	1.1
165.16370	3.0
167.07030	43.2
167.08388	1.6
168.05632	2.0
168.07266	1.0
168.09387	3.5
169.10141	2.0
175.11243	1.5
175.14804	22.0
176.15099	1.0
179.07048	1.8
181.10068	1.9
182.03377	1.0
183.06532	2.4
183.08064	2.8
183.11719	5.2
183.15717	11.0
186.72955	0.9
193.04994	2.6
193.08553	1.6
193.10149	3.1
193.12125	1.3
193.15857	18.1
196.05171	3.2
196.08748	1.8
211.05925	2.3
211.07634	9.1
211.11249	6.2
211.13010	1.6
211.15031	3.6
211.16904	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	211.1691
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.3
55.01840	1.5
55.05506	5.8
56.96560	3.0
57.03427	3.3
57.07058	1.8
58.25524	1.0
67.05502	8.8
69.03416	1.6
69.07055	9.4
69.48335	0.9
70.06570	2.3
71.04977	5.5
79.05491	7.1
80.01382	0.9
80.05000	1.3
81.03418	5.5
81.07047	22.5
82.06537	0.9
83.04970	3.4
83.08608	3.8
84.04457	1.1
84.08130	4.2
85.02856	2.0
86.06056	1.2
88.59451	0.9
90.78426	1.1
91.05468	9.9
93.07040	14.5
95.04964	5.6
95.08594	27.4
97.02907	1.4
97.06532	4.5
98.06051	2.5
99.04485	2.0
99.08093	7.4
102.22694	1.1
103.05551	1.2
105.03419	1.3
105.07020	22.4
107.08572	19.5
109.02872	1.3
109.06512	3.3
109.10143	11.3
111.08128	1.8
113.09628	6.9
115.05431	1.5
117.06993	1.4
119.04974	1.3
119.08569	69.6
121.06469	2.2
121.10133	4.2
123.04426	3.8
123.08060	1.6
123.11707	8.0
129.06966	1.4
131.08580	3.2
133.10114	100.0
134.10448	1.5
135.11676	32.9
137.05972	4.1
137.09604	4.3
141.07043	1.3
143.08539	1.3
145.10071	1.5
147.08012	1.0
147.11639	5.8
151.03938	2.5
151.07538	1.8
153.06996	3.4
154.07822	1.4
155.08530	5.5
157.10115	2.2
165.05542	1.1
165.06956	1.6
165.09113	1.3
167.07030	22.3
167.08395	0.9
168.05731	1.8
168.07317	1.0
168.09325	4.9
169.10095	2.1
175.14806	71.7
176.15201	2.0
179.07037	2.9
181.06474	1.4
183.06551	1.2
183.08038	2.2
183.11670	6.0
193.04974	1.4
193.10146	2.2
193.12213	1.5
193.15852	5.5
194.08116	1.6
195.07968	1.3
196.05127	1.3
196.08792	1.9
205.98808	1.3
211.05847	1.5
211.07709	5.6
211.09605	1.1
211.11205	8.4
211.14825	1.9
211.16875	2.4
212.12958	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1326
Annotation	Libanotic acid
Peak:m/z	Relative Intensity
53.03935	3.6
55.01853	4.2
55.05506	43.3
57.03428	15.0
65.03925	1.7
65.40379	1.2
67.05142	1.9
67.05498	34.4
68.22164	1.4
69.03421	8.8
69.07066	11.5
70.15644	6.2
70.16059	3.1
71.04966	6.1
72.08157	2.0
79.05484	29.9
79.57986	1.5
81.03409	100.0
81.07043	45.3
83.04969	52.2
83.05479	1.9
83.08608	31.1
85.02902	1.6
85.06516	2.8
91.04926	2.4
91.05472	35.2
93.07033	21.7
95.04958	33.1
95.08585	17.1
97.02876	4.6
97.06506	6.5
97.10136	8.0
99.08075	2.6
105.07014	28.3
107.04965	7.3
107.08572	10.8
109.06498	8.0
109.10141	4.2
111.04433	2.5
111.08062	10.5
115.05360	2.3
119.04973	1.9
119.08570	22.9
121.10147	8.4
123.08038	4.6
123.11677	1.8
125.09599	3.6
129.06985	11.3
131.08536	14.2
133.06465	2.7
133.10109	14.7
137.09608	2.6
137.13225	2.8
142.07741	2.8
147.08073	3.1
147.11691	14.8
149.09628	8.1
153.06938	1.6
157.10094	14.3
165.12759	2.7
167.10666	1.7
175.11188	15.5
183.11676	2.7
186.74840	1.8
193.12215	36.7
211.11177	3.8
211.13249	15.2
211.14903	1.9
220.89896	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1327
Annotation	Libanotic acid
Peak:m/z	Relative Intensity
50.55499	1.6
53.03936	6.5
55.01866	7.3
55.05506	46.2
57.03430	60.4
57.07084	4.9
59.04994	2.9
60.59199	1.9
67.05499	50.9
69.03421	12.9
69.07063	23.3
70.99821	3.6
71.00150	2.6
71.04993	9.3
71.32851	1.6
72.08149	10.3
73.65459	1.7
79.05483	47.3
79.05930	3.0
81.03410	100.0
81.07048	55.8
81.42416	1.7
83.04973	51.4
83.08610	35.2
85.06539	4.4
91.05466	48.9
93.07036	44.4
93.07507	1.1
95.04955	47.8
95.08595	29.8
97.02867	5.0
97.06506	17.0
97.10162	7.9
98.06026	2.1
99.04450	1.9
99.08086	4.2
103.05424	2.1
105.07016	32.2
107.04951	6.1
107.08601	17.9
109.06522	14.9
109.10133	16.7
111.04428	5.1
111.08056	13.5
117.07035	3.1
119.08569	36.5
121.06484	7.1
121.10134	18.8
123.04427	4.0
123.08046	24.9
123.11680	3.1
125.09624	21.4
128.06267	2.4
129.06976	14.7
131.08549	15.7
133.06461	5.0
133.10123	13.8
135.04413	2.4
135.08047	1.8
137.05972	4.9
137.09619	7.8
137.13246	2.2
139.11151	20.8
141.07016	1.7
142.07803	4.2
145.10100	3.5
147.08060	4.3
147.11662	25.3
149.06001	2.1
149.09590	17.5
151.03719	1.9
151.07553	3.1
151.11227	4.2
153.06940	4.8
155.08594	4.1
157.10118	19.6
165.12764	6.3
167.07057	23.0
167.08405	3.7
167.10664	31.8
168.09354	5.3
169.10168	7.1
169.12285	2.9
175.11156	21.6
181.06454	2.6
181.08611	3.0
181.10149	5.4
183.11632	9.5
193.10294	4.1
193.12207	37.2
196.08804	2.0
196.12532	3.7
211.07576	3.2
211.09427	3.3
211.11191	10.5
211.13275	19.4
211.14861	8.3
216.31290	1.8
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	Libanotic acid
Peak:m/z	Relative Intensity
51.02357	1.7
53.03931	6.6
55.01861	6.6
55.05237	2.5
55.05508	46.8
55.89811	1.4
56.96563	9.7
57.03430	9.5
57.07077	2.6
61.47592	1.4
66.66042	1.3
67.05501	31.0
67.18675	1.3
67.60455	1.4
69.03432	11.6
69.07060	13.3
69.57458	1.3
70.06581	4.1
70.59290	4.7
71.04986	7.4
79.05485	33.5
81.03412	100.0
81.07051	42.2
82.06567	2.3
82.96680	1.4
83.04971	51.2
83.08112	1.5
83.08610	30.2
84.08128	3.0
84.96006	1.6
85.02902	4.3
85.06521	3.6
86.09677	1.6
91.05469	39.5
93.07044	23.9
95.04960	37.3
95.08598	18.8
97.02884	4.2
97.06502	7.2
97.10181	8.0
98.06051	1.5
98.97623	1.6
99.08092	1.8
102.12793	8.1
102.97058	1.3
105.03392	1.8
105.07019	25.4
107.04954	5.5
107.08575	11.7
109.06507	9.5
109.10159	6.5
110.06062	1.7
111.04443	3.3
111.08080	12.7
115.05431	1.8
116.00222	1.4
116.98662	1.3
117.06994	1.7
119.04929	2.3
119.08564	23.7
121.06509	3.0
121.10142	8.7
123.04397	2.9
123.08083	4.2
123.11711	2.8
124.07441	1.6
125.02393	1.8
125.09547	1.6
127.03921	1.4
127.07540	2.0
129.06993	12.9
131.08553	11.2
133.06497	5.0
133.10127	14.8
135.08009	1.6
137.06004	2.0
137.09624	4.9
141.06996	1.8
142.07779	5.6
145.10147	2.0
147.08018	3.9
147.11671	16.4
149.09601	6.8
151.11136	2.0
153.07059	3.7
155.08516	7.7
155.46173	1.4
157.10135	13.8
165.12715	4.0
167.07047	2.8
167.08527	1.9
168.09312	8.5
169.10089	2.7
175.11147	16.0
175.14851	2.0
179.07086	1.9
181.10158	3.5
183.06525	3.5
183.11693	9.1
193.04935	1.4
193.10152	7.5
193.12234	31.9
194.08087	1.6
196.08745	2.2
205.98727	2.3
211.05872	2.4
211.07617	5.1
211.09666	1.4
211.11174	13.2
211.13307	13.2
212.09088	2.9
229.07462	2.0
234.13991	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1328
Annotation	Jasmonic acid
Peak:m/z	Relative Intensity
50.50231	0.9
53.03939	3.9
55.01868	12.7
55.05504	19.5
56.96582	1.2
57.03433	44.1
57.07068	3.5
57.33094	1.1
59.05000	2.1
62.97234	0.9
65.03939	2.1
67.05499	51.2
69.03419	6.6
69.07064	23.5
70.06599	4.1
71.04985	11.9
71.73689	1.7
72.08156	17.7
75.04423	1.3
79.05488	39.6
81.03421	11.5
81.07050	100.0
83.01312	1.6
83.04975	13.8
83.08617	13.4
84.08144	3.2
85.02906	3.1
85.06548	7.0
91.05476	56.5
93.07037	40.3
95.04966	21.8
95.08598	30.6
96.29308	1.0
97.02874	1.9
97.06519	27.3
97.07504	1.2
97.10153	2.4
99.04429	1.4
99.08111	5.3
101.06054	1.4
103.05478	1.7
105.07021	57.3
107.04963	5.7
107.08582	23.3
109.02866	1.6
109.06509	18.3
109.10151	20.1
111.04427	2.3
111.08084	6.8
113.06019	4.2
113.09686	1.3
113.21252	1.2
115.05426	2.7
117.07012	3.2
119.08572	56.9
121.06502	3.4
121.10137	31.6
123.04448	3.9
123.07230	1.0
123.08066	22.1
123.11703	34.7
125.02395	1.8
125.05986	1.3
125.09625	18.0
127.07561	2.1
128.06212	2.0
129.06993	16.1
131.08554	9.4
133.06436	1.7
133.10127	17.9
135.08075	1.6
135.11696	7.1
137.05995	4.2
137.09616	9.8
137.13264	4.5
139.07516	1.2
139.11171	14.8
141.05418	1.2
141.06982	3.3
142.07761	7.3
145.10136	2.3
147.08041	3.5
147.11674	77.0
149.06059	2.1
149.09633	12.8
149.13327	1.4
151.07536	3.3
151.11209	3.5
151.14752	2.4
152.06255	1.3
153.06978	2.7
153.09039	1.3
154.07744	1.1
155.08557	6.1
157.10123	24.6
161.05927	1.6
165.06989	6.8
165.09123	1.9
165.12744	19.3
167.07056	22.2
167.08476	1.7
167.10675	18.4
168.09378	4.1
169.10153	6.3
169.12283	1.4
175.11172	23.0
175.14787	4.7
181.06549	1.1
181.08612	2.5
181.10141	2.2
183.08104	2.9
183.11711	6.0
193.10216	3.0
193.12263	12.9
193.15904	2.2
196.08797	1.1
211.07632	4.9
211.09605	1.3
211.11194	9.0
211.13272	6.8
211.14914	3.9
211.16765	1.2
219.14659	1.1
229.14261	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1327
Annotation	Libanotic acid
Peak:m/z	Relative Intensity
50.44448	1.1
53.03935	4.0
55.01871	7.7
55.05508	41.8
56.96553	2.4
57.03432	8.9
57.07061	1.9
65.03941	1.5
66.51107	1.0
67.05499	35.9
69.03423	9.4
69.07063	11.7
71.04977	5.5
79.05027	1.4
79.05488	35.8
81.03412	100.0
81.07050	42.9
81.07536	1.7
83.04973	48.3
83.08614	37.2
83.08999	0.7
85.02873	2.0
85.06528	3.1
91.05474	34.4
91.06043	1.9
93.07039	18.6
95.04962	33.2
95.08601	13.8
97.02894	2.5
97.06516	5.1
97.10158	8.1
98.21449	2.8
99.08101	1.8
105.07020	25.3
107.04945	9.3
107.08582	10.1
109.06519	9.2
109.10149	2.8
111.04410	3.2
111.08062	10.9
115.05440	3.2
117.07022	2.0
119.08578	17.6
121.06479	1.7
121.10137	8.9
123.08022	3.4
123.11687	1.7
125.06036	1.2
125.09600	1.9
129.06985	14.1
131.08557	15.4
133.06502	3.2
133.10117	14.3
137.09662	2.8
141.07034	1.3
142.07764	4.2
143.08551	1.3
145.10100	1.8
147.08044	4.2
147.11665	15.2
149.09570	6.6
153.06966	1.8
155.08577	3.5
157.10114	17.5
165.06847	1.1
165.12743	2.1
168.09323	3.2
169.10117	3.3
175.11157	18.8
181.10130	2.7
183.11674	4.1
193.10318	2.8
193.12210	39.4
196.08868	1.8
197.57329	1.1
208.01698	1.1
211.07526	1.5
211.11139	6.7
211.13272	14.0
211.14871	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1326
Annotation	Jasmonic acid
Peak:m/z	Relative Intensity
53.03939	7.8
55.01857	6.6
55.05506	48.2
55.51343	1.0
57.03432	12.9
57.07057	3.0
59.04997	3.4
65.03954	1.9
67.05499	35.4
69.03424	9.7
69.07051	14.5
70.70488	3.8
71.01348	1.2
71.04980	11.1
79.05483	35.3
81.03407	100.0
81.07043	46.5
82.71664	1.0
83.04972	50.8
83.08610	33.9
85.02876	1.5
85.06536	4.1
91.05469	39.4
93.07030	23.2
95.04957	31.5
95.08591	19.6
97.02881	2.9
97.06519	7.9
97.10164	9.3
99.04436	1.6
99.08071	3.8
105.07023	27.5
106.07356	1.3
107.04912	6.9
107.08588	12.4
109.06521	6.8
109.10172	5.9
111.04446	2.6
111.08049	12.0
111.08734	1.4
113.06013	1.5
115.05453	1.7
117.07005	2.5
119.08579	22.1
121.06474	3.8
121.10120	10.6
123.08045	5.0
123.11716	7.0
125.09582	2.8
128.06190	1.6
129.06993	14.0
129.14409	0.9
131.08562	11.6
133.06476	4.3
133.10109	13.9
135.11676	9.6
137.09633	2.1
139.11223	2.1
141.09097	1.4
142.07750	3.9
147.08046	4.0
147.11662	15.5
149.09587	6.5
153.12721	1.7
155.08574	1.2
155.10620	1.4
157.10118	15.1
165.12741	3.6
167.07011	1.5
167.10628	1.5
175.11182	17.3
175.14809	3.8
193.12230	30.4
211.11310	1.1
211.13260	14.1
211.16811	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1326
Annotation	Libanotic acid
Peak:m/z	Relative Intensity
52.63926	1.2
53.03935	4.5
55.01880	6.0
55.05505	42.7
56.96560	1.5
57.03436	10.0
57.07064	1.8
59.04990	1.8
65.03925	2.0
67.05497	30.7
69.03433	9.9
69.07063	11.0
69.41752	8.0
69.42184	4.8
71.04976	4.5
79.05488	33.8
81.03409	100.0
81.07046	38.2
83.04971	51.3
83.05483	1.9
83.08612	35.9
85.02890	1.3
85.06529	2.9
87.04482	1.6
91.05467	37.3
91.06035	1.8
91.45524	1.2
93.07030	18.7
95.04954	33.7
95.08589	14.9
97.02885	3.6
97.06513	5.6
97.10160	8.7
98.21410	2.1
99.08053	2.2
103.05453	1.3
105.07018	23.8
107.04939	7.5
107.08562	5.7
109.06525	5.6
109.10143	4.3
111.04470	3.3
111.08076	10.6
115.05460	2.5
117.07034	1.6
119.04924	1.7
119.08560	19.9
121.06484	2.2
121.10126	7.2
123.08066	4.3
123.11725	1.3
128.06166	1.8
129.06981	14.6
131.08566	12.5
133.06476	3.0
133.10117	13.3
137.09589	1.4
137.13268	1.1
141.06955	1.6
142.07745	3.7
145.10127	1.6
147.08049	3.8
147.11656	14.6
149.09602	7.4
153.07056	2.1
153.10240	1.1
155.08530	4.9
157.10136	16.9
163.11281	1.1
165.12671	2.8
167.08488	1.7
168.09355	4.6
169.10078	3.4
172.70679	1.2
175.11177	14.5
183.11705	4.6
193.10414	1.4
193.12225	32.5
193.13995	1.7
211.11099	5.5
211.13257	14.9
211.14613	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1326
Annotation	Libanotic acid
Peak:m/z	Relative Intensity
50.63630	2.1
53.03942	4.5
55.01861	13.8
55.05502	27.3
56.96545	5.7
57.03430	26.9
57.07057	3.5
59.05002	2.9
65.03938	3.0
65.75930	2.5
67.05497	56.2
69.03409	8.7
69.07054	20.9
70.06577	4.4
71.04974	12.5
71.32144	3.9
72.08154	12.6
73.74985	2.5
79.05486	44.5
81.03410	26.8
81.07049	100.0
83.04969	25.6
83.08613	18.5
84.08154	4.1
85.02893	4.5
85.06531	8.7
90.67797	2.0
91.05471	74.8
92.05809	2.9
93.07029	35.7
95.04952	31.9
95.08586	33.9
97.06527	25.0
97.10127	3.0
99.04427	4.6
99.08092	6.3
105.07017	62.7
106.07348	3.5
107.04939	9.1
107.08589	23.4
109.06493	21.3
109.10144	10.4
111.04436	3.9
111.08074	8.3
113.06004	4.1
115.05482	4.8
119.08570	54.7
120.41434	2.5
121.06512	4.6
121.10132	28.5
123.04380	4.3
123.08059	12.9
123.11697	27.3
125.05964	5.3
125.09648	11.5
125.16622	2.4
129.07011	15.9
131.08568	12.7
133.06464	3.6
133.09186	3.7
133.10120	42.6
135.11661	4.8
137.05946	9.5
137.09578	4.5
137.13251	2.6
139.11133	4.8
141.06941	2.9
142.07738	12.5
147.07983	3.8
147.11671	78.7
149.09637	11.5
151.07515	5.5
151.11157	7.0
153.06973	6.4
154.07729	3.0
155.08514	12.9
157.10110	27.1
165.12727	21.6
167.07011	8.8
167.08421	3.9
167.10634	7.5
168.09328	9.6
169.10101	6.3
175.11150	32.4
178.07764	2.6
179.07100	3.6
181.06416	2.8
181.10094	4.2
183.07962	2.9
183.11743	11.1
193.10164	7.2
193.12221	26.7
196.08781	4.8
196.12352	3.8
205.98888	2.4
211.05884	3.5
211.07594	7.0
211.09474	4.0
211.11362	25.6
211.13177	10.7
211.14825	13.0
217.59926	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	210.9404
Annotation	Unknow
Peak:m/z	Relative Intensity
57.18089	36.3
66.98702	41.4
71.65633	67.2
74.12623	39.1
87.71077	37.0
94.92967	47.0
210.94067	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0963
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.6
53.19196	0.5
55.01854	2.5
55.05495	2.2
56.96569	2.6
57.03419	2.2
57.07056	0.6
60.04510	1.7
61.02908	1.0
61.31864	0.5
65.03922	1.1
67.05491	3.6
68.05025	0.7
68.99771	0.6
69.03425	2.9
69.07047	2.1
69.49895	3.5
69.50307	1.8
70.06588	5.5
71.04971	1.9
72.08147	2.0
72.93781	0.8
73.02904	1.6
78.04687	4.3
79.05481	5.6
80.04996	0.6
81.03411	5.0
81.07043	2.4
82.06560	0.7
83.04971	2.0
83.06078	0.8
83.08617	0.8
84.08130	2.6
84.81459	0.6
85.02878	2.2
85.06544	0.8
86.05986	0.6
91.04928	1.0
91.05473	14.8
93.07027	12.4
94.04239	0.5
94.06591	0.7
95.04955	8.0
95.07387	0.6
95.08601	2.5
95.28352	0.6
97.02897	2.6
97.06516	1.2
98.06062	1.2
98.09686	0.8
98.20936	2.1
98.97583	1.5
99.04472	0.7
103.04836	0.9
103.05454	10.7
105.04496	0.8
105.07026	5.2
106.04167	1.8
107.04927	2.4
107.08566	1.5
109.02863	3.2
109.06496	2.0
109.10159	1.5
110.02462	0.7
110.03532	0.8
110.07136	0.8
111.04395	0.9
114.38894	0.6
115.05431	1.2
116.98592	0.8
118.04156	0.8
119.04913	2.1
119.08585	1.8
120.08114	0.8
121.06496	19.8
122.03607	0.9
123.04417	12.4
123.08054	1.2
124.05192	3.1
124.07577	0.7
125.02367	1.3
127.03910	1.3
128.07100	0.7
131.04942	0.7
133.02759	0.9
133.06471	3.3
133.10127	1.1
134.99649	1.0
135.08080	0.8
135.11674	0.9
137.05992	5.5
137.09589	0.7
137.10709	0.6
141.05452	0.9
145.96605	0.7
147.04419	1.1
147.08127	0.6
148.07574	1.2
149.02373	0.8
149.05968	30.9
150.06371	0.9
151.03888	5.7
151.07504	1.0
152.04681	2.8
152.07039	1.0
153.04051	2.4
153.05273	1.0
153.07010	1.7
154.02437	0.8
155.08572	3.1
157.10062	1.2
161.05954	4.2
163.97707	1.7
165.05495	2.7
165.06731	0.7
165.09053	0.8
165.10281	1.3
166.06250	6.4
166.12276	0.7
167.07022	100.0
168.04086	1.6
168.07315	1.6
168.09279	2.7
169.06406	0.7
169.09839	0.7
175.11212	0.7
179.03380	0.7
179.06995	1.2
180.07808	2.6
181.08583	26.4
181.09993	1.4
181.98743	1.1
182.08789	0.6
183.06523	1.1
183.08043	1.2
183.11693	3.6
193.05006	1.1
193.06906	0.6
193.08545	1.5
193.10130	1.9
193.12241	0.7
194.08086	0.7
196.08737	1.0
199.87018	0.6
205.98788	2.9
211.04558	2.6
211.07579	1.3
211.09584	2.9
211.11320	5.1
212.12923	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1261
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88523	0.5
53.03937	1.4
54.12143	0.5
55.01866	1.0
55.05505	8.7
56.96564	1.0
57.03427	1.6
65.03937	1.1
67.02969	1.1
67.04237	1.1
67.05503	5.1
68.05016	2.5
69.03436	1.1
69.05801	5.8
69.07067	1.9
70.06584	100.0
70.93382	1.6
71.04994	1.3
72.08145	0.7
73.01134	1.1
77.52613	0.5
79.05484	7.9
80.05007	1.5
81.03414	8.8
81.07049	28.4
82.06579	10.3
83.04955	4.5
83.08611	3.2
84.08131	0.5
85.06548	0.6
87.02686	2.3
88.02214	8.3
91.05471	10.8
93.05795	2.8
93.07027	2.4
94.06586	0.8
95.04965	3.7
95.08606	2.0
96.08134	2.2
97.01108	1.1
97.06511	0.8
97.10174	0.6
105.07030	3.5
107.04969	0.8
107.08582	1.8
108.08112	10.6
109.07630	81.7
109.10153	1.5
110.07967	0.7
111.08070	1.1
115.05795	1.3
119.08595	2.8
121.10125	1.0
123.08078	0.7
123.11699	0.7
125.04205	2.1
129.06990	2.0
131.08577	1.5
133.10136	1.9
141.04782	1.2
141.07008	1.0
142.06833	1.2
147.11681	2.3
153.06873	0.7
155.08554	1.5
157.10124	1.9
167.08475	0.8
168.09332	2.2
169.10165	1.8
175.11220	1.4
183.11665	2.5
184.11618	0.9
193.10443	0.9
193.12236	2.9
194.10056	0.7
207.44836	0.6
211.12651	56.7
211.14670	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1535
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03931	6.8
55.01855	8.1
55.05508	69.7
55.78569	2.0
57.03415	3.7
57.07066	4.3
57.51302	2.0
59.04984	4.8
61.34289	1.7
65.03922	6.5
67.05502	17.7
69.03427	12.8
69.07066	17.2
71.04976	12.2
71.29351	3.9
72.08132	5.5
73.02902	2.2
75.04463	2.5
78.04700	3.6
79.05485	19.7
81.02680	2.2
81.03378	2.7
81.07050	23.1
83.04975	100.0
83.08609	33.6
84.08115	3.3
85.02878	4.5
85.06506	3.3
86.07898	2.1
89.03877	3.0
91.05474	24.8
93.03393	11.6
93.06497	3.0
93.07035	30.4
95.04957	88.5
95.08591	26.2
97.02874	2.2
97.06533	15.9
97.10138	7.1
99.04445	16.6
99.08074	4.9
103.05474	7.4
105.07024	13.9
106.04166	21.7
106.06495	2.0
107.04968	4.1
107.08581	44.1
109.06527	16.7
109.10156	27.6
111.04423	4.8
111.08085	10.6
113.09624	2.0
117.06995	4.4
119.04914	2.9
119.08547	5.7
121.06499	31.6
121.10140	24.7
123.04475	2.8
123.08042	6.5
123.11679	15.2
125.05952	5.5
125.09614	18.1
131.04901	5.0
131.08537	5.0
133.10138	14.2
134.03624	5.4
135.08040	12.0
135.11705	9.7
137.05946	6.4
137.09610	3.8
139.07478	2.9
139.11186	3.7
145.02783	2.4
145.10101	5.9
147.11665	7.0
148.05144	4.4
149.05972	34.4
149.09601	7.0
149.13234	15.9
151.11171	84.5
153.05441	3.8
153.09085	21.2
158.10809	2.3
163.07542	5.2
163.11139	5.7
163.14774	5.4
165.12723	4.5
167.10709	2.6
167.14304	58.8
173.13243	12.2
177.05458	15.0
181.08569	6.9
191.07040	4.5
191.14275	26.5
209.04408	4.2
209.08090	10.6
209.09746	3.4
209.11510	2.4
209.15359	34.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	210.0581
Annotation	(2R,4R)-2-phenylthiazolidine-4-carboxylic acid
Peak:m/z	Relative Intensity
53.03920	0.7
55.45255	0.4
55.92497	0.4
56.96543	0.6
58.99579	26.7
62.87358	0.4
67.05473	0.8
70.02936	1.0
70.06583	1.6
71.04990	0.5
71.74627	0.8
72.08149	0.5
76.02223	3.3
79.05484	20.3
80.05809	1.0
81.03401	1.6
82.06572	0.6
84.04498	0.6
84.08128	1.4
86.00648	5.0
86.99043	14.3
88.03983	8.8
91.05473	4.9
93.07041	0.8
95.04965	1.2
95.08573	0.5
97.92416	0.5
103.05472	0.5
105.00076	6.7
105.06998	1.0
106.06541	100.0
107.04941	1.2
107.06881	0.7
108.08910	1.0
109.06515	1.1
117.05742	3.6
118.06525	9.0
119.04927	0.8
120.08123	0.9
120.08955	0.5
121.01080	9.9
121.06483	0.7
121.10049	0.5
122.06886	0.5
122.10443	0.5
123.02642	0.7
123.04409	0.5
125.05988	0.5
130.06503	6.6
131.07307	1.4
132.08873	1.5
135.02711	0.5
136.07541	0.7
147.02626	1.8
149.05913	0.5
150.09995	1.8
151.07541	0.5
163.97717	0.4
164.01605	0.7
164.05283	21.1
164.11662	0.8
165.05580	0.9
167.01244	0.6
167.06975	0.9
182.08002	0.5
192.11037	1.4
195.00645	1.9
210.03020	3.2
210.05820	28.7
210.07591	1.8
210.11403	1.9
210.15622	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1533
Annotation	3-Hydroxy-alpha-ionone
Peak:m/z	Relative Intensity
53.03937	5.0
55.01864	6.4
55.05505	85.3
57.03432	1.9
57.07064	3.5
59.05001	4.3
65.03951	3.3
67.05489	9.8
69.03423	8.9
69.07068	6.7
70.06576	1.6
70.63053	2.2
70.63393	2.9
71.04993	6.8
72.08151	2.3
75.04480	1.5
75.50050	1.7
78.04713	2.7
79.03220	1.9
79.05491	6.7
81.03422	1.7
81.07047	17.3
82.06567	1.8
83.04974	97.6
83.08617	36.8
85.02886	2.1
85.06548	5.1
91.05462	14.3
93.03401	4.6
93.07035	17.1
95.04960	100.0
95.08593	8.0
97.06512	9.0
97.10146	7.8
98.67695	1.4
99.04446	16.3
100.07639	2.1
100.11245	10.3
103.05454	4.7
104.15504	1.5
105.07035	5.5
105.27182	1.5
106.04161	13.3
107.03090	1.5
107.04913	3.3
107.08584	21.9
107.09242	1.9
109.06502	5.5
109.10144	22.0
111.04456	3.9
111.08065	12.9
112.66846	1.5
115.37111	1.9
121.06507	15.5
121.10137	10.3
123.04442	2.0
123.08063	2.6
123.11702	12.2
125.06014	3.8
125.09626	11.0
133.10141	11.2
134.03630	3.3
135.24654	2.0
137.05983	3.4
137.09596	2.2
145.10056	1.7
147.11641	2.0
148.05235	2.5
149.05974	20.2
149.13252	7.5
151.11166	34.7
151.12282	2.7
153.09096	24.8
165.12724	1.8
167.14291	63.1
173.13289	2.8
177.05466	10.0
181.08553	3.7
182.15460	10.8
191.06947	2.2
191.14331	2.3
209.04453	2.1
209.08054	4.8
209.15265	25.1
210.14999	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	209.1535
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03941	4.4
55.01859	6.4
55.05495	7.2
55.24767	1.7
55.31310	1.6
57.03426	4.6
57.07072	2.2
59.04990	4.0
60.45057	1.7
65.03938	3.5
67.05508	9.1
69.03400	8.0
69.07053	7.5
69.53275	17.4
71.04980	4.3
72.08142	4.0
75.04464	2.2
77.03902	3.0
78.04701	3.0
79.05494	30.6
81.03400	1.9
81.07053	52.0
83.04960	6.1
83.08606	5.2
85.02901	3.4
85.06512	3.1
91.05476	24.0
93.03400	6.0
93.07040	19.4
95.04960	17.2
95.08614	10.9
97.02856	1.7
97.06538	11.3
98.09667	2.3
98.21520	2.4
103.05448	7.9
105.07021	13.5
106.04166	18.9
107.04944	6.3
107.08589	100.0
108.08912	3.0
109.06516	21.8
109.10134	10.8
111.04427	3.2
111.08083	2.1
115.05452	3.0
115.07561	2.7
117.07004	5.1
119.08573	5.3
121.06490	23.3
121.10143	27.7
122.07272	5.5
123.08054	5.0
123.11714	1.9
125.05970	5.8
125.09620	3.7
131.04912	1.8
131.08578	6.0
133.10123	78.5
134.03603	4.5
135.08037	23.3
135.11688	5.4
137.05968	2.0
137.09602	61.2
139.07550	2.3
145.02789	2.7
145.10118	4.9
148.05121	3.1
149.05952	23.4
149.09599	6.0
149.13277	14.5
151.11160	5.6
153.09087	8.5
163.07614	1.9
163.11174	6.8
163.14833	8.7
165.12746	3.8
167.14299	3.1
173.13234	5.4
177.05444	13.5
181.06496	1.9
181.08537	5.1
191.14302	13.8
205.78416	1.7
209.04301	2.4
209.08083	9.7
209.11717	2.1
209.15375	15.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1535
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03951	2.4
55.01870	8.5
55.05505	16.8
57.03429	7.3
57.07064	5.6
57.19963	1.0
59.04996	6.6
65.03924	4.1
67.05177	1.6
67.05498	18.9
68.99768	5.6
69.03416	9.4
69.07062	22.0
70.06594	6.6
71.04984	9.5
71.75826	1.5
73.06526	1.1
75.04466	1.4
77.03883	1.2
78.04707	1.1
78.13652	1.1
79.05486	20.7
80.04986	1.0
81.03397	7.2
81.07045	32.6
82.07377	1.2
83.04504	1.7
83.04973	23.9
83.08607	12.5
84.08143	10.8
85.02889	2.8
85.06547	9.2
86.09694	2.0
88.03942	1.4
89.03882	2.1
91.05466	28.5
93.03381	3.5
93.07035	43.8
94.07356	1.1
95.04963	18.9
95.08602	31.3
97.02848	2.0
97.06535	12.9
97.10150	3.8
99.04446	3.3
99.08089	21.2
103.05466	11.2
105.07026	22.4
106.04151	9.6
106.06540	3.2
107.04951	8.7
107.08581	63.5
108.08900	2.4
109.06508	21.6
109.10149	24.0
110.07179	1.6
111.04440	5.6
111.08060	13.4
113.09645	1.9
115.05443	1.4
117.03352	1.3
117.06972	4.1
119.04908	1.3
119.08585	10.7
120.08070	1.7
121.02806	1.9
121.06499	32.2
121.08392	2.9
121.10136	41.5
123.04411	2.9
123.08056	21.0
123.11720	8.0
123.12552	1.6
125.05996	11.7
125.09608	12.9
125.13171	1.0
125.26186	1.0
129.07021	1.6
129.10272	1.2
131.04895	4.3
131.08546	15.0
133.10121	26.2
134.03606	3.5
135.04384	3.1
135.08032	18.3
135.11681	8.9
136.07513	1.7
137.05937	3.9
137.09631	13.3
139.03992	1.3
139.07526	9.2
139.11154	6.0
143.08505	1.9
145.02852	2.1
145.10103	8.9
147.04411	1.8
147.11679	8.3
148.05234	9.5
148.08681	1.4
149.05975	21.7
149.09605	100.0
149.13249	27.5
150.06371	1.4
150.10028	2.0
151.03947	1.3
151.07503	1.6
151.11166	48.6
153.09091	15.3
153.12692	1.3
154.09853	3.2
158.10907	3.7
158.80653	1.0
159.04398	1.5
163.03911	5.1
163.07523	2.8
163.11154	5.8
163.14821	14.9
165.05550	1.4
165.12762	1.3
166.06209	1.2
166.07681	1.1
167.07062	5.8
167.14357	2.3
173.13261	25.0
175.11922	1.6
176.04683	2.9
177.05438	14.2
179.14235	1.7
181.04979	2.1
181.08559	3.3
191.03313	1.2
191.07083	5.1
191.08679	1.0
191.10681	2.5
191.14291	30.9
194.00331	2.1
194.05734	10.1
194.12962	1.1
195.18378	1.0
209.02600	3.7
209.04472	7.8
209.08017	24.7
209.09474	1.8
209.11703	2.4
209.15347	61.7
210.05917	1.1
210.07724	2.3
210.11343	1.3
210.15445	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1534
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03942	2.0
55.01862	4.6
55.05230	1.0
55.05503	19.8
56.05031	1.4
56.96560	0.9
57.03429	2.3
57.07059	2.5
58.66505	0.5
58.99571	3.4
59.04994	1.6
60.05639	0.6
61.80001	0.5
65.03934	2.0
65.55955	0.6
67.05496	10.5
68.04995	0.7
69.03415	7.7
69.07058	6.5
70.06589	5.4
71.04985	9.5
71.75414	0.8
71.84641	0.6
72.08159	1.0
73.38734	0.5
79.05482	15.3
79.05922	1.2
80.04996	0.6
81.03405	2.3
81.07049	10.5
82.06561	0.7
83.04971	30.7
83.08150	1.1
83.08610	11.7
84.04517	1.1
84.08128	7.2
84.16222	0.8
85.02876	1.7
85.06516	3.3
86.06071	0.7
86.09694	3.0
86.99036	1.6
88.04010	0.9
89.03917	0.6
91.05466	11.6
93.03395	0.8
93.07031	17.3
95.04957	100.0
95.08605	5.2
96.05275	1.2
97.06503	5.0
97.10172	2.0
99.04447	16.6
99.08134	0.9
100.32562	0.7
102.61082	0.6
103.05472	3.0
105.00099	0.9
105.07018	7.2
106.04147	2.4
106.06539	12.7
107.04957	5.6
107.08579	19.4
108.08921	0.8
109.02857	1.2
109.06507	15.6
109.10140	10.8
110.07159	3.7
111.04430	2.4
111.08059	4.9
111.09216	0.7
112.08729	1.2
115.05478	0.9
115.07507	0.9
117.03335	0.6
117.06994	2.7
118.06532	1.7
119.04904	0.8
119.06112	0.6
119.08562	4.9
120.08092	2.2
121.01122	1.1
121.02901	0.8
121.06496	10.0
121.08403	0.9
121.10134	13.1
122.06066	0.8
123.04414	1.6
123.08058	3.1
123.09098	0.6
123.11689	3.3
125.05981	3.8
125.09616	6.8
127.03956	0.6
129.07043	0.9
129.10278	1.1
130.07739	0.6
131.04935	1.4
131.08551	15.4
131.95953	0.7
133.10112	8.3
134.03580	0.8
135.04375	1.4
135.08038	4.8
135.11629	3.0
136.07539	0.7
137.05927	1.6
137.09602	1.2
139.07523	1.6
145.02803	0.6
145.06459	1.2
145.10118	8.1
147.04329	0.8
147.08017	1.8
147.11636	2.3
148.05168	0.8
149.05962	5.6
149.09608	18.9
149.13269	3.0
150.10054	1.0
151.07516	0.6
151.11160	10.9
153.05424	2.1
153.09081	22.8
156.07579	0.6
163.03862	1.4
163.07520	2.3
163.09720	1.1
163.11157	8.4
163.14825	1.5
164.01633	1.4
164.05280	2.8
164.07013	0.9
165.05521	0.8
165.06898	0.6
165.09116	3.5
166.06190	0.8
166.07774	0.7
167.07056	1.5
167.10606	1.4
167.14293	16.6
173.09579	1.7
173.13220	4.6
175.11867	1.4
177.05453	4.6
181.04961	1.1
181.06483	0.7
181.08488	1.3
181.09958	0.7
191.03279	0.9
191.06995	1.9
191.10658	10.3
191.12329	1.1
191.12651	0.9
191.14262	8.2
192.01131	0.9
194.00282	1.9
209.02592	2.0
209.04411	3.8
209.06294	1.0
209.07990	3.8
209.09808	1.3
209.11717	10.6
209.15334	24.3
210.02252	0.9
210.05754	3.9
210.07593	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1533
Annotation	3-Hydroxy-alpha-ionone
Peak:m/z	Relative Intensity
53.03931	3.5
54.48462	0.8
55.01860	2.5
55.05505	77.3
56.05834	1.1
57.03423	2.2
57.07062	2.7
59.04988	4.6
67.05502	10.2
69.03413	6.9
69.07065	6.8
71.04973	4.7
71.29054	2.5
79.05095	0.9
79.05482	6.1
81.06602	1.3
81.07046	15.2
83.04971	100.0
83.08611	37.3
84.05317	1.5
85.06536	3.8
91.05486	4.7
93.07043	11.6
95.04955	32.1
95.08605	8.0
97.06523	14.1
97.10166	7.8
99.04430	4.5
99.08096	1.0
104.78962	0.9
105.07006	5.5
107.07904	1.6
107.08586	19.4
107.48109	0.8
109.06508	36.6
109.10143	24.9
109.10876	1.6
111.08077	10.5
113.09650	2.0
114.01276	0.8
119.08556	2.3
121.10139	13.5
123.08064	3.1
123.11705	13.2
125.09624	12.4
131.08554	2.7
133.10112	11.6
135.08052	3.0
135.11664	1.6
145.10080	1.7
149.09657	1.3
149.13249	8.3
151.11163	36.5
152.11447	0.9
153.09087	13.5
163.14911	1.2
167.14293	71.5
168.14641	2.1
173.13254	4.5
191.14305	6.9
209.15344	26.0
222.74374	0.9
225.24881	0.9
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-alpha-ionone
Peak:m/z	Relative Intensity
53.03939	2.4
55.01855	3.7
55.05507	77.5
57.03410	1.6
57.07058	1.4
59.04977	3.1
63.76014	1.1
65.20264	1.1
66.98627	1.0
67.05497	7.3
69.03428	7.0
69.07050	4.3
70.86289	2.5
70.86614	1.3
71.05011	3.2
73.09930	1.2
79.05486	4.5
81.07041	13.4
82.88212	1.2
83.04974	100.0
83.08614	41.6
85.06535	2.9
91.05481	5.1
93.07036	9.8
95.04970	5.1
95.08597	5.3
97.06510	6.9
97.10184	7.4
103.05383	1.4
105.07013	5.4
106.04194	1.4
107.08578	15.1
109.06499	9.6
109.10149	23.9
111.04397	1.6
111.08067	10.6
113.09640	2.7
121.06490	5.0
121.10138	8.5
123.08038	1.7
123.11686	14.5
125.05989	1.5
125.09614	15.0
133.10117	5.3
137.09563	1.5
149.05969	3.1
149.09561	1.6
149.13248	7.4
151.11171	38.8
153.09026	3.2
167.14305	74.5
168.14650	2.8
173.13295	2.6
177.05424	2.1
191.14348	2.8
207.88608	1.3
209.08049	1.9
209.15338	25.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1534
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03936	1.7
55.01869	1.7
55.05505	34.6
55.17909	0.8
57.03426	1.6
57.07065	1.6
59.04988	1.7
65.03926	1.5
67.05497	5.5
69.03423	3.7
69.07059	8.6
69.86935	1.2
69.87342	3.5
71.04984	2.8
73.06533	0.7
79.05492	9.3
79.31186	0.8
81.07050	7.4
81.45415	0.7
83.04972	36.9
83.08612	18.2
84.08155	1.0
85.06483	1.6
86.53025	0.8
86.53555	0.8
89.03888	0.8
91.05473	7.8
93.07034	33.5
95.04958	46.0
95.08582	8.1
97.06519	5.0
97.10165	3.5
98.21427	1.1
99.04443	8.3
105.07011	8.9
106.04161	3.5
107.08582	34.7
109.06509	11.9
109.10149	9.5
109.37837	0.9
111.08071	4.8
119.08563	3.7
121.06488	3.4
121.10133	100.0
122.10471	2.3
123.08051	2.7
123.11704	3.5
125.05968	1.5
125.09609	6.4
131.08583	1.3
133.10124	5.7
135.08018	2.2
135.11687	3.9
145.10106	1.8
149.05972	2.9
149.09584	1.0
149.13252	3.5
150.09134	6.1
151.11171	13.6
153.09113	9.7
163.14803	17.9
167.14305	24.3
173.13269	3.2
177.05441	1.7
191.14290	8.0
209.07953	1.3
209.15358	17.8
210.11153	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1534
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03942	4.9
55.01857	8.1
55.05515	11.8
57.03436	15.6
57.07066	5.1
59.04989	4.3
60.55365	1.6
61.42995	1.7
65.03928	4.7
67.05482	13.1
69.03419	7.2
69.07068	12.8
69.52015	17.3
70.06579	3.1
71.04983	16.4
72.08157	11.6
79.05480	16.3
81.03403	1.9
81.07053	32.1
83.04976	11.1
83.08595	8.0
84.08143	2.4
85.06525	4.5
89.03925	2.1
89.06017	2.2
89.94397	2.1
91.05476	19.5
93.03378	4.5
93.07035	27.7
95.04962	100.0
95.08588	18.1
97.06512	24.3
98.97566	3.3
99.04458	21.5
99.08052	2.9
103.05466	8.5
105.07024	19.6
106.04177	10.5
107.04968	4.7
107.08589	35.0
109.06512	86.1
109.10154	25.7
110.18568	1.7
111.04414	2.1
111.08091	13.4
112.07537	2.0
117.03366	2.7
117.07005	3.7
119.04920	2.7
119.08574	11.6
121.06493	25.1
121.10132	35.9
123.08046	11.2
123.11665	6.4
125.06028	3.3
125.09626	7.8
126.43880	1.8
129.07028	2.6
131.04945	4.3
131.08540	9.2
133.10117	32.4
135.08020	13.6
135.11678	9.3
137.06012	2.0
137.09592	6.9
139.07536	3.2
139.11127	5.0
145.02852	2.8
145.10101	7.2
147.11661	9.6
149.05959	24.3
149.09589	13.2
149.13257	16.0
151.11154	10.3
153.05553	2.7
153.09105	56.6
158.10883	5.7
163.07457	3.0
163.11156	5.3
163.14790	11.2
165.12669	2.7
167.07007	2.8
167.14279	3.8
173.01196	2.2
173.13295	20.3
177.05438	13.3
181.08589	3.0
191.02234	2.5
191.07016	4.6
191.14291	53.5
192.09911	2.0
209.04436	3.7
209.08058	5.9
209.11546	2.2
209.15329	48.1
214.18513	2.1
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	Hofmeisterin
Peak:m/z	Relative Intensity
51.02374	1.1
53.03941	8.7
55.01626	1.2
55.01866	13.4
55.05500	3.1
57.03422	2.0
65.03931	14.7
67.05504	7.4
69.03399	1.8
69.07066	2.7
70.06570	4.2
71.04975	1.3
71.15641	2.7
75.04473	12.5
76.30029	1.2
77.03888	2.4
78.04702	14.0
79.05477	10.4
81.03403	3.5
81.07047	4.0
82.06544	1.3
83.04973	2.6
83.08595	1.6
84.08133	6.3
85.02896	8.5
85.06557	1.5
86.09689	1.9
89.03901	8.1
89.06010	3.1
91.05471	51.4
93.02840	2.4
93.03394	33.1
93.07027	20.9
95.04955	26.8
95.08588	3.3
97.06522	12.3
98.09364	1.1
99.04444	3.2
103.05455	21.2
105.03353	2.7
105.04508	3.0
105.07021	3.8
106.04164	84.7
107.04958	7.4
107.08577	5.1
108.05676	1.9
109.06503	8.5
109.10149	2.2
110.03661	1.3
110.07257	1.7
111.04421	4.0
111.08034	1.8
117.03379	4.5
118.04134	1.7
119.04925	4.0
120.05712	2.4
120.08170	1.7
121.06490	88.7
121.10116	3.5
122.03619	1.7
122.07279	2.2
123.04435	4.5
123.08024	4.4
124.05199	3.2
125.05979	22.2
128.22733	1.2
131.04901	9.4
131.08528	2.1
133.05251	1.5
133.10130	1.3
134.03627	15.2
135.04376	5.0
135.08035	3.9
135.11670	1.9
137.05946	14.6
138.06755	4.2
139.03947	1.2
139.07504	6.5
145.02837	7.0
145.06419	1.3
145.10110	2.0
147.04381	2.8
148.05147	10.1
149.05968	100.0
149.09583	2.1
149.13264	1.9
150.06487	2.2
151.03874	1.9
151.07494	5.0
153.05452	6.8
153.09093	23.4
159.04408	2.9
162.03145	1.4
163.03896	3.9
163.07558	6.8
163.11121	2.3
165.05472	3.0
166.06227	3.9
167.06999	3.6
173.13106	1.3
176.04674	2.9
177.05460	41.6
177.06992	2.5
181.08591	23.0
191.07033	6.8
191.14363	2.3
209.02719	1.3
209.04443	5.2
209.06155	1.2
209.07996	22.2
209.09683	2.2
209.11630	2.3
209.15295	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	209.1533
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
51.02401	1.0
53.03970	2.3
55.01868	9.5
55.05506	20.8
57.03460	3.1
57.07094	2.5
59.05022	1.8
59.10724	0.7
60.29824	0.7
65.03919	4.3
67.05495	9.3
68.05041	0.7
69.03419	6.3
69.07063	9.4
70.06612	2.3
71.04971	4.7
71.74211	0.9
72.08144	5.6
75.04504	1.5
77.03965	1.1
78.04736	2.1
79.05488	13.3
79.05907	0.8
81.03445	2.0
81.07051	15.1
83.04975	28.2
83.08609	12.3
84.04597	0.7
84.08181	2.8
85.02928	2.6
85.06527	3.6
89.03936	1.6
89.06030	1.2
91.05469	21.5
93.03393	5.7
93.07035	27.4
94.06590	0.8
95.04961	18.4
95.08598	8.3
97.06522	8.9
97.10200	2.7
99.04450	3.3
99.08163	0.8
103.05462	5.2
105.07016	14.2
106.04169	15.4
107.04973	4.4
107.08585	36.9
109.02890	1.0
109.06507	14.0
109.07194	1.1
109.10156	9.7
111.04462	2.6
111.08076	4.5
113.09668	0.9
114.10392	0.7
115.05495	0.9
117.03387	1.2
117.07001	5.5
119.04893	1.6
119.08575	14.0
120.08902	0.7
121.06496	25.8
121.10136	15.2
121.10963	0.9
122.09644	1.1
123.04433	1.2
123.08073	8.1
123.08937	1.0
123.11711	3.4
125.06004	4.8
125.09596	6.0
127.07622	1.0
129.07011	1.2
131.04900	2.1
131.08551	14.3
133.06480	1.1
133.10123	14.4
134.03651	3.5
135.04469	1.7
135.08040	13.7
135.11676	5.8
137.05949	2.3
137.09660	2.5
138.06734	1.4
139.03929	1.1
139.07541	1.2
139.11221	0.7
145.02864	1.3
145.10107	11.5
147.08029	7.7
147.11676	41.4
148.05176	1.8
148.12027	0.9
149.05969	18.8
149.09608	14.7
149.13239	20.6
150.06458	0.9
151.07512	1.5
151.11176	10.4
153.05457	1.8
153.09097	7.7
158.10919	2.2
159.04482	0.9
161.09650	2.0
162.10385	0.7
163.03906	0.8
163.07558	1.9
163.11168	10.2
163.14795	2.6
165.05449	0.7
166.06374	0.9
166.15877	5.7
167.06995	2.4
167.14296	16.9
173.09532	0.8
173.13251	15.9
173.44701	0.6
173.89406	0.7
175.11162	1.2
175.42867	0.6
176.11961	2.9
177.05457	8.8
180.07791	0.7
181.06403	0.9
181.08583	2.8
181.10001	0.8
191.07036	1.4
191.10745	4.3
191.14294	100.0
192.14638	2.6
194.05672	1.4
209.04489	4.1
209.06328	0.9
209.08025	5.7
209.09785	1.4
209.11761	3.8
209.13393	1.7
209.15346	27.9
210.11223	1.7
210.14989	1.1
210.18591	3.5
214.01291	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0806
Annotation	Hofmeisterin
Peak:m/z	Relative Intensity
53.03942	6.1
55.01866	12.7
55.05506	4.9
56.96533	1.4
57.03419	1.9
57.07047	3.0
58.99570	1.9
59.04973	1.0
65.03622	1.3
65.03930	17.4
67.05497	10.8
68.99768	2.4
69.03413	5.2
69.07041	4.4
69.45060	9.6
69.46301	0.9
70.06563	5.9
70.35979	0.9
71.04978	4.3
75.04470	12.4
77.03904	1.5
78.04693	13.9
79.05480	18.5
81.03390	3.9
81.07065	6.0
82.04182	2.0
83.04968	7.7
83.08601	2.4
84.08132	11.0
84.92203	1.0
85.02901	9.5
85.06512	1.9
86.09690	4.1
86.99005	0.9
89.03922	7.8
89.06011	3.2
91.05464	57.6
92.05801	1.1
93.03387	32.4
93.07032	27.3
95.04955	27.7
95.08580	4.4
97.06513	18.0
99.04426	1.9
102.04639	1.0
103.05449	22.3
103.60277	0.9
105.03365	2.6
105.04491	3.5
105.07018	6.0
106.04156	86.0
106.06544	6.7
107.04969	10.6
107.08572	11.4
108.02015	1.1
108.05708	2.1
109.02850	2.0
109.06506	13.3
109.07605	1.1
109.10125	3.7
110.03652	2.0
110.07155	3.2
111.04442	6.0
111.08045	1.5
112.08738	1.2
117.03370	4.9
117.07007	2.7
118.04096	1.1
119.04913	7.1
119.08574	2.4
119.27299	1.1
120.05752	1.4
120.08071	2.2
121.02848	3.5
121.06487	89.9
121.08336	2.4
121.10122	7.3
122.05982	0.9
122.07286	2.1
123.04401	5.6
123.08074	4.7
123.08908	0.9
123.11691	1.8
124.05189	3.2
125.05975	28.0
125.09579	3.5
129.10222	1.6
131.04922	9.8
131.08553	7.5
133.02837	3.0
133.06479	1.6
133.10107	3.3
134.03622	15.7
135.04390	8.8
135.08038	5.0
135.11662	4.3
136.07553	1.1
137.05968	12.9
138.03107	1.3
138.06743	5.4
139.03798	1.9
139.07503	5.9
139.90283	0.9
145.02847	5.2
145.10103	5.3
147.04372	2.6
147.11624	1.3
148.05209	8.7
149.02307	3.2
149.05960	100.0
149.09590	8.3
149.13216	4.0
150.06393	2.0
151.03860	2.3
151.07512	4.8
151.11157	4.1
152.04628	1.7
152.08278	1.9
153.05460	8.3
153.09084	22.7
159.04404	2.2
163.03915	5.0
163.07487	8.0
163.11209	4.7
163.14787	1.4
164.05295	1.2
165.05408	2.1
165.09068	2.0
166.06236	3.9
167.07019	6.8
167.14301	2.7
173.13258	2.7
175.11986	0.9
176.04593	1.7
177.05443	42.9
177.06985	2.2
180.07819	2.3
181.04915	3.9
181.06311	1.1
181.06857	1.2
181.08583	19.3
181.10112	1.6
181.26834	1.1
191.03439	1.5
191.07008	6.6
191.10677	3.5
191.14331	6.6
194.00429	1.0
194.05652	1.9
196.34634	0.9
209.02626	1.2
209.04443	10.2
209.06387	0.9
209.08009	22.0
209.09685	2.5
209.11633	4.6
209.13364	1.4
209.15308	18.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0806
Annotation	Methyl ferulate
Peak:m/z	Relative Intensity
53.03941	7.3
55.01864	18.0
55.05499	2.7
55.76153	1.0
57.03424	2.0
60.04515	3.1
65.03927	17.9
66.04731	0.9
67.05497	6.9
68.99782	2.7
69.03417	1.2
69.07047	1.6
69.75440	5.6
69.75860	2.0
70.06576	1.9
71.04980	2.3
75.04102	1.5
75.04468	11.6
77.03924	1.3
78.04698	15.0
79.05485	11.8
81.03413	4.6
81.07065	3.0
82.04185	2.0
83.04977	3.1
83.08649	0.9
84.08138	4.6
85.02902	10.8
89.03905	9.9
89.06007	3.3
91.05467	66.8
92.02620	1.4
92.05769	1.3
93.03393	34.6
93.07028	23.7
94.04173	1.2
94.06557	1.0
95.04958	27.9
95.08610	2.5
96.05753	1.1
97.06515	13.4
103.05450	22.3
105.03381	5.1
105.04494	2.7
105.07023	3.8
106.04158	92.4
107.04452	0.8
107.04972	9.2
107.08576	2.3
108.02138	1.1
108.05720	1.0
109.06485	6.8
110.03645	2.2
110.07245	1.2
111.04424	6.9
113.06004	1.1
117.03373	7.4
118.04169	3.0
119.04948	6.5
119.08579	1.3
120.02106	1.5
120.05750	2.0
121.02876	5.6
121.06489	89.5
121.10092	1.6
122.07286	1.7
123.04420	5.4
123.08071	3.8
124.05210	4.1
125.05975	23.9
125.09641	1.6
126.42280	0.8
130.04102	1.1
131.04919	9.0
131.05898	1.4
131.08510	1.1
133.02834	2.2
133.06538	1.8
133.10173	0.9
134.03629	14.4
135.04413	9.5
135.08040	2.3
135.11708	2.1
136.07574	1.0
137.05956	14.8
138.03130	1.3
138.06769	5.2
139.07516	7.1
145.02814	7.8
147.04410	2.8
148.05164	10.3
149.02364	4.1
149.05962	100.0
149.13283	0.9
151.03891	2.4
151.07478	4.4
151.11186	3.0
152.04723	1.0
152.08307	1.4
153.05464	8.0
153.06593	1.1
153.07086	0.8
153.09099	17.9
159.04362	2.3
162.03163	0.9
163.03870	4.9
163.07512	15.3
165.05592	2.1
166.06281	3.8
167.07004	3.0
173.13293	1.2
176.04726	2.2
177.05460	43.8
180.07875	1.2
181.04951	3.7
181.08583	22.6
181.10109	2.0
190.05666	0.9
191.06987	17.9
191.08653	1.1
191.14290	3.1
194.05756	2.0
209.04431	8.4
209.08011	29.2
209.11404	1.1
209.15314	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	209.0805
Annotation	Methyl ferulate
Peak:m/z	Relative Intensity
51.02370	1.6
53.03943	10.0
55.01865	21.4
55.05498	5.5
56.96559	1.7
57.03428	3.1
58.99564	2.6
65.03934	10.1
67.05492	5.4
68.99770	1.9
69.03419	3.3
69.07039	3.2
70.06579	5.7
71.04958	1.5
71.75916	1.8
75.04467	8.6
75.57463	1.1
78.04701	5.6
79.05479	16.7
81.03401	2.9
81.07047	7.9
82.94724	1.1
83.04973	7.6
83.08585	2.3
84.04498	1.9
84.08139	11.3
84.50696	1.3
85.02924	6.6
86.09702	3.4
86.99045	2.0
89.03908	7.7
91.05472	53.3
93.03391	15.4
93.07034	26.1
95.04953	20.6
95.08578	5.2
97.06506	10.6
99.04449	1.5
103.05458	33.7
105.03378	1.7
105.04490	4.1
105.07031	5.5
106.04157	52.3
106.06532	8.9
107.04962	10.7
107.08576	7.7
109.06501	10.8
109.10149	2.3
110.07153	2.0
111.04427	3.4
111.08035	1.7
117.03378	8.1
117.07005	1.4
119.04929	8.7
119.08546	1.8
120.08055	1.7
121.02894	2.0
121.06494	85.5
121.08403	4.2
121.10112	6.8
121.86918	1.3
122.07352	1.3
123.04414	4.7
123.08064	3.2
124.05151	1.5
125.05970	13.7
125.09599	1.8
131.04936	14.9
131.08560	3.0
133.02826	2.7
133.10097	4.0
134.03618	11.7
135.04439	7.5
135.08031	4.2
135.11650	3.7
137.05989	9.9
138.06738	3.5
139.07530	3.9
145.02835	9.1
145.10110	3.6
147.04391	3.3
147.11659	1.5
148.05161	8.9
149.05962	100.0
149.09627	5.5
149.13268	3.1
151.03900	1.6
151.07635	1.7
151.11172	3.1
153.05449	5.1
153.09081	14.1
159.03279	1.3
159.04381	6.2
162.03123	1.8
163.03882	5.0
163.07478	6.1
163.11182	2.5
163.14868	1.9
164.05241	1.6
164.81299	1.2
165.12703	1.4
166.06255	4.5
167.07042	5.7
167.10620	1.5
167.14302	2.0
173.13234	3.6
176.04750	1.5
177.05449	55.2
180.07793	2.9
181.04973	2.8
181.07497	1.4
181.08647	14.2
191.07030	9.2
191.10579	2.1
191.14215	6.2
194.05678	2.4
209.02730	1.5
209.04369	6.4
209.08047	23.4
209.09767	2.5
209.11601	1.7
209.15358	18.0
216.44955	1.3
221.22458	1.3
222.81920	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	208.0968
Annotation	Streptazolin
Peak:m/z	Relative Intensity
60.05651	0.2
63.22842	0.1
65.03928	0.5
67.05502	0.1
69.07058	0.1
70.06583	0.3
70.17508	0.3
70.17904	0.2
84.08127	0.3
86.09702	0.6
91.05472	8.6
92.05807	0.5
92.80737	0.1
93.07012	0.2
94.06557	0.3
99.82237	0.1
103.05550	0.1
105.07010	0.1
107.04960	0.2
110.07162	0.3
119.04932	24.7
120.05244	0.7
120.08105	0.7
131.28433	0.1
137.09624	0.2
147.04393	100.0
148.04727	2.2
149.08220	0.1
153.68443	0.1
156.07677	0.2
162.05492	0.2
162.09090	0.3
163.03931	0.1
176.04272	0.3
190.08650	0.5
191.07002	0.2
208.09653	1.0
209.02562	0.2
209.04362	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0264
Annotation	2-Naphthalenesulfonic acid
Peak:m/z	Relative Intensity
55.01872	0.9
55.02076	0.2
55.05499	0.6
55.40169	0.2
56.10821	0.2
57.03440	0.2
57.07061	0.2
58.99577	2.1
60.05633	0.2
65.03927	0.3
67.05505	0.9
69.03423	0.4
69.07055	0.7
69.98795	0.2
70.06593	1.4
71.04980	0.8
71.75644	0.1
72.08145	0.2
73.16898	0.2
75.04494	0.2
76.02197	0.4
77.84167	0.2
79.05482	3.5
81.03413	0.4
81.07029	0.9
82.06559	0.2
83.04964	0.9
83.06091	0.2
83.08632	0.2
84.04511	0.3
84.08128	2.3
85.02873	0.2
85.06540	0.3
85.08479	0.2
86.00632	0.4
86.06071	0.2
86.09702	1.0
86.99042	0.9
88.03976	0.5
91.05470	2.4
93.07034	1.9
94.06593	0.2
95.04947	1.5
95.08600	0.6
97.06509	0.5
97.07654	0.2
98.06080	0.2
99.04415	0.3
102.04696	0.2
103.05450	0.7
105.00071	0.6
105.07031	1.2
106.04166	0.4
106.06542	6.6
107.04946	1.1
107.08578	2.2
109.02850	0.2
109.06512	1.0
109.07636	0.2
109.10143	0.4
110.01864	1.3
110.07141	1.1
111.04439	0.5
111.08075	0.2
112.08681	0.3
117.03346	0.2
117.05723	0.2
117.06988	0.4
118.06537	0.8
119.04980	0.4
119.08574	0.6
120.08099	0.6
121.01073	8.1
121.02874	0.3
121.06494	2.0
121.10126	1.1
122.01431	0.2
123.04504	0.1
123.08052	0.4
124.08611	0.2
125.05990	0.7
125.09611	0.3
129.06960	0.3
129.10211	0.3
130.04076	0.2
130.06516	0.6
131.04915	0.5
131.08548	2.4
133.02840	0.2
133.10141	0.3
135.04413	0.6
135.08020	0.6
135.11668	0.5
137.00499	0.8
137.05908	0.3
137.09622	0.3
138.01323	3.6
139.03828	0.2
139.07513	0.2
143.08528	0.2
145.02798	0.3
145.06517	0.3
145.10097	1.4
147.04388	0.6
147.11571	0.2
147.99791	0.2
148.05167	0.3
149.00543	8.5
149.05977	1.4
149.09590	3.1
149.13216	0.3
150.00822	0.2
151.11174	0.5
153.05432	0.5
153.09109	0.4
159.04387	0.2
161.02328	0.2
163.03883	0.3
163.07520	0.8
163.11150	1.3
163.14647	0.2
164.05270	1.3
164.06880	0.3
165.00024	0.3
165.09073	0.4
166.00824	20.7
166.07632	0.2
167.01247	0.5
167.06998	0.4
167.10619	0.3
167.14291	0.2
173.09683	0.3
173.13251	0.2
176.04678	0.9
177.00043	2.4
177.05455	0.9
179.03377	0.2
179.98732	0.3
181.03181	0.4
181.04854	0.2
181.08501	0.2
181.09998	0.3
185.97397	0.2
191.06984	0.6
191.10687	1.6
191.14272	0.5
194.00308	70.8
195.00641	1.6
209.02647	100.0
209.11607	2.1
209.15297	2.3
210.02966	2.6
210.05801	1.7
210.07562	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	208.0603
Annotation	2-Formaminobenzoylacetate
Peak:m/z	Relative Intensity
53.03944	2.3
55.01868	4.2
55.05504	3.2
56.05033	3.0
57.07078	2.6
58.06572	2.5
59.09053	1.5
59.83443	1.6
67.05508	2.7
67.73566	1.8
69.07077	2.2
70.06596	9.9
70.17191	8.3
72.08140	5.4
79.05486	4.0
80.05008	2.2
81.03387	2.8
82.06570	2.2
84.04498	3.4
84.08140	22.5
85.06567	2.1
86.09687	8.9
87.04469	1.8
89.03882	2.6
91.05472	7.9
94.06583	5.5
95.04984	3.5
96.15199	2.2
98.06058	2.9
98.21160	4.5
98.63419	1.8
103.05431	3.7
105.06999	4.4
106.06580	2.7
106.07356	2.5
107.04930	2.3
109.02866	2.4
110.06084	1.8
111.09199	2.3
111.67156	1.8
112.08711	3.8
118.06536	7.3
119.04929	7.6
119.06822	1.9
120.04442	4.2
120.07252	1.5
120.08089	40.2
120.08775	1.6
121.06522	3.2
121.07538	2.4
121.10142	2.0
122.07134	1.9
123.09203	2.1
128.04947	11.6
129.10222	5.9
130.08614	4.0
134.05997	8.3
134.09641	5.4
137.09682	3.0
144.04483	3.4
144.08009	4.1
146.06000	100.0
147.04399	18.0
147.06389	5.2
148.03850	4.3
148.07565	2.3
150.10223	4.0
156.52249	1.9
162.05484	54.7
162.09114	11.3
166.04985	2.6
166.08600	5.1
180.06575	4.2
180.10147	2.8
187.64128	2.2
190.05046	3.9
190.08630	5.0
191.08026	5.4
193.15852	8.5
202.96617	2.2
208.05992	10.3
208.09444	12.0
208.15576	2.7
208.17760	2.1
209.04390	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	207.1378
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
53.03936	2.2
55.05501	7.7
57.07058	3.6
59.04996	1.5
65.03902	1.8
67.05146	1.7
67.05500	27.7
67.06689	1.2
69.03424	6.2
69.07049	4.4
71.04985	3.0
71.08466	2.3
72.08144	1.5
79.05493	9.3
81.07047	8.9
83.04962	4.4
85.02893	12.2
85.06528	9.9
91.05476	12.1
91.54279	1.1
93.07037	18.6
95.04945	5.7
95.08596	100.0
97.06522	1.9
105.07022	22.4
107.04922	1.8
107.08582	23.7
109.06524	6.6
109.10146	6.7
111.08053	3.0
113.05978	4.9
117.07005	3.7
119.04987	2.8
119.08571	32.0
119.11887	1.2
120.09383	1.5
121.06492	6.8
121.10126	21.5
123.08059	67.7
123.11698	14.8
129.06998	1.4
131.08562	8.3
133.06488	3.0
133.10127	9.1
135.08031	2.8
135.11650	3.7
135.86395	1.3
137.09610	6.7
137.13232	1.8
139.07527	2.8
143.08531	2.4
145.10114	3.0
147.08064	6.3
147.11659	22.2
149.09605	64.9
150.02448	1.2
150.10075	2.5
151.07497	3.5
151.14813	4.2
156.09358	6.1
159.08028	2.7
160.08882	1.3
161.09599	3.1
161.13252	21.4
163.11174	4.9
165.09096	1.6
165.12730	11.7
171.11665	6.9
174.10382	5.1
179.14272	2.1
189.12715	28.9
207.11800	2.5
207.13788	51.2
208.14207	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	208.0453
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	0.4
55.01881	1.0
55.05523	0.8
55.58436	0.4
56.05049	1.1
56.96558	4.9
57.07071	0.6
58.99615	0.4
58.99886	1.8
67.05524	0.4
69.03426	0.7
69.92910	0.4
70.06615	0.7
71.72985	0.4
71.73416	1.0
71.95319	0.6
72.08173	1.2
77.00892	2.2
81.03414	2.9
81.95083	0.5
83.04977	0.7
84.08132	3.0
85.02924	0.9
89.97693	0.4
95.01945	0.5
97.02850	0.4
98.97572	4.6
99.05592	0.6
100.02480	0.9
100.08762	0.7
101.00896	0.8
103.00622	0.5
103.02435	0.9
103.05486	0.4
105.00349	0.9
105.07040	0.5
108.04476	0.8
109.02857	3.8
110.96752	0.4
112.11221	0.6
115.02443	1.7
116.98608	5.3
117.66534	0.4
118.01147	0.6
118.03502	1.2
119.01910	7.6
120.02038	0.9
120.08096	3.1
121.01662	2.6
121.03497	0.7
122.97687	0.6
129.03963	1.3
129.10217	0.7
131.01889	5.5
133.03473	2.0
134.88106	0.4
134.99648	6.7
137.02928	3.5
139.02588	1.7
141.03978	1.3
142.03503	1.6
142.98732	0.5
143.01868	0.6
143.03618	0.5
144.03264	1.6
145.03442	1.8
146.99744	1.2
147.05034	1.5
149.00929	0.8
149.02974	1.6
149.97137	0.6
153.00728	1.6
154.03452	0.6
156.00339	0.4
157.03456	11.5
157.04539	0.5
159.05016	3.8
160.04541	0.8
161.02954	1.4
161.04727	0.6
162.03117	2.8
162.04323	1.0
162.09187	0.6
162.95866	0.5
163.02675	0.8
165.10268	0.7
167.01849	6.0
167.03197	0.6
172.26277	0.5
173.02997	2.1
174.97614	0.6
175.04518	3.2
177.00943	1.2
177.06081	1.9
180.05074	1.3
182.06644	1.6
184.04489	1.3
185.02939	100.0
185.04471	4.0
185.06447	2.1
185.97427	0.7
186.03082	2.9
186.04535	0.5
186.06070	0.7
190.03467	1.4
190.08653	0.5
191.04022	0.6
191.99554	0.5
200.07701	1.0
202.98708	1.4
203.02275	3.1
203.03979	39.7
203.05632	1.6
203.07552	2.4
204.04161	1.5
208.04524	30.9
208.09673	1.1
209.04591	1.9
214.95537	0.5
221.03136	1.3
221.05060	1.8
226.03818	0.4
226.05577	5.2
227.03854	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1377
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
51.02368	0.6
53.03944	1.0
55.01865	1.6
55.05499	2.3
57.07070	1.6
65.03923	2.6
67.05496	6.4
69.03426	3.7
69.07056	2.3
70.06580	1.3
70.87434	1.1
71.04985	1.4
77.03896	0.7
79.05482	6.7
81.03418	0.7
81.07046	16.5
81.31654	0.5
83.04968	1.8
83.06086	0.5
84.04480	0.6
84.08143	1.1
85.02895	100.0
85.06544	1.0
86.03237	0.8
87.05586	0.7
89.03925	1.0
91.05466	23.1
91.06040	1.1
93.07047	7.4
95.04963	3.1
95.08594	6.6
97.02865	0.8
97.06516	0.8
101.57529	0.5
102.38207	0.6
103.05444	4.1
105.03376	0.9
105.07016	13.6
107.04944	1.9
107.08582	6.2
109.06505	4.4
109.10147	17.6
111.04436	1.5
111.08078	0.8
115.05427	1.5
117.07017	2.6
118.04127	1.8
119.04926	17.3
119.08571	13.3
120.08102	1.5
121.02826	0.7
121.06473	2.3
121.10131	11.1
123.04427	0.9
123.08073	4.1
123.11693	59.8
124.12081	1.1
125.05975	10.8
128.06204	0.7
129.06975	1.4
130.07748	0.7
131.04907	3.5
131.08553	3.9
132.02077	1.4
133.06462	2.6
133.10147	2.7
135.04405	1.6
135.08044	0.7
135.11613	0.7
136.05173	0.9
136.07556	0.6
137.05954	1.5
137.09604	2.7
139.07547	1.3
141.05428	1.5
141.07047	0.7
143.08527	1.8
144.08061	0.5
145.06505	1.2
145.10100	5.6
146.03651	1.2
146.07310	0.7
146.10854	0.7
147.04395	13.5
147.05557	0.9
147.08018	7.1
147.11668	12.7
147.12843	0.6
148.04842	0.8
148.08662	0.7
149.02322	2.3
149.05942	1.0
149.09599	14.8
151.07542	5.8
156.09340	2.8
157.03987	0.9
159.08066	1.1
160.08849	0.7
161.05974	4.4
161.09589	3.8
161.13226	2.4
162.09119	0.8
163.03897	0.7
163.07521	1.4
163.11156	1.7
164.04668	1.9
164.07872	0.7
165.09023	2.3
165.12743	2.8
169.08556	1.2
171.11668	2.9
174.10411	1.7
175.03888	15.2
177.01779	0.7
177.05551	0.6
179.07034	3.5
179.14323	0.7
189.05545	0.8
189.09142	1.4
189.12729	10.1
192.04155	6.5
193.34615	0.5
207.02893	1.0
207.06493	15.5
207.08067	0.7
207.10146	2.3
207.13789	35.5
208.14262	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1378
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
53.03931	0.7
55.01861	0.7
55.05502	2.2
59.04993	2.5
60.50371	0.6
67.05493	2.7
69.03418	5.3
69.07055	1.5
70.53173	0.8
71.04981	3.7
71.19221	1.7
72.08152	1.3
73.58931	0.6
73.80646	0.6
79.05492	5.1
81.07050	5.2
83.04976	3.3
85.02887	1.6
88.40034	0.6
91.05475	8.0
93.07041	7.3
95.04969	2.3
95.08598	6.3
97.06522	2.4
103.05462	1.1
105.07023	14.9
107.04948	1.2
107.08578	9.8
109.06499	4.6
109.10123	2.1
111.08057	0.7
117.06995	0.9
119.04913	3.6
119.08562	11.7
120.08033	0.8
121.06499	5.4
121.08432	3.8
121.10137	10.2
123.04404	0.8
123.08046	12.2
123.11685	3.4
129.06870	0.9
131.08542	3.6
133.06464	5.0
133.10107	4.2
135.08029	1.9
135.11595	0.9
137.09618	5.1
137.13216	1.0
143.08546	2.4
145.10158	3.2
146.03514	0.7
146.07236	0.8
146.10814	1.2
147.04401	2.9
147.08017	3.9
147.09003	0.7
147.11664	9.4
149.02348	0.8
149.09601	100.0
150.09937	3.0
151.07521	3.3
156.09346	3.8
159.08089	0.9
159.11668	1.9
160.08725	0.9
161.05968	0.9
161.09627	3.6
161.13225	7.9
163.11182	6.2
165.12741	5.2
171.11655	7.5
174.10429	3.2
175.03831	1.8
189.07353	0.9
189.12721	25.2
207.06526	3.0
207.13785	56.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1377
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
51.02377	1.2
53.03944	6.0
55.01853	1.5
55.05510	6.5
65.03923	2.4
67.05496	22.6
69.07053	5.1
70.00658	6.2
71.04974	2.2
79.05483	43.7
81.07047	19.3
83.04974	2.7
83.08613	1.7
85.06524	1.3
91.05470	54.7
93.07034	100.0
94.07400	1.2
95.04963	13.4
95.08604	6.2
97.06509	1.5
98.20686	1.1
105.04496	3.7
105.07017	25.4
107.08570	8.1
109.06499	4.1
117.07001	5.0
119.08577	14.7
121.10159	1.9
123.08029	3.6
129.06981	7.9
131.08559	1.2
133.06522	1.4
133.10136	4.9
141.63881	0.9
143.08533	6.4
145.10092	8.6
147.08073	1.5
147.11668	53.9
148.12019	1.4
161.09579	3.2
161.13226	5.3
163.11279	1.1
171.11673	18.3
189.11208	1.2
189.12717	10.4
207.13774	15.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1378
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
50.15055	0.8
53.03939	6.1
55.01846	1.3
55.05510	8.6
65.03933	2.2
67.05499	29.0
69.07065	7.1
70.88141	2.2
71.04974	2.1
73.06560	1.2
77.03925	1.4
79.05489	51.8
81.03397	1.9
81.07050	26.9
83.04958	2.8
83.08608	2.7
84.08128	1.0
85.06516	3.2
91.05476	53.8
93.07038	100.0
94.07351	1.4
95.04958	20.0
95.08595	8.6
97.06500	0.9
103.05441	1.3
105.04492	3.1
105.07024	28.3
107.04923	1.0
107.08588	10.5
109.06515	5.3
109.10122	1.4
115.05452	1.2
115.96442	1.5
117.06998	5.6
119.08568	17.8
120.08047	1.9
121.06474	3.0
121.10128	2.3
123.08092	4.1
127.02677	0.9
127.07504	1.1
128.06163	1.1
129.06999	10.1
131.08582	1.4
133.06497	1.5
133.10132	5.1
135.11636	0.8
137.09564	0.8
143.08540	6.7
145.10110	8.5
147.08018	1.9
147.11676	56.3
156.09341	1.1
161.09593	5.6
161.13275	7.1
165.09160	1.2
171.11702	19.9
189.12744	11.5
207.06532	2.0
207.13803	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	207.1126
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83947	1.4
55.01859	3.7
55.05488	2.5
56.05013	2.0
56.96554	3.6
57.03437	1.6
57.07058	3.8
60.04495	2.2
64.18024	1.6
65.03914	3.7
67.05499	7.7
68.05020	2.3
69.03407	5.1
69.07050	3.9
69.60275	1.4
69.60601	13.3
70.06577	10.0
73.02883	2.0
74.02436	23.8
74.06095	1.5
74.89178	1.7
77.64089	1.3
79.05479	11.5
80.04977	4.5
81.03396	4.3
81.07063	7.3
83.04962	2.5
84.04502	2.2
84.08159	9.2
85.02895	7.1
85.06523	2.8
86.09672	3.0
91.05460	25.0
92.06286	2.1
93.07026	9.7
94.06586	9.4
95.04940	5.6
95.06087	2.1
95.08582	8.1
97.02869	1.9
98.97529	2.0
103.05456	13.8
105.07015	22.4
106.06540	8.5
107.04919	5.2
107.08587	3.2
109.02864	3.0
109.06491	6.5
109.07635	1.9
109.10139	2.1
110.07115	2.4
111.04422	1.7
115.05436	6.5
116.06226	2.6
117.05744	4.9
117.07010	9.7
118.04092	1.9
118.06529	25.8
119.01774	1.8
119.04922	17.0
119.07326	9.3
119.08539	6.8
120.05383	1.8
120.08088	54.0
121.06495	5.7
121.07472	1.6
121.10123	3.1
123.04420	3.2
123.08041	6.9
123.11711	2.0
125.07092	2.2
128.06203	3.6
129.06998	6.1
130.06511	3.5
130.08589	1.5
131.04906	2.9
131.07294	6.1
132.08055	12.8
133.02843	1.8
133.06599	2.6
133.07686	3.2
133.08867	94.0
133.09996	3.1
134.05971	6.9
134.09674	16.5
135.04417	1.9
135.08080	3.0
135.09146	2.1
136.07582	3.7
137.05981	4.8
137.09625	2.0
143.07289	2.0
143.08504	3.7
144.04437	2.6
144.08069	42.9
145.06454	6.3
146.05991	5.3
146.08447	1.7
146.09625	31.7
147.04393	19.5
147.08101	2.8
147.11629	7.5
148.07524	10.3
148.08641	3.4
149.05988	2.0
149.09596	6.5
151.03893	1.9
151.07510	5.1
159.09140	5.5
160.07518	2.1
161.06017	9.5
161.07024	9.8
161.10745	100.0
161.13176	3.5
162.05453	2.3
162.07773	2.3
162.09120	41.5
162.11137	2.0
163.03961	1.9
163.11145	1.8
164.07010	3.0
165.05501	3.0
165.12680	2.0
171.11752	2.7
172.07555	2.8
175.03877	9.6
179.07002	5.0
179.08495	1.7
189.05479	5.6
189.10214	2.9
189.12769	3.5
189.16397	2.8
190.04944	2.2
190.08572	12.4
192.04137	4.1
207.02872	2.6
207.06447	18.0
207.08139	2.4
207.11275	72.5
207.13776	7.4
207.17395	6.3
208.09663	6.0
208.11502	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.065
Annotation	5,7-Dimethoxychromone
Peak:m/z	Relative Intensity
53.03963	1.1
55.01863	1.8
55.05502	1.2
57.03414	1.0
64.03149	0.7
65.03925	8.4
67.05495	1.4
69.03429	1.1
70.06586	0.6
70.34827	0.7
70.73252	2.4
72.08143	0.7
74.01614	0.6
76.03160	1.5
77.03913	2.3
79.05479	3.5
80.06265	1.4
81.03416	1.1
81.07051	1.9
84.08094	1.0
84.17648	0.6
85.02910	0.8
89.03899	6.0
90.04693	1.4
90.96422	0.6
91.05469	100.0
92.05820	1.3
92.73612	0.6
93.03389	1.3
93.07034	2.1
95.04966	2.8
95.08598	1.9
103.05459	2.9
104.02552	0.9
105.03387	2.2
105.07006	4.6
107.04951	3.4
107.08576	2.8
108.05764	1.7
109.06494	2.4
117.03401	1.0
117.07033	1.1
118.04134	9.6
119.04929	89.5
119.08563	4.7
120.05247	1.9
121.02853	3.1
121.10146	1.9
122.03635	1.1
123.04411	1.1
123.08054	2.6
129.03329	2.0
129.04497	1.6
130.04120	0.8
130.14047	0.7
131.04895	1.2
131.08521	1.0
132.02052	8.6
133.02849	1.1
133.06450	1.5
133.10095	1.8
134.03609	0.8
134.05983	2.5
135.04387	4.3
136.05177	2.9
137.09581	0.8
143.03340	0.8
145.02814	2.3
146.03600	3.7
147.04388	75.6
147.07980	1.9
147.11626	2.7
148.04836	1.1
149.02306	12.9
149.09573	2.5
150.03093	1.5
151.03854	0.9
151.07515	1.8
157.03944	5.1
161.05952	1.0
161.09560	1.3
161.13220	2.6
161.35687	0.7
162.03056	0.9
162.05482	4.1
163.03871	2.0
163.11122	0.8
164.03406	0.8
164.04677	7.0
165.05374	0.7
165.12776	1.1
171.11647	1.0
173.02313	0.6
174.03094	2.6
175.03883	85.5
176.04311	2.3
177.01799	4.1
179.07004	8.0
180.06480	2.8
189.09081	1.0
189.12714	3.0
191.03381	1.0
192.04147	33.1
193.04556	0.9
207.06456	50.7
207.13716	4.9
208.06000	8.5
208.09480	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.065
Annotation	2-Hydroxy-8-methylchromene-2-carboxylate
Peak:m/z	Relative Intensity
51.02377	1.3
51.26180	0.8
53.03936	1.8
55.01847	3.6
55.05497	3.6
57.07060	1.8
59.04990	1.0
63.02335	1.2
65.03928	8.4
67.05494	7.5
69.03433	5.1
69.07047	2.6
69.19736	1.0
70.06581	2.1
71.04987	2.2
71.40348	1.1
71.40694	1.7
72.30486	0.8
77.03902	2.4
79.05493	7.3
80.06259	1.0
81.03400	3.1
81.07053	7.6
83.04964	2.6
84.08153	2.3
85.02888	3.6
85.06512	1.5
86.98971	0.9
89.03916	5.4
90.04676	1.1
91.05470	100.0
92.05791	2.4
92.58902	0.8
93.03385	1.8
93.07043	8.0
95.04955	5.7
95.08598	8.3
97.06507	1.4
103.05463	6.2
105.03394	1.3
105.07020	16.5
107.04927	6.0
107.08570	5.2
108.05708	3.1
109.06522	7.5
109.10123	4.6
110.07155	1.8
110.45467	0.9
111.04445	1.8
111.08038	1.3
113.06028	1.0
115.05421	2.3
115.96342	1.1
116.98635	1.1
117.06972	2.8
118.04147	10.6
118.06588	0.9
119.04931	91.2
119.08555	13.6
120.05225	1.6
120.08109	9.0
121.02842	5.3
121.06494	5.0
121.08404	7.8
121.10130	5.9
122.03608	1.8
122.07253	1.3
123.04389	1.4
123.08067	7.4
123.11663	2.6
125.06014	0.9
128.06166	2.2
129.03409	2.0
129.06964	3.0
131.04919	3.0
131.08537	2.2
132.02040	7.5
133.02888	1.1
133.06493	4.5
133.10100	7.7
134.03659	1.1
134.06024	1.0
135.04393	6.6
135.08049	2.1
135.11649	1.1
136.05217	5.0
136.08632	0.9
137.05965	2.7
137.09601	12.4
139.07539	1.0
141.11441	0.9
143.08553	2.4
145.02844	1.6
145.06404	1.7
145.10109	2.6
146.03604	6.1
146.07153	1.8
147.04393	72.7
147.08044	6.4
147.11662	10.6
148.05095	2.5
149.01216	1.6
149.02324	15.6
149.05949	2.4
149.09601	8.6
151.07504	6.5
156.09335	1.8
157.03960	6.5
161.05957	21.6
161.09593	9.8
161.13264	5.9
161.97296	0.9
162.03137	1.9
163.03847	3.4
163.11224	1.7
164.04669	11.7
165.05502	1.5
165.09012	1.5
165.12743	1.4
171.11676	1.8
174.03090	3.8
174.06761	1.1
175.03889	68.3
176.04285	1.2
177.01816	3.3
177.12697	1.1
178.02342	0.8
179.07024	15.2
189.05389	2.8
189.07378	2.0
189.08990	6.2
189.12720	6.2
192.04155	34.1
192.14662	1.0
193.04443	1.0
207.03043	2.3
207.06502	63.6
207.07919	2.4
207.09984	3.5
207.13777	13.8
207.17409	3.2
208.06847	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.081
Annotation	5-Methoxyindoleacetate
Peak:m/z	Relative Intensity
50.27210	0.2
53.03938	0.4
61.41069	0.2
61.50394	0.2
68.99778	0.4
69.48302	0.5
69.48729	1.6
69.94733	0.2
70.02954	1.2
71.65113	0.2
75.90217	0.2
82.92863	0.2
87.00813	2.4
91.05470	3.0
93.07038	2.4
95.04965	0.4
103.05459	15.3
104.05019	0.4
117.38374	0.2
118.06532	17.2
119.00381	0.2
120.08093	100.0
121.08421	1.4
128.04971	1.8
139.88687	0.2
146.05995	13.3
147.06340	0.3
160.07573	0.4
188.07060	9.5
206.08113	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	206.165
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.1
54.03468	4.0
55.02754	0.7
55.02990	8.7
55.05506	9.2
56.05014	2.3
57.07063	2.6
65.03902	0.5
67.05485	2.7
68.03747	0.9
68.04751	0.4
68.05024	5.4
69.04528	1.4
69.06687	0.8
69.07061	16.0
70.06584	64.6
71.23770	0.7
71.24110	0.9
79.05477	0.7
80.04999	1.0
81.03386	2.1
81.05803	0.6
81.07037	0.7
82.06551	1.4
83.08600	3.3
91.05454	4.0
93.07047	3.0
94.04031	1.6
95.04961	1.4
95.06079	20.9
95.07324	0.7
95.08591	0.5
97.07640	30.8
97.72357	0.5
105.07034	0.7
109.07628	4.3
110.09675	2.0
113.20339	0.6
115.96449	0.7
119.91927	0.5
120.08076	0.9
149.02357	0.9
150.02660	2.0
152.86484	0.5
178.08560	1.1
179.15430	1.1
191.05711	0.8
191.14368	0.8
201.00648	0.6
206.08127	2.1
206.12169	1.8
206.16508	100.0
207.06607	0.7
207.13802	1.3
207.16815	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	206.1651
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.6
54.03477	2.4
55.02754	0.7
55.02993	8.5
55.05507	8.5
56.05020	2.1
57.07067	2.8
67.05503	2.5
68.03754	0.6
68.05016	5.8
69.04561	0.9
69.07063	12.8
69.27397	0.4
69.63537	1.1
69.63947	3.4
70.06586	58.2
79.05487	0.5
80.05008	0.6
81.03394	1.7
81.07027	0.6
82.06564	1.4
83.08614	3.5
91.05474	3.1
93.07043	2.7
94.04005	1.0
95.05006	0.9
95.06084	19.2
95.07321	1.0
97.02901	0.6
97.07645	23.6
98.21450	1.0
107.04955	0.5
109.07638	2.8
109.10168	0.5
110.09649	1.8
115.96367	0.5
120.08077	0.8
122.05964	0.4
126.05518	0.5
133.97493	0.6
137.05939	0.7
137.10780	0.6
146.05962	0.6
149.02374	0.6
150.02646	1.3
161.05833	0.6
178.08620	1.4
179.15413	1.6
191.14249	0.9
206.04518	0.9
206.08086	1.6
206.09990	3.9
206.16512	100.0
207.16861	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	206.0447
Annotation	6-Hydroxykynurenate
Peak:m/z	Relative Intensity
53.03939	0.2
53.15516	0.1
55.01873	0.2
55.05508	0.3
56.05038	0.2
56.96563	0.4
57.03423	0.3
57.07071	0.3
58.07420	0.2
58.99583	0.1
60.04517	0.6
60.29343	0.1
65.03928	0.2
67.05503	0.2
68.05005	0.3
69.07060	0.3
70.06585	0.4
71.04984	0.1
71.19031	0.3
72.08145	0.7
73.02907	0.2
73.08504	0.2
76.03996	0.2
79.05482	0.2
80.94913	0.2
81.03414	0.4
81.07028	0.3
83.06104	0.2
84.04500	0.2
84.08140	0.5
85.02894	0.6
85.06563	0.2
86.06057	0.2
86.09692	0.3
91.05476	0.9
93.07021	0.2
95.04945	0.4
95.08598	0.1
97.02880	0.4
98.09661	0.7
99.02680	0.2
99.04458	0.2
104.04989	0.7
105.03400	0.5
105.07018	0.3
106.06539	0.2
107.04882	0.2
109.02838	0.2
109.07668	0.1
110.06042	0.4
111.09196	0.2
116.05251	0.2
117.03775	0.3
117.38976	0.1
118.06526	0.4
119.04948	0.5
124.07546	0.2
132.04442	22.3
133.04816	0.4
134.06049	0.2
134.09599	0.2
136.03946	0.1
137.05981	0.1
142.06859	0.3
144.10185	1.4
146.06001	0.6
147.04414	0.6
148.08746	0.2
149.02341	0.5
150.02676	0.8
150.05525	0.9
151.07619	0.2
160.03964	0.5
160.07558	0.2
161.05907	0.2
175.03917	0.3
178.04980	100.0
179.05359	2.6
180.05202	0.2
183.97498	0.1
188.07117	0.2
188.09079	0.2
189.05424	0.2
189.11353	0.3
191.14304	0.6
192.04276	0.2
193.10837	0.2
194.55820	0.4
201.00717	0.5
201.06544	0.2
206.04475	48.9
206.11726	1.1
207.04776	1.4
207.06575	0.6
207.11411	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.0447
Annotation	6-Hydroxykynurenate
Peak:m/z	Relative Intensity
54.66997	0.4
55.01865	0.6
55.05509	0.7
56.05029	0.4
56.96555	0.7
57.07071	0.8
60.04523	0.8
65.03944	0.6
67.05505	1.1
68.03574	0.4
68.05047	0.6
69.03411	0.5
69.07056	0.6
70.06602	0.6
71.04988	0.4
71.30768	0.6
72.08152	0.6
77.03960	0.4
79.05463	0.6
80.05009	0.5
81.03396	0.5
81.07041	0.5
83.06090	0.9
84.04507	0.5
84.08131	0.8
85.02909	0.6
91.05463	3.2
93.07001	0.6
95.04966	1.3
95.06070	0.6
95.08586	0.5
96.04464	0.4
97.02876	0.7
97.07661	0.5
98.06078	0.4
104.04990	4.9
105.03381	0.8
105.07021	1.2
107.04937	0.8
107.08606	0.6
109.07668	0.6
111.04404	0.4
111.09196	0.6
117.05770	0.5
118.06516	1.0
119.04955	2.2
119.08543	0.7
120.08070	0.5
121.02893	0.5
121.06409	0.4
122.05989	0.6
122.07120	0.5
123.04487	0.4
130.08641	0.9
132.04440	27.6
133.02916	0.6
133.04742	0.6
133.06526	0.7
134.06012	0.5
137.05963	0.5
144.04404	2.0
145.06332	0.4
146.03525	0.4
146.05997	1.6
147.04427	1.9
147.06357	0.4
147.86169	0.4
148.08640	0.5
149.02321	1.7
150.02670	2.8
150.05450	1.7
150.10248	0.6
160.03925	3.3
160.07585	1.2
161.05966	1.0
161.09494	0.4
162.05502	2.2
175.03934	1.9
178.04979	100.0
179.05354	2.3
179.06822	0.5
188.07066	1.3
189.07393	0.6
189.11230	0.8
191.14333	1.6
201.06555	0.4
203.38739	0.5
206.04468	60.1
206.08148	2.8
206.11676	2.4
206.13754	0.6
206.18935	0.7
207.04742	1.7
207.06409	1.8
208.60933	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.0258
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	1.6
55.01860	4.1
55.05509	1.5
56.05035	2.9
56.96560	35.0
56.96842	1.7
57.03430	10.4
58.06585	3.7
59.04997	14.4
60.04505	2.5
61.02913	8.9
67.02831	1.2
67.05505	1.3
68.05004	1.8
68.99786	2.5
69.03426	14.0
70.06588	1.6
70.40962	5.8
70.84493	1.4
71.04996	1.5
72.08140	3.1
73.02909	20.1
73.08487	1.9
74.06081	3.2
77.00771	1.2
80.05014	2.6
81.03421	6.1
82.06591	1.7
83.00778	4.2
83.04971	2.3
83.06900	2.2
84.04499	8.6
84.08113	1.7
84.96025	3.5
85.02896	19.1
86.06071	1.8
86.09691	1.7
87.04457	1.4
89.00752	6.5
90.01548	5.2
92.01289	7.5
95.00754	3.2
95.01304	1.6
96.01546	5.5
96.04507	1.7
96.08121	5.4
97.00517	2.2
97.02885	11.4
98.01285	12.2
98.03310	1.3
98.06068	2.2
98.97571	41.4
98.98222	2.1
99.04440	2.8
101.00764	4.4
101.05996	1.8
102.05496	1.9
104.01283	7.4
105.02043	2.4
107.01814	8.4
108.04487	2.9
109.02875	1.8
109.52070	1.3
110.01270	21.6
110.06026	2.2
110.51416	1.3
110.97581	5.4
111.04465	1.7
113.02354	4.8
115.00684	2.9
116.98608	27.2
118.06541	1.5
119.01789	56.5
119.51981	3.5
121.52071	2.1
122.05991	1.6
123.00240	1.6
124.07568	2.7
125.01734	6.9
127.03897	6.7
128.02306	100.0
128.52484	7.1
128.98602	8.7
129.00217	2.8
129.07423	1.3
130.52580	3.1
131.00182	1.4
131.01816	3.5
132.04478	1.5
133.01733	1.7
134.99580	8.0
137.02832	39.4
137.53084	1.3
138.00740	8.4
139.03296	1.4
139.53088	10.2
140.02304	3.6
140.98543	2.0
142.08636	3.8
142.10579	2.5
143.00111	4.1
143.07051	1.3
144.00717	4.8
144.98143	1.8
145.01674	1.4
145.04936	1.7
146.70020	1.3
146.98099	1.3
146.98459	1.4
146.99654	12.2
148.53647	2.9
150.02753	2.5
150.96861	1.4
153.01282	9.6
157.01682	1.9
158.99655	5.9
160.05998	1.9
160.09659	2.8
161.01157	7.6
161.02823	5.0
162.01772	7.2
162.99173	1.6
164.52119	1.4
165.01057	2.6
167.00980	1.3
170.01312	1.4
170.08109	4.5
170.99599	4.0
174.01788	27.5
174.11244	6.4
174.51967	2.0
175.02756	1.5
176.01530	3.2
177.00694	9.2
182.99620	1.9
183.02289	11.6
183.52524	2.2
185.52629	3.5
188.09184	3.7
189.00673	7.0
191.14352	2.0
194.53101	2.9
197.22874	1.2
201.00668	5.9
202.98692	2.7
205.00194	2.4
206.02605	1.9
206.08177	3.8
206.10223	4.4
206.11993	1.4
206.13879	3.0
219.01717	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	205.195
Annotation	(+)-Theonellin
Peak:m/z	Relative Intensity
53.03933	1.2
55.01849	0.5
55.05500	5.2
57.07069	11.4
65.03928	7.1
67.05490	5.7
69.03400	1.1
69.07063	8.7
69.68402	4.1
71.08624	0.8
79.05484	7.5
81.03397	1.1
81.07047	29.3
81.87053	0.4
83.08606	2.8
84.04491	0.6
84.23456	0.5
85.02901	1.3
85.04826	0.8
85.78798	0.5
89.73680	0.5
91.05471	5.0
93.03394	2.2
93.07035	27.4
95.04961	1.7
95.07997	0.9
95.08595	13.6
97.02891	2.1
97.04778	0.5
97.10139	2.5
99.04424	0.9
103.05527	0.5
105.07002	4.4
107.04955	0.5
107.08582	17.2
109.02874	1.3
109.06505	0.5
109.10142	11.8
111.04423	1.7
111.11693	1.4
117.07027	1.6
119.08559	1.5
121.02849	13.7
121.03938	2.4
121.06516	1.5
121.10131	54.9
122.10472	1.4
123.08073	0.5
123.11684	5.4
127.05865	0.9
131.04865	0.5
131.08545	1.9
133.10048	0.7
135.08028	1.6
135.11676	9.3
136.12080	0.5
145.10072	1.5
149.02324	100.0
149.13240	21.0
149.14462	0.8
150.02666	3.0
159.08051	0.6
159.11647	1.5
160.37386	0.5
163.11197	0.7
163.14833	2.2
167.03412	2.0
177.09071	1.3
178.08562	0.7
187.07602	0.9
187.11110	1.2
187.14796	0.7
190.04947	1.3
191.14319	4.7
205.04898	0.9
205.08707	3.1
205.10686	0.5
205.12238	2.3
205.14107	1.9
205.15910	1.4
205.19493	10.1
206.08031	1.2
206.11847	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.195
Annotation	(-)-alpha-Chamipinene
Peak:m/z	Relative Intensity
53.03925	5.0
55.01855	3.2
55.05506	24.8
57.07071	24.0
60.04499	5.3
61.02924	2.0
65.03925	7.5
67.05496	24.6
68.05034	2.0
69.03414	4.0
69.07063	38.9
69.15714	1.8
69.82406	11.6
71.08630	3.2
72.08131	4.7
79.05494	23.9
80.04939	2.4
81.03403	6.3
81.07049	58.8
83.08615	15.6
84.04490	3.5
85.02902	5.1
85.04831	5.0
89.85394	1.7
91.05474	22.9
93.07038	71.8
94.07349	2.2
95.04963	19.8
95.08006	3.9
95.08601	70.9
96.09000	1.9
97.02905	13.1
97.10172	11.7
98.03227	2.2
103.05474	2.2
104.75857	2.0
105.07030	19.5
107.04942	5.9
107.08588	73.3
108.07990	1.5
108.08942	1.7
109.02847	5.4
109.06516	3.8
109.10152	54.3
111.04417	3.0
111.11732	3.2
116.05426	1.5
117.06976	9.2
119.08595	10.0
121.02859	12.7
121.03912	2.1
121.06501	12.6
121.09265	3.7
121.10137	70.6
123.07994	3.6
123.11694	28.0
126.05506	2.3
127.05856	4.9
128.06219	2.7
129.06976	2.8
130.07796	3.0
131.04892	3.5
131.08556	11.4
133.10124	5.6
135.08057	4.9
135.11685	56.9
137.13245	3.6
141.06958	2.3
143.08528	2.0
145.06464	5.5
145.10124	17.9
147.08040	8.0
147.11725	4.5
149.02330	100.0
149.05948	2.4
149.09616	3.4
149.13243	76.2
150.02713	3.7
159.11658	9.9
160.07468	1.8
161.09625	5.7
161.13208	2.2
163.07599	2.1
163.11156	10.5
163.14827	13.4
167.03409	2.4
169.10098	1.9
177.12721	5.3
178.08643	2.2
187.11156	10.7
187.14787	4.2
205.04933	5.6
205.08806	3.9
205.12335	23.0
205.14142	8.0
205.15886	19.3
205.19504	55.8
206.08104	4.5
206.12550	1.8
206.19835	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.195
Annotation	(+)-Theonellin
Peak:m/z	Relative Intensity
53.03935	1.9
55.05254	1.0
55.05503	8.1
57.07071	12.4
60.04498	1.7
60.20845	0.8
61.96985	0.8
62.29414	0.7
65.03938	7.8
67.05499	9.4
69.03401	0.9
69.07065	13.9
71.04996	1.3
71.08621	1.0
71.72980	1.4
79.05489	12.9
81.03407	3.0
81.07052	38.5
83.08618	5.4
84.04500	0.9
85.02905	3.0
85.04840	2.0
91.05473	8.0
91.35695	0.9
93.03393	2.3
93.07039	41.5
95.04959	2.4
95.08606	21.3
96.04443	0.9
97.02885	5.6
97.10163	3.3
98.03223	1.0
99.04464	1.3
105.07020	5.5
107.04931	1.9
107.08582	28.2
108.08865	0.8
109.02817	2.0
109.06473	1.1
109.09418	1.2
109.10149	17.7
111.04442	1.4
111.11674	1.4
117.07023	2.2
119.08558	2.2
121.02866	14.3
121.03845	1.6
121.06529	2.2
121.10135	77.8
122.10445	1.0
123.11684	7.6
126.05416	1.2
127.03883	1.5
127.05857	2.3
128.06183	1.1
131.08572	2.7
133.10129	1.4
135.04523	0.9
135.08028	1.2
135.11685	16.1
137.13237	1.2
145.06525	2.5
145.10147	3.5
147.08034	1.5
149.02333	100.0
149.09593	1.1
149.13249	32.0
150.02666	3.7
159.11740	2.6
163.11179	1.8
163.14824	2.5
166.69974	0.9
167.03395	1.7
177.12764	1.9
177.16449	0.8
187.11205	2.3
190.05060	1.0
191.14195	1.1
205.05067	2.3
205.08798	2.4
205.12236	5.1
205.14178	4.0
205.15953	3.6
205.19501	15.4
206.08009	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1585
Annotation	Khusimone
Peak:m/z	Relative Intensity
53.03929	0.9
55.01867	0.9
55.05270	0.8
55.05507	7.8
56.96558	9.8
57.03412	1.2
57.07064	6.1
57.71647	0.7
60.04522	2.1
65.03918	3.1
67.05497	5.3
67.12379	0.7
69.03404	1.6
69.07064	4.5
69.41033	3.9
69.41463	4.7
71.04619	1.5
71.04984	24.6
71.08597	1.0
72.08138	3.0
79.05473	5.6
81.03395	1.5
81.06595	1.2
81.07047	12.4
83.04951	1.6
83.08617	3.8
85.02890	1.9
91.05466	8.4
92.46048	1.0
93.07040	14.6
95.04968	4.5
95.07996	1.4
95.08588	15.5
97.02868	4.3
97.06499	2.5
98.84252	0.7
99.04466	1.2
99.08086	1.6
103.02264	0.9
105.07018	37.3
106.07310	0.7
107.04913	0.9
107.08592	13.3
107.44741	0.7
109.02863	2.0
109.06495	3.2
109.10159	2.3
111.04462	1.1
111.08081	1.8
113.08908	1.4
113.09625	12.1
115.05422	1.6
117.07008	4.0
119.08566	13.1
121.02854	4.5
121.03996	1.4
121.06467	2.6
121.10134	8.1
123.08073	1.3
129.06953	1.3
130.07736	1.0
131.08556	19.4
133.10115	2.6
135.08018	2.6
135.11697	2.3
137.05380	1.0
139.23053	0.8
143.05396	1.8
143.08562	0.9
145.06477	1.7
145.08963	1.6
145.10104	28.3
147.11668	32.0
149.02327	37.1
149.05975	1.0
149.09596	3.0
152.05907	1.0
157.01698	0.8
159.11632	6.6
161.13232	5.7
163.11176	1.4
163.14786	4.6
165.56990	0.8
170.09558	2.1
170.25764	0.8
173.05902	1.4
175.02776	1.0
177.12727	3.2
184.09315	3.8
184.59467	1.2
187.07623	0.8
187.11188	2.5
187.14803	41.7
188.15170	1.2
193.09843	1.6
195.60110	1.4
205.04794	1.5
205.08757	2.3
205.12212	7.2
205.15860	100.0
206.16153	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.0969
Annotation	Unknow
Peak:m/z	Relative Intensity
55.11777	0.4
55.29607	0.4
56.96988	0.4
65.26585	0.4
71.43812	0.5
71.44146	0.5
74.02421	1.4
91.05452	1.0
115.05412	2.2
117.05739	0.8
117.06985	2.4
118.06527	30.8
119.06824	0.6
130.06541	3.0
130.38176	0.4
132.08072	9.5
142.06509	2.7
143.07280	3.6
143.72411	0.5
144.04469	0.6
144.08063	19.0
146.05986	100.0
147.06284	1.8
149.02312	1.7
155.06026	0.5
159.09158	9.7
160.07568	1.2
170.05984	7.1
188.07043	82.8
189.07413	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1222
Annotation	Plastoquinone-1
Peak:m/z	Relative Intensity
53.03936	6.4
55.01871	20.2
55.05519	9.9
56.96550	5.4
57.03436	3.8
57.07070	16.1
60.04510	5.2
65.03923	7.6
67.05503	41.7
68.05001	2.0
69.03433	10.9
69.07071	13.2
70.06541	1.5
71.01357	9.8
71.04980	3.7
71.67146	1.6
71.72869	2.1
72.08141	8.7
73.02908	1.7
79.05490	50.1
81.03432	8.8
81.07053	38.1
82.07422	1.7
83.04972	16.8
83.08606	5.9
84.04482	2.6
85.02899	6.5
85.04845	2.7
85.06510	1.9
91.04931	3.2
91.05477	50.6
93.07041	35.4
95.04964	47.3
95.08607	25.0
97.02890	9.8
97.06519	6.9
99.04432	2.5
99.08101	9.2
103.05447	7.5
105.07033	39.9
107.04950	95.9
107.08591	13.6
109.02867	9.3
109.06509	13.0
109.10134	2.7
111.04432	4.4
111.08047	6.9
113.11440	1.6
115.05416	4.9
117.07013	38.1
118.06507	1.9
119.04913	6.6
119.08582	12.2
121.02863	12.1
121.03849	2.3
121.06494	34.4
121.10146	9.6
122.07247	1.7
123.04426	14.9
123.08062	35.3
125.05990	4.4
127.03896	4.0
128.06206	4.7
129.07019	7.8
130.07756	3.9
131.04904	4.8
131.08554	29.8
131.97429	1.7
133.06499	9.3
133.10175	9.4
135.04422	2.1
135.08032	10.0
135.11681	25.7
137.09608	2.1
141.06976	18.8
142.70952	1.5
143.08578	8.5
144.05716	2.1
144.09288	2.9
145.06490	50.5
145.10133	31.4
146.07233	2.5
147.08051	4.3
147.11681	4.8
149.02336	100.0
149.09628	5.3
149.13254	5.0
150.02608	1.7
154.06432	2.1
154.07761	7.2
157.10109	2.4
159.08064	12.8
159.11688	43.5
161.09599	6.7
161.13174	3.2
163.07698	2.0
163.11125	7.8
167.03363	3.2
169.10133	30.6
173.06053	3.4
177.12737	12.5
181.97832	3.6
187.07576	2.8
187.11171	86.6
187.14789	3.7
188.11626	2.2
201.04323	2.1
205.04990	5.4
205.08635	8.8
205.12234	71.1
205.14136	10.1
205.15651	12.0
205.19249	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.097
Annotation	L-Tryptophan
Peak:m/z	Relative Intensity
57.23566	0.8
70.87542	1.3
70.87885	2.0
74.02425	1.9
76.15561	0.9
89.03890	1.0
91.05454	1.6
91.48060	0.9
96.88364	0.9
115.05462	2.7
117.05795	1.6
117.06968	2.2
118.06528	42.0
123.31113	1.0
130.02818	0.8
130.06517	3.3
132.08066	12.1
134.86491	0.9
140.18767	1.0
142.06458	4.8
142.45558	0.9
143.07295	5.8
144.08070	20.0
146.05991	99.4
147.06355	1.8
149.94196	0.9
159.09187	10.0
160.07574	1.9
163.05855	1.2
170.05983	7.2
188.07050	100.0
189.07408	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	205.0641
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.6
55.01876	1.2
56.05029	11.5
56.96563	5.4
57.03428	1.4
57.07066	6.2
57.98788	0.7
58.06606	1.0
58.99582	14.5
60.04521	9.4
61.02914	1.1
61.04846	2.8
63.92933	1.2
65.03928	3.4
67.05502	1.5
68.05023	4.0
69.03423	3.6
69.05373	0.9
69.05791	1.0
69.07066	1.1
70.02955	0.8
70.06586	2.2
71.04997	0.6
71.08151	1.1
71.08490	1.3
72.04524	0.6
72.08150	28.0
72.93784	2.1
73.01123	0.7
73.02926	1.5
73.06546	0.6
73.08496	0.5
74.02442	1.7
74.06071	1.6
75.02688	1.5
76.02222	5.7
76.04002	2.8
78.66006	0.6
78.95265	3.2
79.05486	1.2
81.03414	3.3
81.07056	1.1
81.93942	0.7
82.04181	1.3
83.04980	0.6
83.06119	0.7
84.04485	2.3
84.08141	2.7
85.01122	87.0
85.02879	3.8
85.06554	1.0
86.01448	1.3
86.09708	0.9
86.99056	4.2
87.02692	1.4
88.02197	1.7
90.94837	0.7
91.05473	2.8
93.03405	1.0
93.07012	1.8
95.04965	1.2
95.06076	0.7
95.08580	1.1
96.04459	0.9
97.02891	5.2
97.04828	0.9
98.03226	0.6
98.97566	3.2
99.04445	1.5
102.03759	100.0
102.05531	50.9
103.04111	1.5
105.07011	2.5
107.04937	1.4
107.08575	1.5
109.02869	1.9
110.07155	0.6
111.04432	0.9
112.03954	1.2
114.03827	0.6
116.01669	17.1
116.07065	0.9
116.96343	1.1
116.98607	2.2
117.07031	1.2
118.06541	1.0
119.08533	1.2
119.97856	3.1
120.08068	1.5
121.02847	5.7
121.04050	0.9
121.06487	1.8
121.10118	0.9
122.94217	1.6
123.04423	1.0
127.03866	1.0
127.05833	1.1
128.98665	0.7
130.06494	2.3
131.04919	1.5
131.06837	2.0
131.08559	2.1
132.04469	0.6
132.07190	0.8
132.53210	0.7
132.95844	1.0
133.02856	1.5
133.10034	0.8
134.06033	1.0
134.09628	4.5
134.97415	1.3
134.99612	1.7
135.04378	0.7
135.11623	0.8
138.98912	0.6
140.95253	0.9
142.03178	0.8
144.01126	2.5
145.06442	1.1
145.10103	2.1
146.06029	0.8
146.99643	1.0
147.04498	0.7
147.08034	0.8
149.02328	36.7
149.05878	1.4
150.02716	0.8
150.96849	1.8
157.07608	2.3
158.07950	0.8
158.96294	2.3
159.06314	1.8
159.08247	3.6
159.11659	2.2
160.07526	1.3
161.06032	0.8
162.02147	3.8
163.03920	1.0
163.07431	0.8
163.11150	0.8
163.96815	2.5
169.10046	0.6
177.05496	0.9
177.12674	1.3
178.04990	0.9
179.00052	1.8
181.97878	4.7
187.05769	0.7
187.07413	0.7
188.03764	8.8
188.07491	0.6
188.09248	1.3
200.72041	0.6
201.00711	0.8
205.04854	1.8
205.06395	13.5
205.08693	5.1
205.12003	2.8
205.14035	1.1
205.15880	1.7
205.19208	0.6
206.04517	0.8
206.08266	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	204.1052
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	7.4
55.05507	33.6
55.11858	1.1
56.05021	3.6
56.96530	1.1
57.07070	6.4
58.99580	69.0
60.04225	2.3
60.04521	41.1
61.01144	8.7
61.55894	1.1
62.00673	1.4
63.26960	0.9
63.77504	1.0
68.05026	4.5
69.03409	1.6
69.07067	3.0
70.06583	3.7
70.19682	0.9
72.08150	1.3
73.01131	17.2
74.00661	4.1
76.02225	19.9
79.05489	12.5
81.03415	1.1
81.07049	69.3
82.07391	1.1
83.08617	13.6
84.04495	8.9
84.08154	1.9
85.01115	4.1
85.02900	5.4
86.99044	36.3
87.02698	3.2
88.02217	5.0
88.03988	3.2
91.05472	2.6
93.07044	2.6
95.08608	1.9
96.04493	5.3
97.02885	8.3
98.09658	1.3
98.21461	2.5
99.02678	3.2
99.04436	1.2
100.11248	100.0
105.00074	19.0
105.07050	3.1
105.68560	1.2
107.08589	3.4
112.11217	3.6
113.04212	1.7
114.05515	4.5
115.05803	15.7
116.05289	9.5
117.07002	2.0
120.01164	2.5
120.08117	1.3
121.06514	3.6
124.11235	1.9
126.05499	9.8
131.08582	1.5
138.05501	2.1
141.07344	7.2
144.04448	1.3
144.06598	1.5
149.02319	6.2
150.76808	1.1
156.06686	1.1
158.09972	35.6
159.08162	1.6
159.11668	1.3
159.33730	1.1
168.06639	1.4
186.07513	1.4
187.07864	70.0
188.08502	1.1
188.10652	1.6
189.11409	1.8
204.06927	1.7
204.08669	8.2
204.10558	31.5
204.13718	12.0
205.12279	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	204.1342
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.6
53.84467	0.5
55.01867	2.9
55.05503	2.9
56.05020	3.4
56.96298	1.1
56.96559	14.4
57.03430	9.2
57.04547	3.1
57.07062	1.7
58.06581	3.7
59.04995	1.3
60.04517	93.6
61.01152	0.6
61.02923	6.9
63.92934	1.5
65.03925	1.3
65.73580	0.7
66.96662	0.6
67.05495	2.2
68.05019	10.6
69.03419	10.1
69.07050	2.3
70.02952	0.7
70.06585	14.2
70.07376	0.9
71.01331	1.7
71.04984	34.8
71.06104	21.3
71.06918	2.7
71.43638	1.0
72.04517	2.0
72.05331	0.8
72.08144	17.0
72.08548	0.9
72.93784	1.5
73.02908	8.9
73.08470	0.9
74.06068	2.2
77.00900	1.2
78.95279	3.8
79.05494	1.3
80.05024	0.7
81.03419	6.0
81.04543	0.6
81.07045	2.0
82.06572	2.3
83.01340	1.4
83.04963	2.4
83.06095	1.2
84.04494	15.6
84.08132	27.1
84.96020	0.9
85.01142	3.2
85.02897	19.4
85.08467	1.8
86.03236	0.7
86.06061	1.5
86.09689	15.0
87.04478	1.2
87.09485	1.1
87.10023	12.9
88.03978	2.9
88.07626	2.8
88.08738	4.2
90.05536	0.9
90.94833	0.7
91.03912	0.8
91.05470	1.8
93.07030	0.7
94.02922	1.1
94.06594	1.1
95.01952	0.7
95.04939	1.8
95.08571	1.0
96.04478	20.6
97.02879	27.8
98.06051	4.2
98.09686	0.9
98.20937	0.6
98.97575	4.8
99.04440	7.8
100.02499	1.6
100.03931	1.0
100.07598	1.6
101.00876	1.1
101.02419	1.0
102.00945	0.9
102.02362	1.0
102.03722	4.1
102.05531	2.8
103.05441	1.9
105.04491	0.6
105.07056	1.0
106.06539	1.0
107.04950	2.6
107.08530	0.7
108.04493	0.7
108.08054	0.7
109.02883	3.7
109.06456	0.6
110.06027	6.6
110.07150	2.9
111.02920	1.2
111.04410	1.0
111.05555	0.7
112.07568	1.4
112.11226	6.6
113.10843	1.0
113.11557	9.0
114.05510	19.6
114.09143	1.2
115.02432	0.9
115.03919	1.2
115.05422	1.2
116.07065	7.6
116.98615	5.7
117.05492	5.4
117.07411	0.7
118.03490	1.0
119.01888	10.0
119.08580	0.7
119.97873	5.3
120.01946	3.2
120.08127	1.4
120.08900	0.7
120.97949	0.7
121.01634	3.5
121.02888	1.4
121.06471	1.4
122.02003	0.8
122.06022	1.8
122.94193	2.0
123.04425	1.0
124.03941	0.8
124.05059	1.2
125.02509	0.7
126.05500	17.1
126.09155	0.8
127.03905	4.3
128.02289	1.3
128.07025	1.2
128.98604	2.2
129.10237	4.6
129.13860	2.8
130.02913	0.7
130.06519	21.1
130.08627	6.1
130.14209	5.3
131.01880	8.5
131.04926	1.6
131.06859	3.2
132.03458	1.1
132.04404	3.9
132.08049	0.8
132.95795	0.8
133.01660	1.4
133.03398	2.3
133.09999	0.6
134.05997	8.7
134.08105	13.1
134.99652	4.3
135.03111	1.1
136.06152	1.7
136.07529	0.9
137.01192	0.9
137.02931	2.7
138.03058	1.8
138.05524	5.6
138.98895	1.0
139.02664	2.1
140.07028	2.4
140.95235	1.6
141.10208	2.7
142.03499	1.0
143.01883	1.6
144.03426	0.9
144.06563	3.4
144.10187	0.8
145.03471	1.9
145.04916	2.6
146.99666	3.5
147.03142	1.3
147.04375	2.0
147.11264	2.5
148.07562	1.9
149.01141	0.9
149.02171	10.4
149.05800	0.7
150.00775	1.0
150.05490	1.2
150.96877	1.8
153.00659	0.9
153.04031	1.1
154.03496	6.4
155.01872	1.8
156.06534	3.5
157.03442	2.2
157.98955	1.8
158.01302	0.9
158.03194	0.8
158.06000	24.1
158.07999	6.5
158.11868	2.3
158.12869	53.4
158.96304	3.9
158.99591	1.8
159.06616	1.9
159.13222	1.1
160.07547	2.0
160.09676	0.9
161.01224	1.2
161.02937	4.3
162.00645	0.9
162.03143	3.2
162.05455	7.9
162.07657	0.7
162.99049	0.9
163.02676	2.2
163.96863	4.0
164.05630	0.9
165.00710	1.2
165.04158	0.7
167.05614	1.6
168.06540	5.9
168.13799	1.1
170.99693	0.8
171.01372	0.7
172.04539	2.4
173.01512	0.8
173.02876	4.6
174.03053	0.8
175.02736	2.1
176.00024	1.3
176.04160	1.3
176.06985	3.3
177.00656	1.8
177.06035	0.8
180.01831	0.9
181.03473	0.8
181.97862	7.0
182.03114	0.8
183.05078	1.1
185.02919	1.8
186.05504	8.0
186.07550	3.4
186.12482	1.0
187.10817	1.0
187.14381	4.9
189.11435	1.9
193.00281	0.7
193.03569	0.7
199.04347	1.1
201.00636	1.0
203.04074	1.6
204.06566	8.3
204.08607	21.6
204.13431	100.0
204.17119	4.1
204.22771	0.9
204.99861	1.0
205.05037	1.1
205.13800	0.9
211.04568	1.3
221.05017	1.2
223.01146	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	204.0867
Annotation	N-(methoxyacetyl)-4-hydroxyproline
Peak:m/z	Relative Intensity
53.03926	2.7
55.01872	1.4
55.05494	1.6
56.05027	2.9
56.96558	2.6
57.03419	4.0
60.04521	77.8
61.02918	11.0
66.42444	1.2
68.05025	54.0
69.03416	9.4
69.07038	1.6
70.06572	3.7
71.01344	1.7
71.04977	5.5
71.38773	2.3
72.04519	6.9
73.02908	1.7
81.03397	5.8
81.03806	1.2
82.06570	2.1
83.04958	2.0
84.04501	43.1
84.08141	10.4
85.02899	18.0
86.09709	12.3
87.10029	12.0
87.61628	1.3
91.03954	2.0
95.95061	1.5
96.04485	100.0
97.02886	94.7
98.06047	10.2
99.04446	5.2
100.03945	3.9
109.02878	3.7
110.06036	23.7
110.06890	1.7
110.07108	1.8
111.74635	1.1
114.05519	77.1
115.03908	2.4
115.05881	1.3
122.06021	3.4
124.03928	5.0
126.05506	65.2
127.03880	5.5
127.05875	1.6
129.10226	2.0
130.06508	1.8
130.08618	1.6
131.06905	1.5
134.08105	1.3
138.05499	18.3
140.07079	2.4
144.06520	5.0
145.04918	3.7
149.02342	4.0
150.05505	3.4
156.06522	12.5
158.07921	3.9
158.11700	3.6
158.12910	4.3
162.07643	2.2
168.06567	25.4
186.06029	1.9
186.07579	11.0
204.06857	2.4
204.08655	68.4
204.13458	14.2
205.08879	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	204.0865
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84283	8.2
60.04512	26.7
61.02870	9.4
61.31767	11.0
68.05015	19.9
69.03407	12.1
70.93968	14.9
70.94370	26.6
71.87705	7.9
72.63882	8.6
78.56947	9.2
84.04504	86.4
85.02901	15.9
86.44041	7.9
96.04493	45.2
97.02881	36.1
98.06024	11.4
107.29730	9.2
114.05508	38.0
126.05487	100.0
133.45894	8.2
138.05527	11.2
144.06549	19.9
149.02393	12.5
163.09779	26.4
164.10553	13.1
168.06514	9.3
177.07758	10.7
186.07675	8.8
187.09737	14.0
199.76088	8.7
204.06921	12.1
204.08673	64.3
204.10782	10.7
204.12296	64.7
204.14044	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	204.0865
Annotation	Unknow
Peak:m/z	Relative Intensity
54.05088	10.4
60.04528	19.1
68.05010	31.8
70.69875	19.3
70.70213	24.4
84.04498	85.2
96.04475	67.2
97.02874	64.4
110.06014	15.6
114.05524	54.8
126.05486	100.0
144.06564	16.3
149.02325	19.8
163.60796	9.6
187.09766	14.5
204.08675	98.6
204.12320	23.6
204.14035	14.0
212.17976	10.4
212.93260	11.1
215.33632	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	204.0866
Annotation	N-(methoxyacetyl)-4-hydroxyproline
Peak:m/z	Relative Intensity
53.03931	2.8
54.03474	2.7
54.27660	2.3
55.16599	2.1
56.05012	8.2
57.03421	2.7
58.48305	2.2
60.04521	28.7
61.02921	11.3
67.02985	2.7
68.05027	41.6
69.03414	5.4
70.06577	3.3
71.01325	2.4
71.70077	3.2
72.04499	4.3
73.02879	3.0
74.77811	2.1
80.05013	5.3
81.03400	4.8
81.04531	6.0
83.06087	6.3
84.04500	81.0
85.02898	20.4
91.03926	4.5
93.04514	3.5
95.06051	10.8
96.04486	82.3
97.02884	88.6
97.07661	4.6
98.06022	9.2
99.04450	6.2
103.03978	3.2
107.06035	3.8
109.02895	4.4
109.07623	6.4
110.06026	14.6
110.07150	6.5
111.07915	4.4
113.29220	2.3
114.04750	4.4
114.05518	72.1
119.06049	3.8
120.05595	5.4
121.07626	5.4
122.05994	4.8
122.07139	13.6
123.07875	2.4
124.08717	9.2
126.05505	100.0
127.03870	8.4
127.05801	3.1
134.07115	4.3
135.06630	4.1
135.10164	2.2
136.08714	8.8
137.08159	2.8
137.13528	2.3
138.05540	14.2
138.06540	3.4
138.10191	2.2
144.05562	2.3
144.06522	11.2
145.04955	5.5
146.07104	3.0
148.08659	3.4
149.02277	8.8
149.08214	6.2
150.05539	2.9
150.08832	2.4
156.06529	3.9
160.08621	3.2
161.08215	5.2
162.07695	4.4
162.10239	7.0
163.09734	17.3
164.10606	9.0
164.56049	2.1
168.06557	13.1
177.11357	6.7
177.20679	2.2
186.07617	13.0
187.09805	7.5
189.11470	4.1
204.06677	4.2
204.08655	72.4
204.12178	31.6
204.14136	19.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	204.0654
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01612	0.1
55.01858	0.2
55.05517	0.2
56.05022	0.2
57.03428	0.2
57.07053	0.1
60.04517	19.1
61.02890	0.2
65.03934	0.2
67.05503	0.2
68.05022	1.0
69.03417	0.2
70.06575	0.1
71.04974	0.2
71.73825	0.1
71.75176	0.1
72.04494	0.2
72.08130	0.2
73.02905	0.2
74.02432	1.5
74.09754	0.1
74.23989	0.1
79.05478	0.3
80.04998	0.1
81.03418	0.3
83.01340	0.2
83.04964	0.3
83.06110	0.1
84.04499	1.2
84.08130	0.2
85.02888	1.5
86.09705	0.2
91.05463	1.9
92.04987	0.1
93.62826	0.1
94.02885	0.2
96.04484	1.6
97.02877	1.9
98.06042	0.4
99.04410	0.6
101.02379	0.2
103.05462	0.8
105.07028	0.3
106.06544	0.9
107.04955	0.3
109.02821	0.1
110.06033	0.6
111.04437	0.1
112.11238	0.2
113.11560	0.2
114.05511	1.5
115.05434	4.6
116.04971	0.2
116.06220	0.2
117.05737	2.3
117.07011	3.0
118.06525	48.3
120.08104	0.1
121.02841	0.1
122.06020	0.1
126.05505	1.5
127.03906	0.4
128.04968	0.3
128.06187	0.1
130.06514	6.2
131.04939	0.6
131.06728	0.6
131.08453	0.1
132.08072	12.3
133.05257	0.2
133.06448	0.4
134.05997	7.8
135.06331	0.2
138.05457	0.4
140.04959	0.2
142.06508	5.1
143.07288	6.9
143.39073	0.1
144.04468	0.8
144.08066	22.6
145.04976	0.4
145.06441	0.6
146.05986	100.0
148.07556	0.2
149.02324	1.3
155.05951	0.5
156.06526	0.2
157.07555	0.2
158.06013	2.2
158.07959	1.5
159.07002	1.5
159.09157	10.2
160.03908	0.2
160.07556	4.7
162.05479	11.4
163.03894	0.2
163.05823	0.4
168.06531	0.5
170.05992	8.5
176.07088	0.6
176.34566	0.1
186.05479	2.1
186.07573	0.3
187.05919	0.1
188.07042	81.1
189.11438	0.3
204.06534	3.7
204.08594	3.1
204.10278	0.2
204.13760	1.3
205.09740	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.139
Annotation	H-Ala-Ile-OH
Peak:m/z	Relative Intensity
53.03940	0.9
55.01856	1.8
55.05502	2.7
56.05028	2.3
56.96569	4.4
57.03426	2.3
57.07073	1.1
58.06595	4.0
59.04989	1.0
60.04522	29.5
61.02910	2.5
67.05486	2.4
68.05022	4.6
69.03420	3.9
69.07057	1.4
70.06587	5.0
71.04990	1.4
71.07249	1.6
71.07588	0.8
72.04495	1.3
72.08147	10.6
72.93780	0.8
73.02915	2.4
74.06091	0.8
79.05473	1.7
81.03420	2.0
81.07052	2.6
83.01357	1.1
83.04974	1.0
84.04497	6.8
84.08137	15.1
85.02901	6.7
85.65751	0.7
86.06055	1.2
86.09698	100.0
87.00836	1.6
87.04452	1.6
87.10031	0.8
91.05481	3.1
93.07037	1.6
95.04973	0.9
95.08607	1.6
96.04491	8.5
97.02877	10.7
97.06494	1.0
98.06059	2.6
98.09670	1.3
98.97586	2.5
99.04442	2.6
99.06409	0.9
100.03999	0.8
102.05573	0.9
103.05447	0.7
105.07014	4.2
107.08622	1.6
108.08759	0.6
109.02872	1.7
109.07670	0.7
109.10128	1.1
110.06040	1.9
110.07167	1.3
111.04449	0.7
112.11234	30.8
114.05524	8.0
115.05430	1.5
116.07111	1.3
116.98599	2.1
117.05476	0.9
117.06966	1.0
119.01881	2.4
119.08574	2.9
120.08074	1.3
121.02804	0.6
121.10157	1.2
122.05986	0.8
124.07555	0.6
126.05501	7.0
127.03898	2.1
128.06207	1.3
129.05421	1.0
129.06993	3.0
129.13867	19.2
129.14798	1.2
130.06549	2.4
130.08597	1.0
131.08574	2.1
132.04495	0.9
132.05624	0.7
132.10191	68.8
133.10085	3.4
134.99634	1.1
138.05524	1.6
139.07407	0.8
140.07037	1.3
141.06943	0.8
141.11009	0.8
142.07799	2.4
143.01886	0.9
143.08540	1.7
144.06549	1.8
145.04951	1.4
145.10118	1.7
146.99567	0.8
147.04416	2.8
147.08075	2.2
147.11708	2.0
157.06490	2.1
157.07602	1.2
157.10095	3.1
157.13351	7.5
158.05986	0.9
158.08130	1.9
159.12099	4.3
160.05199	1.0
161.01236	1.1
161.02969	2.4
161.05931	1.4
161.09634	1.4
161.13240	0.8
162.05481	1.6
168.06563	1.8
173.02971	1.0
175.03979	0.7
175.05879	1.8
175.07541	2.7
175.11240	1.2
175.14754	0.8
177.00780	1.4
178.05055	1.0
185.09686	1.6
185.13211	1.6
186.05693	1.2
191.03949	0.9
203.03424	2.4
203.05228	2.9
203.07045	3.5
203.10692	4.9
203.14195	8.1
203.18002	2.5
203.22397	2.0
204.06593	1.9
204.08701	7.9
204.13867	2.6
206.04517	0.8
221.05145	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.0524
Annotation	Unknow
Peak:m/z	Relative Intensity
60.04501	3.5
61.59878	2.0
63.90422	2.0
66.27538	1.8
67.03401	1.9
69.88125	10.1
70.06214	2.3
70.06585	37.7
71.06114	10.8
72.08137	3.2
77.01737	2.0
84.04497	2.0
88.08733	10.5
91.99545	2.0
94.93001	6.9
96.04486	2.6
97.02886	3.9
114.05536	3.5
115.08720	2.3
116.07072	16.9
118.98563	2.0
119.01899	5.0
126.05529	3.8
133.09714	4.1
143.01904	2.2
158.12895	6.7
161.02936	7.7
172.10754	4.2
202.89061	5.7
203.05244	100.0
203.15018	16.4
213.07506	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.139
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55656	0.3
53.03917	0.4
55.01868	1.6
55.05496	1.2
56.05025	1.2
56.96299	0.5
56.96559	5.4
57.03431	3.9
58.06591	4.2
59.04998	1.0
59.49012	0.3
60.04226	0.6
60.04519	10.8
61.02913	1.1
62.28568	0.3
65.03925	0.3
67.05483	0.9
68.05014	1.4
69.03432	2.8
69.07056	5.3
69.28552	0.3
70.06586	14.1
70.07861	1.8
70.95847	0.5
71.01334	0.7
71.04984	2.8
71.06105	4.4
71.06937	0.3
72.07765	0.6
72.08147	9.1
72.93770	0.9
73.02908	2.3
77.00909	0.5
79.05494	0.6
81.03416	1.3
81.07065	0.8
82.06570	0.3
83.04968	0.8
83.06056	0.4
84.04516	2.5
84.08133	16.9
84.96008	0.5
85.02892	3.5
85.08464	0.4
86.06093	0.4
86.09698	100.0
87.09554	0.3
87.10009	1.6
88.03973	0.6
88.08743	3.5
90.05556	0.4
90.94823	0.7
91.05463	1.2
93.07007	0.4
94.06483	0.3
95.01379	0.3
95.04932	0.5
95.08581	0.8
96.04487	2.3
97.02882	4.6
98.06050	1.0
98.09702	1.1
98.21397	0.7
98.97577	3.1
99.04440	0.9
100.02231	0.4
100.07640	0.5
101.00892	1.2
103.00623	0.7
103.05444	0.8
105.07014	1.5
107.04939	0.4
107.08591	0.6
109.02843	0.5
110.01306	0.4
110.07175	0.8
112.07615	0.5
112.11231	32.0
114.05535	2.4
115.02444	0.5
115.05461	0.4
115.08707	1.5
116.07082	5.2
116.98612	3.4
118.01978	0.3
118.03518	0.7
118.64572	0.3
119.01905	7.9
119.08563	0.5
120.02016	1.4
120.96502	0.4
120.97930	0.7
121.01660	6.3
121.02493	0.4
121.10145	0.3
122.03428	0.3
124.05022	0.6
126.00727	0.4
126.05516	1.9
127.02487	0.4
127.03912	0.5
128.07076	0.4
128.98601	0.6
129.07010	0.6
129.10240	1.4
129.13870	18.3
130.05544	0.5
130.06516	9.8
130.08629	0.9
131.01878	3.0
131.04973	0.5
132.03490	0.3
132.04420	0.6
132.10190	0.9
132.95847	0.5
133.01649	0.9
133.03447	1.0
133.09978	0.5
134.03227	0.7
134.05997	0.6
134.08118	1.1
134.99649	2.2
135.03175	0.5
137.02985	1.9
138.03391	0.4
138.05492	0.5
138.98918	0.5
139.02682	4.0
141.09200	0.3
141.10197	0.4
142.03526	0.5
142.07706	0.4
143.01918	1.5
143.03445	0.4
144.03320	0.7
144.06589	0.5
145.03522	0.8
145.10136	0.4
146.99712	0.4
147.03224	0.3
147.04390	0.9
147.11539	0.4
149.01225	0.4
149.02922	0.7
150.96910	0.6
151.02719	1.0
153.00687	0.5
153.04091	0.8
155.01895	0.8
156.97491	0.8
157.03516	1.3
157.06453	0.5
157.07597	13.4
157.10168	0.9
158.05972	3.0
158.08083	0.8
158.09300	0.5
158.12888	5.9
158.99515	0.4
160.07603	0.4
161.01285	0.5
161.01498	0.6
161.02928	5.0
161.04085	0.5
161.09471	0.5
161.13232	0.5
162.04294	0.4
162.05511	0.9
167.05634	0.6
168.03984	0.7
168.06529	0.6
171.02888	0.4
172.10825	0.9
173.02969	2.2
174.98592	1.3
175.02731	0.9
175.04453	0.5
175.05925	0.3
176.07111	0.5
177.00653	0.7
179.03975	0.7
179.99103	0.9
183.05128	0.9
185.02992	0.7
185.07095	1.0
185.09575	0.4
185.13319	0.6
186.05511	1.5
189.00671	0.4
191.03925	0.4
193.00276	0.4
193.03720	1.2
198.00172	1.2
199.06828	0.5
203.00623	0.5
203.02231	1.8
203.05547	2.6
203.08160	8.0
203.10599	0.9
203.15187	4.4
203.18066	0.6
203.22279	1.9
204.06573	0.8
204.08624	1.8
204.13457	6.7
211.04639	1.0
221.03188	2.8
221.05086	0.8
222.96718	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	202.0894
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.5
55.01849	0.7
55.05505	8.5
56.04758	1.2
56.05028	18.8
56.88063	0.6
57.98795	0.8
58.99580	28.7
61.01135	1.1
63.95978	0.7
67.05512	1.1
68.05019	1.1
69.65404	4.2
69.65831	1.3
70.06583	1.9
72.08150	5.3
73.81417	0.7
74.00664	1.5
76.02215	6.5
78.19799	0.6
79.05486	31.9
80.05042	0.7
80.06274	0.7
81.07047	20.0
82.06573	8.9
84.08126	1.9
85.01121	100.0
86.00641	15.1
86.01105	0.9
86.01454	0.8
86.99043	15.6
87.02712	1.5
88.02193	3.2
88.03987	2.5
91.05476	0.8
93.07068	1.1
94.06574	1.0
95.04967	1.3
96.08131	2.3
97.08907	8.1
98.09048	1.5
98.09684	28.2
105.00063	7.1
105.07030	1.5
107.08648	0.9
110.09663	1.4
111.34108	0.7
112.24282	0.7
113.04218	36.6
114.03783	0.8
114.04551	0.8
120.01173	3.0
122.09679	2.7
131.01651	1.0
132.01144	11.9
139.05818	1.2
146.10512	1.0
156.08400	6.9
159.04732	1.4
159.21449	0.9
160.06148	0.7
160.07571	1.7
185.06297	3.8
202.08960	12.9
202.10777	1.3
203.07072	0.7
203.09026	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	202.1072
Annotation	L-dihydroanticapsin
Peak:m/z	Relative Intensity
54.34256	1.4
55.01867	10.3
55.05490	5.0
56.01388	1.9
56.05022	3.2
56.96554	3.5
57.03420	3.0
57.07072	19.9
58.06588	2.4
59.06096	2.5
60.04506	3.6
67.05499	17.4
68.05008	4.9
69.03413	3.0
69.07065	15.3
70.02605	1.9
70.02953	24.1
70.06593	13.8
71.04963	2.0
71.71532	2.9
72.04124	1.6
72.04511	26.3
72.08155	23.5
73.02527	1.8
73.02911	24.0
74.02409	5.2
77.27390	1.5
79.05483	3.7
79.36774	1.2
81.03400	2.3
81.07033	5.6
82.06570	3.6
83.04961	4.1
83.06088	2.1
84.04492	15.6
84.08133	16.0
85.02900	4.7
85.06554	12.8
86.06069	8.1
86.06499	1.4
86.09707	15.4
87.04469	13.8
87.08104	4.1
87.10043	1.6
90.05556	7.5
91.05451	5.6
93.07050	2.5
94.06548	2.8
95.04957	22.7
95.05949	1.5
96.04465	2.7
96.08122	8.0
97.02866	4.3
98.02412	32.1
98.06049	17.6
98.97585	1.8
99.04413	1.7
99.08102	2.4
100.03959	18.3
100.07600	2.0
103.07555	3.8
105.07036	3.1
107.04936	2.1
110.06043	3.3
110.09662	5.4
112.03959	3.2
112.07597	3.5
112.11243	1.8
113.06001	12.1
114.05523	5.8
115.54945	1.4
116.03445	42.8
116.98559	1.6
119.01892	3.9
120.08073	1.5
121.06495	2.0
124.07590	47.9
126.35104	1.4
128.03426	1.6
128.07050	2.1
129.06723	2.0
129.10245	2.4
129.13847	2.3
130.04980	3.9
130.06494	1.7
131.07013	4.0
131.08571	2.8
132.08893	2.7
132.10223	4.0
132.96655	1.5
137.03001	1.9
138.09119	4.0
140.10690	12.2
142.04991	4.7
142.08627	41.2
143.08464	1.9
144.08910	2.9
145.06447	1.8
146.06874	3.1
147.04410	3.9
156.06418	2.1
156.10135	9.4
157.06377	2.4
158.11752	33.8
160.09709	9.0
160.12050	1.5
161.08127	2.3
166.08609	5.6
174.05472	4.3
174.11247	4.5
175.07484	3.2
184.09656	36.8
184.13263	1.8
202.05060	7.2
202.07030	3.7
202.08748	6.3
202.10730	100.0
202.12672	3.9
203.03384	1.9
203.05258	2.4
203.06949	2.4
203.10762	2.3
203.14264	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	202.0559
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96557	4.7
62.22514	2.3
71.25166	7.6
72.11587	2.8
82.01430	12.9
84.08118	3.7
98.97564	15.6
100.02478	45.7
101.00891	18.0
102.96889	3.5
105.32079	2.9
116.98624	12.5
118.03500	28.4
119.01911	100.0
120.02030	8.1
121.01624	5.4
124.02402	3.9
124.51706	2.8
134.99625	10.4
137.02965	44.4
138.03098	3.1
142.03496	45.6
143.03667	3.1
160.04561	28.4
161.02979	17.1
161.04190	3.2
177.00935	7.6
178.01105	8.1
178.05630	7.0
179.00790	7.1
179.04002	36.1
179.98029	16.3
187.99284	5.0
190.48022	3.5
190.49609	3.7
196.98007	4.3
197.99146	37.1
199.50047	21.6
200.00021	8.4
202.05547	4.2
208.97479	3.1
220.02052	20.0
221.01993	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	202.0532
Annotation	PENICILLANIC ACID
Peak:m/z	Relative Intensity
53.03940	5.0
55.01874	2.4
55.05496	1.4
56.05026	1.0
56.96558	0.4
58.06585	0.4
58.99577	3.6
60.04510	0.4
67.05494	0.4
68.05019	5.2
69.03434	0.5
70.02962	0.8
70.06586	2.7
70.99574	0.8
71.04999	0.5
71.06115	0.4
71.25746	0.3
71.26096	0.6
72.04536	0.3
72.08158	0.7
72.93791	0.4
73.02907	1.0
74.00659	28.3
74.02438	1.5
76.02209	1.5
80.05027	0.5
81.03411	33.3
82.06561	0.5
83.04988	1.2
84.04509	0.5
84.08132	3.2
85.01121	1.9
86.00614	0.3
86.06071	0.3
86.09702	0.4
86.99040	2.9
88.02206	1.4
88.03979	4.2
92.01713	2.1
93.39179	0.3
94.06582	0.4
95.04990	0.3
96.04483	36.4
97.01106	0.9
97.02890	0.5
97.05275	5.0
98.00632	0.7
98.01245	0.3
98.06044	7.3
98.21010	0.3
100.02195	1.0
102.00131	0.3
102.09170	1.0
105.00069	4.5
111.00250	0.3
111.02658	0.9
112.03975	0.4
113.00584	19.7
114.03745	10.0
114.05484	0.4
115.02171	2.7
120.01154	43.5
121.55345	0.3
122.02706	2.0
122.06007	0.7
124.03881	0.3
124.07623	0.4
129.03743	0.3
129.10246	0.5
130.03247	0.7
131.01630	0.2
138.03702	0.6
138.05453	0.6
138.09142	0.4
139.02101	3.2
141.06448	0.9
142.04929	0.4
142.08604	0.7
143.01611	2.6
145.01921	0.9
150.96916	0.3
156.04762	100.0
157.03178	0.3
157.05132	1.3
160.04234	2.7
167.01601	0.4
174.05754	0.3
184.04247	1.4
184.05795	0.3
184.09662	0.6
185.00996	0.6
185.02664	13.2
202.05313	41.7
202.10748	1.1
202.18069	0.9
203.05585	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.0544
Annotation	5-Methylangelicin
Peak:m/z	Relative Intensity
50.01601	0.5
50.30207	0.3
55.01868	0.5
55.05515	0.7
56.05031	0.7
56.96558	0.7
57.03429	0.8
57.07063	0.4
59.05015	0.5
59.93094	0.4
60.04528	0.4
67.05489	1.0
69.03413	0.4
69.38455	0.3
69.50783	1.8
69.51207	1.6
70.06567	2.2
71.04971	0.5
71.08620	0.7
72.04482	0.4
72.08144	0.8
77.18938	0.3
78.04708	2.0
79.05492	0.6
79.71592	0.4
81.04572	0.4
81.07040	0.9
82.67509	0.3
84.04499	0.6
84.08128	2.1
85.02866	0.5
86.09681	2.4
87.04485	0.6
89.03896	0.6
90.83625	0.4
91.05466	9.1
93.07042	0.7
95.04964	1.3
95.08586	0.6
97.02917	0.4
99.04403	0.4
101.06016	0.6
101.07108	0.6
102.04668	11.8
103.05466	0.8
105.03360	1.3
105.07012	1.7
106.04179	1.3
107.08597	0.4
109.06512	1.1
111.04427	0.5
113.06011	0.4
114.09132	0.3
115.05441	27.2
116.06248	1.0
116.06978	0.4
117.07001	11.8
118.96734	2.2
119.01871	0.4
119.08574	1.0
123.04429	0.6
127.03906	3.7
127.05420	0.9
128.06200	3.1
129.06970	1.6
130.04129	16.8
130.06477	0.4
130.07773	0.6
131.04898	1.2
131.08551	3.4
132.08096	1.2
133.02820	0.5
133.10075	0.5
134.03607	1.4
134.99611	0.6
137.05963	2.3
140.27379	0.4
141.03323	0.4
141.05475	1.1
141.07013	2.5
142.04128	0.7
142.07722	0.9
143.04912	5.9
143.06032	0.6
143.08525	5.2
144.05693	1.1
145.06468	34.2
145.10112	4.1
146.06831	0.5
148.05154	0.8
149.01225	0.6
153.06932	0.6
154.96475	0.9
155.04930	0.9
155.06017	1.4
155.07167	0.4
155.08568	1.4
157.06454	0.5
157.10110	1.2
158.03612	50.6
158.07231	1.2
159.03918	0.8
159.08008	1.2
159.09157	3.3
159.11661	3.7
161.02901	0.5
161.05986	1.2
162.03104	13.3
165.05443	1.5
168.09323	0.9
169.06461	1.0
171.04367	1.1
171.05597	0.6
171.07994	0.5
173.05962	69.2
173.13264	1.9
174.06296	1.8
177.97972	1.8
183.06509	1.1
183.11653	1.4
186.03091	13.7
186.06688	1.2
186.10394	0.8
191.07014	3.2
201.05437	100.0
201.09120	3.2
201.12726	7.2
201.16243	2.7
202.05801	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	200.1281
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	0.4
55.05509	0.7
56.05030	1.6
56.96561	6.9
57.03426	1.4
58.06592	0.6
60.04524	0.6
60.05635	0.8
61.02910	0.4
65.03949	0.3
67.05499	1.0
68.05022	0.5
69.03425	1.2
69.07065	1.5
70.06586	18.6
71.04968	0.6
71.06924	0.6
71.71038	0.3
71.95242	0.3
72.04494	0.3
72.08153	2.9
73.02905	0.6
73.73006	0.3
74.02419	0.4
77.00863	0.4
79.05474	0.7
80.05004	0.5
81.03415	0.6
81.07034	0.6
82.01402	0.2
82.06564	1.4
83.04967	0.5
83.06087	0.4
83.07349	0.8
84.04497	4.6
84.08139	5.2
84.96014	0.4
85.02898	1.4
86.06066	0.6
86.09698	2.9
87.04457	0.8
91.05478	0.9
95.04946	0.5
95.06127	0.3
96.04468	0.4
96.08105	0.7
97.02897	0.9
97.06483	0.6
98.06054	0.5
98.09674	0.5
98.97573	11.0
99.05573	0.3
100.02483	0.5
100.03951	0.3
100.07610	43.7
101.00854	1.5
101.07935	0.5
103.05479	0.3
109.02863	0.4
110.06062	0.5
110.07121	0.6
110.97581	0.5
111.04428	0.5
112.07599	1.0
112.08713	0.5
112.11189	0.4
113.00867	0.3
113.07123	0.3
114.05552	0.4
114.06657	0.6
114.09245	0.3
116.07079	0.7
116.98610	11.8
117.06997	0.3
118.03516	1.3
118.96741	0.4
119.01906	8.8
119.04912	0.8
121.01664	0.3
126.09147	1.5
127.03881	0.5
128.07066	100.0
128.98586	0.9
129.07420	1.5
129.10197	1.8
131.01889	3.2
131.97400	0.3
132.04953	0.3
133.03494	0.5
134.19936	0.2
134.99644	11.0
135.03157	0.3
135.99902	0.2
136.04550	0.9
136.07497	0.5
137.02953	5.2
137.05971	0.9
138.06253	0.3
140.00203	0.5
141.05498	0.5
141.06575	0.3
141.10210	0.3
142.03508	0.6
143.00183	0.3
143.08527	0.4
145.03438	0.3
145.06448	0.4
146.99612	1.0
147.04402	0.9
148.04745	0.3
149.02965	2.4
150.96890	0.3
151.04501	0.5
153.00694	1.9
154.03447	1.5
154.08624	3.8
154.12242	2.5
156.05115	0.6
156.10165	0.4
157.04854	0.3
158.01250	1.7
158.03017	0.4
158.08028	0.5
158.09238	0.3
158.99648	1.1
160.04565	0.4
161.01288	0.4
161.02936	1.0
164.07028	0.3
167.04459	0.4
172.04530	1.9
172.09605	0.4
173.02921	0.7
174.06125	0.4
175.02820	0.4
175.11916	1.3
176.02354	0.7
176.04033	0.8
177.00697	1.5
177.02370	1.2
177.03972	0.5
177.98061	0.4
182.02992	0.6
182.08116	0.9
182.11778	1.0
183.08382	0.9
183.11266	0.3
188.54910	0.7
189.00732	0.4
190.05612	0.8
190.07402	0.3
191.03957	1.3
193.03696	0.4
195.01761	0.6
195.03374	0.7
200.04027	2.4
200.05692	0.4
200.07455	0.6
200.08926	1.5
200.12752	4.6
200.14346	0.6
200.19023	0.6
201.00847	0.3
201.02452	2.2
201.12686	0.6
211.04678	0.7
218.05052	1.5
218.06924	0.6
219.01694	0.6
219.03481	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	199.1076
Annotation	Pedatisectine D
Peak:m/z	Relative Intensity
55.01861	0.9
55.05500	2.2
56.05025	1.7
56.96544	2.0
57.03437	0.6
65.76168	0.6
66.11417	0.6
67.05484	1.6
69.03404	1.2
69.07053	1.6
70.06591	5.4
70.82742	1.1
72.08140	2.5
74.02419	2.4
74.09701	2.3
79.05470	1.3
80.05022	0.7
81.03403	0.8
81.07034	1.6
82.06555	1.5
83.06091	1.3
83.08609	0.9
84.04499	3.2
84.08135	3.5
85.02892	1.8
86.09691	1.7
91.05450	1.5
92.04977	0.9
93.07040	1.5
94.06549	3.1
95.04939	1.0
95.06114	0.8
96.04468	0.9
96.08082	0.7
97.02843	0.7
97.06501	0.7
98.97571	3.1
100.07590	1.0
107.04981	1.1
108.05260	1.2
108.08112	4.5
109.06486	0.7
109.07629	2.0
110.06012	1.1
110.07150	2.7
110.09629	0.9
111.04410	2.4
112.07561	0.8
114.09120	0.6
116.97217	1.2
116.98589	2.1
118.06515	3.3
119.01866	1.7
124.07574	1.4
126.09097	0.9
130.04994	1.2
131.01791	1.1
134.99681	0.8
135.09169	37.0
136.04706	2.1
136.07562	7.4
139.03860	1.1
140.04231	0.8
146.99744	0.6
152.07056	0.9
153.07565	3.3
153.10217	60.5
154.08600	1.6
154.10582	1.6
164.07034	1.3
174.98557	0.8
175.98439	1.0
181.09695	2.6
182.07964	1.1
196.44646	0.7
199.10767	100.0
199.18878	14.7
200.03970	0.8
200.11009	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	199.1326
Annotation	(-)-Hydroxydihydrobovolide
Peak:m/z	Relative Intensity
53.96724	1.1
55.05500	24.5
55.89407	1.2
56.05015	1.2
57.07065	12.5
60.45911	1.3
67.05493	3.4
69.07057	4.3
71.48114	3.5
74.09699	10.0
79.05491	3.1
81.07050	7.1
83.04960	9.6
83.08620	2.3
85.06525	6.2
91.05460	3.4
93.07029	9.0
95.04951	2.9
95.08580	9.6
97.06512	5.1
99.34394	1.2
100.07602	2.0
103.50912	1.3
105.06999	4.6
107.08579	16.8
109.06498	4.4
109.10172	2.8
111.04426	100.0
111.08054	2.8
113.05997	2.3
116.97200	9.7
116.98544	1.6
121.06493	2.5
125.05975	28.1
127.07562	2.5
128.06239	1.6
131.99539	2.9
134.99641	1.7
135.08051	12.7
135.11661	16.2
139.07521	2.0
143.08589	1.7
145.10109	15.6
148.97675	1.5
152.96928	3.6
153.12747	2.6
154.08588	2.2
157.10098	2.1
163.11163	16.1
175.98531	8.8
181.12207	21.3
192.88647	1.3
199.11435	2.6
199.14874	1.9
199.18875	40.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	198.0969
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05491	5.9
57.07088	6.2
60.08160	6.7
68.05003	4.8
69.07049	7.3
69.54781	35.7
70.06580	20.8
85.02901	11.2
95.06078	30.6
98.20735	9.0
104.06612	3.8
153.20563	3.8
163.06136	4.6
170.06593	6.4
198.11200	4.2
198.18517	100.0
216.55736	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	198.9852
Annotation	Unknow
Peak:m/z	Relative Intensity
54.48276	0.2
55.05489	0.5
56.05021	0.6
56.96555	3.1
57.07044	0.3
67.05505	0.2
69.03401	0.4
69.07030	0.4
70.00389	1.1
70.06564	0.8
71.04966	0.3
71.95231	0.2
74.09700	0.8
77.00912	0.2
81.03399	0.3
81.23779	0.2
83.08598	0.4
88.07104	0.2
97.02901	0.3
98.21469	0.3
98.97565	7.6
98.98215	0.4
99.04446	0.3
99.05535	0.2
100.07619	0.3
101.00861	0.8
102.94315	0.2
109.02804	0.3
110.20013	0.2
111.04463	0.3
116.01960	0.4
116.97331	0.3
116.98609	7.3
117.02163	0.2
118.03490	0.6
118.66524	0.2
119.01914	4.9
120.02013	0.2
120.95386	0.4
121.01622	0.5
128.98524	0.2
132.05089	0.2
134.02972	2.7
134.04747	0.5
134.99643	5.7
136.03539	0.2
136.04520	0.9
137.02940	2.3
138.96349	2.7
139.02641	0.3
140.00212	0.4
142.03421	0.5
152.04027	0.7
153.00693	1.1
154.98117	0.2
156.97456	51.2
157.04614	0.6
157.97505	1.8
158.01273	0.6
158.02998	0.3
160.04567	0.3
161.02954	0.4
172.95198	0.3
174.98514	100.0
175.98586	4.0
176.02432	0.4
176.04079	0.8
176.05867	1.0
176.99078	0.3
177.00882	0.7
179.99062	2.6
180.97443	0.6
180.99007	0.4
181.04652	0.3
184.59113	0.3
184.98822	0.3
190.96381	0.3
192.98651	0.4
193.06741	0.4
194.05165	0.3
194.06914	0.4
198.00134	3.0
198.18501	4.9
198.98520	10.0
199.00162	0.7
199.03967	0.3
199.05856	0.5
199.18855	3.3
199.98645	0.4
206.00630	0.3
213.00079	0.2
214.96443	0.3
216.96213	1.2
216.99568	29.5
217.05328	0.6
217.99731	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.0562
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	4.4
56.05021	13.0
56.96555	24.4
57.03427	1.4
57.04540	4.1
57.07058	2.6
57.93541	4.6
58.06588	1.8
59.06105	1.7
61.08792	1.2
67.05473	1.7
69.03410	1.6
69.07043	4.9
70.06579	1.9
70.07387	1.5
70.45043	5.2
71.04977	3.1
71.06132	1.2
71.95251	2.0
72.04513	2.5
74.09701	9.5
75.94598	3.1
81.03406	1.3
83.06092	1.8
83.08601	3.6
84.08106	1.5
84.08912	1.6
85.14940	1.7
89.06059	1.3
93.07027	1.6
96.09009	1.3
97.06554	1.8
97.99178	3.0
98.97571	69.8
99.04445	1.7
99.05563	4.9
100.02470	6.7
100.07596	2.1
101.00871	7.2
109.10105	1.2
111.04431	4.9
116.00185	4.4
116.01932	11.4
116.97252	26.6
116.98601	74.5
118.03501	31.6
119.01910	48.9
119.03719	1.5
119.46388	1.4
120.02058	1.8
121.01641	4.7
130.03488	5.5
131.01831	1.4
131.99541	5.6
132.05045	5.1
134.01254	4.5
134.02974	100.0
134.04639	2.5
134.99638	68.7
135.03122	3.4
136.04535	35.6
136.13364	1.4
137.02956	22.5
137.04626	1.6
138.03050	3.9
139.02618	2.4
139.03581	1.8
139.98802	1.4
140.08138	1.4
142.03525	8.1
143.08563	1.4
147.03239	1.4
148.96120	1.8
150.06079	3.5
152.04018	23.2
152.05864	3.3
152.96912	9.7
153.00667	13.5
156.09229	1.5
156.97496	2.7
157.02716	1.6
157.03383	2.7
157.04556	25.7
157.10056	2.0
157.97461	1.6
158.01282	6.2
158.02957	11.0
159.06131	3.1
160.04567	9.0
161.02940	3.3
170.98042	2.2
172.04599	6.5
173.07773	2.3
174.06090	2.2
174.98581	3.2
175.03961	7.9
175.05637	28.4
175.98517	15.7
176.02315	4.8
176.04033	33.1
176.05811	8.5
177.00917	6.1
178.00961	1.4
178.05615	4.1
181.04625	2.3
190.05550	3.5
191.08879	1.7
192.98715	2.8
193.06686	11.6
194.03479	2.4
194.05078	11.8
194.06854	3.9
198.07295	2.0
199.03940	5.3
199.05650	18.4
199.07443	2.4
199.11595	2.2
199.14906	1.8
199.18863	42.4
200.03993	4.2
213.32430	1.4
216.71230	1.3
216.98497	1.5
217.00296	1.8
217.04657	6.3
217.06921	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	198.0609
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.4
55.01863	1.4
55.05506	6.1
55.93530	0.5
56.05029	0.3
56.96557	5.9
57.03424	3.0
57.07072	2.9
58.06596	0.6
58.99855	0.6
61.02919	2.8
67.03362	0.3
67.05508	1.6
68.05025	0.7
69.03424	6.2
69.07059	5.1
70.06586	100.0
70.95884	0.5
71.04984	0.8
71.06918	1.1
71.08637	1.0
71.34547	0.9
71.95266	0.6
72.04500	0.6
72.08163	0.8
72.93775	1.3
73.02905	3.8
77.00904	0.6
79.05486	1.1
79.41190	0.3
81.03413	1.6
81.07042	1.1
83.04994	1.1
83.08610	4.3
84.04512	0.5
84.08131	0.4
85.02898	4.7
86.06054	1.5
86.09706	0.4
87.04456	0.4
88.02671	0.5
90.94852	0.9
91.05460	0.4
93.07039	1.1
94.06554	0.3
95.01324	1.3
95.01939	0.3
95.06069	0.6
95.08601	1.1
96.04474	0.6
96.08134	0.7
97.02876	3.5
97.06506	1.2
97.10165	2.7
98.03217	0.4
98.06058	1.4
98.97583	2.8
100.07600	1.2
101.00867	2.5
101.02410	0.4
102.02384	1.6
105.00391	0.4
106.06512	0.5
107.08607	0.6
108.02375	0.5
109.03033	0.4
109.06517	0.5
110.01299	0.5
110.06016	0.5
110.07144	0.8
110.09641	0.5
110.97570	0.5
111.02934	1.2
111.04416	0.7
111.08060	0.8
113.00901	0.6
113.02376	2.2
113.96364	0.8
114.09175	0.5
115.02421	0.5
116.98640	1.8
118.03529	0.4
119.01897	10.6
120.02039	1.4
120.03416	1.5
121.01661	0.7
121.10107	0.7
123.02946	0.6
124.11225	0.4
126.09163	0.5
127.03914	0.8
128.02309	0.9
128.05568	0.8
128.98569	0.7
129.01752	0.5
129.03952	0.8
131.01869	2.4
131.97444	0.4
132.95821	1.0
133.03459	1.1
133.05061	0.4
134.99615	1.8
135.09186	0.7
136.07584	0.8
137.02908	3.0
138.03302	0.7
138.05241	0.8
138.09140	0.5
139.03914	0.4
141.01755	0.4
142.03499	0.4
142.96478	0.7
143.01892	1.5
145.03436	0.9
146.06635	0.8
146.99661	1.2
147.01357	0.5
147.03970	0.8
149.02954	1.1
150.96848	1.7
151.96983	0.7
152.05530	1.0
152.07039	1.9
152.08127	0.7
152.10699	0.9
153.06409	1.1
153.10217	0.5
155.01891	0.8
157.03456	0.7
160.97594	2.0
161.01274	0.4
161.01494	0.5
161.02925	4.0
164.07043	0.5
170.06621	14.2
171.06715	0.6
173.02924	2.3
173.98550	0.5
174.96844	0.7
174.98961	1.1
175.04488	0.6
177.00703	0.8
180.05008	0.7
180.06480	0.7
180.10120	0.5
181.05843	0.5
181.09824	0.6
182.08131	2.5
185.02943	1.3
187.00923	0.5
188.07674	5.6
190.98598	0.8
192.98000	0.8
193.00182	1.4
193.08200	1.1
198.06097	10.6
198.08003	0.4
198.08899	0.6
198.11247	6.5
198.18510	88.8
199.10802	1.5
203.04065	0.6
216.07158	20.6
217.07364	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	198.0759
Annotation	3,4-Dihydroxy-L-phenylalanine
Peak:m/z	Relative Intensity
54.59764	0.5
55.01863	0.7
55.05505	6.1
56.05009	0.6
56.96552	0.7
57.07067	4.0
64.52434	0.4
67.05484	1.0
68.05003	0.8
69.03394	0.8
69.07060	5.3
70.02940	0.7
70.06573	1.9
70.89415	1.3
70.89777	0.7
70.95818	0.5
71.04966	0.6
71.08614	1.2
72.04487	0.9
72.08143	0.8
74.02428	2.6
78.34412	0.5
79.05489	6.4
80.05006	1.6
81.03407	1.2
81.07060	2.6
82.06547	1.0
83.04960	1.5
83.08612	5.2
84.04482	0.9
84.08137	0.7
85.02889	0.9
86.06039	1.2
86.09663	0.5
91.05453	1.6
93.03376	0.9
93.07020	0.9
94.06532	1.1
95.04948	1.2
95.08600	0.9
96.04449	0.4
96.08125	0.8
97.06512	1.4
97.10180	2.7
100.07568	1.5
106.06541	7.4
107.04942	20.9
107.08578	1.4
108.05728	1.0
109.02802	1.2
109.10159	0.6
110.06041	0.8
111.04435	2.7
111.08029	0.5
114.09183	0.6
117.05775	0.6
118.06511	2.2
119.04949	0.8
121.10149	0.8
124.07573	1.3
125.05971	1.4
125.09598	0.6
126.09195	0.5
128.10675	0.5
134.06007	11.6
135.04395	27.2
136.07536	0.8
136.55038	0.5
139.03891	6.3
150.96852	0.7
152.07053	46.7
152.10492	1.1
153.07352	0.6
162.05461	0.6
163.03865	1.8
174.96806	0.9
180.06493	4.8
180.10075	0.5
181.04890	3.9
198.05939	0.6
198.07616	6.8
198.11243	4.5
198.18512	100.0
213.46307	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	198.0609
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	0.5
56.96566	1.6
57.07063	0.2
68.05022	0.6
69.03430	1.1
69.07059	0.6
70.06583	100.0
70.95888	0.3
71.06908	0.8
71.73464	0.4
72.93777	0.4
73.02910	0.4
78.04415	0.2
78.90972	0.2
81.04567	0.3
83.08607	0.5
85.02883	0.5
93.07044	0.3
97.02851	0.5
98.06013	0.6
98.21251	0.3
98.76811	0.2
98.97577	0.8
101.00842	0.6
110.97520	0.4
116.98569	0.5
119.01909	3.3
120.02032	0.3
128.05559	0.9
128.98587	0.5
131.01903	0.5
132.95840	0.5
137.02911	0.9
138.05237	0.8
142.03477	0.3
146.06567	0.7
146.99695	0.4
150.96863	0.8
151.97021	0.3
152.05537	0.7
152.06898	0.3
153.06332	1.3
156.05049	0.6
160.97789	0.3
161.02913	0.4
170.06612	13.9
171.06645	0.4
173.98537	0.3
174.99023	1.2
180.05046	1.0
181.05789	0.7
182.08128	1.4
183.02307	0.2
188.07668	5.4
193.00211	1.4
193.08258	0.7
198.06088	11.2
198.08449	1.0
198.11147	0.9
198.18509	10.8
199.06282	0.5
199.10866	0.4
216.07149	22.1
217.07329	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1535
Annotation	trans-Acetate-1-methyl-2-(1-methylethenyl)-cyclobutaneethanol
Peak:m/z	Relative Intensity
53.03936	2.4
55.01864	4.6
55.05505	29.9
57.03431	4.0
57.07059	4.1
59.04980	1.0
65.03923	1.5
67.05499	41.6
69.03412	2.6
69.07063	26.3
70.06573	1.2
70.95861	5.8
71.01337	1.6
71.04980	18.0
71.24189	2.2
72.93772	3.9
79.05489	23.1
81.03411	1.3
81.07048	82.7
82.09156	0.9
83.04952	6.1
83.08613	23.9
85.06530	21.0
87.04450	2.0
88.96897	1.6
90.44968	0.9
91.05470	22.0
93.07033	26.2
95.04964	5.9
95.08595	100.0
96.08956	1.7
97.06522	33.6
97.10155	7.2
99.08086	4.7
100.19160	0.9
105.07021	25.9
107.08576	14.4
109.06516	5.2
109.10139	10.6
111.08063	5.6
111.98463	4.8
113.08253	1.1
113.09599	1.3
115.07584	1.6
117.07006	2.3
119.08566	36.3
121.10141	7.6
123.04443	1.5
123.08056	8.7
123.11707	2.3
125.05976	1.9
127.07471	1.1
129.99521	3.1
132.95840	7.0
133.10117	29.0
135.11673	19.9
137.05949	2.4
137.09602	3.7
137.13251	16.3
141.06987	1.1
149.13235	1.3
150.96875	14.7
151.03940	2.0
151.11151	2.6
155.08478	1.4
155.10597	1.3
155.97424	5.5
159.11710	1.4
161.09645	2.3
161.13243	53.3
162.13579	1.2
167.08627	1.4
169.10051	2.1
173.98462	9.9
179.10663	8.8
179.14281	27.8
182.10899	1.4
197.06233	1.0
197.08173	2.3
197.10085	1.6
197.11728	3.7
197.13301	3.3
197.15381	14.0
198.11212	1.9
198.18515	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	197.1535
Annotation	Dihydrocarveyl acetate
Peak:m/z	Relative Intensity
52.31501	1.3
55.01855	3.4
55.05507	26.2
57.03431	3.2
57.07061	4.3
65.03913	1.4
67.05496	32.7
69.07053	24.0
69.86493	8.5
70.95839	3.7
71.04978	15.5
72.93755	2.4
79.05482	22.5
81.03381	1.6
81.07047	73.6
83.04997	6.6
83.08608	18.2
85.06533	15.4
89.19781	1.2
91.05470	24.2
91.13765	1.6
93.07032	22.5
95.04923	3.5
95.08593	100.0
97.05875	2.1
97.06514	30.9
97.10161	6.7
98.20770	2.2
99.08087	4.8
105.07018	28.8
107.08575	14.5
108.94941	1.3
109.06481	3.4
109.10133	5.6
111.08051	6.6
111.98453	3.7
119.07746	2.1
119.08572	37.2
121.10133	10.2
122.34155	1.4
123.08061	5.8
127.07455	1.4
129.99493	1.6
132.95807	5.2
133.10114	27.7
135.11688	21.1
137.09564	3.9
137.13232	24.9
150.96854	9.3
151.03876	1.8
151.14894	1.6
155.08563	1.8
155.97386	3.1
156.09283	1.7
161.13242	60.4
162.13522	2.0
169.10065	1.7
173.98463	7.1
179.10622	3.4
179.14285	29.7
181.10367	1.9
184.88077	1.4
197.11646	3.4
197.13359	3.0
197.15201	9.0
198.11328	1.8
198.18518	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	197.1535
Annotation	trans-Acetate-1-methyl-2-(1-methylethenyl)-cyclobutaneethanol
Peak:m/z	Relative Intensity
53.03931	3.0
55.01857	5.4
55.05506	26.0
57.03423	4.5
57.07059	5.1
59.04992	1.0
65.03925	2.1
67.05498	41.7
67.31493	1.0
69.03416	2.9
69.07062	28.8
69.54986	4.1
69.55424	5.1
70.06583	1.7
70.95857	7.7
71.04984	18.0
71.08641	1.3
72.08136	1.7
72.93771	4.1
79.05484	23.4
80.06253	0.9
81.07048	79.8
82.02470	0.9
82.07384	1.1
83.04984	7.0
83.08612	21.7
84.08090	0.9
85.06538	20.6
86.06065	1.3
87.04469	1.9
88.96873	1.3
90.94872	1.3
91.05471	24.8
93.07032	27.2
95.04949	6.0
95.06094	1.3
95.08598	100.0
96.08171	1.2
96.08922	1.5
97.06519	35.6
97.10154	8.5
98.20683	2.0
99.04465	1.5
99.08055	6.9
100.07626	1.1
101.05984	1.5
105.07018	25.0
107.08583	16.9
109.06503	4.8
109.10137	8.1
111.08070	7.4
111.98476	6.1
113.08264	2.2
113.09657	2.1
115.07491	1.8
117.07014	1.9
119.04934	1.1
119.08568	34.0
121.06508	1.8
121.10135	8.2
123.08060	7.3
123.11649	1.4
125.09577	0.9
127.03977	1.2
127.07536	1.9
129.99489	4.1
132.95815	6.7
133.10110	25.2
135.11674	20.9
135.12639	1.5
137.05943	2.9
137.09605	4.4
137.13248	14.0
141.06935	2.3
141.09090	1.2
150.96878	18.3
151.03888	4.0
151.07486	2.0
151.11185	3.1
152.07068	1.1
154.06232	2.8
154.07797	1.3
155.08417	2.1
155.97382	5.3
161.09598	3.3
161.13246	53.4
162.13658	1.1
167.08546	2.5
168.97974	1.0
169.08682	1.4
169.10091	2.4
173.98485	10.7
179.07074	1.6
179.10693	9.1
179.14294	27.5
180.14545	1.3
182.05742	1.1
182.10944	2.9
197.00049	1.3
197.06038	1.7
197.08060	3.3
197.09688	2.8
197.11566	6.2
197.13283	6.7
197.15355	12.1
198.11252	4.1
198.18527	50.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.117
Annotation	Kobifuranone A
Peak:m/z	Relative Intensity
52.70211	0.8
53.03921	1.7
53.07953	0.9
55.01863	1.3
55.05499	6.2
57.03431	1.2
57.07056	3.0
59.04977	3.4
65.03915	1.1
67.05503	7.0
69.03399	2.9
69.07044	3.8
69.07374	0.9
70.06570	1.8
70.95853	5.9
71.04980	1.4
71.06107	1.0
71.08631	0.8
71.73243	1.4
72.08139	1.8
72.93767	2.7
78.16647	0.7
79.05492	7.1
81.03389	0.9
81.07038	10.4
83.04955	1.3
83.08174	0.9
83.08611	3.2
85.06512	1.2
86.06064	1.1
88.96897	2.1
90.94786	0.8
91.04923	1.5
91.05471	19.0
93.07039	23.7
95.04967	9.6
95.08608	5.2
97.06492	1.7
97.10152	1.7
99.04428	1.9
100.55023	0.8
105.03419	1.1
105.07024	32.6
106.07302	0.9
107.04964	1.5
107.08582	63.2
108.08881	1.7
109.06496	7.5
109.10158	7.8
111.98459	4.9
113.08220	2.6
113.96392	0.9
115.05428	1.6
117.07022	1.2
118.07776	1.0
119.04919	3.0
119.08575	10.7
121.06501	5.7
121.10117	2.5
121.15652	0.9
123.04417	3.8
123.08026	1.3
123.11694	2.7
125.06000	1.1
127.03859	1.0
129.99513	3.9
131.08566	2.4
132.95825	7.3
133.10118	68.9
134.10443	1.8
135.08044	1.2
135.11681	51.8
137.05978	4.3
137.09596	5.2
137.13243	0.9
141.05391	1.0
141.06953	1.4
143.08664	1.0
146.07230	1.8
150.96880	17.8
151.03857	3.3
151.07535	1.3
151.11179	5.3
155.09315	1.8
155.97371	5.2
161.09615	32.0
162.09851	0.8
167.08438	1.4
169.10031	0.9
173.98480	13.2
179.10655	100.0
180.10947	2.7
182.10905	1.9
197.00156	1.6
197.05952	1.3
197.09857	2.8
197.11708	64.2
197.13268	3.6
198.11333	2.9
198.18520	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	197.1006
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73954	0.3
52.88427	0.3
53.77682	0.3
54.14133	0.4
65.01188	0.7
68.05005	0.9
70.06581	100.0
70.32230	1.0
71.06109	0.4
82.03821	1.8
89.47424	0.4
92.58308	0.4
95.06077	0.6
96.05644	0.4
98.06044	1.0
101.00901	1.2
106.25822	0.5
113.08224	3.0
116.07132	0.5
119.01916	5.9
125.11427	0.4
128.05574	1.4
131.01895	0.6
133.03574	0.4
135.05266	0.7
137.02954	1.8
137.06841	13.4
138.05246	15.4
146.06532	1.8
152.05579	0.7
153.06355	1.2
155.01981	0.5
155.08009	0.8
155.09267	1.1
156.05095	1.3
162.06372	4.3
163.04855	0.6
170.06609	15.3
170.08026	0.8
173.02899	0.6
174.06175	0.6
179.09023	24.2
180.05069	1.4
180.07414	9.1
188.07648	6.0
192.07187	0.5
193.08257	1.5
196.87833	5.4
197.02965	0.5
197.10120	4.5
197.11526	0.4
198.06100	10.2
198.08530	1.3
198.18570	0.6
211.09314	0.5
215.03951	0.4
215.08813	0.4
216.07152	18.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1171
Annotation	Kobifuranone A
Peak:m/z	Relative Intensity
53.03934	1.5
55.01854	1.1
55.05501	5.2
56.95128	0.7
56.99884	0.6
57.03398	1.8
57.07056	2.1
59.04999	3.2
61.24683	0.6
65.03941	1.1
67.05501	7.1
68.05002	0.8
69.03400	1.8
69.07051	3.6
69.71397	4.1
70.06578	1.5
70.95857	5.7
71.04970	1.4
72.08157	3.1
72.93792	3.0
73.02888	0.9
75.05763	0.9
75.19478	0.7
79.05488	7.4
81.07045	8.2
83.04970	2.0
83.08592	1.6
85.02898	0.7
86.06034	1.2
86.09712	1.0
88.96885	1.5
91.05472	21.5
93.07034	27.2
95.04964	9.9
95.08600	4.2
96.08102	2.4
97.02859	0.7
97.06495	2.2
99.04409	1.1
104.20774	0.6
105.03370	1.0
105.07018	31.6
107.04919	1.8
107.08582	65.6
108.08905	1.5
108.45609	0.6
109.06508	6.9
109.10139	7.3
110.07127	0.7
111.08057	1.6
111.98446	4.5
113.05959	1.3
113.08212	3.2
113.96371	1.1
117.07024	1.5
118.07811	0.8
119.04901	2.4
119.08566	8.6
121.06498	6.2
121.10126	2.1
123.04439	4.0
123.08028	2.5
123.11720	3.1
125.05958	2.4
127.03889	1.8
128.06239	0.7
129.99498	2.8
131.08534	2.8
132.95821	7.3
133.10114	66.2
134.09563	0.7
134.10486	1.5
135.08038	1.9
135.11676	53.5
136.12001	1.8
137.05972	6.6
137.08208	1.2
137.09618	5.2
138.06584	1.0
141.05441	1.2
141.06960	1.0
143.08524	1.1
146.07281	1.0
150.96877	14.9
151.03908	2.3
151.07553	1.3
151.11160	6.4
152.07079	1.1
155.09309	1.6
155.97382	5.7
157.08649	0.6
161.09607	31.9
162.09952	1.2
168.96480	0.7
170.11679	0.7
173.98473	11.5
179.10654	100.0
180.11026	2.6
197.00151	1.1
197.04378	0.9
197.11713	55.1
197.17291	1.7
198.11087	5.1
198.18517	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	196.0966
Annotation	L-Homotyrosine
Peak:m/z	Relative Intensity
53.03940	38.9
54.04244	1.0
55.05490	4.5
56.05023	0.9
56.96547	2.0
58.81949	1.0
67.05476	1.4
68.05021	25.7
68.99773	1.0
69.03424	1.4
70.06583	44.5
71.74248	1.6
73.02880	1.6
79.05462	1.8
80.04983	2.0
81.03408	66.4
83.04972	59.3
84.08104	2.9
94.06542	1.1
96.14532	0.9
97.02890	1.5
98.97554	1.5
106.06544	34.0
107.07326	1.7
108.08108	6.1
110.01243	1.1
114.05520	55.8
116.07083	14.4
119.01835	2.9
122.05979	2.0
122.09640	3.9
123.04350	1.5
123.06763	1.3
124.05011	1.0
124.07558	1.6
127.02332	1.1
128.02260	2.3
128.98578	1.0
131.01874	2.8
132.08063	2.5
132.95810	1.9
134.09615	3.9
136.07544	1.9
137.05959	1.3
150.09123	45.1
150.96834	3.0
151.09853	2.1
152.07043	28.9
155.01854	1.9
155.80220	1.0
155.97397	1.3
166.08565	1.2
168.10172	5.1
172.97612	1.0
173.02940	3.0
173.98457	2.1
175.31221	0.9
178.08591	7.3
191.75409	1.2
196.09659	100.0
196.16911	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	196.0967
Annotation	L-Homotyrosine
Peak:m/z	Relative Intensity
51.02379	1.3
53.03942	31.0
55.05491	2.7
67.05479	1.3
67.16012	0.8
68.05022	20.9
70.06582	35.0
71.19090	1.3
71.19423	1.4
75.92426	0.8
80.05012	1.1
81.03410	61.2
83.04972	49.0
83.05486	1.7
106.06544	30.6
107.07364	0.8
108.08111	7.9
114.05520	53.0
116.07085	14.6
122.09635	4.5
123.06800	1.1
132.08080	1.2
134.09622	4.7
136.07549	1.3
150.09129	47.9
151.09741	1.1
152.07048	26.0
165.05450	0.8
168.10162	3.7
178.08536	5.0
196.09668	100.0
197.10077	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	196.0968
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58374	0.6
53.03940	19.1
55.01873	4.9
55.05507	5.6
56.05015	2.2
56.96559	22.2
57.03428	12.7
58.06586	1.7
58.99841	2.9
59.04982	0.9
60.03645	0.6
60.04511	2.5
60.99616	0.7
61.02925	12.6
65.03941	0.8
67.01853	1.1
67.05481	2.9
68.05019	24.7
68.99756	0.7
69.03421	18.8
69.07050	1.5
69.96152	1.1
70.06584	51.4
70.95353	1.0
70.95835	7.4
70.98113	1.5
70.99844	1.3
71.01339	1.3
71.04971	3.4
71.06910	0.9
71.43479	0.7
72.08134	3.6
72.93775	5.5
73.02515	1.0
73.02903	10.9
74.06052	1.2
75.01880	1.1
75.04504	0.9
77.00896	3.6
79.05465	3.3
80.04996	3.1
81.03410	66.4
81.07040	1.5
82.02644	1.0
82.06575	1.6
83.01318	1.5
83.04971	50.4
84.04515	3.9
84.05307	0.7
84.07708	1.0
84.08134	10.6
84.96037	0.9
85.02896	15.4
85.08458	1.3
85.27110	0.7
86.02410	1.7
86.09697	1.2
87.00801	1.0
87.04460	2.2
88.02664	2.1
88.96878	1.9
89.00812	1.0
90.02408	0.8
90.94805	2.8
91.02485	0.8
91.05470	2.2
93.01917	1.0
94.02601	1.0
94.06536	2.4
95.00798	0.8
95.01309	5.5
95.01907	1.9
95.04961	2.0
95.08587	1.8
96.01521	0.9
96.02418	0.8
96.04479	1.8
97.02878	16.4
98.06020	1.3
98.97577	5.9
99.04438	2.4
100.02478	11.3
101.00870	8.8
101.02498	0.9
102.02378	2.5
103.02403	2.1
103.71984	0.7
104.52835	1.3
105.00339	2.1
105.02878	0.9
105.07028	2.3
106.06542	31.1
107.03416	1.1
107.04974	1.3
107.08586	1.6
108.08104	10.4
109.06464	1.0
109.10151	0.9
110.06039	1.4
110.07136	3.1
110.53687	1.2
110.97565	1.2
111.00755	0.8
111.02908	2.6
111.98472	6.6
112.01823	0.9
112.99136	1.1
113.00845	2.1
113.02354	5.9
113.53396	0.8
113.96403	3.2
114.05516	47.5
115.02389	3.8
115.03128	0.9
116.07081	20.7
116.98619	5.4
117.00237	1.2
117.01968	1.4
117.02918	1.3
117.05709	2.2
118.03512	11.3
118.06477	1.1
119.01907	51.8
119.04936	1.1
120.01998	3.3
120.03384	1.2
120.08113	1.3
120.97907	0.8
121.01627	1.7
121.03419	2.1
121.06436	0.9
122.06024	2.2
122.09655	3.4
123.02946	1.3
123.06779	1.8
123.09122	1.3
124.02768	1.0
124.03953	2.3
124.07580	2.3
127.02404	1.8
127.03952	2.7
128.02267	0.9
128.98579	3.0
129.01851	1.3
129.02974	1.2
129.03960	2.9
129.10239	1.8
129.99458	4.3
130.08633	1.1
131.00188	1.2
131.01881	17.7
131.02763	1.7
131.96144	2.2
131.97424	3.5
132.01976	1.7
132.03430	1.8
132.05067	0.9
132.08110	4.6
132.95811	7.6
133.03427	10.2
133.06473	1.3
134.05980	6.5
134.09648	5.5
134.99612	4.6
135.01195	1.3
135.05049	1.1
135.11639	1.0
136.03714	1.1
136.04614	1.1
136.07547	13.7
137.02951	14.8
137.05952	2.6
138.03357	0.9
138.05463	1.9
140.02275	1.8
141.01805	2.5
142.03482	3.3
143.01880	4.4
144.99806	5.1
145.02463	1.0
145.03453	10.5
146.03207	1.1
146.99619	3.8
147.01270	1.0
147.03149	1.3
147.05022	4.0
147.06706	0.9
148.07520	3.2
149.01181	1.4
149.02934	5.3
149.05838	2.1
149.08366	1.0
149.97189	7.1
150.01782	1.7
150.05496	2.2
150.09126	55.2
150.96877	21.9
151.04344	1.0
151.08644	6.6
151.09712	1.1
152.05797	1.5
152.07048	31.2
153.03973	1.4
155.01849	9.6
155.02823	1.1
155.97391	6.0
156.01958	0.9
156.05063	2.0
157.03497	4.2
158.99628	1.8
159.04993	0.8
160.04588	1.2
160.07564	21.2
161.01207	1.4
161.02922	9.0
162.03050	2.6
162.04465	2.3
162.99104	1.2
163.00851	1.8
163.02705	1.8
163.04494	3.5
164.03212	1.0
164.05771	0.8
165.00705	1.9
165.06299	1.5
166.08636	2.9
166.53616	0.8
168.05052	1.3
168.06458	1.0
168.10162	5.2
168.97919	1.3
168.99806	2.1
169.03418	1.2
170.06566	1.8
171.01414	1.8
171.04970	1.6
172.01569	1.1
172.04599	1.5
172.95268	1.3
172.99358	5.8
173.01190	2.6
173.02951	21.0
173.98457	12.3
174.03110	1.2
174.06143	1.0
175.04538	2.1
177.00664	2.3
177.02354	1.4
178.06001	1.8
178.07242	3.6
178.08601	42.0
179.05592	2.0
184.04558	1.2
185.02898	4.5
187.00873	5.0
187.04469	1.4
189.00783	1.4
189.02460	2.5
190.05557	1.7
190.96393	1.2
190.98564	3.4
191.00336	8.0
191.02086	1.4
191.04048	7.3
191.05733	1.4
196.00932	7.3
196.04520	5.8
196.05934	3.0
196.09674	100.0
196.16924	4.9
197.09511	2.4
198.02461	0.9
199.04584	1.0
201.02448	1.1
202.98633	1.5
203.03975	3.5
205.01910	1.4
208.99583	1.9
209.03128	1.0
214.01855	3.6
214.05530	1.9
215.00363	1.0
215.04005	1.0
217.01959	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1743
Annotation	Geranylacetone
Peak:m/z	Relative Intensity
50.18394	0.7
53.03948	2.5
55.01876	2.1
55.05501	11.1
57.03432	1.8
57.07069	11.8
59.05018	0.7
65.03933	1.1
67.01852	0.7
67.05499	11.6
68.99819	0.7
69.03420	4.1
69.07058	17.3
69.90350	1.9
69.90762	2.1
70.06571	1.4
71.04984	3.2
71.08627	1.2
71.78532	0.6
72.08138	1.4
74.86089	0.6
79.05477	10.4
79.05927	0.8
81.03391	1.4
81.07048	32.1
83.04976	2.2
83.08609	11.3
84.08163	1.6
85.02906	1.0
85.06538	1.3
86.87609	0.6
89.06037	1.6
91.05462	7.4
93.07038	21.1
95.04977	2.7
95.08595	57.2
97.02923	1.0
97.06519	2.7
97.10159	2.9
98.21508	0.8
99.04426	1.0
99.08103	1.1
103.05464	1.5
105.07002	4.7
107.04940	6.2
107.08580	38.6
109.06490	2.1
109.10143	16.5
111.04427	2.0
111.08082	3.0
113.06020	1.1
115.05400	0.8
117.03354	1.0
117.07008	2.4
119.08568	1.8
121.02870	2.2
121.06511	2.1
121.10131	51.4
123.08073	1.0
123.11697	12.1
125.02338	10.5
125.06006	1.5
125.09640	3.4
131.08556	0.9
133.10086	0.9
135.04425	1.9
135.08089	3.5
135.11684	18.3
137.05992	1.0
137.13240	100.0
138.13565	1.1
139.07497	0.8
139.11182	2.0
140.04669	7.9
141.05464	4.0
141.06438	0.7
145.02866	2.1
148.97359	0.7
149.05949	1.3
149.09633	1.5
149.13249	5.1
150.12761	1.6
151.14777	0.9
153.05444	2.5
153.09120	2.1
159.11809	0.8
163.03871	2.1
163.07574	1.1
165.07005	2.0
167.07050	1.4
167.10660	0.9
167.40744	0.7
177.05527	3.7
177.09087	1.4
177.16370	50.5
178.16711	0.8
180.09288	0.7
195.02884	4.0
195.06464	2.4
195.08391	1.1
195.10130	13.7
195.11607	1.4
195.13759	1.7
195.17419	40.3
196.09720	0.9
196.13281	1.2
196.16972	0.8
202.70917	0.7
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	Unknow
Peak:m/z	Relative Intensity
52.33146	0.6
53.03916	0.8
55.05506	6.9
57.03449	0.8
57.07068	10.4
64.90554	0.6
67.05495	5.9
68.43366	0.7
69.03420	1.1
69.07060	11.6
69.44408	2.1
69.44839	5.7
70.06570	1.1
71.08572	0.8
72.08147	4.2
78.02715	0.7
78.64702	0.6
79.05482	7.1
81.03423	0.8
81.07047	26.1
83.04977	1.2
83.08612	10.9
85.06539	0.8
89.06059	0.9
91.05463	4.2
93.07034	13.1
94.07334	0.7
95.05003	1.8
95.08597	48.9
96.08949	1.3
97.06509	2.3
97.10144	2.2
99.08125	0.9
105.07026	3.7
107.04918	3.3
107.08582	28.9
109.10146	12.0
111.04447	0.9
111.08074	2.4
119.08572	1.4
121.06464	0.9
121.10130	42.6
122.10418	1.2
123.11691	9.9
125.09682	3.3
131.08527	0.8
133.10155	0.8
135.04314	1.2
135.08046	1.5
135.11679	15.5
137.13240	100.0
138.13586	1.9
139.11162	1.5
145.02867	1.9
149.06017	0.9
149.09633	1.4
149.13232	5.0
151.14790	1.5
163.03859	1.1
165.06905	0.9
167.08559	0.9
177.05438	1.8
177.16379	41.8
177.33653	0.6
178.16747	1.2
180.09277	0.9
195.02840	2.1
195.06543	1.4
195.08308	0.9
195.10104	1.3
195.11684	0.9
195.13779	1.2
195.17426	38.3
196.09796	0.7
196.13298	0.8
196.17680	1.0
207.68756	0.7
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	Oxidized Latia luciferin
Peak:m/z	Relative Intensity
53.03941	1.7
55.01870	3.4
55.05502	7.9
57.03435	1.2
57.07066	12.6
65.03944	1.1
67.05494	9.9
68.99812	0.5
69.03414	2.0
69.07059	13.4
70.06567	1.3
71.01324	1.0
71.04980	2.4
71.08618	1.2
71.75090	0.7
71.75446	0.7
72.08150	1.9
77.03941	0.6
79.05485	9.2
80.51041	0.5
81.03413	2.0
81.07047	33.0
83.04965	1.5
83.08615	9.1
84.08134	2.8
85.02896	0.5
85.06528	2.0
89.03884	0.8
89.06026	1.1
91.05469	6.8
93.07031	20.0
94.07359	0.9
95.04955	2.8
95.08594	54.0
96.08953	0.8
97.06519	6.6
97.10165	1.7
99.04449	0.7
99.08089	1.3
101.05994	0.6
103.05441	1.1
105.07010	5.5
107.04941	6.4
107.08582	32.2
108.08916	0.6
109.06493	1.7
109.10146	12.8
111.04427	0.9
111.08083	2.6
117.03384	1.5
117.07005	1.6
118.98730	0.5
119.08546	2.4
121.02900	0.7
121.06489	2.8
121.10129	44.5
122.10478	0.7
123.08074	1.1
123.11681	6.9
125.05995	0.7
125.09590	3.3
131.08536	1.4
133.02840	0.6
133.10103	1.8
135.04399	1.7
135.08055	2.1
135.11682	19.5
137.05980	0.8
137.13237	100.0
138.13541	1.5
139.03918	0.6
139.07465	0.6
139.11154	1.8
145.02840	2.4
148.97391	0.8
149.05945	1.8
149.09598	2.4
149.13242	7.0
151.07529	0.7
151.11218	0.5
151.14801	1.8
152.06195	0.6
153.05502	1.1
159.11703	1.6
163.03891	3.6
163.07487	0.8
165.06981	2.4
167.07056	1.3
167.08403	1.1
176.55293	0.5
177.05495	4.0
177.09073	2.0
177.12785	2.0
177.16365	43.6
178.16679	1.5
180.09293	1.9
195.02875	3.4
195.06439	1.6
195.07970	1.2
195.10098	1.4
195.11609	2.7
195.13710	1.6
195.17419	38.2
196.09726	1.9
196.17822	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1742
Annotation	Oxidized Latia luciferin
Peak:m/z	Relative Intensity
53.03935	0.7
55.01861	0.4
55.05507	6.2
57.03425	0.8
57.07071	11.8
65.03932	0.5
67.05492	6.3
69.03392	0.7
69.06692	0.8
69.07064	11.4
69.76664	3.6
71.04971	0.6
71.08645	0.5
72.95586	0.5
79.05486	5.4
81.07050	24.2
83.04950	0.7
83.08611	8.6
84.85161	0.4
85.06506	0.9
91.05475	3.3
93.07038	11.5
95.04959	1.2
95.08599	44.9
96.08942	0.6
97.06534	1.0
97.10152	2.1
98.21426	1.0
99.08134	0.9
103.05465	0.7
105.07005	3.3
107.04964	3.5
107.08583	27.6
109.06551	0.8
109.10143	11.5
111.08064	2.4
111.11662	0.8
115.05458	0.5
119.08531	0.6
121.06500	0.6
121.10134	40.4
123.08064	0.6
123.11696	12.3
125.09653	2.3
133.10089	0.6
135.08092	0.8
135.10638	0.8
135.11674	15.1
137.13240	100.0
138.13586	2.3
139.11180	1.9
145.02895	0.6
149.13260	4.0
151.14790	1.7
154.54337	0.5
163.03932	1.1
167.07027	0.8
177.05510	0.8
177.16377	40.8
178.16664	0.8
180.09238	0.6
181.96217	0.5
195.06451	0.5
195.08264	0.6
195.10175	1.4
195.17432	34.7
196.17778	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1742
Annotation	Geranylacetone
Peak:m/z	Relative Intensity
53.03947	13.5
53.98464	2.4
55.01868	16.4
55.05504	34.7
56.05028	3.2
56.96551	6.9
57.03429	14.7
57.07077	12.8
59.36765	2.2
60.04517	3.1
65.03922	5.3
67.05495	32.9
68.05004	5.1
69.03429	27.8
69.07063	60.4
70.06593	15.6
70.47618	2.8
71.01353	3.1
71.04984	11.0
71.75744	2.7
77.03911	3.3
79.05482	52.7
80.05019	6.7
81.03417	19.6
81.04578	3.0
81.07049	78.3
82.07361	3.2
83.04972	13.0
83.06087	3.0
83.08601	17.1
84.04494	2.9
84.08134	28.3
85.02903	7.2
85.06535	15.8
86.09689	3.3
89.03905	15.5
89.06033	8.8
89.42751	2.5
91.05470	33.4
93.07034	76.2
94.06566	4.3
94.07339	2.2
95.04966	12.6
95.06037	2.8
95.08598	80.2
97.02872	4.7
97.06526	9.5
97.10136	15.7
99.08085	70.6
103.05478	9.1
105.03384	3.1
105.07030	14.2
106.06606	2.6
107.04939	46.7
107.08583	91.4
108.08094	2.4
109.02903	4.4
109.06496	9.3
109.10136	17.6
110.07185	2.9
111.04417	8.2
111.08077	23.9
111.11694	3.2
113.09649	8.6
114.05539	4.5
115.02154	11.6
115.05428	5.8
116.98565	2.6
117.03370	27.8
117.07021	19.1
119.01773	3.6
119.08549	4.3
121.02892	2.4
121.06502	34.3
121.10133	99.1
122.09659	4.4
122.10505	3.7
123.04438	3.0
123.11707	10.4
125.02385	3.7
125.04185	3.3
125.05994	10.3
125.09613	48.7
125.94802	2.2
127.03909	3.5
129.10217	3.7
131.04883	3.5
131.08562	18.4
131.97437	2.9
133.02859	7.5
133.06471	5.2
133.10112	5.1
134.03677	6.3
135.04411	21.3
135.08046	55.4
135.09061	5.1
135.11668	26.3
136.07532	4.9
137.05977	8.4
137.09583	2.8
137.13223	25.5
139.03905	4.1
139.11151	7.2
141.05536	2.5
145.02831	52.1
148.97395	5.7
149.05978	36.5
149.09602	47.1
149.10672	4.8
149.13264	7.8
149.97174	4.4
150.05440	3.8
150.06494	3.3
150.09087	5.9
153.05473	15.0
159.08070	2.8
159.11668	3.5
160.07576	2.7
163.03848	14.3
163.07552	8.9
165.05475	8.1
165.06973	6.6
166.08621	3.7
167.05354	2.4
167.07042	13.4
167.08415	5.4
168.06416	2.9
168.10007	2.6
171.98897	3.3
177.03947	4.6
177.05457	80.3
177.09102	20.3
177.12764	4.3
177.16360	100.0
177.44121	2.8
178.05846	6.3
180.09338	5.9
182.41136	2.8
186.05443	3.1
195.03125	17.8
195.04771	10.9
195.06483	30.7
195.08221	10.6
195.10172	54.1
195.11752	6.2
195.14952	68.0
195.17450	24.8
196.09659	13.9
196.16951	6.7
198.94754	3.0
200.67934	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1742
Annotation	Oxidized Latia luciferin
Peak:m/z	Relative Intensity
53.03934	2.1
55.01857	1.9
55.05504	7.8
57.03420	1.5
57.07069	11.2
67.05502	7.2
69.03432	0.9
69.07059	11.4
70.06577	2.2
71.01352	0.7
71.04980	1.9
71.30078	0.8
71.51676	0.7
72.08149	1.1
79.05485	9.0
81.03424	1.4
81.07053	24.3
83.04967	1.9
83.08617	9.0
84.08141	1.7
85.02882	1.2
85.06535	1.3
89.03936	1.5
89.06027	1.0
91.05467	6.5
93.06499	1.3
93.07042	15.2
95.04966	2.7
95.08599	44.8
96.08971	1.0
97.06513	2.9
97.10157	2.9
98.97572	0.8
99.04366	0.7
99.08056	1.3
103.05511	0.9
105.07024	4.7
106.07315	0.7
107.04945	5.9
107.08583	29.6
109.06510	2.9
109.10151	9.8
111.08068	3.2
115.05470	1.3
117.03346	1.9
117.06997	2.1
119.01700	0.9
119.08590	2.2
120.85192	0.8
121.06499	2.6
121.10139	38.7
122.09683	0.9
123.07999	0.7
123.11687	8.9
125.05961	0.8
125.09667	3.8
127.07520	0.8
131.04964	0.9
131.08546	2.4
133.10126	1.0
135.04417	2.2
135.08089	4.2
135.11681	15.9
136.07579	1.0
137.13242	100.0
138.13551	1.5
139.03909	0.8
139.07494	0.7
139.11165	2.2
139.51904	0.7
145.02805	3.6
149.05968	1.2
149.09612	2.4
149.13257	4.6
151.03874	0.7
151.14787	1.7
163.03897	1.2
165.06964	0.9
177.05505	4.8
177.09100	1.9
177.12723	1.8
177.16368	39.0
180.09326	1.1
195.02867	2.8
195.06561	1.5
195.08310	1.1
195.10152	2.2
195.11711	1.5
195.14975	1.6
195.17432	33.5
196.09700	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1378
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
53.03949	4.2
55.01870	5.2
55.05504	18.0
56.96562	3.6
57.03433	5.5
57.07063	3.4
59.36282	1.1
65.03938	3.9
67.05499	57.9
69.03410	2.7
69.07060	15.1
70.06578	2.0
70.40062	1.8
70.40455	3.0
71.01347	1.2
71.04980	6.6
71.95223	1.0
72.08147	2.4
77.03925	0.9
79.05486	45.1
81.03410	22.2
81.07048	100.0
82.07378	1.0
83.04970	23.6
83.08613	8.3
84.08121	1.9
85.02872	2.7
85.06561	4.1
89.03925	1.0
89.06016	1.9
91.05471	29.8
91.06044	1.6
93.07034	63.8
95.04958	11.9
95.08595	43.1
96.08938	1.0
97.02889	1.3
97.06525	13.4
97.10149	1.2
98.06040	1.6
99.04464	1.2
99.08089	1.4
103.05466	1.1
105.07019	13.2
107.04942	7.1
107.08585	26.0
109.06516	7.6
109.10146	3.8
111.04472	1.4
111.08068	6.6
113.09623	1.5
115.05416	1.0
117.03401	2.3
117.07005	14.8
119.08574	4.5
121.02826	1.0
121.06504	8.4
121.10124	9.5
123.08071	2.9
123.11689	1.6
124.50096	0.8
125.05997	2.0
125.09649	1.2
129.06998	2.0
131.08565	14.4
133.10114	17.1
135.04433	1.7
135.08064	6.3
135.11684	27.7
136.04913	1.1
136.12003	1.3
137.05968	1.4
137.09680	1.2
137.13205	1.6
138.61551	0.9
139.07573	1.2
145.02829	2.4
147.11682	1.3
148.07504	0.9
148.97336	1.1
149.05975	3.4
149.09622	3.9
149.13245	16.2
149.97238	1.5
151.11159	3.0
153.09056	1.1
159.11687	16.0
163.03891	3.6
165.07001	3.9
167.08551	2.4
177.05446	5.0
177.09142	1.2
177.12726	13.2
177.16354	1.6
178.08574	1.0
180.09363	2.8
195.02859	6.5
195.06522	2.3
195.08267	1.9
195.11664	7.3
195.13809	16.1
195.15630	2.4
196.09755	2.4
196.16934	1.4
213.08051	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1378
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
53.03933	5.0
55.01853	5.1
55.05504	23.0
57.03439	5.3
57.07058	2.7
59.04972	1.0
65.03925	4.0
66.53947	1.1
67.05495	70.2
69.03416	3.7
69.07061	24.3
70.06562	1.6
71.01335	3.1
71.04979	8.7
71.75159	2.0
73.02898	1.8
77.03885	1.3
79.05483	45.6
81.03405	29.6
81.07046	100.0
83.04974	17.5
83.08603	12.0
84.08128	1.3
85.02863	1.5
85.06521	4.8
87.04438	1.4
89.06005	1.7
91.05470	40.0
93.07031	67.7
94.07367	1.8
95.04955	11.4
95.08592	40.4
97.06522	16.6
97.10134	1.6
99.08064	3.0
103.92099	1.2
105.07014	12.7
107.04951	5.5
107.07911	2.1
107.08586	31.4
109.06509	3.2
109.10127	5.9
111.04401	1.2
111.08077	6.2
113.09647	1.9
113.47657	1.1
115.05437	2.1
117.03422	1.7
117.07008	14.1
119.08560	4.3
121.02843	1.6
121.06487	9.7
121.10132	18.5
123.08045	1.9
123.11702	2.7
125.07085	1.3
129.07019	1.1
131.08556	14.8
133.10106	21.5
135.04396	2.4
135.08055	5.4
135.11681	29.8
137.13242	5.0
139.07486	1.3
145.02805	3.2
147.11700	1.6
149.05916	1.7
149.09587	4.8
149.13245	17.6
149.97166	1.3
150.09184	1.4
151.11180	2.4
159.11693	17.1
163.03845	2.3
165.06976	5.1
167.08568	2.2
173.68755	1.1
177.05446	6.7
177.12743	13.9
177.16364	10.6
178.96924	1.1
179.08505	1.2
180.09328	3.4
186.05516	1.6
186.89674	1.2
195.02879	8.7
195.06512	2.9
195.08412	1.8
195.11606	7.5
195.13789	18.8
195.15536	1.9
195.17421	1.9
196.09654	2.7
196.16948	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1379
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
51.92625	3.2
52.58131	3.4
52.81316	3.0
52.84029	3.6
53.03944	12.4
53.24503	3.3
55.01860	12.4
55.05506	22.8
56.96545	5.7
57.03426	4.7
57.07064	8.2
65.03913	4.4
65.55150	3.3
67.05496	59.8
68.05812	3.3
69.03433	5.8
69.07058	22.9
69.96169	3.9
70.06592	13.6
71.01328	4.3
71.04984	13.0
71.75646	4.0
71.76006	4.0
79.05492	61.5
79.77953	3.4
80.04986	4.4
81.03399	34.9
81.07053	100.0
83.04968	26.7
83.08614	9.8
84.04476	3.8
84.08136	6.9
85.02885	9.6
85.06501	7.2
87.04455	3.5
89.03915	11.6
89.06029	16.2
91.05466	40.8
93.07037	97.8
95.04398	3.4
95.04965	13.7
95.08603	61.6
97.06519	18.3
103.05463	5.8
105.07017	20.1
106.06559	4.0
107.04961	16.8
107.08591	51.1
109.02842	5.9
109.06516	22.4
109.10149	6.9
109.53307	3.8
111.08086	8.6
115.02141	9.8
117.03384	12.2
117.07031	15.7
119.08591	7.7
121.02872	8.9
121.06512	22.7
121.10154	18.9
122.06028	5.4
125.06012	4.3
125.09650	5.1
131.08582	14.0
133.10150	19.8
135.04399	9.2
135.08064	12.6
135.11685	58.4
136.07597	4.7
137.05972	5.9
139.03964	4.3
139.07495	23.8
145.02794	28.7
145.10155	8.0
148.97446	6.3
149.05991	15.5
149.09550	7.5
149.13248	19.5
149.97237	10.8
150.05476	6.0
150.09094	3.9
152.08337	6.4
153.05405	4.9
159.11720	17.5
163.03909	9.8
163.07503	4.3
163.11179	13.3
165.07050	11.1
166.08847	3.9
167.07021	6.2
168.06497	3.7
171.98943	4.3
172.98827	4.4
173.83299	3.7
174.11850	3.9
177.05464	46.5
177.09094	3.6
177.12708	21.4
177.16399	7.3
178.08687	5.8
179.08569	4.4
180.09378	8.1
195.02972	20.6
195.04803	8.6
195.06548	26.1
195.08305	13.9
195.10051	5.7
195.11720	13.3
195.13782	87.5
195.15613	7.2
196.05986	8.7
196.09679	18.9
196.16975	11.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1378
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
53.03944	9.1
55.01861	6.0
55.05510	21.0
55.46508	1.6
56.96558	4.9
57.03420	5.2
57.07065	5.0
65.03935	5.7
67.05499	63.7
68.05009	5.8
68.99775	4.1
69.03413	4.1
69.07055	22.4
70.06597	9.3
70.18486	9.6
71.01338	3.5
71.04986	9.2
73.02885	2.1
79.05486	49.1
80.05016	3.6
81.03408	22.3
81.07045	100.0
82.07374	2.4
83.04974	16.4
83.08611	10.9
84.08109	10.2
85.02864	2.3
85.06513	5.8
85.10186	2.2
89.03896	4.3
89.06004	7.2
91.05476	44.3
93.07034	72.1
95.04953	12.9
95.08593	40.8
97.02851	3.4
97.06527	12.9
98.05980	2.0
100.02486	2.1
103.05460	3.9
105.04521	2.3
105.07018	18.0
106.04125	2.2
106.06559	2.4
107.04964	13.6
107.08583	29.9
109.02897	2.2
109.06528	4.2
109.10133	5.9
111.04439	5.3
111.08067	5.8
115.02170	5.5
115.05450	2.1
117.03365	10.2
117.06992	13.1
119.08543	2.9
121.06521	13.5
121.10117	13.7
123.04418	2.0
123.11687	4.6
125.07125	2.2
125.09625	4.4
127.48046	2.0
129.06969	3.2
130.96291	4.2
131.04939	1.8
131.08546	14.5
133.06474	4.4
133.10121	23.7
135.04399	4.7
135.08032	7.8
135.11676	35.5
139.03831	2.7
145.02853	13.8
148.07489	2.2
148.97342	5.7
149.05942	9.0
149.09625	4.9
149.13257	18.2
149.97208	4.6
150.09151	4.8
151.11218	2.6
153.05423	2.4
153.09102	4.8
159.11684	15.5
162.09100	2.0
163.03900	8.4
163.07634	2.8
165.06947	5.8
167.07118	3.2
167.08542	4.9
168.13850	4.3
171.98917	3.8
177.05458	20.7
177.12682	12.2
177.16301	2.3
178.08597	4.3
180.09335	6.8
195.02966	15.2
195.04802	5.0
195.06541	12.7
195.08331	4.8
195.10081	3.5
195.11624	8.4
195.13803	18.4
195.15424	3.7
196.06068	4.6
196.09633	11.3
196.16956	4.4
213.07657	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1379
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
53.03931	5.4
55.01863	3.0
55.05503	15.0
56.96549	2.6
57.03419	4.3
57.07075	2.7
63.02769	1.2
65.03915	3.2
67.05496	56.6
69.03408	3.1
69.07063	13.0
69.96175	1.4
70.06570	2.7
70.76283	1.2
71.01343	4.3
71.04982	6.1
71.42013	1.5
71.42384	1.8
73.02899	1.6
79.05483	41.3
80.05009	2.2
81.03413	17.4
81.07046	100.0
82.05344	1.3
83.04970	15.7
83.08612	11.0
84.04473	1.4
84.08146	6.8
85.02883	3.0
85.06534	4.7
87.04437	1.8
89.06010	4.3
91.05466	27.4
91.31425	1.3
93.07031	62.3
94.06584	1.7
95.04945	11.4
95.08596	45.5
97.06522	12.9
97.10134	1.6
99.08076	3.9
103.05456	2.9
105.07010	12.1
106.06557	1.6
107.04917	3.8
107.08579	27.1
109.02839	1.6
109.06514	6.4
109.10117	4.1
109.98954	1.3
111.08046	7.5
113.05943	1.4
113.09621	2.0
115.02165	4.4
117.03345	2.7
117.06997	13.1
118.03573	1.4
119.08551	3.2
121.06479	9.7
121.10134	12.0
123.08041	1.9
131.08546	13.7
133.10121	13.9
134.06091	1.4
135.04419	2.0
135.08070	6.7
135.11674	35.4
137.13226	1.9
139.03891	1.6
145.02827	7.5
148.97337	4.4
149.05949	5.2
149.09589	3.2
149.13229	20.6
149.97226	3.1
150.05493	2.0
150.09103	2.4
151.11139	2.6
153.05426	1.8
153.97844	1.4
157.10135	1.4
159.11693	20.2
163.03894	4.5
165.06973	2.5
167.03300	1.5
167.05202	1.8
167.06958	2.0
167.08424	1.6
171.98895	1.6
177.05461	13.2
177.06866	1.9
177.08987	1.7
177.12726	17.5
177.16333	1.5
178.08653	1.4
180.09375	2.2
195.03043	8.8
195.04767	4.1
195.06514	7.8
195.08247	5.0
195.10118	3.0
195.11670	5.0
195.13802	18.7
195.15605	2.6
195.17401	1.6
196.06088	2.1
196.09723	6.0
196.16945	4.9
213.81557	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1379
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
52.08762	1.6
53.03944	7.2
55.01863	8.3
55.05505	20.0
56.96559	3.0
57.03422	8.0
57.07067	3.3
65.03938	3.4
67.05499	74.8
68.47604	1.4
68.96319	1.9
69.03442	2.4
69.07066	15.3
70.06572	3.4
71.01331	3.0
71.04977	7.1
71.75258	1.8
73.02887	1.7
77.03956	2.5
79.05486	54.1
81.03416	22.1
81.07051	100.0
82.07359	2.3
83.04974	32.8
83.08605	10.1
84.08134	3.1
85.02890	1.4
85.06549	4.2
87.04436	2.5
89.03911	4.1
89.06017	7.9
89.70222	1.4
91.05477	37.4
93.07037	78.3
94.06574	2.1
95.04955	17.1
95.08603	50.8
97.06516	19.3
98.09106	1.3
99.08061	2.3
100.02459	1.4
103.05446	3.7
105.07008	14.6
106.06599	2.1
107.04935	8.2
107.08590	32.4
109.02866	1.8
109.06532	8.2
109.10151	3.9
111.04459	3.2
111.08096	8.0
114.81447	1.3
115.02158	3.3
115.27303	1.5
117.03387	6.5
117.07002	16.2
119.08591	4.7
121.06479	11.1
121.10120	13.1
123.08047	2.8
129.07051	2.2
131.08553	18.0
133.10115	16.9
135.04424	4.2
135.08044	8.0
135.11685	31.9
135.12653	2.9
136.12106	1.4
137.13290	2.1
145.02811	10.0
147.11633	2.1
148.97359	2.9
149.05988	6.4
149.09584	3.4
149.13242	17.3
149.97215	2.8
151.03903	1.8
151.11183	1.9
159.11693	19.5
163.03891	3.9
164.11319	1.5
165.06949	7.1
167.07019	2.7
172.98804	1.8
177.05478	15.5
177.06891	2.2
177.12753	14.1
177.16331	1.9
178.08641	2.7
180.09348	5.6
181.34294	1.5
193.72800	1.6
195.02979	9.0
195.04698	2.4
195.06596	7.7
195.08192	3.7
195.10126	2.9
195.11678	10.3
195.13821	23.0
195.15733	4.9
196.05998	1.8
196.09630	7.3
196.17014	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1014
Annotation	Isopygmaein
Peak:m/z	Relative Intensity
51.04529	0.6
52.98519	0.7
53.03940	4.0
55.01870	4.4
55.05508	21.9
56.73582	0.7
57.03435	1.6
57.07084	1.0
64.25706	0.7
65.03912	1.5
67.01863	5.4
67.05501	5.3
67.78157	0.8
68.99784	3.5
69.03421	19.8
69.07064	19.9
69.48493	7.4
70.06577	2.1
71.01340	0.9
71.04981	1.6
72.08121	1.4
79.05486	12.0
81.03408	3.1
81.07047	8.5
82.04174	1.0
83.04970	6.5
84.08102	1.3
85.02878	1.8
85.06511	1.2
89.03899	1.4
89.06018	1.4
91.05475	13.5
93.03380	1.2
93.07037	17.9
94.04145	1.3
95.01283	1.5
95.04961	6.0
95.08591	8.0
97.02882	6.3
97.06526	8.1
99.04411	2.2
103.05449	1.7
104.06223	0.8
105.04498	0.8
105.07021	4.1
107.04945	8.1
107.08587	11.3
109.02898	0.9
109.06526	3.7
109.10123	1.1
111.04434	10.9
111.08069	2.3
112.05217	6.7
113.05980	4.3
115.05421	2.5
117.03362	1.2
117.07018	7.9
119.03431	0.7
119.08553	2.6
121.02795	1.7
121.06500	8.0
121.10125	3.6
123.08051	2.8
125.02341	81.2
125.05959	7.3
125.09618	3.5
126.02621	0.9
127.03908	2.7
131.08575	2.4
135.04359	3.5
135.08034	7.8
135.11668	5.3
136.08780	1.4
137.05957	1.4
139.03883	3.4
139.07454	1.1
139.11121	0.8
140.04669	53.0
141.05455	23.6
145.02820	1.7
148.97330	1.1
149.05945	1.1
149.09612	7.8
149.13210	2.0
149.97202	0.7
151.07518	1.7
151.11214	0.8
152.06166	0.9
152.14276	1.1
153.05455	17.2
153.09084	16.5
159.11743	1.4
163.03891	2.1
163.07524	2.7
165.05603	1.0
165.06975	1.9
166.06297	1.1
167.07109	1.0
167.08502	1.2
167.10645	4.2
177.05450	3.7
177.09071	4.0
177.12700	1.2
177.16377	1.9
179.08682	0.8
180.09326	1.2
195.02933	5.4
195.06456	2.5
195.10153	100.0
196.10442	3.1
196.17003	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1378
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
53.03935	4.8
55.01866	5.3
55.05508	17.1
56.96564	9.5
57.03428	5.2
57.07061	2.8
65.03941	3.9
67.05499	52.5
68.99811	2.1
69.03428	3.3
69.07063	13.7
70.00349	6.9
70.06577	2.3
71.01362	2.5
71.04990	6.3
79.05021	2.1
79.05486	40.0
81.03423	9.7
81.07051	100.0
82.07392	2.4
83.04973	14.5
83.08612	9.3
84.08142	2.5
85.06541	3.7
89.06006	2.1
91.05474	31.9
93.07038	65.3
94.07365	1.6
95.04951	10.7
95.08599	40.0
97.06519	13.2
97.10151	1.9
98.20756	1.4
99.08096	1.8
99.39577	1.1
104.09924	1.2
105.07023	11.7
107.04933	4.1
107.08586	27.6
109.06491	3.8
109.10124	6.2
111.04461	2.3
111.08081	6.3
113.09635	1.5
115.05447	3.7
117.03351	1.3
117.07005	15.8
118.97036	1.3
119.08596	5.4
121.02888	1.4
121.06517	6.3
121.10146	11.5
121.65724	1.3
123.08065	8.1
125.02351	6.6
125.05995	1.6
129.03862	2.1
131.08580	11.5
133.10121	15.1
135.04442	1.6
135.08086	6.8
135.11679	34.9
136.12105	1.2
137.09592	1.6
145.02814	1.9
148.97337	1.6
149.05968	1.4
149.09612	3.5
149.13242	18.4
151.11174	2.2
153.05511	3.5
153.08981	1.6
155.57916	1.2
159.11697	17.1
165.05739	1.8
165.06967	8.4
166.06287	2.0
166.07632	1.7
167.08556	1.9
174.08015	3.8
174.58231	2.0
177.05447	5.7
177.12733	13.1
177.16347	1.7
180.09351	6.3
183.08591	1.6
185.58788	1.4
193.32393	1.2
194.59341	1.5
195.02972	5.9
195.06548	1.8
195.08623	1.7
195.10161	45.5
195.11728	17.1
195.13820	18.1
195.15553	1.7
196.09691	2.5
211.06502	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	195.1379
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
53.03939	6.2
54.12397	1.2
55.01853	5.0
55.05236	1.4
55.05504	21.4
56.96549	4.1
57.03421	5.4
57.07057	5.0
57.59892	1.0
65.03922	5.0
65.43170	1.2
67.05499	66.6
68.05824	1.5
69.03412	4.5
69.07056	16.9
70.06577	3.3
71.01343	2.5
71.04987	8.7
71.08638	1.2
72.93755	1.8
73.86615	1.1
77.03927	1.2
79.05486	52.9
80.05018	1.4
81.03406	19.0
81.07049	100.0
82.07327	1.4
83.04974	26.8
83.08609	10.5
85.02877	2.2
85.06512	3.8
87.04462	1.3
88.60261	1.4
89.03900	1.4
89.06032	5.6
91.05474	41.5
93.07036	71.6
95.03306	1.2
95.04957	13.4
95.08595	42.3
95.09197	2.2
96.08905	1.6
97.06512	16.6
98.06001	1.1
99.04478	1.4
99.08062	1.7
103.05486	1.2
104.27445	1.3
105.07012	15.4
107.04967	10.1
107.08578	28.6
108.08121	1.2
109.06529	8.0
109.10139	4.7
111.08054	7.5
113.09661	1.8
115.05460	1.4
117.03334	3.7
117.07006	15.0
118.18858	1.1
119.08555	5.3
121.06487	7.8
121.10149	13.0
123.08073	3.4
123.11719	2.3
125.05948	1.5
125.09590	2.3
128.83182	1.2
130.07753	1.2
131.08553	17.5
133.08585	1.3
133.10123	16.9
134.03546	1.2
135.04430	1.6
135.08063	6.8
135.11687	31.4
136.07632	1.2
137.09651	1.4
137.13223	2.6
139.07474	2.0
139.11263	1.4
145.02798	6.7
148.97340	2.2
149.02353	1.6
149.05963	2.8
149.09605	3.9
149.13245	18.0
149.97179	3.4
150.09111	1.2
151.11157	2.0
152.06262	1.2
159.11693	18.1
163.03894	3.6
165.06956	8.6
167.07050	2.1
167.08575	2.4
168.10196	1.5
171.98897	1.8
172.98802	1.7
177.05437	9.0
177.08978	1.4
177.12715	14.2
177.16342	2.9
178.08682	1.2
179.08633	1.5
180.09341	9.3
195.02831	13.3
195.06505	3.9
195.08261	5.0
195.10097	3.1
195.11668	12.9
195.13789	19.7
195.15733	3.5
195.17355	1.6
196.09659	4.2
196.16930	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	195.065
Annotation	2,4,8-Trihydroxy-1-tetralone
Peak:m/z	Relative Intensity
53.03950	2.7
55.01868	1.5
55.05506	2.0
56.05022	0.9
56.96547	1.0
57.03428	1.0
57.07075	1.1
59.06126	0.5
60.84301	0.5
63.02374	0.7
65.03941	2.1
66.21008	0.6
67.05495	3.5
68.05018	0.8
68.96348	0.6
68.99781	0.9
69.03428	1.2
69.07058	1.9
69.51582	0.5
69.70066	3.6
70.06580	6.6
71.01342	0.7
71.04982	1.1
72.08155	0.8
78.04681	1.0
79.05486	9.8
80.05005	1.2
80.22029	0.5
81.03402	4.7
81.04512	0.5
81.07044	4.6
82.06582	1.0
83.01289	0.7
83.04967	2.5
83.06051	1.1
83.08619	1.0
84.08127	8.9
85.02889	0.8
86.09690	0.9
89.03906	29.0
89.06036	2.1
90.04270	0.9
91.05464	9.7
93.03395	1.6
93.07030	7.4
95.04951	5.1
95.06075	0.5
95.08605	2.1
96.05614	0.5
96.26099	0.5
96.84460	0.5
97.02875	0.7
97.06522	1.1
97.56943	0.5
98.06062	0.6
102.58159	0.5
103.05448	3.9
104.01691	0.5
105.03374	1.3
105.07008	4.4
106.04175	2.2
107.04941	22.6
107.07822	0.6
107.08566	3.6
108.04550	0.7
109.02878	1.2
109.06508	1.8
109.07635	1.2
109.10147	0.5
109.98987	1.0
110.03582	0.6
111.04426	4.2
111.08102	0.9
114.05576	0.7
115.02094	2.9
115.05457	1.9
117.03363	55.9
117.06994	0.8
118.03729	1.2
119.04916	1.7
121.02847	1.4
121.06479	5.2
121.10104	2.6
122.06033	0.8
123.04433	0.9
123.08060	0.7
123.11677	0.6
124.05206	1.3
124.52602	0.6
125.02372	0.7
125.05999	3.8
130.08644	0.7
131.04907	1.6
131.08559	1.4
133.02820	3.4
133.06494	1.9
133.10097	0.7
134.03619	8.1
135.04401	15.2
135.08032	7.6
135.11642	1.1
136.04990	0.9
136.08661	0.6
137.05960	2.8
137.13257	1.5
138.06612	0.9
139.03885	1.2
139.07530	0.9
145.02827	90.8
146.03191	2.8
147.04381	1.3
148.97307	2.3
149.05965	28.1
149.09593	2.7
149.13208	1.3
150.03076	0.9
150.06490	0.9
150.09138	1.2
151.03851	0.7
151.07515	0.6
151.11205	0.6
153.05446	9.8
154.06148	0.9
158.05986	0.8
159.11722	0.7
162.03113	2.3
163.03891	13.1
163.07579	4.8
165.05467	2.3
165.07001	1.8
167.03389	0.7
167.05421	0.7
167.07021	7.2
167.08356	0.8
171.98947	1.4
177.05446	100.0
177.08966	2.1
177.16354	0.9
178.05797	3.7
178.08478	0.8
180.07936	1.1
180.09341	1.6
186.05481	3.6
195.02837	3.5
195.04704	2.8
195.06422	6.8
195.08496	1.5
195.10132	5.8
195.11717	2.1
195.14984	4.2
196.09641	3.7
210.50757	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0651
Annotation	2,4,8-Trihydroxy-1-tetralone
Peak:m/z	Relative Intensity
53.03940	3.0
55.01867	1.7
55.05500	1.7
56.05022	0.7
56.96556	0.7
57.03424	1.4
57.07073	0.9
59.06125	0.4
60.04496	0.5
63.02365	1.5
65.03918	1.0
67.05500	3.0
68.05009	0.7
68.96327	0.6
69.03422	1.6
69.04539	0.4
69.07060	1.3
70.06638	4.7
70.84086	0.5
71.01329	0.6
71.04972	0.6
72.08118	0.9
75.31431	0.4
77.03889	0.5
78.04715	1.2
79.05486	7.9
80.04998	0.8
81.03411	5.0
81.07047	2.9
82.06581	0.8
83.04962	1.7
83.06110	1.0
83.08639	0.7
84.08137	8.1
85.02898	0.9
85.06525	0.7
86.09712	0.9
89.03908	28.0
89.06026	1.2
91.05470	7.7
91.62949	0.6
93.03403	0.9
93.07032	8.3
95.04961	4.0
95.06051	0.7
95.08588	2.0
96.08134	0.6
97.06514	0.9
97.07632	0.7
98.20753	0.5
98.97540	0.7
99.05595	0.8
100.05058	0.5
101.10697	0.5
103.05457	3.0
105.03361	0.8
105.07034	3.4
105.31577	0.4
106.04173	2.2
106.06554	0.9
107.04955	7.6
107.08577	6.2
108.05656	0.5
109.02869	1.3
109.06502	1.4
110.07197	0.5
111.04424	2.9
111.05524	0.7
111.08073	1.6
115.02160	4.1
115.05453	0.7
117.03368	52.6
117.07020	1.8
118.03684	1.2
119.04930	0.6
119.08591	0.5
121.06490	6.9
121.10152	2.5
122.06026	0.6
122.07061	0.6
123.04462	0.8
124.05167	1.5
125.05981	2.7
129.10149	0.6
130.08592	0.9
130.96297	0.7
131.04945	1.1
131.08574	3.4
133.02827	1.0
133.06471	1.1
134.03621	9.8
134.05917	0.5
135.04408	10.8
135.08043	7.3
135.11652	2.1
136.04988	1.4
136.08626	0.9
137.06003	0.9
137.13249	0.6
138.06667	0.7
139.03815	0.8
139.07513	1.1
145.02832	90.7
146.03162	1.8
147.04359	0.8
148.97304	1.4
149.05965	27.2
149.09596	4.7
149.13181	0.7
149.97234	0.5
150.06519	1.0
150.09087	0.9
152.06096	0.6
153.01787	0.7
153.05438	3.4
153.09094	0.8
158.06024	1.2
159.11652	0.7
161.05803	0.5
162.03136	3.0
163.03894	12.4
163.06195	0.5
163.07629	0.9
165.05573	0.9
165.06982	2.3
167.05234	1.3
167.07008	2.4
167.08328	0.6
168.88541	0.5
171.98888	0.8
177.05453	100.0
177.12733	0.9
177.16322	1.0
178.05862	2.1
178.08511	0.8
178.09868	0.7
180.09491	0.7
183.33336	0.5
186.05453	4.8
195.02985	3.9
195.04721	2.4
195.06427	6.3
195.08472	2.2
195.10152	5.0
195.11751	2.0
195.15773	1.0
196.09671	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	195.0651
Annotation	2,4,8-Trihydroxy-1-tetralone
Peak:m/z	Relative Intensity
53.00299	0.4
53.03948	2.5
53.43031	0.6
55.01865	1.7
55.05506	1.3
56.96581	0.7
57.03425	0.7
57.07052	0.8
60.47906	0.4
61.43038	0.4
63.02369	0.9
65.03938	1.8
67.05499	1.8
68.99781	0.9
69.03416	1.0
69.07062	1.6
70.06593	1.8
70.98196	1.2
71.01351	0.6
72.65304	0.5
77.03931	0.7
78.04716	1.6
79.05488	6.0
80.04997	0.8
81.03416	3.3
81.07050	3.7
83.04984	1.4
83.08626	0.7
84.04431	0.5
84.08136	5.5
86.09659	0.6
89.03909	26.1
89.06020	1.6
90.04250	0.7
91.05479	5.9
93.03410	1.4
93.07033	4.1
95.04961	3.6
95.08592	2.8
97.06528	0.7
98.06078	0.5
103.05456	3.0
105.03374	0.9
105.04459	0.5
105.07025	1.7
106.04171	1.9
107.04944	7.4
107.08594	2.7
109.02866	1.1
109.06506	0.8
110.07125	0.7
111.04437	3.8
115.02157	3.4
117.03371	46.9
117.06992	0.8
118.03669	1.2
119.04942	1.3
121.02925	0.9
121.06521	4.3
121.07358	0.8
121.10139	1.9
122.03634	0.8
122.07214	0.6
123.04405	1.1
124.05205	1.2
125.05994	3.2
129.10239	0.7
131.04903	2.0
131.08524	0.9
132.08095	0.5
133.02831	13.2
133.06477	0.5
133.10080	0.6
134.03650	8.2
134.05968	0.7
135.04411	14.2
135.08006	1.8
135.11665	1.6
137.05997	5.1
137.09677	0.9
138.06590	0.6
139.03877	0.8
145.02834	82.1
146.03185	1.9
146.07309	0.6
148.97382	0.6
149.05968	22.9
149.09599	1.3
149.13286	0.6
150.03078	2.0
150.06465	0.9
150.09091	0.7
151.54413	0.6
153.05453	5.1
153.09137	0.6
158.06033	1.3
162.03113	2.2
163.03905	12.1
164.04430	0.6
165.05460	7.3
165.06987	1.6
167.07005	2.6
167.08417	0.8
177.05455	100.0
177.16249	1.0
178.05869	3.2
178.08606	0.8
179.08705	0.6
180.09291	1.3
186.05467	4.6
195.03087	3.1
195.04735	2.2
195.06410	5.9
195.08247	1.3
195.10100	1.7
195.11693	1.4
195.15562	0.7
196.09650	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	195.0651
Annotation	2,4,8-Trihydroxy-1-tetralone
Peak:m/z	Relative Intensity
53.03940	2.7
53.78998	0.5
55.01863	1.4
55.05506	1.2
56.05033	1.0
56.96562	1.0
57.07071	0.9
57.69589	0.4
60.04518	1.3
63.02376	0.7
65.03949	0.6
67.05498	3.2
68.05038	1.3
68.96337	0.5
69.03436	0.7
69.04519	0.6
69.07054	1.6
70.06583	3.1
70.94277	0.4
71.01348	0.7
71.04985	0.7
71.31904	0.8
71.32226	0.5
72.04485	0.4
78.04697	1.2
79.05486	4.1
80.05000	1.3
81.03410	5.8
81.04539	0.6
81.07059	2.7
83.04973	3.3
83.06096	1.0
83.08571	0.6
84.04488	1.1
84.08138	7.3
85.02883	0.9
86.09712	1.4
89.03906	27.7
89.06027	2.1
90.04257	0.6
91.05464	5.4
93.07029	3.2
95.02462	0.5
95.04954	2.7
95.06104	0.7
95.08601	1.7
96.04477	0.5
97.06525	1.2
98.06028	0.8
99.05587	0.5
102.38380	0.4
103.04858	0.6
103.05459	3.4
105.04523	0.5
105.07011	2.0
106.04177	1.9
106.06532	1.3
107.04938	3.7
107.08594	2.7
108.05561	0.6
109.02872	1.9
109.06499	1.2
109.07614	0.9
109.10177	0.6
109.98930	0.6
110.07147	0.5
111.04440	2.4
111.05567	1.2
111.09224	0.8
112.05099	0.9
114.05552	1.4
115.02126	5.3
117.03367	45.2
118.03715	1.0
119.04932	1.0
120.08149	0.4
121.02827	0.8
121.06493	4.3
121.10129	1.6
122.06018	0.6
122.07127	0.6
123.04398	0.9
124.05131	2.5
125.05972	0.9
129.04424	0.5
129.10194	1.0
130.08647	1.0
131.04907	1.0
131.08524	0.9
133.02794	0.6
134.03629	7.9
134.05930	0.5
135.03618	0.4
135.04404	10.7
135.08006	1.7
135.11684	1.1
136.04988	0.9
137.05949	0.9
138.06589	0.7
139.03888	1.4
140.18680	0.5
141.11745	0.5
145.02829	88.2
146.03148	1.9
147.04349	0.8
148.97319	1.8
149.05960	25.2
149.09605	1.4
149.97227	0.7
150.06540	1.1
150.09145	1.7
153.05478	2.2
153.97964	0.7
154.06090	0.7
158.05978	0.8
159.11633	0.4
161.07147	2.4
162.03110	2.0
163.03888	10.6
165.06996	0.8
167.03432	0.7
167.05228	0.9
167.07047	1.1
167.08524	0.5
171.98921	0.8
172.10747	0.5
177.05447	100.0
177.08893	1.9
177.16368	0.8
178.05908	2.6
178.09746	1.9
180.09302	0.8
185.30098	0.4
186.05489	2.3
195.02846	2.6
195.04735	3.5
195.06493	5.2
195.08371	2.4
195.10172	1.2
195.11775	1.4
195.15726	1.0
196.05891	0.5
196.09570	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	195.065
Annotation	2,4,8-Trihydroxy-1-tetralone
Peak:m/z	Relative Intensity
51.02367	0.6
53.03945	2.3
55.01872	1.3
55.05510	1.6
56.05038	0.7
56.96560	1.1
57.03437	0.9
57.07057	0.8
63.02375	0.7
65.03938	1.8
67.05508	3.2
68.99771	0.7
69.03419	1.0
69.07069	1.9
70.06580	2.9
71.01346	0.8
71.74936	0.7
77.03953	0.7
78.04717	1.8
79.05486	8.1
80.05033	0.6
81.03387	4.1
81.07044	4.6
83.04959	2.4
83.06096	0.6
84.08129	7.0
85.02895	0.9
89.03905	29.1
89.06029	1.6
90.04238	0.5
91.05476	6.2
93.03402	1.5
93.07039	4.7
94.04173	0.6
95.04957	4.9
95.06027	0.6
95.08590	3.1
97.06525	1.5
98.06017	1.3
103.05454	4.2
105.03394	1.9
105.07015	1.9
106.04162	2.6
106.06560	0.9
107.04944	10.1
107.08548	3.6
107.51124	0.9
109.02865	1.1
109.06516	1.4
109.10142	0.5
110.07148	1.0
111.04435	4.2
111.08009	1.2
114.05532	1.1
115.02154	1.7
115.05496	1.3
117.03365	54.4
117.07021	1.0
118.03639	1.5
119.04939	1.8
119.08588	0.6
121.02867	0.9
121.06483	5.4
121.10137	3.1
122.03625	0.6
122.06054	0.8
123.04431	1.1
124.05219	1.6
125.02403	0.9
125.05973	3.6
131.04922	2.1
133.02837	18.3
133.06451	0.8
134.03630	9.0
134.99706	0.5
135.04399	16.1
135.08014	2.7
135.11670	3.0
136.05112	0.7
137.05972	6.5
137.13286	0.6
137.15265	0.5
138.06590	0.6
139.03859	0.8
139.07524	0.8
145.02831	88.0
146.03162	2.3
146.07243	0.9
146.68265	0.6
147.04434	0.8
148.97368	1.4
149.02354	0.8
149.05966	26.6
149.09584	1.6
149.13228	0.7
149.97282	0.6
150.03091	3.7
150.06491	0.7
150.09158	1.1
151.03889	0.7
152.04546	0.8
152.06209	0.7
153.05472	5.2
158.06020	1.2
159.11690	1.0
159.49670	0.6
160.05185	0.8
161.39609	0.5
162.03113	2.6
163.03893	11.2
163.07579	1.0
165.05464	11.1
165.06975	2.9
167.05191	0.6
167.07024	2.8
167.08557	1.3
171.54239	0.8
171.98962	0.8
177.05449	100.0
177.12706	1.3
177.16400	1.5
178.05812	3.1
178.08566	0.9
180.09309	1.8
185.54048	1.1
186.05476	5.1
192.13663	0.5
195.02919	5.1
195.04716	1.1
195.06482	6.6
195.08374	1.9
195.10170	1.3
195.11623	2.6
195.15570	0.8
195.17368	1.0
196.09676	2.7
197.01115	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.065
Annotation	2,4,8-Trihydroxy-1-tetralone
Peak:m/z	Relative Intensity
51.48611	0.5
53.03951	2.1
53.63880	0.5
55.05513	0.8
57.07075	0.6
59.46484	0.5
63.02376	1.1
65.03941	0.7
66.94114	0.6
67.05502	1.5
68.05018	0.7
69.07063	0.7
70.06594	2.2
70.86501	0.9
70.86877	1.1
72.08171	0.6
78.04710	0.8
79.05487	3.0
81.03416	3.4
81.04578	0.7
81.07053	1.9
82.06564	0.6
83.04970	1.5
84.04495	0.7
84.08132	3.2
89.03905	32.3
90.04266	0.6
91.05478	4.3
93.03403	0.9
93.07037	2.3
95.04957	2.6
95.08623	1.7
97.02907	0.6
97.06526	1.1
101.41429	0.6
103.05455	1.7
105.03371	0.6
106.04164	2.5
106.06553	0.9
107.04945	3.7
107.08596	1.6
109.02860	0.6
109.06466	0.8
110.07160	1.0
111.04454	1.3
111.05580	0.8
115.02175	1.3
117.03368	60.5
118.03626	0.8
119.04919	0.9
121.02870	0.6
121.06490	2.6
121.10114	1.2
122.05989	0.6
124.05145	1.0
125.06021	1.4
131.04881	0.9
134.03622	10.4
135.04411	11.1
135.08003	1.1
137.09505	0.5
137.13200	1.0
145.02834	97.9
146.03226	2.5
148.97411	1.0
149.05966	28.7
149.09557	0.6
150.06422	0.7
150.09094	0.6
150.10234	0.6
153.05449	1.5
162.03098	2.6
163.03889	11.1
165.07021	1.4
167.05544	0.6
167.07013	1.6
167.08459	0.6
168.07651	0.7
171.98796	0.7
177.05447	100.0
177.16341	0.6
178.05768	2.6
180.09378	0.9
186.05513	3.0
195.02879	2.1
195.04752	1.2
195.06487	2.8
195.08252	1.0
195.10080	0.7
195.11641	1.0
195.15891	0.7
196.09647	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0652
Annotation	2,4,8-Trihydroxy-1-tetralone
Peak:m/z	Relative Intensity
50.89407	0.4
53.03945	1.4
55.01870	1.1
55.05491	0.4
56.05041	0.5
57.03409	0.4
57.07034	0.4
63.02381	0.7
65.03934	1.3
67.05495	0.8
69.07061	0.6
70.06579	1.5
71.74483	0.8
73.06667	0.4
75.23940	0.4
78.04704	1.4
79.05481	3.3
80.05020	0.6
81.03408	2.2
81.07051	1.7
83.04981	0.9
83.06118	0.4
84.08130	3.2
85.02887	0.7
86.09701	0.4
88.69791	0.4
89.03908	32.2
89.05993	0.6
90.04266	0.6
91.05467	4.3
93.03403	0.7
93.07016	2.7
95.04984	2.3
95.06050	0.5
95.08601	0.6
97.02893	0.5
98.07105	0.4
102.92305	0.4
103.04854	0.5
103.05439	2.6
105.07027	0.9
106.04164	2.4
106.06544	0.6
107.04941	4.9
107.08576	1.1
109.02880	0.5
109.06512	0.5
111.04423	2.6
115.02164	1.2
117.03366	55.2
118.03722	1.2
119.04938	0.9
121.01109	2.1
121.06487	3.2
121.10123	0.8
123.04429	0.8
124.05199	1.0
125.05988	1.6
130.08562	0.4
131.04890	0.5
133.02843	0.7
134.03616	9.9
135.04399	11.5
135.08057	0.7
135.11670	0.8
136.08672	0.6
137.05905	0.5
138.06606	0.5
139.03903	0.6
145.02831	91.8
146.03162	2.1
147.04356	0.6
148.07552	0.5
148.97328	0.7
149.00548	1.9
149.05965	25.2
149.09500	0.8
150.06363	0.9
150.09146	0.5
153.05470	4.1
158.05937	0.4
162.03123	2.7
163.03886	12.9
165.06970	0.7
167.07047	1.0
171.98930	0.6
177.05449	100.0
178.05789	3.6
179.12723	0.5
180.09311	0.5
186.05492	3.3
191.14520	0.4
195.01094	6.3
195.02875	1.7
195.04761	1.1
195.06465	3.6
195.08168	0.8
195.10176	0.9
195.11803	0.5
196.09686	0.8
214.19640	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0651
Annotation	2,4,8-Trihydroxy-1-tetralone
Peak:m/z	Relative Intensity
53.03939	1.7
53.23897	0.4
55.01868	1.7
55.05507	1.2
56.05027	0.9
57.03429	0.8
57.07071	0.7
60.04528	0.5
63.02377	1.0
65.03947	1.0
67.05505	2.5
68.05000	1.1
68.96321	0.7
69.03419	1.0
69.07069	1.2
70.06578	5.2
71.04974	0.7
71.65791	0.8
71.66120	0.7
72.08134	0.6
78.04702	1.1
79.05480	4.7
80.05005	0.5
81.03396	4.1
81.03732	0.4
81.07054	4.4
82.06569	0.7
83.04971	2.1
83.06084	0.6
83.08607	0.5
84.04485	0.7
84.08135	7.6
85.02906	0.8
86.09686	0.7
89.03903	25.1
89.06026	1.5
91.05460	4.4
93.03413	0.5
93.07035	4.1
94.06519	0.5
95.04959	2.3
95.06068	0.9
95.08595	1.8
97.02863	0.5
97.06496	1.0
97.07644	0.6
98.06050	0.6
103.05453	2.9
105.03350	0.6
105.07031	1.9
106.04178	1.8
106.06534	1.2
107.04933	3.7
107.08575	2.7
107.88818	0.4
109.02876	2.0
109.06506	1.2
109.10139	0.7
110.07178	0.8
111.04415	1.5
111.05550	0.9
111.08031	0.6
114.05504	1.2
115.02144	1.5
117.03362	48.1
117.07004	0.6
118.03671	0.9
119.04908	0.8
121.06481	4.3
121.10112	2.1
122.07129	0.4
123.04422	0.7
124.05169	1.0
125.05997	1.7
129.10242	0.5
131.04947	0.6
131.08553	0.9
133.02803	0.9
134.03616	8.4
135.04404	10.4
135.08037	2.3
135.11659	1.6
137.13261	1.1
138.06567	0.9
139.03867	0.6
141.79272	0.5
144.10188	0.8
145.02827	90.1
146.03168	1.7
147.11156	0.5
148.97336	1.6
149.05959	26.0
149.09570	2.1
149.97182	0.8
150.06560	1.0
150.09109	1.5
151.03999	0.4
153.05415	1.4
153.97775	0.6
158.06000	0.6
158.94179	0.4
159.11737	0.6
162.03120	2.0
163.03899	9.9
163.07542	0.6
164.04279	0.6
165.05644	0.4
165.07019	1.3
167.05177	0.6
167.07013	1.2
167.08492	0.8
168.07698	0.6
171.98915	0.8
177.05444	100.0
177.08908	2.0
177.16354	0.8
178.05847	3.0
180.09389	1.2
183.67104	0.5
183.80290	0.4
186.05464	3.9
195.01143	0.6
195.02859	4.0
195.04758	1.0
195.06493	4.1
195.08369	1.6
195.10144	1.6
195.11574	2.4
195.15073	1.3
195.86719	0.5
196.09634	2.4
197.46547	0.5
203.09224	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0651
Annotation	2,4,8-Trihydroxy-1-tetralone
Peak:m/z	Relative Intensity
50.80241	0.4
53.03938	1.7
54.03440	0.5
55.01874	2.2
55.05510	1.0
56.05026	1.4
56.96569	0.6
57.03456	0.7
57.07075	0.6
57.15828	0.4
59.06123	0.6
60.36633	0.4
61.51916	0.4
63.02370	0.5
65.03934	1.3
67.05501	1.8
68.05025	1.0
68.96325	0.8
68.99802	0.5
69.03424	0.6
69.04536	0.6
69.07050	1.6
69.82384	2.1
70.06597	2.2
70.06909	0.4
71.05003	0.5
78.04701	1.0
79.05483	4.7
80.05007	1.2
81.03413	5.0
81.04530	0.6
81.07041	2.6
82.04164	0.4
82.06582	0.6
83.04968	2.4
83.06106	0.9
83.08602	0.5
84.04513	0.9
84.08132	7.4
85.02888	0.7
85.06535	0.4
85.08475	0.6
86.09665	1.1
89.03905	28.7
89.06025	1.4
90.04227	0.5
91.05476	5.0
93.03396	1.2
93.04496	0.5
93.07030	4.3
94.06568	0.7
95.04943	2.5
95.06062	0.7
95.08595	1.6
96.08151	0.6
97.06518	1.2
97.07590	0.5
98.06035	0.9
99.04456	0.4
99.05563	0.7
103.05463	2.4
105.03352	0.5
105.04474	0.6
105.07022	1.7
106.04169	1.9
106.06577	0.9
107.04953	4.6
107.08589	2.7
108.05626	0.5
109.02886	0.9
109.06507	0.9
109.07624	0.8
110.07176	0.7
111.04411	3.5
111.05572	0.8
114.01390	0.5
114.05523	0.5
115.02143	2.8
117.03368	46.7
117.07059	0.6
118.03647	0.7
119.04919	1.1
119.08605	0.7
120.05605	0.5
121.02829	1.1
121.06493	4.7
121.10136	1.7
122.06003	0.8
122.07111	0.4
123.04349	0.6
124.05164	1.4
125.05971	2.5
126.06554	0.6
127.99961	0.6
129.10242	0.6
130.96327	0.6
131.04910	1.1
131.08572	1.0
133.02797	1.4
133.06482	0.7
134.03618	8.8
135.04413	11.0
135.08041	2.8
135.11699	1.0
136.04872	0.6
136.08656	0.6
137.05952	1.1
137.10646	0.5
138.06673	0.6
139.03873	0.8
139.07549	0.7
145.02831	85.2
146.03140	1.3
147.04385	0.6
148.97301	2.1
149.05966	23.5
149.09579	2.6
149.97227	1.1
150.06509	0.8
150.09119	1.0
153.05444	3.6
153.07631	0.7
153.97827	0.6
158.06015	0.5
162.03081	2.0
163.03889	11.2
165.05518	0.8
165.07008	1.3
167.03380	0.5
167.05208	0.8
167.06981	1.1
167.08383	0.8
171.98972	1.0
177.05450	100.0
177.16357	0.5
178.05843	2.4
178.08559	0.6
180.09300	0.5
186.05470	3.5
195.01254	0.6
195.02824	2.6
195.04713	2.1
195.06416	3.5
195.08356	1.1
195.10152	2.4
195.11736	1.5
195.13904	0.4
195.15744	0.9
196.09644	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	193.1587
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	2.8
55.01859	6.3
55.05508	9.5
57.03412	5.0
57.07057	2.9
59.04977	4.5
65.03919	2.3
66.04703	1.4
66.18297	1.0
67.05194	1.3
67.05502	18.4
69.03410	3.6
69.07065	16.9
70.06580	1.0
71.04990	14.7
71.73304	1.8
71.73693	1.1
72.08130	2.4
77.03899	1.1
79.05029	1.3
79.05489	26.4
81.03412	23.4
81.06604	1.6
81.07052	23.7
82.07413	1.2
83.01341	1.4
83.04961	2.7
83.08633	5.4
85.06553	7.0
87.08107	2.7
91.05476	32.4
93.07039	23.9
95.04958	19.9
95.08598	26.6
97.06522	6.4
97.10153	2.0
99.02703	1.1
99.08074	2.7
103.05450	12.4
104.06230	3.5
105.07023	100.0
106.07341	3.3
107.04927	4.2
107.08581	62.9
108.08881	1.5
109.06511	24.6
109.10134	19.1
111.04418	1.2
111.08050	3.5
111.11690	2.2
115.05448	15.8
117.07002	2.9
118.04150	6.9
119.08575	38.2
121.06490	1.9
121.10130	21.6
123.07177	0.9
123.08048	18.7
123.10903	1.1
123.11710	14.5
124.12015	1.1
125.09629	1.3
127.46679	1.1
129.06989	5.3
131.04895	2.8
131.08563	7.0
132.05679	2.1
133.02838	2.5
133.06483	68.0
133.10117	47.5
134.06859	2.6
134.10381	1.6
135.08020	3.6
135.11678	30.5
136.12044	1.9
137.05930	3.2
137.09612	15.0
142.07825	1.6
143.06030	4.7
147.04388	2.2
147.08000	4.0
147.11668	18.8
149.05949	1.9
149.09578	7.2
149.13231	5.4
150.10379	1.3
151.11179	8.8
151.14799	5.0
157.10103	8.3
160.05194	1.6
161.05968	58.6
162.06288	3.5
165.05379	1.4
165.09073	2.4
165.12720	3.7
175.03815	1.2
175.11200	13.3
175.14818	32.5
176.15036	1.4
178.02577	2.3
178.06219	2.6
178.07707	1.8
193.04941	11.2
193.08594	54.3
193.10164	2.3
193.12186	14.1
193.15906	46.9
194.08195	0.9
194.09047	1.4
194.15471	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	193.1585
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
51.34851	1.0
53.03934	3.6
53.61519	0.9
55.01860	4.3
55.05509	11.4
55.65519	0.8
56.04985	0.9
57.03427	3.4
57.07062	3.1
59.05009	1.4
60.88028	0.8
65.03928	2.1
67.05498	16.9
69.03422	4.4
69.07068	13.7
70.06577	2.6
70.52799	4.0
71.04986	2.7
72.08141	3.0
75.47147	0.9
77.46205	0.9
79.05487	20.0
79.51530	0.8
81.03405	10.6
81.07050	30.5
83.04977	7.9
83.08599	5.4
84.08153	1.9
85.06515	2.0
91.05468	21.1
92.05791	1.2
93.07035	20.8
94.16999	1.0
95.04963	9.8
95.08595	24.5
97.06511	3.9
99.08088	1.3
103.05460	10.9
104.06271	1.1
105.03391	1.6
105.07021	100.0
106.07346	2.9
107.04978	1.5
107.08582	25.0
109.06503	8.0
109.10148	24.1
111.08090	2.8
115.05439	15.6
117.06999	3.5
118.04176	7.2
119.04969	1.9
119.08571	61.4
121.10139	15.8
122.43150	1.0
123.04424	1.3
123.08076	6.8
123.11705	6.9
129.07004	2.2
131.04926	3.4
131.08513	4.7
132.05704	2.8
133.02831	6.1
133.06485	57.6
133.10120	46.9
134.05946	1.2
134.06885	2.8
134.10493	1.7
135.08029	1.9
135.11671	16.8
136.07555	3.5
137.05988	2.5
137.09596	8.2
143.04973	1.4
143.06055	3.4
145.10130	2.9
146.03577	2.2
146.10817	1.9
147.04405	2.1
147.08054	2.5
147.11682	14.0
149.05946	1.2
149.09586	1.2
149.13254	7.2
150.25096	1.0
151.07474	1.4
151.11177	2.8
157.10098	1.8
160.05106	1.3
161.06017	50.9
162.06366	1.7
163.14815	1.5
165.05542	1.7
165.09096	1.7
165.16342	1.4
175.04010	1.5
175.07545	1.7
175.11385	2.1
175.14810	57.3
176.07027	1.5
176.15123	1.8
178.02617	2.8
178.06227	5.2
193.04971	15.7
193.08571	14.2
193.10458	1.9
193.12155	6.9
193.15884	28.7
194.08015	1.7
194.15402	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1585
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
53.03934	3.1
55.01862	3.4
55.05502	23.0
56.09758	1.2
57.03419	5.9
57.07046	4.6
65.03928	2.6
66.33128	1.3
67.05500	25.9
69.03384	1.9
69.06692	2.5
69.07060	46.0
69.93275	7.7
71.04968	5.7
72.08139	2.8
75.89098	1.3
76.44206	1.4
79.05480	19.3
81.02941	2.3
81.03403	36.1
81.06609	2.2
81.07052	36.5
82.07343	1.6
83.04967	4.6
83.08607	21.7
85.06530	4.4
91.05460	16.9
93.07039	28.1
95.04955	31.6
95.08593	38.5
97.02850	1.5
97.06518	32.9
97.10153	3.2
98.21421	3.0
99.08089	2.0
103.05437	4.3
105.06335	2.7
105.07010	41.7
107.04912	3.1
107.08578	39.9
109.06503	71.5
109.10143	26.8
109.74738	1.3
111.08064	11.3
111.11678	5.6
115.05436	4.9
117.07014	1.5
118.04184	2.4
119.08563	37.6
121.10135	17.7
123.07146	3.1
123.08051	58.4
123.11668	10.2
125.09635	2.1
129.06976	3.4
131.08568	4.5
133.06483	20.9
133.10117	49.9
135.11678	57.0
136.12053	1.9
137.09602	27.6
143.96384	1.5
145.10080	1.6
147.08060	2.7
147.11674	8.9
149.09615	3.2
149.13251	3.9
151.11148	4.8
157.10063	3.4
160.12383	1.8
161.05954	18.8
165.12645	1.4
175.11165	3.3
175.14798	49.1
179.80725	1.2
193.04936	4.1
193.08618	10.2
193.12218	9.1
193.15857	100.0
194.07991	1.6
194.16112	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1586
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
53.03939	1.8
55.01851	4.3
55.05500	7.5
56.96525	1.1
57.03416	3.8
57.07049	2.8
65.03915	1.6
67.05495	9.2
69.03405	3.4
69.07056	11.4
69.46916	11.0
71.04987	5.3
72.08129	3.9
77.03903	1.0
79.05482	19.0
81.03403	11.3
81.07047	17.5
83.01322	1.0
83.04967	3.9
83.08582	3.1
84.08122	1.4
85.06549	1.4
91.05467	20.3
93.07027	21.6
95.04949	13.6
95.08588	21.2
97.06518	3.0
98.97574	5.9
99.08059	2.6
103.05457	12.1
104.06247	2.4
105.03386	1.1
105.07014	100.0
106.07362	1.8
107.04930	3.2
107.08581	25.9
108.08963	1.3
109.06516	6.6
109.10152	11.7
111.08016	1.2
113.09608	1.2
115.05451	17.3
116.98596	2.5
117.07011	2.6
118.04140	9.9
119.04919	1.2
119.08562	38.8
120.08869	1.8
121.06487	2.1
121.10107	9.0
123.04378	1.3
123.08025	7.3
123.11681	4.8
125.09642	1.2
129.06998	2.7
131.04907	2.7
131.08560	4.2
132.05652	2.8
133.02815	3.4
133.06474	68.3
133.10110	54.4
134.06841	2.5
134.10431	1.9
134.99641	1.6
135.08034	1.7
135.10649	2.1
135.11667	34.9
137.05995	2.8
137.09625	10.2
143.04922	1.2
143.06001	3.2
145.10048	1.4
147.07997	3.0
147.11658	10.3
148.07520	1.5
149.02347	1.7
149.05939	1.8
149.09554	1.5
151.07545	2.0
151.11151	2.1
157.10129	2.2
158.99644	2.1
160.05180	1.6
161.05963	66.5
162.06323	2.1
165.05464	2.3
165.06819	1.0
165.09073	1.7
165.12666	1.4
170.06941	1.3
172.14146	1.1
175.03802	1.6
175.07542	2.4
175.11223	4.0
175.14801	40.7
176.07005	1.3
177.00673	2.9
178.02563	3.4
178.06143	1.7
193.04964	12.7
193.06746	2.1
193.08574	35.1
193.10167	1.7
193.12230	7.8
193.15865	29.4
194.07997	2.0
194.15428	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	193.1586
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.2
55.01860	5.3
55.05499	5.5
56.96551	2.0
57.03410	0.9
57.07057	2.2
57.07322	0.8
62.37663	0.6
65.03936	4.0
67.05499	8.4
69.03419	3.2
69.07063	9.5
69.47850	6.4
70.06583	1.9
71.04980	4.0
79.05485	19.4
80.05014	1.2
81.03397	2.7
81.07043	15.0
83.04971	2.5
83.08611	2.0
84.04484	0.7
84.08132	1.3
85.06536	1.5
87.04449	0.8
89.03905	0.7
90.04700	1.0
91.05474	14.9
93.07041	14.4
95.04961	7.0
95.08000	1.3
95.08601	20.6
96.09012	0.7
97.02857	0.8
97.06522	2.3
97.10158	1.0
99.08086	2.3
100.26029	0.8
103.05459	14.6
103.06091	1.4
104.06248	2.9
105.03371	1.6
105.07019	100.0
106.07335	3.0
107.04964	2.6
107.08587	19.7
108.04462	1.4
109.02872	1.0
109.06518	4.9
109.07623	0.9
109.10148	10.3
110.06001	0.9
111.08066	1.6
113.09599	0.7
115.05444	19.5
116.05772	0.7
117.07018	1.1
118.04142	11.0
119.04920	2.5
119.08567	32.2
120.08096	1.7
120.08914	0.7
121.06542	1.0
121.10114	6.7
122.07253	1.0
123.04396	1.7
123.08057	7.9
123.11685	5.0
129.07014	1.3
130.06477	0.7
131.04889	3.9
131.08537	1.6
132.05679	2.1
133.02827	4.9
133.06476	75.9
133.10115	48.6
134.06822	3.4
135.04398	0.8
135.08104	1.1
135.11678	33.0
136.07579	0.8
137.05966	4.3
137.09593	6.6
138.05434	1.2
143.04895	1.8
143.06035	4.1
145.10030	1.0
146.97424	2.3
146.99657	1.1
147.04393	3.7
147.06270	1.0
147.08017	2.3
147.11684	5.0
148.07495	2.4
148.08627	1.1
149.02335	7.8
149.03415	1.2
149.05963	2.1
149.13202	2.2
150.03061	1.2
150.06747	1.6
151.03860	0.9
151.07597	1.3
151.11240	1.8
156.51292	0.8
160.05151	1.4
161.05965	72.7
162.06381	2.2
165.05504	4.6
165.06735	1.1
165.09126	1.1
166.08646	1.9
175.03938	2.1
175.07523	2.9
175.11154	1.6
175.14810	33.3
176.03438	0.8
176.07007	1.1
176.15201	1.1
178.01106	0.8
178.02541	3.7
178.06232	1.2
178.07794	1.0
193.03252	1.3
193.04948	23.4
193.06871	1.7
193.08580	28.2
193.10170	2.1
193.12195	4.8
193.14087	1.5
193.15868	26.3
194.05484	0.9
194.07906	4.8
194.15359	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	193.1587
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
53.03932	2.8
55.01859	6.3
55.05508	9.5
57.03412	5.0
57.07057	2.9
59.04977	4.5
65.03919	2.3
66.04703	1.4
66.18297	1.0
67.05194	1.3
67.05502	18.4
69.03410	3.6
69.07065	16.9
70.06580	1.0
71.04990	14.7
71.73304	1.8
71.73693	1.1
72.08130	2.4
77.03899	1.1
79.05029	1.3
79.05489	26.4
81.03412	23.4
81.06604	1.6
81.07052	23.7
82.07413	1.2
83.01341	1.4
83.04961	2.7
83.08633	5.4
85.06553	7.0
87.08107	2.7
91.05476	32.4
93.07039	23.9
95.04958	19.9
95.08598	26.6
97.06522	6.4
97.10153	2.0
99.02703	1.1
99.08074	2.7
103.05450	12.4
104.06230	3.5
105.07023	100.0
106.07341	3.3
107.04927	4.2
107.08581	62.9
108.08881	1.5
109.06511	24.6
109.10134	19.1
111.04418	1.2
111.08050	3.5
111.11690	2.2
115.05448	15.8
117.07002	2.9
118.04150	6.9
119.08575	38.2
121.06490	1.9
121.10130	21.6
123.07177	0.9
123.08048	18.7
123.10903	1.1
123.11710	14.5
124.12015	1.1
125.09629	1.3
127.46679	1.1
129.06989	5.3
131.04895	2.8
131.08563	7.0
132.05679	2.1
133.02838	2.5
133.06483	68.0
133.10117	47.5
134.06859	2.6
134.10381	1.6
135.08020	3.6
135.11678	30.5
136.12044	1.9
137.05930	3.2
137.09612	15.0
142.07825	1.6
143.06030	4.7
147.04388	2.2
147.08000	4.0
147.11668	18.8
149.05949	1.9
149.09578	7.2
149.13231	5.4
150.10379	1.3
151.11179	8.8
151.14799	5.0
157.10103	8.3
160.05194	1.6
161.05968	58.6
162.06288	3.5
165.05379	1.4
165.09073	2.4
165.12720	3.7
175.03815	1.2
175.11200	13.3
175.14818	32.5
176.15036	1.4
178.02577	2.3
178.06219	2.6
178.07707	1.8
193.04941	11.2
193.08594	54.3
193.10164	2.3
193.12186	14.1
193.15906	46.9
194.08195	0.9
194.09047	1.4
194.15471	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	193.1586
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
53.03932	3.7
55.01867	4.2
55.05505	38.8
56.96561	1.5
57.03446	1.4
57.07066	4.7
59.04988	2.1
65.03918	1.3
66.84183	0.8
67.05497	23.0
69.03418	3.8
69.07056	21.3
69.44605	9.3
70.06581	3.6
71.04990	4.3
79.05482	16.6
79.98257	0.8
81.03412	2.7
81.07045	46.2
82.06547	0.9
83.04970	100.0
83.08609	5.4
84.04503	1.0
84.05315	1.1
84.08125	2.4
85.06522	2.0
88.56431	0.8
91.05473	12.5
93.07032	17.1
94.05669	1.0
95.04961	8.7
95.06079	1.2
95.08591	21.5
97.06527	3.5
97.10152	0.9
98.06050	1.2
101.90317	0.7
103.05462	2.6
105.03387	1.7
105.07016	22.6
107.05028	1.0
107.06117	0.8
107.08575	18.8
109.06508	13.5
109.07639	1.0
109.10137	32.5
109.10864	1.7
110.06024	1.1
111.08063	7.5
111.09187	0.8
111.11706	2.0
115.05434	2.8
117.07016	2.4
119.04943	2.6
119.08569	19.8
120.08118	1.4
121.06499	2.2
121.10138	8.4
122.03622	0.9
122.07200	1.0
123.04444	1.4
123.08070	9.9
123.11697	6.4
125.09628	2.4
131.04913	2.5
131.08568	1.9
133.02838	5.3
133.06493	9.5
133.10114	21.1
134.06065	0.9
134.07066	1.3
135.11667	17.1
136.07576	2.2
137.05997	4.0
137.09599	26.8
137.10646	1.5
138.10303	0.9
145.10115	1.1
147.04407	3.2
147.08002	2.4
147.11687	5.9
148.07539	1.7
148.08679	0.9
149.06012	1.8
149.13309	4.1
150.03117	2.6
151.11165	2.8
160.05154	1.3
161.02386	1.1
161.05988	9.7
163.02670	1.4
165.05440	4.0
166.08627	0.8
170.35207	0.8
175.03951	2.1
175.07568	1.6
175.11208	1.7
175.14819	17.9
176.07162	1.3
178.02603	5.3
179.02864	1.0
193.03189	1.5
193.04948	25.8
193.06816	2.2
193.08545	5.8
193.10367	1.8
193.12154	4.7
193.15868	25.3
193.17419	0.9
194.05409	1.0
194.08087	3.1
194.15440	2.9
212.32587	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1222
Annotation	Nocapyrone E
Peak:m/z	Relative Intensity
53.03932	1.5
55.01850	1.8
55.05507	2.5
55.30030	0.5
56.96553	0.6
57.03416	0.9
57.07060	0.7
58.24982	0.5
65.03916	0.9
67.05197	0.5
67.05501	7.8
68.37308	0.5
69.03420	1.2
69.07038	1.7
70.03725	0.6
71.04979	1.0
71.73061	0.7
79.05489	5.1
81.03411	9.6
81.07047	5.9
83.04950	2.2
83.08582	1.4
85.06539	0.5
91.05472	8.1
93.07040	4.2
95.04960	6.6
95.08595	5.5
97.02897	0.6
97.06512	1.2
98.06023	0.6
103.05454	1.0
105.03378	0.6
105.07021	9.0
105.41759	0.5
107.04919	1.7
107.08582	2.9
109.02840	3.0
109.06509	3.1
109.10130	2.5
111.04433	1.4
115.05442	0.5
119.04932	1.6
119.08566	5.6
121.10206	0.7
123.04418	33.0
123.08025	1.5
129.07004	1.8
131.08542	1.4
133.02817	2.1
133.06479	4.1
133.10118	5.8
135.08011	1.0
135.11659	0.9
137.06026	2.6
137.09641	0.9
142.07729	0.7
146.97424	1.4
147.08046	1.2
147.11678	3.4
151.07497	0.9
151.11119	0.9
157.10121	1.6
161.05981	3.0
165.05486	1.1
169.98973	0.9
175.03836	0.9
175.11163	1.8
175.14838	1.5
176.07130	0.7
178.02565	1.4
178.07915	0.8
193.04982	11.9
193.08528	2.3
193.12219	100.0
193.15804	3.4
194.08107	1.6
194.12514	2.4
194.15416	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1585
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
53.03931	6.5
55.01866	10.6
55.05506	50.0
57.03429	5.5
57.07061	7.0
59.04982	3.9
65.03929	6.0
66.92433	1.7
67.05499	51.4
68.05016	2.4
68.11388	1.9
69.03432	10.2
69.07061	27.6
70.06578	5.5
70.14135	10.1
71.04976	7.5
72.08143	4.8
77.03911	2.1
79.05485	35.7
80.05003	2.5
81.02938	3.3
81.03413	59.5
81.07049	63.6
83.01318	2.1
83.04509	3.6
83.04973	49.5
83.08598	16.6
84.08141	2.4
85.06554	6.0
86.06042	1.8
87.00938	1.8
91.05472	38.9
93.07034	41.9
95.04963	37.9
95.08597	52.1
97.06516	7.5
97.10153	2.9
99.08084	14.3
103.05471	8.3
105.04588	2.0
105.07019	100.0
107.04934	6.6
107.08587	45.6
108.04467	2.1
108.08847	1.8
109.06508	27.7
109.07648	2.7
109.10146	57.9
111.08071	8.3
115.05427	11.0
117.07013	6.1
118.04129	7.0
119.08571	95.1
121.06466	3.7
121.10134	39.1
121.10970	3.2
123.08043	18.6
123.11673	13.3
125.02325	13.5
125.09620	2.7
129.06972	7.2
131.08551	14.2
132.05751	2.1
133.02835	5.7
133.06483	39.1
133.10117	90.0
134.06012	2.4
134.06987	4.4
135.08105	2.9
135.10744	3.1
135.11678	32.1
136.07648	2.2
137.05960	5.6
137.09595	36.4
137.13182	2.3
142.07816	3.7
145.10129	4.8
146.10912	1.9
147.04376	4.5
147.08041	9.2
147.11661	32.2
148.07513	4.4
148.08687	1.9
149.09590	7.6
149.13243	22.0
151.07549	2.4
151.10031	2.0
151.11179	8.8
151.14827	5.4
157.10097	7.6
159.11809	2.1
160.12439	2.1
161.05988	28.2
165.05507	4.7
165.09117	3.6
165.12767	2.7
165.16441	3.4
169.95720	2.0
175.03870	2.2
175.11258	13.2
175.14813	90.3
176.07050	2.7
178.02615	6.0
193.03401	2.9
193.04982	27.8
193.06750	3.7
193.08580	15.2
193.10608	4.1
193.12247	15.3
193.14079	3.9
193.15874	73.8
194.08131	6.6
194.15434	8.2
202.07477	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1222
Annotation	Ibufenac
Peak:m/z	Relative Intensity
50.19026	0.8
53.03941	6.4
55.01866	9.0
55.05507	18.7
56.96563	1.9
57.03437	6.1
57.07064	3.1
58.18648	0.9
59.78848	1.0
65.03928	4.4
67.05499	77.7
68.05843	1.4
69.03428	5.6
69.07064	21.2
70.75588	1.4
70.75925	1.5
71.04984	6.3
72.08160	1.0
73.02901	1.1
79.05488	58.8
81.03413	10.4
81.07049	95.0
82.07385	1.6
83.04512	1.3
83.04978	16.9
83.08604	8.0
85.02885	1.0
85.06538	6.0
91.05472	100.0
92.05782	1.7
93.07034	51.7
94.62843	0.9
95.04961	20.9
95.05569	1.0
95.08598	52.0
96.08911	1.1
96.17663	0.9
97.02885	10.1
97.06527	21.7
97.10130	2.5
99.08070	4.7
103.05450	3.3
105.04478	1.2
105.07021	77.9
106.07363	1.8
107.04944	8.2
107.07902	1.7
107.08578	21.2
109.02837	1.5
109.06510	22.5
109.10139	10.4
111.04443	5.5
111.08085	5.2
111.08704	0.9
111.11668	1.1
113.05991	5.1
113.09660	1.0
115.05430	3.3
117.07004	4.2
119.04977	2.1
119.08574	60.2
121.06493	2.6
121.10132	13.3
123.04434	2.9
123.08067	8.3
123.11665	3.6
125.05933	2.7
125.09689	1.2
128.06195	1.3
129.06081	1.4
129.06998	20.2
131.07639	1.7
131.08553	19.1
133.02829	2.6
133.06488	10.2
133.10115	70.5
135.08002	1.7
135.11658	3.5
137.05940	3.0
137.09612	3.1
141.06932	1.2
142.07768	6.2
145.10107	3.2
147.04370	1.2
147.08058	5.5
147.11673	74.6
148.07463	1.3
148.11981	2.5
149.02376	1.1
149.09612	13.9
149.13246	3.0
151.07529	1.9
151.11145	3.3
153.78769	1.0
157.10115	34.3
161.05956	4.7
165.05493	1.7
165.12735	11.0
166.16098	1.2
175.11168	54.4
175.14731	9.1
176.07033	1.3
176.82066	1.0
178.02611	3.5
178.07796	1.6
187.22231	0.8
193.04967	15.2
193.06628	2.1
193.08531	2.9
193.10356	2.9
193.12224	81.9
193.15868	23.8
193.17589	2.0
194.08092	3.2
194.12691	0.9
194.15373	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1222
Annotation	Ibufenac
Peak:m/z	Relative Intensity
53.03931	7.5
55.01849	4.6
55.05505	10.0
56.96556	2.4
57.03431	74.2
57.07059	2.0
57.81596	1.6
59.04980	4.4
62.49836	1.7
64.83308	1.6
65.03925	4.9
65.08077	1.8
67.05497	27.1
69.03410	7.2
69.07047	6.9
71.04977	3.5
71.32108	4.0
72.08146	1.8
79.05481	33.8
81.03410	16.1
81.07048	25.4
83.04979	10.6
83.08608	4.7
85.02868	1.8
85.06528	4.6
87.04459	1.7
91.05467	64.2
93.07034	48.2
95.04957	26.4
95.08588	21.5
97.06505	7.0
98.06043	2.8
99.08062	2.0
103.05468	7.9
105.03367	2.0
105.07019	78.2
107.04944	5.9
107.08574	14.9
109.06495	14.0
109.10130	18.1
111.08040	2.5
115.05453	8.7
117.07015	8.4
118.04153	3.4
119.04926	2.8
119.08569	100.0
120.05257	2.1
121.06486	36.9
121.10115	5.8
123.04401	7.8
123.08074	7.8
123.11700	2.2
129.06946	6.6
131.04910	2.5
131.08507	6.6
133.02817	9.2
133.06477	31.8
133.07466	1.5
133.10110	50.7
134.05910	2.0
135.08031	10.0
135.11653	4.2
137.05951	8.6
137.09595	32.0
142.07762	5.7
145.06490	3.9
145.10110	3.6
146.07249	5.4
146.97429	6.9
147.04369	4.8
147.08032	15.3
147.11664	46.2
148.03842	1.7
148.07539	3.4
148.50639	1.6
149.02321	3.5
149.05965	2.4
149.09590	5.1
149.13242	2.3
151.07538	5.5
151.11116	3.2
152.24968	1.5
157.10088	12.1
160.08821	5.7
161.05978	18.8
165.05460	4.7
165.09119	1.7
166.08571	2.3
169.99023	3.2
175.03848	1.7
175.09662	3.2
175.11160	48.9
175.14758	11.8
176.07054	2.4
178.02599	7.0
178.07761	3.3
189.04301	2.9
193.04951	35.5
193.06841	3.8
193.08488	15.5
193.10150	4.5
193.12193	38.8
193.14047	3.3
193.15826	12.4
193.17488	2.3
194.08086	7.4
194.15399	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	193.0971
Annotation	3-Hydroxy-11-norcytisine
Peak:m/z	Relative Intensity
51.02311	0.4
53.03872	0.5
53.04078	0.3
55.01766	0.9
55.05433	0.6
55.05664	0.3
56.04928	1.0
56.96453	2.0
56.96756	0.6
57.03363	0.6
57.03611	0.4
57.06982	0.8
59.33375	0.3
60.04429	0.5
60.05560	0.3
65.03860	0.6
67.05391	1.3
68.04946	0.7
68.05265	0.4
69.03313	1.2
69.04465	0.4
69.06951	1.0
69.75385	2.4
70.06475	7.9
70.06905	1.3
71.04890	0.8
71.06840	0.4
72.08060	0.7
73.02849	0.5
76.02141	0.8
79.05375	1.6
80.04938	0.4
81.03292	0.9
81.04469	0.3
81.06945	2.0
82.06492	0.6
83.01270	0.5
83.04874	0.9
83.08553	0.5
84.04394	0.5
84.08043	0.9
85.02805	0.6
86.05951	0.4
86.09586	1.4
91.05371	2.8
93.06927	1.4
94.06463	0.4
95.04953	1.9
95.05994	0.6
95.08498	1.0
96.04403	0.7
96.05536	0.5
96.08042	0.3
97.02754	1.0
97.06419	0.5
98.05946	0.7
98.21115	1.0
98.97505	0.7
103.05448	3.3
105.03310	0.6
105.07011	4.2
106.06447	1.2
107.04864	0.9
107.08478	1.1
108.07991	0.5
109.02809	0.8
109.06403	1.3
109.10039	1.3
110.07123	0.5
110.08313	0.4
111.04375	0.6
115.05379	1.0
116.07035	0.7
116.98528	0.9
119.04858	1.4
119.08577	2.1
120.04396	0.5
120.08086	2.7
121.02728	0.4
121.05040	0.7
121.06400	0.9
121.07500	0.3
121.10059	0.9
122.03600	0.3
122.05980	0.4
122.06972	0.3
123.04384	0.6
123.07955	1.1
123.11650	0.4
125.06922	0.9
126.05293	0.3
128.98576	0.4
129.06871	0.4
130.06512	12.5
131.04903	2.2
132.07973	0.3
132.95787	0.5
133.02832	2.5
133.05142	1.4
133.06480	2.5
133.10059	1.4
134.06029	4.0
134.07033	0.5
134.99582	0.6
135.08000	0.3
135.11618	0.3
136.05244	0.4
136.06190	3.3
136.07465	1.4
136.08430	0.4
137.05943	1.9
137.06828	0.4
137.09547	0.7
138.09087	0.3
139.03836	0.9
146.06007	1.7
146.97403	0.7
146.99626	0.6
147.04405	1.8
147.07988	0.9
147.09067	0.6
147.11655	0.8
148.03920	11.1
148.06325	0.8
148.07559	11.3
149.02286	0.7
149.04559	0.7
149.05931	0.7
149.07973	0.4
149.09566	0.4
150.03131	0.4
150.10229	0.5
150.96814	0.8
151.03860	0.7
151.07327	0.4
151.96906	0.5
153.07817	0.3
158.05983	16.9
159.04382	0.6
159.06320	0.4
160.60416	0.3
161.04633	1.0
161.05934	2.0
162.05409	0.6
163.05864	3.8
164.06696	4.8
165.04205	0.3
165.05331	1.5
165.08983	0.6
165.10252	0.5
166.08636	0.4
170.06528	0.5
174.04451	0.4
175.05057	0.7
175.07375	0.5
175.08717	2.3
175.11769	1.3
175.14825	1.0
176.07048	100.0
177.07422	2.1
178.01115	0.5
178.02534	1.8
186.37526	0.3
188.07678	0.9
188.92413	1.5
189.00650	0.3
193.01413	0.4
193.03214	0.8
193.04929	8.7
193.06825	0.4
193.09750	14.6
193.12349	1.4
193.14334	0.6
193.15804	1.9
193.93066	0.4
194.08150	1.6
194.10176	0.5
194.15359	0.5
211.94073	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.097
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21587	1.3
52.42276	1.4
53.03937	6.8
55.01866	6.3
55.05507	1.8
56.96557	12.1
57.07056	2.1
60.02699	1.5
60.04516	1.7
65.03951	2.6
67.05493	6.3
69.03426	3.6
69.07070	4.6
70.06579	7.7
71.04979	3.1
75.17160	1.9
79.05487	33.7
80.05014	3.7
81.03425	10.6
81.07046	7.5
82.06550	1.4
83.05002	2.0
84.08159	2.5
84.09742	1.6
87.04456	2.0
89.03902	1.7
91.05468	18.8
93.07040	11.0
94.04173	2.9
94.06580	9.5
95.04960	36.8
95.08616	5.2
97.06519	1.9
99.83376	1.6
103.05460	25.5
103.06094	2.5
104.04971	7.4
104.48142	1.7
105.03381	2.4
105.07020	100.0
106.06553	4.4
106.07288	1.9
107.04941	28.5
107.08578	7.1
108.04458	3.2
109.02881	2.0
109.06529	5.0
109.10125	4.3
110.06053	2.8
115.05454	19.7
115.94186	1.6
116.04961	18.3
117.15142	1.5
118.04144	7.9
118.06498	2.1
119.04924	3.0
119.07307	2.1
119.08570	12.2
120.08092	21.0
121.06506	7.3
121.10172	2.0
122.06037	11.7
123.04443	2.1
123.08036	4.6
123.32732	1.8
130.06526	9.8
131.04951	12.5
131.05836	2.6
131.08583	1.7
132.04436	15.8
132.05452	2.6
132.06792	2.2
133.02844	7.5
133.06476	71.6
133.07486	4.2
133.10118	14.3
134.05977	5.1
134.06882	2.6
134.09547	2.1
135.10150	1.6
135.11671	5.6
136.03905	13.4
136.07564	4.4
137.05988	6.8
137.08412	1.6
137.09554	3.0
142.05273	9.8
143.06053	4.3
144.00813	1.8
146.97444	2.6
147.04408	5.2
147.06334	2.4
147.08084	2.4
147.09193	4.5
147.11646	4.3
148.07570	27.9
149.02361	7.2
149.05994	2.2
150.03172	1.6
151.03802	1.6
151.07512	1.6
151.08635	2.4
157.07585	18.6
158.06012	6.3
158.08344	2.3
160.05217	3.8
161.05966	73.6
163.07471	2.2
165.05466	4.8
165.06979	6.3
166.08676	1.7
175.03818	2.4
175.07472	3.6
175.08694	46.8
175.11037	3.0
175.14751	9.7
176.07039	5.5
178.02635	3.5
178.06230	2.3
178.07811	2.7
193.04938	33.0
193.06625	2.6
193.08609	24.2
193.09900	4.4
193.12276	4.2
193.15894	11.2
194.08098	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0858
Annotation	(E)-Methyl 4-methoxycinnamate
Peak:m/z	Relative Intensity
51.02385	0.5
53.03929	0.7
55.01865	4.1
55.05501	0.9
56.05024	0.4
56.96561	1.4
57.03431	0.5
57.07059	0.6
65.03937	0.6
66.04716	1.2
66.23353	0.4
67.05486	1.3
68.09285	0.4
69.03418	1.3
69.07046	0.4
70.06584	1.2
71.30344	0.5
71.30667	0.7
77.03919	0.8
78.04702	0.6
79.05483	13.3
80.04991	0.5
81.03403	1.9
81.07035	3.4
83.04954	1.0
83.08598	0.5
84.08128	0.6
85.49639	0.4
85.64947	0.5
87.04484	0.4
89.03944	0.8
90.04697	0.9
91.05470	8.7
93.07041	1.5
95.04958	3.9
95.08599	1.4
97.06554	0.5
98.97578	0.9
102.04694	0.6
103.05455	16.4
104.06270	4.6
105.03406	0.8
105.07017	100.0
106.07356	2.4
107.04938	1.5
107.08598	1.4
109.06498	1.2
109.10132	1.0
111.08036	0.6
115.05441	22.3
116.05817	0.5
116.98605	0.7
118.04144	10.8
119.04935	0.7
119.06884	0.5
119.08556	2.8
121.06503	1.0
121.10116	1.1
123.04438	0.8
123.08087	0.7
123.11604	0.4
130.06517	0.8
131.04898	4.8
131.08574	0.7
132.05714	3.8
133.02913	2.3
133.06473	80.0
133.10101	3.8
134.06845	1.7
135.04407	0.5
135.08026	0.7
135.11649	1.0
136.07550	0.5
137.05939	2.3
137.09581	1.0
143.04900	1.3
143.06030	5.3
146.97467	0.8
146.99667	0.6
147.04396	2.0
147.06345	1.2
147.08043	0.9
147.11693	1.8
148.07558	1.1
149.02336	1.9
149.05978	2.6
149.07892	0.5
150.06677	0.7
151.03799	0.7
151.07596	0.6
151.09738	0.6
151.11082	0.4
160.05133	2.2
161.05959	72.4
162.06363	1.7
165.05550	2.2
165.09137	1.0
175.03943	1.4
175.07498	0.8
175.11157	1.0
175.14864	1.1
178.02609	1.4
178.06300	2.6
193.04947	10.7
193.08574	49.6
193.15881	1.8
193.17650	0.6
194.09062	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0858
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.6
55.01865	4.4
55.05499	0.8
57.07063	0.4
59.04972	0.4
65.03922	1.2
66.04723	0.6
67.05491	1.5
69.03417	0.6
69.07047	0.6
70.02380	0.8
70.02792	1.8
70.06576	2.5
75.64996	0.3
75.87384	0.5
77.03917	0.6
79.05484	12.8
79.59531	0.4
79.79000	0.4
80.05012	0.5
81.03411	2.0
81.07050	2.1
82.06550	0.4
83.04971	1.0
83.06080	0.4
84.01343	0.3
84.08135	1.1
85.17632	0.3
86.76044	0.3
87.04449	0.4
89.03926	1.0
90.04682	1.6
91.05467	9.4
93.07031	0.7
94.04158	0.5
95.04961	3.6
95.06045	0.5
95.08589	1.3
97.06514	0.4
97.07642	0.5
98.06004	0.4
98.20628	0.4
103.05456	17.0
104.06272	0.6
105.03394	2.3
105.07016	100.0
106.07342	1.9
107.04926	1.2
107.06077	0.6
107.08578	1.3
108.04469	0.6
109.06501	1.5
109.07632	1.0
109.10126	1.2
110.07143	0.5
111.04429	0.4
111.05578	0.4
111.09191	0.4
115.05438	22.5
116.05730	0.4
117.03365	0.4
117.06978	0.6
118.04150	11.3
119.04956	2.0
119.08542	2.6
120.08091	0.8
121.06483	1.0
121.10126	0.7
122.03657	0.5
123.04414	0.5
123.08030	1.2
125.02332	0.9
129.06937	0.4
131.04909	4.7
131.08568	0.9
132.05696	1.7
133.02847	7.6
133.06471	84.9
133.10109	4.4
133.41144	0.5
134.06853	1.8
135.08012	0.6
135.11681	1.0
136.07590	0.9
137.05962	3.3
137.06932	0.6
137.09682	0.9
139.08601	0.4
143.04906	1.7
143.06024	6.1
146.03612	0.6
146.06055	0.5
146.97371	0.6
146.99585	0.5
147.04427	2.0
147.06328	2.0
147.08070	1.0
147.11681	1.4
148.07553	1.6
148.08676	0.7
149.05959	1.3
149.09668	0.5
150.03123	1.3
151.03839	1.6
151.11174	0.8
157.10130	0.5
160.05093	0.6
161.02423	2.5
161.05960	86.5
162.06261	2.1
165.05473	2.2
165.09087	0.4
166.08607	0.7
167.03813	0.5
169.99057	0.6
175.03908	1.0
175.07489	0.6
175.11186	1.3
175.14799	1.1
178.01158	0.6
178.02588	3.5
178.06241	0.9
193.03181	1.0
193.04938	13.1
193.06812	0.9
193.08554	12.4
193.10381	1.0
193.12286	2.1
193.14227	0.6
193.15849	2.7
194.05518	0.4
194.08141	1.2
194.15439	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0857
Annotation	(E)-Methyl 4-methoxycinnamate
Peak:m/z	Relative Intensity
51.02372	0.7
53.03932	1.9
55.01869	5.6
55.05505	3.0
57.03424	1.6
57.07065	1.5
59.04983	1.3
65.03918	1.0
66.04708	1.2
67.05502	4.6
69.03420	5.2
69.07069	3.5
70.06573	3.5
71.04967	1.1
71.49621	0.6
72.08146	0.9
79.05483	16.2
81.03393	1.6
81.07046	6.3
82.76669	0.5
83.04964	2.1
83.08602	1.5
83.52068	0.5
84.08137	1.0
85.02862	0.8
89.03894	0.6
90.04700	1.5
91.05465	13.8
93.07035	5.2
95.04954	6.7
95.08591	6.6
97.06539	1.2
103.05447	15.3
104.06293	0.8
105.03388	1.7
105.07014	100.0
106.06576	0.5
106.07338	2.2
107.04951	2.9
107.08582	7.4
108.09799	0.5
109.06506	3.7
109.07635	1.4
109.10131	4.5
111.04427	0.7
111.08049	1.1
115.05442	20.8
116.05754	0.7
117.06985	1.7
118.04138	10.9
119.04910	1.7
119.08561	12.6
121.06490	1.9
121.10090	2.9
121.13137	0.5
122.03631	0.8
123.04420	1.2
123.08038	3.4
123.11700	1.8
125.02340	13.2
131.04913	4.0
131.08562	1.6
132.05696	2.1
133.02859	4.8
133.06473	80.4
133.08437	2.5
133.10077	8.4
134.06886	2.2
135.08015	1.1
135.11679	4.7
137.05931	4.0
137.09602	4.1
143.04900	1.5
143.06032	5.3
146.97467	0.8
147.04395	1.5
147.07996	2.7
147.11646	4.0
148.07538	1.6
148.08652	0.8
149.05986	1.3
149.09631	0.6
149.13203	1.4
150.03059	1.3
151.03836	0.9
151.07521	1.6
151.11150	1.4
161.05957	74.3
162.06366	1.7
165.05450	1.7
165.09033	1.5
166.08643	0.7
175.07547	1.5
175.11136	1.5
175.14816	9.3
178.02574	2.6
178.06187	1.4
178.07693	0.7
193.04982	12.7
193.06828	2.1
193.08525	15.5
193.10342	2.1
193.12015	3.3
193.14290	1.0
193.15872	7.9
194.08026	1.6
194.11716	0.7
194.15259	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	192.123
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	1.0
54.03457	0.9
55.01854	1.3
55.05486	1.0
56.05024	1.8
56.96546	1.5
57.03396	0.8
57.07066	4.3
58.04745	0.8
58.69869	0.7
59.04993	4.5
59.06095	1.5
60.04510	3.2
61.02914	0.7
62.06084	100.0
65.03929	1.5
65.10187	0.7
67.05193	0.7
67.05502	9.2
68.04996	1.1
69.03405	2.1
69.07054	8.9
70.02944	12.8
70.06590	5.5
71.02097	2.0
72.04475	2.4
72.08140	1.6
72.93761	2.3
73.02887	1.0
79.05453	2.1
80.05000	1.9
81.03391	2.1
81.07030	1.0
83.04946	2.2
83.06083	2.1
84.04465	2.0
84.08121	2.3
85.02885	2.0
85.06528	8.2
86.09700	10.9
87.10046	1.0
88.03983	25.2
90.94830	1.2
91.05458	4.4
93.07000	1.2
94.06531	2.2
95.01307	0.8
95.04951	12.5
95.06020	1.3
96.04519	0.8
97.02875	1.6
103.05442	1.1
103.07565	7.9
105.07009	3.1
106.06539	2.7
107.04950	1.4
109.02821	1.5
110.07167	12.5
110.09682	1.5
111.04433	1.1
113.06013	1.0
117.05716	1.1
118.06550	4.1
119.04932	2.8
120.08080	4.0
121.02809	0.9
121.10316	0.8
122.06009	0.8
123.04424	1.2
124.03894	0.9
124.96882	0.8
128.10661	2.5
130.06493	2.5
132.04430	1.5
132.95822	2.8
133.02794	3.3
133.05270	0.8
133.06421	1.7
133.10042	1.2
136.06142	2.2
136.07524	1.3
137.05946	1.2
138.09065	0.9
144.10092	1.0
146.06000	12.4
146.09581	1.8
147.04362	2.6
147.06718	5.2
147.07887	1.6
147.11594	1.0
148.07565	10.1
148.08641	1.4
150.96873	8.9
156.07675	8.4
156.10199	12.2
160.05035	5.9
161.05940	1.0
164.03397	1.4
164.07027	4.2
164.10703	1.0
165.03889	1.0
165.05354	2.0
167.97086	1.1
174.05455	1.4
174.11261	17.6
174.12730	0.7
175.03960	1.0
177.15027	0.8
178.02487	1.6
192.02876	3.2
192.06508	28.7
192.08276	1.4
192.10185	5.0
192.12254	23.5
192.13870	3.3
192.17433	6.4
193.04974	10.1
193.06639	1.5
193.08391	1.0
193.12315	1.2
193.15865	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	192.1229
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.3
54.40433	0.6
55.01881	1.0
55.05507	1.9
56.05032	0.9
56.96553	2.6
57.07066	4.5
59.04995	5.5
59.06112	1.5
60.04520	3.2
61.02905	0.8
62.06084	100.0
62.97714	0.5
64.41742	0.6
65.03936	1.1
65.97572	0.5
67.05498	10.4
69.03429	1.4
69.07068	6.6
70.02948	11.6
70.06593	3.9
71.01348	0.8
71.71187	0.9
71.71566	0.7
72.04514	1.8
72.08141	1.7
72.50179	0.7
72.93784	2.8
78.19422	0.6
79.05469	2.4
80.04993	0.8
81.03411	1.5
81.07035	0.8
82.06565	0.7
83.04980	2.2
83.06129	0.9
84.04498	1.4
84.08136	2.3
85.02895	1.2
85.06535	9.2
87.08084	1.2
88.03986	24.6
90.94812	2.5
91.05464	4.9
93.07046	1.0
94.06562	11.9
95.04959	12.1
95.06090	1.1
95.06770	0.6
97.02917	1.2
98.97559	0.8
99.00822	5.3
103.05473	1.5
103.07567	7.2
104.04989	9.4
104.25016	0.6
105.07017	3.5
106.06544	2.6
106.07378	0.7
107.04938	1.4
107.08626	0.7
108.08076	1.3
108.86935	0.6
108.95874	0.7
109.06527	0.9
109.07626	1.0
110.06003	0.6
110.07160	1.2
110.09659	2.2
113.05990	1.4
116.10725	6.9
116.98562	0.9
117.05871	0.7
118.04176	0.6
118.06535	5.3
118.55671	0.6
119.01836	1.0
119.04940	2.2
119.08591	1.2
120.04453	2.8
120.08104	1.9
121.06501	1.0
122.06004	1.5
123.04406	1.3
128.04968	1.4
128.10712	2.1
129.06963	1.3
130.06537	1.3
131.04921	1.0
131.07039	0.9
132.04449	9.7
132.05373	1.1
132.95822	5.8
133.02818	2.2
133.06477	1.3
134.06026	0.7
134.10526	0.8
136.06187	0.9
136.07567	1.8
137.05940	1.5
138.09151	1.0
146.05994	57.9
146.09636	4.6
147.04405	1.5
147.06557	2.2
148.03853	0.9
148.07550	2.5
149.96115	1.2
150.05493	6.9
150.09119	0.8
150.96886	14.0
155.97473	0.8
156.10181	10.6
160.05037	4.0
161.05997	1.0
162.05478	7.0
163.06230	7.7
164.06970	3.2
165.05501	1.2
167.97147	1.9
168.97995	0.7
173.98512	0.9
174.05489	11.9
174.07117	1.0
174.07596	0.8
174.08965	0.8
174.11253	18.8
175.06255	4.6
175.11691	1.0
176.07071	4.9
177.04147	0.8
177.07848	0.9
178.02493	1.1
191.97066	1.1
192.02896	1.1
192.06516	9.5
192.08559	1.3
192.10243	2.9
192.12297	22.3
192.13922	1.6
192.17468	2.8
193.04918	4.7
193.12424	0.9
209.98071	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	192.0653
Annotation	5-Hydroxyindoleacetic acid
Peak:m/z	Relative Intensity
57.04046	0.1
59.69176	0.1
67.93838	0.1
68.40914	0.1
70.17124	0.5
75.97944	0.1
77.03931	0.2
79.05466	0.1
86.09698	0.3
91.05472	1.0
98.21401	0.1
104.90016	0.1
105.07036	0.3
110.07126	0.4
118.06532	1.3
128.04944	5.2
130.06476	0.1
132.04440	4.0
132.05447	0.3
133.06598	0.1
146.05994	100.0
146.86760	0.1
147.04474	0.3
147.06328	2.2
148.07552	0.3
160.05052	4.6
174.05496	4.0
180.53816	0.1
192.06238	1.0
192.07875	0.5
192.10118	0.3
192.17361	0.2
193.04918	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	192.0653
Annotation	5-Hydroxyindoleacetic acid
Peak:m/z	Relative Intensity
54.11436	0.2
54.40220	0.1
69.99425	0.4
69.99841	0.4
75.53008	0.2
77.03895	0.2
91.05460	0.6
95.04947	0.2
104.04984	0.2
105.07059	0.2
107.04899	0.2
118.06541	1.4
119.04906	0.2
120.08041	0.2
121.06488	0.2
128.04947	5.2
132.04436	3.3
132.05336	0.3
133.06435	0.2
145.63182	0.2
146.05989	100.0
147.04411	0.3
147.06335	1.9
148.07574	0.5
150.96928	0.2
160.05022	0.5
174.05481	3.1
192.06474	1.6
192.10152	0.3
192.17451	0.3
193.04979	0.4
193.06683	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	192.0764
Annotation	Carbendazim
Peak:m/z	Relative Intensity
65.03928	0.2
69.07039	0.1
70.04150	0.1
70.33893	0.4
72.08128	0.2
79.05486	0.2
83.06034	0.1
86.09666	0.2
91.05469	2.2
92.04978	0.4
93.07066	0.2
95.06076	0.1
96.08939	0.1
105.04498	0.4
105.07005	0.6
106.07389	0.1
106.92147	0.1
107.06059	0.1
108.08868	0.1
110.07111	0.3
119.08562	0.1
120.04450	0.2
121.08315	0.1
131.08563	0.2
132.04527	0.2
132.05557	2.9
132.08894	0.2
133.06395	0.7
133.10129	0.2
134.10439	0.3
135.05495	0.4
135.07962	0.1
136.07565	0.1
146.06001	0.4
146.10428	0.1
148.03975	0.2
148.07545	0.2
160.05045	100.0
161.05348	1.1
164.07005	0.2
174.13618	0.3
177.07867	0.1
178.02567	0.3
180.93771	0.1
192.07669	18.7
192.14816	0.6
192.17360	0.5
193.04936	0.7
193.08096	0.3
193.12291	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	191.1429
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
53.03929	3.5
55.01855	4.9
55.05498	9.5
56.96549	2.9
57.03425	3.7
57.07048	6.6
65.03934	4.1
67.05502	25.1
69.03419	13.7
69.07060	12.2
70.06586	3.5
71.04986	17.9
74.57106	2.5
79.05493	25.3
81.03408	3.2
81.07053	16.9
83.04969	8.0
83.08575	4.9
84.08129	7.1
85.06539	7.3
86.99448	2.6
91.05470	29.8
93.07030	24.4
95.04971	15.6
95.08575	18.4
97.06506	11.8
98.21442	5.8
102.04697	3.1
103.05460	28.6
105.07021	41.7
107.04940	10.7
107.08587	50.2
108.80790	2.5
109.06502	24.8
109.10144	60.6
115.05434	7.9
116.06206	4.8
117.06979	18.5
118.04135	9.0
118.06486	3.6
119.04940	6.7
119.08554	18.0
120.05684	3.9
120.08099	2.9
121.02808	2.7
121.06479	15.0
121.10134	46.9
123.08075	15.4
123.11694	3.3
128.86169	2.4
129.06972	5.7
130.04150	5.8
130.06573	3.8
130.07759	5.2
131.04910	26.8
131.08548	49.2
133.02829	6.0
133.06462	7.3
133.10130	43.4
135.04446	5.1
135.08051	55.1
135.11664	8.3
137.09554	3.1
143.08551	6.5
145.06500	8.0
145.10094	23.1
146.05977	18.6
147.04410	4.4
147.06792	3.9
147.08028	6.0
147.11644	15.6
148.05159	18.9
148.07547	6.4
149.05988	3.4
149.09637	17.6
149.13245	14.2
158.10895	10.4
159.04424	3.3
160.05070	7.3
161.09595	3.1
162.05461	3.6
163.03894	6.6
163.07504	25.0
163.08678	4.3
163.11156	8.7
163.14793	4.1
173.05943	4.8
173.09659	6.3
173.13252	44.4
176.04659	6.4
191.03340	13.0
191.06870	37.2
191.08456	5.4
191.10652	25.0
191.14301	100.0
192.06487	18.4
192.10190	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	191.1429
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
52.99936	0.4
53.03931	1.0
53.85073	0.4
53.97248	0.3
55.01872	5.0
55.05492	1.7
57.07054	0.9
67.05493	2.5
69.03415	1.7
69.06691	0.9
69.07062	17.2
69.77927	0.3
70.12766	2.4
72.08146	1.1
77.03902	0.5
79.05484	3.9
81.03413	0.4
81.07045	3.1
83.04974	2.8
83.08634	0.8
85.06526	0.8
91.05466	6.7
93.07035	16.5
95.04976	2.1
95.08601	5.0
95.26775	0.4
97.06524	2.7
103.05457	7.2
105.03373	0.8
105.07030	5.8
107.04929	1.6
107.08588	12.4
109.06487	2.2
109.10152	2.2
111.08035	0.5
111.63450	0.4
114.32870	0.3
115.05456	1.1
117.06980	2.2
118.04212	2.1
119.04916	0.9
119.08555	4.8
120.05727	0.5
121.06497	19.4
121.10136	11.3
121.12521	0.5
123.08064	2.2
123.11642	0.4
129.07057	0.7
130.04153	0.6
130.07782	0.5
131.04926	4.1
131.08560	7.0
133.02817	1.6
133.06439	0.6
133.10126	7.8
135.08034	11.3
135.11671	4.1
137.09608	1.5
143.08530	1.1
145.06487	1.0
145.10127	4.6
146.03569	0.6
147.04436	0.8
147.08037	0.6
147.11670	25.7
147.47462	0.5
148.05196	3.4
148.12094	0.5
149.09590	5.3
149.13242	9.7
158.10872	2.3
159.04442	0.4
160.05089	0.6
161.05907	0.4
161.08385	0.7
161.09608	7.5
163.07542	5.3
163.11174	1.7
163.14803	2.1
173.05977	0.7
173.09616	1.4
173.13251	12.3
176.04681	1.8
176.08194	0.6
176.11942	1.7
191.03384	0.6
191.07011	5.5
191.10722	3.7
191.14293	100.0
192.06462	0.5
192.14642	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	191.1429
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.8
55.01859	3.9
55.05495	2.4
57.07057	0.9
67.05487	4.1
69.03400	2.7
69.06693	0.9
69.07055	17.0
69.44317	6.2
71.04980	3.1
77.03893	0.7
79.05479	5.4
81.07043	5.8
83.04955	2.8
83.08599	1.3
85.06513	1.5
91.05474	9.4
93.06430	1.1
93.07027	20.0
95.01235	0.7
95.04944	2.4
95.08584	5.3
97.06506	2.7
99.08083	0.6
102.04633	0.7
103.05451	4.9
105.07019	10.0
107.04942	2.2
107.08578	20.1
109.06490	2.2
109.10133	5.3
111.08086	0.8
115.05437	1.7
117.07007	4.3
118.04134	2.7
119.08559	5.6
121.06494	20.2
121.10120	15.4
123.08057	3.7
129.07001	1.3
130.04135	1.4
130.07771	1.2
131.04900	4.3
131.08556	10.3
133.02800	1.1
133.10112	16.8
135.08034	13.9
135.11679	5.3
137.09616	1.9
138.93642	0.6
143.08530	1.8
144.09402	0.7
145.10097	7.2
147.08043	0.9
147.11667	28.3
148.05159	1.7
148.12035	0.8
149.09642	4.8
149.13246	10.2
153.68326	0.6
158.07329	0.7
158.10892	2.8
161.09604	8.0
162.09990	0.5
163.07486	3.5
163.11148	2.1
163.14818	2.2
173.09601	1.9
173.13242	15.9
176.04694	1.9
176.11925	3.0
191.03416	1.0
191.06981	5.5
191.10690	6.4
191.14288	100.0
192.14606	3.0
196.26787	0.5
201.73735	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1429
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	7.3
53.68583	1.7
55.01858	1.9
55.04526	2.4
55.05512	12.5
55.13145	2.2
55.90454	2.1
57.03418	2.8
57.07054	3.6
59.41528	2.3
65.03922	3.2
67.05502	12.5
69.03418	39.7
69.07059	13.7
69.09177	1.9
70.80864	4.2
70.81229	4.2
71.04963	4.3
78.14479	2.2
79.05024	3.0
79.05486	68.4
81.07045	68.5
83.04977	20.8
83.08598	4.3
85.06516	3.5
91.05003	2.6
91.05476	32.7
91.28111	2.0
93.07029	27.6
95.04932	10.5
95.08601	13.8
97.06517	5.1
103.05458	14.1
105.03362	2.2
105.07014	32.5
107.04941	42.7
107.08581	100.0
109.06480	13.7
109.10127	11.6
110.07289	2.3
111.08083	2.1
115.05437	3.1
117.07008	9.3
118.04090	2.7
119.06028	2.4
119.08550	16.4
121.06480	18.9
121.10137	31.4
122.07235	3.4
123.08041	7.4
129.07007	4.4
130.07715	2.0
131.04909	6.8
131.08551	25.8
133.10109	98.6
135.08054	24.1
135.11655	8.1
136.08841	2.5
137.09605	20.6
143.08516	6.7
145.06494	2.6
145.10094	14.6
147.07996	4.3
147.11673	9.3
148.05171	7.6
148.08783	2.5
149.09578	6.1
149.13249	20.2
158.10918	11.8
163.07491	7.5
163.11143	5.4
163.14816	5.2
173.09587	5.6
173.13257	24.4
176.04630	2.8
176.11955	2.3
191.06958	10.6
191.10692	11.9
191.14288	90.1
191.17891	4.8
192.14444	2.6
203.73930	1.8
208.93271	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1429
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
52.37291	0.8
53.03931	3.4
55.01862	1.7
55.05508	5.9
56.96555	1.6
57.03419	1.6
57.07057	2.0
58.29444	0.8
65.03926	1.9
67.05502	8.3
69.03424	16.8
69.07063	6.8
70.06581	1.9
71.04978	1.9
71.74869	0.9
71.75284	1.0
79.05488	15.2
81.03405	1.8
81.07046	14.8
83.04979	6.7
83.08596	2.3
84.08139	1.9
85.06567	1.1
86.09691	1.0
89.03892	0.8
91.04914	1.3
91.05469	17.9
92.06264	0.9
93.07043	11.4
95.04955	4.3
95.08607	5.5
97.06506	1.7
98.97549	0.9
102.04645	2.3
103.05457	30.3
104.06276	0.9
105.03375	2.8
105.07020	22.5
107.04945	10.0
107.08586	29.4
109.02875	0.9
109.06489	3.6
109.10149	11.7
110.07159	2.2
111.08056	1.0
115.05461	4.5
117.06986	5.9
118.04160	8.8
119.04981	4.6
119.08574	8.5
120.05698	2.1
120.08077	1.0
121.06498	6.7
121.10141	20.3
122.07262	2.7
123.08054	3.7
123.11715	0.9
129.06989	1.8
130.04155	3.8
130.07764	1.0
131.03960	1.2
131.04926	22.9
131.08562	15.1
132.05675	2.4
133.02882	6.2
133.06473	2.4
133.10118	100.0
134.10504	1.8
135.04384	1.3
135.07013	1.5
135.08034	14.8
135.11687	4.7
137.09613	12.6
143.08540	4.2
144.09274	1.7
145.06454	3.1
145.07541	1.2
145.10101	10.4
146.03581	2.7
146.05965	4.6
147.04417	2.4
147.06764	1.2
147.08055	1.6
147.11668	5.8
148.05183	13.2
148.07530	2.0
149.05952	1.3
149.09601	4.5
149.13231	18.6
157.10048	0.9
158.10905	6.8
159.04330	1.0
160.05095	2.3
161.09669	1.2
163.03896	1.5
163.07521	22.9
163.08865	1.2
163.11162	3.1
163.14764	4.3
167.05550	3.4
171.11711	1.1
173.02393	0.9
173.05965	2.8
173.07240	1.0
173.09595	2.4
173.13251	19.7
176.04697	5.7
191.03351	3.3
191.05351	2.0
191.06975	19.5
191.08543	1.6
191.10654	5.4
191.14290	37.6
192.06369	4.9
192.10184	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1428
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
50.10363	0.8
53.03936	3.2
55.01860	2.2
55.05509	5.4
55.58077	0.8
57.03421	2.2
57.07051	3.1
65.03926	1.5
66.04721	1.4
66.19833	0.9
67.05496	6.5
69.03423	21.8
69.07063	5.8
70.06577	1.9
71.04972	2.0
71.53117	1.5
77.03929	1.2
79.05486	18.9
81.03416	1.8
81.07047	16.9
83.04995	7.0
83.08604	1.7
84.08130	3.0
85.06489	1.7
89.03902	1.0
91.05467	22.9
92.06271	1.8
92.22099	0.8
93.07034	13.0
94.06527	1.2
95.01302	0.9
95.04960	6.2
95.08585	7.2
97.02900	1.3
97.06531	1.8
102.04667	2.9
103.05458	56.2
104.01181	0.9
105.03387	6.9
105.04434	1.0
105.06334	1.2
105.07021	23.9
107.04934	12.4
107.08580	36.4
109.06523	5.4
109.10141	8.3
110.07179	1.7
111.08097	1.2
115.05466	7.1
117.07005	7.7
118.04144	14.1
118.06518	2.1
119.04940	6.9
119.08555	10.9
120.05688	3.6
120.08099	1.1
121.02822	1.1
121.06489	6.6
121.10136	19.1
122.06020	1.8
122.07226	2.5
123.08035	3.6
129.06982	2.6
130.04156	4.6
130.07689	1.5
131.04922	36.8
131.08562	14.1
132.05666	3.8
133.02840	8.9
133.06471	4.3
133.10117	100.0
134.10434	2.2
135.04427	1.4
135.08047	17.2
135.11687	5.6
137.09589	13.8
143.08525	5.1
144.09328	1.9
145.06458	4.0
145.07462	1.0
145.10118	9.9
146.03627	3.7
146.05995	13.3
147.04391	2.3
147.06783	2.7
147.07974	2.0
147.11653	8.3
148.05179	29.2
148.07558	3.3
149.05927	1.8
149.08528	1.1
149.09610	6.6
149.13237	13.7
158.10905	9.2
159.04420	1.8
159.53584	0.9
160.05080	2.2
161.06003	2.1
161.09642	1.7
163.03877	1.5
163.07532	41.0
163.11174	2.5
163.14796	4.2
164.06911	1.9
167.05576	1.1
173.05917	5.0
173.09586	2.2
173.13243	28.7
176.04715	7.1
191.03374	4.7
191.06932	38.3
191.10553	4.7
191.14290	46.1
192.06429	8.0
192.10159	1.8
192.17458	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1428
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
52.72274	0.6
55.01860	1.8
55.05502	3.8
55.80042	0.5
56.85196	0.5
57.03399	0.8
57.07057	1.5
60.86540	0.5
65.03919	0.7
67.05501	2.9
69.03423	8.3
69.07065	5.2
69.77227	4.4
71.04974	1.6
72.08131	1.4
77.17870	0.6
79.05472	5.2
81.03402	0.6
81.07053	4.6
83.04984	6.1
83.08600	2.1
85.06516	1.2
91.05466	9.0
93.07034	9.4
95.04936	2.6
95.08601	3.6
97.06512	2.5
98.21431	1.1
102.04656	0.7
103.05457	9.6
105.03375	0.8
105.06339	1.0
105.07015	13.6
107.04924	1.9
107.08576	21.8
109.06510	2.8
109.10123	2.7
111.08096	0.9
115.05434	1.9
117.07027	3.5
118.04136	2.9
119.04965	1.6
119.08559	7.8
121.06487	4.4
121.10126	10.4
123.08060	3.1
123.11733	0.7
129.06975	2.0
129.30690	0.6
130.07761	0.7
131.04912	5.9
131.08554	13.3
132.05681	1.2
133.02798	1.9
133.06462	1.5
133.10112	24.4
134.10445	0.9
135.04330	0.7
135.08038	11.1
135.11674	2.6
143.08516	2.3
144.09364	0.9
145.06435	1.8
145.10092	8.1
146.10414	0.6
147.08037	2.4
147.11671	9.5
148.05185	4.7
148.08730	0.9
149.05774	0.7
149.09589	6.1
149.13242	6.4
158.10909	6.2
160.04996	1.1
161.09636	3.4
163.07527	6.9
163.11136	1.8
163.14803	1.4
173.05952	1.2
173.09642	1.3
173.13242	15.8
176.04660	1.9
176.11893	2.2
191.06976	8.0
191.10732	3.8
191.14285	100.0
192.06439	1.0
192.10106	0.8
192.14554	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1428
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02361	0.5
52.46552	0.5
53.03930	2.2
53.79657	0.6
55.01874	6.1
55.05505	3.5
57.03431	1.0
57.07061	1.9
59.04980	0.9
60.69123	0.6
65.03927	1.1
66.04704	2.1
67.05489	3.8
69.03422	2.8
69.07060	9.3
69.45168	1.8
69.45586	3.9
70.06582	0.8
71.04942	0.8
72.08150	0.9
77.03889	0.7
78.04722	0.6
79.05480	11.1
81.03405	1.1
81.07046	7.0
83.04983	2.8
83.08617	1.6
89.03873	0.8
90.04697	1.4
91.04921	1.2
91.05468	16.1
92.06263	0.7
93.07034	19.5
95.01255	0.7
95.04956	5.4
95.08585	4.8
97.06512	2.4
102.04700	4.0
103.05460	54.2
104.05715	0.8
104.74982	0.7
105.03381	5.0
105.04494	1.1
105.07017	20.5
106.07310	0.5
107.04936	6.1
107.08585	34.3
109.06503	3.9
109.07634	0.7
109.10165	2.8
111.08070	1.0
115.05432	4.3
116.06255	0.9
117.07015	9.5
118.04152	15.6
119.04916	5.8
119.05801	0.8
119.06071	0.8
119.07729	0.9
119.08562	12.4
120.05698	3.1
121.06490	11.7
121.10135	11.8
122.06821	0.6
123.08035	5.2
129.06960	2.7
130.04163	4.2
130.07773	1.5
131.04919	34.1
131.06989	0.9
131.08559	19.9
132.05728	3.8
133.02838	10.9
133.06520	4.1
133.10121	10.5
134.09685	0.8
135.04434	0.9
135.08047	15.7
135.11667	4.3
137.09605	1.9
143.08531	3.5
144.09346	1.5
145.06509	2.7
145.08392	0.7
145.10114	13.7
146.03578	4.3
146.05910	0.6
147.04411	2.0
147.08043	7.3
147.11673	33.3
148.05176	32.1
148.08733	1.1
149.05820	1.0
149.08476	0.9
149.09608	11.3
149.10757	0.4
149.13234	15.7
150.96852	0.8
158.10919	3.9
160.05089	1.8
161.05902	0.7
161.09630	2.7
162.05475	0.9
162.10350	1.3
163.07530	42.1
163.11180	3.3
163.14792	3.5
164.07875	1.3
165.49184	0.6
173.05946	2.8
173.09579	1.7
173.13252	20.9
174.13609	0.7
176.04669	5.8
176.11951	4.1
191.03372	1.6
191.07004	26.5
191.10674	5.1
191.14293	100.0
192.07471	0.6
192.14615	2.0
203.10323	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1429
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
53.03942	3.2
55.05493	5.6
57.03427	2.2
57.07061	3.8
57.58566	1.3
59.04988	2.1
65.03934	1.7
67.05498	8.3
69.03429	8.9
69.07066	10.6
70.85497	3.3
71.04984	4.4
79.05486	15.6
81.07051	12.3
83.04984	5.2
83.08600	6.0
85.06538	4.3
91.05470	38.7
93.07037	21.4
95.04974	5.6
95.08593	15.0
97.06526	7.9
98.94525	1.2
103.05446	5.3
103.58703	1.4
105.07024	53.1
107.04978	2.6
107.08582	41.5
109.06500	7.7
109.10159	11.2
111.08046	2.0
112.39629	1.5
115.05393	1.8
116.04968	4.1
116.06200	3.4
117.07003	10.0
117.94316	1.4
118.06532	17.3
119.06889	1.5
119.08569	29.1
121.06506	9.4
121.10114	23.4
123.08070	10.3
123.11697	1.7
128.06195	2.2
129.07011	10.3
130.07797	2.5
131.04915	4.2
131.08562	55.3
132.08961	1.6
133.06441	2.7
133.10118	100.0
135.08041	21.1
135.11665	5.2
143.08553	16.7
144.09315	5.5
145.07593	15.9
145.10124	26.3
147.08041	2.3
147.10571	2.4
147.11670	19.9
148.08728	2.6
149.09613	12.0
149.13243	23.3
156.09363	2.8
158.10898	20.6
160.05086	7.5
161.09598	2.8
163.03856	1.7
163.07544	2.0
163.11098	3.8
163.14825	5.5
173.07114	21.6
173.13257	61.9
191.08171	74.7
191.10712	3.3
191.14307	76.8
192.08379	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1429
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
51.84314	1.2
53.03927	4.1
55.01847	3.3
55.05508	8.5
56.96535	2.9
57.03408	4.2
57.07056	3.7
59.04997	2.0
63.41797	1.4
65.03922	2.9
67.05497	10.0
68.05056	1.3
68.99783	1.6
69.03417	7.4
69.07054	14.5
70.06570	3.8
71.04999	6.9
71.73875	2.3
72.08125	2.5
79.05491	21.1
81.03412	2.9
81.06605	1.3
81.07053	14.7
82.06569	1.2
83.04949	6.8
83.08611	6.0
84.08142	1.7
85.06510	4.6
89.03932	1.4
91.04923	2.3
91.05470	36.5
93.07034	23.2
95.01283	1.6
95.04965	9.2
95.08597	14.9
97.06508	9.1
99.06255	1.3
103.05454	20.3
105.03384	2.2
105.07015	47.9
107.04932	9.1
107.08583	88.4
109.06509	11.8
109.07619	2.1
109.10131	12.4
110.07026	1.3
111.08042	2.9
115.05432	5.0
117.05755	10.5
117.07001	16.8
118.04133	3.0
118.06563	1.4
118.07271	1.9
119.04940	2.7
119.06084	1.3
119.06835	3.1
119.08564	41.5
120.05711	1.5
120.08089	2.3
121.02833	1.9
121.06487	11.7
121.10133	34.1
123.08070	9.4
123.11650	2.4
128.06300	1.3
129.06981	8.8
130.04120	2.8
130.06476	5.3
130.07764	4.2
131.04921	17.2
131.06941	14.8
131.08551	53.3
131.51569	1.2
132.07120	2.1
132.08076	34.3
132.09070	1.8
133.06441	4.1
133.07455	1.7
133.10115	67.3
134.05981	1.4
134.10493	1.3
135.04413	2.4
135.08038	20.8
135.11653	14.5
136.08690	1.4
143.08546	10.9
144.08115	1.4
144.09319	5.0
145.02869	1.7
145.06564	6.7
145.08447	13.1
145.10106	36.7
146.05962	3.1
147.04379	2.0
147.08043	1.9
147.11653	15.7
148.05183	7.5
148.07507	1.2
148.08723	3.0
149.02245	1.3
149.05946	4.0
149.09613	10.4
149.13254	20.1
150.10231	2.7
150.96785	1.5
155.04941	3.1
158.10912	18.8
159.04463	1.9
160.05077	2.9
160.07515	5.3
161.09561	2.5
162.05470	2.6
163.03864	2.4
163.05870	1.9
163.06078	2.2
163.07515	14.2
163.08743	1.9
163.11148	4.4
163.14778	12.2
164.11890	1.7
167.05626	1.7
169.03351	1.2
171.11690	2.4
173.05946	10.3
173.07895	3.6
173.09558	4.6
173.13246	68.7
176.04601	3.5
176.11980	1.4
191.03307	4.1
191.06909	17.1
191.08168	1.7
191.10620	13.5
191.14281	100.0
192.06552	2.7
192.10150	15.6
192.14706	2.0
195.13609	1.2
211.62791	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1428
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.5
55.01858	1.9
55.05508	6.0
57.03419	1.3
57.07056	2.9
59.04990	1.0
65.03935	1.2
66.91863	0.7
67.05498	6.5
69.03423	19.2
69.07063	11.3
69.94264	5.4
70.06561	1.1
71.04979	2.1
72.08135	1.9
79.05489	10.0
81.07046	9.6
83.04967	16.0
83.08614	3.1
85.06523	1.5
91.05469	16.2
93.07040	13.8
95.04939	4.5
95.08598	8.4
97.06483	4.0
102.04718	1.5
103.05455	12.5
105.03399	1.0
105.07030	20.1
107.04939	3.4
107.08585	31.8
109.06532	4.9
109.10136	4.9
111.08054	1.4
115.05441	2.9
117.07007	6.6
118.04157	4.4
119.04931	1.7
119.08559	13.4
121.06494	11.5
121.10137	20.4
122.07226	0.9
123.08060	3.8
123.11691	1.4
128.06213	1.3
129.06967	4.5
129.56244	0.8
130.04138	1.4
130.07750	1.7
131.04933	10.1
131.08559	21.7
132.05611	1.0
132.08087	2.6
133.02870	1.6
133.06433	2.2
133.10121	27.7
135.07054	1.3
135.08041	22.4
135.11714	5.8
136.08826	1.3
137.09604	1.7
143.08548	6.1
144.09259	2.1
145.06419	1.8
145.10115	14.5
146.14383	1.0
147.08049	1.2
147.11676	10.4
148.05190	6.5
148.08818	1.1
149.05930	1.3
149.09616	8.2
149.13261	7.2
150.10367	2.5
152.48288	0.9
155.08534	0.8
158.10925	10.4
159.04404	1.3
160.05072	2.0
161.09599	6.9
161.13251	1.0
163.03917	1.0
163.07521	11.4
163.11125	2.6
163.14798	3.2
173.05957	1.3
173.09621	2.1
173.13257	24.7
176.04617	3.1
176.11943	3.0
191.03381	2.1
191.06931	8.6
191.10696	5.8
191.14290	100.0
192.10185	2.6
192.14650	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	191.1065
Annotation	Aristelegone A
Peak:m/z	Relative Intensity
53.03945	1.2
55.01860	1.5
55.05491	2.2
56.96558	1.9
57.03420	0.8
57.07055	0.8
67.05507	3.5
69.03411	4.2
69.07047	1.3
70.06575	0.8
71.05013	1.0
71.12903	1.1
71.13258	1.4
79.05478	6.5
81.07056	3.9
83.01340	0.9
83.04971	2.6
91.05473	10.1
93.07035	5.9
95.04961	3.3
95.08592	3.1
103.05448	5.0
105.03416	0.9
105.07031	12.7
107.04940	3.1
107.08584	10.5
108.64888	0.6
109.06506	1.5
109.10135	2.9
111.04427	5.7
115.05447	2.3
117.07017	6.6
118.04162	2.1
118.75826	0.7
119.04950	1.3
119.08554	5.9
121.06500	10.1
121.10110	6.9
122.07250	2.6
123.04514	0.6
123.08068	3.8
128.06139	1.0
129.06973	1.6
130.04131	1.3
130.07790	5.7
131.04907	2.9
131.08562	5.7
132.05692	1.2
133.02861	1.2
133.06538	1.2
133.10120	4.6
135.08040	62.4
135.11632	4.9
136.08315	1.1
137.06030	1.2
143.08505	1.3
145.06450	2.1
145.10121	16.3
146.03656	1.2
146.06015	0.9
147.04366	1.3
147.08017	3.7
147.11658	2.7
148.05168	2.1
148.08804	1.9
149.05911	1.8
149.09605	5.1
149.13243	2.0
151.07605	0.8
155.08521	2.2
158.07263	7.8
158.10904	1.4
160.05029	2.2
161.05951	4.9
161.09625	1.0
163.07550	4.1
163.11176	21.6
164.11479	1.0
173.06033	1.0
173.09602	20.4
173.13194	4.5
175.07571	0.9
176.04712	1.3
176.08311	16.8
191.03398	3.1
191.07002	6.0
191.10657	100.0
191.14238	15.2
191.17943	1.6
192.06531	2.3
192.10956	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	191.1064
Annotation	Aristelegone A
Peak:m/z	Relative Intensity
53.03937	1.2
55.01854	2.7
55.05486	2.6
57.07065	1.3
60.77228	0.6
65.03916	0.9
67.05490	6.2
69.03410	4.0
69.07041	2.5
69.94283	2.5
69.94697	2.1
71.04983	1.2
74.72354	0.8
79.05489	8.3
81.07051	5.5
83.04961	3.1
83.08612	0.8
91.05029	0.7
91.05479	10.3
93.07027	9.4
95.04951	1.8
95.08603	2.1
97.06547	0.9
103.05434	2.5
105.07017	10.8
107.04935	4.1
107.08587	12.9
109.06521	2.8
109.10131	2.0
111.04439	4.7
113.93326	0.7
115.05453	1.9
117.07004	6.7
118.06557	0.9
119.08562	6.6
119.99557	0.7
121.02865	0.9
121.06491	9.7
121.10141	6.9
122.07275	1.6
123.08051	3.1
125.05987	0.8
128.06187	1.3
129.05449	1.2
129.06984	3.3
130.07773	4.5
131.04956	1.9
131.08559	10.1
133.10118	4.1
135.04387	1.4
135.08040	57.1
135.11690	4.9
136.08347	1.3
137.05980	1.8
143.08505	1.0
145.06450	2.4
145.10107	19.7
146.06015	1.0
147.07994	2.6
147.09073	0.9
147.11705	3.5
148.07552	1.1
149.05923	2.5
149.09607	6.2
149.13225	2.1
151.07498	1.2
155.08536	3.3
158.07286	6.6
158.10857	1.2
160.05058	1.1
161.06004	5.3
161.09642	1.6
162.05431	1.2
163.07495	1.6
163.11165	27.8
173.09605	22.4
173.13211	4.7
175.07632	0.8
176.04698	0.9
176.08304	14.9
191.03384	1.8
191.07013	5.0
191.10649	100.0
191.14262	17.4
191.17903	1.9
192.06534	1.8
192.10944	2.5
192.17293	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0814
Annotation	(-)-Chrysogine
Peak:m/z	Relative Intensity
53.03901	0.4
55.01824	0.9
55.05466	1.0
56.04996	0.5
56.96560	7.9
57.03431	1.9
57.07051	0.4
59.06076	0.5
60.04470	0.4
60.04759	0.3
61.02872	1.0
65.03915	0.8
67.05452	1.2
68.04974	0.9
69.03424	2.7
69.07033	0.6
69.70284	0.3
70.06586	2.2
70.30947	0.5
70.31347	0.8
70.95816	0.5
71.01299	0.5
71.04958	0.5
72.08154	1.6
72.93739	1.6
73.02923	2.1
74.06042	0.4
74.97570	0.5
77.03923	0.3
79.05479	1.9
80.04983	0.4
81.03368	0.9
81.04507	0.6
81.06995	0.9
83.04946	0.7
83.06051	0.4
84.04469	0.8
84.08136	2.1
84.95999	0.9
85.02897	3.5
85.06483	0.5
85.08408	0.5
86.06051	0.4
86.09659	1.2
90.94849	1.8
91.05471	4.6
93.06994	1.5
95.04907	1.0
95.08549	0.5
96.04446	0.6
97.02905	1.6
98.97576	3.8
99.04436	0.6
101.07027	0.4
103.05441	0.8
104.01222	0.5
104.04899	0.3
105.07031	2.1
106.06544	3.6
107.04961	1.6
107.08591	2.2
108.04426	0.4
108.95867	0.3
109.02825	0.8
109.06479	0.5
109.07632	0.5
109.10107	0.7
110.01243	0.9
110.07138	0.6
110.97516	1.0
111.04414	0.4
111.05563	0.5
112.07523	0.4
112.99078	0.4
116.01176	0.3
116.04984	0.5
116.98608	3.6
117.02067	0.4
117.05749	1.0
117.06985	1.3
118.05750	0.5
118.06534	6.9
119.00156	0.5
119.01819	2.5
119.04869	0.6
119.08524	1.2
120.04436	0.8
120.05542	0.9
121.02831	1.4
121.06454	0.9
121.07590	0.5
121.10101	1.5
122.05993	0.5
123.04386	0.4
123.07990	0.6
127.03854	0.7
128.02261	1.0
128.04938	0.7
128.98584	2.5
129.07013	0.3
130.07738	0.3
131.00124	1.3
131.01852	0.5
131.04901	1.1
131.08583	1.8
131.97400	1.2
132.04425	0.8
132.06735	0.5
132.95825	1.7
133.06429	0.4
133.07535	0.3
133.10143	1.7
134.06006	16.1
134.08321	0.4
134.99641	1.9
135.04387	0.7
135.05450	0.4
135.06430	0.4
135.08014	1.4
135.09038	0.3
135.11621	0.7
136.03871	0.4
136.07539	0.5
136.08688	0.5
140.02299	0.4
143.08537	0.4
144.04413	0.6
145.04929	0.3
145.06480	1.2
145.07584	5.2
145.10104	1.3
146.05994	21.4
146.99638	2.8
147.04378	0.5
147.06609	0.6
147.11653	1.0
148.03922	1.5
148.05055	0.5
149.01216	3.9
149.04646	0.6
149.07101	0.4
149.09605	0.8
149.13254	0.6
149.96042	1.5
149.98483	0.6
150.05373	0.4
150.96889	4.6
152.02286	0.5
153.04070	0.5
155.06036	2.9
156.06750	1.5
158.10799	0.5
158.99696	0.8
160.03889	0.8
160.05096	0.5
161.01228	0.7
162.05489	100.0
163.03891	1.5
163.06290	10.2
163.08607	3.5
163.11238	0.7
164.07060	1.2
165.00670	0.7
166.98785	0.4
167.02295	2.0
167.05545	1.0
167.97171	1.5
170.99709	0.6
172.06332	2.0
173.07100	28.6
173.13188	2.2
173.98485	0.4
174.05496	22.3
174.07411	1.0
175.06287	4.6
177.00742	1.1
186.99174	0.5
189.00629	1.8
190.98746	0.6
191.03436	2.1
191.08168	29.4
191.10675	0.8
191.12837	0.8
191.14261	4.2
191.97189	0.5
192.06523	1.3
192.08812	2.1
201.00684	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	190.086
Annotation	3-Indolepropionic acid
Peak:m/z	Relative Intensity
55.01869	0.9
58.06582	0.5
60.96053	0.3
67.05489	0.5
71.04960	0.4
71.18317	0.9
72.08145	0.7
73.02908	5.4
77.03929	0.5
79.05490	1.0
81.07029	0.6
84.04488	0.5
84.08137	0.5
91.05480	2.8
95.04952	0.5
95.08587	0.5
103.05453	1.9
105.07016	1.4
106.07328	0.3
107.08584	1.1
109.50542	0.3
110.07155	0.4
112.11228	0.3
115.05441	1.2
116.04920	0.6
116.05679	0.3
117.05727	1.5
117.07008	7.5
118.06531	26.8
119.08598	0.8
120.08096	1.2
121.10152	0.7
128.04909	0.5
130.06514	100.0
131.04930	0.4
131.07144	1.1
131.08531	1.0
132.08073	3.7
133.10104	0.9
134.06062	1.7
135.07938	0.7
142.06526	0.6
143.07309	6.1
144.04388	2.0
144.08069	79.6
145.06473	2.6
145.08405	1.4
145.10114	0.7
146.05988	1.8
149.02301	0.5
150.08977	0.4
154.06508	1.4
155.06021	1.1
159.06737	0.7
160.07564	3.3
162.05473	6.4
162.10075	0.3
163.07555	0.6
171.34120	0.3
172.07558	18.3
173.13272	0.9
190.04897	2.5
190.08559	9.2
190.12195	0.5
191.06979	0.8
191.10573	0.4
191.14214	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	190.0862
Annotation	3-Indolepropionic acid
Peak:m/z	Relative Intensity
55.01868	1.0
55.32000	0.3
56.05048	0.5
56.96558	0.7
59.06130	0.5
61.02916	0.3
67.05503	0.4
68.02245	0.3
68.04984	0.3
69.03436	0.4
70.06589	0.5
70.08611	0.6
70.09031	1.3
72.08154	0.6
73.02912	3.9
79.05514	0.4
81.03435	0.4
83.06084	0.3
84.04509	0.7
84.08126	0.9
85.02894	0.6
85.04009	0.3
89.03915	1.0
91.05476	1.8
92.05006	0.3
93.07023	0.4
94.06490	0.3
94.10789	0.3
95.04966	0.4
98.20773	0.4
98.97603	0.4
103.05448	1.3
105.07015	1.0
106.06573	0.4
107.04959	0.4
107.08593	0.4
115.05476	2.5
116.04980	2.6
117.05731	1.0
117.07020	6.3
118.06538	22.8
119.08577	0.5
120.04471	0.4
120.08120	0.4
121.02856	0.5
121.06488	0.6
127.02063	0.3
130.06523	100.0
131.04881	0.4
131.07207	1.2
131.08418	0.3
132.08078	3.7
133.10046	0.3
134.05991	1.1
134.99678	0.5
142.06366	0.5
143.07288	5.5
144.08080	72.4
145.06479	2.4
145.08391	1.2
145.10178	0.5
145.52165	0.4
146.06041	1.8
149.06004	0.4
154.06500	1.4
155.06032	0.9
159.06789	0.5
160.07596	4.1
162.05495	86.4
163.05905	2.1
163.09784	0.4
166.04994	0.8
167.05481	0.5
172.07565	17.6
172.12042	0.6
190.04976	28.5
190.08566	10.0
190.12042	0.6
191.03430	0.5
191.05301	0.9
191.07024	1.0
191.08809	0.3
191.10680	0.4
191.14232	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	190.0498
Annotation	Unknow
Peak:m/z	Relative Intensity
55.28442	0.2
56.49946	0.2
58.47990	0.2
65.63555	0.2
70.90665	0.3
89.03899	1.3
116.04977	4.4
130.06548	0.3
134.05974	0.2
144.04399	0.9
144.08078	0.3
162.05495	100.0
163.05861	2.8
164.05905	0.2
170.27412	0.2
190.04984	29.6
191.05312	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	190.0497
Annotation	Kynurenic acid
Peak:m/z	Relative Intensity
56.05023	0.2
56.96556	0.6
60.04528	0.5
61.87745	0.2
62.57847	0.2
69.03402	0.2
70.06573	0.4
71.44974	0.4
72.08148	0.4
74.06068	0.2
75.05595	0.2
79.05476	0.5
81.03408	0.5
84.04494	0.2
85.02901	0.4
89.03944	0.7
91.05480	0.7
95.06052	0.3
98.97588	0.4
103.05494	0.3
105.07021	0.4
107.04990	0.3
110.07166	0.5
114.06629	0.3
116.04963	3.1
116.98562	0.3
118.06550	0.3
120.08089	0.8
121.02800	0.3
121.06543	0.2
128.02292	0.3
129.99561	0.5
130.06517	0.4
131.04855	0.3
131.97397	0.3
134.06021	0.7
142.06105	0.3
144.04420	0.7
146.06006	0.5
148.97441	0.4
161.04712	0.2
162.05484	100.0
163.05859	2.2
165.97868	0.2
167.97191	0.3
169.03511	0.3
172.07478	0.3
190.04970	32.3
190.08505	2.6
190.12202	0.5
191.03427	0.8
191.05334	0.9
191.06943	0.6
191.10664	0.4
191.14339	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	190.0348
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01842	0.4
56.04994	0.3
56.96558	8.7
57.03418	0.4
57.07066	1.5
58.99851	1.2
60.11592	0.3
67.18454	0.3
69.03400	0.7
71.74289	0.4
71.95246	0.6
74.97575	0.6
77.00885	1.1
78.18073	0.3
79.05496	0.4
81.03394	1.0
84.08112	0.8
91.05431	0.4
98.96967	0.5
98.97573	7.1
100.02460	1.4
101.00880	0.5
103.02436	0.9
104.02545	0.4
105.00346	0.4
105.02132	0.3
115.02399	1.3
116.97754	0.6
116.98604	10.2
117.98923	0.5
118.03511	1.2
118.08247	0.3
119.00216	0.4
119.01907	5.2
120.01995	0.8
121.01588	0.5
121.03511	0.6
122.03630	0.5
123.01148	0.3
129.03957	1.2
129.06584	0.3
129.98108	0.3
131.00148	0.9
131.01892	0.8
133.03447	1.2
134.99643	12.6
136.00003	0.6
136.38976	0.3
137.02925	2.1
137.10982	0.3
139.02380	1.6
140.00217	0.6
141.03946	0.5
142.03531	1.4
144.05051	0.3
145.03479	3.0
146.02965	0.3
146.99602	0.5
147.02856	0.3
147.04993	1.1
147.99124	0.4
148.00865	0.3
149.01173	5.5
151.04420	0.3
153.00682	2.4
156.05043	0.4
157.03462	6.0
158.01247	1.2
158.03659	0.3
159.01385	0.5
159.04987	0.7
161.02931	0.6
163.04489	0.9
166.00185	1.7
166.06256	0.4
167.01939	7.0
167.59644	0.3
168.05034	1.6
172.02780	1.1
175.04506	1.2
177.00945	1.3
179.00722	0.3
179.10500	0.7
180.05042	0.8
182.81078	0.3
184.04524	0.4
185.02936	100.0
186.03110	5.0
186.05991	0.5
187.03362	0.5
190.03651	1.7
190.08627	0.8
190.12323	0.4
191.02177	0.5
195.97968	1.3
199.49901	0.3
203.03981	25.2
204.04216	1.1
208.04535	10.4
209.04700	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1598
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	2.1
55.05501	1.1
55.28506	0.3
55.29284	0.3
56.05034	2.2
56.96273	0.5
56.96559	8.7
57.03443	2.7
57.04553	1.0
58.06586	0.7
59.04974	0.5
60.04515	1.2
60.05645	1.7
60.08158	21.6
61.02927	0.7
61.52031	0.3
67.05502	3.2
68.05017	0.5
69.03417	1.7
69.07056	1.0
70.06584	19.5
70.19283	0.3
70.98117	1.1
71.01340	0.4
71.04984	1.1
71.06917	0.5
71.71215	0.6
71.95263	0.6
72.08147	5.7
72.93771	0.8
73.02902	1.5
73.08475	0.8
73.14006	0.3
73.99026	0.3
74.02452	0.6
74.06052	0.6
74.07197	4.3
74.97578	0.8
79.05481	0.5
81.03409	1.0
83.01305	0.5
83.04985	0.5
83.44466	0.3
84.04520	0.6
84.08134	100.0
85.02912	2.3
85.04884	0.4
85.06529	1.6
85.08473	1.2
86.09699	2.7
87.04475	1.3
88.03987	0.4
88.99151	0.8
89.96465	0.4
91.05473	0.7
95.01360	0.5
95.05001	0.5
97.02873	1.9
98.09709	0.6
98.97575	7.6
99.04439	0.5
100.07571	0.5
101.00859	0.7
101.02371	2.3
102.09160	0.6
103.02453	0.9
104.01286	0.4
105.07004	1.0
106.96573	0.4
107.00174	0.6
107.04958	0.9
109.02863	0.6
111.00862	0.3
112.07607	0.4
112.08697	0.5
112.11230	0.5
113.11549	0.4
115.03911	1.7
115.05364	0.5
115.08703	1.2
115.09477	0.7
116.07079	6.1
116.98615	6.5
118.03497	0.5
118.08660	0.7
119.01896	2.7
119.08556	0.7
121.01658	1.8
121.03434	0.4
126.09176	1.9
127.01612	0.3
127.03952	0.7
128.02309	0.5
128.06212	0.8
128.98645	0.7
129.01860	0.7
129.10272	0.5
130.08629	38.3
131.01881	0.9
131.09038	0.5
131.99663	0.4
133.03491	0.6
133.10115	0.5
134.06033	1.2
134.99644	4.7
135.00587	0.5
135.03146	0.5
137.02921	0.8
139.00243	0.5
139.02632	0.6
140.00166	0.3
143.00064	0.4
143.01846	0.6
143.08533	0.8
143.11755	0.5
144.10188	0.9
144.11324	2.7
144.13799	3.1
145.03432	0.6
146.99670	1.1
147.01437	0.4
147.03162	0.4
147.05049	0.5
147.11584	0.4
147.96939	0.6
149.04713	0.4
150.96901	0.7
153.00630	0.4
155.04605	0.4
156.03694	0.4
157.01343	1.6
157.03513	0.6
158.09259	0.9
158.99654	0.5
159.02943	0.3
161.01213	0.5
161.02995	0.7
161.09552	0.5
162.05522	1.2
162.09068	0.4
165.00739	1.5
165.04210	0.4
165.97862	0.4
171.11685	0.5
172.09579	0.5
172.10843	1.3
172.15323	0.9
177.05920	0.5
183.01776	0.5
183.05045	0.4
185.02936	2.8
189.00685	0.8
189.09126	1.1
189.13544	4.7
189.16010	14.8
189.17758	1.0
190.05054	0.5
190.14397	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1597
Annotation	Unknow
Peak:m/z	Relative Intensity
54.84686	0.6
56.05030	2.2
56.93921	0.6
57.04550	1.0
58.07647	0.7
60.08161	22.1
67.05489	3.1
70.06586	8.4
70.24873	3.0
74.02432	1.0
74.07199	3.0
82.50417	0.7
84.08136	100.0
85.06531	1.1
85.08485	1.1
85.81638	0.6
88.74876	0.7
104.31180	0.7
105.98519	0.6
115.08704	0.7
116.07087	3.5
130.08635	35.8
136.60893	0.6
141.85435	0.8
144.11246	1.0
144.13847	2.8
163.72691	0.7
172.10886	1.1
189.13431	1.9
189.15987	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	189.1596
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	0.8
56.05035	2.0
56.96556	0.9
57.04556	4.3
58.06591	0.5
60.05641	0.6
60.08158	23.0
67.05495	2.9
69.03425	0.5
69.07044	0.5
69.96754	2.0
70.06584	39.9
71.04975	0.9
71.06928	0.4
72.08141	8.0
73.08487	0.4
74.07196	11.1
82.06586	0.5
84.08134	100.0
85.02847	0.5
85.06518	1.5
85.08471	1.0
86.09709	2.3
95.04961	0.4
98.06029	0.5
98.21133	0.8
98.97574	1.2
99.82069	0.3
101.02393	0.4
112.07595	0.5
112.08701	0.7
115.08683	2.5
116.07082	14.0
116.98631	0.9
118.08646	0.5
119.01936	0.7
126.10253	1.0
130.08627	33.7
133.03477	0.4
133.09729	1.4
134.99614	0.4
136.85121	0.3
138.75682	0.3
144.11304	5.8
144.13783	2.9
146.99606	0.4
157.01343	0.4
158.08066	0.6
158.09224	2.5
160.07571	0.4
171.12402	0.4
172.10857	1.8
189.13478	11.4
189.16014	14.7
190.16118	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1272
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	2.7
67.05484	1.6
69.03424	5.5
69.07053	1.6
70.06569	1.0
70.87666	1.9
70.87993	0.9
72.08143	1.6
79.05500	4.0
81.07044	2.1
84.08136	1.7
85.02883	0.8
85.04812	0.8
91.05457	9.2
93.07027	2.5
95.04937	2.6
95.08591	1.4
103.05434	1.4
105.07022	20.0
107.04957	1.4
107.08609	3.7
109.06516	1.3
115.05438	1.7
117.06998	6.0
119.08569	27.7
120.08878	1.1
121.06543	1.2
121.10117	1.8
128.06198	4.4
129.06973	4.6
130.07779	5.5
131.08560	9.0
133.06496	3.5
133.10112	9.3
135.08080	1.2
141.06979	10.1
142.07750	1.0
143.08559	8.7
144.09325	2.1
145.06465	3.2
145.10106	16.0
147.08044	12.1
147.10579	1.3
147.11694	16.0
153.06912	1.3
155.08527	3.2
156.09332	55.5
157.09778	1.5
159.08032	11.5
159.11696	13.9
160.08807	2.9
161.05971	1.2
161.09593	5.5
161.13225	9.0
162.05507	1.0
167.97980	0.8
171.11676	69.1
172.12051	1.6
174.10384	15.3
175.10733	0.8
180.22879	0.8
189.09093	2.9
189.12729	100.0
190.08661	1.4
190.13097	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	189.1271
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	1.5
55.05478	1.7
56.96545	2.5
58.99569	1.3
60.05619	2.2
63.09361	0.9
67.05478	2.2
69.03423	6.8
70.06581	8.9
71.74529	0.8
72.08115	1.7
73.00137	0.8
79.05466	3.9
81.07025	1.6
83.04967	2.0
84.04472	3.6
84.08109	2.0
85.02871	3.3
85.04816	3.0
86.09679	4.8
91.04931	1.2
91.05464	12.5
92.05797	1.0
93.07034	2.0
95.04951	1.6
95.08553	1.3
102.04724	1.5
103.05457	4.0
105.04523	0.9
105.06329	1.4
105.07015	21.3
107.04902	1.8
107.08546	2.3
109.06493	1.4
109.07635	1.2
111.04472	1.1
115.05434	6.1
117.07005	7.8
118.06514	1.5
119.04922	2.4
119.08562	20.2
120.08078	1.1
121.06490	1.7
121.10074	1.1
128.05312	1.5
128.06198	16.2
129.06973	15.2
130.04129	4.7
130.06480	1.4
130.07744	6.6
130.08650	2.0
131.04919	4.2
131.08556	8.6
133.01688	1.4
133.06470	4.6
133.10095	6.9
134.07118	0.9
135.08168	0.9
141.06969	13.6
143.08548	15.5
144.08182	1.3
144.09300	3.9
145.06433	3.0
145.10104	23.4
146.07176	2.7
146.10681	0.9
147.04375	1.5
147.08026	8.9
147.10577	1.7
147.11667	17.5
148.08600	1.1
149.09479	1.0
151.02664	0.9
155.06004	1.1
155.08514	3.3
156.09325	69.3
157.06494	4.6
157.09721	2.5
159.04402	1.5
159.08032	9.1
159.11667	19.9
160.05194	12.3
160.08769	2.8
160.12047	1.1
161.06032	5.8
161.09581	7.3
161.13254	2.3
162.05376	1.0
162.10243	1.6
165.74803	0.8
169.50214	0.8
171.11671	89.3
172.11989	2.5
174.06761	8.2
174.10368	10.5
189.05338	4.0
189.09108	16.3
189.12715	100.0
189.16331	2.9
190.08719	2.4
190.13029	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	189.1272
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67926	0.7
52.84863	0.8
53.03936	0.9
55.05486	3.3
59.05001	0.9
60.05638	1.1
60.08135	0.8
67.05493	2.6
69.03423	9.0
69.07053	1.9
70.06559	2.5
71.74487	1.1
72.08154	4.5
75.05786	1.0
77.51996	0.7
79.05476	3.4
81.07034	3.5
81.17133	0.7
82.06552	0.8
83.04973	2.1
84.04484	2.4
84.08114	4.8
85.02889	1.7
85.04818	1.4
86.09702	3.8
91.05472	12.6
93.07047	4.2
95.04945	1.9
95.08570	2.1
96.08129	1.8
103.05421	1.4
105.06327	1.6
105.07019	26.0
107.04918	1.3
107.08588	4.4
109.06461	2.4
109.07659	1.3
115.05428	3.1
116.04973	2.1
116.06238	1.0
116.98621	1.0
117.05324	1.0
117.06990	7.9
118.06493	1.2
119.04922	1.5
119.08561	30.9
121.10140	2.9
128.06187	8.7
129.06978	6.9
130.06523	1.9
130.07758	7.0
130.08614	1.2
131.08553	8.6
133.06479	4.2
133.10110	12.0
135.08025	1.5
141.06966	10.3
142.07736	2.2
143.06876	1.5
143.08542	13.8
144.08102	1.1
144.09308	2.4
144.21686	1.0
145.06479	4.1
145.10107	24.0
146.07181	1.6
146.10902	1.6
147.04376	1.5
147.06288	1.1
147.08029	12.3
147.10565	1.6
147.11667	21.4
155.08553	3.1
156.09328	64.6
157.06444	1.3
157.09698	2.5
159.08037	9.5
159.11664	13.6
160.08727	2.2
161.05977	1.5
161.09615	6.7
161.13268	6.8
162.05484	2.2
162.09071	1.0
171.11676	75.5
172.12065	1.2
174.06793	1.3
174.10385	11.3
189.05501	2.7
189.08961	6.7
189.12718	100.0
190.04980	1.4
190.08467	1.4
190.13005	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1273
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	6.7
55.05498	4.3
57.03432	2.3
59.04866	2.0
65.03934	2.0
67.05506	13.7
69.03408	3.3
69.07058	5.8
69.49466	21.2
70.06580	2.6
71.04994	1.8
72.08130	3.9
73.84730	2.1
75.87833	2.0
79.05484	15.2
81.03398	4.2
81.07068	10.7
83.04954	6.0
84.04498	3.7
84.08089	2.5
85.02879	2.4
91.04926	4.5
91.05473	67.4
93.07040	9.9
95.04958	5.0
95.08585	5.4
97.06519	3.5
103.05453	2.6
105.06334	2.7
105.07018	41.5
107.04922	4.4
107.08551	5.6
109.06438	2.0
110.92767	2.0
115.05431	5.6
117.07002	16.0
119.04859	2.2
119.08570	24.5
121.02823	2.4
121.06563	3.1
121.10093	2.5
128.06198	16.3
129.06982	33.3
130.07767	3.5
131.08521	6.9
133.06468	5.0
133.10120	19.5
141.06978	2.4
142.07791	2.7
143.08546	33.5
145.06485	2.9
145.10106	30.7
147.07990	10.1
147.11691	17.7
149.02310	5.6
156.09306	8.5
159.08040	2.4
159.11688	2.9
161.05971	6.2
161.09624	13.5
161.13226	12.4
162.05458	4.3
166.09904	1.9
166.56230	2.3
171.08061	2.7
171.11679	46.4
174.06775	2.2
189.05446	7.8
189.09071	10.6
189.12703	100.0
189.16286	4.1
190.08614	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	189.1233
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63698	0.2
52.04253	0.3
53.03931	0.5
53.31287	0.2
55.01863	1.1
55.05503	2.2
55.93513	0.3
56.05038	1.4
56.96557	8.6
57.03428	1.4
57.04552	0.5
58.05303	0.2
58.06598	1.9
59.05005	0.3
60.04511	0.9
60.05635	1.1
60.08158	5.2
61.02917	1.6
61.43364	0.2
65.03941	0.4
67.05502	1.5
68.05016	0.4
68.99776	0.3
69.03419	1.5
69.07064	4.7
69.52301	0.2
70.06584	9.6
70.95875	0.3
70.98086	0.3
71.01344	0.3
71.04976	0.5
71.71114	0.3
71.95261	0.4
72.04498	0.4
72.08148	14.9
72.93781	1.0
73.02908	0.8
73.08484	0.6
74.06059	0.4
74.07188	1.8
74.97602	0.7
79.05479	0.8
80.05002	0.3
81.03412	1.7
81.07034	0.5
82.06580	0.3
83.04980	1.1
84.04508	2.0
84.08134	23.4
84.96019	0.4
85.02900	2.3
85.04839	1.1
85.06541	1.6
85.08498	0.4
86.00644	0.5
86.06079	0.3
86.09698	100.0
87.04452	0.8
87.10026	1.5
89.96428	0.3
90.94809	0.8
91.04986	0.3
91.05453	1.4
92.05010	0.3
93.07046	0.5
95.01333	0.3
95.04960	0.4
95.06072	0.3
95.08624	0.4
96.08144	0.3
97.02893	1.8
97.06587	0.3
98.01275	0.3
98.97573	4.9
99.04458	0.5
99.08057	0.3
100.07599	0.5
101.02401	0.9
101.07206	0.3
101.07948	0.3
102.05539	0.4
102.09167	1.4
103.05463	0.5
105.07031	2.6
105.35969	0.2
106.06549	0.5
106.13994	0.3
107.04948	0.9
107.08639	0.4
108.08085	0.2
109.02914	0.4
110.01277	0.3
110.06059	0.3
110.97551	0.3
111.00812	0.7
111.04431	0.3
112.07594	0.4
112.08726	0.3
112.11250	0.3
114.09202	0.4
115.02332	0.5
115.03933	0.6
115.05453	1.2
115.08695	0.6
115.09470	0.4
116.00240	0.3
116.07082	2.0
116.98610	4.6
117.07010	0.9
119.01892	1.1
119.04942	0.6
119.08573	1.6
120.08127	0.3
121.01571	0.4
124.02798	0.3
126.05550	0.5
126.12792	1.0
127.03925	0.7
128.02356	0.5
128.06200	1.7
128.98622	0.5
129.01842	0.6
129.06914	0.6
129.10307	0.3
130.04965	0.4
130.07773	0.4
130.08623	9.4
131.00151	0.5
131.04948	0.2
131.08586	0.3
131.97397	0.4
131.99741	0.4
132.04471	0.3
132.95857	0.8
133.03442	0.3
133.06473	1.4
133.10123	1.0
134.06013	0.9
134.99644	5.3
135.04378	0.3
135.08070	0.2
138.02620	0.2
139.00275	0.7
140.00243	0.3
143.04903	0.3
143.08540	2.0
144.04495	0.3
144.06575	0.3
144.08153	0.5
144.10201	1.2
144.11354	0.8
144.13815	4.4
145.06491	0.3
145.10083	1.3
146.06024	0.4
146.96123	0.3
146.97353	0.4
146.99654	1.1
147.03117	0.9
147.04364	0.5
147.08067	0.8
147.11700	0.5
147.96880	0.9
148.09741	0.4
148.97418	0.3
149.01218	0.6
149.09454	0.3
150.00735	0.4
150.96892	1.1
153.00735	0.9
154.08609	0.6
155.04543	0.3
156.03616	0.5
156.09352	0.6
157.01385	0.9
158.01289	0.5
158.09276	0.4
158.99670	0.7
160.07565	7.4
161.01234	0.5
161.02928	0.2
161.04950	1.2
161.05962	1.3
161.07127	0.7
161.09633	0.6
161.13145	0.3
162.05484	7.4
162.07632	0.3
162.09094	0.3
162.10304	0.3
162.99223	0.3
163.02727	0.4
165.00769	0.8
165.04335	0.4
165.97926	0.6
166.00302	0.6
168.05437	1.9
168.55661	0.4
169.00244	0.3
169.01726	0.3
170.01224	0.4
171.04301	0.4
171.05588	1.0
171.08073	0.3
171.11665	1.2
172.10815	0.7
172.15251	0.2
173.04816	0.5
174.10330	0.3
177.00729	0.9
177.04449	0.3
177.05907	1.8
177.56104	0.3
179.56213	0.4
185.01378	0.3
185.02930	0.6
189.05432	0.9
189.06848	2.7
189.08850	1.3
189.12584	1.5
189.13585	1.4
189.15988	3.9
190.04980	2.7
190.14432	0.5
191.05899	0.5
197.01251	0.4
201.00623	0.2
207.05415	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.0916
Annotation	6-Acetamido-3-oxohexanoate
Peak:m/z	Relative Intensity
55.05490	1.4
56.05032	2.5
57.03423	1.5
58.06589	0.6
59.04988	2.5
59.73403	0.4
60.04512	1.7
61.02919	9.2
64.39796	0.5
67.05488	0.9
68.05035	0.8
69.03429	2.0
70.02946	2.3
70.06577	1.3
71.04986	1.9
71.74623	0.6
72.04506	0.7
72.08141	1.9
74.06068	0.5
75.04468	0.9
79.05489	0.5
81.03402	0.4
82.06579	3.4
83.04972	5.0
83.08670	0.3
84.04498	100.0
84.08128	1.2
85.02898	19.3
85.04840	1.2
86.00656	0.4
86.06058	1.2
87.04462	7.5
88.03982	0.5
90.08393	0.4
91.05453	2.2
95.04995	0.5
96.04491	0.8
98.06044	1.1
99.04443	0.5
100.07619	2.8
102.05521	0.9
103.05481	0.5
105.07020	1.9
110.06010	3.1
111.04432	1.8
114.05492	0.5
115.05441	1.1
118.06564	2.1
118.07293	0.4
119.08564	1.3
120.08080	1.6
124.07619	0.7
126.05502	4.6
128.06175	0.8
128.07066	7.2
129.05484	1.5
131.04961	0.4
131.08585	0.5
132.08914	0.5
133.10081	0.6
142.08649	0.8
143.07417	0.5
143.08580	1.2
144.08028	0.5
145.06473	0.6
145.10069	1.1
146.06067	3.0
146.08080	1.2
147.11655	0.6
156.09390	1.5
156.68712	0.4
159.11679	0.4
160.08582	0.6
160.09718	0.6
161.05838	0.5
161.09610	0.8
170.05995	0.5
170.08162	0.9
170.10429	0.5
171.08188	0.4
171.11691	1.7
171.15051	0.5
173.12019	0.5
188.07207	1.2
188.09221	9.8
188.10771	0.6
188.11656	0.6
188.14314	0.8
189.05466	0.6
189.09082	2.0
189.12758	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	189.1233
Annotation	H-ILE-GLY-OH
Peak:m/z	Relative Intensity
53.03929	0.2
55.01871	0.3
55.05497	0.8
56.05032	1.0
56.96555	1.1
57.03421	0.4
57.04545	0.2
57.05806	0.3
58.06586	0.6
59.04967	0.2
59.06091	0.2
59.87793	0.2
60.04523	1.1
60.05642	4.6
60.08155	2.1
61.02912	0.3
67.05508	0.8
67.51226	0.2
68.05013	0.3
68.99780	0.5
69.03419	0.6
69.07061	13.4
69.84696	1.1
70.06584	15.7
71.06921	0.3
72.04503	0.2
72.08144	3.3
73.02922	0.3
73.06538	0.2
74.06075	0.3
74.07203	0.7
75.05569	0.2
79.05484	0.6
80.05026	0.2
81.03415	1.5
81.07054	0.3
82.06579	0.4
83.04958	0.7
83.06104	0.2
84.04500	3.0
84.08135	9.4
85.02892	0.5
85.04843	0.7
85.06523	0.3
85.08487	0.2
86.00645	0.2
86.06051	0.6
86.09697	100.0
87.04469	0.4
87.10020	1.4
88.03967	0.3
90.94813	0.3
91.00507	0.2
91.05463	1.1
92.01720	0.3
93.07047	0.2
95.04968	0.3
95.08625	0.3
97.02882	0.4
97.05325	0.3
98.06046	0.6
98.21165	0.5
98.97574	0.6
100.47630	0.2
102.05560	0.5
105.07002	1.6
107.04921	0.2
107.08573	0.2
109.07597	0.2
110.02763	0.3
110.06046	0.3
110.07169	0.3
111.00816	0.5
111.04432	0.3
112.00972	0.2
112.07650	0.2
112.08713	0.7
113.07137	0.5
114.05468	0.2
115.05441	0.6
115.08645	0.3
116.07085	1.3
116.98630	0.6
117.07015	0.5
118.08642	0.2
119.01844	0.3
119.04976	0.2
119.08587	0.7
120.08108	0.5
121.01515	0.3
121.06526	0.2
121.07623	0.2
121.10226	0.2
124.07553	0.2
125.08336	0.4
126.05489	0.4
126.09169	0.8
126.12817	0.2
127.08690	0.2
128.02335	0.2
128.04968	0.2
128.06209	1.0
128.07039	0.2
129.01871	0.3
129.07359	0.2
129.10237	0.5
130.04991	0.9
130.08629	6.5
130.50771	0.2
131.08723	0.2
132.10233	0.2
133.04781	0.1
133.06535	0.3
133.10088	0.7
134.06010	0.3
134.99672	0.5
139.00269	0.9
142.18655	0.2
143.08521	1.2
143.11789	0.7
144.06583	0.2
144.10205	0.4
144.11272	0.4
144.13788	0.4
145.06523	0.3
145.10141	0.5
146.05986	0.3
146.07103	0.2
146.99738	0.3
147.04401	0.2
147.08044	0.3
147.11620	0.5
147.96815	0.2
150.96959	0.2
154.04967	0.3
155.08119	0.2
156.09360	0.6
161.05974	0.9
161.09654	0.5
161.13194	0.2
162.05507	0.5
171.08151	0.3
171.11618	0.9
172.03984	0.3
172.09566	1.1
172.11009	0.9
189.05339	1.4
189.06734	0.3
189.09132	1.0
189.10843	0.2
189.13773	2.1
189.15959	1.1
190.05074	0.5
190.08669	0.6
190.14487	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.0704
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83597	0.4
57.53807	0.4
61.34664	0.5
63.16465	0.4
71.55064	0.9
80.49811	0.5
87.22777	0.5
91.05482	4.4
115.05449	5.3
117.05746	1.6
117.06998	4.4
118.06532	75.4
119.06892	1.1
130.23657	0.5
132.08131	0.6
142.06511	6.1
143.07306	12.1
144.04399	0.7
144.08078	25.2
145.06488	0.7
145.08369	1.1
146.05995	100.0
147.06343	1.7
149.99861	0.5
153.32243	0.4
155.06033	0.7
160.07558	1.2
163.99173	0.4
170.05989	10.1
188.07062	17.0
189.07411	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.0704
Annotation	N-Methylquinolinium-2-carboxylate
Peak:m/z	Relative Intensity
53.17798	0.4
70.75686	0.5
70.76025	1.3
73.83768	0.4
84.04475	0.6
91.05468	6.9
103.05456	0.5
115.05437	8.0
117.05748	1.7
117.06992	5.6
118.06526	89.3
119.06860	1.5
132.08038	0.9
142.06508	8.4
143.07291	16.3
144.04420	0.7
144.08072	26.2
145.06485	1.3
146.05989	100.0
147.06326	3.0
155.05978	1.0
160.07561	1.3
170.05997	10.2
176.08305	0.4
177.65759	0.4
188.07056	20.7
193.69606	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.0914
Annotation	6-Acetamido-3-oxohexanoate
Peak:m/z	Relative Intensity
55.05502	1.2
56.05030	2.0
56.96552	1.0
57.03417	1.1
58.06598	0.4
59.04995	2.8
60.04524	1.6
61.02921	9.0
67.05499	0.4
68.05017	0.5
68.99771	0.4
69.03423	1.0
70.02955	3.0
70.06576	0.7
71.01351	0.3
71.04986	1.5
71.75753	0.3
71.95226	0.2
72.04507	0.6
72.08137	0.7
73.02906	0.4
75.04467	1.1
81.03408	1.3
82.06573	3.5
82.51718	0.2
83.04975	4.6
84.04496	100.0
84.08150	1.2
84.96031	0.2
85.02895	20.2
85.04816	1.4
85.06510	0.3
86.03193	0.3
86.06074	0.8
87.04454	6.1
89.03905	1.2
91.05476	1.1
95.05023	0.3
96.04485	0.7
98.06046	0.6
98.97574	4.2
100.07610	2.5
101.05983	0.4
103.05428	1.2
105.07008	0.8
110.06033	3.4
111.04401	1.6
112.03932	0.5
115.05466	0.5
116.04971	12.3
116.98616	3.2
117.05275	0.6
118.06528	3.0
119.08562	0.5
120.08078	2.8
124.07565	0.3
126.05494	4.9
128.04979	0.3
128.06143	0.4
128.07060	5.6
129.05482	1.2
129.06754	0.3
132.08072	0.4
133.06546	0.3
133.09958	0.3
134.99648	1.8
140.00159	0.4
142.06442	0.4
142.08638	0.6
143.07220	0.3
143.08600	0.4
144.08055	0.7
145.06145	0.6
146.05989	2.6
146.08128	1.1
147.06424	0.3
158.01285	0.3
158.99660	1.1
159.08063	0.4
160.08383	1.2
160.09633	0.4
161.05963	0.5
161.09558	0.3
170.08151	0.9
171.06522	0.4
173.05603	0.4
177.00670	1.3
188.07629	1.4
188.09218	8.7
188.11023	0.3
188.11581	0.5
189.05518	0.5
189.09125	0.6
189.12769	0.6
200.93823	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.1076
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	5.8
55.01845	2.7
55.05499	12.2
55.93526	8.9
56.05015	6.4
56.69641	1.3
56.94307	7.0
56.96351	1.4
56.96560	17.7
57.03420	4.4
58.06592	12.6
59.04993	1.4
59.59343	1.3
60.04509	5.5
61.02918	2.7
67.04215	2.1
67.05489	5.5
68.05004	2.2
69.03423	33.1
70.06218	1.4
70.06585	24.2
70.21074	1.3
70.95847	5.2
71.04967	5.7
71.74649	2.1
71.92992	3.8
72.04495	2.2
72.08128	6.5
72.93777	17.2
73.02879	3.1
73.94547	1.5
74.02433	20.5
74.06050	4.3
79.05462	2.8
80.04973	3.3
81.03410	55.9
81.07041	2.4
82.06573	100.0
83.01352	2.0
83.04956	3.6
83.06083	1.9
83.06892	2.0
83.08590	3.5
84.04494	27.6
84.08134	46.7
84.96037	1.5
85.02892	19.8
86.06049	2.9
87.04451	2.5
88.02208	11.2
88.96887	3.0
89.94001	4.1
90.94817	13.1
91.05458	5.8
93.07034	1.7
95.04916	3.3
96.04418	1.7
96.08108	1.4
97.02895	7.0
98.06035	2.8
98.97552	4.0
99.04470	6.9
99.09207	15.8
100.07599	16.2
101.00880	2.0
102.94777	1.7
105.07005	6.0
105.97159	1.9
107.95061	2.9
108.95854	4.8
109.02867	15.1
110.06006	2.6
112.07588	2.3
113.05979	2.9
113.96376	4.0
114.05512	5.2
114.09151	2.1
115.05332	2.1
116.06276	2.4
116.07079	24.6
116.98598	6.1
117.07007	3.8
119.01894	16.2
119.08528	2.5
121.01649	3.1
123.09165	19.4
123.94549	1.8
124.07576	15.7
125.96097	5.5
126.09139	1.4
127.03902	8.3
127.05839	3.8
127.09466	2.7
127.12322	15.5
128.06213	5.0
128.07063	55.0
128.10713	1.9
128.98651	2.5
129.06989	4.6
130.08649	5.6
131.01907	2.7
131.04883	4.0
131.08554	13.7
131.97398	5.7
132.95799	9.9
133.01601	4.2
134.99626	6.6
136.95348	1.5
137.02928	6.5
139.02620	1.6
139.05821	3.6
141.05443	1.7
141.07004	5.1
141.10210	75.8
142.03381	2.0
142.04942	2.8
142.08624	31.2
142.12238	1.9
143.08537	4.6
144.05670	2.4
144.09277	3.2
144.95824	14.6
145.03458	3.3
145.06430	2.7
145.09894	6.4
146.06061	1.8
146.08095	3.6
146.96115	2.0
150.96883	11.4
153.06906	1.9
154.07695	3.9
158.07153	1.4
159.06903	3.3
159.08043	6.9
159.11659	8.1
162.96890	18.8
162.99124	3.2
163.02780	1.7
164.98381	1.7
167.97437	1.9
168.95818	2.3
169.03534	1.9
169.04903	2.5
169.06535	1.4
169.10107	5.8
170.04491	1.9
170.08107	27.8
170.11749	26.4
172.08852	2.6
173.00810	4.5
173.02936	2.4
173.98459	2.4
186.96921	2.8
186.99181	2.0
187.02541	2.4
187.04393	2.8
187.06017	8.3
187.07709	7.3
187.10950	65.9
187.14392	27.4
188.07115	1.9
188.09137	6.3
188.12764	3.3
205.02876	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.1076
Annotation	L-Alanyl-L-proline
Peak:m/z	Relative Intensity
53.03939	0.7
55.01865	8.8
55.05507	8.1
56.05026	2.5
56.96541	0.8
57.03408	0.6
60.04514	0.7
60.56530	0.4
67.05489	3.4
68.05016	0.6
69.03425	2.8
69.07040	0.8
69.87228	0.9
69.87632	2.2
70.02941	1.0
70.06583	4.0
71.01315	0.6
71.04980	1.2
72.08147	6.9
72.93767	1.1
76.81987	0.5
79.05494	3.0
81.03413	4.0
81.07046	30.9
82.06570	2.2
83.04964	0.8
83.08607	16.4
84.04491	8.3
84.07654	0.5
84.08134	6.7
85.02899	3.4
85.06528	5.9
86.09686	1.5
88.02208	2.6
90.94814	0.6
91.05455	3.5
95.04928	0.7
95.08560	0.6
96.08092	1.1
98.06069	0.5
98.09680	28.1
98.20775	0.7
99.04403	0.5
99.08123	0.6
99.09993	0.5
100.07596	0.5
101.07120	0.4
105.07011	1.3
108.08101	4.9
109.02855	0.7
109.06510	5.4
109.07630	0.5
110.06023	1.2
113.07099	0.8
114.05533	0.6
115.05354	0.6
116.06213	0.8
116.98648	0.6
117.06997	1.8
118.06532	3.0
119.08580	0.7
124.07561	1.0
125.07090	0.8
126.09138	42.7
127.03893	1.2
127.05843	0.8
127.07530	1.6
127.08631	1.1
127.09491	1.0
128.06189	2.3
128.07051	0.9
129.05466	0.5
129.06950	1.5
131.04872	0.7
131.08574	4.4
134.99687	0.5
141.06955	1.5
142.08638	1.1
143.07272	0.9
143.08504	1.7
144.05655	0.7
144.08083	1.2
144.09221	0.8
145.06482	1.4
145.10085	1.5
146.06017	3.6
151.08662	8.7
152.07039	0.6
154.07700	1.7
159.07011	0.6
159.08102	3.2
159.11687	2.7
168.31505	0.5
169.09705	100.0
170.06087	0.5
170.07997	0.5
170.10062	1.7
170.11688	0.5
172.08820	0.6
173.00809	1.6
187.02277	0.5
187.03790	0.6
187.07492	4.0
187.10994	15.4
187.14723	1.4
188.06984	1.1
188.09108	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.1076
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	5.8
55.01845	2.7
55.05499	12.2
55.93526	8.9
56.05015	6.4
56.69641	1.3
56.94307	7.0
56.96351	1.4
56.96560	17.7
57.03420	4.4
58.06592	12.6
59.04993	1.4
59.59343	1.3
60.04509	5.5
61.02918	2.7
67.04215	2.1
67.05489	5.5
68.05004	2.2
69.03423	33.1
70.06218	1.4
70.06585	24.2
70.21074	1.3
70.95847	5.2
71.04967	5.7
71.74649	2.1
71.92992	3.8
72.04495	2.2
72.08128	6.5
72.93777	17.2
73.02879	3.1
73.94547	1.5
74.02433	20.5
74.06050	4.3
79.05462	2.8
80.04973	3.3
81.03410	55.9
81.07041	2.4
82.06573	100.0
83.01352	2.0
83.04956	3.6
83.06083	1.9
83.06892	2.0
83.08590	3.5
84.04494	27.6
84.08134	46.7
84.96037	1.5
85.02892	19.8
86.06049	2.9
87.04451	2.5
88.02208	11.2
88.96887	3.0
89.94001	4.1
90.94817	13.1
91.05458	5.8
93.07034	1.7
95.04916	3.3
96.04418	1.7
96.08108	1.4
97.02895	7.0
98.06035	2.8
98.97552	4.0
99.04470	6.9
99.09207	15.8
100.07599	16.2
101.00880	2.0
102.94777	1.7
105.07005	6.0
105.97159	1.9
107.95061	2.9
108.95854	4.8
109.02867	15.1
110.06006	2.6
112.07588	2.3
113.05979	2.9
113.96376	4.0
114.05512	5.2
114.09151	2.1
115.05332	2.1
116.06276	2.4
116.07079	24.6
116.98598	6.1
117.07007	3.8
119.01894	16.2
119.08528	2.5
121.01649	3.1
123.09165	19.4
123.94549	1.8
124.07576	15.7
125.96097	5.5
126.09139	1.4
127.03902	8.3
127.05839	3.8
127.09466	2.7
127.12322	15.5
128.06213	5.0
128.07063	55.0
128.10713	1.9
128.98651	2.5
129.06989	4.6
130.08649	5.6
131.01907	2.7
131.04883	4.0
131.08554	13.7
131.97398	5.7
132.95799	9.9
133.01601	4.2
134.99626	6.6
136.95348	1.5
137.02928	6.5
139.02620	1.6
139.05821	3.6
141.05443	1.7
141.07004	5.1
141.10210	75.8
142.03381	2.0
142.04942	2.8
142.08624	31.2
142.12238	1.9
143.08537	4.6
144.05670	2.4
144.09277	3.2
144.95824	14.6
145.03458	3.3
145.06430	2.7
145.09894	6.4
146.06061	1.8
146.08095	3.6
146.96115	2.0
150.96883	11.4
153.06906	1.9
154.07695	3.9
158.07153	1.4
159.06903	3.3
159.08043	6.9
159.11659	8.1
162.96890	18.8
162.99124	3.2
163.02780	1.7
164.98381	1.7
167.97437	1.9
168.95818	2.3
169.03534	1.9
169.04903	2.5
169.06535	1.4
169.10107	5.8
170.04491	1.9
170.08107	27.8
170.11749	26.4
172.08852	2.6
173.00810	4.5
173.02936	2.4
173.98459	2.4
186.96921	2.8
186.99181	2.0
187.02541	2.4
187.04393	2.8
187.06017	8.3
187.07709	7.3
187.10950	65.9
187.14392	27.4
188.07115	1.9
188.09137	6.3
188.12764	3.3
205.02876	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.0752
Annotation	4,4'-Dihydroxybiphenyl
Peak:m/z	Relative Intensity
53.03949	0.8
55.05505	0.5
56.96577	0.5
61.42162	0.4
62.77026	0.5
67.37238	0.5
69.03417	3.4
70.06571	0.6
70.88964	1.4
71.05013	0.8
77.20813	0.4
81.03419	5.1
81.07052	0.5
82.82140	0.5
83.08623	0.8
84.04501	1.4
84.08126	1.2
85.02898	1.5
88.02213	1.2
88.07603	0.5
91.05470	14.7
92.05775	0.5
93.45533	0.5
97.02813	0.5
99.04460	0.7
102.51823	0.5
103.05467	2.2
105.07039	0.6
108.83801	0.4
108.84586	0.5
109.02860	1.1
114.05511	0.6
115.05422	4.5
116.06232	14.8
117.07014	1.4
118.06544	0.5
127.03922	0.7
127.05463	2.0
128.06213	17.9
129.06996	18.7
131.04919	6.9
131.05890	0.8
131.08548	10.7
133.06529	0.5
141.07007	1.9
142.08650	0.6
143.08542	0.7
144.05688	29.4
145.05377	0.6
145.06471	5.8
145.10097	1.1
147.08041	1.8
154.64870	0.5
155.04883	3.0
155.06044	3.5
156.05684	10.7
157.06451	1.1
157.07617	1.1
158.07274	0.6
159.08041	84.4
159.11687	1.6
160.08366	3.1
169.10162	0.8
171.04358	0.9
172.05185	8.4
181.34660	0.5
187.07524	100.0
188.07883	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	187.0753
Annotation	4,4'-Dihydroxybiphenyl
Peak:m/z	Relative Intensity
53.03937	1.2
55.05504	0.5
56.05033	0.4
57.03421	0.5
59.01858	0.3
61.02902	0.3
67.05489	0.7
69.03084	0.5
69.03425	6.1
70.06577	0.6
70.56626	1.1
71.04977	0.5
79.05503	0.5
79.55498	0.3
81.03409	10.1
82.06557	0.3
83.04981	0.4
83.08616	1.1
84.04497	2.7
84.08138	1.3
85.02903	2.6
86.03226	0.5
88.02216	2.6
91.05472	3.2
95.04959	0.7
97.02888	0.6
99.04462	0.7
103.05450	0.8
105.03403	0.3
105.07029	1.3
105.94287	0.3
107.08649	0.3
109.02882	2.1
109.06488	0.3
110.06017	0.4
114.05524	1.0
114.45364	0.3
115.05450	1.7
116.06262	2.1
117.07021	1.6
118.06475	0.4
119.08565	0.6
126.05524	0.4
127.03919	1.1
127.05797	0.5
128.06212	2.7
128.07039	0.7
129.06984	2.6
130.07787	0.6
131.04945	0.5
131.08551	4.6
132.08092	0.3
132.48015	0.3
136.13023	0.2
141.06932	1.8
143.08496	1.5
144.05687	45.9
144.09361	0.7
145.06261	1.3
145.10086	2.1
154.07730	0.8
155.04901	0.5
155.06061	0.4
156.05664	0.7
157.06454	0.8
157.10130	0.4
158.07224	0.3
159.06941	0.6
159.08061	7.3
159.09340	0.5
159.11714	2.2
169.04939	0.5
169.10083	1.2
170.08192	0.3
172.05182	39.3
173.05527	1.1
187.07523	100.0
187.11070	9.3
187.14745	1.5
188.07909	3.2
188.09264	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.0751
Annotation	4,4'-Dihydroxybiphenyl
Peak:m/z	Relative Intensity
51.02371	0.7
53.03960	2.2
54.87259	0.6
55.01876	0.7
55.05506	1.0
57.03434	0.7
59.06147	0.7
61.02944	0.9
62.05787	0.6
67.05515	1.1
67.09933	0.6
69.03426	10.7
69.03779	0.9
70.06595	0.9
71.04996	1.7
71.75932	0.6
72.08119	0.6
73.40605	0.5
79.05498	1.0
81.03410	20.7
81.07076	1.6
82.06565	0.6
83.04981	0.6
83.08630	1.1
84.04504	4.8
84.08155	2.3
85.02904	5.3
86.03242	0.9
87.04488	0.5
88.02198	4.1
91.05470	15.3
91.06026	0.8
93.07077	0.5
95.08608	0.8
97.02892	1.3
99.04441	2.0
103.05461	2.5
105.03403	0.8
105.07027	2.4
107.67818	0.5
109.02872	4.2
114.05573	0.9
115.05387	5.9
116.06235	13.3
116.07051	0.8
117.05794	0.5
117.07008	2.1
118.06490	0.8
119.04992	0.8
126.05502	0.7
127.03944	2.5
127.05499	2.3
128.06207	17.8
129.06996	20.7
129.07970	1.2
129.10214	0.6
130.07790	0.6
131.04916	6.8
131.08551	14.0
132.08093	0.6
133.10114	0.6
134.99539	0.6
141.06969	2.8
143.08559	2.6
144.05682	33.9
144.09329	1.3
145.06503	5.5
145.10106	4.5
146.05949	1.1
147.04366	0.7
147.08018	2.2
154.07730	1.4
155.04897	5.4
155.06041	3.2
156.05675	9.3
157.06378	0.8
157.07610	0.7
159.08044	76.5
159.11624	4.3
160.08408	2.2
169.06454	0.6
169.10097	1.7
170.08034	0.5
171.04373	0.8
172.05179	9.9
172.08727	1.0
185.07108	0.6
187.07521	100.0
187.11098	14.3
187.14767	3.3
188.07874	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.0752
Annotation	4,4'-Dihydroxybiphenyl
Peak:m/z	Relative Intensity
53.03952	1.4
60.80958	0.4
67.05516	0.7
69.03419	6.0
70.06606	0.8
70.10247	2.4
71.04976	0.7
72.95596	0.5
79.05499	0.9
81.03411	10.1
81.07077	0.5
83.04943	0.6
84.04494	3.4
84.08163	1.4
85.02895	3.3
85.06502	0.5
88.02198	2.4
91.05476	13.7
92.52477	0.5
97.02893	0.7
99.04427	1.1
103.05458	2.7
105.07038	1.5
109.02894	2.0
114.05529	1.0
115.05388	4.5
116.06223	14.7
117.07018	1.5
118.06555	0.7
119.04903	1.0
123.04505	0.5
127.03927	1.2
127.05486	1.7
128.06212	18.3
128.07170	0.9
129.06993	18.4
131.04927	6.6
131.07059	0.5
131.08553	11.0
137.15199	0.6
141.06985	2.2
142.07779	0.5
143.08553	1.8
144.05682	31.4
144.09322	0.8
145.06482	6.4
145.10072	2.6
147.08072	2.0
154.07806	0.8
155.04857	1.7
155.06044	4.0
156.05684	9.7
158.07298	0.8
159.08040	82.0
159.11661	2.1
160.08437	2.5
160.09621	0.7
169.09993	0.6
171.04393	0.7
172.05182	7.4
172.08897	0.6
173.00839	0.5
187.07520	100.0
187.11070	10.7
187.14806	1.1
188.07930	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.0752
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.1
55.05501	1.0
55.34079	0.5
60.04518	0.5
61.02917	0.5
67.05495	1.0
69.03423	6.0
69.59007	3.2
69.59427	1.3
70.02966	0.6
70.06596	0.8
71.01318	0.6
71.04971	0.7
81.03409	11.3
81.07056	0.9
83.04958	0.9
83.08611	1.0
84.04493	3.8
84.08131	2.0
85.02890	2.4
86.03236	0.7
88.02216	3.1
91.05470	14.4
92.05840	0.5
93.07030	0.7
97.02905	0.7
98.20708	1.2
99.04436	1.0
103.05444	2.8
105.07030	1.1
109.02876	2.5
114.05494	0.7
115.05402	4.8
116.06232	13.4
117.07000	1.9
119.04906	1.0
119.08569	1.0
127.03904	1.6
127.05455	1.7
128.06213	19.4
128.07019	0.8
129.06995	19.7
131.04906	6.9
131.08554	13.5
135.93369	0.6
141.05490	0.6
141.06992	2.8
142.08696	0.9
143.08537	1.8
144.05690	29.8
144.09312	0.9
145.06485	4.8
145.10103	3.0
146.05966	0.7
147.08006	1.5
154.07808	0.7
155.04878	2.4
155.05928	2.6
156.05688	10.0
157.06439	1.4
159.08041	84.8
159.11598	3.3
160.08414	2.1
169.04979	0.6
169.10098	1.7
172.05183	7.0
172.08812	1.6
173.00810	0.7
187.07526	100.0
187.11096	15.4
187.14816	2.1
188.07822	2.5
188.09315	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	185.0806
Annotation	2,3-dimethoxy-5-methylhydroquinone
Peak:m/z	Relative Intensity
53.03946	1.0
55.01865	0.6
55.05493	1.1
57.03431	19.2
59.04995	2.1
59.17681	0.5
65.03930	0.5
67.01852	1.3
67.05492	1.4
68.99764	0.6
69.03426	2.1
69.07069	1.0
70.06575	0.6
71.00127	1.3
71.04982	1.6
71.52125	0.4
72.08135	0.8
79.05483	9.7
81.03407	0.8
81.07046	5.4
82.04195	0.6
83.04955	4.3
84.08152	0.4
85.02945	0.9
85.06522	2.0
91.05464	1.4
93.07005	0.8
95.01306	0.8
95.04952	1.3
96.85029	0.4
97.06519	4.7
99.04434	2.7
107.04939	1.5
108.05725	1.8
109.06494	1.2
110.03659	1.0
111.04430	33.8
111.08060	4.7
113.09679	0.5
114.05534	0.9
115.07611	0.6
121.10082	0.8
123.08046	2.1
125.02337	10.6
125.05974	14.0
125.06900	0.8
126.05465	0.6
127.03896	5.1
128.06197	0.5
129.06999	0.7
135.04449	0.9
139.06451	0.6
139.07526	10.3
139.11163	0.6
140.07858	0.5
142.07806	0.7
143.08546	1.0
150.19362	0.4
153.05437	2.1
155.03348	0.5
156.04155	12.7
157.10097	0.6
167.07019	0.8
185.08075	100.0
185.13284	1.7
186.08423	3.0
196.17197	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	185.0322
Annotation	Unknow
Peak:m/z	Relative Intensity
55.00740	6.6
56.96554	42.1
69.03403	10.6
70.06568	8.5
71.35959	14.8
73.82643	7.3
81.45898	7.6
82.92237	7.4
87.03348	8.0
101.00854	14.7
119.01913	100.0
120.01992	67.9
121.01672	22.1
126.58047	7.1
131.01889	30.3
137.02940	27.6
138.03043	27.3
139.02634	9.6
142.01711	17.8
143.03691	11.6
145.03415	11.3
160.02832	41.3
161.03009	9.5
162.03015	18.2
173.02933	15.4
187.04460	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	185.0808
Annotation	Chaetoquadrin F
Peak:m/z	Relative Intensity
53.03936	2.4
55.01859	1.8
55.05508	3.9
56.05027	1.3
57.03416	1.2
57.07057	0.6
58.06587	1.0
59.06112	1.4
60.04515	0.7
65.03929	1.9
67.01863	7.1
67.05502	5.4
68.05023	1.5
68.99765	1.8
69.03420	13.4
69.04508	0.6
69.07046	1.5
70.02930	0.5
70.06332	0.4
70.06592	4.5
70.10372	0.4
71.05008	2.7
71.74881	0.5
72.08141	4.7
73.02912	1.2
73.30468	0.5
79.05147	0.4
79.05496	5.0
80.05006	0.7
81.03409	2.7
81.07040	2.1
82.04180	2.1
83.04981	3.4
83.06084	1.4
83.48586	0.5
84.04487	2.4
84.08132	3.4
85.02898	7.4
85.06515	1.1
86.06054	0.5
86.09698	3.9
86.18221	0.5
87.04465	1.2
91.05480	1.1
93.03379	1.3
93.07020	2.1
95.01334	0.8
95.04961	3.8
95.08593	1.0
97.02898	1.5
97.06521	21.7
97.07610	1.5
98.06054	1.0
98.07195	0.6
98.97582	0.5
99.04443	3.5
99.05563	1.0
101.02352	0.6
102.96841	0.5
105.07014	1.1
107.04953	1.4
107.08579	1.2
109.02878	1.4
109.06528	0.7
109.07603	1.0
110.07155	1.1
111.04434	19.7
111.05579	0.9
111.08069	11.0
111.08848	0.7
111.09193	0.8
112.07602	0.7
113.06001	7.3
114.05515	10.3
116.07103	0.5
117.03353	1.1
119.03405	1.2
121.06473	1.0
121.07634	0.6
121.10098	1.2
123.04404	1.5
123.09194	0.5
125.02345	42.2
125.05977	100.0
126.02647	0.5
126.05492	6.4
126.06424	2.3
127.03922	4.2
127.08653	1.4
128.06209	2.1
128.07106	0.7
129.07008	3.4
129.10170	0.6
130.06462	1.2
135.04404	2.7
138.05286	0.5
138.98967	1.0
139.01807	1.1
139.03891	1.0
139.07530	11.3
139.08644	0.4
139.11157	0.6
140.07048	2.4
141.05453	30.5
142.05910	0.6
142.07770	2.6
142.09749	1.0
143.08539	4.1
144.06688	0.5
144.07658	2.9
145.02774	0.6
149.05992	0.8
149.07079	0.6
155.08606	0.6
156.09261	0.9
157.04951	0.7
157.06425	0.7
157.10104	3.9
158.06017	0.9
163.01817	1.2
167.07028	21.9
167.10721	0.7
168.07597	1.1
168.11314	1.7
169.07193	0.6
170.10899	1.4
181.02882	1.6
185.04486	1.0
185.05826	1.1
185.08151	13.0
185.09569	1.0
185.10712	0.7
185.13156	5.7
186.05530	0.6
186.07617	3.9
186.11214	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0728
Annotation	O-Phosphocholine
Peak:m/z	Relative Intensity
52.88464	0.4
56.05033	1.1
58.06614	1.1
60.08158	20.6
70.27581	2.1
71.07365	11.1
86.06068	0.5
86.09698	100.0
87.10033	1.7
98.98458	20.3
101.95030	4.2
104.10730	4.2
112.42477	0.4
116.99487	0.6
119.96091	2.3
124.99991	82.8
126.00322	0.5
137.97098	2.0
143.01039	1.2
155.98111	0.8
160.98752	0.9
164.44067	0.5
166.02638	0.6
184.07330	96.8
185.07625	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0732
Annotation	O-Phosphocholine
Peak:m/z	Relative Intensity
53.03946	0.8
53.68780	0.4
55.01867	1.3
56.05017	1.6
56.96561	0.9
57.03430	2.0
58.06593	0.5
59.13835	0.4
60.08157	19.8
61.02917	1.1
69.03419	1.9
70.06589	1.3
71.07363	10.7
71.59840	0.5
71.60195	0.6
73.02902	5.8
74.03234	0.5
81.03410	1.4
82.06609	0.5
84.04489	0.5
84.08140	0.6
85.02892	2.8
86.06059	0.6
86.09695	100.0
87.04463	1.1
87.10023	1.7
97.02886	1.5
98.03201	0.5
98.06061	0.6
98.97519	0.9
98.97761	0.9
98.98454	17.7
101.00870	1.8
102.00960	0.5
102.52445	0.5
103.00690	0.6
104.10724	4.7
112.02715	0.5
115.02359	0.5
119.01909	7.5
120.02031	1.6
121.01657	1.7
123.04494	0.5
124.07528	0.9
124.99989	84.5
126.00341	0.5
127.03915	1.2
129.53030	0.5
131.01846	1.3
132.02003	0.7
133.01602	1.2
133.03368	0.6
137.02922	1.4
138.05464	0.8
138.09146	1.2
143.00964	0.9
143.01883	1.3
144.01927	1.0
145.01620	0.6
145.03419	0.7
147.01430	0.6
147.03229	1.0
149.02960	0.5
155.01852	0.9
157.03601	0.5
161.02917	3.0
162.03062	1.4
163.02744	1.3
166.08592	1.0
173.02942	1.2
174.03131	1.3
175.02705	1.6
179.03998	0.5
184.07324	92.6
185.02962	0.8
185.07660	1.2
185.09120	0.7
186.03162	1.3
187.02711	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0967
Annotation	chaetoglocin D
Peak:m/z	Relative Intensity
50.12117	0.6
53.03931	1.2
54.03456	0.7
55.01854	3.1
55.05497	3.0
55.97066	0.6
56.05010	2.1
56.96567	4.0
56.96800	0.7
57.07066	5.6
58.06583	1.3
59.06105	1.9
60.04508	1.4
60.08148	3.2
61.02896	1.0
65.03931	1.4
66.07345	0.7
67.05495	18.9
68.05000	3.0
69.03410	2.1
69.04539	1.5
69.07045	4.2
69.87018	4.9
70.02953	1.0
70.06582	7.9
71.04967	2.3
71.07349	2.3
72.04510	1.8
72.08134	3.3
73.02898	3.2
74.06074	0.8
79.05472	2.7
80.04999	1.8
81.03410	2.4
81.07037	4.2
82.06557	4.5
83.04961	2.8
83.06074	2.1
84.04484	3.0
84.08136	3.6
85.02894	1.2
85.06520	2.7
85.07620	1.1
86.06063	1.9
86.09698	27.6
88.07574	0.8
90.05550	0.9
91.05478	0.8
93.06988	1.1
94.06563	2.2
95.04955	28.3
95.06059	2.2
96.04468	2.8
96.05299	2.1
96.08123	12.4
97.06490	1.3
97.07637	2.6
97.10194	1.1
98.06053	2.3
98.07223	1.1
98.97561	2.0
98.98456	4.7
99.05562	1.3
100.03955	2.3
101.00870	1.4
101.94998	1.0
104.10715	1.6
105.03370	3.0
106.03723	1.7
106.06530	1.4
107.04942	0.7
109.02843	1.0
109.07601	2.4
110.06042	3.2
110.07147	1.5
110.09647	0.9
111.04427	0.9
111.09193	0.9
112.07582	4.3
113.05981	5.8
113.07116	1.1
114.05488	1.1
114.09176	1.0
116.98602	2.3
116.99377	0.8
119.01900	10.8
119.96022	0.9
120.02008	0.9
121.06480	1.1
121.07588	1.6
123.04424	1.2
124.07576	100.0
124.99995	15.1
125.06014	0.7
125.07088	2.0
125.07951	2.2
126.05556	0.8
127.08683	0.8
128.07056	1.8
129.06975	1.8
130.01016	0.9
130.08638	1.2
131.06990	4.6
134.99635	1.1
137.02911	5.4
137.97157	0.8
138.05540	3.7
138.06433	1.1
138.09117	3.0
138.10150	0.7
139.03873	1.0
139.07617	1.3
139.08601	1.4
142.03485	2.5
142.05009	1.0
142.07675	1.3
142.08635	9.9
142.09674	1.3
143.08554	2.1
149.02362	0.9
149.07123	1.6
155.98105	0.7
156.06439	1.1
156.07632	1.1
156.09004	0.7
156.10217	2.2
156.13881	1.2
157.10078	1.2
160.04504	1.0
161.02907	0.9
166.04971	1.6
166.08595	10.4
166.09753	1.2
167.03387	1.2
167.08092	1.6
169.09679	1.7
179.03853	1.1
184.06021	1.7
184.07350	19.5
184.09685	49.7
185.04474	1.3
185.09862	1.7
185.13213	2.4
197.19888	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0455
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05473	0.4
56.05013	0.9
56.96561	6.7
57.03408	0.9
58.06589	0.9
58.99865	0.5
61.01135	0.4
61.02911	0.8
61.35059	0.3
65.92601	0.3
67.05479	0.4
67.12704	0.4
68.05023	0.6
69.03411	1.6
70.06577	2.7
70.66521	0.9
70.95860	0.8
70.98141	0.4
71.04970	0.7
72.08141	1.1
72.92699	0.4
72.93777	0.5
73.02906	0.9
74.97597	0.4
79.05485	0.4
80.94957	0.8
81.03406	1.0
82.06564	0.8
82.42768	0.3
82.99828	1.0
84.04499	0.7
84.08154	1.9
84.96014	0.5
85.02889	1.1
86.06068	0.4
86.09691	1.2
87.04430	0.4
91.05493	0.4
96.08126	0.7
97.02880	1.3
98.06038	0.4
98.09639	0.5
98.97594	2.8
100.02477	1.3
101.00864	13.4
101.95014	0.7
102.00966	0.7
104.52888	0.5
106.81570	0.4
108.04279	0.4
108.08116	0.5
110.07185	0.6
110.09659	0.6
110.65912	0.4
113.07086	0.4
114.03022	0.3
115.02402	0.8
116.98612	2.1
118.03495	1.3
119.01906	100.0
120.01990	4.8
120.03270	0.6
121.01609	0.8
121.97569	1.3
124.02435	1.4
124.07604	0.6
128.02316	0.5
128.98529	0.5
129.10152	0.4
131.01875	0.8
133.01633	1.6
133.03442	1.1
134.99622	1.7
136.07547	0.8
137.02943	41.0
138.03084	1.9
138.05482	0.9
138.09122	1.0
139.03410	0.5
141.99405	0.6
142.03488	21.0
142.96558	0.7
143.00198	0.5
143.01878	1.7
143.03609	1.6
144.02002	0.5
145.03436	0.8
146.99593	0.5
150.05508	0.5
150.70677	0.4
151.02789	0.9
151.04858	1.6
156.03197	1.0
157.03519	0.8
157.14395	0.4
160.03107	0.7
160.04530	8.3
160.97511	0.4
161.01367	0.8
161.02940	12.5
161.04543	1.7
162.03084	0.5
162.04305	0.5
163.02711	0.5
165.05093	1.3
165.96556	0.8
166.03641	0.5
166.05022	0.9
166.08609	1.7
173.02951	0.5
174.04381	0.5
175.02769	0.4
179.02399	1.0
179.03970	11.6
179.05339	0.6
183.97571	1.0
184.04491	2.7
184.09660	3.8
184.13356	1.3
185.02859	0.6
202.03897	1.0
202.05656	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.095
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	5.5
55.01860	1.7
55.05509	34.0
56.05016	2.2
57.03429	1.6
57.07063	0.9
57.98778	1.1
58.99582	100.0
59.06125	0.8
61.00857	1.2
61.01149	17.7
65.03931	2.8
67.04230	1.2
67.05501	24.3
68.05026	5.7
68.05826	1.0
69.03417	1.2
69.07066	7.1
69.98829	3.5
70.06584	3.0
71.04980	2.9
72.08144	2.8
73.01129	1.9
74.00648	5.6
75.01452	4.4
76.02203	3.4
77.03914	0.9
79.05478	7.3
80.05014	3.7
81.03401	2.4
81.04539	1.1
81.07053	17.6
82.06556	1.5
83.04975	1.1
83.06120	0.8
83.07343	1.2
83.08602	2.8
84.08142	2.3
85.01111	6.0
85.02892	1.4
85.06517	1.1
86.00648	85.7
87.02688	8.6
88.02210	4.8
89.04251	31.9
91.05482	7.8
93.05760	2.3
93.07050	3.8
94.06552	1.9
95.04967	31.1
95.06079	23.9
95.08604	8.3
96.08143	1.8
97.01127	2.2
97.02849	0.7
97.06514	1.3
98.06071	1.1
98.09669	2.5
98.98470	13.5
99.02657	2.4
99.04484	1.6
99.05579	1.2
100.02187	4.6
101.04236	43.1
101.95018	3.4
105.03389	18.5
105.04530	2.2
105.07017	3.2
107.06059	1.2
107.08603	1.6
108.08111	2.4
109.06513	2.0
109.10141	2.8
110.09677	3.2
113.01711	14.7
113.04227	6.4
114.03741	2.5
115.05710	1.2
119.08569	3.3
119.96066	1.4
121.06499	1.3
121.07597	1.2
122.09679	5.9
123.04427	22.6
123.08063	2.4
123.10497	1.0
123.11698	1.8
124.02186	2.7
125.07102	1.0
127.01574	2.3
127.05742	2.9
128.06207	1.1
129.07336	97.6
130.06863	3.6
130.07716	1.5
133.02826	1.3
137.05978	2.5
137.09595	1.9
137.97067	1.9
138.09105	1.1
139.05742	2.2
140.04636	8.3
140.05452	0.8
141.06963	5.5
142.07803	3.7
143.08553	1.8
147.11722	1.3
153.06990	11.4
154.07686	1.3
155.04892	1.2
155.07042	3.0
155.08603	15.4
155.98282	1.1
156.08414	79.1
157.08730	1.7
165.05450	2.1
165.07266	1.1
165.09050	1.4
165.12811	1.1
167.08531	3.3
168.09344	26.1
169.09624	0.9
181.10193	1.0
183.04434	1.5
183.06516	3.5
183.08148	3.0
183.09520	57.9
183.11685	29.7
184.06134	1.0
184.09761	4.2
184.11838	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	184.0454
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04776	0.1
56.05019	0.6
56.96553	0.2
58.06578	0.2
58.99836	0.2
60.00645	0.2
60.04514	0.2
68.04984	0.1
69.03430	0.1
69.07041	0.2
70.06572	0.4
71.73274	0.2
72.08147	0.2
82.06576	0.1
82.99803	0.7
83.06067	0.2
84.04483	0.3
89.48514	0.1
90.40465	0.1
95.04996	0.1
98.97552	0.1
100.02481	0.4
101.00858	11.1
101.95011	1.0
102.00938	0.6
106.03667	0.2
109.02705	0.1
109.07607	0.2
110.06044	0.1
116.05569	0.4
118.03519	1.3
119.01901	100.0
119.96062	0.7
120.01994	4.4
120.03287	0.2
121.01631	0.5
121.02309	0.2
121.07587	0.1
124.02415	1.1
125.02437	0.1
133.03386	0.6
134.02948	0.2
134.06645	0.1
135.05058	0.1
135.06064	0.1
136.04547	0.6
137.02939	46.4
137.97101	0.6
138.03029	2.2
139.03464	0.2
141.05006	0.2
142.03477	23.0
143.01866	0.4
143.03702	2.5
144.03210	0.3
148.06108	0.1
152.01309	0.1
155.98190	0.3
156.03146	0.1
156.05013	0.2
157.03481	0.2
158.06607	0.6
159.06145	0.2
160.04533	9.5
161.02922	7.1
161.04333	2.8
161.04578	2.7
162.03078	0.2
162.04170	0.6
165.05092	1.5
166.05165	0.2
166.08591	0.2
176.07700	0.2
178.03867	0.2
178.05585	0.5
179.03967	9.7
179.05490	1.2
180.04092	0.4
180.05412	0.3
183.06079	0.3
184.04520	1.6
184.06136	0.4
184.07655	0.1
184.09538	0.3
184.10905	0.2
202.05565	1.4
202.07217	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.095
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63580	0.9
52.28719	0.9
53.03936	7.0
55.01844	2.5
55.02972	1.0
55.05504	41.6
56.05010	4.1
56.96552	1.6
57.03428	1.8
57.07050	2.6
58.99578	56.7
59.06089	0.9
59.96709	1.5
61.01143	8.2
64.35280	0.9
65.03930	2.4
67.04231	2.4
67.05186	1.3
67.05499	16.4
68.05021	4.9
68.41116	0.8
69.03422	1.6
69.07064	5.8
70.06571	4.2
70.62973	1.0
71.04964	3.6
71.08614	2.6
71.75138	1.3
72.08131	4.1
74.00662	9.5
75.01416	4.0
76.02203	3.0
79.05482	9.2
80.04999	4.5
81.03406	3.3
81.04552	1.6
81.05776	1.5
81.07042	21.3
83.04950	2.3
83.06080	1.0
83.08614	4.2
84.04523	1.1
84.08115	2.3
85.01112	6.5
85.02875	1.3
85.06524	2.4
86.00640	100.0
86.06049	0.9
87.02682	4.8
87.04417	1.1
88.02203	7.0
89.04244	37.3
91.05464	9.3
93.05749	3.8
93.07017	3.8
94.04129	1.1
94.06556	2.8
95.04957	40.1
95.06066	19.7
95.08585	9.2
96.04482	1.0
96.08112	3.2
97.01080	2.8
97.06505	2.2
98.09669	3.0
98.98446	15.2
99.02654	2.5
99.04446	3.3
99.05547	1.1
99.08073	1.6
100.02187	5.5
101.04223	20.5
101.95003	3.2
105.03381	25.9
105.04508	2.8
105.07006	5.0
107.06066	1.7
107.08614	2.3
108.08098	2.5
109.06490	3.4
109.10125	3.9
110.09656	3.1
111.02636	1.0
111.04420	1.3
113.01696	16.6
113.04210	8.6
113.06039	1.0
114.03722	2.9
119.01916	1.0
119.08566	3.1
119.96021	2.8
121.06487	1.0
121.10110	1.9
122.09670	6.4
123.04408	25.4
123.08047	3.8
123.11667	2.3
124.02155	1.9
125.02328	1.7
125.05956	1.5
125.07108	1.7
127.01523	3.2
127.05733	1.9
128.06183	2.0
129.07329	44.2
130.06813	2.4
133.02821	2.4
137.05965	3.6
137.09596	3.3
137.97078	3.6
138.09142	1.5
139.05757	2.6
139.07538	1.4
140.04617	9.5
141.06920	5.6
142.07767	5.0
143.08522	2.7
145.06494	1.1
147.11623	1.4
153.06960	15.8
154.07724	1.8
155.04892	1.0
155.07007	4.8
155.08598	18.2
155.14275	3.7
155.98149	1.5
156.08403	88.8
157.08746	1.8
165.05487	1.8
165.06914	1.6
165.09105	2.1
167.08540	3.6
168.09329	32.6
181.10101	1.7
183.06500	3.6
183.08070	4.7
183.09502	40.8
183.11661	31.4
183.13429	0.9
184.09689	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	183.0501
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	3.2
55.01871	9.0
55.05498	0.7
56.96556	7.5
57.03431	33.1
58.03764	0.8
58.06588	0.9
58.99855	3.2
60.02128	1.0
60.57112	0.7
61.02921	22.7
68.98292	1.5
69.03426	34.5
70.03741	1.6
70.06575	2.4
70.99853	2.1
71.01342	2.2
71.04981	1.9
71.71394	0.9
72.93808	0.8
73.02912	55.6
74.03290	1.2
75.01906	1.4
77.00896	2.8
79.02157	1.2
81.01858	1.3
81.03413	13.1
82.99854	2.3
83.04954	1.2
84.02441	1.7
84.04465	1.1
84.08134	1.0
85.02899	40.5
86.03242	0.8
86.03681	1.2
86.99290	1.1
87.01884	3.3
87.04454	2.2
88.02673	5.5
88.52753	1.2
89.00878	1.2
90.02425	1.1
91.03925	1.4
92.02921	1.1
93.01893	5.8
93.51975	0.8
94.02688	5.4
94.52724	1.0
94.99837	0.9
95.01960	0.9
95.04948	2.4
96.02415	4.9
96.92797	2.0
97.02255	1.9
97.02884	38.6
98.03216	2.2
98.97566	3.1
98.98478	1.1
99.04452	8.2
100.02641	6.0
101.00870	24.0
101.02386	2.2
101.03446	1.9
102.00951	2.4
102.02399	14.2
102.52480	2.6
103.02392	2.3
103.03209	2.2
103.03916	1.9
104.02132	1.0
104.10703	3.1
105.00337	2.6
105.01872	1.0
105.03407	1.5
106.02637	3.8
107.03450	1.5
108.02418	5.3
109.02853	7.5
111.02917	18.8
111.53013	3.2
112.02722	1.4
113.00874	8.7
113.53269	0.8
114.02399	4.9
114.52548	0.8
115.02399	6.3
115.03177	2.7
115.03918	2.6
116.07107	0.8
116.98610	3.4
117.02119	1.1
117.02882	5.0
118.02696	0.9
118.03586	2.3
119.01908	100.0
120.01977	6.3
120.03405	1.9
121.01645	1.8
121.03190	1.8
122.53693	1.6
123.02913	9.3
123.04407	1.8
123.53004	2.4
124.02519	1.0
124.03687	1.1
125.02633	1.0
126.02362	0.9
127.02388	2.9
127.03909	11.7
128.98621	1.3
129.00311	1.1
129.02895	6.6
129.03929	2.0
129.52986	1.1
130.03691	1.7
131.01892	50.3
132.01933	4.8
132.03404	6.8
132.53610	0.9
133.01640	2.8
133.03468	7.4
134.99629	1.6
135.02928	2.5
136.03662	1.7
137.02951	28.9
137.07939	1.6
138.03421	10.6
138.09148	0.9
138.53534	1.8
139.02437	1.5
139.04166	1.4
141.02896	1.3
141.03960	2.6
142.03487	14.2
143.01886	39.3
143.54230	2.1
144.01967	4.6
144.03381	5.7
144.53528	1.4
145.01674	1.8
145.03436	21.5
145.04909	1.7
146.03583	3.0
146.82140	0.9
146.99654	1.5
147.01338	4.6
147.03941	4.9
147.04999	1.4
149.02971	8.3
149.54198	2.1
150.03082	2.3
153.03961	3.8
153.06941	1.3
154.03499	2.0
155.01875	37.9
155.08626	0.9
155.54170	1.3
156.01892	3.6
157.01590	1.0
157.02069	1.1
157.03459	17.3
158.03625	1.5
159.01395	0.8
159.05061	1.2
160.04527	8.3
161.02940	56.0
162.03128	5.2
162.04356	0.9
163.02707	2.2
163.04495	4.9
165.00612	0.8
166.08623	2.9
167.01886	8.4
168.02008	1.1
168.09302	2.5
169.03429	3.9
171.01384	1.5
171.04996	1.6
173.02951	61.5
174.03053	7.1
175.02704	3.1
175.04498	5.6
177.02412	0.8
178.05623	2.6
179.01987	1.4
179.03986	4.4
179.05350	0.8
181.03448	1.5
183.04973	1.3
183.11621	2.1
183.14871	1.9
184.04526	3.1
184.05991	1.0
185.02945	34.4
186.03101	5.7
187.02838	1.1
187.04395	3.8
191.02454	0.8
191.03990	4.1
196.04590	4.4
197.02943	6.8
197.50623	0.8
198.03181	1.1
199.04520	2.3
203.04012	18.5
203.05908	1.4
204.04169	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	182.1539
Annotation	(+)-Myrioxazine B
Peak:m/z	Relative Intensity
53.41856	0.7
55.01869	1.2
55.05506	9.0
57.03420	1.7
57.07074	3.8
58.02956	35.9
66.33654	0.6
67.05500	23.7
69.03401	0.7
69.07063	71.7
70.06569	2.6
70.07378	0.8
70.26096	1.5
70.26514	2.6
71.08636	0.8
72.08150	1.0
74.06071	1.4
75.12817	0.7
78.62939	0.7
79.05491	7.4
81.07049	23.5
83.04964	2.1
83.07373	0.7
83.08614	8.7
84.04476	0.7
84.08134	10.8
84.08948	0.6
85.06538	1.0
86.06069	1.4
91.05471	6.0
93.07042	11.5
95.04943	2.8
95.08595	8.4
96.08154	0.8
97.06527	4.9
98.06041	3.1
98.09682	2.2
98.21365	1.1
98.98437	1.6
100.07602	6.6
105.07021	16.1
107.08582	19.2
109.06509	3.3
109.10149	51.2
110.10497	1.9
112.07587	1.5
114.09160	16.3
119.08562	2.1
121.10125	2.7
123.08046	1.0
123.11694	8.7
126.09142	14.6
126.12747	1.0
131.08511	0.9
133.10118	31.0
134.10423	0.8
135.11690	19.6
136.12012	1.1
138.12762	21.5
140.10683	1.3
140.14352	1.2
147.11673	5.5
151.11153	11.1
153.12740	16.2
154.08612	4.3
154.15979	1.6
164.14323	2.6
165.12692	3.7
182.08113	1.2
182.15392	100.0
183.11649	1.5
183.15715	3.4
194.36073	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.0499
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82077	0.6
53.03938	3.0
55.01869	9.6
55.05496	1.3
56.96299	0.9
56.96561	11.1
57.03430	36.0
58.06589	1.2
58.99837	2.8
60.02127	0.9
60.08137	0.6
61.02610	1.3
61.02919	25.3
62.03272	0.6
67.05490	2.2
68.98284	0.8
69.03421	38.4
70.03751	1.4
70.06578	1.7
70.98112	0.6
70.99834	0.6
71.01336	3.1
71.04986	4.9
71.71265	0.6
71.71587	1.0
73.02908	52.2
74.03233	1.2
75.01910	1.2
75.29766	0.5
77.00900	4.9
79.05463	0.9
81.01904	3.5
81.03407	14.6
81.07044	1.9
82.02686	1.5
82.03743	0.7
82.06570	0.9
82.99819	1.6
83.01325	1.5
83.04990	1.2
84.04493	2.8
85.02896	51.6
86.02870	0.6
86.03680	1.0
86.06029	0.7
86.09695	1.2
86.99323	1.4
87.01899	4.1
87.04450	2.5
88.02672	4.9
88.52728	1.1
89.00862	0.7
90.02403	2.0
91.03951	1.5
91.05457	1.5
92.02921	1.2
92.05796	1.3
93.01890	5.9
93.03666	0.6
93.07027	1.0
93.52021	0.7
94.02666	6.4
94.52719	0.8
94.99834	1.2
95.01934	0.8
95.03458	0.8
95.04958	10.9
95.08595	1.7
96.02414	5.8
97.02876	44.0
97.06511	0.6
98.03197	2.1
98.20995	0.6
98.97555	3.0
98.98452	6.2
99.01865	1.1
99.02924	0.7
99.04446	6.3
100.02654	6.3
100.07555	0.6
100.52693	1.6
101.00866	21.4
101.01569	0.9
101.02395	2.4
101.03443	1.8
102.00968	2.1
102.02397	15.3
102.52468	2.4
103.02431	2.7
103.03193	2.9
103.03880	1.3
104.52736	1.2
105.00360	2.2
105.01889	0.8
105.03409	11.4
105.07018	0.8
106.02672	2.4
107.01632	0.7
107.03428	1.7
108.02389	3.9
109.02823	7.8
109.06541	1.1
109.10143	0.8
109.53289	0.6
110.01301	0.8
110.02100	1.2
110.05990	0.9
111.02922	19.8
111.04444	0.9
111.53002	2.1
112.02696	0.9
113.00836	7.8
113.02409	1.3
113.03456	1.1
113.53194	2.6
114.00891	0.7
114.02401	5.6
114.52483	1.2
115.02406	7.1
115.03172	2.4
115.03934	1.9
116.02120	0.8
116.98643	3.0
116.99377	0.7
117.02121	0.8
117.02906	5.6
117.03663	0.7
117.04008	0.6
117.52966	1.2
118.03546	2.1
119.01906	100.0
119.08588	1.0
119.53148	0.7
120.01935	8.2
120.03406	2.7
120.05244	1.0
120.08045	0.6
120.52624	0.7
121.01655	3.9
121.03079	2.8
122.02139	0.6
122.03942	0.6
122.53703	1.7
123.01447	0.7
123.02910	11.1
123.04404	7.1
123.08048	1.4
123.11678	0.8
123.53020	1.9
124.02631	0.9
124.03685	1.3
124.04755	1.6
124.99998	0.9
125.53145	0.9
126.02358	1.8
126.03333	1.0
126.52518	0.7
127.01530	1.6
127.02404	2.4
127.03905	9.7
128.02310	1.9
128.98671	1.0
129.02890	6.1
129.03938	2.3
129.52986	0.9
130.03688	2.5
130.52740	0.6
131.01888	50.7
132.01945	5.8
132.03423	8.8
132.53513	1.7
133.01637	1.5
133.03453	10.3
134.03532	0.6
134.53685	1.3
134.99663	1.7
135.02969	2.6
136.02609	1.1
136.03621	1.2
136.04597	1.0
137.02936	25.9
137.05933	1.5
137.07901	3.7
137.09578	1.0
138.03398	10.8
138.05486	0.9
138.09120	1.1
138.53470	2.0
139.02444	1.9
139.04216	1.1
140.04698	1.8
140.53616	0.7
141.03940	2.2
141.05530	0.7
141.06963	1.4
142.03491	15.1
142.07768	1.0
143.01883	44.4
143.08546	0.9
143.54245	1.5
144.02014	6.3
144.03305	5.7
144.53587	0.7
144.99780	1.0
145.01622	1.6
145.03421	22.4
145.05051	1.4
145.99934	1.6
146.03560	3.4
146.99611	2.3
147.01344	4.4
147.03957	5.0
147.05031	1.8
148.01508	0.7
148.04932	1.0
149.02943	14.2
149.54248	1.8
150.03137	1.9
151.02483	0.8
151.04469	1.3
153.03957	3.3
153.06929	4.8
153.54079	1.5
154.03513	2.9
155.01877	36.4
155.07100	1.4
155.08607	5.6
155.54227	0.8
156.01926	4.5
156.10213	0.7
157.01607	1.2
157.02019	1.0
157.03455	16.8
158.03589	2.2
158.54694	0.8
158.99628	1.0
159.01381	1.6
159.03159	1.0
159.05057	1.4
160.04521	9.2
160.97589	1.7
161.02942	59.3
162.03076	7.6
163.02721	2.2
163.04504	3.8
165.00714	1.4
165.05238	1.2
166.08635	2.2
167.01871	6.6
167.08519	1.3
168.02087	1.2
168.05058	0.9
168.09340	8.0
169.01617	0.8
169.03482	3.3
170.03525	0.7
171.01349	1.6
171.04990	1.9
172.04622	1.1
173.02945	63.2
174.03093	9.5
175.02760	2.5
175.04527	5.1
176.04753	0.8
177.00737	1.0
177.02454	1.8
178.02565	2.0
178.05637	2.3
178.98575	1.4
179.02289	1.2
179.04012	5.0
180.05093	0.8
181.03491	1.8
182.99573	0.7
183.01340	0.9
183.02937	1.0
183.04968	1.3
183.06458	1.5
183.08150	1.5
183.10059	1.2
183.11646	8.3
183.14977	2.2
184.04524	6.4
184.05887	1.0
184.09666	1.8
185.02942	35.2
186.03070	4.9
187.00900	0.7
187.02811	1.6
187.04530	5.2
188.04631	0.8
189.02467	1.1
191.03976	4.4
196.04648	5.7
197.02962	5.9
197.04654	1.3
198.03156	0.8
199.04507	2.5
201.00723	1.1
201.02434	1.3
201.04160	1.0
203.03979	17.6
204.04251	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	182.0813
Annotation	Tyrosine
Peak:m/z	Relative Intensity
53.03925	0.9
55.01869	0.7
55.06271	0.4
55.87635	0.4
56.47521	0.4
56.96557	4.4
57.03416	1.4
58.99809	0.3
59.05016	0.4
61.02919	0.5
61.75573	0.4
65.03931	0.5
69.03416	1.2
70.06588	0.7
70.54372	1.5
70.54739	0.5
70.98114	0.5
71.04961	0.6
73.02902	1.0
80.60463	0.5
81.03413	1.1
83.07329	0.5
84.96028	0.8
85.02900	1.7
86.09681	0.4
91.05475	31.8
92.05803	0.8
93.07030	0.7
95.04961	14.3
97.02890	2.2
98.97578	2.8
100.02480	1.3
101.00864	1.1
103.05452	1.4
103.33635	0.4
107.04951	1.5
108.08129	2.1
109.06516	1.4
115.02403	0.4
116.07102	0.7
116.98606	1.3
118.03503	0.8
118.06544	1.7
119.01913	2.4
119.04937	33.9
120.05256	1.0
121.05148	0.9
121.06508	1.1
123.04422	42.7
124.04771	1.0
128.98595	0.9
131.01852	1.9
132.03448	0.8
133.03441	1.4
136.07568	100.0
137.04559	0.4
137.06030	0.5
137.07935	2.2
142.03481	0.8
144.99821	2.0
147.03149	0.9
147.04367	15.1
149.02913	0.6
158.97273	0.5
158.99637	1.0
159.01407	0.4
159.03255	0.4
161.02974	0.7
161.04517	0.5
164.05692	11.9
164.07068	2.2
165.05467	24.5
166.05853	0.7
168.01418	1.0
170.05086	0.8
177.00726	1.4
177.02452	1.7
177.04007	0.4
182.06676	2.7
182.08150	8.3
187.00278	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	182.0812
Annotation	Tyrosine
Peak:m/z	Relative Intensity
53.03926	1.4
55.01848	0.6
55.05490	0.4
56.05026	0.5
56.96550	1.2
59.06117	0.5
60.04480	0.4
65.03925	1.0
67.05501	0.9
69.03406	0.6
69.07040	0.6
70.06564	0.7
71.46442	0.6
72.08140	0.9
74.02422	1.3
78.95255	0.6
79.05478	1.0
80.04996	0.7
81.03400	0.6
81.07040	0.6
82.06571	0.7
83.06087	0.8
83.07339	0.5
84.08173	0.4
84.96032	0.6
91.05470	37.0
92.05814	1.4
93.07054	0.7
94.06587	0.7
95.04404	0.6
95.04966	7.7
95.06076	0.5
95.08584	0.5
96.08127	0.8
97.02868	0.4
98.06049	0.7
98.97569	1.4
98.98438	0.8
103.05443	1.1
105.03383	1.8
107.04948	1.4
107.27676	0.3
108.08096	1.1
109.02895	0.4
109.06572	2.3
109.07660	0.9
110.06011	0.5
111.04433	0.6
112.07579	0.5
116.12077	0.4
116.98602	1.4
118.06535	3.7
119.01852	0.6
119.04929	37.0
120.05251	0.8
121.06481	0.4
122.05997	1.1
122.06832	0.6
123.04419	15.2
123.08035	0.4
124.07581	0.6
125.07094	0.6
126.09155	0.7
133.02763	0.5
134.99689	0.9
135.05730	0.4
136.07562	100.0
137.05988	0.5
137.07045	0.4
137.07893	2.4
139.09648	0.4
140.07155	0.5
140.08186	0.6
142.03474	0.4
142.07796	0.5
147.04396	6.1
150.05469	1.0
153.05496	1.2
153.06941	0.5
154.08624	4.0
155.08504	0.8
158.97362	0.4
158.99637	0.7
160.04594	0.4
164.04262	0.6
164.06987	2.4
165.05457	7.6
168.09355	1.4
177.00710	0.9
180.60831	0.3
181.04935	0.7
181.97906	0.4
182.00931	0.4
182.04352	0.4
182.05663	0.9
182.08089	7.8
182.11661	0.9
182.19090	0.4
183.06442	0.6
183.08063	0.6
183.11659	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1584
Annotation	(Z,Z,Z)-3,6,9-Dodecatrien-1-ol
Peak:m/z	Relative Intensity
50.59178	1.0
53.03926	4.1
54.36792	1.1
55.01865	10.3
55.05503	24.6
56.96566	8.7
57.03433	10.7
57.06830	1.3
57.07066	12.9
59.04982	1.9
65.03923	1.2
67.05497	35.2
68.05824	1.8
69.03410	9.2
69.05789	1.6
69.07059	20.7
70.03751	1.6
70.06581	2.3
71.01336	2.9
71.04981	7.2
71.08608	4.2
71.74948	1.9
71.95245	2.4
79.05479	30.5
80.05036	1.1
81.03407	9.0
81.07043	26.7
82.06578	2.9
83.04968	23.4
83.07351	12.1
83.08605	8.8
84.08102	2.1
85.06525	8.0
88.07641	1.1
91.04901	2.1
91.05458	19.2
93.07030	50.6
94.07345	1.2
95.04951	8.3
95.08593	24.7
97.06515	19.7
97.10137	3.8
98.97572	31.3
98.98234	2.1
99.08084	7.1
104.12063	1.1
105.06996	3.6
107.04938	3.4
107.08580	36.5
109.06506	3.0
109.10127	7.1
111.04424	5.0
111.08066	100.0
112.07569	3.1
112.08390	2.8
113.07930	1.4
116.98608	46.0
117.06988	3.1
119.08578	4.6
121.06480	3.2
121.08404	3.1
121.10122	22.0
123.11669	1.6
125.05973	8.2
125.09610	14.8
126.09130	15.8
134.99643	53.2
135.04375	4.8
135.08038	2.6
135.11687	11.7
136.07520	2.5
137.09619	1.5
139.03880	2.3
139.07529	1.3
139.09473	1.9
139.11174	4.0
140.00157	4.5
145.10106	4.0
153.00691	10.4
153.03322	1.1
154.08607	91.7
158.01219	12.6
163.03902	2.7
163.07469	1.4
163.09578	10.7
163.11028	8.6
163.14749	6.1
164.11388	1.3
165.06953	2.0
166.07797	2.9
176.02319	1.8
177.36995	1.0
181.02670	1.3
181.04988	8.2
181.06493	2.1
181.08501	2.1
181.10332	5.2
181.12228	10.7
181.15852	66.3
182.00960	2.2
182.08093	10.9
182.16209	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	182.0811
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.7
55.51846	0.3
56.05025	0.9
59.04257	0.4
65.03927	0.5
68.54706	0.4
69.70813	2.5
70.95854	0.5
77.03917	0.4
79.77474	0.3
91.05469	36.3
92.05802	1.1
93.07040	0.4
94.06562	0.4
95.04956	18.8
98.21046	1.4
103.05470	1.2
107.04956	1.8
109.06509	1.3
118.06521	1.1
119.04927	43.2
120.05269	1.3
121.06470	1.6
123.04412	54.8
124.04778	1.3
131.02048	0.4
136.07558	100.0
137.05945	0.8
137.07899	2.9
147.04385	19.6
148.04730	0.4
150.97125	0.4
158.97380	0.4
165.05460	27.9
165.84900	0.4
166.05782	0.6
182.08096	2.4
182.11676	0.4
199.01466	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1221
Annotation	Nortricycloekasantalic acid
Peak:m/z	Relative Intensity
55.01868	3.1
55.05502	5.6
56.96549	5.4
57.03425	2.5
57.07069	23.4
59.04988	3.3
65.79000	1.6
67.05490	2.3
69.03416	5.2
69.07045	5.0
70.56701	2.6
71.00050	1.4
71.04993	2.0
76.63105	1.4
78.85249	1.5
79.05484	13.2
81.03410	5.4
81.07047	7.2
82.29318	1.6
83.04974	50.1
90.79819	1.6
91.05469	4.4
93.07025	10.0
95.04955	19.5
97.06518	28.0
98.20832	2.1
98.21385	2.5
98.97566	18.9
105.07017	5.7
107.04922	6.5
107.08579	14.0
111.04417	3.3
116.98617	20.9
117.07018	2.4
119.08568	4.3
121.06493	5.5
121.10118	14.9
125.05983	67.6
125.06909	3.6
130.07820	1.8
134.99648	25.6
135.04425	4.1
135.08028	2.8
135.11671	9.4
136.07594	1.9
139.03934	3.5
140.00192	4.7
145.10146	10.0
153.00708	5.0
153.05444	3.5
154.08595	4.5
158.01283	8.4
163.03905	6.2
163.11168	100.0
164.07086	1.9
164.11494	2.7
176.02330	1.8
181.01381	1.8
181.04938	15.7
181.06451	2.6
181.08511	3.0
181.10522	2.4
181.12199	31.1
182.05794	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	181.1221
Annotation	Limonenecarboxylic acid
Peak:m/z	Relative Intensity
53.03951	3.3
55.01860	4.6
55.05495	8.8
56.96570	2.4
57.03430	3.6
57.07070	28.3
59.04984	3.0
59.16504	2.2
67.05489	8.4
69.03417	2.7
69.07063	9.3
71.76086	2.5
79.05481	13.3
81.03404	5.0
81.07049	11.5
83.04972	50.8
83.08597	4.1
86.58145	2.1
91.05486	4.3
93.07064	13.6
95.04955	19.0
95.08578	7.0
97.06525	34.5
98.97574	8.6
103.05488	2.1
105.06983	7.1
105.95199	1.9
107.04967	7.2
107.08605	15.0
111.04436	3.6
111.08077	4.6
116.98598	14.8
119.08585	4.8
121.06493	6.0
121.10154	14.8
121.74777	2.1
125.05984	64.6
130.07750	2.9
134.99625	18.5
135.04385	4.5
135.08109	2.4
135.11665	4.8
139.03943	4.5
145.10129	11.3
153.00713	3.9
153.05426	2.6
154.08612	6.4
158.01266	2.8
163.03932	7.4
163.11166	100.0
163.14769	3.7
164.11548	2.3
181.02649	2.8
181.04962	15.0
181.06334	4.0
181.08527	3.1
181.10005	2.2
181.10550	2.8
181.12210	34.2
181.15851	3.8
182.05762	7.0
182.08180	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1221
Annotation	Limonenecarboxylic acid
Peak:m/z	Relative Intensity
53.03939	7.7
55.01864	13.9
55.05504	33.8
56.96558	13.3
57.03441	5.8
57.07067	7.2
59.04973	2.1
65.03929	7.0
67.05138	2.3
67.05497	40.3
69.03429	10.7
69.07058	23.8
69.78288	4.3
69.78715	4.9
70.03741	2.8
70.06577	2.6
71.04985	6.2
71.95223	2.5
72.08155	5.8
73.02891	5.4
79.05486	69.5
81.03407	6.9
81.07047	41.4
82.04147	1.2
83.04506	1.8
83.04971	22.9
83.07352	6.0
83.08604	13.9
85.02901	3.2
85.06519	3.6
91.04922	2.4
91.05467	35.9
92.05769	1.6
93.03398	1.9
93.07034	100.0
94.07320	1.7
95.04394	2.4
95.04956	28.1
95.08595	78.7
96.08115	1.3
96.08928	2.6
97.02872	4.7
97.06529	16.8
97.10117	2.8
98.07030	1.3
98.97573	52.5
98.98232	2.8
99.04440	3.2
103.05450	9.7
105.04498	2.5
105.07015	19.8
106.04163	2.7
107.04944	21.2
107.08579	60.2
108.08115	1.3
108.08922	1.7
109.06482	5.5
109.10158	7.2
111.04436	7.0
111.08047	5.2
112.07561	2.6
113.07912	2.2
115.05410	2.0
116.98608	69.2
117.07002	17.0
117.07804	2.1
119.04928	2.4
119.08559	15.4
120.08055	1.8
120.08929	1.7
121.06492	30.0
121.08387	3.8
121.10134	43.3
123.04429	1.8
123.08042	2.7
125.05972	19.8
126.09141	7.3
130.07756	5.3
133.10081	4.2
134.99641	84.5
135.04373	4.6
135.08069	9.1
135.11674	63.1
136.07536	3.0
136.12039	1.7
137.05957	3.2
137.09610	2.9
138.06697	3.2
139.03889	2.0
139.07513	5.1
139.09520	3.9
139.11150	3.0
140.00171	7.6
140.08179	2.1
143.08540	2.1
145.10107	46.1
146.10474	1.9
148.05258	1.5
149.05956	10.0
153.00691	18.2
153.05389	1.9
153.07072	2.2
153.09076	2.9
153.12782	1.8
154.08612	32.7
158.01248	11.9
163.03905	4.2
163.07510	2.4
163.09509	14.8
163.11154	90.1
163.14815	5.6
164.06990	1.7
164.11539	3.0
165.06970	3.2
166.07739	4.6
176.02277	2.8
181.04910	18.0
181.06482	4.1
181.08693	10.9
181.10274	7.8
181.12204	35.8
181.13812	1.8
181.15785	3.3
181.81047	1.2
182.08067	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	181.122
Annotation	Limonenecarboxylic acid
Peak:m/z	Relative Intensity
53.03925	2.7
55.01848	2.0
55.05505	37.5
56.96568	4.2
57.03424	1.0
57.07069	13.5
58.26460	0.8
59.04991	1.1
65.03909	1.3
67.05499	11.3
69.03400	2.1
69.07055	4.6
69.55305	8.4
71.04978	2.3
71.95254	1.4
72.85577	0.9
79.05482	10.4
81.05333	0.8
81.06683	0.8
81.07050	10.8
83.04968	14.9
85.06533	5.0
91.05469	10.4
93.07031	24.5
95.04969	5.3
95.08588	19.6
97.06516	11.5
98.70379	0.8
98.97572	26.5
105.07019	9.8
107.04927	2.4
107.08578	34.4
109.06500	7.4
109.10127	4.7
111.04430	100.0
111.08076	6.5
112.04717	1.6
113.05987	3.8
116.98611	28.4
117.06973	3.3
119.08544	3.5
121.06471	4.6
121.10107	5.5
122.07217	2.1
123.08060	1.9
125.05981	46.9
126.09124	3.5
127.07552	3.3
129.06874	1.4
130.07761	4.2
134.99648	17.4
135.08044	24.3
135.11678	21.3
136.08351	1.1
136.12013	1.0
137.13258	1.1
138.06741	2.3
139.07500	3.0
140.00146	3.7
145.10106	18.1
146.10393	0.9
153.00645	1.7
153.12733	5.2
154.08611	13.8
158.01207	2.5
163.09564	2.5
163.11163	16.9
166.07744	1.1
181.04959	2.0
181.06534	1.6
181.10619	1.2
181.12201	33.3
182.08118	1.7
182.12604	1.4
200.30565	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1222
Annotation	3-tert-Butyl-5-methylcatechol
Peak:m/z	Relative Intensity
54.56410	1.2
55.05505	6.1
56.96561	5.8
57.03415	2.0
57.07058	4.1
57.11248	1.1
57.37478	0.9
58.40874	1.0
59.04989	1.2
67.05503	8.0
69.03418	2.2
69.07050	4.1
70.46330	2.0
70.46707	3.8
71.01331	1.3
71.04974	2.5
71.95250	1.9
79.05486	5.9
81.07034	3.3
83.04956	3.5
84.76169	1.0
85.06516	1.4
91.05462	9.4
93.07035	25.8
94.06644	1.0
94.59895	1.1
95.04942	5.4
95.08601	15.1
97.06524	15.3
98.97572	48.1
105.07018	4.8
107.04928	2.7
107.08584	20.0
109.06477	2.5
109.10148	2.0
111.04437	2.5
111.08093	7.7
113.33115	1.0
116.98612	40.9
117.06996	2.1
119.08554	3.8
121.06500	4.2
121.10131	3.7
123.08031	1.6
125.05979	66.4
125.09631	1.9
130.07773	1.7
134.99637	29.1
135.08035	5.7
135.11684	21.9
137.05832	1.1
138.06754	9.6
139.07597	2.1
140.00208	5.7
145.10115	9.7
148.02989	1.0
153.00691	4.4
153.12735	7.6
158.01219	5.0
163.09846	2.0
163.11143	10.9
181.04944	2.6
181.12215	100.0
182.12622	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1222
Annotation	Limonenecarboxylic acid
Peak:m/z	Relative Intensity
53.03923	2.9
53.79073	1.0
55.05508	33.9
56.96559	5.6
57.03417	1.9
57.06841	1.3
57.07073	15.0
67.05503	13.4
69.03405	3.8
69.07056	5.3
70.85540	3.9
71.04979	2.1
79.05485	12.0
81.07057	14.2
83.04977	18.1
83.07352	3.8
85.06514	4.3
91.05480	12.2
93.07041	31.2
95.04968	7.4
95.08595	23.3
97.06520	15.0
98.45214	1.2
98.97576	45.7
105.07041	10.8
107.04958	3.1
107.08588	35.8
107.61364	1.0
109.06537	8.9
109.10110	3.8
111.04433	100.0
111.08067	9.1
112.04742	1.7
113.05964	4.9
113.07920	1.7
116.98615	42.2
117.06992	5.5
119.08546	5.0
121.06465	4.9
121.10139	7.5
122.07282	1.6
123.08081	2.8
125.05984	60.0
125.09614	1.5
126.06319	1.5
126.09130	4.2
127.07524	3.4
130.07753	2.7
134.99648	28.8
135.07062	1.6
135.08051	23.7
135.11685	28.4
136.12006	1.9
137.05891	1.4
138.06717	3.9
139.07529	3.2
139.09442	1.9
140.00143	4.3
145.10112	21.4
153.00677	4.1
153.12738	7.0
154.08620	23.4
158.01210	4.2
163.03905	1.6
163.09444	3.6
163.11147	20.3
166.07816	1.1
181.04941	2.8
181.10378	3.8
181.12204	45.2
182.08058	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1221
Annotation	Limonenecarboxylic acid
Peak:m/z	Relative Intensity
50.74860	0.4
53.03915	0.8
55.01857	0.9
55.05505	2.0
56.96563	2.4
57.07060	1.3
59.04989	3.8
60.37567	0.4
67.05495	3.5
68.65711	0.5
69.03438	2.2
69.07059	3.9
70.07430	1.3
70.07825	1.0
71.04968	0.7
71.95233	0.6
73.02899	0.7
73.06523	0.5
74.11658	0.4
79.05482	6.1
81.06602	0.6
81.07044	7.8
83.04948	1.7
83.07351	0.5
83.08584	0.9
84.29233	0.4
87.04450	0.6
91.05456	4.0
93.07032	18.7
95.04943	2.0
95.08592	14.8
95.09193	0.8
96.08909	0.4
97.02862	0.9
97.06516	2.4
98.20772	0.5
98.97569	18.1
105.07021	3.8
107.04938	1.0
107.08578	35.2
108.08897	0.6
109.06505	1.0
109.10135	2.6
111.04419	2.4
111.08044	1.7
112.07633	0.5
116.98605	17.9
117.07012	1.0
119.08551	4.7
121.06501	4.4
121.10130	18.6
121.78127	0.4
122.10529	0.5
123.08038	3.2
125.05959	3.8
126.09112	0.8
130.07755	0.6
134.99638	12.7
135.08046	1.6
135.11673	42.8
136.11989	1.6
136.69963	0.5
137.09575	0.8
137.13226	1.3
139.07529	7.6
139.09605	0.5
139.11182	0.5
140.00127	0.9
140.08002	0.8
143.08490	0.6
145.10107	10.9
148.08749	0.6
153.00659	2.0
153.06979	0.5
153.12726	2.5
154.08601	3.4
158.01250	2.0
163.09587	1.4
163.11160	27.3
164.11487	1.0
166.07687	0.6
181.04924	1.0
181.12207	100.0
182.08031	0.5
182.12558	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	181.1221
Annotation	3-tert-Butyl-5-methylcatechol
Peak:m/z	Relative Intensity
53.03928	2.5
55.01854	1.6
55.05507	35.6
56.96560	6.1
57.03421	1.7
57.07071	12.1
59.04985	1.1
65.03925	1.3
67.05495	11.1
69.03422	3.4
69.07075	5.9
70.63345	2.9
71.01342	1.0
71.04980	1.9
71.95270	1.9
79.05494	11.0
81.07053	11.4
83.04975	16.4
83.08602	0.9
85.06535	5.8
91.05466	11.2
93.07036	30.5
95.04959	5.3
95.08601	21.3
97.05943	1.3
97.06525	14.8
97.99173	0.7
98.21312	0.9
98.97570	25.4
105.07021	11.2
107.04930	2.6
107.08584	39.1
108.08869	0.9
109.06519	7.5
109.10154	4.1
111.04434	100.0
111.08057	11.0
112.04760	1.2
113.06015	3.9
113.07886	0.8
116.97767	1.1
116.98608	21.6
116.99401	1.7
117.07009	4.6
119.08562	3.6
121.06488	6.4
121.09307	1.1
121.10085	5.7
122.07300	1.9
123.08029	2.6
125.05984	60.9
125.09591	1.3
127.07504	4.1
130.07825	3.9
134.99660	13.3
135.04468	0.8
135.08044	27.2
135.11676	31.5
136.08366	1.0
138.06766	5.6
139.07513	2.7
140.00182	2.3
145.10109	22.3
152.25873	0.9
153.00760	1.8
153.12756	7.7
154.08618	4.5
158.01241	2.8
163.03886	1.0
163.09506	2.3
163.11172	23.8
181.04958	1.8
181.12218	68.9
182.12560	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1222
Annotation	Limonenecarboxylic acid
Peak:m/z	Relative Intensity
52.28288	1.3
53.03930	5.6
53.84016	1.3
55.01859	5.4
55.05286	1.1
55.05513	17.1
56.07620	1.1
56.96560	18.1
57.03431	8.5
57.07058	5.0
59.68383	1.1
60.41324	1.1
65.03927	3.8
67.05502	39.3
68.05827	1.4
69.03419	5.6
69.07066	11.6
69.78886	1.4
71.01348	12.2
71.04967	5.2
71.73129	1.5
71.95260	3.2
77.03954	1.3
79.05489	47.7
80.05805	1.7
81.02956	1.3
81.03418	18.1
81.07048	31.1
82.26817	1.1
83.04974	26.5
83.07376	7.4
83.08602	5.5
85.02899	1.9
85.06551	3.0
86.06059	1.4
91.04928	1.7
91.05472	24.5
93.07039	48.6
95.04960	11.0
95.08614	13.2
97.06523	17.1
97.10149	2.8
98.97580	78.0
99.04493	1.2
99.08086	1.9
105.07014	7.2
105.77618	1.4
107.04967	6.3
107.08588	26.9
109.06480	3.9
109.10119	4.7
110.06028	1.5
111.04425	5.8
111.08086	4.7
112.07588	4.0
113.07194	1.3
113.07932	3.1
116.98615	100.0
117.03380	1.3
117.07007	7.6
119.08560	12.2
119.92555	1.2
121.06510	6.1
121.08463	2.3
121.10133	29.4
125.05968	8.5
126.09124	8.5
127.57263	1.4
130.07782	2.1
133.10088	3.3
134.99646	90.9
135.04401	3.2
135.08018	5.2
135.10052	1.7
135.11678	30.5
136.07542	1.8
136.12012	2.1
137.09615	4.2
138.12755	1.4
139.03893	1.8
139.09460	2.2
140.00204	10.3
145.10117	12.9
153.00699	17.8
153.12708	1.9
154.08620	53.4
158.01254	19.3
163.03876	3.5
163.09471	15.8
163.11171	18.2
165.07040	3.2
166.07719	3.3
176.02309	2.9
181.02655	1.3
181.04970	10.8
181.06407	2.5
181.08658	2.2
181.10387	8.1
181.12215	21.3
181.15829	1.6
182.00949	1.7
182.08063	6.7
182.15390	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0858
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.4
55.01854	3.4
55.05496	1.6
55.47937	1.1
56.96559	18.4
57.03431	81.0
65.03920	1.8
67.01630	1.0
67.05491	4.1
69.03408	3.6
69.07021	1.3
70.03763	1.4
70.06571	1.4
71.04971	1.4
71.75013	1.7
71.95255	3.3
72.04479	1.4
75.08102	1.1
79.05488	6.2
81.03381	1.8
81.07034	3.1
83.04966	3.4
84.22518	1.1
86.06052	1.1
89.19166	1.2
91.05453	5.2
93.07044	7.8
95.04939	4.1
95.08601	2.2
97.06508	2.9
98.07169	1.3
98.97570	81.6
99.05596	1.3
99.97897	1.4
103.05446	3.1
105.07004	1.2
107.04943	2.4
107.08570	3.7
109.06493	3.0
110.03623	1.3
111.04410	2.5
112.84212	1.0
113.07933	1.9
116.37979	0.9
116.98609	100.0
117.98903	1.3
121.02891	1.8
121.05672	1.4
121.06483	9.6
121.08407	2.2
121.10128	4.7
125.05972	4.3
126.09148	1.5
134.99646	97.1
135.04419	3.9
135.08052	3.5
135.11702	3.0
136.07570	2.5
137.05936	2.6
139.03876	2.6
139.09485	1.9
140.00194	7.7
140.08167	2.8
145.10199	1.8
148.29318	1.3
149.05963	4.1
152.06125	1.4
153.00717	17.1
153.05482	3.2
153.06976	1.9
154.08601	6.4
154.09697	1.3
158.01242	15.6
163.03886	3.1
163.09467	7.7
163.11095	2.6
164.07014	1.6
166.07874	1.1
176.02362	2.8
181.04932	13.0
181.06451	3.9
181.08575	18.9
181.10481	4.0
181.12219	4.0
182.00916	1.2
182.04373	1.8
182.07947	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1221
Annotation	Limonenecarboxylic acid
Peak:m/z	Relative Intensity
53.03938	7.3
55.01862	6.5
55.05505	25.1
56.96562	13.7
57.03430	17.6
57.07063	5.4
58.02952	9.3
65.03909	2.0
67.05498	74.2
69.03425	3.5
69.07066	34.0
69.42944	15.4
69.43348	3.6
70.06574	2.2
71.01342	19.2
71.04984	5.9
71.95255	2.3
79.05486	73.6
81.03414	24.0
81.07047	50.5
83.04966	43.0
83.07350	7.3
83.08604	7.6
84.08141	2.6
85.06541	5.8
86.26897	1.7
88.07584	1.7
91.05473	33.3
93.07036	73.3
94.07365	3.1
95.04978	13.3
95.08598	17.8
97.06525	18.7
97.10156	5.5
98.97574	80.0
99.08078	3.7
105.04506	2.2
105.07036	16.9
107.04916	7.5
107.08572	36.6
107.89892	1.7
109.06524	5.3
109.10140	17.2
111.04424	6.2
111.08092	4.6
112.07574	3.9
113.07920	2.4
113.58771	2.1
114.09171	2.2
116.98610	100.0
117.07011	11.3
117.98941	1.7
119.08572	16.3
119.54814	1.9
121.06508	8.9
121.08480	2.2
121.10125	33.2
123.11739	2.9
125.05990	8.0
126.09151	11.6
130.07809	2.4
133.10124	7.8
134.99640	74.3
135.04367	4.1
135.08025	8.3
135.11685	49.8
137.09605	5.8
138.12801	5.6
139.03888	2.3
139.09476	1.8
139.11232	1.8
140.00182	11.1
145.10124	20.8
151.11171	2.3
153.00700	9.9
153.05530	2.2
153.12738	3.3
154.08614	50.0
158.01201	12.0
163.03937	4.1
163.09492	11.5
163.11168	24.6
165.06967	2.4
181.04930	7.5
181.06416	2.7
181.08620	2.0
181.10451	7.3
181.12230	25.7
182.08138	7.1
182.15388	22.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	180.1129
Annotation	Unknow
Peak:m/z	Relative Intensity
56.98539	0.3
67.05495	0.8
69.04552	0.9
69.07060	50.6
70.07395	0.7
70.11985	1.2
70.12399	0.5
71.04875	0.3
75.03574	0.3
82.51579	0.3
84.31963	0.3
94.04049	0.8
95.02446	4.9
98.21220	0.5
98.97606	0.4
108.04476	0.6
112.05078	100.0
113.04738	0.4
113.05437	1.1
124.05065	24.4
126.66215	0.3
152.07289	0.3
162.09114	0.8
180.09894	0.5
180.11322	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	181.0857
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	1.4
55.05513	1.1
56.96562	5.5
57.03433	100.0
58.03765	1.1
59.06120	0.9
64.29581	0.6
65.03938	1.2
67.05502	1.6
68.05043	0.8
69.03421	1.4
69.07048	0.5
70.06593	0.5
70.94941	1.8
71.02173	0.6
71.04980	0.6
71.95250	0.9
74.14993	0.5
79.05477	4.5
80.05032	0.8
81.03410	1.0
81.07050	1.8
81.25600	0.5
83.04974	2.0
83.06084	0.6
84.08128	0.9
86.22421	0.5
91.05478	3.5
93.07030	3.4
95.04951	1.9
95.08559	0.8
97.02870	1.0
97.06541	1.7
98.97575	25.8
98.98233	1.2
99.05547	0.9
103.05445	1.1
105.07066	0.6
107.04934	2.2
107.08577	2.2
108.04483	0.6
109.06518	0.9
110.03678	0.8
111.04421	1.2
111.08005	0.7
113.07913	1.1
116.98611	30.5
119.08586	0.7
121.06503	3.6
121.07368	0.5
121.08421	1.1
121.10126	2.4
122.07131	0.7
123.04438	1.2
123.08076	0.7
125.05970	2.3
134.99649	29.1
135.04410	1.9
135.06348	0.7
135.08058	2.6
135.11691	1.6
136.07581	1.9
136.08655	0.6
137.05994	1.2
139.03889	1.0
139.09593	1.2
140.00180	2.3
140.08179	2.0
141.01878	0.6
145.10095	1.4
149.00578	1.3
149.05952	1.2
153.00697	6.0
153.05443	1.0
154.08620	1.1
154.09763	0.8
158.01219	4.0
163.03922	2.4
163.07556	0.7
163.09468	2.9
163.11151	1.7
166.07761	1.1
181.04971	6.2
181.06570	1.4
181.08589	20.8
181.10445	1.9
181.12222	1.7
182.00951	1.2
182.04460	0.8
182.08148	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	180.0865
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.4
55.01875	14.2
55.05487	1.9
56.05017	4.0
56.96558	21.7
57.03424	11.1
61.02904	7.5
61.38613	2.1
67.05479	7.1
68.05019	6.0
68.96310	2.7
68.99770	3.4
69.03423	50.8
69.07064	2.6
69.16144	1.9
70.06576	7.8
71.01315	2.1
71.04992	10.6
72.04514	11.6
72.08141	2.2
73.02898	8.9
79.05474	8.5
80.05003	7.3
81.03400	5.8
81.07039	3.4
82.06559	3.3
83.00773	2.3
83.04947	2.8
83.82840	2.1
84.04471	4.9
84.08120	4.3
84.94427	2.0
85.02897	100.0
86.06046	3.7
91.05464	4.9
92.17245	2.1
94.06537	2.6
95.01308	2.9
95.04942	4.8
95.08611	2.2
96.04459	7.5
96.05085	1.7
97.02884	29.7
98.01271	6.0
98.97565	4.1
99.04459	10.3
101.02369	7.7
101.99718	7.6
103.05485	2.0
106.06554	11.7
107.04932	2.2
108.04464	21.9
109.02862	6.3
110.06013	7.0
111.00211	23.0
111.04432	2.6
112.07596	27.7
112.47945	2.5
115.03917	3.2
116.98592	4.1
117.06991	2.6
119.01894	3.3
120.00736	8.8
120.08073	15.8
120.27151	2.1
127.03014	4.0
127.03900	56.3
131.01889	2.8
134.00522	2.5
134.05965	16.3
134.09612	7.8
135.04382	3.8
136.07539	2.4
138.05441	3.6
138.09134	15.2
140.98541	2.2
144.08066	2.8
145.03737	3.4
145.04945	22.9
146.99683	2.6
148.04733	4.3
152.07050	16.7
152.10632	3.1
156.97520	4.2
157.01660	3.1
157.03389	6.0
162.05443	3.7
162.07745	3.1
162.09120	54.0
163.04030	2.5
163.05901	2.4
165.09007	4.6
173.02942	2.4
174.98604	4.2
175.02748	4.7
175.04494	2.9
177.00662	3.5
180.03931	3.1
180.06525	15.7
180.08719	2.5
180.10144	39.7
181.01346	2.4
181.04915	4.9
181.06447	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	180.1016
Annotation	N-Acetyltyramine
Peak:m/z	Relative Intensity
55.01846	0.2
56.96549	0.8
57.25357	0.1
59.48884	0.1
61.23908	0.1
67.05492	0.5
68.04980	0.2
69.03419	2.1
69.81505	1.0
71.04988	0.9
79.05479	0.4
80.05010	0.4
81.07043	0.3
82.06577	0.3
83.04968	0.2
86.06033	0.2
91.05444	1.2
93.07037	2.3
93.31034	0.2
94.02834	0.2
94.07365	0.2
95.04946	1.0
95.08585	0.2
96.08105	0.3
98.97566	2.7
103.05453	7.5
104.05790	0.3
106.06548	0.5
107.08568	0.2
108.04460	0.6
110.06046	0.5
110.09669	0.4
112.07595	3.8
116.98623	2.4
118.06525	0.3
119.07336	0.2
120.08089	100.0
121.06488	5.1
121.08420	2.8
131.04913	1.2
134.06007	0.2
134.09644	0.6
134.99640	1.8
135.08055	0.3
138.05479	0.2
138.09129	1.8
140.00195	0.2
144.08095	0.3
152.07057	0.4
152.10670	0.4
153.00691	0.3
157.38417	0.2
162.09123	7.2
163.03972	0.2
163.07539	0.8
163.09422	0.3
165.07071	0.3
172.11128	0.2
175.02776	0.2
180.06560	0.6
180.08035	0.2
180.08359	0.2
180.10161	4.5
180.11629	0.3
181.04945	0.2
181.10573	0.2
191.28503	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.1542
Annotation	2,5-Dimethyl-3-isoamylpyrazine
Peak:m/z	Relative Intensity
54.03456	0.8
55.01630	0.5
55.01856	2.8
55.05506	4.8
56.07781	0.4
56.96552	1.4
57.07064	1.3
67.02969	1.0
67.05511	2.6
68.05009	2.5
69.03428	2.7
69.07071	3.5
70.06586	22.7
70.91859	1.5
71.04987	1.1
73.04037	0.4
79.05481	2.3
80.04988	1.1
81.05786	1.3
81.07047	2.8
82.06580	3.5
83.04990	0.5
83.07348	1.3
83.08617	1.3
84.08134	1.3
86.06026	0.8
87.77228	0.4
91.05466	4.4
93.07027	1.9
94.06580	0.7
95.04963	1.6
95.07332	0.6
95.08582	1.3
96.08125	6.3
98.98454	0.7
104.88881	0.5
105.07014	3.0
106.06541	0.7
107.08606	0.7
108.04451	0.8
108.08113	1.7
109.07630	50.9
109.08880	2.4
110.06029	0.7
110.09646	2.8
111.04421	0.5
112.07607	3.9
116.07738	0.5
117.07003	0.5
119.04939	2.9
119.08572	1.0
120.08117	2.5
123.04420	1.7
123.08068	0.8
123.10480	0.5
133.02820	0.9
133.06479	2.0
133.10118	1.4
134.06010	0.8
134.09647	1.1
135.04425	0.7
136.02097	0.6
137.05902	1.1
138.09123	2.6
146.03633	0.6
147.04390	5.1
151.03893	1.0
152.07063	0.8
152.14330	100.0
153.14645	2.7
161.05946	3.2
161.13237	1.0
162.09128	9.5
164.04088	0.6
179.03419	5.8
179.06682	2.2
179.10660	1.7
179.15424	98.3
180.06552	0.6
180.10182	4.8
180.15778	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.1541
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21634	0.5
54.03460	0.7
55.01864	3.7
55.05505	7.0
56.96553	1.0
57.07059	1.6
60.32415	0.6
64.06294	0.5
67.02978	0.8
67.05499	2.7
68.05009	2.1
69.03422	3.3
69.07069	4.9
70.06586	26.5
71.04974	1.1
71.15176	0.9
71.15515	1.0
72.86385	0.5
74.84145	0.6
79.05492	2.8
80.05006	1.1
81.03401	1.1
81.07044	3.4
82.06566	3.8
83.04964	1.0
83.07365	1.4
83.08605	1.1
84.08129	1.9
84.68774	0.6
85.02847	0.7
85.79849	0.5
89.03886	0.6
91.05470	6.7
92.05009	0.6
93.07005	1.3
94.06536	1.2
95.04939	3.1
95.07334	1.2
95.08585	1.9
96.08119	5.8
98.98453	1.7
103.05471	0.6
105.07013	3.5
106.06537	1.3
107.04938	1.2
107.08563	0.9
108.04475	2.4
108.08146	1.0
109.07632	59.5
110.06039	0.8
110.07928	0.7
110.09656	2.2
112.07603	3.9
117.07018	0.9
118.04163	0.8
118.06521	0.7
119.04921	5.5
119.08563	2.3
120.08100	2.7
121.06483	0.8
123.04436	3.0
123.08025	0.6
123.09163	0.8
133.02890	1.7
133.06471	2.4
133.10132	2.1
134.05963	1.9
134.09631	1.2
135.04372	0.9
136.05247	0.6
136.07568	0.7
137.05983	1.1
137.09554	0.7
138.09100	2.2
146.03612	1.1
147.04404	7.1
151.03831	1.0
151.07521	1.0
152.07051	1.4
152.14330	47.5
153.14696	1.0
161.05946	4.3
161.09634	1.0
161.13225	0.7
162.09149	8.4
163.07629	0.9
164.04057	1.2
179.03387	8.1
179.06935	3.3
179.10677	2.3
179.15424	100.0
180.06577	2.1
180.10173	5.2
180.15788	2.4
193.46207	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.1428
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
51.02373	1.3
53.03940	6.2
55.01865	7.9
55.05508	30.3
57.03415	3.2
57.07038	1.2
57.44730	1.1
64.31779	0.9
65.03915	3.0
67.05500	100.0
68.05814	1.2
69.03426	1.9
69.06734	1.5
69.07061	14.8
69.07838	1.1
70.70523	3.7
71.04987	3.4
73.06540	1.3
77.03932	1.0
78.15012	0.9
79.05486	66.2
81.02940	1.6
81.03406	24.7
81.07049	95.6
82.07370	1.7
83.04974	34.8
83.08607	18.4
85.06527	4.1
91.05472	56.9
93.07033	46.2
94.07362	1.2
94.36037	1.1
95.04958	14.1
95.08597	80.0
97.06520	36.5
97.10155	3.5
99.08084	2.7
105.07023	26.6
107.08594	12.1
109.06494	8.4
109.10150	12.0
111.08057	8.4
113.09628	9.1
117.06980	1.3
119.07730	2.1
119.08566	34.5
119.09413	1.7
121.10133	6.6
122.21294	0.9
122.96350	1.0
123.08036	3.9
126.00018	0.9
133.10127	21.1
135.11685	9.8
136.12053	1.1
137.09615	2.6
137.43657	1.0
151.38071	1.0
154.29419	0.9
159.11732	1.7
161.13255	17.2
162.09227	1.8
162.13539	1.4
179.03354	1.1
179.14294	49.2
180.10265	1.5
180.14627	2.2
183.64511	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.1429
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
52.10350	0.8
53.03938	1.6
54.88634	0.8
55.01867	6.3
55.05507	7.5
56.96548	2.3
57.03437	6.1
57.07052	1.5
59.38316	0.7
65.03914	2.4
67.05496	36.8
68.05836	1.4
69.03403	5.6
69.07064	10.3
71.00002	2.3
71.04981	5.7
79.05025	1.4
79.05484	28.1
80.04994	1.0
81.03385	1.4
81.07046	91.4
82.07395	1.5
83.04974	8.6
83.08608	4.5
85.06526	6.4
91.05473	33.0
92.05801	1.4
93.07031	36.1
95.04959	7.6
95.08593	70.1
96.08945	1.6
97.06514	17.2
98.20966	1.1
98.98417	0.9
99.08071	9.8
103.05476	1.5
105.07017	39.9
106.06520	1.5
107.07901	1.5
107.08582	18.1
108.04449	2.3
109.06494	5.6
109.10143	7.3
111.08097	4.5
112.07596	4.3
113.09562	1.4
115.05470	1.2
117.06989	1.7
119.04931	8.3
119.08568	54.5
120.08097	1.6
121.10131	16.6
123.04419	2.5
123.08070	9.0
123.11720	2.5
131.08508	1.4
133.02841	1.5
133.06476	3.7
133.10109	33.9
134.09610	1.4
135.11676	31.8
137.05876	1.3
137.09604	3.9
137.13243	3.3
138.09064	1.9
147.04387	11.7
148.47162	0.8
151.03902	1.1
151.07520	2.0
151.11156	2.6
152.07068	1.3
161.05966	5.1
161.13240	88.8
162.09122	9.7
162.13562	3.4
166.94035	0.8
179.03410	7.5
179.06842	3.9
179.10707	3.0
179.14287	100.0
180.06491	1.5
180.10118	4.6
180.14661	2.3
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
53.03919	2.6
53.63317	0.7
55.01863	5.9
55.05503	11.1
57.03434	5.6
57.07057	2.2
59.04975	0.8
65.03922	2.5
65.21558	0.6
67.05494	44.3
67.74495	0.8
68.05022	0.9
69.03414	7.1
69.07062	9.3
70.90892	2.2
71.04986	6.2
76.02201	3.5
79.05486	29.0
80.05004	1.4
80.05853	0.9
81.03431	1.2
81.07047	100.0
82.07386	1.9
83.04958	5.7
83.08604	4.0
85.06532	6.0
87.13534	0.8
91.05467	37.9
92.05783	1.0
93.07033	34.1
94.06541	0.9
95.04955	11.8
95.08594	67.9
96.08906	2.1
97.06521	14.8
99.08088	7.8
103.05455	2.2
103.22192	0.7
105.03373	1.2
105.07018	36.8
106.06502	1.0
106.07306	1.1
107.04922	1.7
107.08578	17.1
108.04445	1.3
108.16930	0.8
109.02846	1.1
109.06522	6.2
109.10125	10.4
110.06017	1.2
111.08051	5.4
112.07590	6.7
115.05421	0.9
117.07004	3.2
118.04140	1.0
119.04939	16.5
119.08566	44.0
120.08125	4.4
120.08829	1.1
121.06492	1.7
121.10134	11.9
122.10499	1.0
123.04401	3.4
123.08043	9.5
123.11709	2.3
128.06148	0.8
131.08521	1.4
133.02844	1.7
133.06444	4.0
133.07382	0.9
133.10109	32.7
134.06075	1.2
134.09627	1.8
135.08009	0.8
135.11679	18.8
136.05142	2.6
136.07556	0.9
136.12022	1.8
137.05937	3.3
137.08165	1.8
137.09610	5.0
137.13251	1.5
138.09157	4.8
145.42789	0.7
146.03558	1.2
147.04395	22.0
151.03891	2.3
151.07506	2.2
151.11147	2.3
152.10667	1.5
161.05959	7.6
161.09564	2.8
161.13242	58.6
162.09114	14.7
162.13542	1.6
163.07506	1.1
179.03377	10.6
179.06924	10.1
179.08812	1.6
179.09108	1.6
179.10666	5.7
179.14287	70.8
180.10199	6.4
180.14610	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.1429
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62802	0.7
53.03944	2.5
55.01863	6.5
55.05505	9.6
57.03427	7.2
57.07066	2.0
58.18496	0.6
58.99598	0.8
62.14507	0.7
65.03926	2.6
67.05497	41.7
68.04998	1.1
68.05848	0.6
69.03425	8.3
69.07061	11.5
69.53669	6.1
71.04982	7.0
73.97512	0.7
76.02225	1.8
79.05486	32.6
80.05010	1.0
81.03430	0.8
81.07048	100.0
82.07395	2.0
83.04968	7.2
83.08605	4.0
84.08106	0.7
85.06523	7.3
91.05470	39.2
93.07036	40.9
94.07350	0.8
95.04961	8.1
95.08595	73.7
96.08912	1.2
97.06522	20.6
99.08088	7.0
103.05458	1.6
105.03410	1.3
105.04489	0.8
105.07018	37.8
106.06588	1.1
106.07281	0.7
107.04951	1.2
107.08579	17.1
108.04480	2.3
108.05724	0.8
108.08112	1.0
109.02856	1.4
109.06503	7.0
109.10162	6.9
110.06011	1.4
110.07159	0.9
111.08041	5.8
112.07587	7.6
117.06993	4.0
118.04153	0.9
119.04942	13.6
119.08566	51.5
120.08094	4.7
120.08880	1.4
121.02879	0.8
121.06509	1.5
121.10138	14.4
122.10400	0.8
123.04425	3.1
123.08055	10.2
123.11697	2.0
128.06081	0.7
131.08560	1.0
133.02835	1.8
133.06471	3.8
133.10117	32.7
134.06009	1.4
134.07042	0.8
134.09624	1.7
134.10538	1.1
135.04346	0.7
135.11674	29.5
136.05165	2.5
136.08842	0.8
137.05949	2.6
137.08211	2.9
137.09569	4.6
137.13263	2.2
138.06625	1.1
138.09120	3.3
146.03653	1.0
147.04393	18.8
151.03889	2.7
151.07510	2.2
151.11169	2.2
152.06978	1.1
152.10739	1.4
159.11664	0.7
161.05969	6.3
161.09601	2.2
161.13243	71.7
162.09131	14.0
162.13588	2.0
163.07494	0.8
164.04643	1.0
179.03378	9.6
179.07135	7.4
179.09259	1.6
179.10706	5.9
179.14288	77.6
180.06459	1.4
180.10109	5.9
180.14627	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.1429
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
50.60313	1.6
53.03931	5.6
55.01862	8.8
55.05502	25.7
57.03431	19.3
57.07057	4.8
59.04976	5.3
60.96445	1.9
65.03931	3.9
67.05495	28.1
68.05002	2.6
69.03168	1.3
69.03421	14.5
69.07068	22.0
69.55703	11.2
69.56129	4.1
71.04967	7.2
72.04491	8.0
76.02198	2.8
79.05484	30.2
79.70792	1.8
80.05012	2.3
81.03396	2.1
81.07045	55.8
83.04961	9.2
83.08606	9.0
84.08138	2.2
85.06531	6.2
91.05470	53.7
93.07036	63.9
94.07354	1.8
95.04960	15.6
95.06039	3.7
95.08594	60.4
97.04036	1.9
97.06498	7.8
97.98596	2.0
98.20711	3.9
99.08076	3.6
103.05422	3.2
105.03345	2.1
105.07019	49.2
106.06542	2.2
107.04939	3.2
107.08579	61.2
108.04500	3.7
109.06503	69.7
109.10141	26.9
110.06054	2.8
111.08057	4.0
112.07603	11.7
115.05452	3.5
117.07026	2.5
119.04940	23.4
119.08572	42.0
120.05616	2.1
120.08083	6.2
121.06473	3.5
121.10130	72.2
122.10471	3.9
123.04414	5.0
123.08055	45.3
123.11715	9.1
124.08747	2.1
125.09623	28.6
131.08525	3.3
133.02853	3.9
133.06462	8.4
133.10121	48.6
134.09627	3.5
134.10513	2.6
135.04385	2.1
135.11662	24.0
136.05135	3.6
137.05972	5.5
137.08228	8.3
137.09596	8.4
137.13217	10.7
138.09123	7.8
143.08490	2.0
147.04402	30.2
151.03880	4.2
151.07509	3.9
151.11124	6.1
151.14706	2.1
152.07050	2.6
152.08162	2.6
152.10661	2.1
159.11685	2.9
161.05960	10.0
161.09566	7.1
161.13249	78.9
162.09094	25.2
162.13605	4.3
179.03369	17.9
179.06871	9.8
179.09167	3.3
179.10596	17.0
179.14279	100.0
180.07796	2.4
180.10193	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	179.1429
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
53.03932	2.9
55.01865	8.9
55.05505	10.9
57.03204	0.7
57.03431	9.0
57.07047	2.4
65.03941	1.6
67.05497	45.8
69.03422	5.1
69.07063	10.3
71.04979	7.2
71.75123	1.6
76.02196	2.4
79.05482	32.8
80.05032	1.0
81.03424	1.1
81.07047	100.0
82.07383	1.1
83.04971	7.3
83.08604	3.9
84.08135	1.0
85.06535	9.1
91.05470	44.7
92.05775	1.3
93.07034	44.9
94.07339	1.2
95.04951	7.4
95.08595	77.5
96.08914	0.9
97.06519	25.7
99.08076	8.1
103.05435	1.3
105.07017	44.2
106.07304	0.9
107.04887	1.2
107.07915	1.5
107.08581	20.7
108.04461	1.5
109.06511	7.0
109.10151	15.2
110.06020	1.2
110.07171	0.8
111.08057	5.7
112.07598	4.4
117.06996	3.0
119.04941	9.8
119.08567	61.9
120.08095	4.1
120.08844	1.2
121.06470	1.5
121.10129	17.1
122.07119	0.8
123.04424	2.5
123.08066	9.9
123.11684	5.0
131.08556	1.2
133.02870	1.4
133.06467	3.8
133.10114	35.6
134.06023	1.3
134.07085	1.1
134.09575	2.0
134.10475	1.3
135.11674	32.2
137.05925	2.5
137.08221	4.3
137.09593	6.7
137.13239	2.7
138.09094	2.7
146.03616	1.2
147.04398	10.3
148.04651	1.0
150.16200	0.8
151.03812	0.9
151.07504	1.2
151.11121	2.4
159.11600	0.8
161.05966	4.2
161.09567	2.9
161.13240	89.2
161.24455	0.8
162.09116	10.7
162.13579	2.3
164.03975	0.8
176.29100	0.8
176.67061	0.7
179.03362	5.0
179.07086	6.5
179.10800	4.9
179.14287	88.0
180.06487	1.3
180.10161	3.2
180.14655	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	179.1429
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
50.55961	1.1
53.03940	3.7
55.01858	4.3
55.05281	1.6
55.05510	23.8
57.03432	9.0
57.07062	5.7
59.89416	1.2
63.80509	1.3
64.70969	1.1
65.03947	2.3
67.05498	87.5
69.03422	9.6
69.07060	16.0
69.43639	14.0
71.04987	8.4
76.03282	1.2
79.05486	25.5
81.03407	5.3
81.07048	70.2
83.04954	5.3
83.08597	4.0
83.89437	1.5
85.06544	3.3
85.10178	3.1
91.05469	16.3
93.07034	28.0
94.07334	1.2
95.04958	21.4
95.08598	100.0
96.08902	2.0
97.06527	2.9
98.98440	1.6
103.05464	1.5
105.07024	20.2
107.04941	2.0
107.08577	18.2
109.06513	14.3
109.10146	51.6
110.06060	1.4
110.10464	1.6
111.08063	2.9
112.07574	7.0
114.96338	1.3
117.06968	3.3
119.04927	4.1
119.08574	22.3
119.20206	1.3
120.08103	3.4
121.06470	1.3
121.10127	7.3
123.08051	20.0
123.11716	1.5
133.10123	9.1
135.11702	8.1
137.05946	1.5
137.09602	19.5
137.13239	2.5
138.09152	2.4
147.04399	5.8
151.11160	1.6
151.14771	10.9
161.05974	3.7
161.13245	10.4
162.09152	11.7
179.03378	7.5
179.06512	2.0
179.14297	56.2
180.06563	1.3
180.10220	6.1
190.10925	1.3
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
50.55057	1.2
53.03934	6.8
53.94896	1.2
55.01874	11.8
55.05510	26.1
57.03418	3.3
57.85495	1.2
59.04977	2.3
65.03928	3.5
67.05502	100.0
68.05807	1.6
69.03412	5.5
69.07064	15.6
69.37746	1.2
70.07510	5.2
70.07930	2.7
71.04980	3.7
79.05489	61.8
80.05006	1.5
81.03414	22.1
81.07053	85.6
83.04973	34.5
83.08606	11.7
85.06532	3.3
91.05474	57.6
91.06049	2.9
93.07037	44.6
95.04959	16.5
95.08598	66.3
97.06522	33.9
97.07106	2.7
97.10165	2.5
99.08092	3.1
100.08509	1.3
105.07024	32.8
107.08569	12.8
108.04439	1.6
109.06533	6.2
109.10141	12.2
110.06020	1.6
111.08076	8.9
112.07627	6.8
113.09619	6.2
117.07061	1.5
119.04930	3.9
119.08573	32.5
120.08090	3.9
121.10137	6.8
123.04404	3.9
123.08046	4.0
133.02834	2.6
133.06473	4.3
133.10118	25.8
134.06024	1.8
135.11723	8.7
137.06024	1.8
137.09552	2.4
138.05479	2.9
138.09163	3.6
144.08151	1.8
147.04428	8.9
151.03931	1.6
151.11172	1.8
161.05968	8.8
161.13237	14.8
162.09126	17.1
179.03354	17.1
179.06671	3.0
179.08557	1.6
179.10580	3.2
179.14308	48.4
180.06543	3.6
180.10179	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	179.1429
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
53.03929	4.2
55.01855	5.2
55.05507	27.1
57.03431	14.2
57.07065	3.8
59.04987	3.2
62.86348	1.4
65.03922	2.3
65.09179	1.4
67.05500	68.4
69.03420	8.3
69.07064	50.9
69.98812	8.6
71.04988	9.9
71.08615	1.9
79.05487	40.2
81.03431	7.4
81.07050	68.5
83.04977	9.0
83.08598	5.1
91.04932	1.8
91.05473	23.6
93.07037	30.0
93.07578	1.3
95.04964	21.0
95.08596	100.0
96.08923	1.9
97.06516	3.2
102.88689	1.5
105.07034	24.0
107.08579	34.3
109.05836	1.8
109.06513	20.4
109.10148	48.2
111.08073	8.5
112.07587	3.3
117.06989	3.3
119.04987	2.0
119.08575	33.3
120.08092	1.8
121.10149	11.5
123.08060	37.6
123.11687	4.8
133.10115	15.6
135.11690	7.6
137.09599	23.9
137.13223	4.3
138.09109	1.5
140.13869	1.7
147.04407	3.5
149.13266	1.6
151.11127	3.6
151.14803	11.5
158.82732	1.5
161.05812	1.6
161.13254	24.3
162.09106	6.3
162.96036	1.6
179.03389	4.5
179.07217	1.5
179.08925	1.4
179.14296	59.2
180.10176	2.3
180.14691	2.9
185.68680	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.1429
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
53.03935	6.7
55.01871	11.4
55.05507	27.0
57.03422	3.6
57.07064	1.8
65.03919	3.9
67.05501	95.4
68.05815	1.1
69.03431	10.7
69.07064	18.1
71.04987	6.6
79.05487	64.6
80.05819	1.5
81.03415	20.5
81.07050	100.0
83.04973	35.8
83.08624	13.9
85.06523	3.2
86.06049	1.2
91.05476	56.4
93.07040	43.6
95.04958	17.4
95.08600	73.8
96.08121	1.0
96.08957	1.4
97.06525	30.7
97.10146	3.7
99.08058	3.1
103.05479	1.9
104.47808	1.2
105.04457	1.8
105.07024	30.1
106.06572	1.6
106.07301	1.4
107.04920	2.0
107.08591	13.3
108.04473	1.3
109.06513	11.8
109.10134	13.1
110.05994	1.9
110.09682	1.3
111.08091	7.5
112.07597	12.3
113.09612	7.3
117.06987	3.9
119.04942	7.0
119.08571	35.9
119.10938	1.2
120.08119	7.9
121.10149	7.6
123.04409	2.7
123.08047	7.0
123.11656	1.8
124.13303	1.0
131.08510	1.9
133.02853	1.6
133.06458	3.2
133.10124	23.9
134.05992	2.4
134.09639	3.1
135.04343	1.9
135.08017	1.2
135.11705	8.3
137.05957	1.5
137.09567	5.0
138.05496	1.8
138.09126	9.0
144.08066	2.0
147.04405	9.2
151.03915	1.9
151.07539	1.5
152.06993	1.5
152.10791	1.4
161.05969	3.7
161.09578	2.2
161.13261	21.7
162.09125	29.6
179.03374	14.1
179.06824	4.8
179.08560	2.4
179.10666	3.8
179.14293	59.8
180.03632	1.0
180.06541	3.1
180.07999	1.2
180.08609	1.4
180.10136	13.3
180.11403	1.3
180.14552	1.6
197.71185	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.07
Annotation	(E)-Methyl-4-hydroxycinnamate
Peak:m/z	Relative Intensity
53.03899	0.7
55.01867	5.7
55.05462	0.6
59.51232	0.4
59.54678	0.5
65.03887	2.1
67.05487	3.2
68.04991	1.0
69.03419	2.6
69.07032	0.8
69.45740	4.4
70.06550	0.7
71.04966	0.9
79.05489	5.3
80.04983	0.8
80.06222	0.7
81.03417	0.5
81.07048	3.6
83.04971	0.8
84.37534	0.4
85.02860	0.5
91.05467	35.9
92.05737	0.7
93.07032	3.2
95.04959	5.3
95.06038	2.0
95.08586	2.5
98.20718	0.9
98.98456	0.7
103.05449	2.4
105.06338	0.6
105.07018	11.1
107.04916	1.9
107.08559	1.0
108.04458	1.8
108.05698	2.4
109.06490	1.3
109.10149	0.9
110.06075	0.6
110.07111	0.7
112.07587	4.5
114.18813	0.4
115.05438	1.6
117.07028	1.0
118.04148	0.9
119.04928	67.6
119.08561	1.7
120.05329	1.4
120.08054	1.7
121.06495	2.7
121.10149	0.6
122.07182	0.6
123.04398	2.8
123.08051	3.7
131.04875	0.7
133.02827	1.1
133.06473	5.7
133.10117	3.1
134.06000	1.7
135.04384	1.1
135.11647	0.6
136.05196	3.2
137.05968	2.9
137.08223	4.6
137.09503	0.6
138.06656	0.6
138.09143	1.9
146.03654	2.0
147.04388	100.0
148.04645	2.2
149.06038	0.6
151.03931	1.2
151.07515	11.5
151.08705	0.6
151.11166	0.6
152.07028	1.1
152.08173	0.5
161.05969	8.2
161.09621	1.0
161.13281	1.2
162.05460	0.8
162.09111	6.0
163.07614	0.8
164.04700	1.6
164.53468	0.5
178.53290	1.9
179.03355	8.1
179.07071	16.8
179.08766	0.7
179.09225	1.2
179.10760	3.2
179.14169	2.3
180.06563	1.0
180.10088	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	179.1065
Annotation	4-t-Butylbenzoic acid
Peak:m/z	Relative Intensity
53.03932	2.4
55.01862	5.5
55.05495	3.5
56.05026	0.9
57.03408	1.4
57.07051	1.0
58.99570	1.8
59.04995	4.5
65.03928	1.7
65.37902	0.8
65.73365	0.8
66.43443	0.7
67.05494	8.9
68.05021	1.8
68.22806	0.7
68.99787	1.8
69.03429	6.3
69.07063	2.3
70.06577	1.0
70.50500	3.5
71.04977	1.8
76.02236	4.4
77.03901	1.1
79.05483	12.2
80.05006	0.9
81.03383	1.8
81.04539	0.9
81.07050	11.6
81.67624	0.9
83.04959	1.9
83.06081	1.2
84.08076	1.0
85.02879	0.8
87.16109	0.8
91.05469	38.8
93.07034	23.5
94.06567	1.4
94.07793	1.0
95.01315	0.8
95.04956	10.5
95.06062	2.9
95.08585	4.9
96.05618	1.0
96.95056	0.8
97.04016	1.0
103.05447	2.2
105.03374	2.3
105.07018	57.1
106.07349	1.5
107.04924	2.4
107.08584	49.1
108.04453	2.2
108.05658	1.0
108.08921	1.4
109.06509	7.6
109.10146	5.7
110.06010	1.1
110.07140	1.1
110.09628	1.0
111.04417	1.6
112.07608	4.6
115.05415	2.6
116.01696	1.1
117.07004	3.4
118.04186	1.0
118.07793	1.2
119.04935	15.6
119.08574	17.0
120.05576	1.4
120.08085	3.4
121.06493	8.0
121.10139	2.3
123.04405	6.3
123.08035	3.8
123.11716	5.3
128.06227	2.0
131.04936	1.1
131.08528	6.2
133.02798	1.1
133.06494	7.1
133.10118	100.0
134.05962	1.2
134.06989	0.9
134.09543	1.1
134.10449	3.7
135.04376	1.9
135.07999	2.0
135.11676	6.5
136.05103	1.4
136.08672	0.8
137.05978	5.7
137.08206	6.6
137.09566	6.9
138.06586	1.1
138.09106	2.8
143.08549	2.7
145.06474	1.1
146.03625	1.3
146.07228	5.8
147.04404	12.7
151.07501	2.0
151.11183	5.2
152.07063	1.3
152.08165	2.1
155.28329	0.8
161.05971	7.4
161.08269	2.2
161.09599	35.6
161.13232	2.5
162.09036	13.2
179.03409	10.3
179.06946	8.7
179.10646	98.1
179.14182	3.2
180.06528	1.1
180.10197	5.5
197.58914	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.07
Annotation	(E)-Methyl-4-hydroxycinnamate
Peak:m/z	Relative Intensity
53.03926	0.9
55.01866	20.9
65.03923	2.8
67.05495	1.1
68.05045	0.5
69.03390	0.8
70.22813	2.3
74.06033	0.5
78.11207	0.5
79.05481	2.8
79.17807	0.5
80.06277	0.6
81.03422	0.5
81.07050	0.6
90.04750	0.5
91.05466	37.4
92.05817	1.2
94.96662	0.5
95.04951	3.3
96.30849	0.5
103.05459	2.9
105.07021	14.3
107.04946	1.4
108.04453	0.7
108.05701	1.2
112.07545	1.0
115.05428	3.1
118.04130	4.5
119.04925	67.0
120.05244	1.4
120.08146	0.5
121.06494	0.8
122.03638	0.7
123.04415	2.8
123.08044	0.9
131.04924	0.7
133.05518	1.1
133.06471	14.4
133.10114	0.9
134.05943	0.6
135.04453	1.2
136.05200	7.7
137.05988	2.0
137.08179	0.9
138.09175	0.8
146.03600	9.6
147.04385	100.0
148.04733	3.1
150.06729	0.7
151.03909	0.9
151.07544	2.2
152.06993	0.5
157.19861	0.5
161.05960	31.9
162.06448	0.8
162.09109	1.9
163.03860	0.6
164.04655	1.8
175.58591	0.6
179.03447	2.8
179.07016	25.4
179.10591	1.0
180.07356	0.6
180.10191	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0701
Annotation	(E)-Methyl-4-hydroxycinnamate
Peak:m/z	Relative Intensity
51.02385	0.5
51.56559	0.5
53.03934	0.9
55.01865	10.0
61.21064	0.6
65.03926	5.0
66.04689	0.5
67.05502	1.6
68.99802	0.6
69.03413	1.6
69.07064	0.5
70.06570	0.7
70.81123	1.8
79.05488	3.7
81.07042	2.3
83.06048	0.6
91.05466	86.0
92.05813	1.7
93.07046	1.2
94.04156	0.7
95.04955	4.8
95.06055	1.2
95.08604	1.6
96.83311	0.5
103.05454	3.0
105.03382	2.2
105.07019	9.2
106.06519	1.0
107.04946	1.8
108.04519	0.8
108.05740	3.4
109.02872	2.2
109.06526	3.6
110.07216	0.7
112.07594	1.6
115.05442	1.4
117.06992	0.7
118.04128	2.6
119.04926	100.0
119.08548	1.5
120.05316	1.9
120.08094	2.1
121.06500	1.7
122.03632	1.2
123.04424	1.9
123.05513	0.6
123.08070	3.4
124.05203	7.5
124.24983	0.5
127.74817	0.6
131.04874	0.8
133.02835	1.0
133.06473	8.6
133.10133	1.8
133.43977	0.6
134.05940	0.7
135.04407	2.2
136.02200	0.6
136.05176	4.4
137.05959	15.2
137.08215	2.6
137.09384	0.5
138.05467	0.7
138.06638	0.8
138.09132	1.3
146.03612	4.6
147.04388	77.0
148.04778	2.0
150.06735	1.9
151.03931	1.2
151.06343	1.1
151.07527	15.8
151.08728	1.2
152.07047	0.7
152.08244	0.8
161.05957	15.4
161.07999	0.6
161.09564	0.8
161.13159	0.6
162.09123	4.8
164.04559	1.9
166.41606	0.5
179.03439	5.2
179.07050	17.9
179.08693	1.0
179.09331	0.7
179.10672	1.6
179.14268	0.8
180.07674	1.2
180.10135	1.3
194.92180	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.07
Annotation	(E)-Methyl-4-hydroxycinnamate
Peak:m/z	Relative Intensity
53.03928	1.2
55.01865	10.0
65.03925	4.0
67.05490	2.2
68.05015	0.7
69.03419	1.7
69.04526	0.6
71.76073	0.9
73.54076	0.5
79.05485	2.9
80.05003	0.9
80.06283	0.9
80.48483	0.5
81.03387	0.6
81.07036	1.8
91.05470	80.8
92.05796	1.7
93.07039	1.6
95.04969	4.5
95.06084	1.7
95.08602	0.8
97.06477	0.5
100.44060	0.6
103.05455	2.5
105.03367	2.6
105.07018	9.0
106.06566	0.9
107.04928	2.1
108.04459	1.6
108.05717	3.2
109.02854	1.4
109.06515	2.7
112.07590	2.3
115.05437	1.9
118.04149	2.6
119.04929	100.0
120.05240	3.4
120.08091	1.2
121.06507	0.7
123.04420	2.3
123.08025	1.9
124.05219	3.2
131.04898	0.7
133.02815	0.7
133.06471	8.3
133.10123	1.5
134.05994	1.3
135.04387	1.6
136.05220	4.7
137.05963	11.7
137.08215	2.2
138.06596	0.9
138.09122	0.9
146.03613	4.7
147.04391	79.3
148.04666	3.2
150.06718	1.1
151.03912	1.2
151.06332	1.0
151.07521	13.7
151.11191	0.6
152.07034	1.2
152.08165	1.0
161.05966	15.2
161.09612	1.0
162.05342	0.5
162.09096	3.2
162.10274	0.6
164.04692	2.1
179.03426	5.0
179.07037	18.7
179.08777	0.9
179.09229	1.3
179.10655	1.6
179.14238	0.9
180.07487	0.7
180.10178	1.5
188.07144	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.07
Annotation	(E)-Methyl-4-hydroxycinnamate
Peak:m/z	Relative Intensity
51.23000	0.6
53.03919	1.1
55.01867	19.8
55.05480	1.0
56.05009	1.2
57.07042	0.8
65.03931	3.8
67.05500	2.7
68.04996	2.3
69.03426	2.8
69.04510	0.8
69.07030	0.6
69.47868	3.1
69.48293	2.0
70.06580	0.9
71.04964	0.7
79.05479	4.6
79.43407	0.6
80.04996	1.1
80.06218	0.7
81.03399	1.1
81.04519	1.3
81.07048	4.1
83.06092	1.5
84.04482	0.6
84.08144	0.9
86.06052	0.5
89.03901	0.6
90.76205	0.5
91.05472	62.9
92.05783	1.4
93.07027	2.6
94.06539	0.6
95.04462	0.7
95.04965	6.2
95.06071	4.1
95.08588	2.1
97.02818	0.7
97.03990	1.1
97.07616	1.6
103.05463	3.3
105.03371	1.1
105.07024	16.0
106.06545	1.3
107.04924	3.6
107.06051	0.9
107.08547	1.7
108.04465	2.2
108.05724	3.7
109.06515	2.4
109.07623	0.8
109.10151	1.4
110.06023	1.5
110.07135	1.6
112.07617	3.4
115.05453	3.2
115.06131	0.6
117.06990	0.8
118.04192	3.7
118.06443	0.5
119.04931	92.0
119.08562	2.5
120.05402	2.1
120.08103	2.4
121.06487	0.8
121.07597	0.8
121.10083	1.1
122.07125	1.1
123.04409	5.3
123.05340	0.9
123.08041	2.4
124.08736	0.6
131.04927	0.9
133.02795	0.9
133.06482	16.6
133.07501	1.0
133.10107	4.5
134.05994	1.6
134.06967	1.1
135.04413	1.5
135.11772	0.8
136.05185	6.7
136.08698	0.8
137.05972	9.9
137.07071	0.8
137.07269	0.6
137.08206	5.8
137.09550	1.0
138.06596	0.9
138.09120	1.5
139.07404	0.7
141.06609	0.6
146.03601	7.9
147.04393	100.0
148.04773	2.7
149.05910	0.9
150.06715	1.2
151.03928	2.0
151.07544	7.2
151.11130	1.0
152.07088	1.1
152.08188	1.1
161.05969	26.6
161.08128	1.1
161.09618	2.0
161.13242	1.3
162.06520	1.3
162.09113	7.0
162.10371	0.8
164.04596	1.9
173.90327	0.7
179.03401	6.6
179.07045	29.7
179.09254	2.6
179.10693	4.2
179.14311	1.7
180.06503	0.9
180.10139	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0701
Annotation	(E)-Methyl-4-hydroxycinnamate
Peak:m/z	Relative Intensity
51.02362	0.4
53.03899	0.5
53.97762	0.4
55.01865	5.3
55.05472	0.6
56.05006	0.5
58.65235	0.3
65.03923	1.6
65.79570	0.3
67.05481	1.6
68.04993	0.7
69.03426	1.9
70.06557	0.5
71.04958	0.7
71.76083	0.4
72.04462	0.5
72.67733	0.3
79.05483	2.1
80.04980	0.9
81.03396	0.5
81.07050	2.2
82.06533	0.5
83.06082	0.4
84.08118	0.6
85.02917	0.5
91.05470	28.2
91.39365	0.3
92.05799	0.5
93.07016	0.8
95.04971	2.3
95.06062	1.1
95.08585	0.9
97.07677	0.3
98.98483	0.6
103.05429	0.8
105.03392	0.7
105.07016	5.0
106.06502	0.6
107.04935	0.8
107.08558	0.7
108.04449	1.4
108.05699	0.9
109.02869	0.3
109.06487	0.9
109.07594	0.5
109.10136	0.7
110.06011	0.6
110.07133	0.5
110.09599	0.4
111.04437	0.5
112.07584	2.4
114.64124	0.3
115.05425	0.8
117.07013	0.5
118.04127	1.1
119.04928	71.8
119.08569	1.1
120.05264	1.9
120.08105	1.7
121.06464	0.9
121.10145	0.4
122.03622	0.4
122.30297	0.3
123.04396	1.8
123.08054	1.1
125.00834	0.3
131.04875	0.3
133.02817	0.6
133.06477	3.8
133.10112	2.0
134.05991	1.1
134.06990	0.4
134.09651	0.8
135.04349	0.7
136.05162	1.6
137.05951	1.9
137.08235	1.8
137.09572	0.6
138.06650	0.5
138.09142	1.5
142.82936	0.3
144.08015	0.3
146.03612	2.4
147.04388	100.0
148.04729	3.0
150.91338	0.3
151.03902	1.2
151.07529	2.6
151.11211	0.5
152.07036	0.5
152.08173	0.4
161.05981	6.9
161.08267	0.4
161.09668	0.8
162.09114	5.1
162.10365	0.4
164.04648	0.4
165.05519	0.7
167.75533	0.3
179.03401	3.8
179.04973	0.5
179.07050	10.4
179.09122	0.9
179.10692	2.1
179.14323	0.9
180.06645	0.9
180.10202	2.5
188.07001	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0702
Annotation	(E)-Methyl-4-hydroxycinnamate
Peak:m/z	Relative Intensity
51.02355	0.6
53.03902	1.5
55.01864	10.9
55.05472	0.9
56.04984	1.7
56.96563	4.0
57.03413	1.2
57.07035	0.9
58.81322	0.4
59.04949	0.6
65.03933	3.3
67.05502	5.2
68.05019	2.7
68.99754	1.1
69.03417	4.6
69.04521	0.7
69.07043	0.7
69.48931	4.7
70.06551	1.5
71.04948	1.5
71.62772	0.4
72.08115	0.7
73.02890	0.9
78.04668	0.8
79.05492	6.1
80.04974	2.1
80.06247	0.6
81.03380	1.4
81.04507	1.8
81.07040	5.6
82.06538	0.7
83.01325	1.2
83.04955	1.3
83.06088	2.7
84.04470	1.2
84.08125	0.9
85.02864	1.9
86.06049	0.6
89.03904	0.7
90.04707	0.6
91.05473	43.1
92.05769	0.7
93.04501	0.6
93.07040	6.4
94.06535	0.8
95.04962	6.2
95.06070	6.0
95.08586	3.3
96.04458	0.7
96.05602	0.8
96.08133	0.9
97.02850	1.0
97.03981	1.1
97.07625	0.8
98.07110	0.6
98.21400	1.0
98.79241	0.5
98.97571	4.6
98.98475	1.3
103.05462	3.1
105.03377	1.4
105.06331	0.7
105.07024	13.6
106.06538	1.8
106.80525	0.5
107.04951	3.9
107.06072	0.9
107.08574	2.6
108.04496	4.6
108.05704	4.7
109.02855	2.2
109.06496	3.4
109.07644	0.9
109.10123	1.6
110.01264	0.5
110.06028	0.9
110.07156	2.5
111.04471	1.0
111.05534	0.8
112.05063	1.9
112.07594	5.5
115.05441	2.3
116.98624	4.4
117.03349	0.5
117.07000	1.9
117.54342	0.5
118.04150	2.3
119.04932	77.2
119.08557	4.3
120.04527	0.6
120.05459	2.3
120.08092	3.7
121.02921	0.8
121.06481	4.2
121.07259	0.6
121.07620	0.5
121.10114	0.5
122.07127	1.0
123.04431	5.4
123.05339	0.8
123.05484	0.7
123.08039	1.9
123.09179	0.5
123.11778	0.5
124.05169	2.4
124.07578	0.8
124.08616	0.9
128.02319	1.3
128.06235	0.5
128.98593	0.6
131.04944	0.7
133.02823	2.5
133.06480	10.8
133.10127	6.5
134.06001	2.5
134.07094	1.8
134.09645	1.3
134.99612	2.5
135.04431	2.0
135.08063	1.0
136.02216	0.9
136.05188	5.1
136.07571	1.0
136.08678	0.7
137.05972	12.9
137.08226	10.4
137.09575	1.6
138.06644	1.8
138.09161	3.4
138.10118	0.7
139.07436	2.1
143.08574	0.6
146.03644	3.4
146.07350	0.5
147.04398	100.0
148.04761	2.4
148.53668	0.5
150.06758	0.6
150.09196	0.5
151.03909	3.3
151.07532	13.7
151.09569	0.6
151.11229	1.6
152.07066	2.8
152.08209	2.2
152.10721	1.0
158.99724	1.2
161.05974	16.2
161.08228	1.0
161.09572	3.9
161.13223	1.1
162.06641	1.7
162.09111	10.8
162.10324	1.1
163.07538	1.1
164.04768	1.5
165.05598	1.2
174.00883	0.5
177.00726	1.3
179.03397	15.6
179.07069	25.8
179.09276	3.8
179.10747	6.3
179.12971	1.1
179.14359	1.8
180.06616	2.3
180.10136	5.8
188.07217	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0338
Annotation	NINHYDRIN
Peak:m/z	Relative Intensity
50.89493	0.2
51.02385	0.8
53.03949	1.1
55.01868	1.9
55.05502	0.6
56.05024	0.8
56.96547	0.4
57.03423	0.4
57.07063	0.4
58.06596	0.2
58.99582	0.9
65.03946	0.8
67.03004	0.3
67.05502	2.1
68.05032	0.9
68.99786	0.6
69.03434	1.9
69.04549	0.7
69.07071	0.4
70.06588	0.8
71.05006	0.7
71.72097	0.3
72.08153	0.3
75.93479	0.2
76.02222	2.9
77.03922	2.3
79.05490	3.0
80.05013	0.7
81.03422	0.7
81.04537	0.5
81.07056	2.0
82.05321	0.4
82.06579	0.5
83.04986	0.8
83.06086	1.2
84.04515	0.4
84.08131	0.6
85.02905	0.5
86.99031	0.2
89.03917	4.8
91.05473	7.2
91.06043	0.3
93.03378	0.4
93.04516	0.3
93.07054	1.5
94.06549	0.4
95.04963	4.4
95.06090	2.4
95.08586	1.5
96.05653	0.5
96.06899	0.2
96.08097	0.3
97.03998	0.4
97.06502	0.5
97.07652	0.6
98.07172	0.4
98.98451	0.2
103.05463	0.7
105.03384	8.1
105.04533	0.6
105.07026	5.7
106.06584	0.6
107.04943	2.9
107.08595	1.2
108.04486	0.8
108.05685	0.5
109.02866	0.5
109.06518	1.5
109.07660	0.3
109.10139	0.9
110.06017	0.4
110.07163	0.8
111.04418	0.4
111.05600	0.2
111.08036	0.3
112.07607	2.3
115.05418	0.5
116.01660	0.6
117.03373	3.7
117.06995	0.4
118.04182	0.3
119.04939	6.3
119.08576	1.8
120.02097	0.4
120.05571	0.7
120.08096	2.3
121.02866	0.3
121.03921	0.2
121.06503	1.1
121.10141	0.6
122.07143	0.5
123.04424	16.1
123.08048	1.0
123.11720	0.3
124.07594	0.4
131.08556	0.3
133.02846	37.6
133.06482	2.6
133.10120	3.5
134.03146	1.3
134.06029	0.6
134.07129	1.0
134.09651	0.7
135.04408	8.1
135.05455	0.4
135.08044	0.4
136.05083	0.8
136.07596	0.3
136.08763	0.6
137.06007	1.7
137.08220	4.2
137.09590	1.0
138.06641	0.6
138.09178	1.4
139.07420	0.5
145.03975	0.6
146.03607	0.8
146.07228	0.3
147.04411	9.0
150.09026	0.2
151.03905	1.8
151.07520	1.4
151.11195	0.9
152.07111	0.4
152.08183	1.2
152.10703	0.4
161.02342	2.3
161.04736	0.4
161.05978	2.6
161.08223	0.5
161.09615	2.0
161.13295	0.7
162.05435	0.3
162.06636	0.6
162.09122	4.7
162.10342	0.4
163.07576	0.4
164.04283	0.3
168.05432	0.3
169.21526	0.2
174.00629	0.3
179.03384	100.0
179.09215	2.5
179.10684	3.6
179.12955	0.5
179.14253	0.7
180.03717	2.9
180.06480	0.5
180.10146	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1636
Annotation	(3E,5Z,7Z,9E)-Trideca-3,5,7,9-tetraene
Peak:m/z	Relative Intensity
53.03940	1.2
54.07578	0.4
55.05508	10.5
57.07064	1.4
65.03928	0.9
67.05507	6.2
69.07066	26.6
69.15609	0.5
69.51758	4.7
71.66161	0.5
78.04697	1.2
79.05488	13.0
81.03419	0.7
81.07053	10.0
83.08613	14.2
83.55619	0.5
89.03925	3.0
91.05470	11.7
93.07039	29.5
94.07388	1.2
95.04971	1.9
95.08604	33.0
96.08921	0.8
97.10173	2.5
98.98461	4.3
103.05454	2.2
105.07024	9.5
106.04198	3.3
107.04977	0.8
107.08588	77.2
108.08926	1.6
109.02893	0.6
109.06507	2.0
109.10152	11.0
110.10468	0.5
117.03384	3.7
117.07024	1.4
119.06113	0.5
119.08579	3.4
121.06512	3.0
121.10139	100.0
122.10474	2.3
123.08054	1.7
123.11688	0.6
131.08537	2.7
133.07576	0.5
133.10123	2.1
134.03654	0.7
135.04425	1.6
135.08083	0.9
135.11685	21.2
136.11980	0.6
139.48141	0.5
145.02852	4.7
149.02394	0.8
149.05966	5.2
149.09605	0.9
149.13260	7.7
159.08029	1.0
159.11681	1.7
162.03110	1.0
177.05495	5.7
177.07742	0.7
177.09096	4.6
177.12941	3.6
177.16380	47.1
178.08620	1.4
178.16681	1.5
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
53.03933	4.5
55.01850	3.4
55.05505	24.4
57.07046	4.8
58.36552	1.5
65.03912	3.0
67.05498	19.0
69.03400	1.8
69.07062	36.6
69.63380	7.4
69.63809	6.9
72.08125	2.2
76.58350	1.8
78.04688	3.4
79.05030	2.2
79.05481	35.9
81.06609	2.7
81.07045	40.4
83.08613	22.7
88.02190	1.8
89.03909	10.4
91.05469	27.1
93.07033	67.5
94.07331	1.7
95.04924	6.5
95.08019	4.0
95.08597	64.5
97.06490	3.2
97.10159	7.9
98.98457	31.3
103.05463	8.8
103.68803	1.8
105.07001	13.2
106.04162	15.5
107.04914	2.8
107.08582	80.2
108.08886	2.5
109.02837	2.2
109.06457	4.0
109.10136	24.6
115.05412	3.1
117.03369	15.2
117.06985	5.9
118.06518	3.3
119.04944	2.1
119.06861	2.0
119.08521	6.7
121.02886	1.7
121.06485	13.2
121.10132	100.0
122.06007	2.0
122.10464	2.8
123.11678	2.0
129.06886	1.9
131.04874	3.4
131.08543	16.6
133.10056	7.0
134.03600	6.1
135.04379	4.9
135.08069	2.5
135.10759	2.5
135.11687	31.9
145.02805	14.9
147.11583	2.1
149.02275	7.3
149.05969	19.2
149.09598	4.1
149.13231	14.8
159.08038	4.2
159.11667	11.2
162.03075	5.0
162.06651	3.2
177.05429	23.7
177.09053	18.7
177.12785	21.6
177.14661	12.3
177.16336	81.7
178.04893	3.3
178.08546	4.7
178.16670	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	178.1225
Annotation	Valerianine
Peak:m/z	Relative Intensity
59.00564	0.3
67.05508	0.5
68.05032	0.4
70.78804	0.5
79.05488	0.5
80.05009	0.3
89.57866	0.3
91.05486	1.3
92.05020	0.6
93.05752	0.4
93.07062	0.3
94.06556	0.3
95.06088	0.4
105.07022	0.8
106.06554	0.5
107.08601	0.8
115.05417	0.5
117.07015	0.9
118.06533	7.9
118.96782	0.4
119.04895	0.5
119.07314	8.6
132.04417	0.5
132.08107	0.9
134.09642	58.2
135.09998	1.7
136.07657	0.4
137.08240	0.3
146.03194	0.4
147.04373	0.4
150.05431	0.5
151.07622	0.3
160.11182	0.7
162.09134	2.4
163.09929	1.2
178.12253	100.0
179.03369	1.2
179.12646	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	177.1636
Annotation	(3E,5Z,7Z,9E)-Trideca-3,5,7,9-tetraene
Peak:m/z	Relative Intensity
51.02389	0.6
53.03939	1.7
55.01861	0.9
55.05503	10.0
57.07065	1.4
58.99805	0.6
65.03945	1.1
67.05495	7.0
69.07062	25.0
71.00248	1.1
71.00587	1.3
78.04706	1.1
79.05485	14.5
80.05827	0.9
81.07047	14.9
82.64209	0.8
83.08611	15.0
89.03911	7.7
91.05466	11.6
93.07033	32.5
95.04955	1.9
95.08595	36.4
96.08926	0.7
97.10151	2.2
98.98457	6.0
100.66872	0.5
103.05456	3.3
105.04503	0.7
105.07014	9.1
106.04175	1.5
107.04932	1.5
107.08578	65.9
108.08901	1.9
109.02862	0.7
109.06506	1.5
109.10147	12.3
117.03366	12.2
117.07021	4.1
118.04156	0.9
119.08531	3.0
120.08109	0.7
121.06494	2.0
121.10130	100.0
122.05967	0.6
122.10483	2.2
123.08074	1.5
131.04900	2.4
131.08556	2.9
133.06535	0.8
133.10104	1.1
134.03619	2.1
135.04433	1.5
135.08076	0.8
135.11676	17.1
145.02832	10.3
146.03593	3.6
149.02280	2.4
149.05962	14.2
149.09531	1.1
149.13251	5.8
150.05423	0.8
150.06558	0.8
159.08063	1.2
159.11638	0.7
162.03120	2.6
163.03897	1.8
177.05426	11.8
177.07777	0.8
177.09088	2.3
177.11311	1.3
177.16364	52.8
178.06258	1.0
178.08621	1.6
178.16605	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1636
Annotation	(3E,5Z,7Z,9E)-Trideca-3,5,7,9-tetraene
Peak:m/z	Relative Intensity
53.03941	1.0
53.40782	0.2
55.01846	0.4
55.05506	10.0
57.07071	1.9
58.54192	0.3
59.61629	0.3
62.57516	0.2
65.03935	0.4
67.05502	4.5
69.07060	26.6
69.46422	1.7
69.46857	1.4
70.07404	0.3
71.08620	0.6
77.03938	0.5
79.05486	10.9
81.07050	9.0
81.99782	0.3
82.64748	0.3
83.08611	15.8
89.03889	0.4
91.05465	7.9
93.07034	26.1
94.07385	0.6
95.04958	1.4
95.08596	30.7
96.08921	0.6
97.10170	2.2
98.98457	1.0
103.05457	1.2
105.04501	0.4
105.07017	8.9
105.89102	0.3
106.04172	0.7
107.08581	73.8
108.08907	1.7
109.06527	1.4
109.10146	11.5
117.03395	0.5
117.06922	0.4
119.06067	0.8
119.08551	2.8
120.08072	1.1
121.10130	100.0
122.10390	1.9
123.08089	1.3
123.11685	0.5
131.04921	0.3
131.08572	0.4
133.07576	0.6
133.10110	1.1
134.03670	0.3
135.11676	19.8
145.02818	0.6
149.05995	1.4
149.13242	7.4
150.85913	0.3
159.11691	0.3
162.13887	0.4
177.05444	1.2
177.16365	48.8
178.16722	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1636
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.3
55.05502	11.2
55.99862	0.7
57.07063	2.2
67.05500	5.1
69.07061	27.3
69.72398	5.0
78.04657	0.7
79.05487	11.0
79.72545	0.8
81.07050	11.7
83.08612	17.6
88.62148	0.7
90.48985	0.7
91.05478	9.4
93.07035	31.6
95.04949	1.3
95.08595	29.4
97.10152	2.1
97.11034	0.7
98.98442	1.7
103.05479	1.5
105.07012	11.4
107.08582	71.4
108.08955	1.9
109.06530	1.8
109.10154	12.5
119.08556	2.7
121.10131	100.0
122.10468	2.1
123.08004	1.3
135.10696	0.9
135.11679	20.6
149.05975	1.0
149.13220	7.1
150.29489	0.7
177.05496	1.0
177.09081	1.2
177.16368	48.9
178.16678	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1385
Annotation	1-Benzylpiperazine
Peak:m/z	Relative Intensity
53.03938	2.7
53.06202	0.6
54.03461	1.2
55.01865	0.7
55.04229	0.7
55.05505	12.8
56.96539	1.7
57.07024	0.8
65.03921	3.1
67.02979	2.3
67.05495	6.4
68.05025	4.9
68.46331	0.6
69.04540	1.9
69.05789	2.6
69.07053	3.9
70.06585	65.3
70.17803	2.4
70.73410	0.6
71.06945	0.7
79.05482	13.3
80.05009	8.9
81.07050	48.3
82.06577	5.1
82.07353	0.9
83.07355	10.9
83.08620	1.7
84.08133	1.4
88.02201	0.8
89.03903	6.2
91.05470	21.2
93.05779	8.9
93.07037	8.0
94.06561	2.7
94.89982	3.4
95.04964	1.9
95.06063	1.6
95.07348	1.9
95.08603	5.2
96.08141	3.9
98.98455	23.5
103.05472	3.3
105.03397	0.9
105.07038	4.0
106.06519	2.0
107.04916	1.5
107.06083	0.8
107.08580	8.8
108.06866	2.9
108.08108	21.3
109.02883	2.1
109.07631	100.0
109.10152	1.9
110.07970	2.2
110.09694	1.0
117.03382	7.4
117.06985	0.8
118.06541	2.8
118.96712	1.2
119.08563	1.4
120.08103	3.0
121.02876	1.9
121.06503	2.9
121.07614	2.7
121.08833	1.1
121.10129	10.4
122.09649	2.1
123.09172	3.5
131.01854	1.4
131.04921	2.3
131.08537	3.3
132.08089	1.0
133.06470	0.8
133.07596	1.7
133.10092	1.0
134.03627	2.2
134.08397	1.6
135.04436	2.1
135.08101	1.9
135.09152	13.3
135.11720	2.3
136.07539	0.8
145.02838	10.8
148.11163	1.5
149.02328	8.3
149.05968	7.0
149.09622	1.2
149.10692	1.4
150.09100	0.7
150.12773	30.7
153.93639	4.5
159.04431	0.7
159.08057	2.0
159.11658	1.7
162.03072	1.5
163.03940	0.9
163.06213	0.8
171.94730	1.1
172.95235	1.6
175.12355	0.9
177.05443	14.8
177.08888	4.0
177.13876	69.7
177.16382	4.4
178.04994	2.7
178.08569	5.6
178.14178	2.4
184.20316	0.7
186.05551	1.2
190.96323	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1273
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	1.7
53.03933	5.8
55.01873	8.0
55.05501	8.9
56.96547	3.8
57.07033	1.5
58.01052	1.8
59.04984	1.7
65.03922	4.1
65.23015	1.6
67.05500	31.3
68.05044	1.7
69.03430	2.6
69.07067	12.7
70.06586	2.1
71.74349	1.9
72.18031	1.5
79.05485	42.1
80.05028	3.8
80.30236	1.4
81.03412	7.8
81.07047	48.2
82.60241	1.9
83.04971	5.1
83.08615	8.9
88.02210	2.6
89.03909	12.8
91.05473	56.8
93.07034	67.4
94.89990	3.5
95.04955	20.0
95.08606	19.5
97.06496	11.4
98.98457	62.2
103.05450	7.0
105.03371	2.6
105.04499	1.9
105.07014	24.2
106.04162	2.3
106.06512	1.9
107.04935	7.3
107.08578	42.3
108.04481	1.7
108.08090	1.9
109.02879	4.7
109.06509	5.8
109.10167	4.6
111.08067	3.2
115.05440	4.2
116.99503	2.2
117.03376	19.4
117.07003	35.1
118.06516	4.1
118.07265	2.0
118.96729	1.7
119.08578	7.0
121.02834	3.4
121.06489	11.6
121.09261	2.5
121.10128	43.5
129.06992	2.4
129.41606	1.7
131.04910	5.7
131.08549	44.3
132.08060	2.9
132.08923	1.9
133.06477	2.0
133.10121	42.2
134.03638	3.0
135.04414	6.0
135.08023	10.6
135.11667	16.9
136.08673	2.2
145.02817	21.8
149.02322	17.5
149.05968	17.8
149.09621	5.8
149.13206	14.4
150.09113	2.0
153.93646	4.0
159.04404	2.1
159.08061	6.7
159.11679	54.4
160.11986	1.8
162.03143	4.0
172.95274	2.1
177.05432	29.8
177.06747	1.9
177.07643	2.9
177.09122	8.7
177.12733	100.0
177.16241	15.4
178.05019	6.6
178.08554	15.6
178.13112	2.3
186.05577	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	177.1272
Annotation	11,12,13-Trinor-6,9-eremophiladien-8-one
Peak:m/z	Relative Intensity
53.00288	0.8
53.03936	6.4
55.01867	6.0
55.05507	22.2
55.87347	0.7
56.96549	2.2
57.03430	7.2
57.07067	3.1
59.84275	0.7
65.03932	3.2
65.51624	0.8
66.23583	0.8
67.05496	24.6
69.03420	8.0
69.07062	31.4
70.07543	2.2
70.07938	1.6
71.04982	6.1
77.03923	1.0
78.04705	2.2
79.05486	63.0
80.05033	1.0
80.05801	1.7
81.03394	2.4
81.07047	47.3
82.07384	1.0
83.04976	5.7
83.08616	11.2
84.08154	1.1
85.06529	1.0
88.02209	2.1
89.03902	5.1
91.05472	56.4
92.05783	1.6
93.07034	100.0
94.07383	2.6
95.04958	17.7
95.08594	24.4
96.05253	0.7
96.08908	0.8
97.06528	6.5
98.04822	0.9
98.98460	22.9
98.99085	1.7
103.05476	6.4
105.04500	2.7
105.07023	36.4
106.04153	5.3
106.07359	1.0
107.04952	11.5
107.08582	60.2
108.08111	1.0
108.08925	2.2
109.02855	2.8
109.06512	13.5
109.10162	3.7
111.08070	1.0
115.05437	6.1
116.06244	1.6
117.03371	6.5
117.07005	36.3
118.06532	1.8
119.06089	0.9
119.08569	17.8
121.02866	1.7
121.06490	24.3
121.10126	29.9
122.07274	2.2
123.08015	2.4
124.21923	0.7
126.57618	0.8
129.06989	8.0
130.07797	5.1
130.50185	0.7
131.04910	2.3
131.08553	43.8
132.08875	1.2
133.06465	3.4
133.10117	16.5
134.03596	2.4
135.04407	2.0
135.08049	15.5
135.11685	12.1
143.08501	0.7
144.09329	8.1
145.02838	7.8
147.08020	1.2
147.11655	1.5
148.08801	2.4
149.01302	1.1
149.02348	5.4
149.05978	8.5
149.09596	6.9
149.13239	16.0
153.93716	1.2
157.10086	1.5
159.08014	2.8
159.11676	43.1
160.12021	1.5
162.03127	1.8
162.06804	0.9
162.10332	1.3
163.03757	1.3
177.05435	11.3
177.06746	1.0
177.09085	6.6
177.12730	65.6
177.16249	9.1
178.04823	1.3
178.08601	6.0
178.13062	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1272
Annotation	11,12,13-Trinor-6,9-eremophiladien-8-one
Peak:m/z	Relative Intensity
53.03932	2.7
55.01865	6.1
55.05297	0.6
55.05505	5.7
56.96548	1.0
57.03422	1.6
57.07069	0.8
59.04995	0.6
63.95124	0.6
65.03909	1.6
67.05499	22.0
68.05788	0.7
69.03405	1.3
69.07056	9.5
70.48867	1.1
70.49255	1.6
71.04953	0.9
77.03960	0.7
79.05485	28.7
80.05013	0.9
81.03405	5.3
81.07048	34.5
83.04965	4.5
83.08622	5.3
88.02201	1.9
89.03900	2.7
91.05472	32.0
92.05784	1.2
93.07034	48.8
94.07345	0.9
95.04955	10.3
95.08603	11.9
97.06512	7.0
98.98456	25.7
99.08083	0.7
102.10832	0.6
103.05458	2.1
105.03412	0.8
105.07019	19.2
107.04938	5.9
107.08582	25.9
109.02872	1.4
109.06515	5.6
109.10133	2.7
111.08062	2.4
115.05427	2.0
116.99448	1.1
117.03390	3.1
117.07001	17.5
118.06510	1.1
119.04924	1.0
119.08589	6.1
121.02833	2.1
121.06484	5.2
121.10129	21.7
122.10445	0.9
123.08039	1.2
129.06976	2.6
130.07736	1.2
131.04901	1.5
131.08551	27.9
132.08928	1.3
133.06465	1.6
133.10112	25.4
133.11136	1.3
133.76961	0.6
135.04433	0.7
135.08052	9.3
135.11673	10.0
144.09317	2.5
145.02826	4.5
147.08009	0.7
149.02325	6.4
149.05968	3.1
149.09608	4.1
149.13229	11.5
157.10098	1.5
159.04402	0.8
159.08038	1.7
159.11676	32.5
177.05458	6.0
177.09145	2.6
177.12729	100.0
177.16180	7.6
178.05025	0.9
178.08597	4.9
178.13182	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	177.1272
Annotation	11,12,13-Trinor-6,9-eremophiladien-8-one
Peak:m/z	Relative Intensity
51.02374	1.1
53.03925	4.4
55.01876	5.9
55.05500	6.6
56.96547	2.3
57.03434	1.5
65.03923	2.0
67.05498	21.8
69.03404	2.1
69.07064	10.2
79.05484	33.6
80.04991	1.7
81.03394	4.6
81.07049	41.5
83.04962	4.2
83.08591	4.5
85.06527	2.2
88.02162	1.2
89.03918	12.1
91.05472	37.9
93.07037	54.4
94.90012	4.1
95.01352	1.5
95.04472	1.2
95.04967	11.6
95.08597	15.4
97.06529	9.5
97.40660	0.9
98.98455	33.9
103.05443	4.6
105.07014	21.5
106.04213	1.6
106.07388	1.1
107.04933	3.2
107.08579	30.0
109.02887	2.4
109.06491	4.4
109.10156	1.9
111.04477	1.2
111.08041	3.7
115.05451	1.6
117.03360	17.9
117.07014	21.5
118.06558	2.5
119.08594	6.8
121.02837	2.8
121.06508	6.9
121.10135	22.1
122.05988	1.0
122.09645	1.3
123.08038	1.4
129.06972	1.5
131.04903	3.9
131.08556	31.1
132.04463	1.3
133.06477	1.4
133.10117	32.2
134.03601	3.1
135.04410	2.9
135.08035	7.5
135.11676	11.7
136.06184	1.5
144.09283	1.7
145.02838	15.8
149.02322	9.0
149.05960	10.1
149.07037	1.6
149.09576	3.8
149.13252	16.3
153.93697	6.0
159.04373	2.3
159.08003	4.5
159.11687	43.5
162.03137	1.1
167.25023	1.1
171.94673	1.2
172.95157	1.6
177.05438	19.3
177.07138	1.8
177.07631	1.9
177.09044	6.5
177.12727	100.0
177.16258	9.2
178.04976	3.1
178.08546	8.5
178.13052	3.7
186.05505	2.0
190.96228	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1273
Annotation	11,12,13-Trinor-6,9-eremophiladien-8-one
Peak:m/z	Relative Intensity
53.03940	3.2
55.01867	5.8
55.05510	8.6
56.96554	1.7
57.03423	2.9
57.07067	0.9
59.04975	1.1
59.55943	0.7
63.17727	0.9
65.03925	2.5
65.04324	0.7
67.05499	29.3
68.49623	0.8
69.03418	2.0
69.07063	10.9
70.06575	1.7
71.53262	1.6
77.50533	0.9
79.05486	35.4
80.05015	0.9
80.05804	1.0
81.03416	5.9
81.07050	45.5
82.07355	1.0
83.04960	5.4
83.08609	8.1
85.06528	0.9
88.02206	1.7
89.03905	4.7
91.05473	43.6
92.05810	1.9
93.07038	69.4
94.06563	0.8
94.07352	2.0
95.04962	15.2
95.08599	15.6
97.06515	10.3
98.98461	24.4
99.08089	0.9
103.05448	3.7
105.04507	1.4
105.07025	23.5
106.04136	1.2
107.04967	7.6
107.08588	29.5
108.08139	1.1
109.02870	2.2
109.06525	4.9
109.07617	1.1
109.10159	3.8
111.08079	3.1
115.05450	2.6
116.06283	1.0
117.03380	6.7
117.07007	28.8
118.06508	3.1
118.07281	1.1
119.08574	7.4
120.08050	0.8
121.02859	2.3
121.06512	7.2
121.09248	1.6
121.10134	24.6
123.08080	1.7
129.06990	2.4
130.07796	1.0
131.01848	0.9
131.08556	30.1
133.06490	1.9
133.10124	28.5
134.03583	1.3
134.06036	1.3
134.07127	0.9
134.10442	0.8
135.04402	2.3
135.08034	10.7
135.11688	12.1
139.75575	0.8
144.09372	1.8
145.02834	7.4
145.06476	1.1
147.11624	1.1
149.02325	7.6
149.05983	6.8
149.08543	1.2
149.09587	5.0
149.13249	15.5
150.12723	2.3
157.10068	1.2
159.08047	2.4
159.11685	45.2
160.12022	1.4
162.03107	1.1
162.10437	0.8
163.06200	0.9
177.05414	8.2
177.09175	5.2
177.12733	100.0
177.16217	8.4
178.04985	2.3
178.08530	7.0
178.12215	2.5
178.13304	1.1
186.05463	1.2
186.28912	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0545
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
53.03941	2.4
55.01872	2.2
62.92778	0.6
63.02361	0.9
65.03938	2.1
67.05515	1.2
68.99791	1.7
70.11400	3.5
70.73747	0.6
71.01334	1.1
77.03922	1.1
78.04699	6.7
78.05051	0.7
79.05486	2.8
81.03443	0.8
81.07058	2.9
89.03909	45.6
90.04252	1.2
90.66034	0.6
91.05473	14.0
93.03419	1.5
93.07026	5.4
93.94114	0.6
95.04954	4.8
95.08588	1.8
98.98456	10.6
103.05457	32.2
104.05804	0.9
105.03393	1.7
105.04488	0.8
105.07005	2.6
106.04161	16.1
107.04977	1.4
107.08598	3.9
109.02886	1.6
109.06534	0.7
109.10162	0.8
114.39202	0.7
115.05453	1.7
117.03367	61.3
117.07009	4.6
118.03685	1.2
119.04919	2.7
119.08632	1.2
119.53564	0.7
120.08094	28.6
121.02879	0.9
121.06503	13.3
121.08443	1.0
121.10118	6.2
122.07082	0.9
124.05190	1.6
131.04904	10.0
131.08569	2.9
133.10115	1.0
134.03624	15.0
135.04407	8.7
135.08029	1.8
135.11649	1.6
137.05984	0.8
137.09480	1.0
145.02834	61.7
145.06465	2.8
146.03224	1.8
146.34335	0.6
147.04396	0.8
149.02357	4.8
149.05965	100.0
149.13225	0.9
150.06314	2.6
158.06020	1.5
159.04424	1.2
159.08054	0.7
159.11655	0.6
160.07472	0.7
162.03117	7.1
163.03882	4.5
163.07539	1.6
167.86853	0.6
177.05450	62.0
177.08937	5.5
177.12724	2.4
177.16365	2.4
178.05841	2.3
178.08574	1.5
186.05473	2.2
199.14870	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0068
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73140	0.5
56.96559	20.8
58.99851	1.1
62.70917	0.6
69.03422	0.9
69.07042	1.0
70.88084	1.1
71.95253	3.1
73.14716	0.6
77.00917	0.6
77.73605	0.5
79.05492	0.9
81.07009	1.3
84.08146	0.7
89.03908	1.7
91.05466	1.5
93.07008	1.2
98.97568	87.3
99.97878	0.8
100.02464	1.0
101.00836	0.8
103.02418	0.6
105.02209	0.5
107.08557	1.6
113.00871	4.4
116.98606	100.0
117.03348	2.3
117.98907	0.7
118.03505	1.4
119.01901	5.0
120.02022	0.9
121.01633	2.0
121.10122	1.3
129.03954	1.3
131.01891	38.9
131.08563	1.1
132.02036	1.3
133.03499	0.6
134.02902	1.0
134.99638	83.9
135.03174	6.3
135.99995	1.2
136.02551	2.4
137.02945	1.7
139.02660	1.1
140.00153	3.8
142.03485	1.2
145.02840	3.2
149.02968	9.7
149.05962	1.6
149.13382	0.6
152.04022	0.8
153.00681	12.9
153.04156	1.4
154.03468	15.9
154.56033	0.8
155.01886	3.2
158.01247	5.0
159.03139	0.6
159.04419	0.7
160.04565	1.0
168.25940	0.5
172.01567	2.0
172.04530	4.4
172.94148	3.1
173.01274	1.2
173.02902	8.4
173.04175	1.0
176.02277	1.2
177.00826	3.7
177.04031	3.2
177.05428	2.2
177.09071	0.8
177.11227	0.6
177.12633	1.0
177.16353	1.1
190.02571	0.8
190.95253	6.3
191.03854	0.9
195.01819	0.7
195.05035	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	176.0705
Annotation	3-Methyl-1H-indole-2-carboxylic acid
Peak:m/z	Relative Intensity
50.75002	0.2
51.02353	0.2
53.03932	0.3
55.05494	0.2
56.05014	0.2
56.53870	0.2
59.06105	0.4
60.05615	0.2
67.05467	0.2
67.45865	0.1
68.05008	0.2
69.03413	0.2
69.07042	0.3
69.97274	0.9
70.06571	0.8
71.06899	0.6
77.03931	0.2
78.04678	0.3
79.05464	0.5
80.05002	0.2
81.03394	0.6
81.07030	0.5
84.08143	0.2
87.05589	0.2
89.03910	2.7
91.05471	1.4
92.05800	0.9
93.07016	0.7
95.04932	0.5
95.08605	0.4
98.21390	0.3
98.98449	4.0
103.05454	2.8
104.04971	0.2
105.07033	0.7
106.04183	0.3
106.06664	0.2
106.07337	0.8
107.04926	0.3
107.08569	0.7
108.04485	0.3
108.08900	0.3
109.02850	0.3
116.05770	0.7
116.97183	0.6
117.03364	4.7
117.05723	0.3
117.07033	0.6
118.06548	0.2
118.07291	0.4
119.08564	0.8
120.08061	1.0
120.08897	2.0
121.02872	0.2
121.06484	0.5
121.10142	0.9
126.18694	0.2
130.06514	100.0
131.04897	0.4
131.05957	0.2
131.06853	3.7
131.08492	0.4
133.02802	0.3
133.06021	0.6
133.10106	0.4
134.03627	0.8
134.05960	0.6
134.10501	0.9
135.04343	0.4
135.07962	0.3
137.09479	0.2
145.01675	0.3
145.02837	5.3
145.06465	0.2
148.03856	0.2
148.07510	0.8
148.08493	0.5
148.11983	0.4
149.02324	0.8
149.05962	2.9
149.08382	0.2
149.09544	0.3
152.96895	0.2
158.05998	0.4
159.07953	0.3
161.05663	0.9
162.03177	0.2
171.09241	0.4
176.03407	0.2
176.06879	6.3
176.10423	0.2
176.11699	0.2
176.15347	1.2
177.05415	3.5
177.07700	0.4
177.09120	0.6
177.11337	0.3
177.12709	0.5
177.16380	0.2
186.05588	0.2
197.58633	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	176.1434
Annotation	Nigrifactin
Peak:m/z	Relative Intensity
53.03944	0.3
55.01862	0.4
55.05506	0.5
56.45591	0.2
56.96539	0.2
60.05640	0.2
65.03946	0.3
67.05498	0.9
69.07063	0.8
70.06582	0.8
70.33018	0.7
71.04973	0.3
71.06927	0.5
72.08156	0.6
78.04698	0.5
79.05491	1.4
80.05017	0.3
81.03405	0.3
81.07053	1.2
83.08617	0.2
85.77216	0.2
89.03894	1.2
91.05480	2.8
92.05827	0.3
93.07037	2.3
94.07369	0.2
95.04968	0.8
95.08621	1.1
97.06550	0.2
98.98463	5.3
103.05460	0.7
105.07006	1.3
106.04184	1.7
106.06569	0.5
106.07363	0.4
107.04965	0.4
107.08575	1.6
109.02863	0.4
109.06481	0.3
109.10141	0.3
117.03362	1.8
117.05722	0.2
117.06974	1.3
118.06537	28.0
119.04980	0.2
119.07295	0.6
119.08581	0.8
120.08107	0.7
120.08918	0.9
121.02837	0.3
121.06529	1.5
121.10143	1.7
130.06490	1.0
131.04947	0.5
131.08565	1.3
132.08084	7.7
133.06697	0.2
133.08859	3.5
133.10077	0.9
134.03639	0.7
134.06013	0.6
134.09627	1.2
134.10507	0.4
135.04385	0.4
135.08044	0.2
135.11723	0.3
144.08011	0.2
145.02855	1.8
146.09641	8.3
147.10461	1.1
148.03868	0.2
148.07535	0.4
148.11099	0.4
148.12137	0.3
149.02347	0.7
149.05994	2.1
149.09575	0.3
149.13271	0.4
158.05986	0.4
159.04436	0.3
159.08015	0.5
159.11688	1.0
160.11246	0.8
161.04637	0.3
161.05843	0.2
161.11955	0.5
162.03134	0.6
174.12784	0.2
176.06865	1.4
176.14334	100.0
177.05450	2.9
177.06786	0.3
177.09042	1.6
177.11327	0.3
177.12753	1.9
177.14671	3.8
177.16357	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.148
Annotation	Ionene
Peak:m/z	Relative Intensity
55.01860	0.7
55.05504	10.5
57.07061	1.3
57.62012	0.5
58.39844	0.5
60.05641	17.0
65.03942	0.9
67.05497	2.7
69.07063	24.5
70.00125	2.8
70.06586	45.4
71.06918	0.9
72.08152	3.1
79.05486	3.5
81.07052	6.9
83.08612	4.7
87.04437	0.7
88.07634	0.6
91.05475	17.0
91.93712	0.5
93.07033	4.9
95.04962	1.2
95.08595	6.1
97.02917	1.1
98.20716	1.0
98.98458	17.2
99.30327	0.6
103.05470	2.1
104.06198	1.0
105.07021	33.1
106.07362	0.7
107.04932	2.6
107.08583	6.6
109.10182	0.6
112.08730	1.7
115.03927	1.1
115.05451	1.5
115.08690	0.6
116.07084	11.4
117.06970	4.0
118.65179	0.6
119.04915	1.1
119.08568	100.0
120.08150	0.5
120.08858	3.1
121.10136	3.6
126.10087	0.5
127.03865	1.1
128.06250	0.7
128.51120	0.6
129.06995	2.0
130.06535	1.9
130.09753	5.3
131.08560	6.1
132.04489	0.5
132.05696	1.4
132.09308	1.4
133.06459	2.0
133.10117	83.5
134.06082	0.7
134.10413	2.7
142.07872	0.6
144.09288	0.5
145.10121	8.6
146.10913	1.4
147.04408	1.7
147.08049	7.7
147.11676	12.3
148.07475	0.6
157.10094	1.2
158.09193	2.8
158.10910	0.5
159.11703	1.1
160.05205	1.4
160.12466	4.5
173.13261	3.3
175.03949	0.6
175.07510	4.6
175.11868	5.4
175.14807	97.4
176.07037	1.3
176.15192	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	176.0404
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.5
55.05487	0.7
55.71634	0.4
56.05022	1.2
56.96560	10.3
57.93542	1.1
58.99846	1.0
59.06104	1.5
60.04506	1.2
67.05483	0.7
69.07033	0.9
70.30866	1.9
71.95248	1.5
72.04516	0.5
75.94572	1.0
77.00889	0.9
77.06123	0.6
79.05480	1.3
81.03396	1.0
81.04533	0.8
83.06071	0.8
84.08154	0.6
89.03925	0.8
91.05453	1.4
93.07032	0.9
95.01967	0.6
97.99168	0.6
98.97572	36.1
98.98452	4.8
100.02479	2.8
101.00865	2.4
101.07129	0.7
103.00653	0.7
103.02429	1.1
104.02528	1.4
105.02204	0.5
105.06969	1.1
109.02838	0.7
113.00877	1.3
115.02396	0.9
116.00204	0.6
116.01931	12.0
116.97324	8.6
116.98606	52.5
117.03327	0.9
117.06955	0.9
118.03503	7.8
119.01909	23.4
119.03650	1.3
119.08592	0.5
120.02005	4.9
120.08085	0.9
120.97846	0.7
121.01650	6.8
121.03510	0.6
122.03541	0.8
130.03448	1.1
130.06424	1.4
131.01892	12.2
131.02789	0.4
131.04927	0.7
131.08604	0.7
131.99586	2.5
132.05052	0.9
133.03435	1.7
133.04396	0.6
134.02965	100.0
134.04755	4.1
134.99644	67.5
135.03198	5.0
136.02568	0.7
136.04457	3.5
137.02956	12.7
137.03984	0.7
138.03078	3.3
138.04076	0.5
138.98923	0.6
139.02609	3.7
139.03600	1.1
139.98782	0.5
140.00130	2.5
141.03941	0.5
141.05055	0.9
142.03493	2.1
144.03230	0.8
144.05920	0.9
145.02701	1.0
145.03606	0.8
146.03490	1.2
148.04614	0.8
148.07430	0.8
148.96098	0.8
149.02992	2.1
149.05949	1.3
152.02170	1.6
152.03990	21.4
152.05705	3.7
152.96918	3.6
153.00688	14.5
153.04034	3.1
153.06534	1.2
154.03445	5.5
157.04520	6.1
157.10121	0.5
158.01233	6.6
158.02965	6.9
158.04736	1.5
159.05057	0.7
160.04543	2.1
161.04712	1.0
163.04492	0.8
170.03285	1.0
171.01379	20.7
171.02858	1.3
171.04951	5.2
171.06136	0.8
172.01427	1.3
172.04474	2.4
175.05725	0.7
175.98534	4.5
176.02278	3.1
176.04106	20.9
176.05861	9.1
176.07092	1.5
176.10626	1.5
176.14217	1.1
177.00882	3.1
177.04103	2.4
177.05446	1.3
189.02414	8.8
189.06068	1.2
194.03065	2.6
194.05066	6.4
194.06850	3.5
199.05617	2.1
199.07336	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.148
Annotation	Ionene
Peak:m/z	Relative Intensity
53.03937	1.4
53.57986	0.5
55.05506	8.8
55.56944	0.5
57.07085	0.7
60.05640	2.7
65.03924	1.0
65.28954	0.6
67.05499	6.3
69.03415	1.1
69.07059	13.7
70.06589	8.1
70.89116	1.9
77.03925	0.6
79.05493	8.2
80.27567	0.6
81.07047	40.6
82.07387	1.3
83.08619	2.9
91.05470	27.7
92.05783	0.7
93.07037	13.7
95.04964	2.1
95.08599	27.2
97.02904	0.9
98.98455	22.5
103.05457	4.4
104.04974	1.1
104.06244	3.0
105.07021	54.7
106.06526	0.7
106.07354	1.3
107.04951	2.3
107.08582	15.1
109.10166	0.6
115.05449	6.9
116.04964	1.6
116.06355	0.7
116.07081	2.5
117.07008	8.7
118.06555	0.9
119.04925	1.7
119.08569	100.0
120.08082	3.1
120.08936	3.1
121.10146	2.1
128.06245	2.5
129.06999	4.6
130.06499	2.9
130.09734	0.8
131.04945	1.5
131.08559	12.3
131.09560	0.6
132.05678	7.6
132.09340	1.6
133.10115	86.6
134.06020	0.9
134.10422	3.1
135.07968	0.9
142.05246	2.1
142.07771	0.6
143.04816	0.6
144.05681	0.9
145.06532	1.2
145.10132	4.2
146.10902	3.4
146.94934	0.8
147.04395	1.6
147.06285	0.6
147.08044	6.7
147.11670	15.6
148.07558	9.0
148.08621	1.2
148.12025	0.7
157.07637	4.0
157.55841	0.5
158.06023	1.3
158.08287	1.3
160.05185	9.9
160.06361	0.7
160.12448	2.4
161.05792	1.1
170.38860	0.6
173.13235	2.3
175.03877	1.1
175.07495	15.2
175.08705	11.3
175.14804	80.9
176.06935	1.0
176.15166	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1481
Annotation	Ionene
Peak:m/z	Relative Intensity
53.03916	0.5
55.01859	0.5
55.05507	8.2
57.07065	1.4
59.05002	0.4
60.05640	7.0
61.02927	0.4
63.18376	0.4
67.05499	3.6
69.03423	0.6
69.07061	20.6
70.06583	19.1
70.06971	1.0
70.70302	0.9
70.70695	0.8
72.08142	1.6
75.64195	0.4
79.05483	4.3
81.07043	12.1
82.07317	0.4
83.04987	0.5
83.08611	4.3
91.05469	18.9
91.06041	0.9
93.07034	5.8
95.04948	0.6
95.08596	8.3
97.02906	0.5
98.98456	17.8
103.05450	1.1
104.06236	1.6
105.07019	37.1
106.07333	1.0
107.04951	0.8
107.08575	7.3
109.06465	0.4
109.10170	0.9
111.04410	0.6
112.08702	0.6
115.05439	4.4
116.06293	0.8
116.07059	5.1
117.06998	5.1
119.04922	1.2
119.08566	100.0
120.08809	2.3
121.06486	1.2
121.10126	2.5
127.03918	0.6
128.06207	1.8
129.06992	3.1
130.06465	0.5
130.09749	2.8
131.04900	1.1
131.08537	5.6
132.05672	3.9
132.09372	0.7
133.10114	99.2
134.10406	2.8
142.07764	1.6
143.04903	0.6
143.08633	0.5
144.05740	0.4
145.06456	0.7
145.10115	6.1
146.07257	0.6
146.10857	1.7
147.04356	1.0
147.08020	3.8
147.11667	14.0
157.10123	2.1
158.09235	1.7
159.07822	0.4
159.11664	0.6
160.05194	4.6
160.08713	0.5
160.12454	3.5
173.13228	2.5
175.03856	0.9
175.06021	0.5
175.07503	10.2
175.11232	6.2
175.14804	83.5
175.18872	1.4
176.07028	0.8
176.10651	0.5
176.15192	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	175.148
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.9
55.01843	0.4
55.05505	7.2
56.29252	0.4
57.07056	1.0
60.05637	2.9
65.03909	0.6
67.05498	3.9
69.03409	0.7
69.07059	13.7
69.71453	0.4
70.06213	0.6
70.06585	8.7
70.07398	0.5
70.10536	1.2
70.10932	1.1
77.03899	0.5
79.05481	6.8
80.74106	0.4
81.07048	33.2
82.07384	0.5
83.08611	2.7
89.89542	0.4
91.05468	19.8
92.05798	0.5
93.06433	0.6
93.07036	9.5
95.04969	1.0
95.08593	20.6
97.02860	0.6
98.03748	0.4
98.06109	0.5
98.21394	0.5
98.98454	20.3
103.05445	1.9
104.06220	1.4
105.07018	48.8
106.07354	1.0
107.04939	0.9
107.08582	13.8
109.06484	0.5
109.10153	0.9
112.08707	0.6
115.05432	4.6
116.07063	2.2
116.99502	0.6
117.07005	7.6
117.07785	0.7
118.07779	0.4
119.08566	86.2
120.08837	3.2
120.56500	0.4
121.10114	1.8
128.06248	1.1
129.07011	3.1
130.06522	1.4
130.09741	1.0
131.04935	0.9
131.08546	8.8
132.05690	3.5
132.09215	0.9
132.95801	0.6
133.10112	100.0
134.01804	0.4
134.10464	2.8
143.04887	0.7
145.06445	0.9
145.10100	4.7
146.10934	3.1
147.04387	1.3
147.08028	3.4
147.11664	14.3
148.07443	0.5
148.08607	0.7
148.12001	0.7
155.05977	0.4
158.09174	0.5
159.11664	0.5
160.05173	5.1
160.12451	2.9
173.13222	1.6
175.03973	0.5
175.07512	9.7
175.11516	2.0
175.14801	77.1
176.07030	1.4
176.15208	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1189
Annotation	D-Arginine
Peak:m/z	Relative Intensity
60.05647	68.9
69.58662	10.0
70.06583	100.0
70.30766	20.0
70.31103	34.9
71.00154	11.8
73.92016	10.6
98.20782	15.4
116.07079	66.5
125.17004	10.5
130.09717	14.9
140.71585	10.6
141.17456	12.7
158.09261	21.1
175.11934	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	175.1189
Annotation	L-Arginine
Peak:m/z	Relative Intensity
51.08055	0.3
60.05641	35.0
68.05009	0.3
69.03447	0.3
69.70650	2.0
69.71046	0.4
70.06583	100.0
70.55688	0.3
71.04970	2.2
71.06919	1.0
72.08145	5.4
77.40276	0.3
84.08137	0.6
84.79727	0.3
88.07622	0.4
96.01569	0.3
97.07648	0.8
98.06044	1.0
112.08716	4.3
113.07119	0.4
114.10258	0.6
115.08672	1.1
116.07076	28.7
119.01904	0.5
130.09749	13.5
133.03438	0.5
141.06554	0.4
157.10822	1.5
158.07944	0.5
158.09225	8.0
158.10477	0.5
175.04559	0.7
175.11890	20.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.119
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39828	0.3
60.05642	38.5
62.11282	0.3
70.06585	100.0
70.33475	1.5
71.04983	1.4
71.06916	1.3
72.08148	4.9
73.76640	0.3
76.00397	0.3
78.68610	0.3
88.07590	0.5
95.08943	0.3
97.07626	0.9
98.06047	1.2
112.08719	4.1
113.07085	0.5
114.10277	0.7
115.08662	0.6
116.07079	32.7
117.07486	0.5
119.01849	0.6
130.09749	13.8
133.03445	0.4
157.10803	1.6
158.08098	0.7
158.09244	8.0
175.11890	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	175.148
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	0.7
55.01867	1.8
55.05506	7.9
57.07064	0.6
59.04992	0.6
60.05643	16.9
60.73685	0.5
64.57767	0.5
65.03928	1.0
67.05505	3.5
69.03427	1.5
69.07063	17.6
70.06585	49.3
71.04986	0.9
71.06899	0.8
71.28748	0.7
72.08144	4.7
78.04682	0.8
78.17202	0.5
79.05487	5.5
80.93385	0.6
81.03426	0.9
81.07049	11.5
83.08616	3.3
84.08183	0.5
87.04464	0.6
90.94833	0.7
91.05472	27.9
92.05804	0.7
93.07037	6.0
95.04961	1.8
95.08592	10.8
97.02895	1.4
98.98459	35.7
102.44171	0.5
103.05489	3.0
104.04723	0.5
104.06247	4.0
105.07019	36.5
106.07296	0.7
107.04967	3.1
107.08593	6.7
109.06483	0.8
111.04365	0.6
112.08735	2.4
115.03905	0.7
115.05442	8.8
115.08705	0.5
116.06286	1.1
116.07069	13.7
116.99493	1.3
117.07001	8.8
118.06570	0.6
119.04951	1.5
119.08568	100.0
120.08841	3.2
121.06477	1.5
121.10139	3.0
127.03854	0.9
128.06219	5.0
129.06995	6.9
130.06505	1.6
130.08820	0.8
130.09749	6.5
131.04913	5.7
131.08549	7.3
132.05707	13.1
132.08112	0.5
132.09283	1.0
132.95811	0.9
133.06557	2.5
133.10114	84.3
134.07001	0.6
134.10362	2.7
135.08026	0.7
135.11687	0.6
142.07750	2.8
143.04906	1.1
145.06430	2.8
145.10117	7.6
146.07208	0.7
146.10867	1.0
147.04388	1.6
147.08037	12.7
147.11661	18.1
148.07460	0.7
148.08589	0.7
148.12067	0.8
155.05960	0.8
157.07500	0.6
157.10100	3.5
158.09233	3.5
159.11664	0.7
160.05177	10.5
160.08844	1.1
160.12489	5.0
173.13237	2.8
174.99782	0.6
175.03828	1.5
175.06003	0.9
175.07526	24.0
175.11226	8.4
175.11760	7.6
175.14809	93.3
176.07045	2.0
176.15271	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	175.0752
Annotation	1,2-Dihydroxy-8-methylnaphthalene
Peak:m/z	Relative Intensity
53.03939	1.2
55.01857	1.9
60.05632	1.5
63.02356	0.5
65.03923	0.6
69.03404	2.2
69.47552	4.7
69.47962	0.8
70.06586	2.8
78.04695	4.6
79.05476	2.4
81.07051	0.7
91.05473	42.5
92.02587	0.6
92.05808	0.7
93.07034	1.1
95.04951	1.2
96.20883	0.6
98.97888	0.8
98.98456	10.0
103.05463	5.3
104.06242	30.0
105.03385	1.2
105.04542	0.7
105.07024	2.0
107.04948	9.0
115.05446	54.3
116.06225	2.2
116.06966	0.5
117.07010	26.1
118.07301	0.6
119.08572	40.0
120.08919	0.8
121.06480	0.7
127.05428	1.0
128.05492	0.5
128.06215	14.4
129.06996	17.4
130.07257	0.7
131.04921	11.8
132.05699	67.4
133.06046	1.8
133.10124	2.6
137.29454	0.5
143.04915	8.6
145.06470	8.0
146.07210	1.2
147.08037	51.2
148.08388	2.1
155.06027	1.5
157.06419	1.1
157.07599	0.9
160.05186	37.3
161.05571	1.7
175.07535	100.0
175.14836	1.9
176.07950	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.0753
Annotation	1,2-Dihydroxy-8-methylnaphthalene
Peak:m/z	Relative Intensity
53.03930	1.8
55.01858	3.2
55.05495	4.4
60.05644	16.2
65.03939	1.3
65.84388	0.8
67.05485	2.6
69.03403	3.5
69.07062	7.2
69.41248	8.5
70.06586	44.4
71.04970	1.1
72.08150	4.7
77.03925	1.1
78.04686	2.4
79.05495	7.4
81.03389	1.4
81.07048	11.3
83.04931	0.9
83.08614	1.8
87.04461	1.2
91.05473	53.7
93.07030	5.1
95.04937	1.8
95.08602	8.7
97.07614	1.1
98.21463	1.8
98.98460	27.8
103.05466	5.8
104.06242	15.1
105.03410	2.0
105.07024	28.0
106.07314	1.0
107.04947	11.1
107.08589	6.9
109.10148	1.3
111.04421	1.2
112.08695	1.5
115.03923	1.5
115.04627	1.5
115.05450	30.4
116.06281	1.4
116.07071	14.1
117.07011	24.5
119.08571	100.0
120.08877	2.0
121.06486	1.0
121.10171	1.0
127.03915	1.3
127.05434	1.0
128.06221	20.3
129.07002	20.0
129.07967	1.2
130.07402	0.9
130.09755	6.6
131.04900	7.6
131.08542	7.6
132.05702	56.5
133.10117	69.1
134.10475	2.2
142.07780	2.5
143.04948	2.2
145.06453	8.1
145.10101	4.1
146.07228	2.0
146.10890	1.6
147.04411	1.2
147.08037	47.5
147.11688	11.8
148.08441	1.3
152.35316	0.8
155.06009	1.8
157.10173	3.4
158.09242	3.0
160.03850	2.0
160.05185	39.9
161.05540	1.4
175.07533	78.8
175.11230	8.5
175.14812	49.3
175.16386	1.4
176.07941	2.0
176.15201	1.4
194.40222	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1116
Annotation	4,7-Dimethyl-1-tetralone
Peak:m/z	Relative Intensity
52.20294	0.9
53.03929	1.5
55.01842	3.4
55.05491	3.8
55.88782	0.8
55.96281	0.8
56.96310	0.8
56.96557	11.6
57.03431	100.0
60.05647	4.2
61.02909	1.6
65.03925	2.3
66.02708	0.8
67.05499	5.6
69.03404	2.5
69.07046	3.4
70.06272	1.0
70.06585	11.5
70.84562	1.8
71.04937	0.8
72.98965	0.9
79.05487	8.5
81.07046	8.8
83.04970	1.6
85.02881	1.2
90.01502	1.0
91.05473	33.3
93.07030	6.1
95.04982	1.8
95.08616	4.4
97.02862	2.7
97.06515	1.0
97.10162	1.1
98.98457	99.5
103.05444	2.1
105.03397	1.5
105.07020	25.9
107.04929	1.6
107.08596	4.2
109.06455	1.4
109.10138	1.0
111.04426	1.9
115.03940	1.7
115.05419	1.5
116.06286	1.6
116.07056	4.1
116.99504	4.1
117.06992	6.2
119.04901	2.6
119.08569	75.9
120.08079	1.1
120.08869	1.6
121.06478	3.3
127.03861	2.0
128.06169	2.9
129.06987	10.6
130.06499	1.9
130.09727	1.0
131.04869	1.0
131.08562	7.9
131.59853	0.9
133.06458	5.0
133.10114	19.9
134.04887	1.4
134.05940	0.9
139.03879	1.1
140.01024	1.6
142.07747	5.4
143.05392	2.4
145.06462	2.5
145.10016	1.9
146.07208	2.6
147.04404	4.2
147.08031	11.2
147.11670	8.2
151.93843	1.8
152.05891	2.9
156.74878	1.0
157.06364	1.2
157.10086	8.2
160.05202	1.5
160.08786	2.4
161.04732	1.3
161.06354	1.1
163.56694	1.8
175.03860	2.1
175.07487	8.3
175.11151	59.9
175.14795	16.9
176.06981	4.2
176.11551	1.0
182.93462	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.0752
Annotation	1,2-Dihydroxy-8-methylnaphthalene
Peak:m/z	Relative Intensity
53.03935	0.9
55.01866	3.8
60.05642	4.5
65.03938	1.2
69.03432	2.9
69.52496	6.0
70.06586	12.2
78.04700	4.7
79.05482	4.2
91.05473	54.5
92.05804	1.6
93.07027	2.2
95.04961	1.3
97.02866	1.2
98.98457	26.4
103.05460	7.9
104.06237	21.9
105.03390	2.4
105.07042	4.6
107.04943	14.8
108.05283	0.9
111.04365	0.8
115.05445	39.7
116.06275	1.6
116.07029	3.9
117.07012	28.2
119.04939	1.9
119.08570	53.6
120.08910	2.0
121.06506	0.9
127.05450	1.4
128.06209	22.3
129.06996	17.8
130.06517	99.3
130.09750	2.4
131.04898	8.2
131.08549	0.8
132.05701	67.8
133.06087	2.2
133.10106	3.2
134.06039	0.6
143.04933	4.6
144.05563	0.9
145.06461	10.6
146.07207	2.2
147.04416	1.3
147.08034	55.4
148.08504	1.8
155.06026	3.6
157.06412	0.8
157.07571	1.3
158.05959	0.7
160.05185	48.2
161.05566	1.4
163.07523	0.7
175.07530	100.0
175.11218	2.7
175.14801	2.8
176.07088	4.8
176.08183	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.0752
Annotation	1,2-Dihydroxy-8-methylnaphthalene
Peak:m/z	Relative Intensity
50.68741	0.7
50.94069	0.6
55.01857	2.7
60.05637	0.9
60.80573	0.7
68.69868	0.7
68.72900	0.6
69.03410	2.9
70.06582	4.3
70.94265	1.4
70.94617	0.8
78.04704	5.1
79.05480	4.4
91.05467	53.0
92.05799	1.0
93.07059	1.5
97.02850	0.9
98.98451	15.1
102.28549	0.7
103.05441	6.7
104.06236	21.8
105.03388	2.3
105.07071	4.0
107.04939	11.7
115.05440	40.7
116.07020	0.9
117.07010	30.0
118.07284	0.8
119.04945	0.9
119.08565	58.5
120.08884	1.7
123.34092	0.6
127.05369	1.2
128.06200	24.3
129.06992	18.1
130.09766	0.7
131.04907	9.4
132.05695	72.1
133.06046	1.8
133.10124	1.9
138.03064	0.6
143.04918	4.1
144.05672	0.7
145.06458	9.8
146.07204	2.0
147.08034	58.8
148.08398	1.5
155.05995	2.8
157.06409	0.8
157.07626	1.6
160.05179	55.8
161.05530	1.7
175.07523	100.0
175.14809	2.3
176.08038	3.8
187.89917	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.0752
Annotation	1,2-Dihydroxy-8-methylnaphthalene
Peak:m/z	Relative Intensity
51.02386	0.6
55.01857	2.9
55.05497	0.7
56.96577	1.1
58.43675	0.6
59.70387	0.6
60.05638	6.0
65.03931	1.1
65.41979	0.6
67.05482	0.8
68.99786	2.2
69.03423	2.6
70.06581	17.7
70.37579	1.8
70.37997	1.2
77.03934	1.0
77.24734	0.5
78.04692	4.0
78.13964	0.6
79.05480	4.8
80.86623	0.6
81.07047	0.9
83.04967	0.9
84.96112	0.6
85.02937	0.7
89.48372	0.6
91.05470	61.0
92.05797	1.8
93.07020	2.2
93.75909	0.5
95.04935	1.6
95.06066	0.6
95.08607	0.6
97.02911	1.5
98.98456	27.8
103.05451	8.7
104.06248	19.2
105.03371	2.6
105.07035	7.3
107.04941	13.1
109.06544	0.8
112.08731	0.9
115.05443	39.5
116.06211	1.9
116.07081	3.4
116.99485	0.9
117.07009	29.3
118.07352	1.0
119.04902	1.3
119.08567	66.8
119.27926	0.5
120.08131	0.6
120.08896	2.0
121.06427	0.9
125.02302	0.6
127.05389	0.6
128.06210	22.0
129.07001	19.3
130.06511	84.6
130.09734	1.6
131.04912	8.7
131.08496	1.1
132.05695	72.3
133.06081	2.6
133.10104	3.5
135.07867	1.0
142.07698	0.7
143.04913	3.8
145.06459	10.6
146.07216	1.7
147.04413	1.3
147.08029	62.2
148.08406	1.8
155.06012	2.8
157.06403	1.3
157.07610	1.0
157.10100	0.8
158.09155	0.7
160.05182	45.7
160.08879	1.2
161.05516	1.8
163.07405	0.8
165.84778	0.6
167.00061	0.8
175.07521	100.0
175.11194	5.0
175.14719	3.1
176.06961	2.9
176.07990	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.0387
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02365	1.0
53.00303	2.0
53.03938	5.4
54.62590	0.5
55.01865	0.8
55.05503	1.5
56.39575	0.5
56.96549	1.2
59.19910	0.5
60.05639	4.0
61.02911	0.7
62.08065	0.5
62.76983	0.5
67.05492	1.5
68.05034	0.5
68.99782	34.5
69.03407	1.5
69.07068	1.5
69.45078	0.6
69.61169	4.7
70.06582	10.4
72.08146	1.0
77.03912	1.3
79.05481	95.5
80.05815	2.2
81.03407	1.1
81.07053	1.8
83.04974	0.6
85.02906	0.8
87.04456	0.6
91.05470	9.1
92.90063	1.9
93.06986	0.7
95.04953	10.6
95.08605	1.7
97.02866	3.1
98.03667	1.2
98.98453	67.1
102.04700	1.4
103.05452	57.3
104.05743	0.9
105.02772	0.6
105.03393	3.2
105.04486	2.2
105.07028	6.3
107.04939	100.0
108.05273	2.0
109.06503	0.7
111.04446	0.8
115.03901	0.7
115.05429	4.3
116.07069	3.3
116.97208	0.7
116.99496	3.0
117.06983	3.3
118.04121	0.6
119.08553	9.3
121.06476	1.0
125.05943	0.8
127.03886	1.2
128.06210	1.5
129.06956	3.7
130.06517	1.8
130.09758	1.2
131.04913	14.7
131.08534	1.9
132.05708	3.9
133.06453	0.7
133.10110	7.5
133.92979	0.7
140.01044	0.8
142.07700	1.3
144.05675	0.8
145.06464	1.2
145.10136	1.0
147.04399	2.5
147.08022	4.5
147.11652	1.4
148.07498	0.6
148.08583	0.7
151.93890	3.8
157.10123	2.1
158.06082	1.0
160.05159	5.9
160.08812	0.9
169.95090	0.6
175.03882	19.9
175.07463	13.8
175.11218	4.9
175.13165	1.0
175.14763	6.2
176.04404	0.8
176.07114	1.8
176.23969	0.5
193.04970	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.0752
Annotation	1,2-Dihydroxy-8-methylnaphthalene
Peak:m/z	Relative Intensity
50.01599	0.5
53.03918	0.8
55.01862	2.8
60.05639	4.0
65.03918	1.0
67.05502	0.7
69.03429	2.9
69.07036	0.8
69.17406	0.5
70.06203	0.8
70.06579	12.8
71.76027	1.0
72.08142	0.8
77.03918	0.7
78.04694	3.4
79.05494	2.6
81.03377	0.6
81.07008	1.3
83.04961	0.7
91.05469	41.7
92.05811	1.0
93.07012	1.8
93.79799	0.5
95.04955	0.9
95.52281	0.5
97.02867	1.3
98.98456	40.9
102.30390	0.6
103.05457	5.8
104.06238	22.0
105.03397	1.2
105.07042	4.5
106.06565	0.5
107.04942	8.4
111.04393	0.5
115.05441	45.1
116.06210	2.0
116.07066	3.3
116.99467	1.5
117.07007	23.3
118.04133	0.5
118.07314	0.6
119.04918	1.7
119.08566	44.4
120.08121	0.9
120.08907	1.6
121.06454	1.1
122.69497	0.5
128.05301	1.0
128.06212	14.5
128.42480	0.5
129.06990	15.9
130.06485	1.4
130.09766	1.1
131.04903	10.0
131.08525	1.3
132.05693	56.9
133.06372	1.0
133.10091	4.9
137.53870	0.6
142.07777	1.2
143.04887	6.7
144.05666	2.2
145.06470	7.6
146.07224	1.6
147.02638	0.7
147.04367	1.6
147.08029	47.5
147.11629	1.1
148.08417	1.8
155.05975	2.1
157.06465	1.8
157.10086	1.3
158.09155	0.8
160.05177	47.4
161.05640	1.1
163.07477	0.9
175.07520	100.0
175.11113	2.0
175.14746	3.7
176.08070	3.1
191.32298	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.1323
Annotation	1,1,5-trimethyl-1,2-dihydronaphthalene
Peak:m/z	Relative Intensity
53.03963	0.9
55.01871	0.9
55.05507	14.2
57.07065	2.2
59.05002	3.3
67.05505	4.0
68.05038	0.8
69.03435	0.9
69.07066	1.0
70.51853	0.5
71.06110	1.3
71.72501	0.8
72.08144	0.7
76.02223	2.7
78.33919	0.5
79.05499	3.3
81.07057	3.3
81.21497	0.6
82.95406	0.6
83.04511	0.9
83.04979	13.0
84.04522	0.8
87.04467	0.9
89.02413	0.7
91.05472	19.4
93.06513	0.6
93.07034	2.7
95.04971	1.0
95.08593	2.1
96.04504	1.5
97.02921	0.6
98.98450	0.9
99.04453	0.9
101.06008	9.4
103.03271	3.7
103.05466	1.0
103.81111	0.5
105.07019	11.9
111.04442	12.5
111.39684	0.7
113.05984	1.7
114.05544	1.0
115.05434	3.4
116.06281	3.2
117.07011	17.0
117.86895	0.5
118.06546	0.7
119.08570	4.3
127.07564	1.9
128.06175	0.8
129.05496	8.0
129.06989	6.8
130.07774	3.6
131.08559	100.0
132.08852	3.1
137.05879	0.6
143.08553	2.6
144.09335	2.7
145.06480	3.6
145.10117	23.5
146.05939	1.4
146.10483	0.8
149.11545	0.6
149.94020	0.7
155.03333	0.7
155.07019	9.9
155.08403	1.0
158.06212	1.0
158.07394	0.8
158.10887	2.8
171.11691	1.4
173.04623	0.7
173.05887	1.9
173.08234	15.7
173.09752	2.5
173.13251	73.5
174.07599	1.0
174.08960	0.6
174.13571	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	173.0206
Annotation	Glycerol 2-phosphate
Peak:m/z	Relative Intensity
51.59959	0.5
55.05504	12.3
57.03416	2.3
58.87270	0.5
59.04986	2.0
71.06106	0.7
75.04468	2.1
76.02224	1.4
81.07047	0.7
83.04968	12.8
86.06036	0.5
87.04424	0.7
90.90362	1.1
91.05491	1.5
91.44903	0.5
96.04482	1.4
97.02879	0.7
98.98454	100.0
99.04454	1.0
101.06008	10.1
103.03282	2.5
105.07019	1.2
111.04428	11.0
113.05984	1.3
114.05518	1.7
115.03910	0.8
115.05414	0.7
116.34595	0.6
116.99499	4.0
117.06998	1.9
119.08514	0.6
127.07525	1.4
128.07080	1.2
129.05470	8.2
129.06984	1.1
131.08549	4.4
135.60518	0.6
140.01074	1.9
143.08574	0.7
145.05449	0.7
145.06461	2.6
145.10144	2.5
146.05981	1.0
149.94049	1.1
155.06996	9.8
173.02272	0.6
173.04610	0.8
173.05901	1.5
173.06532	0.7
173.08174	14.4
173.09737	0.7
173.13220	5.4
174.05466	0.7
174.07620	1.7
174.12764	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.0807
Annotation	Cleroindicin D
Peak:m/z	Relative Intensity
54.22623	2.8
55.05505	38.9
59.04989	6.9
61.16544	3.2
67.05502	4.2
68.05032	3.7
68.40222	3.1
70.96696	9.4
71.04961	3.7
71.06063	3.1
76.02216	6.0
76.91263	3.2
83.04973	38.4
87.05573	3.6
90.90370	66.1
91.05463	7.1
93.07018	3.2
96.04472	6.3
99.04443	7.4
101.06026	33.7
103.03265	12.5
105.07050	7.1
108.91409	4.1
111.04427	39.1
111.05568	11.6
113.06023	4.2
115.03930	3.7
117.07014	13.7
127.07552	9.0
129.05463	39.2
130.07721	3.9
131.08559	29.7
131.92973	8.3
132.05573	11.4
133.05234	4.3
133.06351	9.1
143.08568	5.7
145.06512	12.9
145.10123	17.4
146.07098	12.4
147.06676	7.5
149.94011	46.2
150.06578	4.3
155.07013	40.8
158.07253	6.2
158.10909	11.8
167.95033	4.2
169.43668	3.2
172.95633	12.5
173.04614	3.7
173.05878	8.9
173.06561	5.2
173.08188	100.0
173.09634	3.3
173.13240	35.4
174.05406	7.4
174.07719	14.5
174.09039	5.8
174.12744	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	173.1325
Annotation	1,1,5-trimethyl-1,2-dihydronaphthalene
Peak:m/z	Relative Intensity
53.03926	1.7
55.01854	1.6
55.05507	39.7
56.05016	1.5
56.96553	1.8
57.03422	2.4
57.07059	1.6
59.05001	6.8
59.06113	1.7
60.04507	1.2
61.38015	0.7
64.16171	0.7
65.03911	0.8
67.05498	6.4
69.03403	2.6
69.07046	2.2
70.06574	2.9
70.69740	0.7
70.95846	2.5
71.04981	1.8
71.06075	0.9
71.72309	1.1
72.08124	3.8
72.93786	15.7
73.02912	1.2
73.06553	1.0
74.06018	0.9
76.02210	2.1
79.05475	3.2
81.03412	1.6
81.07042	5.8
82.06544	1.1
83.04973	40.4
84.04508	4.4
84.05281	0.8
84.08130	1.5
85.04020	0.8
85.06490	1.3
86.06053	1.8
86.09702	2.2
87.04459	2.6
87.05569	1.4
88.07603	0.8
88.96838	1.1
89.02379	2.5
90.90388	1.2
90.94817	9.5
91.05474	15.2
93.07023	2.2
95.04932	1.3
95.08583	2.3
96.04515	1.3
97.02882	1.4
97.06532	1.5
98.06089	0.7
98.98457	2.9
99.04424	2.2
101.06016	29.4
103.03291	3.6
103.05471	1.2
105.07019	12.9
108.95846	3.5
109.02868	0.8
111.04434	37.3
111.98446	2.4
113.05990	5.5
113.07121	1.3
113.96384	1.6
114.05495	1.5
115.05452	5.8
115.08681	1.7
116.06267	3.6
117.07012	13.5
118.06525	1.3
119.08578	16.5
127.07548	5.8
127.09490	1.2
128.06216	3.4
128.07048	1.4
128.10712	2.0
129.05478	21.3
129.06970	13.4
129.99544	1.6
130.06520	2.1
130.07805	4.9
131.04886	1.4
131.08556	71.3
131.97408	2.0
132.06599	0.9
132.08910	1.9
132.95824	4.2
133.10103	3.2
137.05914	1.2
142.07755	1.3
143.08546	23.1
144.08144	1.0
144.09344	10.0
145.06526	8.3
145.08400	9.2
145.10106	33.8
146.05965	2.2
146.10431	1.6
149.94073	1.2
149.96071	2.0
149.97183	1.5
150.96878	10.4
155.03459	0.9
155.05020	1.3
155.05867	1.7
155.07024	28.7
155.08307	1.4
155.97411	1.8
156.07492	1.0
156.09311	1.7
156.11327	1.2
156.13853	3.9
157.10133	1.5
158.07249	2.1
158.10902	31.1
159.11324	1.1
167.97093	4.0
171.11620	2.6
173.04524	1.6
173.05972	6.4
173.08119	46.8
173.09721	2.6
173.13245	100.0
173.98480	2.4
174.05394	1.6
174.07457	1.3
174.08870	1.3
174.12454	1.1
174.13739	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	172.0967
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16547	0.6
55.01876	0.9
55.05505	9.4
56.05026	1.6
57.03431	1.0
57.07066	1.1
58.06599	0.6
58.16639	0.5
59.04985	1.4
59.06125	0.9
66.94006	0.6
67.05499	3.7
68.05840	0.7
69.07063	100.0
70.02950	1.3
70.06595	2.5
70.07387	1.9
70.10934	2.2
70.37712	0.6
71.06131	0.6
71.59312	0.6
72.04516	1.0
72.08153	1.6
72.93786	3.7
80.05828	0.8
81.07063	1.0
81.89931	0.5
83.04963	8.6
83.08633	1.9
84.04517	1.3
84.08132	9.2
85.06551	1.1
86.02433	1.0
86.06061	1.1
86.09698	53.1
87.00810	6.8
87.10023	0.8
89.02370	0.9
90.94830	3.2
91.05467	1.0
98.02424	3.3
98.06042	1.7
98.97572	0.8
101.06013	6.4
101.07095	0.7
104.03457	71.4
105.03831	0.7
108.08144	1.2
108.08923	1.6
108.95845	0.9
109.06520	1.0
111.04423	10.2
111.08086	1.5
112.03913	0.7
112.05074	1.2
112.07600	21.4
113.05988	1.2
113.07147	0.9
113.07910	0.8
113.96409	0.8
114.06683	0.7
115.05454	1.3
116.03442	13.6
117.06992	1.2
126.05502	1.9
126.09139	4.4
127.07536	1.8
128.10718	0.8
129.05460	5.4
130.08647	1.0
131.08583	1.3
132.15111	0.7
136.07524	0.9
137.05933	1.3
144.08012	1.2
145.06488	1.5
148.97353	0.8
149.96062	1.3
149.97183	0.6
154.08592	13.9
154.09708	0.9
155.07018	8.0
155.08925	0.8
167.97121	2.0
172.05096	0.8
172.07355	1.4
172.09666	30.9
172.10869	1.1
173.05896	0.9
173.08118	11.4
173.09720	1.0
173.13187	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	172.0967
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78792	0.7
53.03930	0.7
53.30032	0.6
55.05504	11.7
56.05016	0.9
56.96560	1.3
57.07070	3.7
57.47711	0.6
58.06575	0.8
59.04986	2.8
60.04510	1.5
67.05508	3.5
68.05026	1.2
69.03416	1.6
69.07061	29.7
70.02945	16.9
70.06577	3.3
71.15365	1.7
72.04495	1.5
72.08137	1.2
72.93789	4.4
81.07033	0.9
82.06580	0.8
83.04971	13.2
83.06103	1.3
83.08577	0.8
84.04473	1.6
84.08132	17.0
85.02864	0.7
85.06536	1.1
86.09697	100.0
87.00819	13.1
87.04461	1.1
87.10023	1.1
90.90369	1.5
90.94815	3.0
91.05474	1.0
94.06559	2.5
95.04995	0.7
98.02408	7.1
98.06065	1.9
98.09698	1.2
98.97586	0.8
101.06003	9.1
103.03260	1.0
103.05466	1.0
104.03456	29.3
105.01875	1.0
105.07043	1.1
108.95871	1.4
109.10161	0.9
111.04436	12.2
112.03956	48.3
112.07600	13.5
113.04284	1.2
113.06009	1.2
113.07162	0.7
113.96396	1.0
115.05468	1.9
116.03441	23.9
116.06224	1.4
116.98628	0.9
117.07022	1.8
126.05518	1.6
126.09155	5.4
127.07526	1.4
128.70674	0.6
129.05486	6.9
130.08647	1.4
130.96330	0.9
131.04944	1.1
131.08554	2.1
144.05672	1.3
144.08078	1.8
145.06499	1.8
145.10106	1.3
148.97473	0.9
149.94054	1.2
154.06097	0.7
154.08620	3.7
155.07016	10.1
155.08238	0.7
158.10876	0.7
167.97018	1.4
172.05170	2.2
172.07535	2.3
172.09685	15.9
172.11047	1.6
172.15271	0.7
172.16983	1.7
173.05907	1.0
173.08104	12.6
173.09676	1.1
173.13248	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.1014
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	3.0
55.01868	7.7
55.05505	100.0
56.05848	1.8
56.96561	0.6
57.03434	1.4
57.07066	1.2
59.04994	2.7
65.03920	0.5
67.05499	10.6
69.03427	6.3
69.07062	13.7
70.06606	0.6
70.87904	0.7
70.88239	1.0
71.04978	0.8
72.04510	10.6
73.06563	0.7
73.54723	0.5
77.27142	0.5
79.05484	17.3
80.05810	0.4
81.07047	14.9
83.04968	5.6
83.08610	39.1
84.04486	0.8
84.08963	0.7
85.02902	0.6
85.06553	0.9
87.04461	1.2
88.07660	0.4
89.07143	7.3
89.93311	0.4
91.05454	3.0
93.07027	2.7
95.04989	0.7
95.08582	0.5
96.39483	0.5
97.06557	0.6
97.10159	41.0
98.06070	0.6
98.10499	1.4
98.70768	0.4
101.09646	1.1
105.07030	1.1
107.08585	10.6
108.08987	0.6
109.02898	0.5
109.06505	0.8
111.04443	1.0
111.08105	0.9
115.05469	0.6
117.87411	0.4
125.07861	0.5
125.09615	9.6
125.10479	0.6
126.05538	0.8
126.09140	5.0
128.06171	3.4
129.06999	3.7
135.08095	1.1
141.07008	1.3
142.07840	1.2
143.08542	5.4
156.09361	2.0
171.05522	0.6
171.06812	0.6
171.07935	2.1
171.10162	0.9
171.11646	7.8
171.14905	4.3
172.09737	1.2
172.16992	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.1126
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	1.6
56.05027	1.4
58.06590	1.5
59.06132	0.5
65.03917	0.4
67.05491	0.5
68.05011	3.2
69.07069	0.7
70.06586	0.8
71.39152	0.8
72.04513	1.5
72.08144	3.1
73.08488	0.3
74.02436	0.7
74.04381	0.3
79.05482	2.1
80.05019	0.5
81.03387	0.5
81.06589	0.7
81.07043	6.9
81.07484	0.7
82.06570	5.1
82.84307	0.4
83.04977	0.7
83.06094	4.5
83.08615	1.3
83.13841	0.4
84.04465	0.6
84.08131	5.9
85.07631	0.4
86.09738	0.4
89.07138	1.4
91.05468	1.2
93.05770	0.8
93.07032	0.4
95.04973	0.4
96.08121	12.1
97.07629	0.5
97.08457	0.5
98.06029	0.5
98.09682	11.5
107.01315	0.5
108.08107	13.7
108.08823	0.8
108.65707	0.4
109.02879	0.6
109.35769	0.4
111.04388	0.4
125.02293	0.4
125.10737	100.0
126.05421	0.5
126.09144	2.8
126.11108	2.2
129.10197	0.7
135.06346	0.4
139.00349	0.4
153.07434	0.8
154.08601	0.9
156.09256	0.4
156.50377	0.4
168.37732	0.4
171.02847	0.4
171.11269	33.4
172.09633	1.4
172.11578	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	170.1175
Annotation	Ethyl N-methyl-1,2,5,6-tetrahydro-pyridine-3-carboxylate
Peak:m/z	Relative Intensity
53.03954	0.6
55.01865	2.3
55.05507	5.9
56.05028	2.7
56.96561	2.3
57.03423	1.0
57.04568	0.6
57.07072	0.8
58.05372	0.5
58.06589	1.5
59.04969	0.5
59.06118	1.4
65.03963	1.4
67.05505	2.4
68.05025	2.6
68.05835	0.7
68.99781	0.7
69.03428	2.2
69.04523	0.7
69.07056	2.0
70.06586	77.0
70.94257	1.1
71.04984	3.2
71.06920	1.4
71.30640	0.9
71.30975	0.8
72.04504	5.9
72.08149	7.3
72.93785	5.3
74.06059	1.2
79.05481	3.3
80.05020	2.1
81.03419	1.6
81.04540	0.7
81.05787	1.3
81.07056	3.3
82.06566	5.0
83.04974	2.6
83.06093	3.1
83.07362	0.7
83.08617	2.0
84.04506	2.1
84.08126	3.0
85.02903	1.4
85.04035	0.7
85.07678	0.9
86.06075	1.0
87.04465	1.0
88.07678	0.6
89.07161	2.9
89.96426	0.6
90.94818	2.3
91.05482	0.7
92.05013	3.2
93.05771	4.4
93.07051	1.5
94.06575	1.8
95.04951	1.0
95.06086	1.1
95.08609	1.0
96.04478	2.0
96.08112	7.5
97.02875	0.8
97.06526	1.3
97.07655	1.7
98.06051	1.2
98.07195	0.6
98.09681	0.8
99.04453	0.6
99.05535	1.2
99.09207	0.8
100.07632	4.0
106.06540	1.4
107.01321	1.2
107.04958	1.0
107.06072	0.6
107.08607	1.5
108.08119	0.9
108.95858	0.8
109.02877	1.3
109.07646	1.9
110.03191	1.3
110.06042	4.6
110.07172	1.5
110.09670	1.1
111.04450	2.9
111.05570	1.7
111.08057	1.0
111.09213	2.6
112.03949	0.6
112.07610	1.9
112.08308	0.6
113.07123	0.9
113.96344	0.6
114.05535	1.2
115.05454	3.6
118.97596	0.6
123.09190	0.9
124.07603	10.6
124.11221	70.0
125.02367	1.0
125.05978	1.2
125.07117	1.8
125.07941	0.9
125.09608	1.1
125.11565	1.9
126.05489	0.8
126.09120	0.9
127.03955	1.5
127.08683	0.9
128.06200	2.0
128.07076	6.4
128.08104	0.8
128.95053	1.2
129.05518	0.7
129.06851	0.7
131.97423	1.4
134.06004	2.0
135.06409	0.6
135.11659	0.6
139.03857	1.3
141.05521	0.6
142.05807	1.9
142.08643	5.7
142.12273	4.6
143.04857	0.7
143.05919	0.7
143.08554	2.9
146.96135	1.9
146.97401	1.9
146.99600	0.8
147.96895	7.3
152.07057	6.6
152.08139	1.2
152.10657	2.0
153.01819	1.5
153.05502	0.8
153.06555	0.6
153.09026	0.5
153.10152	1.2
156.09305	1.2
157.01323	2.1
164.98332	1.2
165.97989	5.8
170.06078	5.8
170.08095	9.8
170.09550	9.6
170.11745	100.0
170.98497	1.0
171.02847	1.3
171.04283	1.3
171.07932	1.3
171.10034	1.3
171.12218	2.7
171.14894	2.0
181.83908	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	170.1175
Annotation	Ethyl N-methyl-1,2,5,6-tetrahydro-pyridine-3-carboxylate
Peak:m/z	Relative Intensity
53.03951	0.6
53.56914	0.4
54.03461	0.8
55.01870	1.7
55.05511	5.4
55.93521	1.1
56.05027	2.4
56.05266	0.5
56.96559	0.9
57.03421	1.0
57.07069	0.6
58.06593	1.7
59.06107	1.2
60.04507	0.7
65.03939	1.3
66.04279	0.4
67.04264	0.5
67.05495	1.8
68.05016	2.5
68.99786	0.8
69.03426	1.2
69.04536	0.8
69.07071	2.7
70.06586	70.8
70.23663	0.5
71.04988	3.5
71.06087	0.7
71.06920	1.6
71.31018	0.5
71.71664	0.7
72.04509	5.5
72.08147	4.5
72.93787	1.2
79.05495	2.6
80.05009	1.6
80.05846	0.7
81.03397	1.7
81.04540	0.8
81.05781	0.5
81.07067	2.7
82.02938	0.8
82.06563	2.8
82.07362	0.7
83.04971	2.5
83.06088	2.2
83.08591	1.1
84.04479	2.5
84.08143	3.3
85.02887	1.2
85.07667	1.4
85.08458	0.6
86.06045	2.1
86.09692	1.7
87.04458	1.2
88.07587	0.5
88.96909	0.8
89.07141	3.1
91.05462	1.0
92.05006	3.1
93.05780	4.6
93.07026	1.0
94.06562	1.7
95.04971	0.9
95.06093	2.0
95.08622	0.7
96.04476	1.0
96.05279	0.6
96.08109	8.1
97.03967	0.7
97.06519	0.8
97.07645	1.9
98.06049	1.9
98.09660	0.7
99.04469	0.8
99.05570	1.2
100.07610	3.7
106.06554	1.3
107.01286	1.5
107.04931	0.9
107.08582	1.3
108.04438	0.6
108.08115	1.3
109.02893	1.5
109.06512	0.8
109.07655	1.3
110.02246	0.5
110.03192	0.7
110.06047	4.8
110.07153	1.2
110.07899	0.6
110.09679	1.2
111.00800	0.9
111.04446	2.8
111.05576	1.4
111.08049	1.3
111.09223	3.0
112.07603	1.0
112.09502	1.2
113.07114	0.8
114.05544	1.0
115.05450	2.4
122.06042	1.1
122.07083	0.6
124.07600	8.5
124.11223	57.7
125.02361	1.2
125.05949	1.0
125.07096	1.1
125.09651	0.9
125.11545	1.6
126.09149	0.8
127.03838	0.7
127.08601	1.1
128.04955	1.7
128.06195	2.7
128.07071	5.3
128.08092	0.8
128.11841	0.7
128.95113	1.4
134.05980	1.4
135.11665	0.8
137.08328	1.9
139.03879	1.9
140.07027	0.8
141.06946	1.1
142.05777	1.8
142.08612	5.6
142.12285	3.5
143.08563	2.3
146.05998	1.0
146.96089	1.7
146.97267	0.7
146.99698	0.6
147.96890	2.1
152.07060	5.7
152.08121	0.7
152.10683	1.9
153.01811	1.1
153.07445	0.8
153.09042	0.8
155.03314	1.5
155.08495	0.6
156.09317	3.4
157.01323	0.9
165.97916	2.2
170.06050	5.8
170.08080	10.5
170.09596	11.4
170.11749	100.0
171.02936	1.2
171.04305	1.2
171.06570	1.0
171.08070	2.6
171.10123	1.0
171.11916	4.8
171.14909	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	170.0811
Annotation	6-HYDROXYDOPAMINE
Peak:m/z	Relative Intensity
54.03469	1.2
55.01867	1.3
55.05505	1.3
56.05027	7.4
56.42413	0.5
56.96553	1.6
57.03422	1.1
58.06587	1.0
64.37679	0.6
65.93952	0.5
67.05495	1.2
68.05027	4.1
69.03426	6.7
69.05805	1.2
69.07066	1.3
70.06583	81.8
70.95860	0.6
71.04982	2.5
71.06917	1.2
72.04521	1.5
72.08138	1.6
72.93779	2.2
72.95000	0.5
73.02898	1.8
73.98936	0.6
79.05492	8.9
80.05022	2.0
81.03426	0.8
81.07038	1.5
82.02927	2.1
82.06570	1.8
83.04977	0.7
83.06103	1.2
84.04493	2.3
84.08125	1.2
84.57349	0.5
85.02885	0.8
86.06052	1.9
87.04483	2.6
89.07146	0.7
90.94837	1.2
92.04989	1.2
93.05785	2.1
94.06546	2.9
95.04943	0.7
96.04478	2.0
96.08122	46.4
97.02871	1.6
97.05276	1.1
97.07622	0.5
97.08412	0.8
97.08945	0.8
98.06021	1.2
98.20728	0.6
99.05565	0.9
100.07624	0.7
106.06547	23.6
107.04966	0.7
108.08109	5.0
109.07649	0.8
110.06052	1.2
112.07536	0.7
114.05515	2.3
114.09157	12.3
120.48841	0.6
124.07582	90.9
124.11225	2.8
125.06041	0.6
125.07072	0.8
125.08467	4.2
126.05529	0.5
128.07072	1.4
128.95108	0.7
128.98566	0.6
129.04039	1.1
131.80077	0.5
134.06017	1.3
139.00272	1.4
139.03931	0.9
142.08624	36.0
143.08904	1.0
146.96112	1.0
146.97321	1.2
147.96924	2.5
152.07030	3.8
153.01834	1.1
153.07466	0.6
157.01286	0.8
165.97992	2.1
170.08116	100.0
170.11668	4.9
170.15419	0.8
171.08434	2.8
171.14899	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	170.0811
Annotation	Pyridoxine
Peak:m/z	Relative Intensity
52.35754	0.5
53.03919	1.0
54.03459	0.5
55.01864	3.4
55.05513	2.7
55.93496	2.3
56.05032	4.5
56.95915	0.6
56.96557	15.7
57.03404	1.6
58.06582	1.7
60.04494	0.7
60.05619	0.7
60.75615	0.6
63.02362	0.5
65.03918	1.4
66.03436	0.4
67.05473	1.3
68.05005	2.3
69.03428	2.8
69.07040	1.6
69.92530	0.5
70.02937	0.5
70.06219	1.0
70.06584	16.7
70.94234	1.6
70.95847	3.4
71.01318	0.7
71.04970	2.3
71.06882	0.7
71.72324	0.8
71.94090	1.0
71.95232	0.5
72.04502	1.2
72.08147	5.6
72.93780	9.2
73.02885	1.8
74.97571	0.5
79.05476	4.3
80.04990	1.7
81.03395	2.1
81.04526	0.6
81.07043	2.9
82.06572	2.9
83.04953	1.9
83.06084	2.2
83.08611	0.5
84.04488	2.0
84.08121	3.9
84.94857	0.8
84.95996	0.8
85.02877	1.9
86.06069	0.9
86.09673	0.9
87.04465	1.2
88.02206	1.0
88.95291	1.1
88.96902	3.0
89.07162	0.7
89.96407	1.1
90.94321	0.4
90.94828	3.6
91.05477	1.0
92.04980	1.4
93.05772	1.9
94.06537	1.6
95.04955	1.2
95.06068	1.1
96.04485	1.1
96.06842	2.2
96.08121	10.4
97.02888	2.9
97.06484	0.7
97.07628	1.3
98.06025	1.8
98.09676	2.7
98.97575	2.5
99.09180	1.8
99.94835	0.7
100.02435	1.5
100.07594	1.9
101.00804	0.8
102.07413	0.5
103.02406	1.6
106.06533	4.8
107.04961	4.3
107.06869	0.6
108.08082	2.1
109.02861	2.1
109.06483	1.2
109.07619	2.3
110.02431	0.6
110.03534	0.5
110.06056	3.0
110.07151	5.5
110.09661	0.8
110.97559	1.9
111.04463	2.5
111.09179	1.0
111.98470	0.6
112.07582	1.0
112.11246	0.6
113.07099	0.5
113.96368	2.1
114.05505	3.0
114.09126	1.8
115.03883	0.6
116.00167	0.8
116.98608	2.9
118.03504	0.6
119.00138	0.7
119.01901	5.1
119.03546	0.7
120.02002	1.0
121.01627	1.2
123.02840	0.5
123.04388	0.6
123.06784	1.3
124.05152	0.6
124.07565	19.7
124.08662	4.6
124.11173	2.2
125.04573	0.6
125.05981	1.8
125.07040	0.9
125.10746	7.7
126.06596	0.5
126.09089	0.7
126.10264	0.5
126.12797	0.7
127.03887	1.0
127.08655	0.9
128.03479	0.5
128.06226	0.7
128.07063	2.7
128.07996	0.6
128.95105	3.2
128.98596	3.5
129.04004	0.6
129.95810	0.5
131.01921	0.8
131.03554	0.6
131.97427	2.5
133.01694	1.0
134.01221	0.7
134.05998	64.7
134.99696	1.1
135.04356	1.1
135.06337	4.0
136.05229	1.1
136.06157	6.9
137.02945	1.4
139.00262	4.5
139.03854	1.8
141.13826	0.5
142.00058	0.6
142.03461	0.9
142.04936	1.5
142.07225	1.5
142.08609	6.5
142.12233	0.8
143.08345	0.6
145.01610	0.7
145.03453	0.6
146.96104	4.2
146.97322	4.7
146.99620	4.8
147.01343	2.7
147.03183	0.8
147.04984	3.4
147.96912	9.1
150.05469	0.6
152.07047	100.0
153.04292	0.8
153.05463	3.1
153.07433	6.9
153.11403	0.5
155.03333	0.9
157.01300	5.3
164.98433	4.8
165.00670	1.8
165.04507	0.5
165.06049	1.7
165.97954	6.3
169.98947	1.0
170.01364	0.6
170.02995	1.1
170.06694	1.6
170.08109	34.3
170.09496	6.3
170.11670	6.0
170.12985	0.5
170.98500	1.2
171.02875	1.3
171.06543	0.6
171.08247	0.5
171.09975	0.7
171.11163	2.7
171.14873	1.0
173.98572	0.5
174.06094	1.1
177.04369	0.5
188.00021	0.6
188.07687	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.0583
Annotation	Unknow
Peak:m/z	Relative Intensity
54.54794	3.2
59.69784	3.4
62.79451	2.9
71.72395	6.8
72.08153	5.3
89.63888	3.1
90.73428	3.6
97.02917	3.8
119.01887	12.2
124.03703	9.4
124.08688	4.4
127.72534	3.1
134.06012	6.6
137.02928	3.4
145.03442	5.5
151.02866	3.7
151.04776	100.0
152.03206	27.3
152.07074	14.6
163.04684	4.7
169.05873	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	169.0583
Annotation	Unknow
Peak:m/z	Relative Intensity
54.54794	3.2
59.69784	3.4
62.79451	2.9
71.72395	6.8
72.08153	5.3
89.63888	3.1
90.73428	3.6
97.02917	3.8
119.01887	12.2
124.03703	9.4
124.08688	4.4
127.72534	3.1
134.06012	6.6
137.02928	3.4
145.03442	5.5
151.02866	3.7
151.04776	100.0
152.03206	27.3
152.07074	14.6
163.04684	4.7
169.05873	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	170.081
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51484	0.8
54.03459	1.1
55.01862	7.5
55.05491	2.4
55.93506	1.3
56.05032	16.9
56.96563	7.5
57.03421	1.8
61.02923	0.8
63.12450	0.9
64.19832	0.7
68.05024	4.5
68.99780	2.1
69.03416	6.1
69.07038	1.0
70.06584	85.6
70.95837	1.0
71.04972	4.1
71.70988	1.0
71.71381	1.3
72.04500	2.4
72.08132	2.0
72.93775	1.3
73.02888	3.8
79.05493	7.4
80.04984	1.8
80.25822	0.8
81.03422	1.5
81.07054	1.5
82.02916	1.8
82.03696	1.3
82.06557	3.7
83.06074	2.9
84.04498	5.6
84.08118	1.4
85.02874	1.2
86.06069	2.2
87.04436	2.9
88.96880	2.1
89.07134	2.1
90.94804	1.0
92.04980	2.4
93.05760	3.3
94.06561	2.2
95.02485	1.0
95.04939	1.4
95.06049	2.1
96.04494	2.0
96.06864	15.3
96.08119	40.7
97.02874	2.4
97.07629	3.6
97.08398	1.0
98.06031	1.2
98.97560	2.2
100.02486	1.1
100.07600	1.5
101.00811	1.3
102.02261	1.4
103.02431	1.6
106.06544	20.5
107.04944	1.5
108.08109	6.3
109.07629	6.7
110.06026	3.7
111.00789	2.5
111.04417	1.3
114.05507	2.2
114.09142	12.5
115.02480	1.2
115.04000	0.8
116.98596	1.7
119.01923	5.6
120.02003	3.3
121.01624	2.4
124.07585	87.6
124.08655	11.8
124.11177	5.0
125.06071	1.1
125.07074	4.6
125.07894	1.6
125.08327	3.0
126.09149	1.3
126.10295	1.3
128.07071	3.2
128.95052	1.7
128.98587	2.8
131.97357	1.0
133.01672	1.0
133.03456	1.9
134.06009	7.5
134.99623	1.4
135.06346	2.9
135.98911	0.9
136.06186	2.0
139.00258	11.9
140.07089	0.9
142.03511	1.0
142.05762	1.3
142.08621	35.1
142.12155	1.4
143.08604	1.2
146.96107	2.5
146.97240	1.7
146.99594	5.3
147.01384	3.3
147.03186	1.4
147.04988	1.6
152.07059	15.1
152.10628	1.1
153.07431	6.9
157.01309	14.9
164.98396	1.2
165.00621	1.2
168.22627	0.9
170.08102	100.0
170.09393	8.9
170.11703	11.3
171.02820	1.9
171.07495	5.5
171.09950	1.2
171.11313	2.7
171.14902	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	168.0653
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03740	0.9
53.04010	3.7
55.01702	0.5
55.01941	1.5
55.05339	0.5
55.05577	1.4
56.05105	1.9
56.94347	0.6
56.96628	5.3
57.03479	0.6
58.06642	0.6
59.05902	0.4
59.06170	0.9
60.04573	1.1
61.02693	0.4
61.02969	1.1
61.91223	0.5
65.04008	2.1
67.05575	2.4
67.92557	0.8
68.05094	4.5
68.99828	0.8
69.03419	3.0
69.04613	0.5
69.07134	2.0
70.02981	0.4
70.04104	0.7
70.06658	4.9
70.42855	0.5
70.95921	0.5
71.01435	0.6
71.05048	1.6
71.19080	0.7
71.19408	0.8
72.04573	1.3
72.08208	1.2
72.93835	1.0
73.04063	0.5
79.05482	2.7
80.05022	4.1
80.05872	0.7
81.03407	12.1
81.04581	1.0
81.05833	0.6
81.07111	1.7
82.06567	4.3
82.94905	2.2
83.04980	2.5
83.06084	2.6
84.04483	4.3
84.08134	3.5
84.85882	0.5
84.93885	0.6
85.02902	3.6
85.07671	1.0
86.06054	2.4
87.04522	0.8
90.94869	0.8
91.05525	1.0
91.08344	0.5
92.04987	12.0
93.07113	0.6
94.02988	0.5
94.06553	4.5
95.04428	0.7
95.04938	2.8
95.06074	2.5
95.08669	1.2
96.04477	2.6
96.08083	2.2
97.02952	1.4
97.05196	0.7
97.06571	1.0
97.07641	3.4
98.03690	0.9
98.06037	5.4
98.97628	0.8
99.04405	3.3
99.05653	0.5
99.09188	0.6
100.04008	0.8
100.07670	0.5
102.94910	0.6
106.06579	1.6
107.05011	1.3
107.06137	0.6
107.07368	0.5
108.04477	7.0
108.05173	0.6
108.08170	2.2
108.08910	0.6
109.02869	19.3
109.06535	1.1
109.07633	7.2
109.10169	1.0
110.03745	0.8
110.06022	7.8
110.07204	1.0
110.08510	0.6
111.00857	1.9
111.04439	3.3
111.05592	1.4
111.09227	2.8
112.03985	0.8
112.06371	0.5
112.07603	3.0
113.07175	0.8
114.05570	1.1
116.98613	0.7
119.01950	0.7
120.08103	0.9
121.01690	0.9
121.07623	0.5
121.08426	0.5
122.06023	6.4
122.06852	0.8
122.08800	1.2
122.09692	2.2
122.10478	0.6
123.04452	1.8
123.05551	0.9
123.08109	1.3
123.09212	2.3
123.97483	1.5
124.03944	1.1
124.04916	0.6
124.07565	4.5
124.08331	0.5
125.02417	0.5
125.04584	3.0
125.06041	1.6
125.07098	1.9
126.03128	3.5
126.05490	7.1
126.09218	0.8
126.10227	1.3
126.93793	0.7
127.03902	7.0
127.08704	1.3
128.07060	1.0
128.09509	0.7
130.08701	0.5
133.07607	1.0
134.06001	5.6
136.03893	0.8
137.02267	0.7
137.05984	0.8
138.10233	0.6
140.03403	2.2
140.05679	1.6
140.07065	3.0
140.08063	0.9
140.10674	1.2
141.05447	7.8
141.06477	0.9
141.10251	0.9
144.94829	0.7
144.95779	2.5
145.03468	0.9
145.97366	0.6
150.05475	8.0
150.06586	0.7
150.09116	1.7
150.10219	1.6
151.03845	1.2
151.04956	1.1
151.06122	1.4
151.07430	0.7
151.08646	11.7
151.10504	0.6
152.07040	9.0
152.08214	0.9
153.06972	2.0
154.04970	100.0
155.05334	2.6
156.03300	2.4
162.95831	1.9
162.96880	2.0
162.99144	1.4
163.02780	0.5
167.08337	0.6
167.96199	0.6
168.02898	1.7
168.05193	1.6
168.06516	22.3
168.07690	1.1
168.10132	6.5
168.11298	5.5
168.14961	0.6
169.03571	0.8
169.04904	4.6
169.06378	0.8
169.09721	4.5
174.04388	7.3
181.98636	0.9
182.31157	0.6
186.04388	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	168.0654
Annotation	Myrothenone A
Peak:m/z	Relative Intensity
53.03943	1.2
54.03469	0.6
55.01868	1.4
55.05501	2.0
56.05032	2.4
56.96557	2.3
57.03431	0.4
57.07084	0.4
58.06598	1.5
59.06115	0.8
65.03931	1.9
67.01880	0.5
67.05499	5.2
67.92500	3.2
68.05028	2.9
68.99776	0.9
69.03426	1.8
69.04533	0.9
69.07059	100.0
70.02953	0.9
70.03767	0.4
70.06583	17.5
70.06975	0.9
70.07395	1.8
70.95863	0.5
71.04996	1.0
71.71342	0.6
72.04539	0.6
72.08141	2.3
72.93777	1.0
73.02903	0.8
79.05500	3.1
80.05009	1.9
80.05787	0.4
81.03407	4.7
81.04527	1.1
81.07050	2.1
82.06567	2.8
82.94834	4.7
83.04956	1.1
83.06092	1.8
84.04490	1.5
84.08147	2.0
85.02898	1.7
85.07660	0.9
85.94598	0.5
86.06063	1.0
86.09697	0.4
90.94791	1.0
94.06564	4.2
95.04396	0.7
95.04961	8.8
95.06057	2.1
95.08584	0.8
96.04490	0.9
96.08121	1.5
97.02893	0.8
97.04002	0.5
97.06522	8.2
97.07619	2.5
98.03674	0.5
98.06026	2.0
98.06713	0.5
99.04443	0.9
100.03954	0.6
100.95867	0.8
102.94893	0.5
104.04942	0.4
105.07011	0.8
106.06541	1.0
107.04962	0.5
108.04484	2.0
108.05181	0.5
108.08105	0.5
108.08895	0.4
109.02168	0.6
109.02863	7.6
109.06464	0.9
109.07628	6.7
110.06020	1.8
110.07142	1.1
110.08435	0.6
111.00779	2.1
111.04463	2.4
111.05552	0.6
111.09217	3.0
112.03952	0.5
112.07590	16.8
113.05952	0.6
113.07965	0.4
119.00184	0.7
120.08125	0.5
121.07597	0.5
122.06023	4.3
122.06848	0.8
122.09639	0.9
122.10467	0.8
123.04408	4.2
123.05500	1.1
123.08067	1.1
123.09156	2.2
123.97435	2.9
124.03914	0.6
124.04827	0.4
124.07564	1.4
124.08669	0.6
125.05956	0.7
125.07067	1.4
125.96397	0.4
126.03109	3.6
126.05482	2.9
126.06501	0.7
126.09154	0.5
126.10220	1.0
126.93730	1.9
127.03918	1.8
127.08646	0.8
128.09421	0.6
133.02786	0.8
134.06013	2.9
136.04749	0.5
137.02275	0.6
138.10185	0.7
140.07042	46.1
140.83665	0.4
141.05461	11.3
141.07382	1.0
141.10194	0.4
144.94757	1.3
144.95813	2.1
145.97377	0.5
150.05495	5.1
150.09091	1.1
150.10152	0.8
151.03891	1.9
151.04897	0.4
151.07588	0.6
151.08636	2.5
151.10623	0.5
152.07072	6.0
153.06923	0.9
154.02547	0.8
162.95726	3.4
162.97064	2.3
163.98544	0.6
168.05098	0.7
168.06494	12.7
168.07703	1.2
168.10101	2.6
168.11269	4.3
168.13672	1.0
169.04947	3.2
169.09833	1.0
181.98801	0.6
185.97408	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.143
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	6.0
55.01872	4.4
55.05504	74.2
56.05832	1.4
57.03432	6.0
57.07059	4.6
57.39540	0.8
59.04994	11.8
59.06101	1.2
65.03916	2.7
67.05496	22.1
67.56432	0.9
68.04997	1.7
69.03424	23.6
69.06693	0.9
69.07058	14.6
70.06574	3.7
71.04984	6.9
71.75015	1.0
72.08141	1.7
73.06539	1.3
78.04288	1.6
78.04700	15.2
79.05026	1.8
79.05485	31.0
80.04989	1.6
81.03383	2.6
81.07043	42.8
82.06561	2.4
83.04969	86.8
83.08104	1.6
83.08607	33.8
84.05300	1.1
84.08112	1.7
85.02866	0.9
85.06533	8.0
85.07632	0.9
91.05463	11.7
93.03406	0.9
93.07031	38.7
94.06522	1.0
94.07332	1.3
95.04958	8.7
95.06017	1.1
95.08595	21.7
96.04479	1.2
96.08916	1.0
97.02850	1.6
97.06513	13.3
97.07568	1.3
97.10156	8.4
98.06040	2.0
98.98499	0.9
99.08080	2.0
100.49596	0.8
103.05437	2.0
105.07015	14.2
106.04160	5.4
106.07847	1.1
107.04941	7.7
107.08578	28.2
109.02847	3.0
109.06496	6.5
109.07635	4.6
109.10143	17.6
110.03628	1.1
110.07128	1.5
110.08365	0.8
110.10468	0.8
111.04426	3.7
111.08070	25.8
111.09213	1.3
112.08863	6.1
113.09625	2.6
119.08552	3.1
121.01623	2.0
121.02872	1.6
121.06489	6.0
121.10130	86.7
122.03632	1.5
122.06097	1.0
122.07154	1.9
122.09676	1.3
122.10474	3.2
123.03508	1.5
123.04414	30.7
123.08044	10.9
123.11684	19.1
124.05205	9.8
124.08694	1.2
125.06007	5.8
125.06748	1.0
125.08217	1.6
125.09618	17.0
126.05531	1.1
131.08549	2.0
134.03633	1.5
135.04410	1.6
137.05948	1.7
139.07521	3.7
139.11154	12.9
140.07034	1.2
144.03177	1.7
149.02310	3.0
149.06013	2.0
149.09587	11.3
149.13254	5.7
150.05489	1.4
150.10233	3.4
151.03882	6.2
152.04677	7.6
152.05820	1.3
167.03362	2.6
167.07021	100.0
167.10619	11.9
167.11882	1.4
167.14287	31.4
167.15707	1.6
168.07623	4.1
168.10237	3.6
171.10156	0.9
176.14267	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	168.0654
Annotation	Orthoform
Peak:m/z	Relative Intensity
53.03932	11.5
53.91881	4.2
55.01861	9.0
55.05491	7.3
56.96560	5.2
57.03439	4.2
61.67680	3.3
65.30131	4.3
67.05489	11.9
68.05018	6.2
69.03432	8.5
69.07052	9.3
70.06573	7.0
70.27329	3.5
71.04970	7.4
71.74785	3.6
71.75191	4.3
72.04520	3.9
75.43522	3.7
79.05470	6.3
80.04996	11.4
80.07593	4.2
81.03417	44.9
81.07029	10.0
82.06558	4.7
83.04957	12.7
83.97594	4.1
84.04500	6.9
84.08104	4.9
85.02876	8.9
90.03468	6.8
91.05465	3.7
94.06583	18.2
95.04950	10.5
95.08579	8.1
96.04463	7.1
98.06032	24.2
99.04430	8.8
100.03972	4.1
103.98302	3.7
106.06511	5.0
107.08534	4.3
108.04483	21.5
109.02871	100.0
109.06477	6.0
110.06044	11.5
111.00810	5.2
111.04428	12.9
118.96870	3.7
121.99353	40.7
122.06016	27.6
122.09643	11.5
123.04414	10.0
123.08054	8.0
124.03874	7.8
125.05994	3.9
126.03087	10.4
126.05496	41.4
126.09135	4.9
127.03902	18.7
133.62897	3.6
136.03917	37.2
137.05977	10.5
140.00395	40.4
140.03362	7.7
140.07057	10.9
140.10657	5.2
141.00429	5.3
141.05466	35.3
141.06543	4.3
141.07014	3.9
143.97449	4.8
144.96533	4.5
145.00929	46.1
145.06432	3.5
150.05467	27.1
150.09135	15.3
151.03923	8.3
153.04240	6.1
153.06970	17.3
154.07709	6.0
163.02000	49.7
163.97653	4.9
168.02673	9.5
168.06532	70.1
168.07866	6.1
168.10234	48.1
168.11423	5.1
168.13800	5.3
169.04974	20.6
169.07608	4.3
169.10057	7.6
171.46449	3.5
186.03595	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	167.1429
Annotation	beta-fenchocamphorone
Peak:m/z	Relative Intensity
53.03933	3.6
55.01868	2.8
55.05503	86.8
56.05029	1.1
56.05844	1.1
57.03433	3.0
57.07071	2.9
59.04993	10.4
59.06103	1.2
65.03934	2.2
67.05492	14.9
68.05021	1.8
69.03423	22.4
69.07059	11.5
70.06593	1.8
71.04980	4.1
72.08140	1.5
78.04703	5.6
79.05482	10.7
80.05009	1.2
81.03407	2.0
81.07043	16.0
82.06569	2.3
83.04967	100.0
83.08607	33.4
84.05305	0.8
84.08144	1.4
84.08939	1.3
85.06528	8.3
91.05460	5.7
93.03408	0.7
93.07028	13.2
94.06567	0.9
95.04966	3.7
95.06106	0.9
95.08582	9.7
97.02865	0.7
97.06517	5.4
97.07642	1.0
97.10152	10.0
98.06058	0.9
99.08079	2.1
105.03377	0.7
105.07012	4.8
106.04171	2.0
107.04953	2.9
107.08572	19.8
108.04501	0.9
108.08908	1.0
109.02867	1.5
109.06505	3.3
109.07620	5.0
109.10146	18.0
110.07178	0.7
110.08372	1.9
111.04429	1.8
111.08065	24.8
111.09226	1.4
112.07614	0.7
112.08266	0.6
112.08868	8.9
113.09630	3.2
119.08544	1.1
121.01645	1.0
121.02853	0.9
121.06465	3.2
121.08415	1.1
121.10124	16.6
122.06031	1.8
122.07108	1.4
122.10453	0.8
123.04411	10.4
123.08057	2.2
123.11678	9.3
124.05180	3.1
124.08741	1.3
125.05994	1.3
125.09602	12.5
126.06662	0.9
126.10450	0.8
131.08543	1.1
139.03891	0.9
139.07477	1.3
139.11160	1.3
149.02347	1.1
149.05980	2.2
149.09613	3.0
149.13208	5.4
150.05479	0.8
150.10217	3.8
151.03899	1.8
152.04674	1.5
167.03351	2.2
167.05588	1.7
167.07014	31.7
167.10625	5.7
167.12962	1.1
167.14285	33.2
168.06343	1.0
168.07571	1.0
168.10110	1.4
168.14622	1.5
174.61368	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.143
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00300	0.6
53.03933	3.6
55.01871	3.8
55.05506	52.8
56.05011	2.5
56.05815	1.2
57.03429	4.5
57.07058	2.9
58.06579	1.9
59.04996	4.8
59.06120	3.0
60.04516	0.6
65.03928	3.1
66.04707	1.4
67.04243	0.6
67.05499	14.3
68.05026	3.2
69.03043	0.9
69.03421	15.1
69.07059	8.6
70.06581	9.4
70.59040	0.6
71.04982	3.6
71.06100	0.8
71.07354	1.2
71.08611	0.8
71.74017	0.8
72.08123	3.0
73.02876	1.2
77.03905	0.9
78.04284	1.2
78.04704	16.0
79.05026	1.5
79.05482	21.6
80.04997	1.2
80.05796	1.1
81.03417	3.1
81.04517	2.8
81.06607	1.0
81.07047	14.5
82.05322	0.9
82.06599	4.2
82.34746	0.7
83.01344	0.7
83.04973	51.2
83.06040	4.0
83.08611	24.7
84.04506	1.0
84.05275	0.7
84.08121	3.9
85.02865	1.5
85.06535	6.2
85.07644	1.9
86.08443	0.7
91.05470	9.2
93.03410	1.4
93.07033	20.6
94.04140	1.4
94.06564	2.7
95.04967	9.2
95.06071	2.0
95.08595	9.0
96.04443	1.2
96.05694	1.2
96.06857	0.9
96.08103	0.8
96.08916	0.7
97.02866	1.8
97.06525	7.3
97.07609	3.4
97.10163	5.5
98.06027	1.6
98.97562	1.2
99.08060	1.4
103.05476	1.1
105.03366	1.2
105.04498	1.2
105.07025	6.8
106.04156	5.8
107.04949	7.4
107.06039	0.9
107.08580	28.4
108.04453	2.0
108.05634	1.4
108.08914	1.3
109.02853	3.4
109.06518	7.0
109.07629	13.9
109.10138	10.4
110.06017	1.3
110.07151	2.3
110.08428	5.6
111.04413	3.8
111.08072	16.3
111.09188	6.9
112.07591	0.8
112.08866	4.7
113.09618	1.9
116.98582	0.6
119.05997	0.7
119.08588	0.8
121.01643	1.7
121.02874	7.8
121.03709	1.0
121.06514	7.8
121.07374	1.1
121.08378	1.5
121.10130	17.3
122.03626	1.5
122.06001	2.0
122.07111	4.3
122.09659	1.9
122.10476	0.8
123.04417	29.3
123.08042	3.4
123.09176	1.9
123.11685	5.8
124.03912	0.8
124.05211	10.9
124.08723	4.1
125.02349	2.6
125.05959	4.0
125.06998	1.4
125.08185	2.0
125.09653	7.7
126.05556	1.4
126.06618	2.3
126.10310	0.8
127.07377	0.9
131.08572	2.2
133.07564	0.7
134.03575	1.2
134.99655	0.7
135.04379	2.5
137.05943	1.4
137.08156	0.8
137.09645	0.6
139.02759	1.2
139.03885	1.7
139.07552	3.5
139.09465	0.8
139.11168	1.8
139.98096	0.7
140.07033	1.7
140.10680	1.0
140.11795	0.7
144.03224	2.7
144.95763	0.9
149.02347	4.5
149.05956	4.4
149.07094	1.2
149.09613	7.2
149.13211	3.4
150.05472	2.3
150.06610	1.5
150.09117	1.3
150.10228	13.2
151.03896	5.1
151.06209	1.0
152.04668	6.4
167.03416	7.3
167.07022	100.0
167.09279	2.6
167.10612	7.5
167.12903	4.6
167.14296	18.9
168.04182	0.9
168.06252	1.1
168.07643	4.0
168.10165	5.4
168.11324	1.5
173.69380	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0701
Annotation	Veratraldehyde
Peak:m/z	Relative Intensity
51.02361	0.5
52.03150	0.2
53.00290	0.3
53.03939	1.6
55.01855	0.8
55.05493	0.9
56.05017	0.4
57.03427	0.4
57.11464	0.3
59.04980	0.3
59.06098	0.8
65.03934	1.5
66.04724	1.4
67.05509	1.8
67.57695	0.2
68.05019	0.5
68.99776	0.3
69.03411	1.0
69.07051	0.9
70.02940	0.3
70.06576	0.8
71.04982	0.6
78.04704	16.4
79.05026	0.6
79.05480	6.1
80.05010	0.3
81.03409	2.4
81.07057	1.7
82.06561	0.7
83.04986	1.6
83.06099	0.6
83.08567	0.3
84.08128	0.5
85.02873	0.6
85.07666	0.5
91.05463	1.6
92.02607	0.6
92.29251	0.3
93.03383	0.8
93.07053	2.4
94.04153	0.9
94.06544	0.7
95.04967	3.8
95.06058	0.5
95.08581	0.4
96.05737	1.4
97.02901	0.4
97.06518	1.1
97.07690	0.3
98.06049	0.6
98.98466	0.3
99.04436	0.4
103.05477	0.5
104.05808	0.3
105.03402	1.5
105.04494	0.3
105.06995	0.7
106.04165	5.1
107.04969	2.5
107.06055	0.4
107.08588	2.8
108.04469	0.3
109.02864	5.4
109.06526	1.3
109.07635	1.8
110.03654	0.4
110.06016	0.3
110.07183	0.4
110.08424	0.5
111.04443	1.4
111.08056	0.9
111.09183	0.7
121.01639	0.8
121.02859	0.8
121.06503	1.6
121.08417	1.5
121.10138	2.2
122.03647	1.4
122.06149	0.4
122.07119	1.1
122.09656	0.5
123.04417	30.9
123.08078	0.6
124.05219	10.1
124.08664	0.4
125.05949	1.1
125.06936	0.3
125.08226	0.8
125.09636	0.5
126.05553	1.2
126.06435	0.3
127.03888	0.6
127.07387	0.3
134.03622	1.3
135.04402	1.5
137.02335	0.6
137.05981	1.7
137.08228	0.2
138.03088	0.7
139.02763	0.4
139.03893	0.6
139.07524	2.2
139.08563	0.4
140.03374	0.4
144.03253	0.6
144.95799	0.4
145.06465	0.3
149.02341	1.7
149.05963	0.7
149.07071	0.4
149.08298	0.3
149.09630	0.8
150.05466	0.8
150.06549	0.4
150.09161	0.5
150.10254	1.6
151.03900	5.9
152.04675	5.8
152.06084	0.6
153.05055	0.4
153.06944	0.3
165.06953	0.2
167.03409	2.5
167.07022	100.0
168.02858	0.3
168.04198	1.0
168.06279	0.6
168.07593	2.6
168.10202	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0702
Annotation	Veratraldehyde
Peak:m/z	Relative Intensity
50.96020	0.3
51.02370	0.4
53.03940	2.8
55.01853	1.2
55.05495	1.4
55.58522	0.3
56.05020	0.6
56.96550	0.7
57.03411	0.7
59.06104	0.3
61.53953	0.3
65.03926	1.3
66.04708	1.3
67.05499	3.1
68.02624	0.4
68.05022	0.5
68.99773	0.7
69.03422	1.2
69.04530	0.3
69.07055	1.6
69.98875	1.6
70.06570	0.9
71.01321	0.4
71.04963	1.1
77.03906	0.3
78.04288	0.5
78.04704	8.2
79.05486	14.3
80.05013	0.5
81.03403	3.9
81.04491	0.3
81.07047	7.2
81.07522	0.4
82.04208	0.3
82.06549	0.9
83.04986	1.7
83.06094	0.4
83.08601	0.4
84.08146	0.6
84.96022	0.8
85.02897	0.4
91.05470	2.3
93.03389	0.8
93.07034	3.6
93.53985	0.3
94.04176	1.3
94.06541	0.6
95.04388	0.6
95.04958	7.4
95.08592	0.9
96.04506	0.7
96.05189	0.4
96.05743	4.0
97.02870	0.6
97.06533	2.1
97.07622	0.5
98.06020	0.6
99.04454	0.4
100.26489	0.3
103.05428	0.3
104.07616	0.3
105.03385	0.8
105.04480	0.6
105.07007	0.8
106.04163	2.4
107.04951	3.1
107.08594	3.8
108.04465	0.6
108.05701	1.4
109.02868	10.6
109.04818	0.4
109.06507	6.7
109.07596	1.6
109.10115	0.6
110.05994	0.4
110.07211	0.9
110.08423	0.5
111.04413	1.3
111.05582	0.4
111.08065	5.8
111.09170	0.7
120.02084	0.5
121.01657	2.3
121.02876	2.0
121.06511	2.1
121.07623	0.5
121.08411	1.9
121.10119	2.7
121.99310	0.4
122.03646	0.8
122.06017	1.3
122.07118	1.4
123.04419	22.2
124.05206	20.2
124.08707	0.3
125.05981	1.3
125.07071	0.4
125.08249	0.8
125.09598	0.6
126.05556	1.5
126.06522	0.3
127.03890	0.7
131.08568	0.6
134.03586	0.5
135.04395	1.4
137.02301	0.5
137.05937	0.9
138.03065	0.3
139.02682	1.5
139.07527	38.7
140.03400	0.4
140.07909	1.6
143.96684	0.8
144.03195	2.1
149.02354	2.1
149.05946	1.2
149.09599	1.3
149.13202	0.5
150.05515	1.1
150.06589	0.4
150.09100	0.4
150.10223	1.1
151.03894	3.1
152.04666	3.3
157.29454	0.4
162.04294	0.8
163.02040	0.4
167.03479	2.1
167.07022	100.0
167.10506	2.5
168.04132	0.4
168.07579	3.2
168.10248	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0702
Annotation	Apocynin
Peak:m/z	Relative Intensity
53.03931	1.9
53.15217	0.3
55.01856	1.1
55.05512	2.3
56.05022	0.7
57.03436	1.8
57.07052	0.5
58.06577	0.4
59.06112	0.7
64.95872	0.3
65.03917	1.4
66.04712	1.6
67.05199	0.3
67.05505	3.4
68.05011	0.8
68.99789	0.5
69.03421	1.6
69.07059	2.7
70.06573	2.6
70.99373	0.7
70.99704	0.3
71.04987	1.6
72.08144	2.4
77.03915	0.4
78.04704	16.5
79.05059	0.5
79.05484	9.1
80.05035	0.5
80.73341	0.3
81.03395	1.3
81.04539	0.3
81.07046	4.0
82.06573	2.9
83.04989	2.1
83.06064	0.9
83.07346	0.6
83.08619	0.7
84.08110	1.4
84.93845	0.3
85.02876	0.5
85.06521	0.4
85.07635	0.4
91.05473	3.2
93.03387	1.0
93.07038	7.1
94.04176	0.7
94.06534	0.7
95.04964	4.6
95.06067	0.7
95.08604	3.8
96.04459	0.3
96.05717	1.4
96.08068	0.5
97.02871	0.4
97.06526	1.8
97.07626	0.6
98.06047	0.4
98.07189	0.3
103.05401	0.5
103.08884	1.3
103.67372	0.3
104.09684	0.4
105.03378	1.1
105.04490	0.6
105.07014	2.3
106.04170	5.5
107.04961	5.2
107.08585	7.9
108.08120	0.3
109.02870	2.6
109.06506	2.7
109.07608	2.2
109.10128	0.8
110.07106	0.9
110.08412	1.2
110.09660	0.4
111.04449	2.1
111.08052	1.3
111.09171	1.2
118.06517	0.9
119.08571	0.4
120.08154	0.4
121.01688	0.8
121.02835	1.5
121.06454	2.3
121.08404	0.9
121.10134	5.7
122.03623	1.1
122.06069	0.6
122.07127	1.5
122.09654	0.6
122.10439	0.5
123.04420	29.7
123.08067	2.3
123.08842	0.5
123.11681	0.4
124.05219	9.1
124.08661	0.5
125.06046	1.8
125.06800	0.3
125.08250	0.8
125.09596	1.3
126.05550	0.5
126.06561	0.5
127.07446	0.4
131.08559	0.8
134.03656	1.6
135.04427	1.5
137.02339	0.7
137.05998	1.7
138.03093	0.6
139.02679	0.4
139.07561	1.6
139.08519	0.4
139.11136	1.3
139.34624	0.3
140.06970	0.3
140.10692	0.6
143.61742	0.3
144.03273	0.8
146.09624	0.5
149.02362	2.2
149.05968	1.1
149.07039	0.3
149.09644	1.8
149.13228	0.8
150.05466	0.6
150.06657	0.4
150.09177	0.6
150.10210	2.3
151.03886	5.4
152.04666	5.6
153.06956	0.4
167.03426	2.4
167.07025	100.0
167.10663	3.0
167.11807	2.1
167.14291	1.1
167.61938	0.6
168.04091	0.7
168.07396	3.3
168.10184	1.3
176.14334	2.9
177.14684	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.1273
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.0
55.01861	6.4
55.05507	7.5
56.96553	1.3
57.03440	6.8
57.07065	1.2
65.03925	2.4
67.05499	49.2
68.05809	1.2
69.03426	5.0
69.07064	9.1
70.90094	2.0
70.90449	1.4
71.04968	2.8
77.03920	1.2
79.05486	36.6
80.05808	1.2
81.03435	1.2
81.07050	87.4
82.07376	2.7
83.04965	9.5
83.08595	2.3
84.72908	0.8
85.06512	5.0
91.05473	51.1
92.05791	1.3
92.13216	0.8
93.07035	45.4
94.07362	1.3
95.04960	12.9
95.08595	25.1
96.08890	0.9
97.06512	9.4
99.08090	1.1
101.00852	1.2
103.05464	1.5
105.07021	72.5
106.07360	2.6
107.04937	1.2
107.08587	23.0
109.06512	16.9
109.10149	13.5
110.10475	1.3
117.07018	2.1
119.01904	10.0
119.04942	11.8
119.08572	62.4
120.01987	0.9
120.05220	1.2
120.08080	2.5
120.08902	1.9
121.06541	1.0
121.10135	58.6
122.07284	6.3
122.10479	3.3
123.04386	1.5
123.08061	10.0
123.11683	9.3
124.05099	0.9
124.08669	1.0
127.07521	1.0
133.02780	1.1
136.08806	1.1
137.02951	4.7
137.05956	3.2
137.09596	21.1
137.13202	1.6
138.05464	1.0
138.10005	1.2
139.24620	0.8
142.03526	7.7
142.96680	3.5
145.10109	1.9
147.04391	21.2
147.11673	100.0
148.04753	1.8
148.12016	4.8
160.04550	3.3
165.05576	3.8
165.07739	1.7
165.09099	36.2
165.12743	82.2
166.04962	1.3
166.08586	3.1
166.09729	1.6
166.13107	3.9
166.18817	0.8
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	DL-Phenylalanine
Peak:m/z	Relative Intensity
62.22108	0.1
71.33184	0.1
71.33508	0.2
77.03909	0.3
79.05494	1.3
89.55581	0.1
91.05457	0.8
93.07033	2.9
95.04953	0.2
96.55876	0.1
103.05460	11.5
104.05777	0.2
107.04944	2.5
118.06527	0.2
120.08095	100.0
121.08433	3.0
131.04907	2.6
132.05292	0.2
149.06001	0.6
166.08640	1.1
169.57170	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	166.0862
Annotation	Phenylalanine
Peak:m/z	Relative Intensity
51.02367	0.1
53.03926	0.1
54.10383	0.1
55.01851	0.2
55.05481	0.1
56.96570	0.2
57.03440	0.5
65.03938	0.2
67.05494	0.5
68.05006	0.1
68.99780	0.1
69.03429	0.1
69.07041	0.2
69.82443	0.1
70.06567	0.2
71.74229	0.1
71.74671	0.2
72.08144	0.1
75.88723	0.1
77.03905	0.3
78.04684	1.0
79.05484	1.8
80.05021	0.2
80.05817	0.2
81.03403	0.1
81.07053	0.4
82.07373	0.2
83.04953	0.2
83.93029	0.2
91.05465	1.2
92.05798	0.2
93.07037	3.1
94.04154	0.1
94.07375	0.1
95.04971	0.8
95.08583	0.3
96.08932	0.1
97.07589	0.1
98.09647	0.1
103.05460	10.7
104.05783	0.3
105.04514	0.1
105.07003	0.2
106.04175	0.5
106.07359	0.2
107.04942	2.2
107.08600	0.4
109.06490	0.2
109.10222	0.1
110.10435	0.1
111.04413	0.2
111.08057	0.2
118.06539	0.3
120.08094	100.0
121.06495	0.3
121.07622	0.3
121.08429	3.0
121.10130	0.5
122.07173	0.1
123.04424	1.6
123.08062	0.4
124.05198	0.5
124.07592	0.1
124.08728	0.2
125.09606	0.3
131.04916	2.4
136.07585	0.1
138.03070	0.1
138.05450	0.2
138.09099	0.3
138.10052	0.2
142.96660	0.7
143.03564	0.2
144.53606	0.1
148.04762	0.3
148.07542	0.1
148.12035	0.3
149.02286	0.2
149.05975	0.7
151.03915	0.5
152.04649	0.5
165.06981	0.1
166.04906	0.5
166.08475	1.9
166.09827	0.2
166.13232	0.2
167.03413	0.2
167.07031	6.9
167.10684	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0702
Annotation	Apocynin
Peak:m/z	Relative Intensity
51.02366	0.6
52.03153	0.4
53.00285	0.3
53.03933	1.5
55.01857	1.0
55.05497	1.2
56.05020	0.4
56.96558	0.3
65.03922	1.0
66.04716	1.2
67.01829	0.3
67.05497	1.6
68.05026	0.3
68.99794	0.5
69.03415	0.7
69.07047	0.8
70.06586	0.6
71.04973	0.6
71.29491	0.5
78.04705	17.0
79.05035	0.6
79.05486	7.7
80.04989	0.6
80.14960	0.3
81.03407	2.1
81.04523	0.4
81.07058	2.4
82.06559	0.7
83.04967	1.2
83.06067	0.5
84.08147	0.4
84.93003	0.2
84.96027	0.5
85.02897	0.6
91.05473	2.3
93.03398	1.0
93.04515	0.2
93.07039	3.4
94.04171	1.2
94.06565	0.6
95.04964	4.1
95.06101	0.3
95.08567	0.6
96.05756	1.3
97.02895	0.7
97.06497	0.9
97.07667	0.4
98.06041	0.5
98.09675	0.3
99.04424	0.3
105.03394	1.4
105.04475	0.3
105.07020	0.3
106.04162	5.8
107.04945	4.1
107.08598	3.0
108.04469	0.5
108.05721	0.3
109.02868	4.3
109.06494	1.5
109.07601	1.5
110.03624	0.3
110.08402	0.6
111.04458	1.4
111.08070	1.2
111.09182	0.4
115.20193	0.3
120.02007	0.4
120.08099	0.3
121.01668	1.2
121.02863	1.2
121.06520	1.6
121.07620	0.4
121.08437	1.6
121.10127	2.6
122.03629	1.4
122.06007	0.8
122.07124	1.0
123.04419	30.9
123.08056	0.7
124.05227	10.6
124.08701	0.5
125.06078	1.3
125.06962	0.3
125.08237	0.6
126.05489	0.7
126.06527	0.3
131.08524	0.4
134.03645	1.3
135.04382	1.6
137.02332	0.6
137.05966	1.0
138.03139	0.6
139.02696	0.8
139.03914	0.6
139.07513	2.9
140.07045	0.6
140.10674	0.4
143.96759	0.3
144.03220	0.7
149.02325	1.6
149.05986	1.0
149.08295	0.2
149.09628	0.8
150.05470	0.8
150.06560	0.4
150.09129	0.4
150.10237	0.9
151.03899	5.2
152.04684	5.2
162.04303	0.4
163.01918	0.3
167.03410	2.3
167.07024	100.0
167.10559	1.7
168.04182	0.6
168.07558	2.5
168.10220	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.1273
Annotation	exo-Norbicycloekasantalal
Peak:m/z	Relative Intensity
53.03936	2.2
55.01860	4.1
55.05264	1.0
55.05508	8.9
56.96553	1.4
57.03439	6.1
57.07070	2.2
60.33114	0.6
62.87083	0.6
65.03943	2.4
67.05497	48.0
68.05831	1.4
69.03426	6.0
69.07058	8.8
70.06593	1.0
70.90121	1.4
70.90501	1.3
71.04987	3.1
77.03946	0.8
78.52950	0.6
79.05486	40.9
80.05841	1.0
81.03416	1.2
81.07048	84.6
82.07375	2.1
83.04971	10.0
83.08603	0.9
85.06533	5.4
91.05473	50.9
92.05792	1.2
93.07034	42.0
94.07364	1.9
95.04948	10.7
95.08598	25.5
97.06524	10.1
99.08088	1.7
101.00851	0.9
103.05479	1.4
105.07019	78.7
106.07359	2.4
107.04964	1.6
107.08584	25.7
108.29113	0.6
109.06507	17.2
109.10139	11.5
117.06966	3.0
119.01902	6.4
119.04943	9.4
119.08569	63.4
120.08070	2.3
120.08909	2.7
121.06571	1.1
121.10134	63.8
122.07270	6.0
122.10468	2.3
123.08060	10.8
123.10875	0.8
123.11697	10.6
127.07523	1.1
130.37907	0.6
133.02890	0.7
137.02931	1.6
137.05977	1.7
137.09602	21.0
137.13225	2.8
138.10146	0.6
142.03476	3.2
142.96658	1.6
143.05389	2.3
145.10086	2.2
147.04393	14.0
147.05444	0.6
147.11670	100.0
148.04761	1.0
148.11980	5.5
160.04575	1.0
165.04251	0.7
165.05405	2.1
165.07858	1.2
165.09099	34.6
165.12737	84.9
165.92819	0.6
166.08421	1.2
166.09641	1.4
166.13165	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.1274
Annotation	exo-Norbicycloekasantalal
Peak:m/z	Relative Intensity
53.03930	1.9
55.01862	2.7
55.05261	0.8
55.05500	7.4
56.96561	0.5
57.03426	3.6
57.07069	0.7
65.03920	2.3
67.05494	45.1
68.05010	0.6
68.05833	1.1
69.03423	4.5
69.07060	4.6
70.06569	0.6
70.68694	2.1
71.04980	1.4
75.93900	0.6
77.03892	0.6
79.05484	24.1
81.03424	1.5
81.07044	55.5
82.06568	0.5
82.07368	1.4
83.04973	9.6
83.08577	0.6
83.93017	0.9
85.06541	2.8
91.05468	31.7
92.05808	1.3
93.07030	26.3
94.07337	0.9
94.07864	0.7
95.04956	8.2
95.08004	1.0
95.08597	18.2
97.06516	5.6
97.75379	0.6
99.08069	1.0
103.05460	2.0
105.07016	41.2
106.07317	0.9
106.41073	0.5
107.04910	3.1
107.08577	16.8
108.08894	0.7
109.06502	10.8
109.10143	25.2
110.07236	0.8
110.10492	1.1
117.07011	3.0
119.01920	7.1
119.04931	9.9
119.08566	50.7
120.08073	3.0
120.08908	2.3
121.06496	1.4
121.10126	34.9
122.03638	0.5
122.07264	14.0
122.10455	1.7
123.04430	1.0
123.08099	7.3
123.11683	5.5
124.08737	0.6
133.02817	2.2
135.08011	0.6
137.02933	1.8
137.06027	3.4
137.09595	54.0
137.13214	1.1
138.09930	2.3
142.03456	3.3
142.96677	1.1
145.10107	1.2
147.04395	16.4
147.08012	2.0
147.11665	52.8
148.04706	1.1
148.12019	2.7
160.04524	1.8
165.01830	0.9
165.05542	3.1
165.09096	100.0
165.12730	47.7
166.04924	1.3
166.09641	3.7
166.13084	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.1274
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	0.8
53.03943	2.1
55.01873	4.5
55.05505	7.6
56.96562	2.0
57.03429	5.8
57.07078	1.1
65.03939	2.5
67.05499	49.8
68.05833	1.2
69.03432	4.2
69.07063	9.2
69.58376	3.7
69.58791	1.3
70.06602	0.8
71.04992	2.4
77.03934	1.3
79.05487	37.5
80.05800	0.7
80.74496	0.5
81.03405	1.8
81.07048	82.5
82.07385	1.8
83.04973	10.7
83.08623	2.0
83.93027	1.0
85.06538	5.5
91.05472	50.1
92.05814	1.7
93.07038	41.0
95.04960	15.0
95.08599	26.0
96.08883	0.7
97.06521	11.0
99.08083	1.6
101.00871	1.4
101.94038	0.6
103.05466	1.4
104.06229	0.8
105.07021	75.8
106.07307	3.2
107.04975	1.9
107.08584	25.9
108.08940	0.7
109.06512	15.6
109.10147	13.8
117.07048	2.7
119.01918	8.8
119.04939	10.1
119.08573	64.6
120.08081	2.9
120.08930	2.6
121.10135	60.0
122.07270	6.9
122.10470	2.0
123.04440	1.0
123.08068	10.9
123.11705	9.1
124.07647	0.6
124.08537	0.7
130.06511	0.8
131.08571	0.6
133.02885	1.3
134.04904	0.9
136.08852	0.7
137.02963	4.1
137.05971	3.8
137.08026	0.9
137.09604	24.2
137.13235	2.4
138.09056	0.8
138.09999	1.5
142.03491	5.9
142.96687	3.8
143.05397	2.9
145.10098	1.7
145.55598	0.6
147.04396	18.2
147.11674	100.0
148.04778	0.9
148.11978	5.6
152.05901	0.7
154.56137	0.8
160.04549	2.4
163.69696	0.6
165.01781	1.2
165.04276	1.0
165.05663	3.6
165.09100	40.8
165.12741	86.4
166.04964	2.2
166.08556	1.9
166.09668	1.5
166.13109	4.9
172.97195	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.1275
Annotation	exo-Norbicycloekasantalal
Peak:m/z	Relative Intensity
53.03931	3.2
55.01855	4.3
55.05509	11.4
56.05020	1.9
57.03443	5.9
57.07067	1.6
58.06604	1.2
59.06091	1.3
65.03922	3.9
67.05502	46.6
67.18897	0.9
68.05013	1.6
68.90701	1.0
69.03429	10.6
69.07065	10.7
70.06577	3.4
71.04972	4.0
71.24828	1.6
71.25204	2.3
72.06374	1.0
77.03922	1.3
79.05489	42.9
80.04992	3.1
80.05775	1.2
81.03409	5.3
81.04533	1.4
81.07053	93.8
82.06571	2.4
82.07339	2.6
83.04977	13.2
83.06088	3.4
83.08595	3.0
83.93040	1.5
85.02884	1.1
85.06511	3.8
91.05477	62.8
92.05773	2.2
93.07043	50.3
94.07355	1.6
95.04964	31.3
95.06066	1.6
95.08003	2.2
95.08600	37.9
97.06539	9.6
97.07667	1.3
99.08073	1.5
101.00845	2.3
103.05462	4.1
104.01607	1.0
105.03389	2.3
105.07027	95.5
106.07344	2.8
107.04951	3.2
107.06061	2.5
107.08591	37.5
108.08907	1.6
109.06516	30.8
109.07629	1.6
109.10146	16.5
110.06031	1.4
110.07203	1.3
111.09211	1.2
111.73767	1.1
117.06966	1.6
119.01928	20.6
119.04939	31.7
119.08574	64.7
120.02010	1.3
120.05328	1.7
120.08140	8.5
120.08897	2.3
121.06490	2.9
121.10141	66.0
122.03661	1.6
122.07253	8.2
122.10448	2.8
123.04454	3.7
123.08069	14.9
123.11703	20.7
124.03990	1.9
124.08669	3.2
125.05959	1.6
125.09488	1.9
133.02847	9.0
134.03137	1.2
136.07588	1.1
137.03012	8.8
137.05974	11.7
137.09616	22.8
137.13228	4.2
138.05467	2.2
138.09082	1.2
138.10106	1.5
142.03506	13.4
142.96689	4.6
145.10121	3.4
147.04405	52.7
147.05591	2.5
147.08055	3.9
147.11681	100.0
148.04726	3.3
148.07538	1.5
148.08679	3.9
148.12085	5.0
160.04547	5.3
165.01768	2.4
165.05547	13.9
165.06828	2.9
165.07744	2.6
165.09097	35.2
165.11438	4.5
165.12744	86.0
166.04967	3.2
166.08472	6.2
166.09840	1.5
166.13089	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	165.1274
Annotation	exo-Norbicycloekasantalal
Peak:m/z	Relative Intensity
52.15352	0.7
53.03932	2.2
55.01860	3.4
55.05509	9.4
57.03436	6.0
57.07069	1.8
65.03929	3.0
67.05502	45.6
68.05836	0.8
68.76186	0.8
69.03422	5.7
69.07063	8.6
71.04986	2.5
71.10351	2.5
72.50886	0.6
73.67991	0.8
74.41910	0.8
79.05489	39.7
80.05827	1.0
81.02983	1.3
81.03412	10.2
81.07050	71.2
82.07364	2.2
83.04979	11.6
83.06045	0.8
83.08609	1.9
85.06533	5.3
91.05474	46.4
92.05802	1.8
93.07040	36.6
94.07368	1.4
95.04390	1.5
95.04959	18.8
95.08601	26.0
96.08872	1.0
97.06524	13.1
99.08089	3.6
103.05437	1.5
105.07022	58.9
106.07322	1.9
107.07906	1.5
107.08585	20.3
109.06510	16.1
109.10152	5.3
117.07023	1.8
119.01939	5.6
119.04941	18.7
119.08572	50.0
120.08087	2.4
120.08879	1.4
121.06530	0.9
121.10134	44.1
122.07220	1.1
122.10443	1.8
123.04404	1.8
123.08055	12.7
123.11697	6.4
137.02953	2.1
137.06017	3.8
137.09630	4.5
137.13281	0.9
138.05457	0.9
142.03488	3.2
142.96718	2.2
145.10136	1.7
147.04393	34.0
147.07986	1.7
147.11676	61.5
148.04732	2.1
148.12057	2.6
160.04587	1.3
165.05576	5.5
165.06721	1.2
165.09100	6.6
165.12744	100.0
166.04980	2.3
166.08630	3.5
166.09856	1.3
166.13123	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	165.1273
Annotation	p-tert-Amylphenol
Peak:m/z	Relative Intensity
52.10662	0.5
53.03932	1.7
55.01853	1.3
55.05503	5.3
57.03442	2.3
65.03918	1.7
67.05498	22.3
69.03417	1.9
69.07059	5.1
71.01312	0.5
71.04977	1.0
71.08622	1.1
71.72457	0.8
71.72850	0.5
74.07133	0.5
79.05482	13.9
80.05013	0.7
80.05817	0.6
81.03410	11.9
81.07049	30.7
82.07365	1.0
83.04977	7.3
83.08597	1.5
83.93005	1.1
85.06542	1.0
89.96956	0.4
91.05470	22.4
92.05810	0.9
93.07043	8.8
94.04175	2.9
95.04960	19.1
95.08595	14.0
96.05273	0.8
97.06525	5.2
99.04430	0.5
99.08114	2.5
101.00883	1.3
101.02482	0.5
102.02212	0.5
103.05466	0.6
105.06329	1.0
105.07022	14.4
106.07354	0.8
107.04926	1.3
107.08576	6.2
109.06505	8.5
109.10154	3.6
111.08092	0.6
117.06985	0.6
119.01907	9.4
119.04924	15.7
119.08572	12.6
119.95039	0.5
120.01994	0.6
120.05276	1.0
120.08135	2.7
120.08862	0.6
121.06489	0.7
121.10130	6.2
122.10438	0.6
123.04411	1.4
123.08056	7.1
123.11691	1.4
133.02835	0.9
136.07559	0.6
137.03004	4.8
137.05937	2.3
137.09616	1.7
138.05528	0.9
138.09145	1.0
138.10216	0.6
142.03479	5.7
142.96677	3.5
143.03677	0.4
147.04398	25.0
147.08009	1.3
147.11664	14.3
148.04771	1.7
148.07533	0.7
148.11966	0.8
160.04561	2.0
165.01810	0.9
165.05563	4.3
165.09070	4.0
165.12740	100.0
166.04984	1.7
166.08565	3.3
166.09834	0.7
166.13133	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	165.1273
Annotation	exo-Norbicycloekasantalal
Peak:m/z	Relative Intensity
53.03936	5.1
55.01867	5.3
55.05501	10.6
56.02349	1.0
57.03429	9.4
57.07037	2.4
65.03926	4.2
67.05135	2.2
67.05498	44.2
68.05804	1.3
69.03431	8.2
69.07059	11.7
70.06611	1.1
71.04965	4.4
71.22200	2.5
77.03886	1.5
79.05486	42.2
80.05820	1.3
81.03404	5.2
81.07048	100.0
82.07391	2.6
83.04982	9.2
83.08590	2.6
83.93027	3.7
85.06538	6.9
91.05473	66.0
92.05806	4.1
93.07034	40.8
95.04961	24.9
95.06064	1.7
95.08595	28.0
96.04438	1.7
96.05286	1.7
96.08923	1.1
97.02890	1.7
97.06529	10.9
99.08094	1.5
101.00875	5.4
103.05432	2.2
105.04492	1.3
105.07018	69.3
106.07349	3.4
107.04987	1.9
107.08585	26.1
109.06503	22.6
109.10145	7.7
115.96442	1.1
117.07017	2.0
119.01910	45.6
119.04928	45.1
119.08566	55.2
120.02016	4.0
120.05233	1.5
120.08089	7.0
120.08855	2.6
121.06474	1.2
121.10130	50.2
122.05969	1.5
122.07253	1.9
122.10437	2.2
123.04421	5.2
123.08052	11.9
123.11689	8.0
124.02380	1.3
124.03883	1.1
130.75807	1.0
133.02824	2.3
136.07629	1.1
137.02963	20.2
137.05948	9.0
137.09607	10.6
137.13217	2.4
138.03090	1.3
138.05495	2.7
138.09126	2.8
142.03485	31.1
142.96693	14.5
143.03635	2.5
145.10074	1.7
147.04398	82.5
147.08041	1.9
147.11671	83.7
148.04745	5.0
148.12016	4.4
160.04535	13.1
165.01817	3.0
165.05525	15.8
165.07620	3.4
165.09102	12.1
165.12741	92.2
165.98297	2.3
166.04823	5.3
166.08617	7.9
166.09799	1.8
166.13055	4.3
181.56686	1.2
183.05975	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0909
Annotation	gamma-Thujaplicin
Peak:m/z	Relative Intensity
50.86592	0.4
51.65558	0.4
53.03933	1.2
55.01859	1.0
55.05504	3.3
57.80837	0.4
64.48161	0.4
65.03934	1.0
67.05497	20.5
69.03430	0.6
69.07059	1.1
70.87985	1.5
79.05489	3.3
81.03395	1.0
81.07049	9.2
82.07333	0.4
83.04979	3.9
83.93037	0.4
91.05465	10.5
93.07022	2.6
95.04958	4.3
95.08607	3.7
101.00892	0.8
103.05470	1.1
105.07033	2.6
107.04947	3.2
107.06071	0.5
107.08575	2.9
109.06516	3.0
109.10150	19.9
110.10439	0.6
111.75203	0.4
117.06969	0.9
119.01907	6.6
119.04926	7.5
119.08572	16.0
120.08063	1.3
120.08872	0.8
121.06487	1.3
121.10122	1.3
122.07273	15.3
123.04402	0.9
123.08036	1.5
133.02826	1.0
135.03264	0.5
135.08005	0.7
137.02942	2.6
137.06044	2.1
137.09601	50.1
138.09964	1.4
142.03474	3.3
142.96654	1.4
147.04398	13.8
147.08047	1.6
147.11653	1.8
148.04756	0.5
160.04530	1.2
165.04395	1.6
165.05412	2.1
165.09097	100.0
165.12718	3.2
166.04880	0.6
166.09564	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	165.0908
Annotation	gamma-Thujaplicin
Peak:m/z	Relative Intensity
53.03949	0.4
55.05497	2.5
56.05033	0.3
57.38764	0.2
65.03926	0.9
67.05494	16.9
69.03414	0.5
69.07043	0.9
69.71127	2.1
79.05474	1.4
79.82504	0.2
80.05022	0.3
81.04504	0.4
81.07045	6.7
82.07395	0.3
83.02473	0.4
83.04972	3.2
83.06080	0.5
88.87106	0.2
91.04922	0.6
91.05465	7.5
93.07030	1.5
94.07813	0.4
95.04940	1.9
95.08610	2.1
98.01540	0.3
98.07115	0.3
103.05448	0.9
105.07002	0.9
107.04957	2.6
107.06042	0.5
107.08565	1.0
108.91700	0.2
109.02876	0.3
109.06500	1.6
109.10139	16.9
110.09726	0.3
110.10450	0.6
112.53481	0.3
117.07000	1.0
119.01912	0.7
119.04932	4.7
119.08565	12.6
120.05209	0.3
120.08879	0.5
121.06467	1.0
122.07267	12.3
123.06683	0.3
123.08015	1.4
124.08696	1.8
135.08086	0.6
137.02902	0.3
137.05984	0.8
137.09596	40.9
138.09906	1.7
142.03477	0.7
142.96606	0.3
144.68382	0.3
147.04388	6.7
147.08023	0.7
147.11664	0.4
148.08600	0.5
165.09091	100.0
166.07314	0.3
166.09528	4.3
168.86987	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0909
Annotation	gamma-Thujaplicin
Peak:m/z	Relative Intensity
53.03939	0.8
55.01868	0.6
55.05501	2.9
56.53579	0.4
65.03929	0.9
67.05496	21.1
69.03402	0.7
69.07051	0.8
69.57464	1.6
69.57905	1.3
79.05494	2.5
81.03396	0.4
81.07047	8.3
83.04965	4.7
91.04918	0.7
91.05464	8.9
92.05814	0.5
93.07048	2.3
95.04951	3.0
95.08600	3.0
98.06149	0.3
101.00851	0.6
103.05441	0.6
105.07037	1.6
107.04929	3.4
107.08582	2.1
109.06528	2.0
109.10144	20.6
110.10482	0.5
114.02193	0.3
117.07012	1.3
119.01904	3.4
119.04921	4.7
119.08564	16.7
120.08083	0.8
120.08891	0.4
121.06496	1.5
121.10134	0.6
122.07270	13.8
123.08065	1.2
123.08946	0.3
135.08029	0.5
137.02933	1.3
137.05981	1.7
137.09596	49.6
138.09973	1.4
140.93822	0.3
142.03532	1.9
142.04543	0.3
142.96693	0.8
147.04395	9.1
147.08029	0.5
147.11688	0.9
160.04538	0.8
165.05411	1.8
165.09094	100.0
165.12692	1.8
166.09598	2.9
170.61186	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.091
Annotation	gamma-Thujaplicin
Peak:m/z	Relative Intensity
53.03940	1.4
55.01861	0.9
55.05506	4.0
56.05025	0.5
56.96581	0.4
57.03445	1.1
59.05009	0.5
61.55519	0.3
65.03932	1.4
67.05499	26.5
68.05015	0.8
68.05819	0.7
69.03427	1.3
69.07059	1.9
69.46560	3.1
69.46966	0.5
70.06597	1.1
71.04977	0.7
76.86010	0.4
77.03902	0.5
77.07513	0.4
79.05479	6.0
80.04998	0.6
81.03396	1.8
81.04493	0.4
81.07051	14.9
82.06577	0.4
83.04977	4.9
83.06101	0.7
83.93033	0.4
85.06526	0.7
91.05473	17.9
92.05801	0.5
93.07037	6.6
93.86764	0.3
94.07821	0.6
95.04397	0.6
95.04966	8.1
95.08591	6.6
97.06497	1.0
101.00882	1.3
103.05463	1.1
104.06236	0.5
105.03410	0.5
105.07026	8.9
107.04947	3.3
107.06063	0.9
107.08585	4.8
108.08914	0.4
109.06512	5.0
109.07632	0.5
109.10149	22.5
110.10429	0.6
117.07000	1.4
119.01916	6.5
119.04932	8.6
119.08571	24.2
120.01993	0.4
120.05511	0.3
120.08080	1.4
120.08894	0.8
121.06493	1.4
121.10144	4.9
122.03651	0.4
122.07269	14.9
123.04454	1.0
123.08082	3.0
123.11702	2.1
124.08691	1.5
124.28156	0.3
129.07030	0.5
133.02834	3.1
134.82782	0.4
135.08064	0.7
137.03000	2.6
137.05974	4.4
137.09604	50.4
138.09933	1.9
142.03502	4.5
142.96674	1.6
147.04402	16.4
147.08014	2.6
147.11668	6.2
148.04814	0.8
148.08672	1.2
160.04526	1.4
165.01811	0.9
165.05574	4.0
165.09102	100.0
165.12733	9.5
166.04932	0.8
166.09627	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	165.0546
Annotation	4-Coumaric acid
Peak:m/z	Relative Intensity
51.02392	0.1
55.01871	0.2
55.05502	0.3
56.05030	0.5
57.04549	0.2
64.69957	0.1
65.03929	1.4
65.92632	0.1
67.05502	0.9
68.05016	0.6
69.03423	0.3
70.06585	0.4
70.66511	0.3
70.66869	0.4
79.05480	0.6
80.05013	0.3
80.94981	0.3
81.03431	0.2
81.04533	0.4
81.07060	0.7
82.06576	0.4
83.04978	0.1
83.06116	0.7
85.07652	0.3
91.05473	26.8
92.05804	0.6
93.07036	0.4
94.04173	0.2
95.04958	2.5
95.06062	0.3
95.08596	0.4
97.02850	0.1
97.07678	0.2
98.07153	0.3
101.00854	0.7
103.05453	0.5
105.03341	0.1
105.04516	0.3
105.07063	0.8
107.04964	0.3
107.06072	0.4
108.04438	0.1
109.06519	0.5
109.07633	0.4
109.10144	0.5
111.04382	0.1
111.09151	0.2
119.01934	4.2
119.04932	53.6
119.08524	0.9
120.02032	0.2
120.05223	1.4
120.08096	2.0
121.06521	0.2
121.07619	0.3
121.10107	0.2
122.07146	0.4
123.04420	3.4
123.08037	0.5
124.08697	0.6
125.09512	0.7
133.02834	0.3
136.08702	0.1
137.02977	1.4
137.05981	1.2
137.07013	0.2
137.09593	0.4
138.05472	0.3
138.10216	0.3
142.03493	2.5
142.96669	0.3
147.04396	100.0
148.04742	3.0
148.07587	0.2
148.08682	0.6
160.04587	0.7
165.01808	0.2
165.05486	2.0
165.07840	0.1
165.09084	0.7
165.11345	1.1
165.12770	0.4
166.05019	0.3
166.08640	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0909
Annotation	beta-Thujaplicin
Peak:m/z	Relative Intensity
53.03929	1.4
54.03460	3.9
55.05499	5.5
56.05029	13.3
56.92465	0.7
57.03396	0.6
57.04532	1.4
58.06586	3.7
59.06098	2.9
59.86165	0.7
65.03922	1.5
66.03443	1.6
66.44309	0.7
67.02972	1.5
67.05497	21.7
68.05021	11.0
68.05806	1.0
69.04536	3.5
69.07037	1.7
70.06586	6.7
71.06103	2.4
71.45364	1.5
77.03894	1.0
79.05464	3.5
80.05017	5.4
81.04523	16.9
81.07037	9.1
82.05311	1.4
82.06562	7.4
83.02426	3.7
83.04956	3.3
83.06092	26.7
84.04468	1.0
84.05627	1.7
84.06871	3.8
84.08118	1.5
85.07646	6.8
91.05467	10.9
93.07025	3.3
94.06526	1.4
95.04965	4.4
95.06068	7.1
95.08578	2.8
96.04493	1.1
96.05584	2.2
96.06856	0.8
96.08117	1.7
97.06396	1.8
97.07636	13.9
98.07155	11.3
99.09167	1.2
105.04507	1.2
105.07007	1.4
106.05254	0.8
107.04919	2.4
107.06054	12.2
107.08569	1.7
108.05570	1.4
108.06847	1.6
109.06480	1.9
109.07635	5.9
109.10133	20.7
110.07149	7.3
110.08389	1.5
111.05521	0.9
111.07975	7.4
111.09182	5.0
112.08708	2.8
117.07042	0.9
119.01868	1.2
119.04939	7.1
119.08561	18.3
120.05578	1.3
121.06493	2.4
121.07616	6.4
122.03575	0.8
122.07203	31.1
123.06656	4.2
123.07996	7.7
123.09151	9.4
124.05056	3.0
124.08697	36.9
125.05978	0.7
125.07092	2.4
125.08168	1.0
125.09492	12.0
131.06003	0.9
135.08049	0.9
136.08681	2.7
137.06026	1.2
137.09590	50.4
137.70267	0.7
138.06595	3.3
138.10223	9.8
139.09683	0.7
147.04387	11.0
147.07993	1.5
147.11656	1.1
148.04948	1.2
148.08655	16.3
149.07040	1.0
149.08162	1.4
165.05464	2.0
165.07739	6.5
165.09093	100.0
165.11279	44.7
165.12585	1.7
166.09677	4.8
166.13402	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0546
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00324	0.3
53.03951	0.6
55.01871	0.6
55.05540	0.3
56.05021	0.9
56.96557	0.3
58.06580	0.4
59.06126	0.4
63.10466	0.3
65.03929	1.7
67.05499	2.3
68.05011	1.9
69.03431	0.5
70.06594	1.6
71.14048	0.6
79.05473	1.4
80.05002	0.8
80.94946	0.5
81.03413	0.8
81.04533	1.2
81.07047	1.9
82.05299	0.3
82.06574	0.7
83.04967	0.3
83.06097	2.3
84.08141	0.6
85.07640	0.7
87.14773	0.2
91.05471	25.6
92.05792	0.6
93.07025	1.2
94.06600	0.3
95.04962	3.2
95.06092	0.6
95.08589	0.4
96.04462	0.3
97.02817	0.3
97.06411	0.3
97.07641	1.0
98.07166	0.8
101.00869	1.2
103.05463	3.9
105.03391	0.4
105.07032	1.1
107.04936	1.2
107.06068	1.1
107.08601	0.3
108.04451	0.8
109.06522	1.6
109.07616	0.9
109.10139	1.3
110.07162	0.9
119.01923	11.8
119.04930	51.3
119.08585	1.6
120.02066	0.5
120.05240	1.4
120.08092	29.2
121.02911	0.3
121.07619	1.0
122.07150	1.2
123.04422	3.6
123.05315	0.4
123.08042	0.9
124.08746	1.6
125.05962	0.3
125.09515	0.9
131.04900	0.4
133.02794	1.3
137.02963	4.2
137.05949	3.9
137.09578	1.5
138.05470	0.7
138.06465	0.4
138.10242	0.8
142.03493	6.4
142.96693	0.7
147.04393	100.0
147.11696	0.6
148.04758	3.1
148.08655	2.0
149.05949	0.3
151.07562	0.2
160.04533	2.5
165.01822	1.0
165.05473	5.0
165.06667	0.2
165.07722	0.6
165.09085	1.7
165.11386	3.1
165.12691	0.5
166.05022	0.9
166.08640	1.2
166.09888	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0545
Annotation	4-Coumaric acid
Peak:m/z	Relative Intensity
51.02371	0.3
53.00305	0.3
53.03941	0.5
55.01856	0.5
55.05518	0.4
56.05023	0.7
56.99035	0.2
58.06587	0.4
58.90868	0.2
59.45213	0.2
63.02350	0.3
64.01679	0.2
65.03923	1.6
65.92616	0.3
67.05492	1.2
68.05015	1.0
69.03412	0.5
70.06585	0.8
71.32549	0.3
71.32912	0.5
77.03908	0.4
79.05470	1.2
80.04999	0.3
80.94942	0.3
81.03419	0.5
81.04543	0.6
81.07059	1.2
82.06555	0.6
83.06115	1.1
85.07655	0.7
86.96462	0.2
91.05468	26.5
92.05788	0.5
93.07059	0.6
94.06544	0.3
95.04960	4.8
95.06076	0.4
95.08583	0.7
97.07616	0.6
98.07174	0.5
98.20773	0.3
101.00867	1.3
102.81636	0.2
103.05463	0.7
105.03392	0.4
105.04518	0.5
105.07016	0.9
107.04945	0.4
107.06081	0.6
109.06535	0.9
109.10147	1.0
111.09161	0.2
119.01917	9.3
119.04927	54.9
119.08567	1.0
120.02008	0.3
120.04514	0.2
120.05298	1.0
120.08092	3.2
121.06473	0.4
121.07620	0.4
121.97626	0.4
122.07166	0.9
123.04418	8.9
123.06625	0.3
123.08041	0.9
124.02389	0.4
124.08701	0.7
125.09475	0.8
133.02849	0.7
136.08679	0.3
137.02986	3.5
137.05940	1.8
137.07971	0.3
137.09601	0.8
138.05458	0.4
138.10204	0.2
142.03491	5.6
142.94954	0.3
142.96701	0.4
143.03566	0.3
147.04390	100.0
148.04742	3.3
148.08667	1.0
156.02351	0.2
160.04520	2.4
160.95966	0.2
165.01761	0.5
165.05507	2.6
165.09114	1.3
165.11359	1.4
165.12762	0.6
166.04924	0.4
166.08601	0.6
180.93796	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0546
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35449	0.3
53.03935	1.2
54.03471	1.0
55.01863	1.3
55.05490	1.2
56.05027	2.8
56.96555	1.0
57.03434	0.4
57.04554	0.4
58.06588	1.4
59.06123	0.7
65.03931	3.6
65.92626	0.5
67.01855	0.4
67.05497	4.6
68.05018	4.6
68.99783	0.4
69.03421	1.4
69.04535	0.8
69.07047	0.5
70.06591	3.7
71.01342	0.5
71.02411	0.9
71.02734	0.5
71.06099	0.6
77.03922	0.3
79.05484	4.0
80.05005	2.4
80.94951	0.8
81.03405	1.9
81.04544	3.3
81.05348	0.4
81.05786	0.6
81.07044	5.1
82.05302	0.5
82.06556	2.1
83.06100	6.1
83.85075	0.4
84.08106	0.6
85.07664	2.6
87.05614	0.4
91.05468	35.7
92.04999	0.4
92.05809	1.1
93.04507	0.7
93.07043	2.5
94.02917	0.6
94.04151	0.5
94.06578	1.0
95.01315	1.0
95.04387	0.7
95.04960	7.0
95.06081	2.6
95.08597	2.6
96.04496	0.5
96.06848	0.4
97.02855	0.6
97.04013	0.4
97.06425	0.5
97.07643	3.0
98.07171	2.1
101.00830	1.8
103.05474	3.0
105.03373	1.1
105.04516	0.6
105.07050	2.4
106.89321	0.4
107.04957	2.1
107.06053	2.5
107.08581	1.0
108.04467	1.4
108.05608	0.5
108.06835	0.7
109.02861	1.3
109.06516	4.3
109.07619	4.2
109.10135	3.4
110.06012	0.7
110.07146	1.6
111.09178	1.1
117.07010	0.6
118.06461	0.4
119.01914	18.7
119.04929	55.0
119.08564	5.6
120.05217	2.4
120.08093	18.0
121.02922	0.4
121.06443	0.3
121.07619	3.3
121.10141	1.1
121.97600	0.5
122.03633	0.9
122.05963	0.5
122.07140	3.1
123.04434	5.5
123.05430	0.6
123.08027	2.0
123.11695	0.5
124.03927	0.6
124.08710	3.9
125.05947	0.5
125.09509	3.0
131.04936	0.5
133.02808	2.9
133.06386	0.7
136.07648	0.4
136.08731	1.2
137.02063	0.6
137.02975	9.6
137.05965	11.4
137.06990	0.6
137.09586	3.3
138.02997	0.4
138.05495	1.7
138.06458	0.4
138.09206	0.7
138.10233	2.5
142.03481	12.6
142.96684	2.3
143.03638	0.5
147.04390	100.0
147.07988	2.1
147.11649	1.8
148.04767	5.0
148.08670	4.3
149.07098	0.4
153.35034	0.4
156.63071	0.4
160.04524	4.5
160.95915	0.8
165.01849	2.7
165.05487	11.0
165.06726	0.7
165.07672	1.1
165.09076	4.8
165.11369	7.4
165.12721	1.8
166.04893	2.1
166.08611	2.3
166.09773	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0544
Annotation	3-(3,4-dihydroxyphenyl)prop-2-enal
Peak:m/z	Relative Intensity
51.02364	0.5
51.25436	0.5
53.03941	4.1
54.03453	0.8
55.01867	4.1
56.05013	0.8
58.71305	0.5
59.06118	0.5
65.03933	5.5
67.05479	0.9
68.05017	1.0
69.03416	0.6
69.04541	0.7
69.62371	1.0
69.62781	3.8
70.06596	0.7
78.88045	0.5
79.05481	10.8
81.03386	1.4
81.04522	1.2
81.07047	14.8
83.01328	6.6
83.06101	1.2
90.56898	0.5
91.05469	19.1
93.98018	0.5
94.04155	0.9
95.04969	4.6
95.06082	1.0
97.07610	1.1
98.07162	0.8
103.84502	0.5
105.04469	0.7
107.06053	1.3
109.02857	0.8
109.06506	51.3
110.06879	1.9
111.07962	0.5
119.01952	3.0
119.04930	8.0
119.08603	1.0
122.07127	1.2
123.07962	1.2
123.09099	0.9
124.08704	2.6
125.09483	0.8
127.03892	1.3
137.03015	1.0
137.05963	40.0
138.06436	1.0
142.03474	2.0
147.04395	6.5
148.08618	0.8
160.04517	0.8
165.05458	100.0
165.11330	1.2
166.05884	2.8
166.08548	1.2
168.01935	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0546
Annotation	2-Hydroxy-3-phenylpropenoate
Peak:m/z	Relative Intensity
50.01598	0.3
51.02372	0.4
53.03946	2.0
53.83074	0.2
55.01868	0.4
55.05528	0.2
55.88540	0.1
56.05026	0.4
56.96561	0.6
59.88852	0.1
65.03927	1.0
67.05506	1.0
67.05807	0.2
68.99802	0.4
69.03394	0.2
70.06580	0.5
70.55646	0.5
70.56035	0.4
74.02441	0.5
77.03928	0.6
79.05489	0.3
81.03418	0.5
81.07036	0.8
82.62025	0.2
87.96426	0.1
90.27963	0.2
91.05473	17.4
92.05801	0.4
93.07027	1.6
94.04171	0.3
95.04961	65.8
96.04675	0.2
96.05283	1.5
100.02486	0.2
101.00882	1.5
103.05461	4.4
105.04507	1.1
107.04951	0.3
109.06511	3.8
117.03991	0.2
119.01926	7.7
119.04934	53.6
120.02012	0.3
120.05242	1.5
120.08071	0.9
121.06497	1.8
123.04420	100.0
124.02421	0.2
124.04745	2.1
137.02953	2.9
137.05969	2.3
142.03482	5.6
143.00139	0.2
147.04396	18.8
148.04753	0.6
149.04529	0.2
153.04150	0.2
157.86559	0.2
160.04546	1.7
161.01195	0.3
161.02907	0.2
165.05467	3.0
165.06735	0.2
165.10216	0.3
166.07254	1.3
166.08525	0.2
167.05595	0.2
179.72314	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0545
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.7
54.03460	0.2
55.01859	0.5
55.05497	0.2
56.05025	0.7
58.06593	0.2
59.06118	0.3
60.41766	0.2
60.96419	0.2
65.03932	1.8
67.05492	1.7
68.05019	0.9
69.03416	0.4
70.06583	0.8
70.68687	0.7
71.98871	0.2
77.03934	0.2
79.05490	1.0
79.12469	0.2
80.05006	0.8
81.03414	0.6
81.04527	0.6
81.07042	1.6
82.06567	0.5
83.06099	1.7
84.08107	0.3
85.07639	0.6
87.04498	0.2
91.05467	30.0
92.05797	0.8
93.07031	1.0
94.06546	0.4
95.01322	0.6
95.04963	3.5
95.06071	0.5
95.08603	0.9
95.17175	0.2
97.02891	0.3
97.06479	0.2
97.07645	0.7
98.07166	0.5
101.00828	0.9
103.05452	0.6
105.03362	0.3
105.04513	0.2
105.07014	0.9
107.04948	0.6
107.06034	0.6
107.08573	0.4
109.06496	1.2
109.07616	1.1
109.10129	1.0
110.07166	0.5
111.09191	0.3
117.07005	0.2
118.01874	0.2
119.01923	6.2
119.04925	55.7
119.08554	1.9
120.05229	1.4
120.08107	1.3
121.02817	0.2
121.06505	0.2
121.07593	0.8
121.10152	0.3
122.07159	0.7
123.04425	4.4
123.08053	1.1
124.08730	1.4
124.93880	0.2
125.09459	0.9
128.11710	0.3
133.02843	0.6
134.57321	0.2
135.04405	0.3
136.08672	0.2
137.02986	2.5
137.05963	2.1
137.06981	0.4
137.09618	1.3
138.02979	0.2
138.05440	0.3
138.09138	0.4
138.10188	0.4
142.03481	4.1
142.96698	0.5
147.04388	100.0
148.04747	3.5
148.07648	0.2
148.08673	1.3
150.06833	0.2
160.04530	1.4
165.01772	0.5
165.04089	0.2
165.05467	3.2
165.07776	0.4
165.09087	1.7
165.11354	2.2
165.12775	0.6
166.04980	0.7
166.08582	0.7
166.09824	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0546
Annotation	4-Coumaric acid
Peak:m/z	Relative Intensity
51.02378	0.2
53.03941	1.2
54.03467	0.6
55.01856	0.7
55.05498	0.5
56.05024	1.5
56.96547	0.4
57.04545	0.3
58.06596	0.8
59.06113	0.6
62.81284	0.2
65.03932	2.3
67.05483	1.8
68.05024	2.5
68.99774	0.2
69.03420	0.6
69.04533	0.4
69.62491	1.4
69.62908	0.5
70.04163	0.2
70.06590	2.2
71.06126	0.3
77.03925	0.4
79.05483	1.7
80.05009	1.3
81.03416	0.8
81.04536	1.8
81.05814	0.3
81.07040	2.2
82.06570	1.7
83.04967	0.2
83.06101	3.5
83.93011	0.3
84.08129	0.5
85.07648	1.6
91.05468	30.3
92.04977	0.3
92.05817	0.7
93.04448	0.3
93.07034	1.3
94.06570	0.5
95.04957	4.0
95.06076	1.5
95.08569	1.2
96.04473	0.3
96.05609	0.2
97.03938	0.2
97.06429	0.4
97.07635	1.9
98.07172	1.6
99.09163	0.3
101.00870	0.9
103.05481	1.4
105.03381	0.5
105.04512	0.4
105.07030	1.9
107.04972	1.0
107.06068	1.8
107.08543	0.5
108.04459	0.5
108.05643	0.3
108.06856	0.4
109.02868	0.6
109.06514	2.0
109.07626	2.4
109.10146	1.3
110.07173	1.1
111.04437	0.3
111.09195	0.7
117.07025	0.3
119.01923	8.1
119.04926	55.3
119.08544	2.3
120.01886	0.3
120.04485	0.4
120.05227	1.6
120.08089	7.3
121.02872	0.3
121.06555	0.5
121.07605	1.6
121.10102	0.7
122.03552	0.3
122.06281	0.3
122.07144	2.2
123.04423	4.5
123.05434	0.4
123.06672	0.3
123.08028	1.9
123.11743	0.3
124.02401	0.3
124.08689	3.3
125.02406	0.2
125.05893	0.3
125.07135	0.3
125.09492	1.8
129.06905	0.4
131.04893	0.4
133.02829	1.8
133.06421	0.5
136.07607	0.3
136.08687	0.4
137.02972	3.7
137.05945	4.6
137.06992	0.4
137.09567	1.7
138.05499	0.3
138.06564	0.6
138.09259	0.3
138.10237	1.5
142.03484	5.3
142.94949	0.3
142.96695	1.3
147.04387	100.0
148.03703	0.4
148.04753	3.3
148.07579	0.3
148.08659	2.7
160.04573	2.0
165.01799	0.9
165.05481	6.1
165.06728	0.3
165.07632	0.9
165.09082	2.2
165.11362	5.1
165.12729	0.8
166.04999	0.9
166.08510	1.2
166.09813	0.5
176.01599	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0509
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45392	0.3
55.05507	0.4
56.96557	1.9
60.25579	0.3
65.03939	0.4
65.92606	1.3
69.03400	0.4
69.84266	2.3
70.06564	0.5
78.95269	0.4
80.94959	2.3
81.07009	0.3
82.99824	1.4
84.08128	0.5
91.05466	4.4
95.04963	1.8
97.02874	0.4
98.20657	0.4
98.97583	0.3
100.02447	1.1
101.00860	20.3
101.64793	0.3
102.00951	1.0
103.05488	0.4
118.03495	0.7
119.01899	100.0
119.04906	6.8
120.01978	4.0
120.08083	0.5
121.02299	0.4
121.97559	0.9
123.04398	1.5
124.02422	4.0
124.93880	0.8
133.03516	0.5
137.02937	30.6
138.03003	1.4
142.03479	53.7
142.94925	0.6
143.03610	2.5
147.04388	8.3
148.07526	0.4
160.04529	16.5
160.95996	0.8
161.02936	0.6
161.04750	0.6
161.06648	0.4
165.05141	2.5
166.07213	0.9
167.05724	0.3
183.06078	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0545
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	5.1
54.93810	1.3
55.01854	3.2
65.03922	6.0
67.05487	2.8
69.03412	1.6
69.45388	1.6
69.45716	16.2
77.03933	1.3
79.05486	11.4
81.03407	3.3
81.06690	1.3
81.07054	15.2
83.01324	5.4
85.69444	1.6
91.05484	17.8
95.04946	6.1
95.08602	2.0
109.06506	48.6
119.01930	8.1
119.04917	6.0
126.74924	1.6
127.03944	1.5
137.02959	4.5
137.05965	33.6
142.02486	1.3
142.03494	5.2
147.04416	4.6
151.31711	1.3
165.05463	100.0
165.12680	3.5
178.08559	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0545
Annotation	4-Coumaric acid
Peak:m/z	Relative Intensity
53.03939	0.6
54.03466	0.2
55.01865	0.5
55.05502	0.6
56.05039	0.8
56.96560	0.3
57.03444	0.3
57.04576	0.2
58.06585	0.4
65.03607	0.3
65.03928	2.1
67.05499	2.8
68.05013	1.1
68.88798	0.2
68.99776	0.2
69.03419	0.4
69.04539	0.3
69.07063	0.4
69.45013	1.9
70.06597	1.1
79.05475	1.8
80.05001	0.5
81.03397	0.5
81.04549	0.9
81.07054	1.8
82.06571	0.9
82.99777	0.2
83.04993	0.2
83.06107	1.8
85.02883	0.2
85.07656	0.7
91.05473	30.1
92.05817	0.9
93.07048	1.3
94.04192	0.3
94.06528	0.3
95.01328	0.2
95.04959	5.3
95.06093	0.8
95.08596	1.4
97.02898	0.2
97.07644	0.7
98.07174	0.8
101.00882	0.6
103.05454	1.8
105.03394	0.6
105.04475	0.4
105.07038	1.9
107.04938	0.5
107.06062	1.1
107.08583	0.7
108.06853	0.3
109.02874	0.2
109.06521	1.6
109.07642	1.1
109.08272	0.2
109.10149	2.1
110.06040	0.3
110.07172	0.4
111.09183	0.6
117.06991	0.3
119.01930	3.9
119.04934	52.9
119.08562	3.0
120.05244	1.7
120.08102	1.6
121.06554	0.4
121.07595	1.0
121.10104	0.4
122.03648	0.4
122.07175	1.0
123.04428	7.1
123.08038	1.7
123.11678	0.3
124.08715	1.3
125.09486	1.1
131.04893	0.3
132.05716	0.4
133.02843	1.4
133.06418	0.6
134.99605	0.2
135.04420	0.3
137.02985	1.7
137.04938	0.3
137.05962	2.6
137.07927	0.5
137.09590	2.7
138.06477	0.2
138.09180	0.2
138.10207	0.5
142.03497	2.2
142.96703	0.4
147.04396	100.0
147.11671	0.5
147.60611	0.2
148.04747	3.1
148.07590	0.2
148.08656	1.2
160.04489	0.9
165.01811	0.9
165.05548	3.7
165.06946	0.2
165.07620	0.7
165.09093	3.0
165.11337	1.8
165.12726	0.8
165.13875	0.2
166.04909	0.5
166.08543	0.8
183.85460	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0545
Annotation	3-(3,4-dihydroxyphenyl)prop-2-enal
Peak:m/z	Relative Intensity
53.03945	4.9
55.01868	6.3
65.03938	6.6
67.05489	2.2
67.51486	1.0
70.86045	2.2
70.86401	2.0
79.05486	15.0
81.03400	1.8
81.07051	17.8
83.01315	6.3
91.05476	21.9
95.04956	5.5
105.04485	1.6
107.04903	1.3
109.06509	50.7
109.10129	1.3
110.06851	1.3
119.04926	7.5
137.05966	40.5
137.09587	1.6
147.04382	6.9
165.05470	100.0
165.09123	6.2
165.12801	1.4
166.05817	2.9
176.13156	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0508
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79909	0.5
70.79144	1.3
79.89075	0.4
82.99847	1.3
100.02482	0.9
101.00864	18.5
102.00960	0.6
116.86005	0.4
119.01904	100.0
120.01990	3.5
121.02319	0.6
124.02431	4.6
137.02939	34.0
138.03040	1.2
139.03407	0.4
142.03484	72.3
143.03575	1.9
144.03905	0.6
151.31320	0.4
156.05063	0.6
160.04544	22.2
165.05067	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	164.0917
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.3
55.01852	1.4
55.05504	2.6
56.05029	14.9
56.06270	1.5
56.96555	1.2
57.02170	10.0
57.03415	0.7
57.05813	3.8
57.07066	0.5
58.02950	4.8
58.06592	1.5
60.04521	6.4
63.92942	3.3
65.03918	1.1
67.05489	1.9
68.05025	1.2
69.03421	1.9
70.06581	4.1
71.04987	0.9
71.07367	6.4
71.74228	0.8
72.08143	96.8
73.02901	1.0
73.05285	0.9
73.06550	4.9
73.08473	1.5
74.02431	100.0
74.06074	2.0
75.02840	1.9
75.03211	55.7
76.03556	0.9
78.95265	6.4
79.05499	1.0
80.05009	1.6
81.03420	1.8
81.07039	1.0
82.06571	14.4
83.04980	2.3
83.06086	1.1
83.06886	0.7
84.05755	1.2
84.08127	3.6
85.02885	0.6
86.06049	3.9
87.03203	2.3
88.04009	2.0
89.04770	1.6
91.05466	10.8
93.05719	0.5
93.07018	1.2
94.06567	1.1
95.04952	19.9
95.06019	0.9
99.04472	0.7
100.02505	0.6
100.07609	9.2
101.00836	2.7
101.08401	1.3
102.05518	3.0
103.05472	1.6
103.06336	1.3
104.03450	14.5
104.07112	0.8
108.04501	0.7
108.08097	1.3
109.02870	0.6
109.06541	2.0
109.07652	0.9
109.10113	0.6
110.07195	1.5
113.06014	0.8
116.07101	1.0
117.07858	7.4
118.08637	45.7
119.01904	17.4
119.02740	0.9
119.04926	23.4
119.08555	0.9
119.97886	3.6
121.06513	0.6
122.06016	1.1
122.07151	0.8
122.94205	3.1
123.04409	24.1
123.09162	0.6
128.07066	7.9
130.08618	2.8
132.06549	1.2
136.03900	0.9
136.07567	3.0
137.02963	6.0
137.05968	2.7
137.07033	1.2
137.09631	0.9
140.95262	2.3
142.03493	11.4
146.06024	0.8
146.08176	0.6
147.04388	17.3
147.08023	0.7
148.08617	0.7
149.06818	13.3
158.96303	5.1
159.03278	0.6
160.04517	3.8
163.96896	0.7
164.03336	1.7
164.04414	1.8
164.05650	0.8
164.07021	6.6
164.09221	9.4
164.10733	2.4
164.11940	0.7
165.01863	1.3
165.05414	2.9
165.11371	0.7
181.97946	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.148
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	1.3
53.03943	9.4
54.04286	0.5
55.01857	1.5
55.05507	3.8
55.74947	0.4
57.03436	0.4
57.07061	1.0
60.56156	0.5
64.90216	0.4
65.03929	0.9
67.05138	0.7
67.05499	13.7
67.60168	0.4
68.05025	0.5
69.03402	0.8
69.07060	5.7
71.13054	0.4
77.03527	0.4
77.03915	1.9
79.05487	34.2
80.05807	0.8
81.03414	2.4
81.07048	21.2
83.04971	0.6
83.08614	3.3
89.03929	0.6
91.05470	10.1
92.02625	4.4
92.05832	0.6
93.07036	32.9
94.07374	0.8
95.04964	19.4
95.08599	19.5
96.05274	0.5
96.08913	0.7
97.10144	1.1
98.20756	1.3
100.02453	1.7
103.05453	3.0
104.04947	2.2
105.03404	6.7
105.04504	3.8
105.05775	2.6
105.07016	4.4
106.06584	0.6
107.04955	5.9
107.08585	26.3
108.08125	0.7
108.08899	1.2
109.06478	1.0
109.10150	1.1
115.05461	1.0
117.05779	0.4
117.07011	3.7
118.03510	1.3
118.06533	1.3
118.54698	0.5
119.04926	1.8
119.08566	2.6
120.04437	1.4
120.08062	0.6
121.06490	4.7
121.10133	31.1
122.10467	1.2
130.06526	1.1
130.07739	0.9
131.04915	2.9
132.04425	1.6
132.08078	1.8
133.02843	26.5
133.05191	1.4
133.10072	0.9
134.03175	1.8
135.04401	28.0
135.08040	1.8
135.11681	4.1
136.04756	1.5
136.07558	0.8
138.03098	1.1
145.03961	0.5
145.06468	1.4
145.10109	3.1
149.04710	1.3
162.05492	0.7
163.03889	100.0
163.07510	3.9
163.09561	2.0
163.11154	28.3
163.12218	1.3
163.14812	21.5
164.04329	5.9
164.05591	0.8
164.06992	2.8
164.10568	0.9
164.11774	0.6
164.15211	0.9
177.45522	0.4
179.77304	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.148
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	1.3
53.03943	9.4
54.04286	0.5
55.01857	1.5
55.05507	3.8
55.74947	0.4
57.03436	0.4
57.07061	1.0
60.56156	0.5
64.90216	0.4
65.03929	0.9
67.05138	0.7
67.05499	13.7
67.60168	0.4
68.05025	0.5
69.03402	0.8
69.07060	5.7
71.13054	0.4
77.03527	0.4
77.03915	1.9
79.05487	34.2
80.05807	0.8
81.03414	2.4
81.07048	21.2
83.04971	0.6
83.08614	3.3
89.03929	0.6
91.05470	10.1
92.02625	4.4
92.05832	0.6
93.07036	32.9
94.07374	0.8
95.04964	19.4
95.08599	19.5
96.05274	0.5
96.08913	0.7
97.10144	1.1
98.20756	1.3
100.02453	1.7
103.05453	3.0
104.04947	2.2
105.03404	6.7
105.04504	3.8
105.05775	2.6
105.07016	4.4
106.06584	0.6
107.04955	5.9
107.08585	26.3
108.08125	0.7
108.08899	1.2
109.06478	1.0
109.10150	1.1
115.05461	1.0
117.05779	0.4
117.07011	3.7
118.03510	1.3
118.06533	1.3
118.54698	0.5
119.04926	1.8
119.08566	2.6
120.04437	1.4
120.08062	0.6
121.06490	4.7
121.10133	31.1
122.10467	1.2
130.06526	1.1
130.07739	0.9
131.04915	2.9
132.04425	1.6
132.08078	1.8
133.02843	26.5
133.05191	1.4
133.10072	0.9
134.03175	1.8
135.04401	28.0
135.08040	1.8
135.11681	4.1
136.04756	1.5
136.07558	0.8
138.03098	1.1
145.03961	0.5
145.06468	1.4
145.10109	3.1
149.04710	1.3
162.05492	0.7
163.03889	100.0
163.07510	3.9
163.09561	2.0
163.11154	28.3
163.12218	1.3
163.14812	21.5
164.04329	5.9
164.05591	0.8
164.06992	2.8
164.10568	0.9
164.11774	0.6
164.15211	0.9
177.45522	0.4
179.77304	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.148
Annotation	Geijeren
Peak:m/z	Relative Intensity
51.02375	1.2
53.03713	0.6
53.03942	8.8
54.04258	0.6
55.01860	1.8
55.05506	4.9
57.07065	0.8
65.03933	0.8
65.12817	0.4
67.05141	0.8
67.05497	15.2
69.03410	0.7
69.07061	5.7
71.20173	0.9
75.69442	0.4
77.03903	2.2
79.05486	32.1
80.05017	0.8
80.05816	0.9
81.03390	2.6
81.07047	20.4
83.04935	0.4
83.08607	2.4
86.20909	0.4
91.05466	8.6
92.02608	4.0
93.02938	0.5
93.07033	28.0
94.07364	0.7
95.04958	18.5
95.08598	25.7
96.05288	1.1
97.10152	1.3
100.02461	2.6
102.49995	0.4
103.05459	3.3
105.02759	0.5
105.03403	6.2
105.04503	3.8
105.07020	4.2
106.03704	0.5
106.06562	0.9
106.07289	0.5
107.04932	7.7
107.08579	21.8
108.08131	0.8
108.08894	0.7
109.06513	1.2
109.10136	1.8
115.05463	0.9
117.03356	0.5
117.07027	3.1
118.03506	1.7
118.06535	0.7
119.04925	2.1
119.08565	2.5
120.02071	0.7
120.08142	0.7
121.06501	3.0
121.10131	36.1
122.10463	1.2
125.87484	0.4
130.06529	1.3
130.07768	1.3
131.04947	3.1
132.08092	1.4
133.02837	25.4
134.03180	1.7
134.07187	0.5
135.04401	29.0
135.08029	2.2
135.10030	0.7
135.11655	4.7
136.04750	1.8
136.07550	1.4
138.03091	1.4
145.03999	0.6
145.06470	1.6
145.10097	4.1
147.04395	0.6
163.03888	100.0
163.07462	3.1
163.09506	2.9
163.11153	21.4
163.12314	1.1
163.14798	20.8
164.04326	7.0
164.07007	4.0
164.10696	1.9
164.15178	1.0
164.72685	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1116
Annotation	Lamoxirene
Peak:m/z	Relative Intensity
51.02365	1.4
53.03942	10.4
55.01866	22.4
55.05507	12.6
56.90793	0.8
56.96521	1.1
57.03428	7.6
57.07058	1.4
65.03919	2.9
67.05499	26.3
68.05003	1.0
69.03417	9.7
69.07056	10.8
70.86898	2.8
71.04969	2.8
72.08139	1.3
77.03898	2.1
79.05481	64.1
80.05000	1.6
80.05798	1.3
81.03408	6.3
81.04507	1.1
81.07049	28.7
81.20726	0.9
82.05305	1.2
83.04967	4.7
83.08582	1.8
84.08127	1.1
85.02876	1.0
89.03896	2.2
91.05470	42.9
91.06046	2.1
92.02605	2.7
92.05786	1.2
93.07032	85.6
94.07330	1.3
95.04956	30.3
95.06051	1.6
95.08006	1.5
95.08593	24.8
95.09193	1.4
96.06844	1.3
97.06508	2.4
100.02489	1.5
103.05457	46.1
104.05783	1.4
105.03344	4.2
105.04498	4.9
105.07018	40.7
106.06547	1.6
106.07270	1.0
107.04944	37.7
107.08581	66.5
108.08092	1.4
108.08995	1.0
109.06506	5.5
115.05446	9.0
116.06233	2.0
117.03358	1.1
117.07006	45.1
118.03503	1.8
118.06531	1.8
118.07343	1.7
119.04922	3.5
119.06009	1.4
119.08561	24.7
120.05634	1.7
120.08115	1.5
121.06492	24.1
121.10116	18.5
122.07112	3.7
123.08025	1.6
128.06140	0.9
129.06961	4.2
130.06534	2.9
130.07762	13.5
131.04912	47.4
132.08069	2.8
133.02834	17.6
133.06482	2.3
133.10121	4.4
134.07224	1.1
135.04396	21.2
135.08034	13.0
135.11668	29.2
136.07564	1.6
136.08618	1.6
136.11977	1.0
143.08559	4.2
145.02837	2.1
145.03925	2.0
145.06451	3.8
145.10106	61.9
146.07100	1.3
146.10446	2.0
147.08086	1.9
148.05057	1.2
148.08765	1.3
163.03886	67.0
163.04955	2.4
163.07518	22.0
163.09732	6.4
163.11153	100.0
163.14809	6.8
164.04285	3.4
164.07050	4.2
164.11586	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0865
Annotation	5-methoxy-6-methylbenzimidazole
Peak:m/z	Relative Intensity
53.03928	0.8
54.03460	0.1
55.01854	0.4
55.05480	0.2
56.05019	0.3
56.96559	1.8
57.03424	0.3
57.07063	0.2
60.04528	0.2
60.95851	0.2
60.99158	0.1
61.02919	0.2
63.02390	0.2
63.92937	1.6
65.03925	0.3
67.05494	0.5
68.05017	0.3
68.99775	0.1
69.03419	0.9
69.07056	0.2
69.96808	0.1
70.06573	0.7
71.04967	0.2
71.65012	0.2
71.72169	0.1
72.04508	0.2
73.02901	0.3
73.15166	0.2
74.02427	0.6
74.06056	0.2
77.03906	0.2
78.95271	3.0
79.05479	1.7
80.05000	0.4
81.03410	0.6
81.04535	0.4
81.07052	0.3
81.94004	0.3
83.01285	0.2
83.04981	0.2
83.06082	0.2
83.08575	0.2
84.04519	0.2
84.08119	0.6
85.02892	1.6
89.03906	4.3
90.04256	0.2
91.05472	1.4
92.02610	0.3
92.04998	0.9
93.07040	0.6
94.06568	0.3
95.04957	1.8
95.06087	0.5
95.08601	0.1
96.06878	0.2
96.96305	0.4
97.02886	0.4
97.07629	0.2
98.97565	0.5
99.05574	0.5
100.02477	0.2
100.03947	0.4
102.96856	0.3
103.05444	1.5
105.03381	0.5
105.04512	0.5
105.07014	0.4
106.06545	1.3
107.04942	2.4
107.06091	0.4
107.08562	0.8
108.05550	0.1
108.08109	0.3
109.02871	0.2
110.07166	0.2
112.07601	0.2
115.05431	0.3
116.98605	0.4
117.03366	3.1
117.05750	1.2
117.07034	0.5
118.05029	0.3
118.06553	2.4
119.04922	0.4
119.06066	0.2
119.08553	0.3
119.97885	2.0
120.04486	0.1
120.05627	0.2
120.08094	0.6
120.97918	0.3
121.01662	0.8
121.06509	0.4
121.10158	0.3
122.06025	0.5
122.07193	0.3
122.94202	1.3
123.07985	0.4
127.03940	0.2
130.06528	2.2
131.04903	1.6
132.07048	0.2
132.08092	2.1
133.02823	1.9
133.07599	15.8
134.07979	0.5
134.99651	0.2
135.04402	8.2
135.08023	0.6
135.11693	0.2
136.04747	0.4
136.06229	0.2
136.07558	0.6
136.08609	0.3
138.03105	0.1
139.02710	0.5
140.95229	0.9
145.01712	0.2
145.02855	2.5
145.03909	0.3
145.07590	15.8
145.10042	0.4
146.03391	0.2
146.04518	0.4
146.06081	0.7
146.07098	0.3
146.08360	1.9
158.96303	2.0
159.03294	0.3
162.05496	1.6
163.03915	13.7
163.08643	100.0
163.12218	1.8
163.96825	0.3
164.03168	0.2
164.04373	0.4
164.06999	0.5
164.09038	3.4
164.10672	0.4
176.97453	0.1
177.00706	0.2
181.97896	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0751
Annotation	Methyl cinnamate
Peak:m/z	Relative Intensity
51.02392	0.5
53.03938	1.7
65.03929	0.4
67.05495	0.6
69.68163	0.8
69.68584	1.9
77.03926	0.5
79.05485	3.4
80.05003	0.3
81.03393	0.5
81.07043	0.5
82.90801	0.3
89.03941	0.3
91.05467	3.6
92.02557	0.3
93.07047	1.5
95.04944	3.9
95.06069	0.7
95.08557	0.4
97.00953	0.3
102.04672	0.5
103.05454	88.3
104.05785	3.7
105.03380	1.0
105.04476	0.8
105.07030	1.1
107.04948	4.0
107.08585	1.3
108.08110	0.5
115.05442	1.0
117.07000	1.2
118.06557	0.9
119.04922	0.7
119.08572	0.5
120.05666	0.7
121.06491	1.2
121.10133	0.7
122.07161	1.1
123.07936	0.7
130.06575	0.6
131.04912	100.0
132.05229	4.2
132.08089	0.5
133.02847	4.1
135.04396	5.2
135.08005	1.8
135.11594	0.3
136.07611	0.4
136.08722	0.5
145.06433	0.8
145.10088	0.7
146.07095	0.4
148.05193	0.9
148.54716	0.4
149.37837	0.3
163.03886	17.1
163.07520	35.9
163.09747	1.8
163.11162	1.0
163.14792	0.5
164.04312	0.7
164.08131	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0753
Annotation	Methyl cinnamate
Peak:m/z	Relative Intensity
50.01596	0.7
51.02374	0.7
53.03941	3.4
54.03454	0.8
55.01865	1.1
55.05506	0.5
56.05025	0.7
56.96555	1.0
57.03416	0.5
57.07064	0.6
58.06580	0.4
60.04523	0.3
63.02376	0.4
63.92931	0.5
65.03933	0.9
67.05499	1.8
68.05017	2.0
69.03428	1.6
69.04540	0.5
69.07064	0.5
70.03648	1.8
70.06586	0.8
73.02900	0.5
74.06058	0.4
75.46751	0.3
77.03927	1.3
77.86701	0.3
78.95261	0.8
79.05014	0.5
79.05487	9.8
79.05923	0.7
79.72123	0.3
80.04994	1.7
81.03409	1.5
81.04533	2.7
81.07037	0.4
82.05308	1.4
82.06578	0.8
83.06091	1.2
84.08164	0.6
85.02914	2.2
86.06078	0.5
89.03912	13.9
90.04227	0.8
91.05478	5.0
92.02614	1.5
92.04989	0.3
93.04517	0.9
93.07043	3.1
94.06564	0.8
95.01308	0.5
95.04961	9.1
95.06079	3.7
95.08587	0.8
96.06860	1.2
97.02877	0.4
97.07618	1.5
98.21335	0.5
102.04670	1.8
103.05460	83.3
104.05792	3.2
105.03397	2.9
105.04488	3.0
105.07040	2.3
106.06538	0.7
107.04951	9.9
107.06053	2.3
107.08593	3.1
108.04497	0.6
108.05600	2.5
108.08135	0.7
109.06523	0.8
109.07624	1.7
110.06066	0.5
115.05441	1.2
115.72731	0.4
117.03378	12.2
117.05740	0.7
117.07014	4.8
118.03523	0.4
118.05133	0.3
118.06525	1.0
119.04935	1.6
119.06045	1.2
119.08553	0.8
119.97903	0.5
120.02095	0.4
120.04483	0.3
120.05582	1.8
120.08087	0.7
121.06489	2.4
121.08389	0.6
121.10155	1.7
122.06159	0.6
122.07146	5.1
122.94205	0.3
123.07918	2.7
128.51833	0.3
130.03278	0.4
130.04097	2.0
130.06526	1.1
131.04919	100.0
132.05252	3.7
132.08096	1.3
133.02844	9.9
134.03145	0.5
135.04408	33.9
135.08014	3.5
135.11632	0.8
136.04762	1.2
136.07559	1.3
136.08691	4.8
136.11214	0.3
137.07089	0.6
139.01765	0.4
145.01671	0.6
145.02850	9.3
145.03928	1.0
145.06474	2.9
145.10097	1.2
146.02324	0.6
146.07108	2.0
147.04408	1.6
147.08057	0.5
148.05196	5.6
154.78416	0.3
158.96306	0.9
163.03896	59.9
163.07535	30.8
163.09738	10.2
163.11163	3.8
163.12328	1.2
163.14777	0.8
164.03279	1.1
164.04491	2.8
164.05414	0.4
164.05643	0.4
164.07051	2.2
164.08073	1.7
164.10707	0.8
164.14334	0.4
181.02869	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0752
Annotation	Methyl cinnamate
Peak:m/z	Relative Intensity
50.01607	0.3
52.07854	0.3
53.03945	1.5
55.01860	0.4
57.81454	0.4
63.02386	0.4
65.81686	0.3
69.03410	0.3
69.73900	2.2
71.35872	0.3
77.03906	0.5
79.05492	2.8
81.03420	0.4
91.05476	3.0
93.07024	0.8
95.04955	3.0
98.20611	0.3
102.04660	0.4
103.05456	94.2
104.05792	3.3
105.03397	0.6
105.04499	0.9
105.07027	3.1
107.04939	3.6
107.08595	1.3
115.05447	1.4
117.07016	1.4
119.04914	0.5
120.05698	0.7
121.06483	0.4
122.07108	0.5
123.07983	0.5
125.64046	0.3
130.06516	0.5
131.04912	100.0
132.05231	3.8
133.02847	2.3
133.06511	0.3
135.04391	2.9
135.08035	4.0
136.07620	0.3
136.08658	0.5
145.06491	0.5
145.10162	0.5
146.07108	0.4
148.05171	0.8
163.03894	10.4
163.07526	41.5
163.09764	1.4
163.11163	1.2
164.04372	0.5
164.07935	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0752
Annotation	Methyl cinnamate
Peak:m/z	Relative Intensity
50.11145	0.3
50.87761	0.3
53.03939	1.4
68.05010	0.6
68.99768	0.3
70.06586	0.3
71.01131	0.7
77.03925	0.7
79.05478	2.1
80.04980	0.3
85.02895	0.5
91.05470	1.7
92.02607	0.4
93.07044	0.7
95.04956	3.4
95.06064	0.5
103.05454	86.5
104.05785	2.9
105.03359	0.8
105.04514	0.9
105.07014	1.3
107.04945	3.3
107.08566	0.9
115.05429	0.9
115.85611	0.3
117.03365	0.3
117.07011	0.9
118.06561	0.3
119.04936	0.6
119.08608	0.3
120.05627	0.6
121.06496	0.6
121.10164	0.4
122.07145	0.8
123.07909	0.5
131.04912	100.0
132.05249	3.9
133.02838	2.5
135.04413	3.9
135.07074	0.4
135.07990	1.5
135.11617	0.4
136.08662	0.9
145.06490	0.4
146.05965	0.4
146.07076	0.4
148.05185	0.7
163.03891	12.5
163.07524	30.8
163.09529	1.9
163.11183	1.1
164.04324	0.5
164.07957	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	162.076
Annotation	O-Acetyl-L-homoserine
Peak:m/z	Relative Intensity
55.01864	1.3
55.05499	1.4
56.05033	17.1
56.96565	2.5
57.03181	0.7
57.03435	6.2
58.06591	1.6
58.99589	0.9
60.04517	2.1
69.03416	1.3
69.07069	1.1
70.06584	3.7
71.05000	0.6
71.23766	1.2
72.04491	0.8
74.02430	4.5
74.06071	100.0
75.06408	0.8
79.05491	1.8
81.07049	5.7
83.08617	1.3
84.04492	8.3
84.08121	1.1
85.02889	3.7
85.06538	1.1
86.09703	2.0
88.07609	0.8
95.04976	0.8
97.02895	1.3
98.06048	9.0
98.09681	13.6
98.97563	0.6
99.08086	21.1
100.07639	0.8
100.08399	0.8
102.05534	35.8
103.03937	3.8
103.05407	1.0
105.04493	0.7
107.04974	0.8
111.50771	0.5
116.01711	0.7
116.07085	7.9
116.10721	12.1
117.07002	0.6
120.06568	63.9
120.08068	3.3
121.05099	0.8
121.06926	1.0
126.05500	2.7
126.09129	1.2
127.03935	0.6
130.06522	0.6
132.36456	0.6
133.02823	1.3
134.06085	0.7
135.04482	1.4
135.07942	0.5
135.09067	0.5
144.06516	3.8
144.10217	2.4
145.05037	0.9
147.45723	0.6
157.03506	1.4
162.05498	2.2
162.07707	3.7
162.09163	1.7
162.11230	3.6
163.03909	4.2
163.08742	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	162.076
Annotation	L-Glutamate methylester
Peak:m/z	Relative Intensity
50.61412	0.4
53.03944	1.9
55.01858	1.3
55.05495	1.6
56.05032	24.5
56.96561	2.7
57.03432	4.3
57.07056	0.4
58.06590	1.2
58.99584	0.6
59.01305	0.4
59.04979	0.4
60.04518	1.4
60.05643	0.5
60.08142	0.5
61.02920	2.0
67.05486	1.6
68.05033	0.7
69.03423	6.2
70.06585	4.3
70.46439	1.3
70.46789	0.4
71.04975	0.9
72.04519	0.6
73.02901	2.0
74.06071	27.6
79.05473	3.0
80.05006	1.3
81.03411	1.3
81.07064	2.7
83.08617	2.9
84.01537	0.7
84.04495	100.0
84.08127	1.2
85.02890	8.3
85.04840	2.5
85.06535	3.9
85.08470	0.7
88.07627	0.4
89.03914	5.1
89.51093	0.5
90.05565	0.4
91.05477	1.2
92.01304	0.4
93.02096	0.7
93.07037	0.9
94.06536	0.4
95.01322	0.9
95.04955	3.5
96.04477	0.8
97.02863	3.1
98.03211	0.6
98.06055	3.3
98.09673	1.5
98.97591	1.1
99.04443	1.4
99.08100	0.7
101.00868	0.6
101.02385	0.6
102.05531	27.8
102.09188	1.4
103.03947	1.2
103.05468	1.2
105.03409	1.1
105.06993	0.6
106.06546	1.6
106.07226	0.5
107.04942	2.9
107.08600	0.9
109.02898	0.4
109.06535	0.5
113.02349	0.5
115.05429	0.7
116.01731	0.6
116.07082	36.5
116.10711	3.3
116.98617	1.0
117.03384	4.1
117.07008	0.6
118.06551	0.6
119.01877	2.0
119.04928	0.5
119.07316	0.5
119.08615	0.5
120.01993	4.2
120.06572	17.6
120.08049	5.3
120.97932	0.7
121.01665	3.1
121.06665	0.6
121.10154	0.4
126.05502	0.5
126.09155	1.3
127.03923	1.6
127.07541	0.7
130.04994	12.6
130.06468	0.5
131.01892	0.7
131.04877	0.8
131.08945	0.4
132.08073	1.0
133.02747	3.7
133.05179	0.5
134.03569	0.4
134.06018	1.1
134.09647	1.7
134.99632	1.0
135.03334	0.7
135.04396	12.6
135.07990	0.6
138.03040	2.3
138.98891	0.5
139.02667	1.6
141.32416	0.4
144.02069	0.6
144.03278	0.7
144.04391	0.5
144.06522	3.1
144.08110	1.0
144.10197	1.1
145.02760	3.3
145.03850	0.7
145.04945	4.9
145.06010	0.5
145.06569	0.5
147.05013	1.0
148.05150	0.6
149.01251	0.8
149.04729	0.5
157.03444	2.4
162.03146	1.0
162.05476	5.4
162.07674	3.3
162.09157	12.6
162.11203	3.7
163.03886	24.3
163.07497	1.0
163.08528	2.4
163.11119	0.9
163.66109	0.4
167.05698	0.6
174.98529	0.7
175.02617	0.4
181.07051	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	162.0549
Annotation	Jineol
Peak:m/z	Relative Intensity
51.50250	0.2
53.03933	0.3
56.05016	0.3
57.20217	0.2
68.99767	0.3
69.49928	0.2
71.46909	0.4
72.08119	0.3
74.06060	0.9
79.05468	1.0
81.03459	0.3
81.04523	0.2
84.04472	0.4
89.03915	4.6
91.05453	0.7
91.50718	0.2
92.04981	0.5
92.16144	0.2
93.07040	0.4
94.06545	0.9
95.04951	0.5
102.05525	0.6
103.05460	0.7
105.06979	0.3
107.04956	1.4
115.05471	0.3
116.04979	4.3
117.03362	2.8
120.04462	3.7
120.06595	0.5
120.08092	1.0
131.04913	0.8
133.02840	0.8
134.03618	0.4
134.05994	0.8
134.09599	0.3
135.03467	0.4
135.04411	5.0
136.08682	0.4
144.04446	0.8
144.08086	0.3
145.02849	1.5
162.05489	100.0
162.09030	2.5
163.03883	6.1
163.05826	3.8
163.07443	0.4
163.09691	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	162.0582
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.0
55.01864	10.2
55.05500	0.9
56.05028	3.7
57.98785	1.2
58.06591	100.0
58.99577	60.9
59.06937	1.0
59.96712	0.6
60.04510	1.1
61.01145	0.6
62.00669	0.6
65.03938	2.1
67.04243	0.6
68.05016	1.6
69.03431	1.5
70.02950	0.7
70.06584	7.9
70.34306	2.2
72.04518	0.9
72.08167	1.0
73.01131	32.9
73.02908	0.8
74.00661	2.3
74.06068	5.5
75.02692	0.6
76.02219	12.0
77.03899	0.5
79.05478	1.8
79.66669	0.5
80.05020	1.0
82.06548	3.0
83.07352	1.7
84.04498	2.0
84.08159	0.8
85.02877	1.2
85.08443	0.6
86.06036	0.7
86.99041	36.6
88.03993	2.9
88.07648	0.9
89.03909	1.9
90.03799	0.7
91.02196	0.7
91.05490	1.0
95.04964	1.9
96.04504	0.7
97.02870	0.9
98.06042	1.3
99.02665	32.0
99.06819	1.2
102.05522	3.4
103.02186	0.8
103.05484	1.5
105.00071	15.5
105.03340	0.6
105.07003	0.8
106.06567	1.7
106.07298	0.6
106.82130	0.6
107.04929	1.2
114.05545	0.9
116.01696	1.6
116.05298	23.8
116.07108	1.1
117.03398	1.2
117.07022	0.9
120.02101	0.6
120.06567	3.4
120.08127	2.2
121.05125	1.1
123.07892	0.7
127.05005	0.5
128.07114	1.0
131.04980	1.5
133.02861	1.2
134.05965	2.7
134.06961	0.7
134.09616	1.3
134.81261	0.5
135.04407	5.2
135.05421	0.8
135.06639	0.7
135.08057	0.5
144.06537	0.9
144.08130	0.7
145.03163	35.6
146.03554	1.2
162.05708	10.2
162.07794	2.2
162.09198	7.5
163.03899	11.9
163.05130	0.9
163.06192	0.9
163.07565	1.6
163.09714	0.7
163.11223	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.1323
Annotation	Trinoranastreptene
Peak:m/z	Relative Intensity
53.03933	1.8
55.01872	1.4
55.05515	5.4
56.96552	1.8
63.47452	0.7
65.03938	1.7
67.05502	19.8
68.05030	1.0
69.03425	2.2
69.07065	7.3
74.06054	1.7
76.85665	0.5
78.93105	0.8
79.05026	1.2
79.05488	22.8
80.04998	1.6
81.07051	27.1
83.08617	1.3
91.05475	67.1
92.05800	1.7
93.07040	23.5
94.06537	0.7
95.04961	3.5
95.08604	11.4
103.05454	4.1
104.06200	0.9
105.07022	90.5
106.06602	1.3
106.07344	3.0
107.04973	1.0
107.08599	5.4
115.05428	2.6
117.07004	10.7
118.04122	1.1
118.06571	1.1
118.07782	0.6
119.08572	100.0
119.95695	0.6
120.06622	1.2
120.08138	8.5
120.08929	3.3
121.06528	3.2
128.06204	2.2
131.04878	0.8
131.08545	5.3
132.09370	1.2
133.06494	4.7
133.10118	62.5
134.06004	0.7
134.09618	3.6
134.10474	1.9
143.08566	3.3
144.08049	1.2
145.06499	1.6
146.03636	1.7
146.07263	5.8
146.10889	1.1
159.08002	0.7
159.11681	2.1
161.04790	0.8
161.05975	4.1
161.07121	1.0
161.09608	29.0
161.13251	82.0
162.05399	3.6
162.09094	22.2
162.13612	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	162.0548
Annotation	5-Hydroxyindole-3-carbaldehyde
Peak:m/z	Relative Intensity
51.02387	0.3
53.03939	1.6
53.30470	0.2
55.01868	0.7
55.93537	0.6
56.05018	1.2
56.96563	0.6
57.03422	0.5
58.06566	0.4
59.06100	0.7
60.04526	0.9
61.02919	0.2
63.02386	0.3
65.03926	2.0
67.02989	0.3
67.05512	0.5
68.05022	0.9
69.03431	0.8
70.06585	1.0
70.60493	0.3
71.08918	0.7
72.04502	0.6
72.08138	0.4
73.02911	0.3
74.06077	4.0
78.04691	0.4
79.05483	4.6
80.05019	1.1
81.03399	0.7
81.04543	0.6
81.07034	0.4
82.06609	0.2
83.06113	0.4
84.04475	1.3
84.08163	0.6
85.02906	1.1
85.08457	0.3
86.06052	0.5
88.07619	0.4
89.03902	5.6
91.05466	3.1
92.02627	0.7
92.04993	1.4
92.05789	0.3
93.03367	0.5
93.04496	0.3
93.07030	1.0
95.04958	3.4
95.06068	0.6
96.04485	0.6
96.06926	0.3
97.02898	1.0
97.07632	0.6
98.06048	0.9
99.04392	0.3
102.05534	2.7
103.05470	1.8
104.04980	0.3
105.03366	0.7
105.04501	0.7
105.07015	1.1
106.06545	9.0
106.07275	0.6
107.04936	5.9
107.06066	0.5
107.08585	0.7
110.06006	0.3
111.04426	1.1
115.05441	0.4
116.04964	33.2
116.07109	1.0
117.03381	2.3
117.04582	0.3
117.05190	0.4
117.05733	1.6
117.07017	1.0
118.06525	1.0
119.04908	0.9
119.07346	0.7
120.01981	0.4
120.04453	2.7
120.05290	0.4
120.05717	0.3
120.06574	2.6
120.08080	4.6
120.08868	0.4
120.96471	0.4
121.06484	0.6
121.10078	0.3
122.07128	0.9
123.08011	0.5
127.08640	0.4
131.04926	1.9
132.08054	0.7
133.02844	3.6
133.05240	1.5
133.06152	0.3
134.05995	40.8
134.09581	1.8
135.04405	7.4
135.05438	0.5
135.06372	0.8
135.08049	0.8
136.08675	0.7
136.52592	0.3
138.03119	0.3
138.98979	0.4
139.01767	0.8
144.04430	30.9
144.08102	0.7
145.02913	1.3
145.05092	1.3
145.06413	0.6
145.09821	0.6
146.96147	0.7
147.06726	0.4
162.05478	100.0
162.09084	11.7
163.03882	16.2
163.05843	3.1
163.07501	1.4
163.09729	1.5
163.11145	1.0
181.02815	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.1323
Annotation	Trinoranastreptene
Peak:m/z	Relative Intensity
53.03931	2.3
53.92082	0.7
55.01868	0.8
55.05504	7.6
56.05031	0.8
65.03926	1.7
67.05498	9.4
69.07056	10.5
69.85115	0.5
69.85462	4.7
73.43681	0.6
74.06054	1.9
76.81888	0.7
79.05487	13.0
80.05029	0.9
81.07050	16.8
83.08608	1.3
91.05470	50.9
92.05779	0.9
93.07033	15.3
93.33447	0.6
95.04971	3.6
95.08594	4.1
96.94144	0.7
97.02864	1.0
98.06007	0.7
102.05510	0.7
103.05449	4.0
104.06238	1.1
105.07020	91.6
106.06603	0.7
106.07310	1.6
107.04961	0.8
107.08574	5.4
115.05441	2.9
116.07072	0.6
117.07008	14.5
118.04171	1.0
119.08567	100.0
120.06568	1.3
120.08110	6.9
120.08936	2.3
122.54001	0.7
128.06229	0.9
131.08551	6.3
132.09344	3.0
133.06494	4.0
133.10112	45.7
134.06087	1.4
134.09627	2.1
134.10522	1.2
143.08563	1.2
144.08092	1.1
146.03642	2.1
146.07237	0.8
146.10899	1.9
159.11714	2.4
161.05954	4.2
161.07065	0.8
161.09624	8.0
161.13243	77.8
162.05446	4.1
162.09100	15.4
162.13603	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	161.0596
Annotation	2,3-Dihydroxynaphthalene
Peak:m/z	Relative Intensity
51.02393	0.6
53.03938	2.8
54.96115	0.4
55.01868	5.7
55.05510	0.5
65.03926	1.0
66.04717	0.8
67.05505	0.5
69.03425	1.0
71.15778	0.9
73.02904	0.5
74.06063	1.2
77.03903	0.4
78.93115	0.8
79.05483	19.2
80.05819	0.4
81.03408	0.5
81.07064	1.0
82.05316	0.4
82.07859	0.4
84.08140	0.7
85.02887	0.8
89.03909	0.5
90.04691	1.0
91.05476	7.5
93.04506	1.2
93.07022	0.7
93.74226	0.4
95.04966	5.6
97.02875	1.2
101.95023	0.5
102.04661	1.0
103.05454	21.4
104.05753	0.5
105.04528	1.1
105.07018	100.0
106.06620	0.8
106.07354	3.1
107.04955	1.6
107.06075	0.5
113.00600	0.4
113.02330	0.8
113.42005	0.4
114.01371	1.0
115.05444	28.1
115.61680	0.4
116.05804	1.0
117.07009	1.5
118.04147	10.8
118.06543	1.0
119.04944	0.9
119.06829	0.5
119.08585	2.9
119.95736	0.6
120.05634	0.8
120.06492	0.5
120.08108	3.3
121.06386	2.7
125.02330	0.8
125.23226	0.3
128.06282	0.7
130.04123	1.3
131.04935	4.0
132.05658	1.1
133.06476	40.8
133.10085	2.8
133.68259	0.4
134.05940	0.7
134.06929	2.0
134.09634	0.7
137.96881	0.6
143.06032	4.7
143.08539	0.7
146.03609	6.4
146.07321	0.7
147.04376	2.4
161.05959	24.4
161.08179	2.3
161.09604	5.7
161.13214	2.2
162.05284	1.8
162.06589	1.1
162.09111	4.8
165.54187	0.4
181.81560	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0595
Annotation	2,3-Dihydroxynaphthalene
Peak:m/z	Relative Intensity
50.31179	0.2
50.67189	0.2
51.02355	0.5
53.03942	2.5
55.01868	5.1
55.05530	0.2
55.51295	0.2
59.04992	0.3
59.49189	0.2
65.03925	0.4
66.04714	1.4
67.05502	0.4
69.03429	0.7
71.01358	0.3
71.26039	0.5
73.02909	0.2
74.06071	0.6
77.03923	0.6
78.04700	0.3
78.67680	0.2
78.93104	0.7
79.05486	20.2
80.05028	0.3
80.05821	0.3
81.03419	0.5
81.07045	0.6
82.04203	0.3
83.01321	0.2
85.02907	0.4
87.04482	0.3
89.03905	0.8
90.04694	2.5
91.05473	5.9
92.02620	0.6
93.04520	0.6
93.07025	0.7
94.04193	0.5
95.04960	5.1
97.02866	0.5
101.02377	0.3
102.04679	0.5
102.05547	0.3
103.05459	24.8
104.05807	0.8
105.07021	100.0
106.06636	0.3
106.07347	2.8
107.04285	0.2
107.04955	1.0
113.00616	0.3
113.02349	0.4
114.01378	0.7
115.05443	28.9
116.04945	0.2
116.05786	0.9
117.07021	1.0
118.04150	15.6
118.06516	0.9
119.04992	0.2
119.06851	0.5
119.08582	2.5
119.95784	0.5
120.05592	0.9
120.06561	0.3
120.08095	2.0
121.06392	1.1
128.06235	0.4
131.04915	5.8
131.08495	0.3
132.05794	1.2
133.06479	42.5
133.10075	1.5
134.03613	0.3
134.06906	1.5
134.09639	0.5
137.96873	0.4
143.04965	0.5
143.06027	4.6
143.08525	0.6
146.03609	9.5
146.07297	0.6
147.04309	0.3
148.24683	0.2
149.06017	0.3
155.98135	0.3
161.00880	0.4
161.05963	31.2
161.08186	1.1
161.09508	2.5
161.13248	1.8
162.05348	0.5
162.06439	1.1
162.09087	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0596
Annotation	2,3-Dihydroxynaphthalene
Peak:m/z	Relative Intensity
51.02357	0.3
53.03941	2.7
55.01625	0.5
55.01866	5.2
56.05035	0.5
65.03926	1.0
66.04707	1.8
67.05501	0.5
69.03413	0.7
70.99900	0.8
74.06082	0.8
77.03865	0.7
79.05484	19.9
80.04971	0.4
80.05804	0.5
81.03410	0.6
84.04512	0.5
84.08125	1.9
85.02913	0.5
89.03899	1.3
90.04686	3.1
91.05475	6.1
92.02621	1.0
93.04495	0.4
95.04954	5.4
97.02895	0.9
101.94992	0.4
102.04681	1.2
102.05534	0.3
103.05457	24.6
104.05783	0.6
105.07018	100.0
106.06613	0.5
106.07344	3.2
107.04944	0.9
107.06053	0.4
113.02363	0.6
115.05441	29.4
116.05776	0.8
117.07036	0.7
118.04150	19.5
119.05002	0.4
119.06862	0.4
119.08572	1.9
120.05582	0.9
120.06501	0.4
120.08083	1.2
121.06358	1.4
128.06213	0.7
130.04132	0.6
131.04919	4.7
132.05670	1.3
133.06477	47.9
133.10062	1.9
134.06921	2.2
137.96852	0.5
143.04971	0.7
143.06018	3.6
143.08499	0.3
144.06496	0.5
146.03618	1.2
146.07298	0.3
147.04439	0.8
149.06061	0.4
150.56480	0.3
161.05971	12.6
161.08179	1.5
161.09601	2.9
161.10687	0.3
161.13231	1.2
162.05373	0.7
162.06563	0.6
162.09091	3.3
162.10260	0.5
170.74597	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0596
Annotation	2,3-Dihydroxynaphthalene
Peak:m/z	Relative Intensity
51.02388	0.4
53.03948	2.6
53.46672	0.3
55.01871	5.1
56.28288	0.3
65.03925	0.5
66.04718	0.5
70.69482	1.1
77.03920	0.9
79.05487	18.3
89.03908	0.7
89.69434	0.3
90.04684	1.5
91.05470	5.9
94.72770	0.3
95.04964	4.8
102.04678	0.6
102.68917	0.4
103.05462	22.7
104.05790	0.8
105.04542	1.1
105.07022	100.0
106.07362	2.7
107.04961	0.8
115.05446	27.7
116.05791	1.0
118.04153	7.5
119.08581	0.9
120.05603	0.5
120.08116	0.5
121.06376	0.7
131.04895	3.5
132.05727	1.0
133.06480	40.8
134.06873	1.0
143.04932	0.5
143.06021	5.4
144.08063	0.4
146.03635	3.4
149.06041	0.4
161.05965	11.3
161.08180	0.6
161.09604	1.3
161.13243	0.6
162.05463	0.7
162.06746	0.4
162.09123	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0597
Annotation	2,3-Dihydroxynaphthalene
Peak:m/z	Relative Intensity
53.03939	3.6
53.72680	0.4
55.01867	7.2
55.05490	0.5
56.05035	0.5
59.06122	0.6
65.03962	0.5
66.04718	1.0
67.05492	0.5
69.03427	1.1
71.74559	0.7
73.02901	1.0
74.06065	1.1
77.03901	0.6
78.93128	0.8
79.05486	22.7
80.05003	0.5
80.05820	0.6
81.03407	0.6
81.07048	0.9
82.05280	0.5
84.04488	0.9
84.08145	2.3
85.02899	1.3
87.04437	0.5
88.37816	0.4
89.03903	1.0
90.04684	3.1
91.05470	6.9
92.02588	0.5
93.04509	1.0
93.07072	0.5
95.04959	5.9
97.02903	1.6
101.07126	0.4
101.95005	0.8
102.04685	1.1
102.05518	0.5
103.05455	25.8
105.03381	1.1
105.04492	1.1
105.07020	100.0
106.06646	0.6
106.07352	3.0
107.04945	1.2
107.06058	0.8
113.02349	1.1
114.01363	1.2
115.05444	28.5
116.05750	1.1
116.07054	0.5
117.07014	1.5
118.04150	15.6
118.06557	0.6
119.05004	0.4
119.06866	0.5
119.08576	3.0
120.05592	1.2
120.06555	0.8
120.08078	3.5
121.06400	2.2
125.02293	0.6
128.06207	0.7
130.04109	1.2
131.04904	5.5
131.08495	0.4
132.05699	1.4
133.06474	47.6
133.10112	3.5
134.05975	0.8
134.07002	2.4
134.09628	0.7
137.96811	0.6
143.04962	0.9
143.06017	5.8
143.08527	0.9
144.06610	0.5
144.08032	0.4
144.10176	0.5
146.03600	3.0
146.07277	0.7
147.04372	1.8
149.06007	0.5
157.20955	0.4
161.00992	0.9
161.05959	19.2
161.08176	2.4
161.09583	6.2
161.13229	2.1
162.05414	2.1
162.06714	0.9
162.09068	4.8
184.20866	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0294
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96555	0.3
60.00642	0.2
69.03410	0.2
70.08610	0.8
74.08070	0.2
82.01413	0.2
82.99806	0.9
93.06969	0.2
98.97570	0.4
100.02470	0.5
100.97203	0.2
101.00862	14.7
101.95012	0.3
102.00926	1.5
102.96855	0.5
103.00616	0.2
103.05492	0.2
105.06999	0.4
116.98599	0.5
118.03481	0.5
119.01905	100.0
120.01984	7.5
120.97884	0.6
121.01625	1.0
121.02414	0.2
121.64333	0.2
124.02407	0.4
125.02528	0.2
129.38019	0.2
133.03481	0.2
133.10130	0.2
133.98065	1.1
136.04597	0.2
136.48367	0.6
137.02940	38.9
138.03023	2.9
138.04163	0.3
138.98938	0.2
139.02580	0.3
142.03470	3.9
142.04543	0.2
142.98599	0.2
143.01889	0.3
143.03612	2.6
144.03172	0.9
145.48872	1.8
150.19414	0.2
157.03365	0.2
160.04529	1.3
161.02943	2.9
161.04655	2.6
161.09569	0.4
162.04317	0.7
162.09152	0.2
179.03996	5.1
179.05661	0.6
180.04088	0.4
180.05470	0.3
182.34970	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0294
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	0.1
56.96549	0.4
57.03428	0.2
58.99849	0.2
60.00628	0.2
61.13428	0.1
62.70808	0.1
68.53208	0.1
69.03408	0.1
69.30150	0.1
70.02870	0.4
70.03273	0.2
79.05460	0.1
82.99809	0.9
88.07642	0.1
91.05470	0.1
98.97559	0.3
100.02484	0.3
100.97192	0.2
101.00864	14.9
101.95019	0.5
102.00931	1.4
102.96852	0.5
103.00625	0.1
103.02429	0.1
105.06999	0.6
107.22096	0.1
116.98607	0.4
118.03496	0.6
119.01906	100.0
119.08616	0.3
120.01996	8.1
120.97887	0.4
121.01656	1.5
121.02383	0.4
124.02422	0.3
133.03458	0.2
133.06505	0.2
133.10109	0.2
134.99721	0.1
136.02686	0.1
136.04518	0.3
137.02943	42.4
138.03027	3.2
138.98895	0.2
139.02698	0.4
142.03484	4.0
143.01836	0.2
143.03677	2.9
144.03191	1.3
157.03470	0.3
160.04555	1.4
161.02945	3.3
161.04607	2.6
161.09598	0.5
161.13257	0.1
162.03123	0.2
162.04285	1.4
162.05508	0.1
162.09097	0.1
179.03986	5.2
179.05626	1.0
180.05319	0.4
184.04504	0.1
184.06145	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	160.0967
Annotation	Turicine
Peak:m/z	Relative Intensity
51.59789	0.9
53.03927	1.9
55.01859	3.7
55.05506	5.8
56.05027	9.6
56.96553	3.7
57.03423	3.7
57.04557	5.9
58.02957	1.1
58.06580	3.6
59.04997	1.9
59.06108	4.0
60.04507	2.0
61.02912	1.6
61.36921	1.1
66.96492	1.0
67.01857	1.0
67.04257	1.1
67.05502	1.3
68.05022	6.4
68.99794	1.2
69.03423	6.3
69.03752	1.0
69.07066	5.5
70.06587	83.0
71.01357	1.1
71.04995	1.2
71.06916	6.8
71.43974	1.9
72.04512	2.8
72.07281	1.1
72.08150	11.1
73.02905	4.7
74.02435	14.9
74.06052	2.7
74.07175	1.6
79.05485	41.9
80.19603	1.0
81.07036	1.6
82.06572	3.3
83.04974	1.9
84.04491	9.0
84.07643	1.8
84.08136	25.8
84.57549	1.0
85.02885	4.2
85.07652	1.5
86.06063	14.5
86.09700	6.3
87.04465	14.5
88.03990	1.4
88.07612	3.0
89.00763	1.2
89.46542	1.1
91.05453	2.7
91.23481	1.1
92.01279	1.1
92.04991	1.1
95.04957	1.1
96.04483	2.8
96.08122	100.0
97.02870	4.3
97.06533	7.5
97.08453	1.5
98.06065	2.5
98.09719	4.9
98.97581	1.5
99.04432	1.2
100.03973	2.5
100.07606	6.3
101.00893	4.1
101.02428	1.8
101.07108	1.1
102.05538	1.6
102.09177	8.1
103.02428	1.4
103.03925	1.1
103.05456	1.3
104.07093	3.8
105.07032	8.1
107.04960	2.7
112.07590	3.4
113.02355	3.1
113.07142	1.7
114.03738	6.5
114.05522	14.5
114.09158	81.6
115.03973	1.2
115.05422	7.3
115.08694	1.5
115.09480	2.0
116.07064	2.5
116.98627	2.6
117.05752	3.8
117.07000	1.3
118.06552	5.4
118.07380	1.0
119.01908	18.7
119.08607	1.6
124.03949	1.4
124.07513	1.3
125.05973	6.4
125.07027	2.3
128.02261	1.8
129.02464	1.6
130.06477	1.1
130.08629	5.0
131.01857	1.3
131.07390	1.1
132.04419	1.9
132.08067	7.1
133.06487	4.4
133.10146	3.0
137.02940	4.4
138.03067	1.1
142.00919	1.0
142.02118	1.6
142.03490	2.6
142.08626	37.8
142.09674	1.7
143.01901	2.2
143.03415	2.0
143.11714	1.1
144.06506	4.8
144.10228	1.6
145.03471	2.4
146.03586	1.9
146.99599	1.3
153.00714	1.1
160.04173	6.4
160.06110	2.4
160.07600	32.3
160.09685	68.2
160.10847	10.0
160.13319	5.5
160.14485	2.9
161.02919	5.6
161.04176	1.0
161.05917	3.2
161.07040	1.8
161.09735	3.9
161.12868	3.0
165.00606	1.0
173.02989	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	160.0967
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59789	0.9
53.03927	1.9
55.01859	3.7
55.05506	5.8
56.05027	9.6
56.96553	3.7
57.03423	3.7
57.04557	5.9
58.02957	1.1
58.06580	3.6
59.04997	1.9
59.06108	4.0
60.04507	2.0
61.02912	1.6
61.36921	1.1
66.96492	1.0
67.01857	1.0
67.04257	1.1
67.05502	1.3
68.05022	6.4
68.99794	1.2
69.03423	6.3
69.03752	1.0
69.07066	5.5
70.06587	83.0
71.01357	1.1
71.04995	1.2
71.06916	6.8
71.43974	1.9
72.04512	2.8
72.07281	1.1
72.08150	11.1
73.02905	4.7
74.02435	14.9
74.06052	2.7
74.07175	1.6
79.05485	41.9
80.19603	1.0
81.07036	1.6
82.06572	3.3
83.04974	1.9
84.04491	9.0
84.07643	1.8
84.08136	25.8
84.57549	1.0
85.02885	4.2
85.07652	1.5
86.06063	14.5
86.09700	6.3
87.04465	14.5
88.03990	1.4
88.07612	3.0
89.00763	1.2
89.46542	1.1
91.05453	2.7
91.23481	1.1
92.01279	1.1
92.04991	1.1
95.04957	1.1
96.04483	2.8
96.08122	100.0
97.02870	4.3
97.06533	7.5
97.08453	1.5
98.06065	2.5
98.09719	4.9
98.97581	1.5
99.04432	1.2
100.03973	2.5
100.07606	6.3
101.00893	4.1
101.02428	1.8
101.07108	1.1
102.05538	1.6
102.09177	8.1
103.02428	1.4
103.03925	1.1
103.05456	1.3
104.07093	3.8
105.07032	8.1
107.04960	2.7
112.07590	3.4
113.02355	3.1
113.07142	1.7
114.03738	6.5
114.05522	14.5
114.09158	81.6
115.03973	1.2
115.05422	7.3
115.08694	1.5
115.09480	2.0
116.07064	2.5
116.98627	2.6
117.05752	3.8
117.07000	1.3
118.06552	5.4
118.07380	1.0
119.01908	18.7
119.08607	1.6
124.03949	1.4
124.07513	1.3
125.05973	6.4
125.07027	2.3
128.02261	1.8
129.02464	1.6
130.06477	1.1
130.08629	5.0
131.01857	1.3
131.07390	1.1
132.04419	1.9
132.08067	7.1
133.06487	4.4
133.10146	3.0
137.02940	4.4
138.03067	1.1
142.00919	1.0
142.02118	1.6
142.03490	2.6
142.08626	37.8
142.09674	1.7
143.01901	2.2
143.03415	2.0
143.11714	1.1
144.06506	4.8
144.10228	1.6
145.03471	2.4
146.03586	1.9
146.99599	1.3
153.00714	1.1
160.04173	6.4
160.06110	2.4
160.07600	32.3
160.09685	68.2
160.10847	10.0
160.13319	5.5
160.14485	2.9
161.02919	5.6
161.04176	1.0
161.05917	3.2
161.07040	1.8
161.09735	3.9
161.12868	3.0
165.00606	1.0
173.02989	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.1167
Annotation	(1,2,3-Trimethyl-2-cyclopropen-1-yl)benzene
Peak:m/z	Relative Intensity
53.03940	1.0
55.05498	1.2
56.96561	0.8
57.03436	0.9
57.07079	1.0
58.07402	0.8
59.93085	0.4
65.03946	0.7
67.05495	8.5
68.04976	0.5
70.06592	1.1
70.34046	1.8
71.05004	0.7
72.04502	0.4
76.93359	6.3
79.05027	0.7
79.05484	11.5
81.07046	9.3
84.08149	0.5
91.05473	26.0
91.53711	0.5
92.05811	0.9
93.07037	4.8
94.94418	1.6
95.04958	1.1
97.53759	0.8
100.02470	1.1
102.02200	0.4
102.09146	1.1
103.05466	1.2
103.09503	1.3
105.07018	24.1
106.07378	0.5
113.02351	1.2
115.05447	4.7
116.06230	2.1
117.07006	62.1
117.95985	4.3
118.03490	0.7
118.06503	1.0
118.07221	0.8
118.07835	1.4
118.96762	1.0
119.08594	2.9
127.06814	0.5
128.06171	0.8
129.07001	8.1
130.07799	5.2
131.08553	89.9
132.08897	4.0
135.65089	0.4
135.96988	3.3
136.07233	0.6
138.57637	0.5
141.01805	3.4
141.06952	0.5
142.07730	0.6
144.05730	1.0
144.09325	7.4
157.10112	4.9
158.98601	0.5
159.08174	3.1
159.11676	100.0
159.15736	3.7
160.07533	1.3
160.12039	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	159.1168
Annotation	(1,2,3-Trimethyl-2-cyclopropen-1-yl)benzene
Peak:m/z	Relative Intensity
50.12756	0.4
51.02393	0.4
51.59227	0.4
53.03941	0.5
55.01868	0.5
55.05510	0.8
65.03936	0.5
67.05505	4.0
70.06579	0.9
71.04993	0.5
71.72845	0.4
71.73239	0.7
72.04488	0.5
72.92459	0.4
74.06051	0.4
76.93365	3.6
79.05492	4.7
81.07049	4.3
87.04455	0.4
91.05469	19.3
93.07034	1.3
94.94408	1.3
95.04969	0.6
95.57151	0.3
103.05447	1.7
104.90595	0.4
105.07021	17.3
106.07352	0.5
113.02372	1.7
114.05501	0.5
114.09172	1.0
115.05447	8.4
116.06231	3.3
117.07012	49.2
117.95963	3.1
118.06585	0.6
118.07343	1.5
119.08577	5.5
128.06212	1.4
129.06985	13.8
130.06776	0.8
130.07784	16.0
131.04938	1.1
131.08557	77.5
132.04372	0.5
132.08046	0.7
132.08888	3.1
135.96988	2.5
141.01811	6.1
141.07008	1.3
142.07744	0.9
143.08578	0.7
144.05724	2.8
144.08235	0.9
144.09332	13.0
145.06320	0.5
145.09772	0.5
157.10091	2.7
158.98610	0.6
159.02934	0.5
159.04396	0.7
159.08098	7.0
159.11681	100.0
159.34872	0.4
160.07579	1.5
160.09723	0.5
160.12050	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	160.0454
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05021	0.3
56.96556	0.5
58.06607	0.2
58.99849	0.4
59.06115	1.2
59.93110	1.0
60.00637	0.3
60.04520	0.5
70.94114	0.6
77.00900	0.3
77.94157	0.6
82.01456	0.3
82.99847	0.8
83.06095	0.5
84.04485	0.4
85.07630	0.3
85.58654	0.3
86.06056	0.3
87.41267	0.2
94.19056	0.2
97.07662	0.4
98.97588	0.6
99.97897	0.4
100.02464	2.1
101.00865	15.2
101.07178	0.3
101.21307	0.2
101.95022	0.7
102.00943	0.3
105.04579	0.2
105.07020	0.5
116.98642	0.6
117.98933	0.3
118.03506	7.8
118.06536	0.7
118.09984	0.2
118.96765	3.5
119.01906	100.0
120.02024	2.5
120.03236	0.6
121.01607	2.0
121.02391	0.4
124.02425	2.0
129.27753	0.2
130.25775	0.2
132.08054	0.3
133.10124	0.3
136.02766	2.7
136.04533	6.7
136.95453	0.2
137.02946	39.4
137.97070	0.3
138.03069	0.9
139.02692	0.8
142.03484	36.6
143.03745	1.5
143.08189	0.3
154.03758	0.4
154.96498	1.3
160.04543	38.5
160.07486	0.8
160.11995	0.4
161.02911	1.3
161.04614	1.8
161.09451	0.4
165.05116	1.5
174.06375	0.3
177.98114	0.3
178.05592	12.2
179.03975	2.8
179.05426	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	160.0756
Annotation	Indoleacetaldehyde
Peak:m/z	Relative Intensity
54.03444	0.2
55.01869	0.3
65.03911	0.2
67.04243	1.8
69.96677	0.6
69.97089	0.3
72.08152	0.2
77.03914	0.2
79.05482	0.4
82.02921	0.2
82.47534	0.1
86.24413	0.1
91.05472	0.8
94.04124	0.3
98.20766	0.2
103.05442	0.2
104.05022	0.2
105.07029	4.6
107.04957	0.3
115.05450	16.3
116.04972	0.4
116.05785	0.3
117.05753	9.8
117.06947	0.7
118.06519	0.6
119.01892	0.3
130.06525	1.1
131.04919	0.7
131.07329	0.9
132.08084	18.2
133.05238	1.1
133.06480	3.8
133.08427	0.5
134.05989	0.2
140.04936	0.2
142.06514	3.6
143.07292	2.5
144.04491	0.2
144.05652	0.2
145.05246	0.4
146.05966	0.4
159.06792	3.7
160.07570	100.0
161.05954	0.3
161.07930	3.5
177.37500	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	158.0923
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	1.0
56.05025	1.0
56.96564	3.6
58.06590	2.4
60.05645	1.2
62.47671	0.5
64.79413	0.5
67.05501	0.9
68.05016	1.1
70.06585	100.0
70.33416	2.3
71.04986	4.9
71.06915	3.2
72.04483	0.6
72.08152	3.5
80.05009	1.6
81.03394	0.6
82.06573	1.5
84.07648	1.1
84.08136	17.8
84.08645	1.1
85.06516	0.7
85.07663	2.2
86.06048	0.6
89.10784	0.9
95.06066	2.9
95.08591	0.7
96.04478	0.9
97.06437	0.8
97.07619	1.0
98.06046	19.7
98.09685	3.8
98.97569	11.8
99.01955	0.7
99.04446	2.2
99.06858	3.1
99.92522	0.6
101.00867	0.7
108.04472	6.4
110.07166	0.9
112.07590	15.0
112.08715	66.2
113.07138	6.0
113.09064	1.5
114.05537	1.2
115.08685	3.4
116.07082	17.7
116.98609	12.7
119.01917	0.8
121.01684	2.0
130.08646	0.8
134.99641	8.4
139.02739	0.7
140.07071	1.2
141.06590	5.9
144.03276	1.0
153.00714	1.0
158.01227	1.0
158.08098	9.0
158.09239	88.7
158.11748	3.6
158.15355	1.8
159.07625	2.1
159.09544	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	159.0287
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	2.1
56.05022	0.9
57.42430	0.6
59.06115	0.6
61.02924	2.7
68.99782	4.6
70.06600	1.0
71.01350	2.0
71.06918	1.4
71.75951	1.0
73.02904	2.4
76.93356	3.0
79.05497	0.8
85.02870	1.7
87.00821	100.0
88.01153	1.5
89.03901	1.8
91.05471	24.1
92.05839	0.7
98.97574	2.3
103.05460	1.8
104.05025	0.8
104.05792	0.8
105.01849	9.0
105.07035	3.3
108.74194	0.6
111.46769	0.6
113.02356	2.9
115.03966	1.0
115.05445	5.5
116.04971	80.6
117.01844	83.4
117.05714	3.9
117.07016	4.7
117.95975	2.4
118.02160	2.1
118.06534	21.4
119.08572	1.4
129.01810	0.9
129.06993	2.1
130.04070	0.8
130.06525	1.2
130.07643	0.6
131.04900	2.2
131.05956	0.9
131.06902	1.3
131.08551	6.9
132.04453	1.7
132.05635	1.0
132.07237	0.9
132.08095	10.0
134.15225	0.7
134.99696	0.8
135.02873	4.9
135.83276	0.6
135.97026	1.9
141.01822	9.5
142.06470	2.3
144.05666	1.8
144.06799	2.5
144.09320	2.8
158.04408	1.1
159.02882	13.1
159.04276	1.0
159.06541	4.3
159.08012	4.6
159.09154	40.2
159.11632	10.4
160.05200	1.0
160.07567	4.1
160.09509	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.0915
Annotation	1,5-Naphthalenediamine
Peak:m/z	Relative Intensity
51.93587	0.4
55.01846	0.6
56.05024	2.3
56.96561	1.6
57.03449	0.7
58.02958	0.5
58.06594	0.5
59.06121	2.1
60.04512	0.9
62.57438	0.5
67.05512	0.5
68.05036	0.7
69.31823	0.4
70.06590	1.6
70.09215	2.1
71.06092	0.5
71.06935	1.0
72.04514	0.8
74.06070	0.4
76.04005	0.6
76.93363	1.0
77.55850	0.4
81.04525	0.5
83.06091	0.5
84.04497	1.5
85.07696	0.5
86.06075	0.9
91.05473	1.6
93.05779	0.6
95.06087	0.6
96.04504	0.7
98.97573	3.3
99.05590	1.0
100.03968	0.7
102.05547	0.6
103.05437	0.6
105.07007	2.1
111.05514	0.5
113.02358	1.9
113.07121	1.6
113.07856	0.6
114.05522	0.8
115.05450	27.4
116.04969	1.1
116.05737	0.7
116.98602	3.7
117.01959	0.5
117.05749	15.7
117.07014	1.1
117.95966	0.9
118.06542	6.7
118.96754	1.8
129.06999	0.9
130.06520	27.7
131.04924	0.9
131.06813	3.3
131.08519	2.3
132.08075	100.0
133.08423	2.9
134.99638	3.1
140.04919	1.0
141.01816	4.3
141.06578	0.6
142.06506	47.3
143.07104	1.7
143.11935	0.4
144.09320	1.1
152.31946	0.5
153.96655	0.5
158.08362	1.4
159.09157	81.4
159.11687	3.6
160.07562	17.2
160.09535	2.6
161.07988	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	158.0812
Annotation	Unknow
Peak:m/z	Relative Intensity
54.51771	0.2
55.01868	0.3
55.05507	0.7
56.05037	1.7
56.96563	2.6
57.03419	0.5
57.04550	0.2
57.07061	0.3
57.93557	0.7
58.02950	0.3
58.06591	0.7
59.06123	1.4
60.04526	1.0
61.01142	0.3
67.05503	1.0
68.05030	0.7
69.03416	0.6
69.07070	0.6
70.06585	100.0
71.04988	0.6
71.06099	0.2
71.06911	1.8
71.22826	0.4
71.23135	0.2
71.95260	0.4
72.04510	0.7
72.08141	0.8
72.93788	0.2
74.02430	0.3
74.06065	0.5
75.05608	0.3
75.94579	0.4
76.00235	0.2
76.02216	0.8
76.03984	0.2
76.93349	0.2
79.34520	0.2
81.03410	0.3
81.04512	0.2
83.06081	1.2
84.04506	2.2
84.08137	3.3
85.02900	0.6
85.07664	0.3
86.06050	0.5
86.09724	0.4
87.04461	0.2
87.05577	1.3
91.05489	0.3
94.06564	0.3
95.04961	0.4
95.06076	0.8
95.08607	0.2
96.04482	0.9
97.02910	0.3
98.06042	1.8
98.07158	0.3
98.09685	3.7
98.97574	8.6
99.04443	0.5
99.05569	3.8
99.09203	0.2
100.03970	0.4
100.07568	0.4
101.07165	0.3
102.05518	0.5
102.09167	0.6
103.05457	0.3
110.05900	0.2
110.07151	0.4
111.09196	0.2
112.07592	33.5
112.11246	0.5
113.00581	0.6
113.02367	0.4
113.05968	0.4
113.07102	0.9
113.07942	0.7
114.05510	0.5
114.09149	0.3
116.05325	0.5
116.07079	18.5
116.97285	2.7
116.98601	10.3
117.06644	0.4
117.07433	0.3
119.01920	0.5
123.04509	0.2
126.09093	0.3
130.06500	0.8
130.08640	0.3
131.04951	0.2
131.08488	0.3
131.99550	0.3
134.02962	0.2
134.99646	7.3
135.03079	0.2
140.00154	0.4
140.07092	1.9
140.08081	0.3
140.14331	0.5
141.01851	1.5
141.03651	0.4
141.06557	0.6
141.10153	0.4
149.06493	0.2
152.96933	0.8
153.00697	1.4
158.01213	0.6
158.04391	0.4
158.06168	1.3
158.08084	3.8
158.09496	4.0
158.11612	0.9
158.12852	0.3
158.14095	0.3
158.15392	5.0
159.02890	0.2
159.07700	0.5
159.11641	0.5
159.15652	0.2
161.02884	0.3
170.97983	0.3
175.98520	0.3
177.00804	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	158.0811
Annotation	UNII-218WD6K9H0
Peak:m/z	Relative Intensity
53.03942	0.4
55.01870	0.3
55.05510	0.8
56.05031	4.0
56.96555	1.6
57.03419	0.3
57.07073	0.5
57.93568	0.4
58.02954	0.3
58.06596	2.7
59.06126	1.0
60.04513	0.6
61.01157	0.6
67.05499	0.7
68.05034	1.0
69.03425	4.0
69.07061	2.3
70.02935	0.4
70.06586	100.0
70.87181	0.7
71.05007	0.5
71.06108	0.5
71.06924	1.7
72.04510	0.9
72.08147	1.1
74.02428	0.8
75.41209	0.3
76.00231	0.4
76.02214	1.7
79.05486	0.3
80.05015	0.4
81.03406	0.7
81.04594	0.4
81.07063	0.6
82.06580	0.5
83.04975	0.4
83.06106	1.0
83.08608	0.3
84.04490	1.7
84.08131	4.4
85.02888	0.3
85.06548	0.5
86.06067	0.6
86.09703	1.7
87.05597	1.2
88.02190	0.4
88.07650	0.3
94.06569	0.8
95.04967	0.8
95.06110	0.7
95.08588	0.4
96.04480	2.2
96.08131	0.5
97.02906	0.3
98.06054	2.4
98.09686	4.8
98.21277	0.3
98.97575	3.7
99.05578	1.0
99.09188	0.4
100.03990	0.3
100.07620	0.6
102.05549	1.6
102.09177	0.6
103.05496	0.3
104.03439	0.3
111.09229	0.4
112.07596	34.9
112.08817	0.9
112.11227	7.4
113.00597	1.1
113.02357	0.5
113.05991	0.4
113.07121	0.8
113.07968	0.8
114.05512	0.5
114.09153	0.3
116.05332	0.8
116.07079	16.2
116.97221	1.0
116.98611	2.7
123.04343	0.3
130.06508	2.7
130.08623	0.4
131.08485	0.3
134.99664	3.2
140.07057	1.7
140.08112	0.6
140.10716	0.7
141.01817	0.8
141.03699	0.5
141.06531	0.3
141.10176	0.4
153.00633	0.3
158.04393	0.5
158.06172	2.4
158.08119	4.9
158.09569	4.1
158.11714	3.7
158.12906	0.5
158.15413	2.7
159.11699	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	157.0496
Annotation	(1R,6S)-1,6-Dihydroxycyclohexa-2,4-diene-1-carboxylate
Peak:m/z	Relative Intensity
51.85685	0.3
53.03945	1.9
55.01865	2.1
55.05510	2.8
56.05031	1.7
56.96558	1.0
57.03442	1.5
57.93555	1.2
58.06586	0.6
59.04983	0.5
59.06112	1.0
60.04524	4.7
65.03954	1.4
67.01855	0.6
67.05498	1.0
68.02642	5.5
68.05024	0.6
68.99793	0.5
69.03428	2.5
69.04515	0.5
69.07063	2.6
70.02952	0.4
70.06593	3.8
70.07481	1.5
70.95849	1.2
71.04991	0.6
71.95895	0.7
72.04509	0.9
72.08144	0.5
72.93791	1.4
73.93826	0.7
74.06066	1.2
74.93826	3.9
75.05568	0.4
79.01852	1.3
79.05472	1.1
81.03413	1.4
81.07050	5.5
82.02936	0.4
83.01350	1.4
83.04974	14.8
83.06059	1.7
83.08594	0.5
84.04497	1.0
84.05311	0.5
84.08145	1.4
84.80552	0.3
86.09698	2.1
87.04462	1.4
87.05586	1.2
88.96920	0.5
90.94819	0.5
92.94857	1.3
93.07029	1.1
95.04969	3.6
95.06099	0.4
95.08578	0.8
97.02881	2.6
97.06499	1.4
97.07629	0.4
98.03674	0.4
98.06060	0.6
98.07152	0.5
98.07968	0.3
98.09692	5.4
98.97575	3.1
99.04434	0.5
99.05582	1.0
99.08097	3.6
100.07626	0.3
101.07134	0.3
110.06021	0.3
110.07165	0.4
111.04436	52.4
111.05526	3.0
111.08048	1.3
112.03998	0.4
112.04711	1.6
112.07606	2.3
112.98716	0.3
113.05988	0.6
113.96404	0.3
115.03922	0.4
115.96439	3.5
116.07054	0.7
116.10722	1.3
116.97239	3.5
116.98595	3.3
121.02936	0.3
125.02335	0.6
128.06239	0.9
128.10730	1.5
129.01736	0.3
129.07001	1.9
130.06517	1.4
130.99878	0.5
132.95821	0.9
133.95999	1.0
133.97449	2.2
134.99654	3.5
139.03871	0.6
139.07474	0.5
139.11147	0.5
140.04674	0.6
140.08147	0.6
140.10658	0.4
141.06856	0.6
142.07787	4.3
148.96164	0.5
150.96904	1.9
151.97079	3.1
152.96956	1.6
153.00732	0.7
157.04959	100.0
157.09985	3.0
158.05153	3.0
158.08139	0.7
158.09599	3.3
158.11729	3.1
158.15335	0.6
174.98692	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	157.1223
Annotation	60046-50-6
Peak:m/z	Relative Intensity
51.76983	0.8
53.03941	2.8
55.01866	8.6
55.05507	72.6
56.05029	1.7
56.05826	1.6
56.96564	7.0
57.03438	9.5
57.07069	19.4
57.93560	6.0
59.04995	5.3
59.25404	0.8
59.98086	0.8
65.03930	1.3
67.05500	22.9
68.05012	1.0
69.03426	10.7
69.07062	100.0
70.06208	2.0
70.06586	36.1
70.07395	2.9
70.95879	0.9
71.04984	8.1
71.08626	20.1
71.35891	1.3
72.08128	1.1
72.93788	1.5
73.06554	6.3
74.06074	6.1
74.93198	7.5
74.93819	58.9
75.93607	1.1
75.94590	2.2
79.05485	26.7
80.05811	1.3
81.07046	16.4
82.07384	1.0
83.04972	77.4
83.08604	4.1
84.04488	4.2
84.05295	2.5
84.08147	1.8
85.06534	1.2
87.04469	4.3
88.07624	16.8
88.99114	0.9
91.05462	4.4
92.94857	19.8
93.07034	42.3
93.69708	0.8
93.95646	1.1
95.04951	3.5
95.08596	28.8
97.02875	3.5
97.06519	25.8
97.10157	26.4
97.10795	1.1
98.06044	3.8
98.97562	7.1
99.04430	0.8
99.05552	1.5
99.08072	5.2
100.07629	1.7
101.05990	2.2
102.09174	21.8
103.05428	1.3
105.07002	1.3
110.07180	0.9
110.95901	4.0
111.04404	5.6
111.08086	1.3
111.11687	1.6
112.07600	19.6
114.05515	1.0
115.07558	1.1
115.96429	48.2
116.07083	7.0
116.10703	2.1
116.97237	13.3
116.98579	8.8
121.10135	12.1
127.18517	0.9
128.06252	1.8
129.01860	1.0
129.07005	6.4
130.06538	2.9
133.97466	38.6
134.29335	0.7
134.99640	14.9
138.98059	1.0
139.03864	1.8
139.07542	1.0
139.11165	27.8
139.96098	0.8
139.98744	0.9
140.07031	1.6
140.11540	1.2
141.07001	1.1
141.99699	1.0
142.07751	13.5
145.03282	0.8
148.96190	1.8
150.96799	0.9
151.97028	1.5
152.96898	3.4
153.00700	2.1
156.99033	8.7
157.01326	2.5
157.04947	7.2
157.06369	1.9
157.07654	4.3
157.10114	8.7
157.12183	12.0
158.01305	1.8
158.04434	0.9
158.06007	2.2
158.08113	5.6
158.09631	25.7
158.15388	63.6
163.03917	2.6
170.97864	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	158.0811
Annotation	N-ACETYLPROLINE
Peak:m/z	Relative Intensity
55.55680	0.1
56.05027	0.4
59.06123	0.2
61.56885	0.1
68.05015	0.3
70.06586	100.0
70.80215	0.4
71.06915	1.8
72.04493	0.1
75.42537	0.1
79.81416	0.2
83.06093	0.2
84.04502	0.3
84.08143	0.3
85.48727	0.1
87.05587	0.4
98.06043	0.3
98.20992	0.2
98.97582	1.1
99.05572	0.2
102.09178	0.2
110.64112	0.1
112.07594	26.4
113.07230	0.2
113.07897	0.8
114.05535	0.1
116.07085	15.3
116.97205	0.4
116.98596	1.0
117.07434	0.3
130.06509	0.2
134.99635	0.7
140.07031	1.0
140.08058	0.3
144.09370	0.2
147.12688	0.2
151.72864	0.2
152.96921	0.3
158.08093	1.8
158.09508	0.7
158.15355	0.2
159.11823	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	157.0495
Annotation	(1R,6S)-1,6-Dihydroxycyclohexa-2,4-diene-1-carboxylate
Peak:m/z	Relative Intensity
53.03947	2.1
54.64554	0.2
55.01867	1.8
55.05500	0.9
59.36834	0.3
65.03931	1.8
67.01859	0.6
67.05470	0.5
68.02642	6.1
68.99787	0.7
69.03101	0.3
69.03411	1.7
70.06588	1.0
70.79539	0.5
70.79897	0.8
70.95845	0.5
71.04986	0.4
71.95891	0.4
72.93774	0.6
74.93840	0.6
79.01855	1.2
81.03399	1.1
83.01328	1.7
83.04971	12.9
84.05305	0.3
84.08154	0.3
84.37462	0.3
85.02964	0.3
87.04462	1.0
88.96900	0.3
95.04966	3.9
97.02908	1.8
98.21204	0.4
98.97576	0.7
99.04430	0.4
111.04433	56.0
112.04768	1.6
112.07635	0.5
113.05975	0.4
115.03924	0.3
116.97187	0.7
116.98608	0.6
125.02297	0.3
129.07019	0.3
133.96027	0.3
134.99654	0.5
142.07744	0.4
150.96822	0.3
151.97078	0.8
154.56248	0.3
157.04951	100.0
158.05305	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	156.0767
Annotation	L-Histidine
Peak:m/z	Relative Intensity
55.01875	0.2
56.05026	1.2
56.96552	0.3
68.05019	1.7
69.03396	0.1
69.04533	0.1
70.06586	0.8
70.28831	0.1
70.95863	1.4
71.18675	0.3
72.08142	0.4
72.93782	1.7
74.00656	0.7
74.06104	0.2
81.03415	0.3
81.04543	0.8
82.05315	2.8
82.06586	0.3
83.06097	12.1
83.15468	0.2
84.04506	0.3
84.08147	0.1
88.96904	0.4
90.94825	0.3
93.04520	7.9
94.04860	0.3
94.06587	0.2
95.04978	0.3
95.06082	7.9
96.04487	2.8
98.06057	0.3
98.09692	1.0
101.00884	0.2
109.06464	0.1
110.07156	100.0
111.00202	0.2
111.05562	0.8
111.06838	0.3
111.07491	2.1
111.98482	0.5
112.07578	0.1
112.08718	0.3
113.96410	0.2
119.01919	0.9
129.99530	0.2
132.02068	0.2
132.95827	1.8
133.01605	0.3
133.03413	0.3
137.02937	0.3
138.05550	0.2
138.06581	0.2
138.09102	0.2
139.05052	0.2
142.03488	0.4
150.96872	3.2
156.04823	1.5
156.07664	7.0
156.10188	0.5
156.13794	0.2
157.08017	0.2
173.98463	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	156.1018
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.2
54.03467	1.3
55.01862	3.7
55.05502	4.4
55.93515	2.6
56.05032	3.2
56.07807	0.6
56.35120	0.6
56.96570	3.4
57.03417	0.8
57.04544	1.2
57.26662	0.6
58.02954	0.9
58.06590	1.8
59.06116	2.0
60.04513	1.7
60.05636	0.6
67.02982	1.5
67.05504	2.4
68.05019	12.6
68.05363	1.3
69.03422	1.8
69.04535	1.3
69.07059	53.9
69.22171	0.6
70.02916	0.7
70.06586	8.0
70.07391	0.8
70.95856	47.1
70.98805	0.7
70.99162	1.5
71.04987	1.0
71.06104	1.2
72.04496	1.8
72.08144	3.0
72.93781	39.6
73.93835	0.8
74.00289	0.9
74.00661	10.2
74.02441	0.8
74.06076	0.9
80.05019	2.0
81.03402	1.9
81.04522	3.2
81.07050	1.1
82.05314	3.5
82.06573	6.6
83.04973	2.3
83.06093	13.7
83.08618	3.3
84.04489	2.9
84.08134	8.7
86.06059	3.0
88.07645	0.7
88.96896	11.4
89.60020	0.8
90.94812	9.5
93.04518	8.0
93.07012	1.5
94.06573	1.3
95.04971	2.5
95.06083	6.6
95.08583	0.8
96.04483	47.5
97.02873	1.2
97.04021	2.0
97.04820	1.0
97.06528	0.9
97.07632	2.1
98.06023	1.0
98.07143	1.5
98.09679	5.7
99.05564	0.9
100.03949	1.4
106.97928	1.5
108.95822	1.7
110.02376	0.6
110.06066	5.7
110.07152	87.1
110.09664	46.5
110.10307	1.0
110.97491	0.9
111.04412	2.5
111.05534	1.8
111.07475	1.6
111.09249	1.3
111.10018	1.7
111.98466	15.6
112.07558	1.4
112.11203	0.9
113.00578	2.0
113.96397	3.8
114.05495	2.0
114.06615	2.0
114.09155	1.4
114.94806	0.9
120.04411	0.8
126.09150	4.1
128.07042	2.9
128.10689	1.9
129.99507	10.2
131.97444	2.3
132.95819	45.3
133.97346	0.8
138.05469	2.3
138.06628	2.3
138.09117	1.0
138.93240	0.7
139.02083	2.2
139.04990	0.9
139.08611	1.0
142.07796	1.4
146.99570	0.8
150.96872	100.0
151.97089	2.0
155.97395	6.6
156.02858	1.2
156.04755	24.5
156.06500	3.4
156.07581	8.8
156.10181	37.5
156.11266	1.9
156.13814	1.8
157.01347	1.5
157.05029	2.5
157.07570	1.0
168.97906	4.3
173.98485	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	156.0477
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03295	0.3
53.03937	0.9
54.03453	0.4
55.01868	2.1
55.05510	0.8
55.93517	0.9
56.05028	1.8
56.96558	3.1
58.06593	0.6
58.99574	0.6
59.06103	0.5
62.14957	0.3
65.66740	0.3
67.05500	0.8
68.05023	20.1
68.66560	0.3
68.99789	0.6
69.03423	2.0
69.05373	0.5
69.07067	4.5
70.02972	0.3
70.06579	1.4
70.95859	16.3
70.99098	0.8
71.16313	0.3
72.08147	1.3
72.93365	0.3
72.93783	11.4
74.00658	19.7
74.06053	0.4
76.02206	0.5
78.03471	0.7
80.05002	0.6
81.03410	3.5
81.04534	1.0
82.05318	1.3
82.06571	1.8
83.04979	6.2
83.05628	0.5
83.06088	6.3
83.08625	0.7
84.04503	0.4
84.08135	0.9
85.01118	0.6
86.06065	0.4
86.99044	0.6
88.96896	4.1
90.94823	2.8
93.04520	3.5
93.07002	0.5
94.06535	0.5
95.05004	0.6
95.06084	4.0
95.08571	0.3
96.04482	100.0
97.01099	0.5
97.04173	0.4
97.04815	2.9
97.07607	0.5
97.99164	0.3
98.06049	0.4
98.07157	0.4
98.09686	3.4
99.01415	0.4
101.06061	0.3
108.95860	0.6
110.06087	2.6
110.07155	56.7
110.09658	7.7
111.02649	0.4
111.04417	0.7
111.05555	1.0
111.06847	0.4
111.07467	1.5
111.09179	0.6
111.98462	6.8
112.03996	0.3
113.00581	3.8
113.96394	1.2
114.03005	0.3
114.03752	1.3
114.05485	0.7
114.94741	0.5
119.01913	2.6
120.02090	0.3
122.06036	0.3
123.06804	0.5
126.09187	0.8
128.07089	0.7
128.10696	0.4
129.99532	3.6
131.97423	0.6
132.95821	18.5
133.01678	0.3
133.03448	0.6
137.02954	0.8
138.05470	1.1
138.06528	0.6
138.09114	0.4
138.75525	0.3
139.02103	2.8
142.03461	0.9
150.96872	37.8
151.97054	0.7
155.06152	0.3
155.97432	2.4
156.04764	51.9
156.07556	5.6
156.10204	4.2
156.11328	0.8
156.13808	0.9
157.01297	0.5
157.05075	2.2
168.97958	1.4
173.98480	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	155.1428
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.7
54.03469	0.3
55.01866	0.9
55.05507	3.4
55.93520	0.6
56.05023	0.8
56.86975	0.2
56.96559	0.3
57.03434	1.4
57.07068	100.0
58.06595	0.4
58.07397	2.2
59.04990	0.3
59.06118	1.0
59.92186	0.2
60.04517	0.4
65.03933	0.9
65.26053	0.2
65.60442	0.2
67.05497	5.1
68.05026	0.9
68.99753	0.3
69.03422	1.0
69.04536	0.5
69.07050	1.7
70.06580	2.5
70.88150	0.5
70.88520	0.5
70.91834	0.2
70.95856	9.4
71.01348	0.3
71.04985	2.9
71.06110	0.5
72.04498	0.5
72.08132	1.3
72.93780	39.9
73.06534	0.3
73.93818	0.5
74.04784	0.4
79.05489	1.0
81.03396	1.2
81.04543	0.4
81.07047	6.7
82.06574	1.1
82.07362	0.3
83.04975	2.4
83.06088	0.5
83.07368	0.3
84.04504	0.5
84.07671	0.3
84.08127	0.9
85.02906	0.5
85.04041	0.3
85.06534	13.0
85.07656	0.5
85.97744	0.2
86.06078	0.6
86.20464	0.2
87.05607	0.4
87.07967	0.3
88.96889	2.7
89.02411	0.3
90.06892	0.3
90.94817	10.4
91.05474	0.7
93.07037	0.7
94.06559	0.4
95.01304	0.3
95.04960	4.3
95.06076	0.5
95.08594	5.2
96.04488	0.6
96.05573	0.9
96.08170	0.2
96.08908	0.3
97.04022	0.8
97.06479	1.0
97.07652	1.1
98.07176	0.9
98.09672	0.5
98.98462	1.0
99.04444	2.1
99.05548	0.4
99.08076	0.5
106.97928	0.6
107.08514	0.3
108.08097	0.5
108.95850	1.7
109.02885	1.0
109.06522	1.8
109.07652	0.7
109.10146	3.5
110.06011	1.1
110.07156	3.0
110.09682	0.5
111.04432	2.4
111.08009	0.4
111.09219	0.5
111.98462	3.3
112.08735	1.1
112.11214	0.3
113.06010	1.9
113.07147	0.4
113.08250	1.0
113.96387	16.7
114.05521	0.4
114.06667	1.5
114.07357	0.3
114.09184	0.4
114.10296	0.7
114.96641	0.3
119.08621	0.4
122.09658	0.5
123.04410	0.9
126.09177	1.3
127.03885	2.0
127.07564	0.9
127.08582	0.3
127.09477	0.3
128.07050	0.6
129.05495	0.5
129.99496	2.3
131.97420	16.3
132.95821	8.5
132.97478	0.3
137.02390	0.5
137.05959	0.7
137.08060	0.3
137.09615	0.7
137.13202	0.5
138.05510	0.6
138.06613	1.1
139.07565	0.5
139.08595	0.4
140.04689	0.4
141.06931	1.5
149.97200	0.9
150.12785	0.4
150.96872	22.6
154.98985	2.0
155.03450	1.8
155.07036	9.2
155.08571	1.5
155.08879	1.5
155.10512	0.4
155.11781	0.5
155.12926	1.0
155.14304	4.1
155.15472	0.4
155.46930	0.2
155.97389	1.6
156.06490	0.8
156.07664	1.1
156.09128	0.4
156.10249	1.5
156.11327	0.4
168.97942	1.1
173.98463	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	155.1065
Annotation	(2E)-2,6-Dimethyl-2,5-heptadienoic acid
Peak:m/z	Relative Intensity
53.00294	1.4
53.03940	2.0
53.34307	0.8
55.01859	1.9
55.05506	31.5
55.93518	1.1
56.05035	2.2
57.03427	9.3
57.07070	100.0
57.30813	0.9
58.07427	1.1
59.04995	6.3
59.06117	1.6
65.03925	3.7
67.05498	88.6
68.05017	1.9
68.05827	2.0
69.03423	4.0
69.07064	12.1
70.06578	2.1
70.95860	11.7
70.98655	0.8
71.01346	20.7
71.04985	77.7
71.19197	1.2
71.19561	1.9
72.08145	1.6
72.93782	50.9
79.05488	9.0
81.03423	1.8
81.04520	1.2
81.07049	57.5
82.06593	1.8
82.07372	1.7
83.04967	8.7
83.06121	1.3
83.08641	1.9
84.05292	1.6
85.02896	2.2
85.06538	12.6
86.06053	0.8
88.96897	4.1
90.94821	13.5
91.05479	5.5
93.07030	11.7
95.04963	19.9
95.06121	1.3
95.08595	64.6
95.47841	0.9
96.05630	1.6
96.08069	1.3
96.08913	2.1
97.05550	1.0
97.06512	3.5
97.07606	1.0
98.07137	1.9
98.98447	3.0
99.04446	51.2
99.08052	4.5
100.04726	0.9
101.06011	1.7
107.08582	5.6
108.33533	1.1
109.02855	1.4
109.06507	8.8
109.10147	97.5
110.06042	2.4
110.07153	2.6
110.10496	3.1
111.04418	4.6
111.08071	7.5
111.98470	4.5
112.08685	1.1
113.06000	10.4
113.08244	1.2
113.09624	1.9
113.96392	24.3
114.06667	2.1
119.08568	2.6
123.04422	1.7
126.09171	3.2
127.03892	2.0
127.07541	2.6
127.11130	1.0
128.07097	1.4
129.07025	0.9
129.99478	3.0
131.97418	16.9
132.95827	12.0
137.02338	1.1
137.06042	1.3
137.09581	10.4
138.06599	2.9
149.97174	1.8
150.96878	31.6
154.99008	1.9
155.03410	3.2
155.07040	8.4
155.08186	2.0
155.10628	11.5
155.14282	4.7
155.97356	1.6
156.10213	1.6
161.56349	1.0
173.98463	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.1178
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38591	0.5
53.03939	1.9
54.03474	0.8
54.71445	0.5
55.01865	2.3
55.02986	0.7
55.05505	9.9
55.93519	3.8
56.05035	2.9
56.05848	0.6
56.96554	1.8
57.03436	1.5
57.04552	1.0
57.07061	1.7
58.06588	1.1
59.04852	3.1
59.06117	2.3
59.70479	0.5
60.04532	1.3
60.05645	1.9
65.03928	3.1
65.06116	2.8
67.02976	1.0
67.05503	13.1
68.05016	3.8
68.99799	0.6
69.03426	3.9
69.04558	2.1
69.07069	4.8
69.96162	1.3
70.02943	0.7
70.06283	0.4
70.06585	29.4
70.19785	2.2
70.95857	33.2
71.01344	0.6
71.04976	3.2
71.06105	6.1
71.06915	1.2
71.94088	0.6
72.04527	1.4
72.05632	0.9
72.06891	2.7
72.08141	7.2
72.93782	100.0
73.02927	0.6
73.06426	1.7
73.93829	0.9
74.04813	0.9
78.06878	0.7
79.05483	5.6
80.05015	4.1
81.03424	3.2
81.04518	2.5
81.05786	0.7
81.07051	8.9
82.05299	0.6
82.06573	4.6
83.04975	7.8
83.06091	2.3
83.08616	1.3
84.04502	1.5
84.05621	0.9
84.06883	0.7
84.07693	0.8
84.08140	5.5
85.02906	1.3
85.06558	2.3
85.07658	2.6
86.06065	1.9
86.06699	0.7
86.07168	3.8
86.09702	1.8
87.05583	1.3
87.07960	6.6
88.03989	0.6
88.96894	12.7
89.02399	0.7
90.06852	2.9
90.94817	30.1
91.05469	4.4
91.94852	0.6
92.05791	0.7
93.04489	0.9
93.05756	0.6
93.07026	6.4
94.06567	2.7
95.04963	15.3
95.06082	2.0
95.07362	0.7
95.08592	5.4
96.04490	0.9
96.05606	2.2
96.06911	0.7
96.08129	1.7
97.02898	1.1
97.04006	2.3
97.06530	3.0
97.07639	5.8
98.06075	1.2
98.07204	2.5
98.09686	3.9
98.98488	3.0
99.04448	5.0
99.05558	2.2
99.09202	0.7
100.07623	0.9
101.07098	0.6
104.08430	2.4
105.04513	1.7
105.07021	0.8
106.97932	2.4
107.08596	2.4
108.05610	1.1
108.08109	7.0
108.95862	6.1
109.02893	4.7
109.04035	0.7
109.06535	4.2
109.07699	2.6
109.08885	1.7
109.10130	5.5
110.06044	3.2
110.07176	6.6
110.09710	3.5
111.04438	6.5
111.05571	2.5
111.06252	0.6
111.08077	2.4
111.09180	3.3
111.98464	13.9
112.01575	1.4
112.05103	0.8
112.07597	0.8
112.08722	4.2
112.11279	0.7
113.02408	1.2
113.05997	6.5
113.07151	1.9
113.08235	2.1
113.08984	0.7
113.10725	0.6
113.96391	37.5
114.05519	1.5
114.06641	5.2
114.09143	0.6
114.10289	6.5
114.94871	0.8
115.08678	0.7
116.07059	0.6
118.09975	1.6
119.06976	2.4
120.05595	1.4
120.08068	2.5
122.09657	9.5
123.04412	5.5
123.46417	0.5
124.11266	0.8
125.02322	0.9
126.07912	2.0
126.09126	3.4
127.03915	7.0
127.07542	2.7
127.08660	2.1
127.09576	1.7
128.06227	0.7
128.07079	1.6
128.08145	1.3
129.05466	2.1
129.06989	4.6
129.99507	9.3
130.09769	1.1
131.96246	1.9
131.97421	38.0
132.95819	28.9
133.08655	2.6
133.12302	1.4
133.13557	1.0
133.58846	0.9
134.09451	4.8
135.11722	0.7
136.11249	1.8
137.02364	1.8
137.05975	4.8
137.07005	1.2
137.07997	1.5
137.09641	1.9
138.05496	1.5
138.06607	4.2
138.09102	1.1
138.10170	0.9
138.12764	1.2
139.05032	0.9
140.04642	1.8
140.09439	1.9
140.59685	0.7
141.10277	0.9
147.09113	1.0
148.11232	1.0
149.97169	5.3
149.98337	0.7
150.00742	1.0
150.12772	8.3
150.96877	82.2
151.13254	1.2
152.14317	2.5
153.01064	0.8
154.99022	3.8
155.03394	7.0
155.06035	0.6
155.07051	16.2
155.08171	1.6
155.09132	4.4
155.10600	0.7
155.11777	2.8
155.12936	2.5
155.97415	6.1
156.06509	1.9
156.07918	4.5
156.10181	5.9
156.11348	0.9
158.09171	0.6
164.11772	0.6
164.14348	0.6
168.97948	4.1
172.98752	0.8
173.98466	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	155.0603
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02390	0.5
53.03935	0.8
55.01875	0.5
55.05510	1.4
55.61417	0.2
55.93525	0.5
56.05035	0.2
56.71181	0.2
56.96562	0.6
57.03437	0.4
59.06123	0.3
64.63308	0.2
65.03931	0.4
67.05502	2.6
68.05029	0.5
68.99796	0.3
69.03414	0.9
69.07061	0.4
69.96175	0.3
70.06594	0.4
70.95859	3.6
71.04980	0.6
71.06081	0.2
72.04523	0.5
72.08149	0.4
72.53641	0.2
72.93782	40.7
73.93831	0.5
74.06095	0.2
76.93324	0.2
77.03938	0.3
77.94673	0.2
79.05491	0.5
81.03411	0.8
81.07056	1.9
82.06574	0.9
83.04978	2.4
83.06130	0.2
83.07358	0.3
84.08127	0.5
85.02893	0.5
85.06526	0.4
86.06046	0.3
88.96880	1.2
90.94817	12.4
91.05471	0.7
91.94875	0.3
93.07034	0.3
95.04958	3.2
95.06052	0.3
95.08585	1.0
96.05617	0.5
97.06516	0.3
98.07137	0.3
98.98460	1.3
99.04449	1.2
106.97966	0.4
108.95858	3.2
109.02872	0.9
109.06503	1.4
109.07643	0.5
109.10139	0.8
110.02405	0.4
110.06036	1.3
110.07177	1.1
110.09661	0.4
111.04436	2.4
111.05553	0.3
111.98483	1.3
112.01563	0.4
112.08714	0.7
113.05994	1.8
113.96390	19.3
114.05500	0.3
114.96618	0.3
116.68425	0.3
119.04918	0.6
119.08579	0.2
123.04445	0.6
126.09122	0.4
127.03880	1.6
127.07552	0.8
128.04959	10.3
128.07062	0.6
129.04477	0.8
129.05396	0.8
129.99461	1.1
131.97424	20.4
132.95816	3.5
132.97594	0.6
134.01057	0.2
137.02353	0.4
137.05968	1.2
137.06967	0.3
138.05493	0.5
138.06544	0.3
141.06976	0.2
146.05968	1.9
149.97256	1.3
149.98334	0.3
150.96883	9.9
153.06993	0.3
154.99014	3.1
155.03494	2.2
155.06020	100.0
155.12859	0.9
155.97394	0.7
156.06432	5.7
156.07715	0.5
156.10194	0.8
167.98193	0.2
168.97922	0.5
173.98471	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.0814
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.5
55.01865	1.6
55.05504	2.4
55.93505	2.5
56.05030	1.7
56.96552	4.5
57.03424	0.6
57.04548	0.6
58.06596	0.7
59.06110	1.3
60.04528	0.6
65.03939	1.4
67.02984	3.7
67.05494	2.9
67.09441	0.4
68.05021	2.6
69.03430	1.4
69.04540	0.9
69.05804	0.7
69.07063	0.6
69.71489	2.5
69.96169	3.6
70.02953	0.6
70.06585	14.0
70.95857	31.3
71.01356	0.4
71.04986	0.4
71.93024	0.4
71.94096	1.3
72.04504	0.8
72.08165	0.6
72.93780	39.7
74.00655	0.7
74.02450	0.4
74.06067	0.6
75.05580	0.5
79.05487	0.5
80.04996	0.8
81.03412	2.4
81.04536	1.5
81.07053	2.2
82.05302	1.0
82.06571	24.0
83.04974	3.0
83.06089	2.6
83.06886	0.6
84.04501	0.9
84.08138	1.4
85.02885	0.8
85.04035	0.4
85.06512	0.7
86.03713	0.4
86.06085	0.8
87.60400	0.3
88.96893	9.2
90.94816	11.0
91.05465	0.4
93.03405	0.4
93.04509	1.9
93.07032	0.5
94.06566	0.5
95.04967	2.1
95.06074	2.1
95.08604	1.1
96.04485	3.8
96.05582	0.6
97.02885	0.6
97.04004	0.8
97.06456	0.7
97.07633	0.9
98.06058	0.9
98.07160	1.1
98.09695	1.9
98.97555	1.0
98.98460	1.6
99.04441	1.6
99.05589	0.5
100.07603	53.1
101.07951	1.1
106.97892	1.0
108.95836	1.8
109.02873	2.8
109.07626	100.0
109.10132	1.3
110.02374	0.5
110.06075	2.0
110.07169	18.6
110.07943	3.2
110.09680	1.8
111.04435	4.0
111.05571	0.9
111.09148	0.7
111.98464	11.0
112.01568	1.1
112.07590	0.5
113.00652	0.8
113.02290	0.4
113.06026	2.0
113.07104	0.5
113.08247	0.5
113.96382	8.6
114.05528	0.5
114.06644	1.8
114.94769	0.5
116.98615	0.5
119.01939	0.5
126.09180	0.8
127.03909	3.6
127.07542	1.3
128.07060	90.5
129.07391	2.5
129.99496	5.9
131.01862	0.9
131.96136	5.1
131.97424	7.0
131.99677	1.1
132.95818	28.8
137.02321	0.6
137.05934	1.0
137.06999	0.4
138.05475	1.2
138.06609	1.2
138.09145	0.6
140.04640	0.5
149.97180	13.7
149.98393	0.9
150.00703	0.9
150.96867	70.3
153.01070	0.5
154.90724	0.7
154.98958	0.8
155.03377	2.3
155.04527	0.7
155.06992	4.7
155.08167	4.9
155.09219	0.9
155.11798	1.0
155.97421	3.7
156.04793	1.1
156.06534	0.9
156.07672	2.2
156.10164	1.1
156.11324	0.5
167.98228	0.8
168.97935	2.5
172.95227	0.4
172.98792	0.7
173.98479	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	154.9772
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.4
54.46560	0.2
54.93831	2.2
55.05509	1.4
55.93518	0.4
56.05034	1.1
56.96561	18.3
57.04529	0.4
58.99868	0.9
59.06114	0.6
60.04517	0.5
63.92631	0.3
65.03931	0.6
67.01860	1.0
67.05490	1.6
68.05032	0.5
69.03437	0.5
69.84742	0.9
69.85159	0.7
69.96172	23.9
70.06581	0.6
70.95858	6.8
71.04982	0.4
71.94093	9.5
71.95255	0.5
72.04516	2.4
72.93784	13.2
74.97597	0.4
76.30308	0.3
77.00515	0.3
77.00889	1.4
79.05472	0.4
80.04984	0.2
81.03396	0.7
81.04525	0.6
81.07059	0.8
82.05276	0.3
82.06577	0.5
83.04985	1.9
83.06067	0.5
84.04458	0.4
87.97211	1.6
88.96899	2.3
89.95118	1.2
90.94817	4.3
90.95929	0.3
91.05469	0.7
93.07028	0.4
95.01949	1.0
95.04952	1.3
95.06060	0.4
95.08620	0.8
96.03019	0.4
96.05634	0.5
97.03998	0.6
97.06401	0.4
97.99185	0.3
98.07181	0.5
99.04442	0.9
100.02460	2.4
101.00860	1.4
102.02253	0.4
103.02431	0.8
104.01999	0.3
105.02215	0.3
105.07088	0.5
105.32080	0.3
106.97932	0.5
108.95844	0.9
109.02877	1.0
109.06508	0.6
109.07646	0.5
109.10147	0.9
110.06045	0.3
110.07159	0.5
110.98785	1.1
111.04433	1.6
111.05516	1.0
111.98481	2.5
112.01571	0.5
112.05184	0.4
112.07588	0.3
112.96699	0.3
113.00860	1.1
113.05986	1.1
113.95099	1.2
113.96390	4.2
113.98650	3.5
114.04003	2.0
114.06646	1.0
115.01200	0.4
115.02415	0.9
115.05433	0.9
116.00198	0.4
116.04629	0.3
117.04000	1.2
117.05504	0.3
117.07004	4.9
118.03526	2.4
119.01907	8.9
119.03656	0.3
119.08549	0.3
119.97294	0.3
120.02061	0.4
121.03458	0.8
121.05726	0.7
122.02982	0.5
126.06026	0.3
127.03876	2.0
127.07536	0.6
128.06212	1.1
128.97824	0.5
129.03964	0.5
129.06976	1.4
129.99496	1.9
130.06264	10.5
130.56357	0.7
130.97707	0.3
131.01897	10.4
131.96141	35.0
131.97395	4.4
131.99680	8.8
132.02078	2.8
132.05055	43.2
132.95813	5.9
132.96744	0.5
133.01677	0.9
133.03491	5.3
133.04527	1.1
133.05339	0.6
134.01239	0.4
135.05057	0.9
136.04588	0.4
137.02983	3.8
137.05968	0.6
137.98363	0.7
138.00017	0.4
138.02997	0.3
138.06593	0.5
139.06781	5.2
140.04669	0.4
141.07016	0.4
141.57004	0.6
142.03471	1.1
142.07770	2.2
143.03058	0.4
143.05563	1.8
143.08563	3.4
144.06007	5.8
144.55986	0.3
145.03452	0.8
147.03757	2.1
147.04997	0.6
148.07291	1.3
148.98769	0.3
149.02956	3.0
149.06563	0.3
149.97189	100.0
150.00720	10.9
150.02492	4.0
150.06105	32.8
150.96860	16.2
151.02652	0.4
151.04480	1.9
151.06226	1.1
151.97588	0.4
153.01123	0.4
153.06511	2.0
154.03410	0.8
154.90764	0.6
154.97746	4.3
154.98946	0.4
155.01863	1.4
155.03398	2.0
155.06923	3.5
155.09305	0.4
155.56789	0.6
155.97368	0.8
155.99664	0.3
156.05055	1.9
156.07768	0.3
157.10127	0.8
161.06557	1.8
163.98822	0.4
164.57240	0.3
165.04816	1.4
167.08630	0.6
167.98257	12.2
168.01840	1.2
168.03526	1.4
168.97964	0.6
171.08057	0.6
172.98801	7.4
173.01154	0.3
173.02876	1.9
173.04190	0.6
173.07739	1.8
173.98428	1.4
174.00772	0.7
174.06107	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	153.0545
Annotation	Methyl 4-hydroxybenzoate
Peak:m/z	Relative Intensity
53.00303	0.4
53.03942	0.5
54.03462	0.3
55.01849	1.2
55.02975	0.4
55.05503	2.1
56.05029	0.6
56.96547	0.7
57.03416	0.7
59.04980	0.7
64.46951	0.4
65.03932	44.0
66.04258	1.1
67.05505	2.4
68.05006	0.7
68.12868	0.3
68.99759	0.4
69.03426	2.1
69.04535	0.6
69.07062	1.7
69.77556	2.3
69.77973	0.6
70.06580	1.7
70.94247	2.7
70.95840	0.7
71.04982	1.0
71.05383	0.3
71.94097	0.5
72.08137	0.7
79.01821	0.4
79.05483	4.9
80.05031	0.5
80.51630	0.3
81.03391	0.7
81.04545	0.5
81.07037	2.9
82.04195	0.6
83.04966	4.0
83.06079	0.8
83.07356	0.3
83.08598	0.6
84.08128	0.6
88.28600	0.4
88.95273	1.1
91.05463	2.4
93.03390	14.2
93.07040	5.2
95.04971	3.0
95.06062	1.3
95.08593	2.2
96.04462	0.4
97.02940	0.5
97.04020	0.7
97.06529	4.0
97.07679	0.4
98.03634	0.5
98.06049	0.4
98.20759	0.8
105.07005	0.9
107.04947	3.8
107.06075	0.5
107.08587	6.9
108.05601	0.7
108.08087	0.7
109.06508	1.8
109.07660	0.7
109.10145	1.9
110.03651	6.0
110.07156	1.1
111.04432	71.9
111.08030	1.9
111.09214	1.0
111.96853	1.4
112.04713	1.7
112.08723	2.8
112.96690	0.4
113.05878	0.7
116.36536	0.3
117.07024	0.5
118.06487	0.4
121.02853	100.0
122.03185	3.8
125.05981	25.2
125.06776	0.5
125.09631	1.2
126.05477	0.8
126.06328	0.9
126.09164	0.4
126.10248	0.8
129.97888	1.6
134.05989	1.5
135.04407	2.6
135.08034	1.9
135.11681	1.9
136.03923	0.5
136.07564	1.3
136.08696	0.9
137.06003	0.4
137.07164	0.4
138.03119	1.2
138.06377	0.5
139.03885	0.3
148.97343	0.6
153.01813	1.1
153.05457	16.6
153.06595	0.7
153.07465	0.7
153.09178	2.3
153.10205	0.7
153.11324	4.3
153.12727	1.8
154.04918	2.5
154.06064	0.5
154.08615	1.3
154.09647	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1272
Annotation	(+)-cis-p-Mentha-2,8-dien-1-ol
Peak:m/z	Relative Intensity
53.03946	1.7
55.01860	2.2
55.05505	13.7
56.96545	0.7
57.03437	4.9
57.07072	2.0
57.42037	0.6
59.04999	1.6
65.03934	8.0
67.05497	35.4
68.04993	0.8
68.05828	1.1
69.03422	2.6
69.07060	54.7
70.06590	0.9
70.07375	0.6
70.94243	3.7
71.04981	2.3
71.75016	1.1
71.94096	3.5
71.95250	2.5
79.05484	31.1
80.05016	1.5
80.05792	0.7
81.07045	39.9
82.07368	1.2
83.04974	8.2
83.07362	1.0
83.08610	5.6
85.02904	1.2
85.06532	2.3
88.95293	0.9
91.05462	6.0
93.03392	3.1
93.07033	50.5
94.03727	0.8
94.07328	0.9
95.04950	4.1
95.08594	19.5
97.02868	0.6
97.06030	0.5
97.06516	22.9
105.07037	2.2
107.04932	2.8
107.08578	52.2
108.04475	0.9
108.08167	0.8
108.08909	1.6
109.06499	1.5
109.10143	38.5
110.03647	3.4
110.06090	0.6
110.10496	1.6
111.04456	16.4
111.08064	8.0
111.11674	0.9
111.96883	1.4
112.04013	0.7
112.04751	1.1
112.96719	1.6
122.02381	0.6
125.05988	7.0
125.09620	1.1
126.05490	1.6
126.06323	2.3
126.09133	1.3
129.97922	1.5
133.10135	0.7
134.47757	0.6
135.04477	0.6
135.11674	100.0
136.03934	2.6
136.07547	2.8
136.12004	4.3
138.03120	2.0
138.05061	1.7
148.97346	0.6
153.01852	1.1
153.04150	1.7
153.05455	9.9
153.07472	6.5
153.09106	2.6
153.12726	81.1
154.02345	0.5
154.04889	3.0
154.08607	4.2
154.13029	3.4
154.15878	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1272
Annotation	Lyratol
Peak:m/z	Relative Intensity
53.03930	3.9
54.03454	1.9
55.01859	4.0
55.02983	1.0
55.05505	24.0
56.05016	4.3
56.96550	2.8
57.03423	3.2
57.07062	1.9
58.06585	1.9
59.05000	7.2
59.06104	1.7
65.03931	49.6
66.03403	1.0
66.04266	1.1
67.02950	2.7
67.05498	14.4
68.05033	6.8
68.96315	2.7
68.99777	1.3
69.03410	6.5
69.04536	4.1
69.05789	1.0
69.07060	14.6
70.06583	11.4
70.86969	0.8
70.94245	13.1
70.95861	2.1
71.01321	1.5
71.04612	1.1
71.04989	18.0
71.06117	1.0
71.74840	1.4
71.94083	3.7
71.95245	1.0
72.08132	5.9
73.06551	9.6
79.05483	34.0
79.15730	1.0
80.04992	4.2
80.05804	1.3
81.03409	2.4
81.04520	4.4
81.07044	50.4
82.04105	1.0
82.06563	3.4
82.07381	1.7
83.04974	33.8
83.06096	4.7
83.07345	3.6
83.08590	4.0
84.04488	1.8
84.05624	1.4
84.08127	3.6
85.02890	2.3
85.07653	2.8
86.06062	1.9
87.04438	3.5
87.05566	1.1
88.95287	5.4
91.05467	12.0
93.03400	11.2
93.07031	32.8
94.06568	2.6
95.04956	44.9
95.06042	8.5
95.08596	9.3
96.04520	2.1
96.05594	1.1
96.06891	1.3
96.08115	1.2
97.02874	2.7
97.06520	21.2
97.07609	3.8
97.35384	0.9
98.06065	2.3
98.07170	1.2
99.05637	1.0
105.06993	3.3
106.96306	1.8
107.04943	12.8
107.06039	1.8
107.08579	37.0
108.04428	1.9
108.05581	2.9
108.08099	3.1
108.08824	1.2
109.02857	1.9
109.06504	7.4
109.07624	8.3
109.10138	10.7
110.03632	11.2
110.06037	2.0
110.07195	4.7
110.07851	1.3
110.09682	1.2
111.04430	100.0
111.08064	11.3
111.09206	7.8
111.96864	4.4
112.04780	2.8
112.07599	1.8
112.08717	10.0
113.05880	8.8
113.07125	1.9
118.06535	1.3
119.06019	2.1
121.02823	3.8
124.08688	1.5
125.05977	35.1
125.06940	1.3
125.07917	1.6
125.09611	4.3
126.05495	2.6
126.06367	1.9
126.09172	6.9
126.10248	5.0
129.97072	1.1
129.97862	5.9
130.96236	2.2
134.05983	1.4
135.04401	9.2
135.05391	1.5
135.06433	1.5
135.08058	6.5
135.11673	16.7
136.03940	3.4
136.04980	1.9
136.07555	11.3
136.08669	7.7
137.06049	1.2
137.07079	1.8
137.10698	2.0
138.03108	4.1
138.06697	1.2
139.03882	22.9
142.33147	1.0
143.03310	1.0
148.97314	8.9
152.99469	1.4
153.01845	5.2
153.04105	1.1
153.05453	25.9
153.06619	3.1
153.07550	3.2
153.09076	9.3
153.10283	1.5
153.11316	26.8
153.12709	12.9
153.13847	1.6
154.04944	8.6
154.06195	5.9
154.08601	13.9
154.09731	6.8
158.58824	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0406
Annotation	Xanthine
Peak:m/z	Relative Intensity
53.03948	1.2
54.03469	0.8
55.01864	1.4
55.02986	3.5
55.05499	2.7
56.05024	1.8
56.96568	3.1
57.03430	1.7
57.04530	0.5
58.06578	0.8
58.99546	0.5
59.04988	1.0
60.04495	0.6
60.69155	0.5
65.03933	19.7
67.02963	1.3
67.05500	4.2
68.05014	3.4
68.96334	2.7
68.99770	1.3
69.03416	4.6
69.04539	1.3
69.07051	4.3
70.06583	5.3
70.94247	3.9
70.95855	0.6
71.01347	0.9
71.04972	0.9
71.74021	0.6
71.94081	0.8
72.08151	2.0
78.60092	0.6
79.01846	1.2
79.05482	9.3
80.05006	2.6
81.00919	1.3
81.03416	2.1
81.04527	5.0
81.07043	3.7
82.04061	2.9
82.04869	0.6
82.05328	0.7
82.06568	1.9
83.02429	1.0
83.04971	6.5
83.06081	2.0
83.08629	0.6
84.04509	1.4
84.08143	3.2
85.02903	0.7
85.07648	0.6
86.06049	1.2
86.97382	1.2
87.04417	1.0
88.95278	1.2
91.05476	2.7
92.04961	0.9
93.03389	5.6
93.07035	4.9
94.06561	1.8
95.04967	4.1
95.06095	2.2
95.08584	2.6
96.04473	0.6
96.05605	0.8
96.08131	1.3
97.02880	2.5
97.04014	1.3
97.06520	7.0
97.07632	1.4
97.08447	0.5
98.06046	1.1
99.05571	0.8
105.06973	0.7
107.04946	7.2
107.06091	1.2
107.06917	0.6
107.08585	5.8
108.01971	1.3
108.04476	1.3
108.05603	1.2
108.08110	2.2
109.02905	0.9
109.06512	3.2
109.07634	2.4
109.10153	2.9
109.98927	1.2
110.03523	53.9
110.06059	1.9
110.07173	1.2
111.04436	40.9
111.05584	1.0
111.08079	2.9
111.09204	2.2
111.96866	1.3
112.04871	0.7
112.07588	1.1
112.08718	1.5
113.05868	7.7
113.07098	0.8
116.07110	0.8
121.02882	2.0
124.07759	0.5
124.08711	0.6
125.02342	2.0
125.05988	15.3
125.07051	2.4
125.07912	0.8
125.09625	1.5
126.05492	2.4
126.06604	1.3
126.07688	0.5
126.09164	3.2
126.10022	0.7
127.05013	1.0
127.99982	0.7
128.04555	9.7
129.97906	1.2
130.96313	2.4
135.03021	0.9
135.04381	2.0
135.05386	0.6
135.06369	2.2
135.08038	2.1
135.09140	1.2
135.11685	1.7
136.01405	47.8
136.04950	0.8
136.07561	3.0
136.08588	1.4
137.01729	0.6
137.06004	0.6
137.10721	0.6
138.03134	0.8
142.88417	0.5
144.52728	0.6
148.97342	8.6
153.01958	3.3
153.04079	100.0
153.05428	11.2
153.07600	2.4
153.08943	3.6
153.10141	4.4
153.11359	2.3
153.12697	3.9
154.02458	73.1
154.04955	9.9
154.06094	1.0
154.08623	2.5
154.09767	1.8
154.13400	0.9
155.02814	1.5
171.98972	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	152.0704
Annotation	L-Phenylglycine
Peak:m/z	Relative Intensity
53.03927	0.9
54.03460	1.1
55.01852	0.9
55.05493	1.4
56.05026	2.3
56.96552	2.6
58.06586	1.0
60.05619	0.3
65.03934	6.7
66.03440	0.5
67.02971	0.6
67.05494	2.5
68.04685	0.4
68.05023	5.5
69.03417	1.0
69.04545	1.3
69.07052	1.6
70.06587	7.6
70.94238	1.4
70.95833	0.6
71.02489	0.3
71.02833	0.8
71.04988	0.5
71.06092	0.5
72.04504	0.5
72.08143	0.8
79.05484	16.5
80.05002	3.1
80.05808	0.7
81.03401	1.6
81.04527	2.9
81.05770	0.8
81.07051	1.4
82.05302	0.7
82.06569	3.7
82.07355	0.6
83.04966	2.6
83.06090	4.2
84.04486	0.9
84.08121	2.3
85.02906	0.6
85.03973	0.4
85.07671	0.5
88.95290	0.4
91.05488	1.8
92.05804	0.6
92.65260	0.4
93.03367	1.8
93.04524	0.8
93.05792	0.5
93.07028	1.6
94.06549	4.2
95.04958	2.6
95.06080	3.2
95.06612	0.5
95.07341	1.2
95.08572	1.0
96.04491	2.7
96.05617	0.7
96.06835	0.8
96.08125	5.4
96.08772	0.5
96.08889	0.4
97.02877	1.0
97.03975	0.4
97.06535	2.5
97.07630	6.5
98.06046	0.4
98.07168	0.4
105.04494	0.4
106.06542	100.0
107.01276	0.5
107.04944	3.7
107.06076	2.5
107.06878	2.8
107.08549	2.0
108.04485	3.1
108.05614	0.6
108.08071	1.8
109.02863	0.6
109.05241	0.8
109.06489	1.0
109.06846	0.5
109.07625	8.6
109.10152	1.0
110.03598	1.3
110.06047	2.3
110.07204	2.0
110.08416	0.9
110.09722	0.5
110.10429	0.5
111.04429	13.5
111.05531	2.1
111.08028	0.8
111.09180	4.4
111.96854	0.9
112.06348	1.3
112.08782	0.6
112.09990	2.6
113.05851	2.6
121.02867	0.6
122.07145	0.6
123.04453	0.6
123.05500	0.5
123.06792	0.5
123.08018	0.4
123.09180	0.7
124.02164	0.8
124.03939	1.4
124.04800	0.5
124.07578	4.3
124.08617	1.3
124.11237	0.5
125.05981	5.8
125.07074	1.9
125.09671	0.7
125.10713	1.0
126.05503	0.5
126.06616	0.4
126.10260	0.4
128.02261	0.4
128.98592	0.8
129.97874	0.7
134.06010	26.4
134.07071	3.0
134.09628	0.4
135.04408	1.8
135.05533	1.8
135.06427	0.7
135.08061	1.1
135.09166	4.7
135.11607	0.4
136.08632	0.6
137.05971	0.4
146.97292	0.5
146.99609	2.5
151.03938	0.7
152.01643	3.5
152.03328	1.7
152.04439	0.7
152.05690	2.3
152.07050	12.6
152.08159	4.8
152.10670	5.3
152.11821	8.2
153.01906	0.8
153.04089	1.3
153.05470	4.3
153.07631	1.2
153.09050	0.9
153.10213	2.3
153.11356	2.2
153.12749	1.1
161.01123	0.4
170.01236	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	152.0705
Annotation	L-Phenylglycine
Peak:m/z	Relative Intensity
52.35691	0.6
53.03938	2.6
53.54205	0.5
54.03454	0.8
55.01856	1.7
55.02983	0.7
55.05495	2.4
56.05035	4.1
56.96558	6.4
57.03433	0.9
58.02945	0.8
58.06582	1.1
59.04981	0.7
65.03931	15.7
66.03461	0.6
67.02971	1.0
67.05187	0.6
67.05491	3.8
68.05019	7.3
68.99782	1.5
69.03415	2.8
69.04532	1.8
69.07065	3.2
70.06581	10.9
70.94245	1.6
71.74423	1.2
72.08124	1.3
79.01850	0.7
79.05485	22.9
80.05012	6.8
81.03396	2.8
81.04535	3.5
81.05802	1.2
81.07040	4.3
82.06570	4.8
82.07381	0.9
83.04980	4.3
83.06091	4.6
84.04482	1.5
84.08145	5.2
85.02895	0.9
85.04008	0.6
85.07648	0.6
91.05460	1.9
92.05000	0.9
92.05808	0.9
93.03413	3.9
93.05814	0.6
93.07031	4.1
94.06580	6.2
94.07195	0.7
94.07396	0.7
95.04963	4.1
95.06065	3.6
95.07331	1.2
95.08572	1.8
96.04485	5.1
96.05686	0.8
96.06866	1.1
96.08128	11.6
96.08843	0.8
97.02879	1.2
97.06515	3.9
97.07649	6.6
98.97653	0.9
105.07037	0.7
106.06544	100.0
107.04950	9.2
107.06083	3.5
107.06874	3.2
107.08575	3.8
108.04480	5.6
108.08101	2.3
108.08806	0.6
109.05243	1.7
109.06494	2.3
109.07624	10.8
109.10155	1.6
110.03631	3.7
110.06050	4.5
110.07148	2.0
110.08424	1.2
111.04432	29.9
111.05581	2.8
111.08049	1.6
111.09189	5.7
111.96869	1.0
112.06316	2.1
112.09978	2.6
113.05872	5.1
116.98615	0.7
119.51942	0.7
121.02872	1.4
122.06009	1.1
123.06773	1.5
124.02168	0.7
124.03963	4.1
124.04777	1.1
124.07581	8.3
124.08538	1.6
125.02374	0.9
125.05982	11.0
125.07098	2.6
125.09623	1.1
125.10741	1.1
126.06637	0.7
128.98601	2.3
129.97920	1.1
134.06006	36.5
134.07066	2.5
134.09587	1.5
134.99698	1.2
135.02927	0.7
135.04408	3.7
135.05518	2.2
135.06470	1.7
135.08055	2.3
135.09180	6.9
135.11655	1.4
146.97446	0.8
146.99634	4.9
151.03900	0.9
152.01642	7.8
152.03342	5.1
152.04478	1.4
152.05690	10.4
152.07057	27.6
152.08177	5.7
152.09607	0.9
152.10683	8.5
152.11819	10.1
153.01871	2.5
153.04070	5.1
153.05463	8.5
153.06615	1.7
153.07648	2.1
153.09114	2.3
153.10237	1.5
153.11385	1.6
153.12733	1.7
165.00716	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	152.0566
Annotation	Guanine
Peak:m/z	Relative Intensity
50.00895	0.3
55.00920	0.3
55.02988	0.5
56.96529	0.3
58.29990	0.3
65.03891	0.3
70.06561	0.4
71.21660	0.6
79.05427	0.4
82.04043	0.5
83.02461	0.3
93.28233	0.3
107.03562	0.6
107.04885	0.4
109.05119	2.2
110.03516	12.1
111.03746	0.3
128.04553	6.0
134.04599	1.2
134.05994	0.8
135.03009	18.0
136.01370	0.5
152.05661	100.0
153.04066	38.8
153.05878	2.2
154.02455	0.9
154.04510	0.8
163.62140	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	152.0567
Annotation	Unknow
Peak:m/z	Relative Intensity
55.02982	0.7
56.05030	2.6
56.96558	0.5
60.04516	0.6
63.00731	1.4
65.03927	0.2
67.05473	0.2
70.06593	0.2
71.04993	0.2
71.51629	0.4
79.05478	1.1
81.03414	0.3
82.04049	0.7
82.06537	0.3
89.02236	0.3
90.57542	0.2
90.79553	0.2
93.00857	0.3
93.03443	0.2
94.06548	0.2
96.04496	0.2
96.08119	0.6
98.97578	0.2
101.13074	0.2
102.05528	0.3
103.02440	0.2
104.05266	0.2
106.04919	0.9
106.06543	1.0
107.03535	0.3
107.04942	1.9
108.04471	0.2
109.05119	1.8
110.03517	12.3
110.06023	0.3
111.04450	0.4
124.07565	0.5
125.05995	0.3
128.04558	6.7
128.98593	0.2
134.04601	1.4
134.05998	3.2
134.06975	0.1
135.03011	13.1
135.04390	0.8
136.01387	0.5
136.03394	0.2
143.90509	0.2
146.99574	0.2
147.01379	0.2
152.05664	100.0
153.04066	35.2
153.05902	1.9
154.02519	0.9
154.04407	0.6
157.95966	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	152.0704
Annotation	(R)-Mandelamide
Peak:m/z	Relative Intensity
53.03928	2.5
54.03459	1.2
55.05483	1.4
56.05015	2.5
56.96554	3.9
57.03427	1.5
58.81846	0.7
59.06079	0.8
60.05638	1.4
65.03931	7.8
67.05486	2.9
68.05025	5.0
69.03410	1.8
69.04528	1.0
69.07053	1.9
70.02930	1.8
70.06271	0.9
70.06591	10.9
70.94228	0.8
71.04991	1.0
71.73654	0.9
72.64611	0.7
79.05486	23.3
80.05003	5.2
80.05804	1.1
81.03413	4.8
81.04512	2.2
81.05772	0.8
81.07034	3.4
82.06569	4.3
83.04959	3.5
83.06077	3.0
84.04501	1.0
84.08143	4.8
85.02928	0.9
85.07664	1.3
89.03901	1.1
91.05482	3.7
92.05791	2.0
93.03379	3.3
93.05754	1.1
93.07033	2.1
94.06554	5.3
94.27360	0.7
95.04981	5.1
95.06065	3.2
95.07359	1.1
96.04450	3.0
96.08116	6.5
97.02898	1.1
97.03941	0.7
97.06493	3.3
97.07645	4.9
98.97580	1.0
105.04529	1.1
105.30640	0.7
106.06544	37.3
106.07266	1.6
107.04943	100.0
107.08587	1.5
108.04456	4.5
108.05235	1.5
108.08067	3.2
109.02864	7.3
109.05190	1.1
109.06485	1.3
109.07627	9.8
109.10163	1.0
110.03538	3.6
110.06009	3.2
110.07136	2.5
111.04434	17.6
111.05564	1.1
111.09172	2.9
112.06329	0.8
112.09988	1.8
113.05848	2.7
116.98614	1.4
122.05992	0.9
123.04395	2.3
124.03924	2.4
124.04755	1.1
124.07591	6.3
125.05977	7.8
125.06856	1.1
125.10632	1.1
128.04597	1.8
128.98605	2.7
129.97902	0.8
134.06003	34.2
134.07016	2.1
134.09634	1.3
135.04405	63.0
135.08125	1.3
135.09154	4.4
135.11668	0.9
136.04808	1.4
146.99687	5.1
151.03876	8.8
152.01649	4.9
152.03337	2.1
152.04462	2.0
152.05667	17.4
152.07034	44.4
152.08093	3.0
152.10648	7.3
152.11804	7.8
153.01883	1.1
153.04054	7.0
153.05423	4.8
153.06554	1.5
153.07654	1.0
153.09084	1.3
154.02448	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.148
Annotation	(E)-4,8-Dimethyl-1,3,7-nonatriene
Peak:m/z	Relative Intensity
50.92694	0.3
53.03938	1.1
55.01863	1.2
55.05505	8.1
56.14178	0.3
57.03423	0.6
57.07063	1.4
65.03933	1.9
65.28139	0.3
67.05495	90.5
68.04984	0.5
68.05822	2.7
69.03414	0.9
69.07056	4.6
70.91231	0.9
70.91582	0.4
71.04989	0.4
79.05027	0.5
79.05485	8.3
81.03441	0.5
81.07045	50.2
82.07391	1.7
82.07834	0.3
83.04966	1.7
83.08601	1.1
83.17987	0.4
91.05469	5.6
93.07034	7.3
95.04962	2.8
95.08593	100.0
96.08259	0.4
96.08926	4.5
98.97559	0.4
105.07013	8.2
107.04938	0.5
107.08576	8.0
108.04523	0.4
108.52782	0.3
109.06514	2.7
109.10141	53.3
110.06036	0.4
110.10442	2.7
123.04421	0.6
123.08051	3.6
123.11694	1.2
124.07562	0.7
133.10118	6.4
134.06001	0.5
134.10445	0.6
151.02769	0.6
151.03867	1.3
151.07521	4.8
151.11153	8.2
151.12231	0.3
151.14796	9.7
152.01717	0.5
152.05692	0.7
152.07010	1.7
152.10655	0.7
152.15157	0.5
164.05771	0.3
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	Unknow
Peak:m/z	Relative Intensity
53.03931	0.4
55.02981	0.5
56.05030	1.8
56.96552	0.6
63.00707	0.8
66.92427	0.2
70.06573	0.9
71.74527	0.4
72.08122	0.4
79.05482	1.0
80.04990	0.3
81.03411	0.5
81.05769	0.3
82.04065	0.4
84.08123	0.4
93.05776	0.3
95.04958	0.4
96.08095	0.5
103.02454	0.6
106.04884	1.0
106.06521	1.3
107.03521	0.4
107.04904	0.3
109.05116	2.1
110.03515	12.2
118.29490	0.3
121.03452	0.4
124.07562	1.4
128.04552	7.3
128.98608	0.5
134.04626	1.1
134.06001	11.6
135.02998	13.2
135.06439	0.4
136.01413	0.5
146.99637	0.3
147.01363	0.9
152.05659	100.0
152.10669	0.9
153.04060	34.8
153.05878	1.7
154.02441	1.0
154.04411	0.4
170.02992	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.1116
Annotation	(-)-Carvone
Peak:m/z	Relative Intensity
50.80679	0.4
51.02362	0.5
53.03941	5.1
55.01873	1.9
55.05507	100.0
56.05840	2.7
56.99570	0.5
57.03432	1.0
57.07074	4.0
59.05004	2.9
61.47419	0.5
61.92416	0.4
65.03936	3.1
67.05499	28.2
68.05023	2.4
68.05823	1.0
68.29218	0.5
69.03424	2.6
69.04544	0.5
69.07063	5.2
69.85484	3.1
70.06587	1.0
71.04992	1.4
71.08611	0.7
79.05486	13.2
80.05016	0.9
80.05818	0.8
81.03404	2.2
81.07050	44.3
82.06565	1.4
82.07378	1.3
83.04971	1.9
83.06086	1.4
83.08605	1.2
83.83842	0.4
84.05618	0.5
84.08104	0.6
85.06548	0.8
90.56344	0.5
91.05476	14.6
91.06046	0.9
92.05777	0.7
93.03364	0.9
93.04508	0.6
93.07040	14.3
94.06564	0.5
94.07378	0.6
95.04961	16.2
95.06078	1.0
95.08597	25.1
96.04476	1.0
96.05704	1.1
96.08106	1.7
96.08932	0.6
97.06525	15.4
98.21376	0.6
103.05458	0.7
105.03375	0.5
105.07024	18.1
106.06533	1.3
106.07337	1.0
107.04933	1.1
107.08580	14.2
108.04480	0.5
108.05714	1.5
108.09398	0.6
109.05746	0.9
109.06507	20.9
109.07651	2.0
109.10152	29.6
110.03481	0.5
110.07205	5.0
110.10487	1.2
111.04424	2.1
111.07932	5.9
111.09179	0.5
117.07019	0.7
119.04922	1.1
119.06093	0.6
119.08579	1.2
121.06493	1.0
121.10120	2.0
122.07257	1.3
122.56831	0.5
123.04416	2.0
123.08063	10.9
123.09015	0.7
123.10767	0.7
123.11687	13.3
124.07563	1.8
124.08654	1.6
125.09589	0.7
131.08539	0.9
133.06509	2.2
133.10114	7.0
134.05962	1.2
134.07014	1.1
135.02968	1.3
135.09131	0.6
136.08815	1.5
148.91866	0.5
151.02823	1.3
151.03880	4.9
151.07547	7.9
151.08601	0.6
151.09790	3.9
151.11159	31.0
151.14767	1.3
152.01617	1.2
152.05641	8.7
152.07024	4.5
152.08078	0.9
152.10550	1.1
152.11662	1.6
152.14267	0.6
153.04089	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	151.148
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.1
55.01867	0.6
55.05504	8.8
57.03421	0.7
57.07055	1.6
64.35478	0.3
65.03934	2.5
67.05495	92.6
68.05825	2.8
69.03419	1.7
69.07060	5.4
70.06600	0.3
70.09254	0.7
70.09669	1.0
71.04971	0.4
71.08618	0.7
73.36990	0.3
77.45384	0.3
79.05481	10.4
80.06235	0.4
81.03416	0.9
81.07043	50.0
82.07362	2.0
83.04969	2.5
83.08615	0.9
85.10165	0.4
87.66339	0.3
91.05468	6.7
93.07027	8.8
94.07342	0.5
95.04961	3.7
95.08591	100.0
96.08927	4.5
98.21381	0.6
105.06329	0.6
105.07014	10.7
106.06528	0.6
106.07299	0.5
107.04971	0.4
107.08575	9.5
108.05725	0.9
108.08860	0.6
109.06510	3.8
109.10139	51.7
110.05963	0.4
110.10483	2.1
111.04458	0.4
123.04422	0.6
123.08054	5.3
123.11709	1.0
124.07578	0.7
131.08470	0.3
133.10114	7.1
134.05984	0.4
151.02844	1.0
151.03876	1.1
151.07518	9.0
151.08566	0.4
151.10056	0.6
151.11159	8.6
151.14786	7.9
152.01619	0.9
152.06973	2.3
152.10623	1.3
152.11661	0.5
152.15176	0.4
156.74199	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.0752
Annotation	3,5-Dimethyl-4-hydroxy benzaldehyde
Peak:m/z	Relative Intensity
53.03940	1.0
55.01871	0.6
55.05502	6.7
61.91712	0.4
65.03928	1.3
67.05499	29.2
67.74221	0.5
69.03420	6.2
71.21201	1.3
79.05492	4.9
80.97272	0.4
81.03416	0.7
81.07048	5.1
83.04971	3.0
91.05470	2.1
93.07040	6.6
95.04971	3.4
95.08595	40.6
96.08945	1.1
99.70165	0.4
103.05473	1.3
105.07021	11.5
106.07360	0.6
107.04945	1.8
108.05715	5.8
109.06515	1.1
109.10133	0.6
111.04491	0.5
111.07973	0.5
121.06491	1.6
123.08055	47.4
124.08414	1.7
133.06505	0.8
133.10135	0.9
139.10751	0.4
141.46436	0.5
151.02837	1.3
151.07526	100.0
152.01669	0.7
152.07939	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	150.0774
Annotation	9-Methyladenine
Peak:m/z	Relative Intensity
53.03937	0.2
55.01868	0.6
56.05032	24.7
56.96559	3.4
57.03426	1.2
57.04549	0.5
57.05360	0.3
58.06591	0.3
61.01147	15.6
61.02910	0.4
62.06089	0.4
65.03929	1.0
66.04269	1.3
67.05494	1.1
68.05019	0.6
69.03436	1.2
70.06586	1.7
71.04988	1.1
72.93766	0.7
73.02899	0.7
74.02430	1.8
74.06078	1.9
77.00792	0.3
79.05463	0.3
80.05002	0.6
81.03391	1.1
81.07041	0.8
82.04064	0.3
83.00764	0.3
84.04495	1.8
85.02897	1.5
86.04894	0.3
87.02682	3.4
88.07623	1.8
88.19719	0.2
90.01539	0.3
90.94799	0.4
91.05473	0.8
92.05833	0.2
93.03366	0.3
93.07037	0.6
94.04113	1.1
94.06554	1.3
95.01310	0.2
95.04961	0.8
95.06034	0.3
95.08600	0.6
96.01540	0.4
96.04482	0.2
97.02869	0.8
98.97574	0.7
100.02468	1.1
101.00771	0.2
102.02200	0.2
102.05540	4.1
103.05895	0.3
104.01277	0.3
104.05325	13.6
104.52834	0.3
105.00255	0.4
105.02052	0.4
105.07008	1.1
106.04020	0.4
106.06541	1.0
107.08566	0.5
108.04461	0.5
108.05595	0.5
109.05119	3.5
109.06508	0.5
110.01279	0.7
111.04427	1.0
112.04839	0.4
115.02420	1.2
116.98593	0.7
118.03526	1.1
119.01833	1.7
119.03573	0.6
119.04913	0.4
121.02834	0.5
121.52059	0.3
122.03192	3.0
122.04282	0.4
122.06020	1.7
122.06796	0.3
122.09608	0.3
123.01381	0.3
123.04450	1.1
123.06635	0.6
123.08049	0.8
127.03867	0.2
128.02325	1.3
131.01929	0.3
132.04417	0.5
132.10202	0.5
133.03191	9.6
133.05058	4.1
133.10165	0.3
134.03603	0.3
134.05978	0.3
134.99628	0.6
135.05336	0.5
137.02834	1.0
137.04509	0.5
139.53127	0.3
140.03384	0.3
144.99773	0.6
145.03467	2.7
146.99623	0.4
150.02679	9.6
150.05594	3.3
150.07741	100.0
151.02855	0.3
151.03917	0.8
151.06242	0.4
151.08134	1.5
151.11151	0.6
158.01143	0.2
163.04482	0.5
168.03780	0.3
168.05106	0.3
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
53.03931	2.7
54.98492	0.8
55.01856	1.7
55.05506	4.2
65.03934	57.8
66.04256	2.4
67.05497	12.5
69.07069	7.1
69.57529	2.3
69.57936	5.0
74.75912	0.8
79.05027	1.1
79.05486	22.8
81.03420	2.3
81.07046	33.3
83.08617	1.9
91.05473	12.4
93.03387	14.3
93.07038	30.1
94.03732	1.0
94.06543	1.0
95.04956	4.5
95.08584	5.5
98.03660	2.8
103.05450	1.3
105.03387	1.2
105.07026	4.1
107.04928	10.8
107.08583	24.6
108.08165	1.0
109.06503	1.9
111.04429	12.0
119.08583	1.4
120.05701	2.1
121.02855	64.3
121.03958	14.0
121.06456	2.4
121.10125	6.7
122.03197	2.8
141.66110	0.8
149.02330	100.0
149.09596	8.7
149.13234	12.6
150.02673	7.1
150.03702	1.3
150.09085	1.6
150.30975	0.9
167.03439	1.3
168.92154	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	150.0583
Annotation	Methionine
Peak:m/z	Relative Intensity
53.03942	1.0
55.01876	1.4
56.05031	100.0
56.96562	3.3
57.03437	1.2
57.05365	1.4
57.46182	0.5
58.06581	0.9
58.99564	0.6
59.04992	0.6
60.04528	0.5
61.01145	62.6
62.01490	0.7
62.06136	0.8
65.03933	2.3
66.04276	2.5
66.06371	0.4
67.05497	2.6
67.85022	0.4
68.05025	0.8
69.03411	0.8
69.07041	0.5
69.84500	2.7
70.06593	1.7
71.04992	0.9
72.04502	0.6
72.93786	1.4
73.02915	0.6
74.02433	6.7
74.06072	8.3
74.14062	0.5
74.99057	0.5
75.02688	0.9
76.39317	0.5
79.05499	2.1
80.04995	0.8
81.03412	2.7
81.07053	1.3
83.04981	0.7
84.04515	3.2
85.02892	4.0
86.06062	0.8
87.01621	0.5
87.02682	13.6
87.03220	0.9
87.04498	0.5
88.07619	2.4
89.04267	0.6
91.05489	1.9
93.03398	0.8
93.07043	0.6
94.03716	0.7
94.06554	3.0
95.01323	0.8
95.04960	2.3
95.08622	1.3
96.04476	0.7
96.08143	0.5
97.06538	0.6
98.97598	0.6
102.05532	16.6
102.06209	1.1
104.05319	54.2
105.00069	0.5
105.03738	0.8
105.05653	0.5
105.07034	2.8
106.06552	1.8
107.04929	0.5
107.07327	0.6
107.08566	0.9
108.04472	1.4
108.08096	1.2
108.95889	0.5
109.02917	0.7
109.05131	1.5
109.06519	1.3
109.10147	0.6
110.01279	1.1
111.04455	1.5
112.04817	1.0
115.02435	0.9
117.05769	0.6
119.01828	1.0
121.02838	1.1
122.03194	5.6
122.06035	4.1
122.06841	0.6
122.09637	1.2
123.04443	1.9
123.06593	0.5
123.08073	1.5
128.02304	0.8
132.06577	0.6
132.08032	0.6
132.10205	1.0
133.03178	35.2
133.05106	1.9
133.06468	0.9
133.07584	0.6
134.03526	1.5
134.99605	0.5
145.03461	4.1
146.99681	0.5
150.02669	18.6
150.03683	1.7
150.05653	7.7
150.07751	48.7
150.09099	8.3
150.11243	2.1
151.02876	0.7
151.03903	3.0
151.06218	0.6
151.07523	1.1
151.11220	1.3
159.14993	0.5
163.04538	1.1
169.03584	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1324
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72560	0.9
53.03929	2.5
55.01866	2.7
55.05498	4.3
65.03936	59.3
65.50661	1.1
66.04257	1.4
67.05508	7.1
69.07053	6.1
71.45410	2.9
75.91433	1.0
78.11797	0.9
79.05486	23.0
80.05822	1.3
81.03403	1.6
81.06608	1.4
81.07050	19.0
82.07381	1.2
83.08604	1.4
83.25711	1.0
91.05475	10.8
93.03403	13.9
93.07035	21.1
95.04951	4.2
95.08589	3.4
98.03659	2.9
103.05464	1.9
105.03370	1.3
105.07015	3.8
107.04945	12.4
107.08575	19.8
110.38889	1.0
111.03755	1.2
111.04443	10.5
119.04932	1.3
119.08556	1.4
120.05736	2.5
121.02856	60.7
121.03966	14.6
121.06497	2.4
121.10133	5.1
122.03177	3.3
127.87769	1.1
131.08563	1.4
145.91139	1.0
149.02332	100.0
149.09608	13.1
149.13251	8.6
150.02698	7.0
150.03735	1.8
150.09003	1.5
167.03413	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1323
Annotation	Hormodirene
Peak:m/z	Relative Intensity
53.03931	3.3
55.01855	2.6
55.05508	5.6
55.99385	0.9
57.28179	0.9
58.08697	0.9
58.55595	0.9
59.98693	0.9
65.03932	59.9
66.04259	2.0
67.05494	12.9
68.37918	0.9
69.07062	9.4
69.58768	8.0
79.05483	26.8
80.05788	1.4
81.03398	1.1
81.07047	33.1
83.08611	1.5
85.94641	0.8
91.05469	11.6
93.02853	1.1
93.03399	12.4
93.07037	35.6
94.07359	1.7
95.04940	3.5
95.08577	6.0
98.03675	2.6
103.05458	2.6
105.04517	1.0
105.07014	4.9
107.04971	4.3
107.08583	27.7
109.06474	1.3
111.04432	11.2
119.08584	1.1
121.02847	61.9
121.03958	15.4
121.06459	2.0
121.10120	6.8
122.03186	4.0
122.06086	0.9
122.10445	1.0
123.08029	0.9
149.02325	100.0
149.09593	3.8
149.13246	13.0
150.02681	8.5
150.09099	2.1
159.22714	1.0
167.03416	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.096
Annotation	Dehydrocarvacrol
Peak:m/z	Relative Intensity
51.02366	0.8
53.00299	0.8
53.03939	1.8
55.01868	31.7
55.05489	1.4
57.82893	0.8
61.37339	0.7
62.84587	0.9
65.03935	54.8
66.04248	1.4
67.05490	1.5
69.03406	1.4
70.19830	3.0
70.20243	1.7
76.54719	0.7
79.05485	16.0
81.07051	2.6
82.85471	0.8
91.05470	12.8
93.03405	12.1
93.07034	42.4
94.06557	0.8
94.07346	1.5
95.04957	3.7
98.03657	2.4
103.05472	2.4
104.29102	0.9
105.04488	1.0
105.07018	6.5
106.04073	1.0
107.04918	2.0
107.08574	6.4
108.04474	0.8
109.06495	0.8
109.07623	1.3
110.08400	0.8
111.04427	10.7
116.06219	1.8
119.08559	1.2
119.99664	0.8
121.02846	56.3
121.03957	12.9
121.06479	5.4
121.10125	6.5
122.03204	2.6
122.07072	1.0
129.07005	1.0
131.04945	1.3
131.08563	4.9
134.82378	0.9
137.12868	0.8
143.89886	0.9
149.02327	100.0
149.09605	38.1
150.02675	7.4
150.06633	0.9
150.10042	2.8
167.03360	0.9
167.62544	0.8
169.03438	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1323
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	3.2
55.01853	1.9
55.05498	4.7
57.07058	1.0
62.37055	0.5
65.03931	61.0
66.04257	2.4
67.05486	4.1
67.70576	0.6
68.00285	0.7
68.12605	0.6
69.07052	4.7
71.44926	0.9
71.45266	1.2
76.92120	0.5
78.03423	0.6
79.05483	18.4
80.05070	0.7
81.03468	0.6
81.06607	0.8
81.07049	11.6
82.73357	0.6
91.05463	11.6
93.03393	13.1
93.07033	33.9
94.03738	1.2
94.07362	2.0
95.04942	3.7
95.08607	3.1
98.03614	2.9
103.05444	1.6
105.04488	0.8
105.07008	5.9
107.08576	24.1
109.06498	1.3
111.04423	12.2
119.08635	0.8
121.02849	61.8
121.03957	13.6
121.06466	1.8
121.10136	8.4
122.03166	3.0
122.05946	0.7
131.04857	0.9
136.11424	0.7
136.40515	0.7
149.02324	100.0
149.09604	1.8
149.13251	7.5
150.02655	6.3
150.03716	1.2
150.05496	1.0
150.09087	1.5
167.03427	1.3
169.03337	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1324
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	2.8
55.01854	2.4
55.05491	2.9
57.07063	1.4
63.30730	0.7
65.03934	58.8
66.04250	1.5
67.05483	1.6
67.10980	0.7
68.99766	1.6
69.07050	3.4
71.01536	1.0
71.01923	1.8
79.05482	7.4
81.04516	0.9
81.07043	6.2
83.83198	0.6
90.04008	0.6
91.05465	11.1
93.03396	14.3
93.07036	17.5
95.04942	2.7
95.08573	0.7
98.03671	2.8
102.72476	0.8
103.05435	4.1
103.12357	0.6
105.07017	13.1
107.04954	0.9
107.08580	16.5
108.04544	1.1
108.75008	0.7
109.06489	1.6
109.07619	0.8
110.08406	0.8
111.04440	12.7
119.08588	3.7
121.02855	61.3
121.03964	14.4
121.06506	3.7
121.10135	33.4
122.03181	2.8
122.06056	0.7
122.07152	1.9
122.10497	1.7
123.08039	3.1
131.08536	1.1
133.10115	1.0
134.10902	1.2
149.02330	100.0
149.05975	2.3
149.08398	1.2
149.09583	6.9
149.13246	5.6
150.02618	6.6
150.03613	0.8
150.05531	1.0
150.09116	1.7
150.10228	1.2
167.03360	2.0
169.03450	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	149.1323
Annotation	Hormodirene
Peak:m/z	Relative Intensity
52.60462	1.0
53.03932	4.3
55.01853	1.9
55.05504	7.3
65.03934	61.8
66.04260	2.2
67.05501	21.0
69.07061	13.1
71.55482	1.6
79.05487	38.6
81.07047	60.9
82.07384	2.0
83.08610	3.1
91.05471	19.8
93.03391	11.4
93.07036	59.3
94.07371	1.7
95.04969	4.3
95.08589	9.8
98.03642	2.8
105.04483	1.2
105.07031	5.7
105.34656	1.1
107.04953	9.7
107.08585	44.5
108.08931	1.7
109.06521	2.0
111.04427	12.1
112.99801	1.1
119.08567	1.3
120.05794	1.2
121.02850	62.0
121.03962	16.3
121.06462	1.4
121.10131	11.8
122.03194	4.3
131.04895	1.3
149.02328	100.0
149.09676	5.8
149.10666	1.3
149.13239	29.7
150.02643	7.0
150.03706	1.2
150.05540	1.4
150.09076	1.6
150.13602	2.4
157.98798	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	148.0966
Annotation	(4S)-4-Hydroxy-L-isoleucine
Peak:m/z	Relative Intensity
51.67424	0.7
55.01863	1.0
55.82612	0.7
56.05015	3.6
57.03063	0.7
57.03431	0.8
57.07069	11.7
58.06591	1.5
58.99572	2.9
60.04544	0.9
64.06145	0.8
65.03932	37.8
67.05498	20.1
68.05839	0.9
69.05774	0.9
71.04975	0.8
71.46031	1.7
72.08150	1.9
73.40408	0.7
74.02431	32.9
77.02124	0.7
77.38474	0.7
79.05446	1.0
84.04495	33.2
84.08132	54.3
85.01115	1.2
85.02927	0.9
85.04836	2.8
85.06535	100.0
85.08457	1.6
86.06853	3.9
86.99053	1.6
88.04009	1.0
88.07599	1.0
91.05466	3.8
92.05795	4.0
93.03397	7.7
93.07016	1.6
94.79889	0.7
95.04933	1.7
98.03654	2.5
98.21072	1.4
102.04901	0.8
102.05517	5.6
102.09171	25.7
103.05438	1.4
111.04424	7.7
112.07591	0.9
116.85474	0.8
119.04897	1.2
120.04472	2.4
120.05288	4.4
120.08099	1.9
121.02866	44.0
121.03971	8.7
121.06499	1.6
130.04999	2.2
130.08643	2.5
133.22533	0.7
148.03911	3.0
148.04927	1.2
148.07562	3.1
148.08618	1.2
148.09694	3.1
149.02330	82.5
167.03362	1.5
169.03450	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0596
Annotation	3-Isochromanone
Peak:m/z	Relative Intensity
51.02354	1.1
53.03945	5.7
55.01844	2.0
65.03932	50.1
66.04264	1.8
67.05482	1.1
70.99745	2.9
79.05483	45.1
91.05459	15.4
93.03396	14.0
93.07031	32.5
94.06541	1.7
94.07333	1.0
95.04947	8.4
98.03647	3.4
102.49874	1.1
103.05456	91.6
103.51812	1.0
104.05788	4.4
105.04482	1.8
105.07027	2.3
107.04940	20.8
107.08543	1.2
109.07649	1.4
110.08396	3.2
111.03892	1.0
111.04453	10.9
121.02847	61.0
121.03957	14.9
121.06485	23.7
121.10159	1.5
122.03178	3.3
122.06015	1.4
131.04916	5.8
131.08582	0.9
139.29425	1.0
149.02322	100.0
149.05933	7.3
149.09595	1.3
150.02663	4.5
150.05547	2.9
150.07747	1.2
150.09073	2.7
150.10210	2.0
169.03464	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0597
Annotation	3-Isochromanone
Peak:m/z	Relative Intensity
53.03943	3.7
55.01857	1.8
65.03935	52.2
66.04269	1.4
67.05492	0.9
71.53853	1.8
72.71420	0.7
77.03917	1.4
79.05486	33.1
80.05018	1.1
80.05815	1.5
81.03411	1.0
81.07072	0.7
91.05473	13.7
93.03391	12.6
93.07032	26.7
94.06548	2.7
95.04955	6.8
95.06033	1.0
98.03663	2.5
103.05461	74.7
104.05779	4.4
105.04513	1.6
105.07010	1.5
107.04951	20.9
107.06065	1.1
107.08583	0.8
108.04443	1.3
110.08430	1.5
111.04447	11.0
121.02856	54.3
121.03967	13.1
121.06503	22.5
121.07299	0.7
122.03200	2.2
122.06004	1.9
122.06839	0.9
123.05493	0.9
123.09222	0.8
123.24216	0.8
128.59305	0.7
131.04926	4.0
133.03444	0.9
149.02332	100.0
149.06007	7.7
149.07083	0.9
150.02652	4.5
150.03711	0.9
150.05469	2.4
150.07687	1.7
150.09100	0.7
150.10248	1.5
167.03392	1.8
169.03465	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.096
Annotation	Dehydrocarvacrol
Peak:m/z	Relative Intensity
52.41298	0.9
53.03936	3.4
54.92661	1.0
55.01864	5.9
55.05496	2.3
63.16459	0.9
65.03932	58.3
66.04266	2.6
67.05495	1.1
69.03415	3.5
69.07043	1.1
69.67340	8.2
78.89146	1.1
79.05489	13.5
81.04535	1.0
81.07037	2.7
91.05472	33.5
91.92637	1.0
92.05766	1.1
92.31278	1.1
93.03391	15.1
93.07040	22.3
95.04968	4.8
98.03667	1.5
103.05489	5.7
105.07019	25.7
106.07829	1.2
107.04943	1.2
107.08604	7.5
109.06486	2.9
109.07688	1.3
110.08414	2.1
111.04427	12.2
115.05449	3.8
116.06209	12.0
119.08546	4.8
121.02848	60.0
121.03960	14.6
121.06492	11.6
121.10126	23.5
122.03123	2.7
122.07128	1.1
122.10442	1.3
123.08074	3.4
128.06245	1.2
128.58745	1.0
129.06975	3.5
131.04880	2.4
131.08553	12.3
131.39432	0.9
133.06537	1.1
133.07594	2.1
134.07254	1.4
138.06830	1.0
147.08020	1.9
149.02325	100.0
149.05991	2.8
149.08347	1.9
149.09593	43.4
149.13234	1.6
150.02682	7.1
150.05495	1.4
150.10117	4.6
151.40875	1.0
167.03262	1.3
169.03505	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.1127
Annotation	D-Lysine
Peak:m/z	Relative Intensity
56.05024	3.0
56.83177	0.2
56.96555	0.3
67.05496	1.5
71.28113	0.5
74.02438	0.3
84.03991	0.4
84.04498	8.4
84.08131	100.0
85.06535	0.7
85.08462	3.9
91.05472	0.7
94.62496	0.2
99.02985	0.2
102.05549	1.5
105.61148	0.2
112.07610	0.3
119.04948	0.4
129.10228	0.2
130.04982	0.8
130.08626	10.8
131.08995	0.5
147.04457	0.2
149.11414	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.1166
Annotation	Viridiene
Peak:m/z	Relative Intensity
53.03930	1.9
55.05506	7.0
64.92801	2.6
65.03931	4.6
67.05505	11.8
69.07050	3.8
70.97748	2.7
70.98099	1.7
79.05490	14.0
80.83241	1.2
81.07047	9.8
84.04482	2.3
91.05473	100.0
92.05796	2.9
93.07035	7.2
95.04935	3.2
103.05437	3.7
105.07022	96.6
106.07333	7.1
107.04914	3.3
117.07014	8.6
117.80692	1.4
118.07763	2.8
119.04937	23.8
119.08571	91.2
120.05279	1.8
120.08896	4.9
123.96449	2.2
132.05681	1.3
145.10123	5.3
147.04442	9.7
147.05470	2.5
147.08046	8.5
147.09103	2.3
147.11664	37.3
148.12024	1.6
167.24760	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	148.0517
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86618	0.4
53.03941	0.7
53.59051	0.5
55.01872	0.9
65.03932	24.0
71.27361	0.9
79.05496	0.5
80.04993	0.4
84.04479	1.7
91.05452	2.7
92.05013	0.7
92.05803	3.8
92.09952	0.4
93.03388	5.7
93.07028	1.4
95.04964	0.8
98.03652	1.2
102.04675	100.0
102.50679	0.4
103.04918	4.0
103.05533	1.5
105.06992	0.8
107.04936	1.0
107.06051	0.5
107.08607	0.6
108.06843	0.5
111.04430	6.1
119.04924	0.5
120.04491	0.7
120.05286	3.2
120.08908	0.4
121.02863	26.8
121.03969	6.9
121.06516	1.8
121.07547	0.6
121.10202	0.5
122.07149	0.7
130.04134	53.9
131.04382	2.7
147.04375	0.6
148.03940	1.3
148.05173	25.4
148.07545	1.1
148.08643	1.3
148.47533	0.4
149.02325	46.2
149.05688	1.9
149.09618	0.9
167.03383	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	148.0516
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	0.6
55.01853	1.5
58.01144	0.4
58.88217	0.4
65.03931	23.4
71.04491	1.3
75.02369	0.5
76.03081	0.5
79.05495	1.0
80.04985	0.6
84.04497	2.3
91.05473	2.7
92.05795	4.9
93.03392	7.1
93.07018	1.4
95.04961	0.5
98.03674	0.9
102.04673	100.0
103.04908	4.0
103.05527	1.5
103.09555	0.4
105.07041	0.6
106.06537	0.5
107.04922	0.7
107.06069	0.7
111.04426	5.2
120.04478	0.8
120.05287	3.2
120.08150	0.5
121.02856	27.3
121.03963	7.1
121.06496	1.9
121.07476	0.5
127.88230	0.5
128.23723	0.4
130.04132	56.5
131.04514	2.3
147.04375	0.7
148.03926	1.6
148.05168	27.0
148.07581	1.2
148.08705	1.2
149.02324	52.2
149.05724	1.7
149.08348	0.6
149.09529	0.9
167.03362	0.9
169.03496	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0439
Annotation	5-Formylbenzofuran
Peak:m/z	Relative Intensity
65.03932	12.2
70.43966	0.5
70.76840	1.5
70.77189	0.6
72.08131	0.7
73.08508	1.0
84.04493	5.4
84.08174	0.6
91.05469	100.0
92.05806	4.2
94.13474	0.5
95.04971	0.7
98.20985	0.9
103.05489	0.7
105.07036	0.7
119.04928	90.3
120.05257	4.5
123.55248	0.5
130.04971	0.9
147.04391	32.0
148.04761	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0439
Annotation	5-Formylbenzofuran
Peak:m/z	Relative Intensity
52.30132	0.5
53.07908	0.5
55.55033	0.5
65.03932	12.2
69.73669	0.5
69.87723	1.2
69.88135	2.3
72.08128	0.8
84.04494	1.0
89.14065	0.6
91.05470	100.0
92.05800	2.7
105.07022	0.7
114.49738	0.7
119.04928	86.2
119.08598	1.2
120.05257	3.4
135.31119	0.5
147.04395	26.3
148.04755	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0763
Annotation	L-Glutamine
Peak:m/z	Relative Intensity
51.61121	0.4
56.05030	3.8
59.08532	0.4
61.39841	0.4
69.93711	1.2
69.94137	1.5
70.92378	0.6
84.04494	100.0
84.08122	3.2
85.02895	1.6
85.04836	2.7
98.21412	0.6
101.01747	0.6
101.07129	1.8
102.05527	4.7
119.04945	0.6
130.04991	25.5
131.05380	0.5
152.45801	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.044
Annotation	5-Formylbenzofuran
Peak:m/z	Relative Intensity
55.05500	0.4
55.11252	0.5
56.10400	0.5
56.17603	0.5
62.18256	0.6
63.02371	0.9
65.03934	13.1
71.16885	0.6
71.17236	1.2
84.04485	2.3
87.92479	0.5
90.30488	0.5
91.05472	100.0
92.05806	2.8
93.53094	0.6
95.04943	0.8
97.88541	0.5
102.04676	1.5
102.05434	0.5
102.57697	0.5
103.05424	1.6
105.07018	3.8
105.89624	0.5
107.04942	0.7
109.32859	0.5
117.07018	1.1
119.04933	87.4
119.08576	5.1
120.05275	4.2
121.07636	0.9
130.04076	1.2
130.06506	0.6
132.05699	0.5
147.04401	34.3
147.08020	1.9
147.11684	1.1
148.04797	1.5
148.07526	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0439
Annotation	Unknow
Peak:m/z	Relative Intensity
60.22695	0.5
65.03932	10.9
70.18781	2.9
73.08458	0.7
76.14163	0.5
82.26176	0.5
84.04485	2.0
85.96110	0.6
88.26476	0.5
91.05470	100.0
92.05798	3.9
103.05424	0.5
105.07017	1.2
119.04932	83.2
119.08563	1.4
120.05257	4.4
147.04395	27.5
147.11501	0.6
148.04709	1.4
149.64960	0.6
154.63792	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	146.1652
Annotation	Spermidine
Peak:m/z	Relative Intensity
54.59267	0.5
55.05503	1.3
56.01074	0.6
56.05020	0.5
56.96552	2.2
58.06598	7.8
65.03930	1.8
70.35368	2.1
72.08150	100.0
73.02943	0.5
73.08501	2.5
75.09229	3.0
75.96870	0.5
84.04486	0.8
84.08138	15.6
86.06090	0.7
87.04472	0.5
91.05473	19.3
91.06042	1.1
98.21371	0.6
98.97555	1.4
100.06255	0.5
112.11234	23.1
113.11517	0.6
115.07788	0.5
116.98644	1.0
119.01847	0.9
119.04933	16.4
121.01806	0.6
129.13887	3.2
143.21036	0.5
146.06061	1.4
146.16534	1.2
147.04396	5.6
149.08484	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.044
Annotation	5-Formylbenzofuran
Peak:m/z	Relative Intensity
50.63896	0.4
53.00311	0.4
53.03933	0.6
55.05513	0.6
56.05028	1.0
56.96558	2.1
58.06588	1.0
65.03934	12.1
70.06568	0.7
70.35368	2.0
70.59509	0.4
72.08155	5.9
73.08478	6.1
76.09566	0.4
81.92592	0.4
82.27386	0.4
82.77934	0.4
84.04500	13.5
84.08146	3.5
85.02898	0.6
85.08475	1.4
88.03966	0.4
88.72078	0.5
91.05471	100.0
92.05002	0.7
92.05212	0.6
92.05792	3.9
98.97547	0.6
102.05545	1.4
102.55956	0.5
103.05463	0.8
105.07017	0.9
113.11568	2.6
115.11780	0.5
116.98605	0.4
119.04931	85.4
119.08594	0.9
120.04496	0.9
120.05242	4.3
120.08051	0.5
130.05002	2.8
130.06502	1.2
132.67334	0.4
146.05995	4.9
147.04399	32.3
147.09137	1.6
148.03758	0.5
148.04756	2.2
148.05772	0.4
148.07532	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	146.06
Annotation	Indole-3-carboxyaldehyde
Peak:m/z	Relative Intensity
50.63390	0.8
65.03918	1.4
71.35691	1.8
72.05325	1.0
72.08142	4.9
79.08407	0.8
84.04482	1.6
91.05470	41.5
92.05807	1.2
100.04776	2.4
100.07581	0.9
112.11219	1.0
114.91606	0.8
117.05743	7.8
118.06532	100.0
119.04924	4.0
119.06905	4.5
128.04951	25.8
129.04451	1.1
146.05994	65.3
147.04391	1.4
147.06331	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	146.1175
Annotation	Unknow
Peak:m/z	Relative Intensity
53.61417	3.1
55.38122	3.7
60.08145	6.9
62.92964	7.9
64.92800	37.8
71.44621	8.1
82.06576	4.3
86.06063	4.8
87.03958	6.5
87.04468	100.0
91.05492	9.2
95.22511	3.4
100.07584	5.0
111.07938	3.6
118.06519	5.1
119.04883	6.4
119.08557	3.7
123.96458	71.9
146.06000	8.4
146.98003	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	146.1175
Annotation	Unknow
Peak:m/z	Relative Intensity
60.05628	9.3
60.08144	4.5
62.92968	4.9
64.92805	41.4
65.03931	5.0
71.02922	7.4
78.03446	4.5
79.02974	5.9
86.06056	5.2
87.04465	100.0
91.05473	35.3
93.04524	4.5
99.65733	2.7
100.07610	3.8
104.02670	3.0
105.04503	9.9
106.04018	5.7
106.05269	3.2
107.04802	4.6
110.07127	6.6
111.07967	16.5
118.06522	3.8
118.71309	2.5
119.04937	25.7
119.06046	12.6
120.05579	15.1
123.96449	43.1
146.04858	4.5
146.05952	12.9
146.07109	18.3
146.98047	10.8
147.04407	11.4
147.05508	5.2
147.06622	10.7
147.07933	6.4
147.09122	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	146.1651
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	0.4
55.05509	1.0
56.05021	0.8
56.96563	2.7
57.03430	0.3
58.06595	8.7
65.03939	3.7
69.03411	0.5
70.06596	0.8
70.31318	1.6
71.04985	0.6
72.04509	0.4
72.08150	100.0
73.06530	0.5
73.08479	2.4
74.02422	0.8
75.09242	2.5
82.06609	0.3
84.04503	2.3
84.08138	13.7
85.02910	0.6
86.06049	1.1
86.97520	0.4
91.05475	34.5
97.02888	0.5
98.21329	0.4
98.97576	1.1
100.04735	0.7
100.07622	0.4
105.07034	0.4
112.11236	23.7
113.11576	0.8
116.98630	0.8
117.05775	0.3
118.06548	1.8
119.04936	33.3
119.08566	0.8
128.07062	0.5
129.06812	0.3
129.10220	0.5
129.13860	3.7
130.04997	0.5
138.15700	0.3
146.06007	10.3
146.07170	0.5
146.08075	0.6
146.16522	1.2
147.03423	0.5
147.04398	13.2
147.06717	1.4
147.07858	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	146.0599
Annotation	Indole-3-carboxaldehyde
Peak:m/z	Relative Intensity
53.68845	0.6
54.50579	0.6
56.96553	1.4
61.44720	0.5
63.33746	0.6
64.14124	0.5
65.03918	0.7
69.97041	3.7
72.05328	0.6
72.08146	2.9
84.04516	1.7
84.08139	0.8
86.71330	0.6
91.05471	13.9
93.39787	0.6
96.71539	0.6
100.04759	0.8
103.05447	1.7
106.53423	0.6
117.05785	1.0
118.04137	0.9
118.06543	5.9
119.04934	5.8
119.08574	0.5
128.04955	38.5
129.05321	2.0
146.05992	100.0
147.04430	3.2
147.06311	5.4
152.74124	0.5
155.20644	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	146.0598
Annotation	Unknow
Peak:m/z	Relative Intensity
55.66696	0.4
65.03935	0.9
70.18289	1.9
71.04986	0.5
72.08164	2.6
84.04479	0.5
86.06035	0.5
91.05470	12.8
95.04916	0.6
100.04788	0.9
103.05462	0.7
105.06975	0.7
112.11257	0.5
117.05756	0.5
118.06525	5.2
119.04936	6.4
119.08522	0.6
128.04950	51.2
129.04468	1.5
129.05313	2.4
146.05989	100.0
147.04463	2.5
147.06325	4.7
147.08101	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	146.0599
Annotation	Indole-3-carboxaldehyde
Peak:m/z	Relative Intensity
53.03936	0.7
61.11737	0.3
65.03939	0.8
71.35472	0.5
72.05328	0.5
72.08139	1.0
77.03913	0.4
81.03397	0.4
82.94083	0.4
84.04482	0.9
91.05476	18.2
92.05788	0.7
95.04954	0.9
101.03875	0.3
103.05476	1.3
111.05245	0.3
117.05760	2.8
118.06538	21.7
118.69006	0.4
119.04932	4.4
119.06852	1.0
128.04956	55.3
129.04478	1.2
129.05299	2.3
142.11128	0.3
146.05997	100.0
147.04425	1.4
147.06354	5.0
159.80124	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	146.0599
Annotation	Indole-3-carboxaldehyde
Peak:m/z	Relative Intensity
51.02386	0.6
53.03937	1.1
65.03912	0.8
71.04987	1.0
71.13173	0.5
71.34511	1.3
72.08144	4.1
77.03920	0.7
84.04483	2.0
84.08122	1.4
86.06062	1.4
91.05474	14.7
95.04932	0.9
98.21160	1.0
100.04775	2.1
107.23367	0.6
112.11263	1.0
118.06538	7.5
119.04935	7.5
120.05623	0.6
121.63845	0.6
128.04959	57.0
129.04474	2.0
129.05312	2.3
146.06001	100.0
147.04541	3.3
147.06387	4.9
147.33203	0.6
154.65224	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.0494
Annotation	2-Methyleneglutarate
Peak:m/z	Relative Intensity
53.03941	12.2
55.01865	8.2
55.05512	1.2
57.03430	7.0
61.66800	1.0
62.93336	1.0
69.03413	4.5
70.06577	1.3
70.94903	3.6
71.01335	1.2
71.04987	43.7
72.05327	2.1
81.03409	14.0
84.99283	1.4
85.02893	7.8
88.26844	1.3
99.04446	100.0
123.68845	1.1
127.03895	16.3
145.03929	1.9
145.04951	7.6
145.94971	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	144.1018
Annotation	Stachydrine
Peak:m/z	Relative Intensity
51.76588	2.2
52.62368	2.4
53.03922	3.7
56.05031	5.1
57.03400	2.7
57.29148	2.8
58.06593	25.5
59.06116	3.8
59.62789	2.4
60.04518	5.8
62.92987	63.9
62.93307	2.1
69.03407	2.9
70.06588	7.9
71.04987	8.5
71.21160	4.4
71.21485	3.5
72.08141	2.4
77.59034	2.3
84.04510	3.8
84.08144	27.5
85.02901	28.0
88.30116	2.7
98.06065	12.0
98.09693	6.6
99.04461	20.6
102.05577	4.4
103.95584	3.9
112.05132	4.9
121.96635	99.1
144.03731	4.5
144.06581	6.7
144.08095	8.1
144.09058	4.8
144.10194	100.0
144.98203	17.8
145.04997	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	144.1018
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.6
55.01870	0.7
55.05498	0.5
56.05033	0.6
57.03425	0.8
58.06596	1.7
60.04517	0.5
68.05060	0.2
69.03423	2.1
70.06589	8.8
70.41410	1.1
71.04987	1.4
71.06920	0.4
72.08140	0.5
74.06072	0.4
81.03402	0.5
84.04493	1.6
84.08132	2.4
85.02900	4.3
86.06036	0.3
96.04442	0.2
96.08138	0.3
97.02888	0.8
98.06057	3.9
98.09686	100.0
99.04446	3.9
99.09361	0.4
99.09998	2.9
102.00934	0.3
102.05529	0.3
112.90063	0.2
113.27834	0.3
119.01890	0.4
120.01981	1.3
121.01658	0.9
122.36743	0.3
126.05489	0.4
127.03915	0.6
138.03101	0.3
139.02786	0.3
144.03734	1.1
144.06540	1.5
144.10190	22.9
145.10544	0.8
153.79137	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	144.1019
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.6
55.01858	0.5
55.05519	0.2
56.05028	0.3
56.96539	0.2
57.03440	1.1
57.25423	0.2
57.32531	0.2
68.04996	0.3
69.03419	1.4
70.06586	8.9
71.04978	2.1
71.06907	0.3
71.13731	0.2
71.67808	0.4
72.08135	0.3
73.54785	0.2
74.06064	1.0
74.07160	0.3
79.05490	0.4
81.03407	0.7
84.04492	0.3
84.08105	0.9
85.02900	1.8
96.08110	0.5
97.02866	0.4
98.06043	4.2
98.09683	100.0
99.04444	4.5
99.10003	3.2
126.05447	0.3
126.09159	0.2
127.03907	0.8
144.03723	0.6
144.06531	0.7
144.10187	17.5
145.04976	0.4
145.10518	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	144.1018
Annotation	1-Aminocyclohexanecarboxylic acid
Peak:m/z	Relative Intensity
55.01849	0.3
56.05027	0.2
57.03421	0.6
62.12050	0.1
64.13293	0.2
68.05009	0.2
69.03401	0.8
70.06584	8.8
71.04984	0.7
71.24250	0.4
72.08150	0.8
74.06057	0.7
79.05486	0.4
81.07063	0.4
84.04469	0.3
84.08113	0.8
85.02896	1.3
96.08122	0.5
97.02882	0.3
98.06050	3.1
98.09683	100.0
99.04432	1.9
99.09395	0.3
99.10008	2.9
99.13488	0.2
100.07597	0.2
116.07020	0.2
126.05480	0.3
126.09155	0.2
127.03976	0.4
144.03728	0.4
144.06552	0.5
144.10187	16.1
145.10506	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	144.1019
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55444	0.8
53.03928	2.7
55.01855	2.8
55.05510	1.5
56.05017	2.6
56.96551	1.2
57.03435	4.0
59.06110	0.8
60.04521	1.9
60.05627	1.1
67.05464	1.0
69.03410	4.0
70.06586	9.6
70.48215	3.0
71.01344	0.8
71.04980	9.7
72.08141	1.9
79.05498	1.5
81.03416	4.4
81.07048	25.4
84.04486	1.6
84.08131	4.1
85.02898	12.6
96.68048	0.7
97.02892	1.8
98.06039	13.3
98.09682	100.0
98.21173	1.7
99.04440	23.1
99.10023	3.9
106.44400	0.7
126.05489	1.3
126.09066	0.9
127.03917	4.1
134.10426	0.9
144.03729	3.9
144.06557	3.6
144.10193	3.6
145.04922	2.0
156.33992	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	142.0862
Annotation	Hypoglycin
Peak:m/z	Relative Intensity
53.03928	5.1
56.05032	2.3
58.99889	1.4
68.05021	5.3
69.03413	4.0
69.07060	2.2
70.06586	12.9
71.72178	1.4
74.02435	7.1
79.05486	100.0
79.20377	1.2
80.05823	4.0
81.03416	3.1
81.07037	3.2
82.06596	2.2
83.04961	2.4
95.04967	5.0
96.04490	1.6
96.08119	65.1
97.02866	3.7
97.06516	2.9
97.07678	2.6
97.08377	1.7
99.04432	1.1
100.07620	1.4
101.00870	3.2
104.53666	1.2
107.04920	1.6
114.09160	2.5
119.01896	11.7
124.07598	1.7
125.02323	2.7
125.05977	1.9
126.66106	1.3
137.02956	2.2
138.68050	1.1
142.05011	2.4
142.08618	10.4
143.03381	24.7
143.08115	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	142.0862
Annotation	Hypoglycin
Peak:m/z	Relative Intensity
53.03934	2.8
53.59806	0.5
55.01851	0.5
67.05479	0.6
68.05013	2.1
69.07067	2.3
70.06611	0.6
71.11518	0.5
71.26119	1.1
74.02433	7.5
77.03908	0.9
78.20929	0.5
79.05482	100.0
80.05818	3.9
81.07048	3.0
83.04961	0.8
95.04957	4.4
96.08118	54.8
97.06533	1.9
97.08434	2.2
98.09650	0.7
105.04505	1.0
107.04941	2.2
123.66317	0.5
125.05986	2.0
131.39417	0.4
140.18105	0.4
142.08633	3.2
143.03394	4.3
143.53102	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	144.0807
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.2
55.01862	1.1
55.05496	0.6
56.05017	1.0
57.03431	1.7
58.06602	0.4
59.06098	1.2
60.04517	0.5
63.61170	0.3
65.03917	0.3
69.03413	1.3
70.06583	2.3
70.07676	1.9
71.01341	0.4
71.04984	7.1
72.08150	1.5
74.06064	0.4
81.03413	2.8
83.06091	0.4
84.04473	0.9
85.02895	4.5
85.04017	0.7
86.06049	0.7
89.03893	0.5
91.05470	5.3
93.50298	0.3
97.02875	0.7
97.07660	0.3
97.67794	0.3
98.06046	3.1
98.09663	0.9
98.21442	0.4
99.04445	17.2
101.07099	0.6
102.05500	0.4
103.05460	4.0
104.05038	0.3
105.07003	0.3
109.07619	0.8
113.02950	1.1
115.05441	9.0
115.84749	0.3
116.04980	0.8
117.05809	3.1
117.07008	25.9
118.06532	1.1
118.07340	1.5
126.03735	1.0
127.03926	2.9
127.05428	1.2
128.04967	2.2
128.06200	0.6
129.06552	0.5
130.07753	0.4
134.06010	0.4
139.01768	0.4
142.06532	0.5
143.06139	0.8
143.07298	20.8
144.03786	3.5
144.04861	2.0
144.08075	100.0
145.03941	0.4
145.05002	1.4
145.06505	6.2
145.08406	6.0
145.09653	0.4
145.10078	0.5
146.05986	1.0
155.06032	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	144.0807
Annotation	3-METHYLQUINOLINE
Peak:m/z	Relative Intensity
51.40234	0.2
53.03941	2.0
54.74149	0.3
55.01859	1.3
55.05496	0.6
56.05025	0.5
57.03421	1.3
58.06562	0.3
59.06102	0.9
60.04515	0.6
62.23291	0.3
69.03410	1.3
69.81124	2.1
70.06583	2.2
71.04984	6.5
72.08131	1.2
74.06040	0.5
81.03415	2.3
84.04494	0.5
84.08119	0.5
85.02898	4.1
85.03984	0.6
86.06055	0.3
89.03883	0.4
91.05474	4.4
95.04959	0.5
97.02896	0.5
98.06049	2.2
98.09674	0.6
98.20740	0.6
99.04443	15.5
101.07117	0.7
103.05457	3.8
104.04978	0.4
105.07005	0.4
109.02870	0.3
109.07639	0.6
111.07859	0.3
113.02966	1.5
115.05441	8.2
116.04957	0.8
116.06267	0.5
117.05798	2.8
117.07008	23.1
118.06537	1.5
118.07336	1.1
121.00806	0.3
126.03706	0.4
126.06659	0.3
127.03918	2.5
127.05415	1.0
128.04938	2.3
128.06227	0.6
129.05708	0.4
129.06570	0.3
130.07674	0.5
134.06024	0.5
139.01828	0.7
142.06487	0.7
143.06154	0.7
143.07289	18.0
144.03787	2.5
144.04910	1.8
144.08069	100.0
145.05003	1.1
145.06477	5.5
145.08405	6.5
145.10057	0.8
146.05962	1.1
155.06020	4.7
164.30273	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	144.1018
Annotation	Stachydrine
Peak:m/z	Relative Intensity
53.03930	3.2
55.01858	2.1
55.05499	1.8
56.03622	0.8
56.05033	2.0
57.03439	4.8
58.06319	1.3
58.06594	25.5
59.06108	1.9
60.04526	7.1
60.05634	1.2
60.52682	0.8
62.92984	20.5
69.03411	3.2
70.06590	7.9
71.01329	1.2
71.04979	8.8
71.06076	0.8
71.26492	1.6
72.08142	1.4
73.02963	0.8
74.06068	1.1
81.03395	4.1
83.01326	0.8
84.04482	3.0
84.07647	1.7
84.08134	23.9
85.02895	30.7
85.03990	1.1
85.16275	0.8
86.03236	0.9
86.06041	1.4
87.04434	0.9
91.05492	0.8
97.02876	1.3
98.03226	0.9
98.06036	10.2
98.09688	4.9
98.20827	0.8
99.04441	19.2
102.05537	4.4
103.95611	1.4
105.07053	1.1
111.07941	2.1
115.05435	1.5
117.07037	1.1
121.96631	34.7
126.02666	2.0
126.05493	2.5
127.03922	2.1
128.07050	1.0
129.06566	1.8
130.07770	1.1
144.03738	4.4
144.05563	1.9
144.06538	7.0
144.08073	4.9
144.10181	100.0
144.98212	9.7
145.05141	1.2
145.06433	1.0
145.10538	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	142.0348
Annotation	Unknow
Peak:m/z	Relative Intensity
63.63571	2.7
64.01180	2.8
70.91678	8.7
98.20772	3.6
101.00872	14.3
118.03504	8.0
119.01909	100.0
130.77205	3.1
136.04536	7.5
137.02950	39.0
142.03481	22.4
160.04582	12.9
160.12253	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	142.0349
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.2
54.03515	0.3
55.01873	1.7
55.05502	0.7
56.96571	1.5
57.03434	0.5
58.99858	0.3
67.05502	0.7
68.05026	1.7
69.03432	0.5
69.07052	2.5
69.84666	0.3
69.88703	1.3
69.89142	1.1
70.06590	1.6
70.99841	0.4
74.02434	6.9
76.29257	0.3
77.00904	0.4
77.03902	0.5
79.05489	100.0
80.05809	2.7
81.03433	0.5
81.04546	0.9
81.07053	3.0
82.06580	1.2
83.04984	1.4
83.97630	0.4
95.04968	3.5
96.08124	65.6
97.02859	0.6
97.06526	2.7
97.08421	1.7
100.02499	0.9
100.07577	0.6
101.00861	4.3
105.04519	0.8
107.04951	2.7
108.76826	0.4
110.52551	0.8
111.00797	0.6
114.09212	0.4
115.01286	0.5
115.02448	0.7
118.03527	1.2
118.96796	0.4
119.01909	23.2
125.02322	0.9
125.05988	2.4
128.06161	0.4
131.01904	0.4
136.04587	0.9
137.02946	8.0
138.03017	0.5
142.03487	3.3
142.08624	3.6
143.01933	0.3
143.02132	0.4
143.03397	5.6
160.04575	1.6
161.02922	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	142.0862
Annotation	Hypoglycin
Peak:m/z	Relative Intensity
53.03929	4.6
55.01873	3.3
55.05489	2.9
55.23586	1.5
56.05014	4.0
56.96567	1.8
57.03444	2.1
58.33587	1.6
58.99861	2.2
63.00848	1.6
68.05014	5.5
69.03414	8.4
69.07072	2.0
69.67246	7.2
69.67656	4.0
70.06590	23.8
74.02431	7.0
77.00903	1.9
79.05483	100.0
80.05821	3.0
81.03396	4.2
81.04542	2.4
81.07039	2.2
82.06543	2.2
84.08133	2.8
95.04971	4.2
96.04510	1.9
96.08121	71.9
97.02881	5.7
97.07663	4.0
97.08399	1.5
100.07677	2.0
101.00864	11.6
102.69095	1.4
103.82294	1.5
107.04926	1.4
112.08787	1.6
114.05531	2.6
114.09127	4.1
119.01907	46.2
124.07573	1.8
125.02371	6.6
130.09395	1.5
137.02917	10.9
141.41492	1.8
142.03456	3.1
142.05011	2.7
142.08633	13.1
143.03386	60.4
143.08122	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	138.0548
Annotation	Trigonelline
Peak:m/z	Relative Intensity
50.83746	0.3
53.03928	0.8
59.45011	0.2
62.44387	0.3
65.03928	1.3
67.05499	1.3
68.99789	0.4
69.41000	1.3
69.41424	1.8
77.18057	0.3
78.03441	0.7
79.04218	0.4
92.04999	4.3
93.05771	1.2
94.06558	22.6
95.04965	0.3
95.06886	0.8
96.04482	3.9
98.21355	0.7
110.06030	19.5
138.05487	100.0
139.05061	0.3
139.05855	3.6
154.04973	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	140.0019
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98655	0.6
56.05028	0.6
56.96562	36.2
70.07869	0.5
70.94498	1.3
71.95262	5.9
72.96221	0.6
75.86391	0.6
81.04540	1.9
93.98701	0.5
94.06570	0.6
97.96793	0.5
98.97577	100.0
99.97951	1.2
100.02441	0.9
116.98612	85.9
117.98934	0.8
134.99648	42.2
135.03084	0.7
140.00168	2.6
140.07050	1.3
153.00699	6.9
158.01228	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	141.0545
Annotation	(-)-Sarcomycin
Peak:m/z	Relative Intensity
53.03940	1.4
54.03456	0.7
55.01870	5.9
56.05035	2.3
56.96567	1.3
57.03407	0.7
58.02963	0.8
58.06591	0.9
59.06119	2.8
60.04518	1.9
65.03934	9.2
67.01862	0.5
67.05496	100.0
68.05019	1.5
68.05838	2.5
70.06580	1.0
70.34673	0.9
70.35029	1.6
71.04968	0.9
71.06079	0.8
72.04501	0.6
74.06072	0.6
79.05495	0.8
80.04958	0.6
81.03394	0.9
81.04534	1.0
82.06563	0.7
83.06095	2.4
84.04495	1.6
84.05634	1.1
85.02882	0.5
85.07663	1.1
86.08456	1.3
95.01337	0.7
95.04956	86.2
95.08603	0.8
96.04462	0.8
96.05274	3.1
96.08113	0.6
97.02846	0.6
97.06523	0.7
97.07648	1.2
98.07180	1.2
99.04468	0.7
99.05556	1.5
99.07986	0.5
100.08714	0.6
101.07162	0.8
105.03365	0.6
111.09139	0.5
112.08736	0.7
113.02374	4.9
116.98602	0.5
117.98943	0.6
118.96745	1.4
123.04419	12.2
123.09059	0.5
125.07117	0.7
125.74458	0.5
141.01819	5.1
141.05426	4.3
141.06610	2.1
141.10197	0.6
141.11330	0.8
142.04948	1.1
142.08705	0.7
142.09732	2.3
150.85336	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	141.0545
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.0
55.01867	6.3
55.05509	0.9
56.05034	3.4
56.96555	1.6
57.03434	0.5
57.04560	0.6
58.02969	0.6
58.06598	1.7
59.06119	3.6
60.04512	2.9
65.03933	8.4
67.01847	0.8
67.05497	100.0
68.05025	2.7
68.05830	2.7
69.03418	0.5
70.02951	0.7
70.06580	0.9
70.11333	1.2
70.11751	1.3
71.04981	0.7
71.06105	1.2
72.04478	0.7
72.06917	0.6
75.05575	0.6
79.05480	1.2
80.05008	1.0
81.03397	1.2
81.04550	0.7
81.07079	0.6
82.02917	0.9
82.06580	1.2
83.06094	4.0
84.04494	2.9
84.05595	0.7
84.08137	0.9
85.02888	0.7
85.07654	0.9
85.29558	0.5
86.06113	0.6
86.08437	1.3
95.01340	1.0
95.04958	80.0
95.06040	1.9
95.08598	1.1
96.04527	0.9
96.05292	2.5
96.08112	0.6
97.06514	0.9
97.07639	1.7
98.06048	0.6
98.07164	0.8
98.20760	0.6
98.21309	1.0
99.05566	1.9
99.07971	0.6
100.08719	0.9
101.07122	2.1
109.02819	0.6
111.09123	0.6
112.08717	0.7
113.02348	4.7
113.07074	0.6
114.05583	0.7
115.05443	0.6
118.96738	1.2
123.04417	13.4
123.05424	0.9
124.05912	1.2
124.08624	0.9
125.03432	0.6
125.07095	0.8
140.84882	0.5
141.01830	5.6
141.05426	4.0
141.06630	1.9
141.10265	0.6
141.11327	1.6
142.04979	0.8
142.08643	1.4
142.09729	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	137.1324
Annotation	(S)-(+)-alpha-Phellandrene
Peak:m/z	Relative Intensity
53.03937	2.4
55.01872	1.0
55.05503	7.0
56.42975	0.7
57.07074	15.1
65.03940	2.8
66.04715	5.3
67.05130	1.7
67.05498	32.6
68.05842	1.1
69.04546	0.9
69.07060	8.0
69.76338	4.4
69.76756	1.6
77.03895	1.0
79.05026	1.0
79.05480	13.4
81.03395	0.9
81.07048	72.5
82.06600	1.0
82.07386	3.2
84.08096	0.9
91.05470	7.6
93.07026	8.4
94.04179	33.1
94.06542	1.1
95.04973	2.7
95.08598	100.0
96.04465	0.8
96.08920	4.3
97.06398	1.9
97.32208	0.8
98.21411	1.5
107.04951	1.4
107.08598	1.2
108.09381	1.2
109.06506	2.5
109.10153	9.6
110.06028	2.8
110.07137	2.6
119.08602	1.2
120.04446	2.0
122.03640	41.3
122.07314	1.0
123.03968	2.3
137.02507	3.9
137.05962	61.9
137.09578	1.2
137.13228	9.7
138.01752	2.2
138.05472	4.8
138.06404	4.0
138.09166	1.6
138.10136	0.8
138.13557	1.2
143.64008	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.096
Annotation	4-Propylphenol
Peak:m/z	Relative Intensity
51.02390	0.9
53.03962	2.3
55.01874	0.9
55.05519	2.0
57.07077	0.5
58.04502	0.5
62.79929	0.5
65.03952	1.8
66.04728	2.6
67.05502	28.2
68.05842	0.9
69.03436	1.3
69.07076	1.6
70.29528	1.0
70.29934	1.9
73.47046	0.5
77.03927	0.9
79.05491	6.0
80.05859	0.5
81.03407	0.9
81.04542	0.8
81.07050	12.5
86.86475	0.5
91.05475	13.9
92.05796	0.6
93.07030	5.2
94.04179	17.5
94.07867	1.3
95.04969	5.1
95.08607	10.1
95.42628	0.5
97.06429	1.6
98.21426	0.6
103.05477	2.0
104.06255	1.2
105.04511	0.6
105.07037	0.6
107.04948	23.7
107.08541	1.2
108.05298	0.7
109.06512	1.7
109.10149	31.1
110.06117	0.6
110.07159	2.1
110.10518	1.1
115.05448	0.6
117.07006	1.9
119.08576	12.6
120.04485	0.6
121.06500	10.4
122.03647	21.1
122.07279	100.0
123.03963	0.7
123.07619	3.9
135.08073	4.3
137.02460	1.8
137.05965	28.9
137.09602	78.1
138.05432	1.2
138.06371	1.7
138.09033	0.8
138.09993	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.096
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.5
55.01878	0.9
55.05499	2.7
57.07084	0.5
65.03934	1.6
66.04726	1.6
67.05500	32.5
68.05833	0.7
69.03436	1.5
69.04550	0.5
69.07068	1.0
70.87637	1.4
72.04524	0.7
77.03920	0.7
79.05498	6.2
81.03407	0.6
81.04543	1.0
81.07055	12.6
81.41943	0.5
85.14482	0.5
91.05473	16.2
93.07039	5.3
94.04185	10.5
94.07832	1.5
95.04972	4.0
95.08604	8.5
97.06408	1.6
103.05467	1.9
104.06230	1.6
105.04528	0.7
107.04947	27.5
107.08582	1.8
108.05278	0.6
109.06516	1.6
109.10152	35.0
110.05972	0.6
110.07163	1.1
110.10493	1.3
113.93696	0.4
117.07009	2.4
119.08572	17.3
119.20093	0.5
120.08932	1.1
121.06499	8.8
122.03652	14.3
122.07278	100.0
123.07591	4.4
135.08044	4.5
137.02454	1.8
137.05983	19.6
137.09605	79.9
138.05472	1.3
138.06474	0.8
138.09059	0.9
138.09946	3.8
139.07693	0.5
153.55095	0.6
159.14742	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.096
Annotation	2-Isopropylphenol
Peak:m/z	Relative Intensity
51.02369	1.0
53.03942	4.3
54.03466	0.7
55.01866	1.6
55.05504	4.0
56.03757	0.7
56.57125	0.6
57.07058	1.7
65.03938	4.6
66.04725	7.2
67.05502	33.8
68.05020	0.9
69.03418	2.6
69.04544	1.8
69.07049	2.7
71.73510	0.9
72.04498	0.8
77.03905	1.2
79.05489	11.7
80.05003	0.8
81.03391	1.5
81.04537	2.5
81.07054	25.3
81.07536	1.3
82.06581	1.7
91.04924	1.3
91.05476	21.8
93.07041	7.9
94.04182	50.8
94.06576	1.5
94.07807	0.9
94.14021	0.9
95.04981	9.0
95.08599	24.2
96.04497	1.5
96.05599	1.1
96.06882	0.7
96.08933	0.6
97.06400	5.3
97.07644	1.1
98.04797	1.7
103.05449	1.9
105.04507	0.9
107.04949	21.9
107.08572	1.7
108.05293	0.7
109.06515	6.5
109.10143	24.7
110.06025	2.2
110.07203	3.4
110.09673	0.7
110.10443	1.2
111.05566	1.4
117.07040	1.6
119.04935	1.5
119.08579	13.9
120.04469	1.2
120.05559	1.0
121.06498	8.0
122.03641	67.0
122.07281	76.4
123.03948	2.9
123.06815	0.8
123.07555	3.1
135.04350	1.2
135.08037	3.3
137.02515	5.7
137.05971	100.0
137.08218	2.3
137.09605	67.5
137.13229	1.8
138.01721	1.3
138.05457	4.6
138.06404	5.6
138.09090	2.6
138.09990	3.9
139.07462	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0959
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	11.4
54.03455	6.9
55.01872	19.2
55.05503	10.6
55.53462	1.5
56.03759	2.2
56.05014	5.9
57.03430	1.8
57.07056	3.7
60.72957	1.4
65.03941	8.8
66.04697	6.5
67.02962	2.2
67.05497	79.2
67.89951	1.5
68.05004	7.1
68.99797	1.9
69.03414	6.8
69.04543	8.2
69.07052	6.5
70.02937	3.2
70.06579	1.6
71.14515	2.8
72.04511	1.9
72.08134	1.9
79.05484	33.2
80.04992	4.0
81.03416	8.3
81.04534	25.9
81.07051	76.8
81.07542	3.8
82.05299	2.4
82.06561	7.5
82.07356	3.4
83.04947	3.3
83.06087	7.4
84.08134	2.1
91.05470	62.3
92.05785	3.0
93.04507	3.4
93.07039	23.1
94.02908	3.0
94.04178	55.6
94.06541	6.2
94.07825	2.0
95.04971	26.7
95.06063	6.4
95.07352	1.6
95.08595	49.2
96.04448	3.2
96.05612	11.5
96.06873	2.6
96.08112	2.4
97.04010	2.7
97.06391	37.3
97.07655	7.5
98.04768	5.2
98.08404	1.8
103.05476	2.5
104.06255	1.6
105.04496	2.0
105.06959	1.7
107.04952	24.0
107.08572	4.0
108.05674	1.6
109.06506	51.5
109.07625	3.9
109.10144	49.3
110.06040	11.0
110.07169	30.0
110.07910	3.3
110.09695	2.4
110.10485	2.4
111.05565	8.7
111.09129	2.2
117.07019	2.4
119.04917	9.9
119.06034	2.9
119.08570	15.0
120.04430	4.2
120.05549	5.0
121.02812	1.8
121.03980	2.3
121.06477	7.8
121.07560	3.4
122.03636	62.2
122.07275	75.1
123.03999	1.9
123.06763	2.6
123.07588	3.3
127.03909	2.0
135.08023	2.9
135.61929	1.4
137.02490	21.5
137.03479	3.3
137.05949	100.0
137.08185	17.0
137.09584	78.3
137.10660	7.3
137.13223	5.7
138.01717	3.7
138.05461	16.4
138.06522	9.8
138.09094	12.0
138.10165	10.1
146.23334	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.096
Annotation	2-Isopropylphenol
Peak:m/z	Relative Intensity
51.02380	0.8
52.61873	0.7
53.03942	6.2
54.03471	3.6
54.05399	0.7
55.01867	14.0
55.05504	32.2
56.05034	1.2
56.05843	0.8
57.03440	1.1
57.07067	2.5
58.13324	0.8
65.03932	7.5
66.04718	3.3
67.05498	100.0
68.05029	2.3
68.05827	2.4
69.03423	14.9
69.04546	3.7
69.07063	6.1
70.02942	1.4
70.06579	1.6
71.74396	0.7
71.74800	1.2
72.04508	1.7
77.03909	0.7
79.05481	21.0
80.05019	1.3
80.05819	0.8
80.06254	1.4
81.03400	4.5
81.04536	10.6
81.07047	59.6
82.05341	0.8
82.06587	2.4
82.07379	3.1
83.04977	2.6
83.06104	3.9
86.75499	0.8
91.05470	22.8
91.06040	1.2
92.04971	1.2
93.04514	0.9
93.07032	16.8
94.04176	19.6
94.06568	2.3
94.07822	1.8
95.04405	1.6
95.04963	21.9
95.06045	1.7
95.08594	50.2
96.05629	4.5
96.06879	1.2
96.08124	1.2
96.08902	1.3
97.03992	1.7
97.06394	11.6
97.07647	3.6
98.04772	2.4
105.04484	0.9
105.07020	1.0
107.04936	3.0
107.08575	6.4
108.05732	1.1
109.06509	14.1
109.07641	1.8
109.10143	36.3
110.06007	2.2
110.07173	11.0
110.07920	1.5
110.09741	1.4
110.10487	1.9
111.05560	5.4
111.08081	4.3
117.07021	1.1
119.04933	1.6
119.06042	0.9
119.08572	5.3
120.04491	1.2
120.05549	3.0
121.02842	1.1
121.03938	0.9
121.06515	1.2
121.07636	1.2
122.03629	28.4
122.07258	11.3
122.53789	0.7
123.03919	0.9
123.06794	1.7
137.02444	6.4
137.05954	46.9
137.08124	6.1
137.09595	38.3
137.10602	1.8
137.13222	2.4
138.01743	1.8
138.05629	6.3
138.06560	6.3
138.09116	7.0
138.10156	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	137.0595
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
51.42572	0.4
53.03936	1.4
55.01870	0.8
57.81346	0.5
60.83757	0.4
65.03929	1.8
66.04715	6.3
66.73545	0.5
67.05499	0.8
67.96211	0.4
79.05484	4.6
81.07043	2.0
91.05473	4.5
94.04175	48.2
95.04482	1.8
95.04997	1.3
105.03397	0.8
107.04932	1.5
109.06481	1.0
122.03630	67.6
123.03986	2.2
137.05960	100.0
138.05396	0.8
138.06299	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	137.0596
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
51.02359	0.5
53.03935	2.1
54.03468	1.0
55.01866	1.4
55.05497	1.3
56.05041	0.5
63.71580	0.4
65.03938	2.6
66.04717	6.7
66.95607	0.4
67.05499	8.0
68.05036	0.5
69.03438	0.8
69.04546	1.1
69.07052	0.6
69.65479	1.5
69.65907	2.2
72.04504	0.5
75.52336	0.5
77.03925	1.3
79.05482	6.4
81.03415	1.5
81.04538	2.9
81.07047	9.8
82.06590	0.9
83.06084	1.2
83.55981	0.4
87.11984	0.5
89.91302	0.4
91.05468	9.6
92.05819	0.9
93.07023	3.4
94.04176	47.5
95.04597	0.7
95.04985	5.1
95.06089	1.4
95.08597	9.3
96.04467	0.5
96.05602	1.1
97.06382	4.2
97.07659	1.1
105.04501	0.9
107.04909	2.3
108.92249	0.5
109.02898	1.0
109.06512	5.2
109.07627	0.9
109.10145	3.2
110.06020	1.3
110.07171	3.6
110.09671	0.6
111.04374	0.5
111.05553	1.2
112.40113	0.5
116.22480	0.5
119.04913	1.6
119.08559	1.6
120.04471	0.9
120.05546	0.7
121.06497	0.7
122.03634	64.5
122.07263	5.2
123.03970	2.9
127.51989	0.5
135.04387	0.9
136.81682	0.4
137.02486	3.8
137.05960	100.0
137.08180	2.0
137.09593	8.2
137.10648	1.0
138.01730	1.2
138.05435	1.7
138.06355	4.6
138.09097	1.4
138.10075	0.9
144.03723	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0596
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
50.53009	0.5
51.02374	1.2
53.03948	2.1
55.01862	1.8
57.07084	0.5
65.03938	2.7
66.04718	8.9
66.05073	0.6
67.05499	2.7
71.13363	1.0
71.82735	0.5
77.03891	0.6
79.05487	5.5
81.04546	0.8
81.07048	4.7
83.26215	0.5
91.05472	6.6
93.07027	0.7
94.04177	56.2
95.04462	1.2
95.05038	2.7
95.06083	0.6
95.08591	1.8
97.06393	1.6
102.09555	0.5
103.75021	0.5
105.03386	0.8
107.04958	2.3
109.06499	1.8
109.10184	0.8
110.06073	0.5
110.07169	0.9
119.04951	1.0
122.03637	72.7
123.03965	3.1
134.80353	0.5
135.04407	0.9
137.05965	100.0
138.05437	1.1
138.06326	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	137.0596
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
51.02375	0.8
53.03936	1.0
55.01860	0.9
65.03934	2.7
66.04716	9.5
67.05499	0.9
71.48228	0.6
71.48567	0.7
77.03921	1.5
79.05487	5.0
81.07045	2.0
91.05468	3.9
94.04176	61.7
95.04497	1.7
95.04974	1.9
95.08568	0.7
105.03437	0.6
105.04447	0.5
107.04942	1.4
109.06505	1.2
110.07176	0.5
122.03634	77.3
123.03968	2.6
135.04437	1.0
137.05962	100.0
138.06311	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	137.0596
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
51.02379	0.6
53.01709	0.5
53.03937	1.6
55.01858	1.3
55.05505	0.6
57.07063	0.4
61.65699	0.5
63.54350	0.5
65.03935	2.3
66.04716	9.0
67.01840	0.6
67.05498	3.2
69.03428	0.7
69.07047	0.7
69.77108	3.0
70.09412	0.5
77.03923	1.0
79.05487	7.4
81.03390	0.8
81.04536	0.5
81.07050	7.3
82.05354	0.4
82.34814	0.4
91.05477	6.9
93.07040	1.4
94.04177	60.7
94.06559	0.8
95.04489	2.1
95.05027	3.2
95.08598	6.6
96.04472	0.8
100.23936	0.4
105.03362	0.8
105.04507	0.5
107.04944	2.3
109.06506	2.7
109.10123	0.6
110.01470	0.5
110.06043	1.8
113.89172	0.5
120.04445	1.3
121.02848	0.7
122.03635	76.2
123.03982	3.4
135.04453	0.8
137.02544	3.4
137.05960	100.0
137.09554	1.6
138.01764	0.8
138.05402	4.0
138.06377	4.4
138.09137	0.9
143.84947	0.4
151.15501	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0595
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
50.64371	0.4
51.02363	0.6
53.03931	1.8
55.01863	1.2
65.03927	2.1
66.04716	8.6
66.68513	0.4
67.05485	2.1
69.03419	0.7
70.44238	0.4
71.30467	0.8
71.30795	0.6
72.34689	0.4
77.03937	1.0
79.05485	5.3
81.07043	3.9
91.05466	5.0
91.96960	0.4
92.05774	0.5
93.03407	0.8
93.07009	0.8
94.04175	55.9
95.04476	1.3
95.05002	2.5
95.08617	2.4
96.05695	0.4
97.06427	0.8
105.03374	1.0
105.04516	0.6
107.04916	2.1
109.06508	1.8
109.10207	0.6
110.06009	0.6
110.07193	1.0
120.07643	1.0
122.03632	74.2
123.03972	3.4
137.02490	1.1
137.05962	100.0
137.09596	1.5
138.05473	1.0
138.06345	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	137.0596
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
53.03944	1.2
65.03928	2.1
66.04719	9.7
67.05485	0.9
70.87568	1.3
70.87947	1.1
77.03927	1.0
79.05488	5.9
81.07049	2.4
82.18972	0.6
91.05470	3.8
93.03418	0.6
94.04177	64.2
95.04436	1.1
95.04963	1.6
105.03371	1.2
107.04932	1.3
109.06508	0.8
122.03633	80.8
123.03992	3.1
125.75397	0.6
130.93874	0.7
131.60556	0.6
135.04431	0.8
137.05962	100.0
138.06311	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	137.0595
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
51.02379	0.5
53.03937	1.2
55.01859	1.1
55.41119	0.2
63.23787	0.3
65.03929	2.0
66.04713	8.1
67.05514	1.3
69.03434	0.3
69.71693	2.1
69.93382	0.3
77.03928	0.9
79.05486	5.1
79.06204	0.2
81.04533	0.5
81.07046	3.7
83.89151	0.3
91.05473	5.0
92.05834	0.3
93.03385	0.4
93.06973	0.4
94.04175	52.6
95.04489	1.2
95.05016	1.9
95.08601	1.0
96.05685	0.3
97.06385	1.3
98.21416	0.6
105.03391	0.5
107.04940	2.2
109.06499	1.2
109.10165	0.4
110.07146	1.0
110.15490	0.2
111.05559	0.4
115.95370	0.3
119.10802	0.3
122.03631	71.2
123.03972	2.5
135.04411	0.6
137.05959	100.0
138.05399	0.4
138.06303	4.4
143.60739	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	136.0755
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01847	0.4
56.96560	3.8
62.99295	0.4
65.03935	2.2
67.02972	0.6
68.99783	0.5
71.28860	0.9
74.97595	0.4
81.07050	0.6
91.05468	75.9
92.02449	0.9
92.05801	2.8
94.04045	5.1
107.04946	5.0
108.08112	0.5
109.05102	0.7
109.06490	1.3
111.00191	0.8
112.05073	0.7
117.05772	0.3
118.06523	2.3
119.02676	0.8
119.03548	14.8
119.04911	15.1
120.05296	0.5
122.03691	0.6
136.02138	1.3
136.06168	100.0
136.07510	8.4
137.04570	10.0
137.06480	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	136.0755
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.6
54.03459	2.6
55.01872	1.6
55.04252	0.7
58.02955	36.1
65.03943	4.8
65.04230	0.9
66.04710	5.2
66.96889	0.8
67.05503	4.4
68.05022	8.1
69.03403	1.7
71.12143	0.9
71.14025	1.9
71.14362	1.2
71.79622	0.8
76.03976	2.5
79.05485	10.1
80.04998	3.2
81.03410	2.3
81.04527	3.7
81.07041	7.5
81.17030	0.8
83.06104	1.3
83.14362	0.9
91.05470	37.9
92.05011	1.0
92.05786	1.9
92.06294	1.2
93.05792	1.7
93.07034	3.4
94.04176	43.0
94.06541	2.0
95.04955	5.1
95.06069	5.4
95.08601	4.1
96.04470	1.0
96.05624	0.9
96.06866	9.1
97.06393	6.1
104.05039	1.1
104.06240	1.7
105.04535	1.2
107.04933	4.5
107.06040	0.9
108.04464	1.6
108.08118	1.9
109.01072	6.1
109.06518	4.7
109.07626	8.8
109.10157	1.3
110.07154	4.8
117.05730	2.7
118.06535	27.5
119.03530	2.2
119.04952	1.6
119.05969	2.0
119.07323	47.0
120.07659	3.2
122.03637	65.1
122.07262	0.9
136.02151	61.0
136.03915	3.1
136.05093	2.3
136.06180	20.4
136.07562	27.8
136.08679	9.1
137.02467	4.1
137.05962	100.0
137.08052	4.0
137.09625	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	136.0755
Annotation	2-Phenylacetamide
Peak:m/z	Relative Intensity
55.01847	0.4
56.96560	3.8
62.99295	0.4
65.03935	2.2
67.02972	0.6
68.99783	0.5
71.28860	0.9
74.97595	0.4
81.07050	0.6
91.05468	75.9
92.02449	0.9
92.05801	2.8
94.04045	5.1
107.04946	5.0
108.08112	0.5
109.05102	0.7
109.06490	1.3
111.00191	0.8
112.05073	0.7
117.05772	0.3
118.06523	2.3
119.02676	0.8
119.03548	14.8
119.04911	15.1
120.05296	0.5
122.03691	0.6
136.02138	1.3
136.06168	100.0
136.07510	8.4
137.04570	10.0
137.06480	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	136.0756
Annotation	2-Phenylacetamide
Peak:m/z	Relative Intensity
51.88697	0.3
53.03936	0.9
54.03456	0.8
55.01852	0.7
56.05029	0.3
56.96555	0.9
65.03935	2.3
66.04736	0.5
67.02972	0.7
67.05489	1.9
68.05019	2.8
69.03427	1.6
69.04558	0.4
69.07028	0.5
69.92783	2.0
70.06572	0.8
71.77791	0.3
79.05492	2.5
80.05019	2.7
80.05795	0.8
81.03393	0.9
81.04526	2.4
81.07049	3.6
82.06573	0.9
83.06080	0.4
84.08122	1.0
89.83939	0.3
91.05470	53.9
92.02469	0.5
92.05807	2.1
93.05773	0.9
93.07022	2.6
94.04087	5.9
94.06567	0.9
95.01299	0.5
95.04963	2.1
95.06066	2.5
95.08599	3.5
96.05593	0.7
96.06865	2.9
97.06376	1.9
102.06841	0.3
106.06570	0.3
107.04942	2.9
107.29898	0.3
108.04528	0.6
108.05289	1.0
108.08130	2.7
108.08862	0.5
109.01109	3.9
109.02823	0.5
109.05130	1.0
109.06513	3.3
109.07636	4.3
109.10134	0.6
110.07143	1.3
112.05069	0.6
112.11227	0.3
117.05817	0.3
118.06529	4.9
119.01990	0.4
119.02684	0.6
119.03555	11.1
119.04918	11.4
119.05962	0.8
120.03867	0.3
121.59694	0.7
122.03626	2.2
122.07276	0.5
127.03854	0.3
131.01904	1.1
136.02158	32.1
136.03920	2.5
136.06169	100.0
136.07536	13.4
136.08607	3.1
137.02435	2.1
137.04576	9.2
137.05956	5.6
137.08029	1.7
137.09706	0.6
137.10674	0.7
142.38629	0.3
149.02972	0.6
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	Unknow
Peak:m/z	Relative Intensity
56.96532	0.3
70.06572	0.5
71.09763	0.3
71.10116	0.7
83.53950	0.3
91.05471	4.6
92.02466	0.5
92.05807	0.4
94.04047	4.4
94.92995	0.4
100.02442	0.6
107.04928	0.3
109.05129	0.7
112.05073	0.3
119.02684	0.6
119.03544	12.1
119.04916	1.2
131.01898	2.7
136.06172	100.0
137.04590	8.7
137.05771	1.0
137.06522	2.3
149.02982	0.7
153.60732	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	136.0617
Annotation	Adenine
Peak:m/z	Relative Intensity
55.11114	0.3
67.02979	0.4
70.90036	0.7
86.21957	0.3
87.40219	0.3
92.02496	0.8
94.04046	5.0
98.20963	0.4
101.61978	0.3
102.49789	0.3
109.05116	0.8
109.06517	0.3
112.05033	0.5
119.03542	14.0
120.03916	0.4
136.02167	1.9
136.06175	100.0
137.04587	8.5
137.06648	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
55.03001	0.2
56.96558	0.2
67.02986	0.7
70.09325	0.8
70.09734	0.3
82.38719	0.2
89.90691	0.2
91.05476	4.0
92.02492	0.8
94.04046	3.8
100.02462	0.2
107.04935	0.2
109.05102	0.5
112.05090	0.4
119.03544	10.3
119.04918	0.6
131.01903	0.7
136.06174	100.0
137.04585	7.9
137.06676	2.6
138.04921	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	136.0617
Annotation	Unknow
Peak:m/z	Relative Intensity
63.50872	0.3
67.02966	0.3
70.93294	0.8
80.05007	0.4
81.04484	0.4
81.07037	0.5
91.05463	1.2
92.02469	0.8
94.04055	4.3
95.04896	0.3
95.08601	0.5
96.06868	0.4
100.78287	0.2
102.54971	0.3
107.27461	0.2
107.77052	0.3
109.01105	0.3
109.05060	0.5
109.07633	0.4
109.53724	0.2
112.01230	0.3
112.05077	0.5
119.03538	11.3
120.03886	0.4
122.03642	0.8
136.02167	3.7
136.06168	100.0
137.04562	7.1
137.05872	1.9
137.06599	1.1
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
51.02378	1.6
52.79033	0.8
53.03942	8.5
54.03461	1.2
55.01862	3.8
55.05506	8.8
61.79715	0.9
65.03934	5.8
67.02989	1.6
67.05501	6.1
68.05022	10.0
69.03419	3.5
69.07050	2.8
71.07349	0.9
71.73946	1.5
77.03912	0.8
79.05487	47.8
80.05006	4.0
80.05812	1.7
81.03415	1.5
81.04528	1.3
81.07047	3.8
82.06568	1.5
87.05577	3.8
91.05470	73.8
92.04984	1.0
92.05799	2.4
93.05803	1.7
93.07036	46.3
94.04064	1.0
94.06567	1.6
94.07353	2.4
95.04960	16.6
95.06062	7.5
96.06859	10.7
103.05463	2.0
105.04507	2.5
105.07014	35.3
105.46243	0.9
106.07297	1.1
107.04943	15.5
107.08583	100.0
108.04459	2.2
108.08122	2.3
108.08935	5.2
109.01086	7.2
109.06516	13.7
109.07632	10.8
115.05450	5.4
117.06999	6.0
118.06523	3.4
119.03563	3.0
119.06072	6.1
119.08579	25.8
120.09400	7.4
124.05180	1.0
133.10135	2.4
135.04408	12.5
135.05492	2.1
135.06540	2.1
135.08058	22.1
135.10661	1.1
135.11682	26.8
136.02153	77.7
136.03859	2.3
136.05109	2.4
136.06180	34.3
136.07558	11.7
136.08681	12.7
136.12044	2.3
137.04596	2.7
137.09628	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1167
Annotation	o-Cymol
Peak:m/z	Relative Intensity
53.03944	8.3
53.37519	0.8
55.01852	3.1
55.05276	1.0
55.05511	10.9
55.05768	1.5
62.82290	0.9
65.03934	5.0
67.05496	46.7
68.05011	1.1
68.05827	1.5
69.03417	3.2
69.07057	9.3
71.75146	1.5
79.05483	79.2
80.04991	4.3
80.05811	2.6
81.03423	1.5
81.07047	32.5
82.07388	1.9
91.05467	37.5
92.05776	2.3
93.05807	2.2
93.07031	100.0
94.02924	0.9
94.04030	2.4
94.07347	3.9
94.07857	1.0
95.04961	14.0
105.04517	3.1
105.07025	11.0
107.04945	8.8
107.08579	56.3
108.04474	1.4
108.08118	2.2
108.08924	3.9
109.01088	11.9
109.06509	3.8
112.03909	1.0
115.05436	3.9
117.07001	2.3
118.06517	2.3
119.03526	3.0
119.06037	1.7
119.08582	4.8
120.09420	1.4
126.05488	1.0
135.04402	7.0
135.05528	2.4
135.06514	1.7
135.06941	1.0
135.08057	12.6
135.09077	1.4
135.11679	48.8
136.02144	98.9
136.03903	3.7
136.05070	2.3
136.06169	33.5
136.07542	11.5
136.08456	1.6
136.11108	2.0
136.12044	4.3
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	134.0601
Annotation	o-Tolyl isocyanate
Peak:m/z	Relative Intensity
53.03939	0.9
55.01851	0.7
59.06125	0.3
60.04510	0.6
67.05516	0.3
70.43911	0.9
74.02435	0.5
75.05593	0.5
79.05486	33.6
80.05015	0.6
80.05815	1.2
87.05586	1.4
91.05463	1.5
93.07056	0.9
95.04953	1.3
98.20753	0.3
100.54096	0.4
105.07002	0.4
106.06545	100.0
107.00728	0.4
107.04951	2.7
107.06138	0.8
107.06877	5.5
107.08550	1.5
115.05468	0.4
116.01328	0.4
117.06995	0.4
134.06012	14.9
134.07056	1.7
134.09634	0.9
135.04466	2.0
135.05424	0.6
135.06432	1.1
135.08023	0.7
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
51.22814	0.6
51.64816	0.6
53.03944	6.5
55.01852	2.5
55.05511	10.3
65.03928	2.7
67.05501	39.1
68.05006	1.3
68.05840	1.0
69.03416	3.1
69.07061	7.7
71.72791	1.0
77.03912	1.3
79.05489	62.8
80.04995	3.0
80.05805	3.2
81.07053	27.2
81.07540	1.1
82.07362	1.4
91.05472	31.4
92.02581	0.9
92.05807	1.9
93.07037	78.1
94.04047	0.9
94.06543	0.7
94.07353	3.7
95.04961	13.3
105.04516	2.7
105.07024	7.5
106.07343	0.8
107.04962	6.9
107.08588	46.1
108.04494	1.5
108.08123	2.5
108.08919	3.6
109.01096	10.0
109.06520	3.5
112.03918	1.2
115.05458	2.7
117.07025	1.4
118.06528	2.2
119.03535	2.5
119.06040	1.2
119.08582	3.0
133.10153	1.4
135.04416	5.1
135.05533	2.7
135.06601	2.1
135.08072	13.3
135.11682	37.5
136.02156	100.0
136.03915	4.5
136.05164	1.9
136.06175	34.5
136.07552	11.6
136.08502	1.3
136.12048	3.5
137.04584	2.2
153.51163	0.7
154.05086	0.7
154.17633	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	134.06
Annotation	o-Tolyl isocyanate
Peak:m/z	Relative Intensity
53.03942	0.6
53.29096	0.2
71.38580	0.6
74.02446	0.3
77.03925	0.3
79.05485	31.2
80.05793	1.5
87.05572	0.4
87.52266	0.2
89.76063	0.3
91.05457	0.7
95.04945	0.6
98.33666	0.2
106.06542	100.0
107.04969	1.2
107.06191	0.3
107.06875	5.3
120.33907	0.3
128.52786	0.3
134.06001	13.5
134.06905	0.5
135.04414	0.7
135.06357	1.0
135.09134	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	134.0448
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.0
53.95787	0.8
54.04288	0.8
55.01846	2.0
55.05514	1.0
56.05030	2.4
56.96550	4.7
57.03432	2.3
57.91469	0.8
58.06596	8.8
58.21006	0.8
59.04978	2.8
60.08152	1.7
61.01144	5.8
61.89223	0.8
62.01095	0.9
62.01470	3.0
63.00719	3.0
67.05486	1.1
68.05041	0.8
69.03413	0.9
70.02939	2.6
70.06581	6.4
71.05006	4.1
71.74464	0.8
72.08143	3.7
73.02901	1.8
74.02435	100.0
74.06064	5.1
75.02764	1.5
76.07639	6.5
78.00420	0.8
79.05483	12.7
80.05035	0.8
85.02872	1.5
86.03230	0.9
86.06049	4.0
87.02686	1.8
88.02188	1.7
88.03108	7.0
88.03983	48.2
88.07634	5.3
89.02260	4.0
89.04312	1.2
90.09189	2.7
91.05476	3.6
92.90092	0.9
93.07026	2.3
95.04938	2.2
100.02502	1.6
102.09164	1.6
105.07013	1.8
106.06558	18.2
106.07333	3.4
107.04948	6.0
107.08578	3.3
111.02911	1.1
116.03445	2.5
116.05796	1.0
116.07104	1.3
116.10716	1.4
118.03490	1.6
119.01888	2.6
119.07325	0.9
120.62374	0.9
124.02451	1.5
128.23676	0.8
134.03607	2.1
134.04494	1.9
134.04974	1.1
134.06001	13.9
134.07013	2.6
134.09619	3.9
134.11751	15.1
135.04416	5.7
135.05492	2.0
135.06520	0.9
135.08054	2.5
135.11652	1.0
137.02942	0.8
142.03468	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	133.1011
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	1.1
53.03939	3.3
55.01863	2.5
55.05506	3.2
56.96557	0.5
60.87180	0.5
65.03925	1.8
65.93913	0.5
67.05474	1.1
68.72523	0.5
69.03419	0.5
69.25626	0.6
70.36109	1.7
74.02428	1.8
76.15779	0.5
77.03934	2.3
78.04671	0.6
79.05486	15.9
80.05796	0.6
88.03954	0.6
90.04699	0.7
91.05470	29.2
92.05779	0.9
93.07032	6.0
95.04960	4.8
103.04826	0.7
103.05460	9.9
105.03406	3.0
105.04500	1.2
105.07017	100.0
106.06544	4.0
106.07349	3.8
107.08582	1.8
115.04671	0.5
115.05442	10.7
116.06220	1.8
116.07014	0.5
117.07008	11.1
118.04151	2.1
118.07796	10.1
119.08169	0.7
129.06966	0.7
131.08557	8.7
133.02829	2.9
133.06485	21.4
133.10110	95.9
134.05986	5.8
134.06982	1.8
134.09595	1.3
134.10469	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	133.1011
Annotation	Tetralin
Peak:m/z	Relative Intensity
51.02373	1.1
53.03947	2.4
55.01863	1.5
55.05507	3.9
65.03931	1.0
67.05508	1.1
70.80577	1.4
70.80905	0.7
74.02426	0.8
77.03920	2.4
79.05484	10.9
80.05779	0.8
91.05475	30.0
92.05798	1.1
93.07043	5.8
95.04978	3.1
103.05466	8.5
104.97021	0.5
105.03382	1.2
105.07023	100.0
106.06694	0.7
106.07346	4.1
107.08567	1.1
112.18788	0.6
115.05448	8.8
116.06258	1.4
117.07008	8.2
118.04118	1.5
118.07806	9.3
129.06955	0.8
131.08556	8.4
133.02869	2.2
133.06488	14.0
133.10118	74.6
134.06007	2.1
134.06973	1.4
134.09610	0.8
134.10484	4.2
141.75072	0.6
146.41988	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	134.0447
Annotation	D-Aspartate
Peak:m/z	Relative Intensity
53.03949	0.9
55.01861	1.1
56.05030	1.1
57.03428	1.7
58.06586	4.2
61.01135	1.7
62.01460	1.2
63.00743	0.8
63.27383	0.8
70.02946	3.1
70.06577	8.9
70.28797	1.2
70.29085	4.4
71.04987	7.7
72.08139	3.2
72.23061	0.9
73.02905	2.2
74.02431	100.0
74.06075	2.5
75.02753	3.9
76.07639	1.3
79.05483	7.0
82.99838	0.8
86.06032	2.5
88.03080	1.7
88.03982	48.9
88.07616	8.5
89.02242	1.2
89.04297	1.3
90.09165	2.2
98.06026	2.0
102.09180	0.9
106.06552	11.5
106.07260	0.9
107.04940	1.7
107.06904	1.1
107.08603	1.1
110.07146	1.2
111.02949	1.3
116.03465	2.8
116.07028	1.2
119.01895	2.8
119.66113	1.0
123.63581	0.9
125.40304	0.8
134.04475	1.6
134.06013	5.9
134.06985	1.6
134.09627	1.6
134.11726	6.3
135.04333	1.3
142.03479	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	134.0449
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81852	0.3
51.74759	0.3
53.33097	0.3
55.01857	0.3
56.96548	1.6
57.03429	0.9
57.92538	0.3
58.99858	0.6
60.04517	0.3
64.26467	0.3
65.03921	0.3
67.05498	0.4
68.00372	0.9
68.41117	0.3
69.03428	0.4
69.78250	2.1
70.50636	1.0
77.00906	1.7
78.00740	0.5
79.05492	0.9
79.51157	5.5
80.01189	1.0
80.05070	0.3
80.51047	1.1
82.01422	1.0
86.52654	0.4
87.05601	0.6
88.20841	0.3
88.51688	46.9
89.01730	13.3
89.51546	11.2
89.97110	0.3
90.01591	0.4
91.01966	0.6
91.05452	0.8
91.52012	0.4
92.01826	0.3
93.01801	0.3
93.53429	0.4
95.53225	0.5
97.52203	4.4
98.02264	1.5
98.52080	1.5
98.97633	0.8
100.02470	12.7
100.52523	2.9
101.00864	0.8
101.02307	2.3
101.47942	0.5
102.02295	0.5
105.07010	0.4
107.04954	0.7
107.08619	0.5
107.98162	0.8
109.02983	0.5
110.48441	1.1
111.02916	0.8
111.53255	0.9
116.98670	4.5
117.03942	0.6
117.06973	0.6
117.48730	1.3
117.98586	1.1
118.03520	1.4
119.01912	4.3
119.03619	0.4
119.48924	3.0
119.99023	1.4
120.02013	1.0
120.03312	0.4
120.48879	1.1
121.01626	1.5
123.04943	0.4
123.53471	0.4
125.99213	21.9
126.49249	6.8
126.99078	6.0
127.49097	0.6
128.06239	0.5
128.49471	20.8
128.99521	6.3
129.03911	0.5
129.04773	0.5
129.06975	0.5
129.49347	8.1
130.06245	0.5
130.99770	0.8
131.01875	0.7
131.49767	0.4
134.05972	0.8
134.07033	0.4
134.99678	1.0
137.02943	1.3
137.49995	100.0
138.00041	30.9
138.03009	0.5
138.49861	36.4
138.99933	2.6
139.02681	1.0
139.06772	0.4
140.00267	4.2
140.50314	1.6
140.53604	0.3
141.00162	1.5
141.50092	0.5
142.03511	2.8
142.07739	0.9
143.03600	0.8
143.08519	0.9
144.03210	0.9
146.50566	1.8
147.00558	0.9
147.04996	0.7
147.50511	0.4
149.00795	15.1
149.50848	4.9
150.00658	5.1
150.50719	0.7
154.03450	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1011
Annotation	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
53.03942	3.1
55.01867	1.5
55.05508	3.1
59.03505	0.5
59.94385	0.4
65.03925	1.0
67.05504	0.7
70.06585	0.5
70.32700	1.7
74.02427	1.2
77.03918	1.5
79.05486	12.3
89.57170	0.5
91.05472	30.3
92.05786	0.8
93.07027	7.0
95.04966	3.8
103.05454	7.2
105.03395	1.6
105.07018	83.7
106.06548	2.4
106.07355	3.9
107.06032	0.6
107.08588	2.2
108.08855	0.5
115.05444	8.4
116.06209	1.7
117.07011	10.5
118.04132	1.2
118.07795	10.6
129.07014	0.5
131.08546	7.8
133.02849	1.9
133.06502	11.9
133.10112	100.0
134.05986	3.5
134.07014	1.8
134.09569	0.9
134.10437	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	133.1011
Annotation	Tetralin
Peak:m/z	Relative Intensity
51.02377	0.3
53.03932	2.3
55.01866	1.7
55.05503	1.9
56.65889	0.3
57.20242	0.4
58.05336	0.5
61.77220	0.3
65.03931	0.9
67.05502	0.8
70.40588	0.6
70.40981	0.7
75.05600	0.5
77.03919	0.9
79.05482	15.7
80.05818	0.3
80.09240	0.3
81.03416	0.3
91.05469	24.8
92.05782	0.7
93.07029	4.5
95.04952	4.2
103.05458	9.2
105.03400	0.8
105.04520	1.1
105.07017	100.0
106.06567	0.9
106.07349	4.5
107.04938	0.8
107.08569	1.2
115.05444	9.5
115.06223	0.7
116.06229	1.3
117.07008	7.6
118.04133	0.5
118.07800	6.7
129.07018	0.9
130.77524	0.3
131.04900	0.7
131.08559	9.2
132.08904	0.7
133.02905	0.8
133.06480	36.6
133.10112	51.3
134.05965	1.2
134.06895	2.3
134.07938	0.3
134.09613	0.7
134.10469	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	133.101
Annotation	Tetralin
Peak:m/z	Relative Intensity
51.02370	0.6
53.03939	2.0
55.01864	0.8
55.05508	4.5
65.03929	1.3
67.05491	3.7
70.60016	2.4
77.03947	0.9
79.05486	11.3
91.05467	52.8
92.05808	2.4
93.07030	2.4
95.04947	2.5
103.05453	4.9
104.06213	0.8
105.03386	0.9
105.07018	100.0
106.06650	1.1
106.07346	4.0
109.16111	0.6
112.11241	0.7
115.05467	2.9
117.07021	2.8
118.07793	3.3
131.08553	6.5
133.02812	0.9
133.06491	10.8
133.07500	1.4
133.10107	31.4
134.05974	3.1
134.06877	1.1
134.09546	1.2
134.10464	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	133.0648
Annotation	2-Indanone
Peak:m/z	Relative Intensity
50.01594	2.1
51.02376	10.2
53.03941	14.3
53.26226	0.6
54.04270	1.2
55.01873	6.3
55.05513	1.0
56.76369	0.6
58.05326	1.4
60.35522	0.6
61.61062	0.6
65.03936	1.7
66.04711	1.3
67.05489	2.1
69.42316	0.6
71.75047	1.4
73.02927	0.6
74.02431	2.1
74.56804	0.8
77.03925	40.6
78.04268	1.5
79.01839	1.8
79.05034	1.0
79.05488	19.5
81.03380	1.0
81.59315	0.6
85.04023	0.8
87.10028	1.1
88.03975	0.9
90.04678	1.5
91.05476	11.1
93.07025	1.9
95.04961	25.9
96.05299	1.7
103.05454	15.8
104.05756	1.3
105.02663	1.1
105.03391	40.2
105.04449	6.1
105.07022	100.0
106.03748	1.9
106.06588	1.6
106.07357	4.6
107.04913	1.8
107.06068	1.2
111.04417	0.9
115.05459	7.0
117.06948	1.1
118.04153	7.8
118.06566	0.7
118.07778	0.9
119.04480	0.7
131.04880	1.8
131.08557	2.1
133.02844	83.3
133.06482	74.3
133.07469	2.2
133.10101	8.8
134.03165	6.6
134.05981	5.8
134.06902	6.1
134.09637	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	133.0647
Annotation	2-Indanone
Peak:m/z	Relative Intensity
53.03927	2.7
55.01868	6.4
58.05319	1.2
65.03925	1.4
66.04704	1.9
69.03413	1.2
69.45709	7.4
74.02425	2.1
77.03905	1.8
79.05483	19.0
87.05571	1.3
88.03931	0.8
89.03945	0.8
90.04682	3.1
91.05470	10.6
95.04965	4.4
97.02943	0.7
103.05453	12.6
105.03371	2.7
105.07017	100.0
106.06543	4.2
106.07339	4.2
107.04965	0.9
114.18648	0.7
115.05444	6.5
117.07025	1.1
118.04153	9.0
118.07816	0.9
130.70959	0.7
131.04884	1.3
131.08601	1.6
133.02815	2.8
133.06476	73.3
133.10103	11.7
134.05988	6.6
134.06943	5.0
134.09589	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0647
Annotation	2-Indanone
Peak:m/z	Relative Intensity
51.02370	0.7
53.03935	2.9
53.89684	0.4
55.01866	4.0
55.05502	1.6
56.05040	0.6
58.05330	1.7
66.04703	0.5
67.05499	0.6
70.06588	1.0
71.05762	1.1
72.08140	0.9
74.02455	0.5
74.06050	0.6
75.05582	1.2
77.03932	1.3
79.05489	18.5
80.05000	0.5
80.05817	0.6
85.04021	1.3
86.06065	0.5
87.05553	0.6
91.05473	11.3
93.04552	0.5
93.07037	1.9
95.04964	3.6
98.09694	0.6
103.05463	11.7
104.19411	0.5
105.03374	1.9
105.04508	1.4
105.07021	100.0
106.06551	2.8
106.07355	3.7
107.04916	1.1
107.06064	0.7
115.05464	6.0
117.07026	2.9
118.04149	1.7
118.07761	0.9
119.07295	0.5
131.04936	1.3
131.08548	2.3
133.02870	1.8
133.06480	61.2
133.10115	12.8
134.05995	3.6
134.06834	4.3
134.09630	2.8
134.10521	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0646
Annotation	2-Indanone
Peak:m/z	Relative Intensity
51.02364	0.4
53.03941	1.8
55.01870	3.2
55.05495	0.8
58.05327	0.4
65.03934	0.5
67.05492	0.5
68.88181	0.2
71.74261	0.2
74.02437	0.2
74.06054	0.4
75.05576	0.3
77.03913	0.9
78.04707	0.2
79.05486	17.1
80.05817	0.6
84.08138	0.2
89.03878	0.2
91.05473	10.4
92.05797	0.4
93.07033	1.5
94.04196	0.4
95.04958	3.9
102.43303	0.2
103.05461	11.6
104.05804	0.5
105.07021	100.0
106.06561	0.6
106.07344	5.1
107.04959	1.2
107.08549	0.4
115.05453	6.8
116.06262	0.4
117.06995	2.3
117.40175	0.2
118.04108	0.4
118.07799	2.2
129.07040	0.4
131.04919	1.7
131.08554	2.4
132.05756	0.4
133.06480	68.0
133.10112	18.0
134.05942	0.4
134.06825	4.2
134.09563	0.4
134.10451	1.1
143.06081	0.2
149.56979	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0647
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02366	0.7
53.03935	3.0
55.01872	3.8
55.05496	1.8
57.03434	0.4
57.04553	0.5
58.05350	2.9
58.06610	0.6
60.04517	0.5
65.03921	0.7
66.03437	0.4
69.03434	0.8
70.06572	1.7
71.19966	0.8
71.20298	0.7
72.08128	1.1
73.02904	0.7
74.02448	0.8
74.06083	0.6
75.05589	2.2
77.03924	1.4
79.05489	17.0
84.08126	0.7
85.04033	2.0
87.05582	1.5
88.02197	0.6
88.03991	0.6
91.05472	14.7
92.05779	0.9
93.04494	0.5
93.07049	2.2
95.04968	5.3
103.05458	10.8
105.03380	1.9
105.04527	1.3
105.07021	100.0
106.06553	3.3
106.07360	5.4
107.04934	1.2
107.06074	1.3
107.08578	0.6
108.08118	0.9
115.05459	7.2
116.06281	0.6
117.06997	3.3
118.04153	1.1
118.07827	2.5
123.02684	0.4
131.04950	1.4
131.08554	4.3
133.02896	2.8
133.06488	56.3
133.10117	25.0
133.11162	0.8
134.01863	1.2
134.05994	3.5
134.06963	4.7
134.09624	2.0
134.10522	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0647
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	0.4
53.03931	1.6
55.01871	2.0
55.05505	2.3
65.03948	0.4
67.05496	0.8
70.07313	0.6
70.07724	1.7
77.03905	0.9
79.05485	15.6
80.05838	0.5
81.03406	0.3
87.18812	0.4
91.05473	23.1
92.05792	1.1
93.07027	4.3
94.04173	0.4
95.04962	4.2
98.21365	0.5
101.45187	0.4
103.04756	0.5
103.05457	10.4
105.03429	0.7
105.04523	1.4
105.07017	100.0
106.06626	0.7
106.07327	4.6
107.04939	0.9
107.08588	1.2
115.05447	8.4
115.06219	0.6
116.06273	1.0
117.06998	7.3
118.04114	0.4
118.07796	7.2
129.07039	0.6
131.04929	0.8
131.08551	8.7
132.05696	0.5
132.08925	0.4
133.06480	41.3
133.10112	48.5
134.05971	1.0
134.06883	2.4
134.09590	0.6
134.10449	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	133.0648
Annotation	2-Indanone
Peak:m/z	Relative Intensity
51.02378	0.5
53.03947	1.7
54.04275	0.3
55.01863	3.8
55.05515	0.5
57.03413	0.4
57.04548	0.7
58.02955	0.4
58.05329	1.8
59.06124	0.5
67.05504	0.5
69.51067	2.6
70.06594	0.4
72.08138	0.4
73.02894	0.4
74.02432	0.6
75.05600	1.6
76.04004	0.3
77.03904	0.9
79.05484	18.1
80.05830	0.7
84.08125	0.3
85.04022	1.1
87.05577	0.9
88.03964	0.4
91.05479	3.9
93.07040	0.5
94.04202	0.3
95.04964	3.6
96.05283	0.5
98.21448	0.6
103.05460	12.0
104.04973	0.8
104.05762	0.7
105.03401	1.1
105.05348	2.7
105.07020	100.0
106.06544	4.6
106.07353	4.8
107.04907	1.5
107.06073	0.5
112.11241	0.5
115.05460	5.2
117.07040	0.5
131.04930	2.0
131.08565	0.8
132.05690	0.6
133.02870	0.8
133.04822	4.1
133.06479	76.0
133.10110	4.6
134.05963	1.5
134.06859	4.6
134.09645	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0646
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02371	0.3
53.03938	2.0
55.01868	3.5
55.05500	0.5
58.05336	1.0
58.45383	0.2
65.03940	0.5
67.05497	0.7
70.06577	0.3
70.42003	0.5
70.42413	0.8
73.02905	0.3
74.02407	0.4
75.05591	0.8
77.03922	0.9
79.05486	17.0
80.05805	0.5
85.04019	0.6
85.11826	0.2
87.05579	0.6
88.02223	0.3
91.05470	8.3
92.05814	0.3
93.07037	1.4
95.04958	3.8
103.05455	11.0
104.05780	0.6
105.07018	100.0
106.06559	1.2
106.07350	5.1
107.04952	1.4
107.06068	0.4
107.08604	0.3
112.11217	0.4
115.05445	6.0
116.06322	0.4
116.07040	0.2
117.07014	1.9
118.04109	0.3
118.07792	1.4
131.04930	1.9
131.08549	2.2
132.05672	0.5
133.02841	1.1
133.06477	69.6
133.10114	13.5
134.05952	1.6
134.06880	4.5
134.09593	0.7
134.10475	0.8
143.06024	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0317
Annotation	THTC
Peak:m/z	Relative Intensity
53.03944	7.0
55.01868	7.6
55.05501	1.0
56.05034	1.3
56.96544	1.6
57.03429	6.8
57.92402	0.8
58.06591	3.7
58.17185	0.7
58.99582	13.3
59.04984	1.9
59.96721	2.8
61.01144	78.8
62.01458	0.9
69.03423	1.6
70.02943	1.9
70.06586	4.1
71.04973	1.8
71.74208	1.2
72.00342	2.8
74.02434	42.9
74.06071	4.9
74.99064	5.3
75.02712	4.4
75.05607	1.1
76.07634	2.3
77.00632	5.3
77.03896	0.8
77.68539	0.8
79.05499	4.7
85.01122	9.8
85.02898	9.8
86.06071	0.9
86.09726	0.7
86.99065	0.8
87.02682	100.0
87.05567	6.5
87.10026	1.7
88.03014	2.3
88.03980	17.1
88.07631	1.7
88.94428	0.6
91.02159	3.4
91.05482	4.9
91.23864	0.7
95.04966	1.8
97.02890	1.5
98.06033	1.0
103.05482	1.1
105.00087	5.0
105.03758	1.9
105.07015	15.0
106.06549	3.1
114.60493	0.7
115.05441	2.8
115.08672	1.0
116.03443	1.9
116.07092	1.3
116.10751	1.8
117.06970	0.7
133.03175	20.8
133.06516	7.9
133.07535	1.5
133.10153	4.1
134.03520	0.9
134.06000	2.5
134.06989	1.1
134.09663	0.8
134.11743	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	133.0318
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	9.4
55.01868	36.3
55.05498	1.8
56.05024	2.6
56.96564	4.4
57.03435	7.5
58.06588	2.7
58.99582	14.4
59.04999	1.6
59.96715	4.0
60.04515	0.8
60.08156	1.3
60.95837	2.4
61.01146	89.9
61.02911	0.8
62.01463	1.4
65.03925	2.8
67.05488	1.6
69.03427	4.7
69.07043	1.0
70.02958	0.8
70.06590	4.1
70.07383	4.1
70.87094	1.6
70.99561	0.8
71.01334	2.2
71.04977	3.9
71.06936	0.8
72.00343	3.3
72.93779	2.1
73.02910	6.2
74.02434	16.5
74.06066	4.2
74.99066	5.4
75.02697	5.2
75.34158	0.7
75.51488	0.8
76.07621	0.9
77.00613	5.5
77.03927	2.0
79.05489	17.3
81.03416	2.0
83.01290	0.9
83.04977	0.7
83.37252	0.8
84.01563	1.1
84.08119	0.9
85.00662	0.9
85.01125	9.0
85.02901	12.0
86.06054	1.4
86.09702	5.1
86.99059	0.8
87.02683	100.0
87.04463	2.3
87.05594	1.8
87.09438	0.7
87.10025	16.9
88.02193	1.6
88.03053	1.7
88.03988	7.2
88.07623	1.8
91.02172	2.7
91.05472	17.7
92.04993	2.1
93.07005	1.4
95.04953	6.4
97.02889	3.2
98.06027	1.2
103.05464	10.6
105.00076	5.2
105.03386	3.2
105.04451	1.2
105.07021	61.1
106.06537	7.4
106.07359	2.2
115.04031	1.0
115.05442	15.1
115.08588	0.7
116.07083	1.8
117.07047	1.2
118.07724	1.0
119.01926	1.4
120.04183	0.8
120.97897	0.8
131.08536	1.5
133.03198	19.1
133.06487	39.9
133.07564	3.5
133.10115	12.5
134.03479	1.6
134.05998	6.3
134.06894	1.6
134.09645	2.8
134.11754	4.7
140.83589	0.7
150.96884	1.6
153.60779	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0607
Annotation	[(ammonioacetyl)amino]acetate
Peak:m/z	Relative Intensity
53.03936	2.1
55.01875	0.9
56.05018	1.3
57.03423	1.9
58.06603	3.1
58.99589	2.9
59.04971	0.7
59.96718	0.7
60.04512	0.7
60.95855	0.7
61.00842	1.0
61.01146	17.9
62.96955	0.6
69.03414	0.6
69.05357	1.4
70.02940	4.8
70.06579	6.3
71.04989	5.5
71.67381	0.8
72.08147	1.0
73.02908	1.0
74.02434	100.0
74.06071	2.1
74.99051	1.0
75.02731	1.4
75.05598	3.2
76.07648	2.0
77.00607	1.2
79.05489	2.8
79.55363	0.5
84.04504	0.6
85.01119	2.3
85.02886	2.9
85.04828	1.1
86.06060	1.6
86.09711	1.7
87.02686	23.0
87.05589	20.9
87.06359	3.2
87.09515	1.0
87.10038	4.0
88.03136	1.0
88.03984	24.1
88.07623	5.8
90.09185	1.3
91.02161	0.8
91.05479	1.1
98.06039	1.0
99.00821	0.7
102.09181	0.7
105.00085	1.3
105.07001	3.4
106.06541	5.1
111.53029	0.5
115.08691	1.0
116.03445	6.3
116.07133	1.3
119.01924	1.6
133.03169	4.0
133.06079	1.5
133.09732	1.2
134.04504	1.4
134.06024	2.4
134.11726	4.7
142.03523	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	132.0807
Annotation	6-Methyl indole
Peak:m/z	Relative Intensity
50.62952	0.6
53.03934	2.3
53.89305	0.5
54.52026	0.6
55.01865	1.2
55.05493	1.1
56.05026	1.0
57.03420	2.1
57.04515	0.8
58.02950	0.9
58.05333	2.2
58.06584	2.3
59.06115	0.9
60.04504	0.8
68.05006	1.3
69.03422	1.0
69.07072	1.5
70.06587	1.8
71.04985	0.6
71.28516	1.4
72.04492	1.7
72.08122	2.1
72.93778	2.1
73.02896	1.2
73.04022	0.9
74.06061	1.2
75.05596	5.2
77.03931	1.1
79.05498	4.0
84.04498	1.4
84.05656	0.6
84.08125	0.9
85.04031	1.5
86.00653	0.7
86.06075	3.5
86.09701	6.9
87.05576	2.2
90.90382	4.2
91.05100	0.6
91.05489	6.0
93.05779	0.9
95.04965	2.1
96.04438	0.7
103.05450	2.4
104.04993	6.3
104.05667	1.1
105.03395	1.7
105.04525	1.0
105.07024	26.9
106.06607	1.0
115.05461	21.5
116.05742	1.1
116.07107	0.7
117.05753	64.1
118.06086	3.6
124.88780	0.6
130.06528	8.1
131.07333	6.1
131.08264	0.8
131.08569	0.7
132.04449	10.8
132.08081	100.0
133.02905	1.5
133.05043	1.2
133.06470	8.8
133.07573	1.8
133.08472	5.5
133.10118	4.6
143.06047	1.2
143.48849	0.6
149.94060	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	132.1019
Annotation	DL-tert-Leucine
Peak:m/z	Relative Intensity
55.05508	24.9
56.05033	2.4
56.96570	1.2
57.03421	1.5
58.06589	3.5
59.05000	6.4
61.01141	2.1
68.05016	2.8
69.03403	1.0
69.07061	18.9
69.96500	4.4
69.96918	2.5
70.06213	1.9
70.06586	29.3
70.07381	1.2
71.06909	1.4
72.04520	1.5
72.05613	2.8
72.08140	1.8
74.06072	1.6
75.16895	1.0
83.04974	11.4
84.08149	1.3
86.06046	3.7
86.09700	100.0
87.02689	3.4
87.10027	5.1
90.90382	4.8
98.06042	2.1
101.06008	21.2
114.09172	8.1
115.08693	1.2
132.07622	1.3
132.10236	7.5
132.13824	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	132.102
Annotation	Isoleucine
Peak:m/z	Relative Intensity
56.79858	0.5
56.96544	0.9
69.07059	4.2
70.06583	0.8
70.89919	1.3
70.90285	1.1
70.92654	0.6
81.49399	0.5
86.09698	100.0
87.10014	3.9
94.38024	0.6
115.77534	0.6
132.10130	1.0
138.37437	0.6
151.83076	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0317
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	7.0
55.01868	7.6
55.05501	1.0
56.05034	1.3
56.96544	1.6
57.03429	6.8
57.92402	0.8
58.06591	3.7
58.17185	0.7
58.99582	13.3
59.04984	1.9
59.96721	2.8
61.01144	78.8
62.01458	0.9
69.03423	1.6
70.02943	1.9
70.06586	4.1
71.04973	1.8
71.74208	1.2
72.00342	2.8
74.02434	42.9
74.06071	4.9
74.99064	5.3
75.02712	4.4
75.05607	1.1
76.07634	2.3
77.00632	5.3
77.03896	0.8
77.68539	0.8
79.05499	4.7
85.01122	9.8
85.02898	9.8
86.06071	0.9
86.09726	0.7
86.99065	0.8
87.02682	100.0
87.05567	6.5
87.10026	1.7
88.03014	2.3
88.03980	17.1
88.07631	1.7
88.94428	0.6
91.02159	3.4
91.05482	4.9
91.23864	0.7
95.04966	1.8
97.02890	1.5
98.06033	1.0
103.05482	1.1
105.00087	5.0
105.03758	1.9
105.07015	15.0
106.06549	3.1
114.60493	0.7
115.05441	2.8
115.08672	1.0
116.03443	1.9
116.07092	1.3
116.10751	1.8
117.06970	0.7
133.03175	20.8
133.06516	7.9
133.07535	1.5
133.10153	4.1
134.03520	0.9
134.06000	2.5
134.06989	1.1
134.09663	0.8
134.11743	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	131.0491
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02381	0.5
53.03945	3.3
55.01869	0.2
56.05036	0.3
56.96559	0.6
57.03421	0.3
57.70156	0.2
58.69122	0.1
62.19437	0.2
69.03418	0.3
70.03748	0.5
70.41329	0.5
72.08157	0.3
77.03921	0.6
81.03404	0.5
84.04493	0.6
85.02917	0.3
85.04839	1.6
85.08471	0.6
86.00605	0.2
86.06069	0.2
86.09703	0.8
87.05578	0.3
90.01564	0.2
91.05474	1.9
95.04959	6.8
98.97594	0.4
102.04673	1.1
103.05459	100.0
104.05072	0.3
104.05786	5.1
105.04504	1.5
105.07001	0.2
109.83549	0.1
113.07211	0.3
113.07922	1.7
116.06229	0.4
116.98586	0.2
119.01747	0.2
129.06975	0.3
131.04919	9.3
131.06830	0.8
131.08507	1.2
131.88506	0.1
132.04408	0.3
132.05302	0.5
132.08037	0.4
132.08934	0.2
144.08131	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	132.0444
Annotation	Benzoyl cyanide
Peak:m/z	Relative Intensity
51.02371	1.4
53.03716	0.4
53.03942	5.2
53.92289	0.3
53.96012	0.3
55.01870	2.2
55.05493	0.3
56.05024	0.7
56.73458	0.3
56.96548	0.3
57.03421	1.0
57.04557	0.6
58.02947	0.6
58.05336	1.1
58.06591	1.1
59.06120	0.5
60.04525	0.5
68.04995	0.3
69.03400	0.4
69.07067	0.7
70.06590	0.7
71.06128	0.3
71.29588	0.8
72.04500	1.0
72.08142	1.3
72.93818	0.4
73.02897	0.4
74.06062	0.4
75.05595	2.1
77.03922	2.1
78.03448	0.4
78.16212	0.3
78.78107	0.3
79.05484	7.3
81.03413	1.0
82.36037	0.3
84.04506	0.4
84.05610	0.3
85.04033	0.8
85.92378	0.3
86.00635	0.7
86.06042	1.2
86.09698	3.4
87.05585	1.5
90.90355	1.5
90.94865	0.3
91.05500	2.3
93.07063	0.5
95.04958	13.0
96.04476	1.7
96.05221	0.4
103.05465	5.3
104.04981	80.1
105.03411	2.3
105.04523	2.7
105.05323	2.8
105.07018	45.4
107.04910	0.5
115.05469	3.2
117.05764	0.7
117.06991	0.5
117.74536	0.3
131.04909	1.4
131.08551	0.6
132.04437	100.0
132.08038	1.1
133.02843	1.0
133.04938	4.9
133.06477	36.7
133.10115	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	131.0491
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	0.4
53.03942	2.9
53.59028	0.2
54.04287	0.2
55.01867	0.2
56.96559	0.6
57.03436	0.3
69.03416	0.4
70.03750	0.4
71.75975	0.3
77.03917	0.6
81.03410	0.3
84.04494	0.4
85.04819	1.2
85.08440	0.2
86.09693	0.5
91.05473	1.0
95.04957	6.4
102.04685	1.0
103.05456	100.0
104.05788	4.8
105.04491	1.2
113.07898	1.0
113.41612	0.2
115.05465	0.2
116.06200	0.2
118.81233	0.2
131.04913	10.1
131.08563	0.6
132.05246	0.4
145.90494	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0491
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	0.5
52.86248	0.2
53.03938	3.5
53.90767	0.2
55.01864	0.5
55.91045	0.2
56.01382	0.3
56.05023	0.9
56.96554	0.8
57.03427	0.6
57.05369	0.3
57.07046	0.3
57.49702	0.2
58.06590	0.8
59.06115	0.6
60.04514	0.4
64.88824	0.2
68.05026	0.4
69.03423	0.9
69.04567	0.3
70.03749	0.9
70.06582	0.7
70.27726	0.8
70.28123	0.5
71.83904	0.3
72.04497	0.5
72.08143	0.9
73.08482	0.4
74.06048	0.3
75.83969	0.2
77.03925	0.6
81.03437	0.4
83.02460	0.4
83.06092	0.3
84.04498	1.0
84.08142	0.8
85.02914	0.3
85.04820	2.0
85.07774	0.3
85.08458	1.7
86.03239	0.2
86.06049	1.2
86.09705	1.9
87.05592	0.4
88.07644	0.3
91.05471	6.4
92.05819	0.4
95.04958	6.4
96.05328	0.3
98.04789	0.6
102.04671	0.9
102.08167	0.2
103.05457	100.0
104.04995	1.0
104.05795	5.2
105.04487	1.6
113.07144	0.7
113.07934	3.2
114.09195	0.3
114.55388	0.2
115.05435	0.8
115.71243	0.2
116.06209	1.8
129.06984	1.0
130.06508	0.3
131.04922	10.9
131.06006	0.7
131.06883	1.0
131.08517	4.5
131.16249	0.5
132.04425	1.1
132.05379	0.3
132.08072	0.5
144.08110	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.049
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	0.5
53.03938	4.2
55.01863	0.2
56.05016	0.2
56.96560	0.5
57.03422	0.5
65.38554	0.2
67.74319	0.2
69.03413	0.4
69.07095	0.2
70.03757	0.5
70.21501	0.5
70.21912	0.4
72.04489	0.2
77.03903	0.8
81.03397	0.5
83.30328	0.2
84.04485	0.8
85.04333	0.2
85.04826	1.6
85.08472	0.4
86.09694	0.7
91.05468	2.0
95.04954	7.5
96.05289	0.2
98.97597	0.1
102.04678	1.0
103.05453	100.0
104.05051	0.4
104.05775	4.8
105.04492	1.2
105.07024	0.2
113.07194	0.3
113.07921	1.7
115.05393	0.2
116.06271	0.4
117.05733	0.4
131.04915	9.8
131.06870	3.2
131.08449	1.4
132.04410	0.4
132.05302	0.6
132.08075	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0491
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	0.6
53.03943	3.6
55.01860	0.3
56.96559	0.4
69.03429	0.3
70.03767	0.4
71.75826	0.3
72.04513	0.4
77.03917	0.7
79.06588	0.2
81.03412	0.4
81.64688	0.2
84.04501	0.5
85.02882	0.2
85.04829	1.2
85.08443	0.3
86.09679	0.6
88.10356	0.2
91.05457	2.0
92.22004	0.2
95.04955	7.6
102.04690	1.4
103.05457	100.0
104.05092	0.2
104.05782	5.0
104.06426	0.4
105.04491	1.3
113.07938	1.4
113.93053	0.2
116.06217	0.4
122.46562	0.2
129.07042	0.3
130.06516	0.3
131.04919	9.1
131.06894	0.7
131.08495	1.5
132.05234	0.5
132.08086	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0491
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02371	0.5
53.03939	3.1
53.94277	0.2
56.96556	0.9
57.03431	0.2
69.03419	0.2
70.64275	0.5
75.03551	0.2
77.03907	0.6
79.58314	0.2
81.03410	0.3
83.00766	0.3
84.04484	0.8
85.02869	0.2
85.04342	0.2
85.04822	1.3
85.08476	0.6
86.06111	0.2
86.09687	0.6
91.05479	1.6
95.04952	6.4
98.97549	0.4
102.04689	1.2
103.05453	100.0
104.05786	4.5
104.15163	0.2
105.04486	1.5
113.07924	1.4
116.06264	0.3
116.98582	0.4
129.06989	0.2
130.86702	0.2
131.04912	9.2
131.08492	1.1
132.05267	0.6
132.08034	0.3
137.56604	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0491
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02359	0.4
53.03943	3.3
55.01869	0.3
56.96559	0.5
57.03421	0.3
61.04591	0.2
61.85933	0.2
62.40228	0.2
70.03758	0.2
70.88146	0.2
70.88499	0.7
72.08147	0.2
77.03931	0.7
81.03416	0.3
84.04497	0.3
85.04843	1.0
85.08464	0.4
86.09706	0.6
91.05461	1.6
95.04956	5.9
96.05266	0.2
98.97610	0.2
102.04687	0.8
103.05458	100.0
104.05787	4.4
105.04501	1.4
113.07916	0.9
116.06237	0.3
131.04916	9.5
131.08560	1.1
132.05293	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0491
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01603	0.3
51.02387	0.5
51.96895	0.2
53.03941	3.5
56.96572	0.3
69.71462	1.9
77.03924	1.0
81.03399	0.4
84.04507	0.3
85.08477	0.3
86.09675	0.2
89.30509	0.2
91.05479	0.8
95.04958	7.1
98.21422	0.5
102.04681	0.9
103.05457	100.0
104.05791	4.0
105.04479	1.4
109.67651	0.2
113.07897	0.6
131.04910	10.1
131.08496	0.6
132.05263	0.4
148.35901	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0492
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02371	0.4
53.03944	3.6
55.01879	0.2
56.05025	0.6
56.36879	0.2
56.96566	1.9
57.03426	0.5
58.06588	0.3
66.82020	0.2
68.05010	0.2
68.83649	0.2
69.03418	0.6
69.07067	0.3
69.72807	1.2
70.03751	0.7
70.06601	0.3
72.04530	0.3
72.08141	0.3
73.02898	0.3
77.03920	0.7
81.03394	0.5
84.04498	0.8
85.02890	0.4
85.04831	1.5
85.08475	0.6
86.06050	0.5
86.09704	0.7
90.90374	0.3
91.05487	1.5
95.04959	6.9
96.05287	0.2
97.02887	0.3
98.21415	0.4
98.97591	1.0
102.04667	1.2
103.05460	100.0
104.05057	0.4
104.05785	5.0
105.04485	1.5
113.07202	0.4
113.07930	2.2
115.05459	0.3
116.06214	0.3
116.98605	0.6
117.78266	0.2
128.98592	0.2
131.04919	9.0
131.06862	0.5
131.08507	1.0
131.16322	0.4
132.04434	0.8
132.05293	0.6
132.08038	0.3
134.99644	0.3
146.99715	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	130.159
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00273	0.7
53.03936	2.0
55.01849	0.7
55.02974	0.9
55.05504	1.9
56.01394	0.5
56.05025	8.4
56.96562	4.9
57.03424	1.6
57.07068	24.8
58.06576	0.8
58.07396	0.6
59.06111	1.9
61.02906	1.0
67.05484	1.9
69.03422	40.8
69.07061	3.9
69.23883	0.5
70.03205	3.0
70.03745	1.5
70.06579	3.6
71.04969	1.4
72.04483	1.2
72.08148	9.5
73.02921	0.9
74.09709	15.3
75.10042	0.7
82.06563	2.2
83.02450	0.7
83.06071	0.8
84.04494	100.0
84.08131	31.7
85.02911	2.8
85.04109	0.6
85.04336	0.6
85.04811	4.5
85.07645	2.5
85.08457	1.7
86.06057	0.9
86.09669	1.0
87.09222	1.1
90.01547	0.9
90.04238	0.6
91.05477	2.7
92.01301	0.7
94.06536	0.7
95.04955	3.4
97.02877	1.0
98.97557	2.0
102.04647	0.5
103.05454	42.9
103.20703	0.5
112.07589	84.7
113.07137	2.3
113.07919	3.8
116.98586	1.5
128.02341	0.6
130.02194	1.1
130.05017	5.3
130.06514	15.3
130.08623	16.9
130.09702	1.6
130.12238	0.6
130.15901	28.9
131.04918	4.3
131.06880	0.8
131.08511	1.7
131.16245	2.3
134.99680	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0491
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02361	0.3
53.03942	2.9
54.77935	0.2
56.05025	0.6
56.96564	2.0
57.03423	0.6
58.06586	0.3
61.02927	0.4
68.31852	0.2
69.03417	0.8
69.07049	0.7
70.03776	1.2
70.06580	0.4
70.90089	0.9
72.04495	0.5
72.08135	0.4
73.02907	0.6
75.05618	0.3
76.85223	0.3
77.03922	0.6
81.03426	0.5
84.04493	1.2
84.08131	0.7
85.02891	0.9
85.04832	2.5
85.08448	1.5
86.06066	0.7
86.09704	4.7
90.90375	0.4
91.05483	0.9
95.04954	5.1
98.97569	1.0
102.04665	0.8
103.05456	100.0
104.05782	4.1
105.04494	1.0
108.85558	0.3
113.07203	0.6
113.07909	4.2
115.05530	0.3
116.98611	0.6
117.05753	0.5
119.01811	0.3
131.04906	1.7
131.08855	0.5
132.08133	0.7
144.08122	0.3
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
55.79175	0.1
56.05027	6.0
56.96556	0.3
57.03430	0.2
69.03419	1.8
69.07066	0.2
70.02924	0.1
70.06578	0.5
70.29987	0.1
71.01456	0.3
71.01794	0.1
71.05023	0.1
71.14756	0.1
82.06587	0.1
84.04492	100.0
84.08125	9.6
85.02373	0.3
85.02892	5.8
85.04272	0.2
85.04809	2.6
85.08450	0.3
87.04440	0.2
95.01305	0.8
98.97564	0.3
101.52172	0.1
102.05531	1.6
112.03928	0.2
112.07587	3.3
116.98605	0.2
130.04980	9.1
130.08620	1.1
131.05324	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	130.0651
Annotation	Isoquinoline
Peak:m/z	Relative Intensity
51.02370	0.4
53.03942	2.1
55.01867	0.5
55.05490	0.4
56.05027	2.9
56.96570	0.4
57.03429	0.9
57.07070	0.6
67.05493	0.8
69.03423	13.2
69.07053	1.5
70.03757	0.3
70.06586	2.0
70.80990	0.7
71.04985	0.5
71.39716	0.2
72.04503	0.7
72.08153	1.5
74.06075	2.3
74.09719	0.4
77.03907	0.6
82.06584	1.4
84.04497	39.5
84.08135	12.7
85.02905	0.9
85.04827	0.7
85.07644	1.1
85.08440	0.3
86.03693	0.2
87.09221	0.4
91.05474	0.7
94.06535	0.4
95.04957	4.6
95.05514	0.4
98.97591	0.3
102.04671	0.9
103.05458	51.9
104.05764	0.5
105.04502	1.0
107.55614	0.2
112.07594	30.2
113.07134	0.7
113.07930	0.9
116.06250	0.3
128.04968	1.9
130.04945	2.7
130.06516	100.0
130.08560	7.0
130.12260	0.9
130.15872	0.6
131.04901	4.1
131.06866	4.3
131.08543	0.3
132.39548	0.3
146.06012	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	130.0651
Annotation	Quinoline
Peak:m/z	Relative Intensity
53.03947	1.3
55.02979	0.5
55.05503	1.2
56.01379	0.3
56.05031	4.0
56.96546	1.0
57.03421	0.6
57.07057	0.5
58.06585	0.8
59.06115	1.1
59.06937	0.3
60.04515	0.3
64.01620	0.3
67.05485	1.0
68.05021	0.7
69.03423	24.8
69.07061	3.8
70.02914	0.3
70.03748	0.5
70.06591	2.9
71.04977	1.2
71.71416	0.5
71.71812	0.3
72.04514	0.6
72.07768	0.4
72.08147	5.1
73.04034	0.3
73.08490	0.3
74.06083	0.4
77.03913	0.4
82.06568	1.8
83.02448	0.4
83.06126	0.3
84.04499	30.5
84.08136	24.6
85.02898	1.1
85.04025	0.6
85.04823	0.7
85.06483	0.4
85.07661	0.8
85.08468	0.9
86.06039	0.4
86.09698	0.8
87.09208	0.6
90.04276	0.5
91.05476	1.2
94.06557	0.7
94.39533	0.2
95.04953	2.7
97.06406	0.3
98.97594	0.3
102.04711	0.4
102.05573	0.4
103.05460	13.3
104.44799	0.3
105.04498	0.8
112.07595	57.1
113.07146	0.7
113.07932	2.0
113.11578	0.7
116.06265	0.3
119.01794	0.5
128.02272	0.3
128.04942	1.2
130.02188	1.1
130.04953	2.8
130.06519	100.0
130.08591	12.2
131.04898	0.7
131.05962	0.4
131.06859	4.8
131.08452	0.8
134.99609	0.3
146.05956	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	130.0651
Annotation	Isoquinoline
Peak:m/z	Relative Intensity
53.00296	0.3
53.03936	1.7
55.01865	0.8
55.05502	0.6
56.05030	5.5
56.96555	2.0
57.03434	0.5
57.07070	1.3
60.04510	0.5
61.02916	0.3
67.05502	1.0
68.05022	0.5
69.03422	30.7
69.07063	3.3
70.06581	3.4
70.35307	0.9
71.04981	1.0
72.04503	0.8
72.08150	1.1
77.03924	0.7
81.03413	0.4
82.06578	2.1
84.04494	78.9
84.08131	27.9
85.02885	0.9
85.04825	1.6
85.06533	0.4
85.07664	1.1
85.08462	0.7
88.07610	0.5
91.05456	2.2
94.06531	0.7
95.04951	3.7
98.21381	0.4
98.97594	0.8
102.04657	1.1
102.05499	0.5
103.05457	34.5
104.05788	0.7
105.04501	0.8
112.07590	63.5
113.07169	0.8
113.07928	2.1
114.53392	0.4
116.06227	0.5
116.98592	0.5
128.02309	0.4
128.04919	1.9
129.06976	0.7
130.02202	1.0
130.04956	4.7
130.06512	100.0
130.08592	13.1
130.15898	0.9
131.04898	2.8
131.05899	0.6
131.06847	4.4
131.08536	1.6
134.99635	0.7
146.06006	1.5
146.99606	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	130.0651
Annotation	Quinoline
Peak:m/z	Relative Intensity
51.02374	0.4
52.58259	0.2
53.03947	1.5
55.01859	0.5
55.02981	0.6
55.05499	1.1
56.05030	3.3
56.96562	1.7
57.03416	0.8
57.07055	0.7
58.02943	0.4
58.06596	0.7
59.06106	1.0
60.05627	0.2
67.05487	1.1
69.03422	21.7
69.07057	2.4
70.03725	0.4
70.06577	2.2
71.04974	0.9
71.29318	0.4
71.29662	0.4
72.04494	0.9
72.08148	4.4
73.02899	0.4
73.04063	0.3
74.09699	0.4
75.05589	0.2
77.00797	0.3
77.03889	0.4
79.38929	0.3
81.03406	0.5
81.48858	0.2
82.06565	1.6
83.02472	0.3
84.04495	27.1
84.08133	20.1
85.02891	1.0
85.04025	0.3
85.04814	0.6
85.06501	0.4
85.07668	1.2
85.08450	0.5
86.06046	0.4
86.09680	0.4
87.09216	0.3
88.07623	0.4
89.00758	0.3
90.04305	0.4
91.05476	1.0
94.06536	0.7
95.04947	3.1
95.91498	0.3
98.01269	0.3
98.04753	0.3
98.97561	0.6
102.04680	0.4
102.05500	0.5
103.05458	16.0
105.04503	0.5
110.01293	0.3
112.07591	45.1
113.05892	0.3
113.07127	0.8
113.07928	1.4
113.10825	0.3
113.11552	0.4
115.05464	0.3
116.06297	0.3
116.98592	0.3
119.01911	0.2
128.04935	2.2
130.02179	0.7
130.04941	2.7
130.06514	100.0
130.08585	10.1
130.15909	0.5
131.04910	0.9
131.05937	0.4
131.06856	4.7
131.08540	0.9
134.99713	0.3
146.05031	0.2
146.05988	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	129.1387
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40482	3.0
54.49977	3.0
56.05021	5.1
57.16142	3.3
58.06586	15.7
60.05630	7.4
69.86721	22.7
70.06572	10.6
70.59454	2.9
71.04987	12.9
72.08153	4.6
76.85934	3.0
82.78746	3.4
84.04004	4.7
84.04498	90.8
84.08134	100.0
85.02894	5.1
111.81277	3.4
112.11231	78.7
129.13882	9.2
130.04968	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	129.1387
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05022	5.0
58.06590	17.3
60.05641	7.1
64.89588	1.3
69.03442	1.7
69.93476	7.1
70.06587	12.8
71.04986	16.5
72.08157	7.9
74.49329	1.1
78.49056	1.0
84.04494	100.0
84.08132	88.3
85.01604	1.2
85.02879	5.6
85.08457	1.2
89.17628	1.1
98.20792	2.5
98.21329	1.4
100.90659	1.1
112.07620	1.9
112.11229	99.2
112.40547	1.3
113.11548	2.5
129.13863	20.6
130.04993	11.2
130.08652	2.8
130.09767	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	129.1387
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.2
55.05515	2.7
55.93518	3.1
56.05030	4.5
56.96561	6.0
57.03429	1.0
58.06593	19.0
59.06114	0.5
60.05635	2.9
62.30075	0.5
67.05484	1.0
67.23754	0.4
68.05038	0.9
69.03423	16.3
69.07063	2.1
70.06585	31.1
71.04984	8.5
71.06919	1.1
71.13231	0.5
71.13557	1.2
71.94094	0.5
72.04511	1.0
72.08148	20.4
72.93758	0.5
73.08475	0.8
80.41512	0.4
81.03427	0.4
81.75341	0.4
82.06577	1.4
83.01334	1.1
83.04961	2.0
83.06110	1.2
83.06905	0.5
84.04499	28.7
84.08134	100.0
85.02892	1.6
85.08466	1.8
86.06073	0.5
86.09673	0.6
87.00818	0.8
87.04451	1.0
88.07646	1.2
94.06570	1.0
95.01324	0.5
97.02879	1.4
98.97587	0.5
101.00896	0.6
101.07950	1.0
102.05525	1.0
104.47672	0.5
111.00809	1.3
111.04446	1.2
111.09201	0.9
112.07596	32.7
112.11231	90.5
113.11584	3.4
118.03568	0.6
119.01886	1.0
128.95082	0.8
129.01828	8.2
129.05484	1.6
129.10223	1.8
129.13866	13.3
130.02161	0.7
130.05035	2.3
130.06512	7.1
130.07721	0.8
130.08627	9.5
130.09734	1.9
130.12248	0.6
131.01852	0.5
143.81375	0.5
146.96118	1.3
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	(R)-(+)-2-Pyrrolidone-5-carboxylic acid
Peak:m/z	Relative Intensity
51.02595	0.2
52.21817	0.2
52.51201	0.2
56.05032	6.9
56.96558	0.3
57.03425	0.3
69.03420	1.9
69.41479	1.6
71.04976	0.2
78.49510	0.2
84.04495	100.0
84.08131	6.8
85.02894	5.3
85.04344	0.3
85.04822	2.0
95.01330	0.7
96.10438	0.2
98.20687	0.4
101.46085	0.2
102.05537	1.7
107.01667	0.2
112.07588	3.4
113.07952	0.2
130.04985	8.0
130.08647	1.1
133.33220	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	124.0759
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01591	0.2
51.02384	0.3
52.01912	0.2
53.03941	3.8
53.04200	0.2
54.04269	0.2
55.01869	0.5
55.05497	0.6
56.05048	0.2
56.96553	1.0
58.25145	0.1
65.03942	0.2
66.10750	0.2
67.05495	0.3
68.05017	1.4
68.99782	0.2
69.03421	0.8
69.07060	0.5
70.00757	0.2
70.01066	0.8
71.01350	0.1
78.03452	1.8
78.04707	0.4
79.01855	0.4
79.03752	0.1
79.04198	0.2
79.05488	7.1
80.05009	22.8
81.03413	3.6
81.05343	1.4
81.05796	1.0
81.07047	3.5
82.06578	0.7
82.07385	0.1
83.04971	4.4
83.05472	0.2
83.06078	0.3
84.05286	0.2
91.05503	0.2
93.05762	0.7
94.06573	0.6
95.04973	1.2
96.04485	18.9
96.05281	2.2
96.08121	4.7
97.02886	2.4
97.04768	0.8
97.06528	0.6
97.07594	0.2
97.08482	0.1
98.20666	0.2
98.21271	0.4
101.00862	0.5
101.02590	0.1
102.02264	0.2
105.04492	0.2
106.02893	0.2
106.06550	0.6
107.04945	3.9
107.06090	0.4
108.04442	0.2
112.03958	3.6
112.04680	0.2
119.01912	5.4
120.02034	0.4
124.03941	100.0
124.07563	6.3
125.02367	1.1
125.03398	0.3
125.04281	4.2
125.05981	0.9
125.07083	0.5
125.07918	0.2
125.10780	0.4
137.02950	2.6
140.03409	2.1
142.03502	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	127.0389
Annotation	1,2,3-Trihydroxybenzene
Peak:m/z	Relative Intensity
53.03943	50.1
54.04271	2.5
55.01865	24.8
57.03443	8.1
65.03903	1.5
67.01841	1.8
69.03151	1.3
69.03433	14.6
69.77453	10.8
70.16633	1.6
71.04989	26.0
81.03410	100.0
82.03747	3.0
82.06567	4.0
83.01328	4.5
85.02891	2.9
97.02308	2.5
97.02881	25.2
99.04453	13.5
109.02871	69.1
111.09225	3.1
123.96939	1.4
125.34167	1.4
127.03902	93.0
128.04237	3.9
128.07063	4.0
143.03516	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	128.0707
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	0.5
54.03454	0.6
54.04291	0.5
55.01869	1.1
55.05503	4.1
55.93530	1.0
56.05035	1.6
56.96560	3.9
57.03437	0.7
57.04556	2.7
58.06599	5.6
67.04258	0.7
68.05025	2.5
69.03423	3.9
69.05801	0.5
70.06586	92.8
70.73287	1.5
71.04977	2.7
71.06927	2.0
72.04498	0.9
72.08150	10.6
74.07210	0.6
78.57424	0.5
81.03426	0.5
82.03751	1.6
82.06575	6.9
83.04980	1.7
83.06090	1.8
83.07356	2.9
83.79900	0.5
84.04487	0.9
84.08140	23.3
85.02868	0.6
85.07687	0.7
86.06051	1.4
86.07201	0.9
87.04480	0.9
94.06617	0.9
97.02885	4.2
100.07610	100.0
101.07951	2.2
103.90953	0.5
105.06201	1.4
110.03194	2.6
110.06007	1.0
111.00719	0.5
111.04478	0.9
111.09199	12.1
112.11238	29.3
113.96404	0.7
114.05537	0.5
128.03444	0.8
128.04230	3.3
128.06261	1.0
128.07063	21.3
128.10887	0.7
128.11801	3.6
128.55771	0.4
128.95053	0.7
129.01819	5.8
129.05463	2.2
129.07394	0.7
129.10252	1.0
129.13867	5.5
130.13632	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	124.0506
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92654	0.8
52.01900	3.9
53.03941	2.3
54.03468	7.5
55.05496	1.6
56.04787	1.3
56.05032	14.4
56.07495	0.7
58.06609	1.1
58.76025	0.8
66.03452	1.8
67.02987	1.6
67.04224	1.7
68.01398	6.3
68.05025	5.9
69.04536	1.7
69.92705	5.5
70.06585	3.6
78.03419	0.8
79.05489	2.4
80.05013	14.6
81.04533	24.6
81.05315	1.6
82.04858	1.3
82.05308	1.9
82.06558	1.6
83.06096	18.8
84.04504	0.8
89.46928	0.8
95.02444	100.0
95.04936	1.4
96.02782	1.8
96.04476	14.9
96.05290	3.2
96.08130	1.8
97.02883	5.4
97.07643	12.4
101.02567	1.6
107.04951	1.2
107.06060	15.2
112.03957	14.9
113.03541	1.0
119.01904	7.5
124.03951	41.0
124.05061	80.5
124.07592	3.0
124.08701	25.1
125.02335	1.7
125.04335	1.0
125.06081	1.4
125.07092	3.0
135.59590	0.8
137.02914	4.1
140.03429	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	124.0245
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14029	0.2
56.96544	0.9
57.77882	0.2
58.06581	0.7
58.99828	0.5
61.01028	0.3
65.34489	0.3
67.05482	0.3
68.05028	0.3
70.88911	0.6
70.99844	0.3
78.06315	1.1
79.05492	0.4
80.05010	0.5
81.04533	0.7
81.05339	0.2
82.99825	1.3
83.01500	0.3
96.04491	0.8
96.05270	0.3
97.02866	0.3
97.05292	0.6
98.97565	0.4
100.02444	1.2
101.00861	17.7
101.02570	1.3
102.00934	0.9
102.02222	1.0
107.06082	0.5
110.15150	0.2
112.03946	0.7
117.10233	0.9
118.03520	0.9
119.01902	100.0
120.01978	6.4
120.03220	0.6
121.02348	0.3
124.02442	0.6
124.03937	2.0
124.05888	0.5
124.07658	0.6
124.08707	0.8
132.50246	0.3
133.03386	0.3
137.02936	42.5
137.40190	0.3
138.03027	2.8
140.03415	0.5
142.03481	5.8
143.03592	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	124.0394
Annotation	Nitrobenzene
Peak:m/z	Relative Intensity
51.02375	0.3
53.03940	5.2
54.03457	0.5
54.04290	0.3
55.01865	0.6
55.05507	0.6
56.05020	0.9
56.96555	3.0
58.99861	0.5
67.05504	0.9
68.05017	1.9
69.03420	0.4
69.04562	0.4
69.07053	0.9
70.06583	0.5
70.94804	0.7
70.99854	0.5
77.00882	0.9
77.03925	0.3
78.03442	2.3
78.04694	0.9
78.06314	0.4
79.03748	0.3
79.05017	0.6
79.05485	12.6
80.05006	23.8
81.03412	3.8
81.04547	0.6
81.05338	1.2
81.05795	0.9
81.07051	4.7
82.06557	0.9
82.07364	0.5
82.99849	0.4
83.04958	3.1
83.06065	1.4
84.08147	0.6
94.06567	0.5
95.01927	0.3
95.04961	2.6
96.04482	19.5
96.05281	4.2
96.08104	3.5
97.02861	1.3
97.04823	0.6
97.06536	1.2
97.07655	0.9
97.08266	0.3
100.02499	0.4
100.50714	0.2
101.00863	6.8
101.02558	0.9
102.00930	0.4
102.02216	0.4
105.04469	0.5
106.04821	0.3
106.06527	0.4
107.04943	6.4
107.06032	1.2
112.03951	2.4
117.10219	0.3
119.01906	42.0
120.02011	2.8
120.03211	0.4
122.02381	0.4
124.03936	100.0
124.07571	4.8
124.08677	1.5
125.02377	0.3
125.04276	3.1
125.05972	1.4
125.07083	0.7
125.10725	0.3
137.02940	17.1
138.03056	1.1
140.03444	1.7
142.03499	2.5
143.03610	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0555
Annotation	Picolinamide
Peak:m/z	Relative Intensity
53.03940	3.1
54.03483	0.3
55.05487	0.3
55.80926	0.3
56.05033	0.7
56.96561	1.2
57.03428	0.3
58.06602	1.9
58.99865	0.7
59.07376	1.4
65.03970	0.4
67.05495	2.7
68.05007	1.3
69.05801	0.3
71.15996	0.6
75.98331	0.2
77.00893	0.4
78.03447	2.2
78.06327	2.5
79.05489	1.2
80.05010	49.3
81.03419	0.3
81.04530	1.0
81.05339	0.8
81.07059	1.0
82.01433	2.8
82.06577	0.3
82.99844	0.4
83.06095	1.1
84.08147	0.4
84.57217	0.3
88.02664	0.3
91.05476	0.3
95.04961	13.6
95.06033	0.8
95.08591	0.3
96.04484	15.9
96.08126	0.5
97.05263	0.9
99.09190	0.5
100.02474	18.6
101.00871	7.6
101.02586	0.9
105.03332	0.3
105.04501	0.8
106.02905	2.9
107.06055	0.6
109.02823	0.3
112.03948	0.6
117.10242	1.7
118.03512	12.0
119.01910	49.5
123.05538	100.0
124.03935	4.7
124.04819	0.4
124.05161	0.3
124.05891	2.8
124.07607	0.4
124.08675	1.1
136.04562	0.5
137.02945	21.3
141.05107	0.5
142.03485	3.6
143.11786	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.1168
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56386	0.7
51.02378	0.7
51.56938	0.7
53.03931	4.3
55.01873	1.3
55.05508	4.8
55.88270	0.8
57.07058	3.0
57.86436	0.7
65.03930	2.8
67.05497	29.5
68.05013	1.8
69.07073	1.1
71.76180	0.9
72.72757	0.8
77.03922	0.7
78.03456	0.9
79.05481	17.2
80.05009	17.9
80.05788	1.2
81.03390	1.4
81.07045	100.0
82.07381	2.6
93.07029	1.8
95.04958	29.3
95.08595	9.0
96.04478	12.5
96.05101	0.9
96.05361	0.9
96.08158	1.0
105.04512	1.6
105.07030	1.0
106.02894	1.2
106.06563	0.8
108.05713	1.0
112.03947	4.6
118.03523	1.1
119.01917	3.2
123.04454	5.1
123.05549	26.7
123.08058	5.5
123.09176	1.9
123.10029	1.2
123.11685	9.3
124.03938	24.1
124.05875	1.6
124.07573	2.3
124.08674	1.3
137.02953	2.2
140.03403	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	123.1169
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00299	0.4
53.03941	4.0
53.25109	0.5
54.03463	0.7
55.05503	5.5
56.05026	1.7
57.07067	5.8
65.03928	1.0
67.05498	17.0
68.05010	1.1
69.07067	3.9
69.63425	1.4
69.63842	1.9
70.06578	0.5
77.03903	0.6
78.03454	0.7
79.05486	17.4
80.05009	11.0
80.05775	0.7
80.88346	0.4
81.04527	1.4
81.07047	100.0
82.01450	0.5
82.07381	2.8
83.05645	0.6
83.06084	2.2
86.25999	0.3
91.05481	0.6
92.07093	0.4
93.07025	2.6
94.07815	0.9
95.04958	22.1
95.05993	0.8
95.08597	17.8
96.04488	6.7
96.05257	0.6
96.08102	0.5
97.07629	1.6
100.02437	2.9
105.04494	1.6
105.06998	1.0
106.02893	0.7
107.06075	2.1
108.05701	1.6
108.09387	1.1
112.03960	4.0
118.03520	2.6
119.01917	1.5
121.10125	1.3
123.04424	4.0
123.05533	19.0
123.06590	0.8
123.08105	9.7
123.09069	0.8
123.11693	21.7
124.03940	13.7
124.04895	0.9
124.05903	0.9
124.07630	0.9
124.08686	4.4
124.12017	1.1
137.02948	0.5
140.03398	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	124.0244
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69650	0.2
59.99924	0.2
69.43269	0.2
71.15680	0.4
71.16016	0.2
71.29997	0.2
82.01435	0.2
82.99816	1.1
83.01476	0.4
100.02457	1.3
101.00865	17.3
101.02549	2.4
102.00943	0.9
102.02208	1.3
110.76682	0.2
118.03506	0.9
119.01904	100.0
120.01986	4.6
120.03284	0.7
121.02367	0.4
124.02405	0.3
124.04028	0.3
137.02937	38.7
138.03020	2.0
142.03477	6.1
143.03636	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0554
Annotation	Picolinamide
Peak:m/z	Relative Intensity
51.02373	1.0
53.03943	3.7
55.01857	0.4
63.16613	0.4
67.05474	0.8
68.05021	0.7
69.03402	0.5
69.45673	3.1
69.46076	0.7
73.53336	0.4
77.00890	0.4
77.03928	0.5
78.03446	11.3
78.06331	0.4
80.05009	45.8
81.03407	1.5
81.05347	0.7
81.07038	0.7
82.01452	0.5
83.04980	0.7
88.02636	0.4
95.04961	15.8
96.04484	18.0
96.08096	0.9
97.02883	0.4
100.02480	3.2
101.00869	1.1
102.02387	0.4
105.04492	1.7
106.02906	19.0
107.03229	0.4
112.03999	0.4
117.10238	0.5
118.03539	1.8
119.01920	4.8
123.05541	100.0
124.03941	19.1
124.04865	0.8
124.05862	2.9
124.07618	1.1
130.72694	0.4
131.01889	0.7
137.02945	1.8
142.03477	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0405
Annotation	Unknow
Peak:m/z	Relative Intensity
54.15572	0.4
58.99856	1.1
70.08345	0.9
70.08743	1.1
77.00914	1.0
80.90233	0.4
81.70589	0.3
82.01437	8.3
82.71603	0.3
82.99847	0.7
94.09438	0.4
95.04962	0.4
95.59647	0.4
98.21368	0.5
100.02473	60.4
101.00866	12.2
101.02561	4.1
118.03511	42.7
119.01908	100.0
119.03598	2.6
123.04050	1.8
124.02407	0.5
131.36458	0.4
133.03459	0.4
136.04539	0.8
137.02945	46.0
139.03284	0.4
141.05092	1.3
142.03482	6.6
144.84123	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0553
Annotation	Picolinamide
Peak:m/z	Relative Intensity
51.02377	1.4
53.00304	0.4
53.03942	8.2
55.01872	2.4
55.05507	1.4
56.95922	0.4
56.96563	3.0
57.03433	3.1
58.06598	1.1
58.99857	2.2
59.07372	0.6
60.08154	0.4
60.37743	0.3
61.02923	2.9
65.03939	1.3
67.05502	7.2
67.05843	0.8
68.02634	0.7
68.05017	2.1
69.01914	0.6
69.03432	2.8
69.85214	2.4
70.99870	0.7
72.21976	0.4
73.02909	2.4
77.00898	3.3
77.03925	1.1
78.03458	2.9
78.06323	1.0
78.37811	0.4
78.52972	1.2
79.05489	7.5
80.05009	49.9
81.01900	1.0
81.03411	10.6
81.05344	0.9
81.05801	1.8
81.07048	10.1
82.01428	3.5
82.02663	0.5
82.06567	0.8
82.99841	0.8
83.04978	7.0
84.08164	0.7
84.52954	0.8
85.02890	1.6
86.52708	0.9
87.01904	0.6
88.02676	3.1
88.52763	0.6
89.00890	0.6
89.02548	0.5
90.52944	0.4
93.01890	1.0
93.53471	0.8
94.06574	1.2
95.01361	0.7
95.01929	1.9
95.04959	66.3
95.08603	1.5
96.04486	23.5
96.05283	1.4
96.08121	6.5
97.02871	2.5
97.05283	0.7
98.21411	0.7
99.53456	0.8
100.02474	40.0
101.00859	7.6
101.02551	3.1
102.02392	2.2
103.02406	0.7
105.00369	0.5
105.03397	0.8
105.04490	3.9
106.02903	5.3
107.04922	1.1
108.05728	0.7
109.02861	1.0
110.01229	0.4
111.02911	2.0
111.52980	0.6
112.03957	9.2
112.04687	0.8
113.53249	0.8
114.83304	0.4
115.02470	1.0
117.10246	1.2
118.01140	1.2
118.03512	41.0
119.01913	75.5
119.03596	2.7
120.01994	0.8
120.03353	1.2
121.01643	1.2
121.02393	0.4
123.04452	11.3
123.05539	100.0
123.11714	0.9
124.03941	50.4
124.07579	9.0
131.01889	5.5
132.02016	0.6
133.01610	0.6
133.03421	1.7
136.02228	0.8
136.04575	1.8
137.02946	42.4
140.03401	5.5
141.02719	0.8
141.05026	2.4
142.02475	0.7
142.03488	8.0
143.01962	0.5
143.03522	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.1013
Annotation	2-Ethyltoluene
Peak:m/z	Relative Intensity
51.02351	1.4
53.03939	11.8
54.03463	5.1
55.01851	1.0
55.05504	6.6
65.03922	3.3
67.05487	3.0
68.05013	1.2
70.06568	1.3
71.20824	1.3
71.21136	0.7
75.99081	0.7
77.03882	2.0
79.05483	55.6
80.05013	2.0
80.05784	1.4
81.03383	1.1
81.04532	10.1
81.05775	0.7
81.07037	2.9
82.05309	11.5
91.05466	40.4
92.05782	1.7
93.07030	60.1
94.06542	2.5
94.07362	2.0
95.04955	21.0
95.06073	5.8
103.05457	23.6
104.05786	2.5
105.03393	1.0
105.04510	6.1
105.07014	100.0
106.07275	3.0
106.07920	6.7
107.04835	0.9
107.07317	2.4
111.62547	0.7
119.08574	14.2
120.05587	1.0
121.02847	2.8
121.03974	1.7
121.06470	10.3
121.07627	1.7
121.10126	53.6
122.03103	0.9
122.06094	1.8
122.07136	41.9
122.09630	3.9
122.10469	3.1
123.08042	11.6
124.08427	0.9
133.07568	3.8
138.06689	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.1013
Annotation	2-Ethyltoluene
Peak:m/z	Relative Intensity
51.02378	2.0
53.03942	12.0
53.70847	0.9
54.03462	4.5
55.01868	1.5
55.05508	5.1
57.52683	1.0
64.36458	1.0
65.03931	14.2
65.34320	1.1
67.05488	3.1
69.78527	8.4
70.06588	1.0
77.03917	2.6
79.05486	58.3
80.05025	1.1
80.05833	1.8
81.04521	7.6
81.07036	4.1
82.05322	6.9
83.38162	1.1
91.05469	40.6
92.05765	1.4
93.03405	1.7
93.07032	72.5
94.06567	1.9
94.07359	3.4
95.04957	22.4
95.06085	3.0
98.20729	1.9
103.05458	24.3
104.05791	1.5
105.04520	6.3
105.07018	100.0
106.07227	2.4
106.07919	7.1
107.07323	1.4
111.04423	1.4
119.08563	14.1
120.03727	1.1
120.08970	1.2
121.02852	14.1
121.03857	1.9
121.06475	3.6
121.10132	52.2
122.07138	34.6
122.07996	2.3
122.09651	1.6
122.10520	2.5
123.08064	10.9
133.07593	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.1012
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	1.9
53.03944	11.6
54.03470	6.6
55.01846	1.1
55.05504	4.5
56.48096	0.8
56.59984	0.7
65.03935	5.8
67.05495	2.0
68.05019	1.6
70.06588	1.9
71.01942	1.9
73.90929	0.8
77.03916	2.3
77.99631	0.8
78.04695	1.5
79.05487	56.1
80.05010	0.9
80.05817	2.0
81.04530	13.5
81.07059	2.0
82.05319	13.7
91.05474	39.7
91.82430	0.7
92.05802	1.8
93.07035	55.2
94.04140	1.3
94.06574	2.1
94.07362	2.4
95.04405	1.4
95.04964	20.2
95.06075	5.7
103.05461	27.0
104.05798	1.4
105.04524	6.9
105.07021	100.0
106.07232	1.9
106.07905	7.2
107.04945	8.1
107.07344	1.7
111.04476	0.9
112.96126	0.8
119.08567	16.9
120.05556	1.0
120.08864	1.1
121.02857	3.0
121.04013	1.5
121.05082	1.3
121.06503	11.2
121.07382	1.2
121.10133	56.8
122.06085	2.8
122.07146	55.6
122.09628	3.2
122.10475	3.0
123.08067	12.2
124.08303	0.8
133.07617	6.7
138.06821	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0404
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	2.5
57.03435	9.0
58.99845	3.1
61.02908	0.8
66.15447	0.7
67.82224	0.8
68.02625	2.3
69.03407	4.6
70.89955	2.3
73.02886	2.2
74.89709	0.8
77.00906	3.9
78.52951	2.7
80.04977	1.5
80.52689	1.5
81.03403	6.4
82.01445	3.8
85.02878	2.3
86.03656	1.6
88.02648	2.7
88.31770	0.8
89.00899	1.2
95.01904	1.0
97.02895	2.8
100.02470	35.4
101.00856	10.5
101.02547	2.9
102.02315	2.0
109.02865	2.8
118.01163	4.4
118.03508	30.5
119.01903	100.0
119.03609	2.5
120.01953	0.9
120.03301	1.2
121.01622	1.7
123.04073	1.8
123.05519	3.4
131.01883	8.0
133.01669	1.0
133.03438	1.9
136.02211	0.9
137.02939	66.8
141.02654	2.6
141.05109	1.3
142.03477	13.0
144.03162	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.065
Annotation	Phenylacetaldehyde
Peak:m/z	Relative Intensity
51.02376	2.7
53.03942	24.2
54.03455	1.0
55.01865	2.8
56.96303	0.8
56.96560	10.0
57.03399	1.4
61.02940	0.7
65.03934	3.6
67.05508	0.7
68.05008	0.7
70.06576	0.8
70.23011	3.0
73.02895	0.7
77.03912	3.7
77.36583	0.5
78.04714	1.0
79.05476	2.3
81.03403	3.0
81.04505	1.1
82.05301	2.4
83.00756	1.1
84.08138	0.6
85.02907	0.7
91.05470	75.7
92.05789	2.4
93.03422	0.6
93.07034	64.1
94.04131	1.5
94.06532	1.1
94.07378	2.5
95.04958	47.7
95.06064	2.2
96.01504	1.0
96.05285	1.8
97.00499	0.6
98.01276	0.6
98.21247	1.0
98.97571	4.4
102.04662	2.9
103.05457	100.0
104.05801	4.4
105.04510	12.2
105.06996	1.1
112.11238	0.7
116.98593	3.2
121.02830	2.0
121.06493	96.7
122.07124	6.7
127.01464	0.6
128.02330	0.7
134.99596	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.1013
Annotation	2-Ethyltoluene
Peak:m/z	Relative Intensity
51.02364	2.5
53.03714	1.0
53.03943	13.5
54.03466	11.7
54.61528	0.7
55.01852	3.0
55.05501	6.5
56.96561	1.2
59.38729	0.8
65.03938	9.5
67.02977	2.2
67.05498	5.4
68.05028	5.8
70.06575	3.6
72.48733	0.9
77.03909	2.1
78.03436	0.8
79.05489	50.8
80.05010	3.2
80.05824	1.4
81.03430	1.7
81.04537	22.3
81.05788	2.3
81.07034	3.5
82.05316	30.7
88.96593	0.7
91.05474	47.9
92.05799	2.6
93.07038	69.6
94.04118	1.1
94.06548	5.4
94.07355	3.5
95.04966	24.0
95.06077	18.8
96.04500	1.0
96.05308	1.7
99.58369	1.0
103.05460	29.1
104.05002	1.4
104.05787	2.7
105.03386	1.5
105.04519	9.3
105.07021	67.6
106.07195	1.2
106.07891	5.6
107.04861	1.7
107.07343	4.5
111.04443	2.3
112.03888	1.3
119.08575	8.6
120.05550	1.1
121.02867	9.2
121.03974	3.3
121.05167	1.3
121.06487	18.8
121.07588	4.3
121.08376	1.7
121.09260	1.5
121.10133	31.1
122.06081	5.1
122.07145	100.0
122.09655	7.2
122.10515	1.7
123.08051	7.3
133.07616	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	121.0649
Annotation	2,3-DIHYDROBENZOFURAN
Peak:m/z	Relative Intensity
50.01592	0.7
51.02374	2.0
53.03940	18.9
54.03462	3.6
55.01865	1.6
55.05522	0.6
56.96559	0.9
58.44535	0.5
65.03931	6.9
67.05489	1.0
67.21878	0.5
68.05051	0.5
70.06583	1.0
70.28212	2.2
77.03918	2.4
78.04718	0.8
79.05473	4.2
80.05023	1.3
81.03414	1.8
81.04534	4.9
82.05325	4.3
91.05470	100.0
92.05802	4.5
93.03410	0.8
93.07033	18.1
94.06548	1.6
95.04958	39.0
95.06072	1.6
96.05331	1.1
98.20692	0.5
103.05470	2.3
104.05797	0.6
105.03384	20.1
105.04482	9.7
105.07010	5.1
107.07313	1.4
111.04425	1.6
112.03934	1.9
118.06535	0.8
119.08622	0.6
120.05594	0.7
121.02872	4.9
121.04063	2.7
121.06493	88.1
121.10069	2.3
122.06039	2.5
122.07145	22.1
122.09633	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	121.0648
Annotation	3-Methylbenzaldehyde
Peak:m/z	Relative Intensity
50.01577	0.5
51.02362	1.4
53.03712	0.6
53.03940	8.0
54.03239	0.4
54.03465	4.3
55.01851	1.4
55.05506	0.7
56.96550	0.5
58.02948	0.5
65.03616	0.6
65.03930	8.5
66.04269	0.4
66.04710	0.8
66.92764	0.4
67.02977	0.7
67.05469	1.1
68.05008	1.6
68.99757	0.4
70.06564	1.0
71.75792	0.6
77.03919	1.8
78.04700	17.6
79.01823	0.6
79.05071	0.6
79.05486	4.1
80.05012	1.0
81.03427	0.8
81.04530	9.4
81.05791	0.8
82.05312	8.4
82.05772	0.3
91.05468	30.4
92.05823	0.9
93.03395	0.6
93.07035	6.9
94.04157	1.0
94.06550	2.4
95.04951	16.4
95.06055	4.6
96.05290	0.6
103.05456	3.5
104.05038	0.4
104.05768	1.5
105.03400	0.5
105.04497	5.1
105.07012	4.7
106.04157	5.7
106.05268	0.5
107.04879	1.0
107.07314	1.5
111.04449	1.1
112.03955	0.7
112.47582	0.3
116.44011	0.3
119.08614	0.5
120.05605	0.5
121.02881	4.7
121.03992	1.8
121.06488	100.0
121.10020	2.0
122.06040	2.3
122.07137	35.5
122.09630	1.5
123.08007	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	120.0808
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.2
55.96118	0.5
69.70845	0.6
71.19778	1.3
79.05504	0.8
91.05474	10.4
93.07033	15.9
94.06594	0.7
94.07323	0.6
94.10396	0.6
95.04962	5.3
102.04674	0.9
103.05456	91.9
104.05806	1.9
105.04481	1.0
112.73846	0.5
113.40755	0.6
118.06512	1.8
119.07320	1.7
120.08090	100.0
121.08421	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	120.081
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	1.0
53.03939	6.0
55.01869	0.6
55.05496	1.2
56.05025	0.6
62.71473	0.6
65.03936	4.9
67.05476	1.1
69.40215	0.6
70.11378	1.4
70.11775	1.6
74.06075	1.6
77.03912	0.8
77.95016	0.6
78.93133	0.9
79.05483	6.8
91.05470	15.3
92.04987	3.1
92.05803	5.0
93.03426	0.7
93.04570	0.9
93.07039	22.9
94.06552	0.6
95.04958	8.5
98.20674	0.7
102.04711	0.9
103.05459	88.1
104.05786	4.7
105.04520	1.6
105.07045	5.6
106.07784	0.9
118.06529	2.0
118.07336	0.8
119.07353	0.9
119.08571	0.6
120.04436	2.2
120.05593	6.1
120.08096	100.0
121.02893	1.7
121.04001	1.8
121.06525	3.6
121.08414	4.5
121.10098	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	120.0808
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02354	1.0
53.03947	8.4
55.05503	1.8
56.05017	1.0
65.03927	5.2
67.05495	3.6
69.51665	8.0
74.06068	2.6
77.03912	1.3
78.26096	0.7
78.93114	0.9
79.05483	15.3
80.04993	1.1
81.03400	0.8
91.05471	30.7
92.05012	3.9
92.05801	7.7
93.04496	1.1
93.07036	42.1
94.06576	0.8
95.04970	14.9
102.04669	1.0
103.05458	100.0
104.05807	5.5
105.04478	3.5
105.07027	8.4
106.07800	1.4
111.04432	1.2
112.64026	0.8
118.06546	1.7
118.07345	1.8
119.07319	1.6
119.08567	1.7
120.04464	2.8
120.05584	8.4
120.08096	98.4
121.02850	3.6
121.03963	1.7
121.06512	7.4
121.08443	4.6
121.10124	6.3
123.08073	1.6
133.76682	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.0286
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10907	1.0
51.02376	2.1
51.38630	1.1
53.03941	17.9
54.03458	4.5
55.01857	2.3
55.05502	6.8
65.03934	72.2
66.04243	1.5
67.02989	1.5
67.05515	5.3
69.60590	2.0
69.60995	6.8
70.06581	1.3
77.03915	2.0
78.04716	1.3
79.05486	63.8
80.04979	1.4
80.05808	1.3
80.34909	1.2
81.03432	1.9
81.04536	11.7
81.05759	1.3
81.07044	3.5
82.05312	12.1
91.05470	47.6
91.06047	2.3
92.05801	2.1
93.03390	10.5
93.07036	81.9
94.06556	4.8
94.07365	2.7
95.04961	26.3
95.06078	4.4
98.03668	2.7
103.05455	24.6
104.05779	1.7
105.04500	9.0
105.07019	100.0
106.07851	11.2
107.07340	1.8
111.04440	14.0
119.08562	15.8
121.02861	84.0
121.03957	12.8
121.06525	11.9
121.07372	1.5
121.10126	59.9
122.03204	3.4
122.07141	56.0
122.09663	2.2
122.10493	2.8
123.08059	14.7
133.07600	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	120.0199
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	8.3
55.01854	10.6
55.05513	17.4
56.05036	3.2
56.96562	77.7
57.01322	3.0
57.03426	4.4
58.99855	8.3
59.52184	4.1
60.04510	5.9
60.52050	3.2
60.95837	8.5
65.03934	41.6
65.52174	2.9
67.05493	20.2
68.52686	3.4
69.03432	34.1
70.03755	5.4
70.78131	7.2
70.78502	5.9
71.27702	3.4
71.95251	5.9
72.04509	5.0
74.06071	4.6
75.21962	2.5
77.00907	11.4
78.04696	3.4
78.52964	6.3
78.95251	4.1
79.00635	4.5
79.03009	5.5
79.05481	10.5
79.25777	2.6
81.02830	3.9
81.03398	12.7
81.04508	3.0
81.53458	3.1
82.01429	7.7
83.04971	12.5
86.52689	4.9
86.53625	3.2
88.53321	4.3
89.00863	3.0
91.05485	25.5
91.53706	6.8
92.04985	16.9
92.05815	12.4
93.01852	4.5
93.03403	5.3
93.04531	8.6
93.07040	16.7
94.03562	3.7
95.01941	5.0
95.04385	2.9
95.04957	9.4
96.50539	4.2
97.00511	3.3
98.01424	18.0
98.97573	21.9
100.02480	60.2
100.51569	2.8
101.00858	7.6
101.02532	19.5
102.00971	7.5
102.02235	35.1
102.96860	3.8
103.02439	25.0
103.05478	8.0
103.53718	11.9
104.52660	5.4
105.02185	10.6
105.07044	7.7
106.01030	5.4
106.02678	23.1
106.04145	4.9
106.54250	5.0
107.01939	5.2
108.05126	12.3
108.52997	4.0
111.04433	65.4
112.04771	4.7
115.02403	5.2
116.03054	3.5
116.98614	36.3
117.05665	6.2
117.53440	11.4
118.01099	7.2
118.03516	53.2
119.01923	55.5
119.03611	20.2
119.08615	3.4
120.01993	68.0
120.03206	28.7
120.04441	13.2
120.05578	45.7
120.08092	7.3
120.97896	5.7
121.01660	48.1
121.02816	10.6
121.03444	15.9
121.06502	7.8
121.10138	3.2
122.03559	7.0
123.03248	13.1
123.04052	3.5
124.04097	3.1
124.97543	14.8
126.04042	5.2
129.04013	3.2
131.01869	10.3
131.03697	3.0
133.03534	7.3
133.98087	100.0
133.99107	5.5
134.99652	50.2
135.03195	5.8
136.48318	4.9
137.02936	32.5
138.03033	55.2
138.98926	12.2
139.02684	37.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	120.0809
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	1.1
53.03944	4.7
56.05026	1.0
56.97679	0.6
65.03939	3.2
70.69950	1.8
70.70295	0.7
71.37708	0.6
74.06078	2.1
77.03912	0.8
78.04710	1.1
79.05505	3.1
80.05015	1.1
81.04523	1.3
91.05467	14.1
92.05000	1.9
92.05814	1.8
93.04515	1.2
93.07037	18.9
94.06540	0.7
95.04955	9.1
100.15260	0.5
102.04671	1.3
103.05457	99.8
104.05782	4.7
105.04491	2.2
105.07034	2.4
118.06534	1.8
119.07330	1.9
120.04463	1.7
120.05592	4.9
120.08090	100.0
121.02859	1.8
121.03974	1.5
121.06506	7.0
121.07704	0.7
121.08434	5.3
121.10180	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0857
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
51.13671	0.3
51.49788	0.3
53.03946	3.1
55.01831	0.3
56.05022	0.5
63.74594	0.3
65.03934	5.7
67.05485	0.6
74.06067	1.3
75.70000	0.4
76.03554	0.4
77.03926	0.6
78.04700	3.2
78.93105	0.6
79.05486	7.9
84.14657	0.3
91.05470	100.0
92.04967	1.9
92.05797	4.3
93.07040	5.6
95.04958	4.9
96.05299	0.9
98.20654	0.8
102.04675	0.7
103.04749	0.6
103.05453	14.0
104.06246	20.3
104.52830	0.6
105.04509	1.1
105.06602	1.0
106.04214	0.4
109.06497	1.2
115.05443	7.6
116.05751	0.6
117.07009	19.2
118.07361	1.0
119.04916	1.6
119.06159	2.5
119.08566	67.8
120.04449	1.5
120.05588	2.6
120.06329	0.5
120.08086	2.0
120.08911	4.4
121.03928	0.5
130.18167	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0353
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.7
55.01868	0.9
56.05027	5.0
56.96560	7.4
57.03429	1.3
58.02952	0.9
58.06591	2.6
59.06118	31.3
59.46800	0.5
60.04517	19.0
61.02913	1.5
62.06070	1.7
65.01416	0.7
65.03934	9.9
67.02982	2.7
67.05489	1.3
68.95272	0.9
70.06577	1.7
71.06107	0.6
71.06916	2.0
71.73383	0.8
72.04498	0.8
72.06878	1.0
73.02910	1.5
73.04035	0.8
73.05288	0.5
73.08462	0.6
74.06070	10.0
74.50007	1.0
75.05592	1.3
77.01435	0.5
78.93109	1.5
78.95264	0.9
79.05492	2.2
81.32544	0.5
82.52415	0.5
83.06135	0.5
83.50539	3.6
84.04495	2.4
84.08147	1.1
86.06057	0.7
87.05583	4.6
91.05468	100.0
91.35483	0.6
92.01224	0.6
92.02482	6.6
92.04998	3.2
92.05800	2.9
92.51081	1.2
93.04497	1.1
93.07042	3.1
95.04938	1.7
96.94128	1.1
101.07112	3.2
102.05555	2.6
102.09199	0.7
103.05457	16.9
104.06228	1.3
104.52856	3.4
109.06533	0.9
110.06056	0.6
112.07581	0.7
113.53347	0.7
116.98574	0.7
117.07004	3.9
118.06503	0.8
119.01939	1.4
119.03542	34.0
119.04842	7.4
119.06026	4.2
119.06821	0.9
119.08615	10.2
120.03176	0.7
120.04625	3.8
120.05584	5.7
120.08089	16.6
122.60893	0.6
137.02989	1.5
137.04575	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0493
Annotation	Benzofuran
Peak:m/z	Relative Intensity
53.03952	0.7
54.04268	1.0
55.01859	1.0
56.05031	6.7
56.05830	0.6
56.96562	3.1
57.03429	1.7
58.06615	0.6
59.06123	3.2
60.04521	1.1
61.02917	1.0
62.22915	0.5
62.98883	0.5
65.03935	14.8
67.91499	0.5
69.03416	0.5
69.43115	0.5
70.89171	1.4
72.08142	1.2
73.02905	0.6
73.08492	1.5
74.00665	0.9
74.06074	21.8
77.52168	0.5
79.05491	0.7
91.05473	100.0
91.91863	0.5
92.05001	1.2
92.05809	4.5
95.04958	0.5
96.05299	1.5
98.97569	0.6
100.02471	1.2
101.48401	0.5
102.05541	3.2
102.09181	0.7
103.05456	3.0
119.01892	1.6
119.03561	2.3
119.04929	15.0
119.06118	0.6
119.06861	1.5
119.08562	1.3
120.04440	1.1
120.05478	0.9
120.06580	0.5
120.08063	3.1
130.32533	0.5
132.98485	0.5
137.02924	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0864
Annotation	L-Valine
Peak:m/z	Relative Intensity
52.29659	0.4
53.03937	0.5
55.05508	21.6
56.05014	1.2
57.05817	1.5
58.06593	1.0
59.05008	0.5
60.04496	0.7
69.94325	0.8
69.94737	1.6
70.06589	1.8
72.08150	100.0
73.08486	1.6
91.05489	1.9
98.21175	1.1
113.19759	0.4
118.08678	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.019
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66734	3.4
53.03972	3.5
55.05494	3.9
56.96553	9.4
57.22650	3.3
58.99847	2.9
59.06112	12.0
60.04504	5.8
65.03945	3.9
67.05495	11.6
69.03432	23.8
69.81735	18.2
69.82143	6.0
78.52967	4.0
80.02924	5.0
80.06262	5.7
82.01440	7.1
91.05478	35.4
93.07031	4.4
98.20642	3.7
98.21252	11.1
100.02470	33.2
101.00816	16.7
102.02222	6.3
103.02431	9.8
107.05246	9.6
111.04441	4.7
116.05756	9.9
118.03497	26.5
119.01902	100.0
119.03591	3.7
119.08571	5.8
120.02005	5.7
121.03474	13.4
127.73351	3.6
129.03954	5.8
136.74214	4.0
137.02959	53.8
138.03133	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	116.0708
Annotation	Proline
Peak:m/z	Relative Intensity
56.61881	0.1
59.06114	0.4
64.53168	0.1
66.54845	0.1
68.05027	0.3
70.06584	100.0
70.88912	0.3
71.06292	0.2
71.06913	1.8
71.07259	0.2
73.16384	0.1
74.93803	0.4
87.08884	0.1
98.06071	0.2
98.97588	0.1
106.85747	0.1
116.07085	7.4
117.07420	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0653
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74475	2.5
53.03930	17.1
55.86724	2.5
58.06589	50.5
59.04977	5.7
59.06113	100.0
59.07376	35.1
60.04514	3.9
60.08146	5.5
71.76135	3.3
72.08123	5.1
77.03898	3.4
78.01109	6.0
82.48146	2.5
85.07648	2.7
86.75382	2.6
87.05571	22.6
88.73287	2.7
91.05465	58.1
95.04959	23.3
105.04491	5.8
118.06525	22.8
118.07274	4.2
118.08637	92.1
118.12281	5.9
118.13141	2.5
119.04985	3.2
119.06049	11.1
119.08585	4.1
124.17474	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	118.0652
Annotation	4-Ethynylaniline
Peak:m/z	Relative Intensity
55.05501	1.6
55.13943	0.8
56.05023	2.0
57.69767	0.7
58.02959	1.9
58.06588	2.1
59.06116	7.8
60.04509	4.2
65.03925	2.2
70.06563	1.7
70.80164	3.3
72.04503	4.2
72.08160	7.5
75.05576	1.3
76.03980	0.9
76.93362	5.9
82.69280	0.8
87.05582	1.2
91.05470	57.6
92.05813	1.8
94.94389	1.1
95.04953	2.2
95.18142	1.0
100.03965	1.0
101.07123	1.2
101.90305	0.9
117.05730	6.4
118.06530	100.0
118.96778	1.0
119.04912	1.6
119.06131	1.3
119.06879	3.7
119.08663	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	116.0708
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96549	0.2
59.06128	0.2
65.70216	0.1
68.05022	0.3
70.06585	100.0
71.06918	2.4
71.20885	0.1
71.21206	0.2
74.93832	0.3
75.05605	0.1
75.11211	0.1
75.99100	0.1
98.97586	0.3
116.07082	8.4
116.98634	0.2
117.07447	0.1
127.88298	0.1
134.99670	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	116.0708
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01402	0.1
54.77827	0.1
68.05028	0.4
70.06581	100.0
70.22801	0.3
70.23222	0.4
71.06309	0.3
71.06911	2.0
76.29934	0.1
81.87795	0.2
98.06022	0.2
98.21441	0.2
116.07078	7.5
117.07429	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	116.0708
Annotation	Proline
Peak:m/z	Relative Intensity
53.04692	0.1
59.76818	0.1
60.59031	0.1
68.05027	0.3
68.83532	0.1
70.06583	100.0
71.06912	1.6
71.07264	0.2
71.64775	0.2
71.65117	0.1
72.72102	0.1
81.11244	0.1
116.07079	7.7
117.07413	0.2
122.35909	0.1
122.63844	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	116.0494
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05024	0.8
57.04556	0.6
59.06122	2.6
59.55152	0.4
60.03104	0.4
60.04514	0.8
63.02367	3.0
65.03938	3.2
68.94932	0.4
69.03426	0.5
70.06586	78.2
71.06330	0.4
71.06914	1.7
72.04518	0.5
74.02459	0.4
74.06059	0.5
74.93829	2.6
75.05603	2.0
77.91095	0.4
79.05504	0.5
88.01843	0.5
88.07634	0.6
89.03910	57.3
90.03445	2.2
90.04250	2.5
91.05464	0.7
92.87202	0.4
92.94869	0.7
97.14068	0.4
99.05522	0.5
115.05427	1.2
116.04968	100.0
116.07056	5.8
117.05294	4.0
117.07017	1.1
134.05992	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	116.0496
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03191	0.2
56.05024	0.6
57.03416	0.2
57.04546	0.7
57.93574	0.2
58.02941	0.3
59.04988	0.2
59.06118	3.1
60.04516	0.7
60.05315	0.2
63.02367	1.4
64.01922	0.2
65.03932	1.3
68.05024	0.4
69.03414	0.6
69.71521	1.3
70.06584	100.0
71.06300	0.2
71.06915	2.2
72.04517	0.3
74.06066	0.4
74.93825	4.0
75.05595	1.6
76.03974	0.2
76.07628	0.3
85.02870	0.2
88.07610	0.3
89.03909	24.3
90.03428	1.3
90.04237	0.9
91.05478	0.2
92.94866	1.3
98.06047	0.5
99.04530	0.2
99.05584	0.3
100.07585	0.2
115.05435	0.8
115.96441	0.5
116.04968	47.1
116.07070	8.6
116.10719	0.2
116.97196	0.4
117.04585	0.2
117.05302	2.0
117.07024	0.5
117.10255	0.2
130.06464	0.2
134.06036	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	113.0348
Annotation	Uracil
Peak:m/z	Relative Intensity
53.00296	0.7
53.03939	1.1
54.03466	0.6
55.01870	1.4
55.05505	0.8
56.05042	0.4
56.96562	3.2
57.03433	1.6
57.07062	0.3
58.06604	0.7
65.03944	0.3
67.01842	1.7
67.02970	0.4
67.05498	4.0
68.01379	2.0
68.05026	2.6
68.99789	0.5
69.03429	0.8
69.07047	0.3
69.99371	0.3
70.02947	82.8
70.06587	0.8
71.03290	1.2
71.04990	1.5
71.44466	0.5
71.94090	2.2
72.04520	0.5
72.08178	0.3
72.93784	5.2
80.49729	0.3
81.03413	1.1
81.04539	1.5
83.04994	0.3
83.06105	0.9
83.15070	0.3
85.01112	0.4
85.02918	0.4
85.06534	0.9
86.06061	0.8
90.94826	1.2
94.47008	0.3
95.01328	1.0
95.02451	6.4
95.04971	1.8
95.06086	1.4
96.00845	52.5
96.02789	0.8
96.04530	0.3
96.08144	0.4
97.01159	0.7
101.99699	0.3
113.00008	1.5
113.02362	11.0
113.03480	100.0
113.05405	2.0
113.06030	1.2
113.07121	1.3
114.03841	1.4
114.05514	1.7
114.09158	1.3
114.12801	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	113.0712
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03916	2.3
54.03468	35.3
55.01864	3.1
55.03799	2.6
55.05494	7.8
56.05019	9.5
57.29632	2.2
58.06602	12.9
59.06122	2.7
60.04500	2.5
60.05643	2.7
60.39054	2.1
67.05505	3.9
68.05032	11.8
69.03406	3.2
69.05354	2.7
69.07063	2.8
70.02951	3.9
70.06588	43.7
71.06110	9.1
71.06924	10.8
71.30586	3.8
71.30914	2.1
72.04505	5.6
72.08145	21.2
72.93776	3.7
79.05479	4.1
79.13423	2.1
80.05038	2.6
81.04539	24.3
81.05789	3.7
83.06100	100.0
84.05647	2.3
84.06454	2.2
85.07665	3.8
86.06071	5.1
86.07969	2.5
95.06075	9.8
96.04509	4.4
96.06429	5.3
96.08124	35.7
97.07656	5.5
98.08444	2.9
113.02375	13.6
113.03513	5.4
113.05971	2.9
113.07136	30.7
113.08345	9.6
113.09060	42.0
113.10746	25.8
114.06631	7.0
114.09146	8.0
114.10275	34.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	112.1123
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.2
54.03470	1.1
54.93830	0.5
55.01868	1.2
55.05507	14.8
55.93524	2.3
56.05029	3.0
56.05833	0.6
56.96561	8.6
57.03428	1.3
57.07071	0.4
58.06594	3.8
59.06120	0.3
67.01862	1.5
67.02998	0.7
67.05499	2.6
68.01364	0.5
68.05029	3.5
68.05822	0.3
69.03426	5.2
69.04543	1.6
69.07046	0.8
69.93999	1.8
70.02949	3.1
70.06587	13.7
70.94255	16.3
70.95857	7.9
71.04984	0.7
71.06116	0.5
71.06915	0.6
71.94096	38.0
71.95248	2.7
72.04506	0.8
73.05294	0.6
75.01055	0.3
81.03396	0.7
81.04524	0.8
82.01800	0.6
82.06560	0.6
83.06107	1.1
83.07358	0.4
83.08615	0.8
84.01529	0.5
84.04502	0.9
84.08135	83.5
85.02882	0.9
85.07669	0.7
85.08450	1.4
86.06053	0.5
88.02335	0.8
88.95288	4.5
88.96892	2.8
89.00755	0.6
89.95139	3.5
94.02922	1.0
94.04048	1.2
94.06576	1.0
95.01320	1.1
95.02448	6.7
95.04935	0.8
95.05530	0.4
95.06076	3.1
95.08599	0.5
96.00852	2.2
96.04491	0.9
96.08138	1.1
98.01309	0.3
98.06099	0.4
98.97634	0.4
100.02447	0.7
102.02229	0.6
106.96329	1.0
107.46642	0.3
107.96161	0.7
109.02826	0.3
110.01257	0.4
110.09660	0.4
111.96854	1.0
112.04005	2.2
112.05088	19.1
112.07607	8.3
112.08840	1.8
112.11232	100.0
112.96677	1.3
112.99996	0.7
113.02348	11.0
113.03481	4.1
113.05363	0.6
113.06051	0.4
113.07139	2.2
113.10774	0.8
113.11567	3.2
116.98600	0.4
118.03519	0.6
119.01841	0.5
124.14250	0.3
129.97862	0.9
130.97726	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1125.5032
Annotation	Unknow
Peak:m/z	Relative Intensity
80.83170	0.2
119.32401	0.2
149.38159	0.2
188.21359	0.2
229.90970	0.3
254.34605	0.2
260.02463	0.2
395.11111	0.3
397.12967	0.9
398.13712	0.4
399.14529	0.3
410.13599	1.4
411.14490	3.1
412.15341	2.6
413.16061	1.4
423.14511	0.7
424.10736	0.5
424.16245	1.3
425.16248	6.0
426.16833	4.5
427.17358	1.3
428.18481	1.1
437.15945	0.6
438.12891	1.1
438.17255	0.7
439.13544	9.3
440.13660	0.8
440.19113	3.7
441.19284	23.7
442.19601	2.3
443.19168	0.4
444.18417	0.2
451.13446	0.4
452.14365	2.3
453.15286	10.9
454.15805	2.9
455.21332	0.3
456.14740	0.2
457.14893	0.6
458.15814	0.3
459.20395	0.3
463.14078	0.5
465.15536	0.6
466.11752	0.4
466.17395	0.3
467.17154	17.1
468.17856	8.8
469.18774	8.7
470.19144	1.2
471.16757	0.7
472.17334	0.7
477.15753	0.3
478.16183	0.3
479.17432	0.3
480.16653	0.9
481.14713	10.1
482.15344	2.7
483.16318	0.7
485.18286	0.8
486.19321	0.3
487.19696	0.2
494.17630	0.4
495.16290	5.9
496.17126	11.2
497.17819	2.5
498.18539	0.7
499.15091	0.3
499.20386	0.6
508.19388	0.8
509.18295	1.6
512.21204	0.9
513.18427	0.3
514.22821	1.9
522.17450	0.6
523.19482	1.5
525.18109	0.2
527.23456	2.1
528.19543	0.3
536.18591	0.4
537.19342	0.7
538.18384	0.3
539.18909	0.4
540.19812	0.6
542.21417	0.9
555.22369	23.0
556.22595	1.7
557.22156	0.3
558.21484	0.3
568.19366	0.4
583.21863	68.0
584.22083	6.1
585.21759	1.5
586.21509	1.2
587.25378	1.3
600.21686	0.4
610.21069	0.4
611.21045	1.9
614.23535	0.8
615.24359	6.0
616.24634	0.4
642.23169	5.8
643.23895	100.0
644.24017	6.1
645.24078	1.5
646.23895	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	112.0508
Annotation	Cytosine
Peak:m/z	Relative Intensity
53.03925	0.4
54.03455	1.1
55.01862	0.6
55.05500	1.2
56.05014	1.7
56.05825	0.5
57.03414	0.6
58.06590	0.9
60.04514	0.9
67.01850	1.0
67.02982	1.3
67.05499	3.1
68.01375	1.8
68.05023	2.6
68.05828	0.3
69.03427	6.4
69.04182	0.6
69.04547	10.9
69.07046	1.0
69.24235	0.3
70.02940	1.8
70.06583	8.8
70.94260	3.7
70.95854	0.9
71.04958	0.6
71.06103	1.5
71.06913	1.4
71.94098	1.9
72.04491	0.7
73.05286	0.4
82.06565	1.0
82.31921	0.4
83.04974	0.4
83.06094	1.2
84.04491	1.1
84.05661	0.4
84.08138	5.3
85.02892	0.4
85.04005	0.6
85.07643	1.9
88.88470	0.3
88.95275	0.6
89.00216	0.6
91.13736	0.3
94.02985	0.4
94.04047	5.1
94.06542	1.1
95.01395	1.0
95.02444	33.2
95.04961	0.8
95.06082	2.9
95.06878	0.7
96.00848	0.6
96.02770	0.8
96.04501	0.4
96.08130	0.8
98.00771	1.3
103.68562	0.4
107.01308	0.5
112.04005	3.4
112.05082	100.0
112.07600	12.2
112.08723	8.2
112.09534	3.5
112.11227	3.6
113.02360	11.7
113.03473	1.8
113.05414	0.9
113.06069	0.5
113.07138	1.2
113.07906	0.4
113.10772	0.4
117.96023	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	112.0508
Annotation	cytosine
Peak:m/z	Relative Intensity
52.01890	0.5
53.03934	0.7
53.33290	0.3
55.01853	0.9
55.05506	3.3
55.93509	0.9
56.05027	0.9
56.96557	8.7
57.03426	0.5
58.06588	1.0
67.01868	0.5
67.02972	1.3
67.05497	1.4
68.01376	1.7
68.05022	1.7
68.96435	0.3
69.03439	2.1
69.04545	9.1
70.02948	16.8
70.06213	0.7
70.06585	11.5
70.25514	1.8
70.94251	14.3
70.95862	3.3
71.02424	0.5
71.04982	0.4
71.06911	0.4
71.94095	16.8
71.95242	1.2
76.51542	0.4
81.03397	0.5
81.04523	0.5
84.04490	0.5
84.08134	19.4
85.08443	0.5
88.02330	1.3
88.19572	0.4
88.95284	2.9
88.96901	0.8
88.99137	0.3
89.00756	0.5
89.95123	1.4
94.04033	4.9
94.06572	0.6
95.02444	32.2
95.06069	1.0
96.00845	10.4
96.01482	0.5
96.04456	0.7
96.08105	0.5
96.18457	0.4
97.53924	0.3
100.02469	1.6
100.51577	0.4
102.02265	0.6
103.02251	0.3
104.01238	0.4
110.01271	0.4
111.96857	1.0
112.05081	100.0
112.07582	4.3
112.08714	1.1
112.09542	1.2
112.11230	22.5
112.96684	0.7
113.02368	3.2
113.03483	21.4
113.05454	1.2
113.07130	0.8
113.10755	0.5
118.01032	0.4
118.03517	0.4
119.01865	0.7
129.97870	0.5
131.01894	0.6
133.03439	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	110.0716
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03453	0.9
55.05496	2.4
56.05029	1.3
66.03458	0.9
67.03004	1.0
67.04245	1.0
67.05507	1.1
68.04688	1.3
68.05023	16.7
68.05817	1.0
69.04190	1.4
69.04550	23.2
70.06587	8.5
70.68433	2.4
77.99947	1.0
82.03761	1.0
82.06570	2.3
83.04989	1.3
83.06099	6.7
87.00461	8.0
90.94812	0.8
93.04504	4.8
96.00964	1.2
97.00983	2.1
98.51247	3.1
101.82215	0.7
110.06067	8.5
110.07157	100.0
111.04428	3.4
111.05563	2.7
111.07465	1.7
111.08120	0.9
111.09205	15.1
113.96397	3.3
115.96425	1.2
121.27055	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	112.0507
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56380	0.4
52.01896	0.5
54.03452	1.1
55.05484	0.5
56.16196	0.4
61.25820	0.3
63.36842	0.4
65.39804	0.4
67.01827	0.4
67.02972	1.2
67.05490	0.4
68.01365	1.7
68.05029	0.7
69.03430	2.2
69.04545	9.4
69.77198	2.6
70.02935	1.7
70.06584	4.0
70.94247	0.8
71.94078	0.9
81.04527	2.3
83.06117	0.6
84.04456	0.5
84.08131	6.5
85.04015	0.5
88.12791	0.4
94.04038	4.7
95.02442	30.7
95.06077	4.3
96.00835	1.2
96.27348	0.4
98.21550	0.4
112.05077	100.0
112.07594	3.2
112.11228	6.5
112.99986	0.8
113.02362	1.1
113.03491	3.3
113.05417	1.3
113.07124	1.9
130.04039	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	110.0603
Annotation	3-Hydroxy-2-Methylpyridine
Peak:m/z	Relative Intensity
52.30084	0.1
53.03931	0.5
54.04271	0.7
55.01857	0.5
55.02987	0.3
55.05505	1.2
56.05011	0.3
56.96547	0.5
65.03931	1.3
67.04235	0.6
67.05500	0.9
68.05016	0.3
68.05827	0.2
68.99786	4.0
69.03406	0.2
70.06581	0.2
70.39971	0.2
79.04184	0.2
80.05009	13.7
81.03407	0.5
81.05319	0.3
82.03744	1.2
82.06571	1.7
83.04967	1.3
83.06097	1.3
92.05000	2.8
93.04518	0.6
93.05776	10.6
94.06071	0.2
98.97603	0.2
108.04488	0.2
109.05255	0.7
110.06033	100.0
111.03210	0.2
111.04429	1.9
111.05632	0.4
111.06347	1.8
111.09190	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	110.0715
Annotation	Brunfelsamidine
Peak:m/z	Relative Intensity
50.68793	0.6
55.05494	1.9
56.05013	1.9
62.00279	0.5
65.03925	0.9
66.03452	0.8
67.02981	1.4
67.04256	1.0
67.05499	1.1
68.05021	18.7
68.05825	1.2
69.04547	21.9
69.07051	0.7
70.06216	1.1
70.06586	18.3
70.32565	0.9
70.32983	1.9
72.61111	0.7
79.20098	0.5
80.04997	0.5
82.06560	2.5
83.04984	1.2
83.05653	0.8
83.06103	7.4
84.08146	0.6
87.00475	3.3
89.94684	0.6
92.04993	0.6
93.04523	5.1
93.07036	0.6
94.06564	0.7
96.00972	0.6
96.06869	0.9
97.00990	1.7
97.72078	0.5
98.20776	0.8
98.51247	1.2
110.02028	0.6
110.06070	10.3
110.07157	100.0
111.04432	2.5
111.05560	2.2
111.06692	0.6
111.07497	1.8
111.09197	31.1
113.96399	1.3
115.96386	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.0287
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01599	0.5
51.02371	1.7
53.00290	0.5
53.03941	26.4
54.04279	0.7
55.01862	1.8
55.05507	1.0
56.96556	0.8
65.03933	1.9
67.04238	0.4
67.05499	5.5
67.35407	0.2
68.05048	0.4
68.18629	0.3
69.07082	0.3
71.10441	0.3
71.10771	0.5
74.65186	0.2
78.86718	0.3
79.04261	0.4
79.05495	2.1
80.05010	11.6
81.03410	53.3
81.07050	4.0
82.03739	1.6
82.06570	2.0
83.04960	0.4
83.06078	0.4
90.56564	0.3
91.05479	1.5
92.04996	2.6
93.04520	0.3
93.05777	9.2
94.04172	2.1
97.53700	0.3
100.02454	0.3
107.04945	0.5
107.66419	0.2
108.04487	0.6
109.02871	10.2
109.05195	0.9
109.06504	3.7
109.07629	1.2
109.10126	1.4
110.06029	100.0
118.03490	0.3
121.26893	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.1014
Annotation	4-Vinylcyclohexene
Peak:m/z	Relative Intensity
50.71824	0.3
51.02379	0.4
53.03941	5.9
55.01867	1.0
55.05504	10.9
56.05038	0.4
56.05861	0.3
62.73272	0.3
65.03936	6.4
66.04693	0.4
67.05497	100.0
68.05016	5.1
68.05819	2.1
69.04545	1.0
69.07061	6.4
71.20903	0.7
79.05486	15.4
80.05019	0.7
80.05842	0.6
80.06271	1.9
81.03407	8.7
81.04545	0.6
81.07047	36.0
82.06580	3.9
82.07378	1.2
83.06088	0.6
87.00448	0.7
91.05473	3.6
92.04991	1.1
94.04185	1.7
94.07821	1.8
95.04961	0.4
105.07030	0.7
105.22367	0.3
107.04929	0.8
107.08572	3.5
109.02863	2.0
109.06505	11.2
109.07633	9.9
109.10143	37.0
110.06046	4.6
110.07181	3.0
110.09724	0.3
110.10453	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	110.0603
Annotation	3-Hydroxy-2-Methylpyridine
Peak:m/z	Relative Intensity
50.15948	0.2
52.08458	0.2
53.03927	0.8
53.64287	0.2
54.04269	0.7
55.01865	0.4
55.02978	0.5
55.05503	2.4
56.05031	4.2
56.49562	0.2
56.96559	1.1
65.03933	1.9
67.04226	0.8
67.05489	0.8
68.02607	0.2
68.05015	0.8
68.95276	0.6
68.99773	0.9
69.03416	0.2
69.04538	0.5
70.06580	1.5
71.73553	0.3
74.21577	0.2
79.04180	0.3
80.05006	12.8
81.03412	0.6
81.04528	1.7
82.03730	1.6
82.04169	0.3
82.05324	1.5
82.05744	0.3
82.06566	3.2
82.07359	0.3
83.04992	3.4
83.06093	19.4
87.00458	0.4
92.05001	2.6
93.04523	11.8
93.05774	9.6
94.06557	0.4
98.97593	0.3
100.02440	0.4
109.05251	0.4
109.38592	0.2
110.06028	100.0
110.07125	14.6
111.00745	0.2
111.04434	3.0
111.05563	1.3
111.06374	1.8
111.07476	0.3
111.09174	4.2
113.96381	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.0286
Annotation	o-Benzoquinone
Peak:m/z	Relative Intensity
50.01590	1.1
51.02380	3.1
53.00315	0.4
53.03942	63.2
54.04276	1.4
55.01876	3.0
55.05510	0.7
56.05034	0.4
65.03599	0.3
65.03941	1.0
67.04250	0.6
67.05498	5.5
67.73683	0.3
68.05026	1.8
69.04553	0.3
69.70490	2.5
79.05486	1.3
80.05004	0.4
81.03410	100.0
81.07037	2.2
82.03743	2.6
82.06582	1.9
91.05472	0.6
92.04983	0.3
94.04159	0.7
109.02869	35.0
109.06494	1.3
109.07641	3.2
109.10150	1.5
110.03210	0.9
110.06036	4.0
110.07146	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.0287
Annotation	o-Benzoquinone
Peak:m/z	Relative Intensity
50.01593	0.7
50.35617	0.4
51.02377	3.8
53.00298	0.5
53.03941	73.4
54.03460	0.4
54.04280	1.5
55.01860	0.9
55.05506	1.8
55.79709	0.4
56.96563	0.6
57.30194	0.4
65.03937	4.0
67.02982	0.5
67.04239	1.9
67.05497	9.8
67.93562	1.5
68.05019	8.5
68.95257	0.4
69.04539	0.8
69.05795	1.1
69.48170	0.4
71.38028	0.8
71.38384	0.4
73.17973	0.4
76.59732	0.5
79.05486	2.8
80.05012	0.8
81.03409	100.0
81.07040	4.0
82.03735	2.1
82.05299	0.7
82.06569	8.7
87.00453	0.7
91.05460	1.0
92.05006	2.4
93.82389	0.4
94.04190	1.2
109.02866	17.4
109.04822	0.5
109.06538	3.2
109.07630	19.9
109.10135	3.2
110.03214	0.4
110.06030	8.1
110.07153	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1074.5873
Annotation	Unknow
Peak:m/z	Relative Intensity
74.55607	0.2
79.05019	0.3
79.05476	4.5
81.07043	16.1
83.04950	0.7
83.08611	5.2
85.06554	0.3
91.05464	2.7
93.07027	4.3
95.04929	0.5
95.08589	12.2
97.06525	1.0
97.10158	2.5
98.06042	0.3
99.08064	0.5
105.07021	2.6
107.08556	2.2
109.06531	0.3
109.10139	5.0
111.08069	0.6
111.11702	0.6
113.09662	0.3
119.08578	1.4
121.10135	2.2
121.26566	0.2
123.08018	0.3
123.11674	2.0
124.01572	0.5
125.09622	0.5
131.08557	0.3
133.10121	2.1
135.11664	1.5
137.09590	0.3
137.13257	0.9
147.11653	1.0
149.13199	0.8
149.16020	0.2
151.14777	0.3
153.12619	0.2
159.55806	0.2
161.13268	1.0
163.14789	0.7
175.14796	0.8
177.16382	0.2
189.24997	0.2
198.05132	0.4
216.06267	0.5
245.22554	0.4
263.23669	0.7
306.27869	2.8
337.27313	100.0
338.27765	1.7
417.23865	0.2
460.28256	0.8
463.40143	0.2
478.29214	3.5
543.18890	0.3
748.01746	0.2
792.34583	0.2
1083.93872	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1074.5879
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05486	5.3
81.07047	18.7
83.04932	0.5
83.08177	0.2
83.08609	3.7
85.05264	0.3
85.06495	0.8
85.10113	0.3
85.41245	0.3
91.05466	3.0
93.07039	6.7
95.04932	0.7
95.08595	14.7
97.06491	1.1
97.10162	2.3
98.06010	0.9
98.98454	7.0
99.08030	0.4
105.07022	2.0
107.08582	4.3
108.62126	0.3
109.06420	0.3
109.10146	6.6
111.07992	0.5
111.11668	0.4
119.08546	2.2
121.10152	3.0
123.08086	0.4
123.11681	2.6
124.01603	1.4
125.09571	0.3
133.10106	2.6
135.11682	2.2
137.09575	0.5
137.13206	1.2
142.02594	1.0
147.11655	1.4
148.21111	0.3
149.13214	1.2
151.14810	0.7
153.12729	0.4
155.01027	4.6
161.13268	1.5
163.14714	0.8
165.16312	0.4
173.02043	1.7
175.14769	1.0
177.16287	0.5
185.45390	0.2
185.51666	0.3
189.16457	0.4
198.05281	2.0
211.84885	0.3
216.06296	3.3
234.55423	0.2
245.22664	1.6
262.25262	0.3
263.23676	5.6
306.27890	16.8
307.28238	0.5
318.95627	0.3
319.26135	0.9
337.27328	100.0
338.27643	1.6
417.23972	4.6
460.28207	30.6
461.28433	0.4
474.79706	0.3
478.29257	37.4
479.29202	0.5
733.89008	0.3
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
50.01594	0.2
51.02373	0.8
53.03941	4.4
55.01864	0.4
56.96545	0.1
59.65142	0.1
61.05346	0.1
65.03933	0.5
65.33464	0.1
66.12866	0.1
67.05510	0.2
69.97409	0.1
71.42150	0.2
77.03938	0.7
78.18085	0.1
79.05486	100.0
80.05022	1.7
80.05810	2.9
81.03410	0.7
81.04511	0.1
91.05473	3.0
93.05791	0.5
95.04961	12.0
96.04501	0.3
96.05296	0.4
105.04513	2.4
105.07018	0.9
106.06553	0.1
107.04948	6.8
107.08591	0.9
108.04487	1.3
108.05559	0.3
108.08107	0.8
109.06520	0.5
115.39577	0.1
118.06524	0.2
124.03959	0.3
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
51.97007	0.4
53.03932	2.5
55.01867	0.7
55.08214	0.4
61.58324	0.5
65.03932	15.8
67.04235	1.3
67.05492	4.3
77.03875	0.6
79.05485	32.4
80.05011	4.8
80.05786	0.7
84.96655	0.4
89.66131	0.4
91.05470	100.0
92.05789	2.0
92.06300	3.7
93.05760	0.7
93.21627	0.5
95.04959	6.3
96.04514	0.5
101.94516	0.4
102.63797	0.5
105.04469	0.8
105.07021	27.6
107.04940	8.7
107.06058	2.9
107.08581	27.7
108.04475	2.0
108.05576	0.7
108.08099	2.2
108.08820	0.8
108.22469	0.4
109.06501	12.1
119.06057	4.2
124.05221	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0494
Annotation	Aromatic aldehyde
Peak:m/z	Relative Intensity
51.02373	1.7
53.03938	10.6
55.01862	1.3
55.58989	0.2
56.96562	0.3
65.03928	0.7
65.30762	0.2
66.04723	0.5
67.04236	1.7
71.47415	0.5
77.03911	2.2
79.05481	100.0
80.05017	3.3
80.05811	3.2
80.06267	2.0
81.03400	1.0
89.03885	0.5
90.04692	1.5
91.05467	3.8
92.03705	0.4
93.05769	0.3
95.04951	21.1
96.04488	0.4
96.05280	0.7
99.67804	0.2
102.55533	0.3
105.04507	4.4
105.07021	0.9
106.06544	0.5
107.04936	43.5
107.05964	2.2
107.08587	0.8
107.89581	0.2
108.04454	1.0
108.05762	4.3
108.08096	0.7
109.06519	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1064.5616
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05484	40.9
81.03410	24.8
81.07047	51.7
83.04975	4.7
83.08589	8.8
85.02905	6.5
85.06536	3.8
91.03944	2.4
91.05467	39.1
93.07032	46.4
94.07352	1.1
95.01309	7.3
95.04951	15.4
95.08595	44.0
97.02884	4.0
97.06508	5.7
97.10163	3.6
103.05482	2.6
104.10741	2.3
105.07017	35.8
107.04951	8.2
107.08579	25.1
109.02873	1.6
109.06521	5.5
109.10143	14.0
111.08067	3.3
111.11706	1.2
115.05464	2.9
117.07001	17.8
119.04955	3.4
119.08568	29.7
121.02824	2.7
121.06490	11.1
121.10132	18.6
123.04403	3.7
123.08066	4.7
123.11662	5.6
125.02309	2.8
125.09650	2.2
127.03921	2.1
128.06232	3.4
129.01767	1.2
129.06984	13.7
130.05473	1.2
130.07758	1.1
131.04890	2.3
131.08545	27.9
131.09464	2.2
133.06471	3.5
133.10106	22.0
135.04375	3.4
135.08047	4.3
135.11682	11.2
137.05811	1.3
137.09566	2.4
137.13164	1.4
141.01791	3.6
141.07005	3.5
142.07777	2.1
143.08536	13.9
145.06436	2.1
145.10107	25.8
147.04402	5.3
147.08058	4.4
147.11674	13.0
149.06015	2.8
149.09612	3.2
149.13242	6.9
151.03894	1.3
151.11082	1.7
155.08536	6.2
156.09401	1.4
157.06425	1.2
157.10106	8.9
159.04437	1.1
159.08121	2.3
159.11679	22.1
161.05891	1.3
161.09621	3.3
161.13208	8.9
163.03929	4.7
163.07477	2.0
163.11203	3.3
163.14848	1.5
164.76085	1.2
165.06953	1.8
167.08548	1.6
169.10126	6.6
171.08005	1.3
171.11678	15.0
173.05981	1.8
173.09639	1.9
173.13240	8.9
175.11107	1.4
175.14799	2.5
177.12793	6.9
179.08525	1.3
179.14349	3.5
181.10127	2.7
183.11655	5.9
185.09769	1.4
185.13271	7.3
187.07549	1.4
187.11140	4.0
187.14835	6.0
189.12747	4.6
191.14301	2.0
193.10176	1.3
195.11684	2.6
197.13214	5.2
199.11046	1.4
199.14807	3.6
201.12749	2.2
201.16376	1.3
205.12041	2.1
205.15909	1.3
207.11812	2.2
207.13763	21.2
209.13280	2.3
211.14780	1.9
213.12688	1.1
215.10667	1.7
215.14404	2.5
217.12459	1.7
219.13771	1.4
219.17331	1.4
221.13261	2.3
223.11156	1.9
223.14914	1.7
225.14627	1.3
233.15320	2.9
241.19450	1.9
243.13864	1.9
245.19092	1.4
259.20520	4.0
261.14859	10.5
261.22162	3.7
271.13470	1.3
271.20520	1.7
273.15009	1.8
279.15884	1.7
285.22141	2.0
289.14288	13.9
291.16028	2.7
293.17468	1.3
303.23093	2.9
307.15298	9.8
311.23532	1.9
317.20712	1.3
317.24713	1.4
325.16376	6.6
332.72858	1.2
333.24298	1.7
335.14832	7.5
335.25806	25.3
336.26221	1.6
353.15884	4.4
363.26950	1.2
387.71362	1.5
419.33194	3.1
427.19604	75.2
428.19949	3.1
429.21103	3.7
437.34018	4.6
445.20490	1.7
447.32352	1.2
455.35291	2.8
483.35507	1.2
511.37799	4.5
529.38849	86.5
530.39288	8.1
531.34235	1.8
549.35632	3.8
551.37122	1.5
565.29797	1.7
567.36951	3.0
569.29712	2.3
577.34985	4.6
583.30756	2.2
585.37421	1.7
595.36298	4.9
605.37946	1.5
613.37103	11.6
615.37671	1.5
623.38940	3.2
631.38318	4.6
633.37335	5.8
641.40570	2.7
651.38660	5.4
659.40704	1.9
669.39661	8.5
687.40967	55.0
688.41132	2.9
705.41998	100.0
706.42102	5.4
947.20306	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1064.5625
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05486	32.8
81.03411	16.0
81.07047	45.4
83.01353	0.7
83.04965	3.8
83.08614	6.6
85.02901	5.8
85.06527	2.4
91.03947	2.2
91.05469	31.3
93.07034	38.6
95.01327	4.4
95.04957	11.1
95.08593	36.8
97.02875	3.4
97.06527	4.7
97.10144	3.8
99.08096	1.2
103.05461	1.5
105.07021	25.3
107.04958	5.7
107.08582	21.0
109.02854	1.0
109.06508	5.3
109.10146	14.3
109.10876	1.0
110.10502	0.8
111.08075	3.1
113.02354	0.8
115.05455	1.6
116.06221	0.8
117.07012	13.7
119.04942	1.8
119.08568	22.9
121.02872	0.7
121.06506	9.0
121.10136	16.8
123.04444	2.7
123.08080	3.5
123.11692	5.5
125.02372	2.1
125.05996	0.7
125.09633	1.6
126.59408	0.6
127.03897	1.6
128.06245	2.6
129.01822	0.8
129.06984	9.9
130.07738	0.6
131.04907	1.6
131.07582	0.7
131.08549	20.2
133.06465	3.5
133.10115	16.5
135.04427	2.4
135.08073	3.0
135.11671	11.2
137.05978	2.1
137.09618	2.3
137.13228	1.2
139.03883	1.3
139.11177	0.8
141.01831	2.8
141.06931	3.2
142.07809	1.5
143.08556	8.3
145.06508	2.4
145.10104	18.3
147.04428	2.8
147.08061	3.3
147.11678	11.0
149.05980	2.3
149.09615	2.8
149.13246	5.6
151.03894	0.8
151.11212	1.4
155.03564	0.6
155.08580	4.5
156.09383	1.4
157.10121	8.8
159.08075	2.2
159.11684	14.7
161.05954	1.2
161.08173	0.6
161.09627	3.0
161.13231	7.2
163.03929	2.6
163.07571	2.0
163.11221	1.7
163.14799	1.8
165.05495	1.0
167.08617	1.7
169.10088	4.9
171.08067	1.2
171.11673	11.2
173.06003	1.5
173.09650	1.6
173.13223	10.4
173.14580	0.8
175.07640	1.1
175.11229	2.1
175.14886	2.2
177.12717	5.7
179.08633	0.7
179.14304	1.1
181.10115	2.9
183.11702	4.3
185.09610	1.1
185.13222	6.1
187.07559	0.8
187.11226	2.2
187.14755	5.3
189.12712	3.2
191.14340	0.9
193.10138	0.9
195.11765	3.0
197.09616	1.0
197.13232	4.7
199.11227	1.6
199.13205	1.0
199.14812	4.5
201.12790	2.0
201.16399	1.3
203.14342	1.0
205.10257	0.7
205.12190	1.6
205.15918	1.2
207.11812	1.4
207.13788	12.7
209.09598	0.8
209.13292	1.8
211.14796	1.4
213.16417	1.3
215.14264	2.2
217.12209	1.2
217.15831	1.2
219.13838	1.3
219.17430	1.0
221.13382	1.2
221.15414	1.1
223.14873	1.2
225.16541	1.2
227.14276	1.2
229.12292	1.0
233.15407	2.6
239.17973	0.7
241.19635	1.2
243.13837	1.5
243.21004	1.4
247.13113	0.9
249.18686	1.1
251.18227	0.7
259.20648	3.9
261.14914	7.4
261.18634	1.1
261.22244	3.9
263.16446	0.7
267.21371	0.6
271.13330	1.6
271.20392	1.2
273.15240	0.7
275.20181	1.5
277.21893	1.0
279.15979	0.8
285.22134	3.0
289.14294	10.1
289.16992	0.9
291.16013	2.0
293.13937	2.0
293.17505	1.2
293.21136	1.0
297.22122	1.3
299.23654	1.6
301.21689	0.9
303.23199	2.8
307.15298	8.4
309.17349	0.9
311.14575	0.9
311.23871	1.1
317.13971	1.1
325.16284	4.0
329.24680	0.7
331.22751	0.7
333.24371	3.5
335.15018	4.3
335.25781	44.9
336.26306	1.5
353.15897	5.1
359.25900	0.9
385.18546	1.2
419.33139	2.1
427.19629	37.9
428.20242	1.0
429.20837	3.1
437.34079	6.0
445.20764	1.5
455.35226	2.8
465.33862	2.1
469.25223	0.7
473.36090	0.9
483.34735	1.2
491.26773	0.9
511.37747	5.4
512.38153	0.7
513.33850	1.3
529.38843	78.8
530.39307	5.8
531.34552	2.6
539.37219	1.4
541.33545	1.6
549.35675	3.8
550.36707	0.7
551.28564	0.8
551.37341	1.6
559.34387	2.1
565.29865	0.9
567.37164	3.0
569.29578	1.3
569.38025	1.0
577.35754	3.7
583.31091	1.5
585.37836	1.8
595.37335	5.3
605.38086	2.0
607.39935	0.8
609.32361	2.1
613.37323	14.9
621.38397	1.1
623.39465	3.2
625.40826	1.0
631.38782	3.1
633.37872	4.1
635.34253	1.0
641.40338	3.1
651.38763	5.7
652.38690	0.8
659.41461	2.9
669.39960	8.1
687.40948	61.8
688.41339	4.2
688.52008	0.9
705.42023	100.0
706.42493	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	106.0654
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	0.6
53.03933	2.1
60.04516	2.1
62.84544	0.4
63.77118	0.4
64.92793	0.8
65.03933	1.1
65.76026	0.5
67.04231	1.6
69.88213	2.6
77.03899	0.6
79.05485	95.3
80.05014	1.9
80.05813	2.7
88.03992	0.6
91.05470	2.2
95.04942	4.2
96.04515	0.6
96.67489	0.5
98.21442	0.7
105.04501	0.6
106.06543	100.0
107.04950	5.4
107.06089	2.1
107.06880	3.4
107.08617	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	106.0654
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	0.7
53.03946	4.4
55.01868	0.6
56.96559	1.0
59.03736	0.7
60.04520	4.0
64.92802	0.7
65.03938	2.1
66.79118	0.4
67.04247	4.1
69.06352	0.5
70.06590	0.7
70.43515	2.1
77.03915	0.8
79.05486	100.0
80.05009	5.8
80.05832	2.0
91.05471	5.2
95.04398	0.7
95.04958	6.4
96.04475	1.3
96.05300	0.8
104.05756	0.6
105.04504	1.3
105.07043	1.6
106.06545	90.9
107.04951	7.9
107.06084	4.8
107.06882	2.3
107.08585	1.6
109.06526	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1050.4742
Annotation	Unknow
Peak:m/z	Relative Intensity
74.86137	0.1
85.06526	1.4
85.64642	0.1
86.09689	0.1
95.04954	41.9
96.05247	0.5
113.05989	100.0
114.06297	0.9
131.06976	0.3
135.43843	0.1
154.08653	0.3
155.06998	1.4
173.08078	7.4
207.10176	0.2
209.28192	0.1
210.31750	0.1
215.09048	0.7
225.11191	15.6
226.11569	0.3
226.85249	0.1
267.12286	0.9
285.13287	25.9
286.13611	0.5
327.14362	0.3
337.16391	3.2
345.15375	1.3
379.17279	0.2
387.16486	0.3
397.18549	3.7
398.18607	0.1
426.73758	0.1
439.19537	0.2
449.21936	0.2
457.20633	4.9
499.21600	0.2
509.23795	1.4
510.24240	0.1
517.22852	0.1
569.25854	0.7
621.28375	0.1
629.28180	0.5
681.30908	0.4
853.38715	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	106.0654
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01579	0.2
51.02364	0.5
53.03713	0.3
53.03940	3.5
55.33369	0.2
56.96566	0.5
59.03740	0.3
60.04521	2.2
65.03924	0.8
67.04233	2.4
70.06577	0.5
70.63509	0.7
77.03905	0.6
78.03426	0.3
79.05485	20.3
79.54813	0.2
79.89501	0.3
80.05006	3.5
80.05807	0.7
81.03410	0.4
88.07626	0.3
89.03929	0.4
91.05472	3.5
94.99827	0.2
95.04961	5.9
96.04478	3.5
96.05293	0.6
98.20783	0.3
105.04531	1.7
105.07025	1.0
106.06544	100.0
107.04945	5.4
107.06080	1.6
107.06876	2.8
107.08582	1.0
109.06503	0.5
115.64789	0.2
115.95946	0.2
119.06087	0.2
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
54.61596	1.2
56.79741	1.2
58.06582	5.9
60.05639	1.3
60.08156	54.4
69.45087	5.2
69.45506	9.0
74.74932	1.2
103.05428	2.0
104.10731	100.0
105.07040	1.9
105.11054	2.4
124.27886	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0701
Annotation	Bicyclo[4.2.0]octa-1,3,5-triene
Peak:m/z	Relative Intensity
50.01576	0.8
51.02364	2.5
51.15752	0.5
53.03941	13.9
55.01856	1.6
59.03734	0.7
60.03741	0.5
60.04512	2.2
61.08485	0.9
65.03941	3.0
69.56311	1.4
69.56717	4.5
70.65649	0.6
74.41755	0.6
77.03927	3.4
79.05483	52.6
80.05794	1.2
81.03427	1.2
86.02877	0.5
87.06406	0.7
88.04811	0.6
91.05450	0.7
95.04958	25.6
96.04455	0.7
103.05455	34.8
105.03405	0.9
105.04515	7.6
105.07017	100.0
105.11077	1.9
106.06545	2.5
106.07346	2.6
118.06568	0.5
118.40855	0.6
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
55.30569	0.2
56.05024	0.2
58.06594	6.1
59.07376	1.9
60.08160	52.2
60.96806	0.2
61.01135	0.3
61.08486	0.4
69.03426	1.9
69.64619	1.8
70.68004	0.2
74.06099	0.2
82.44051	0.2
86.06063	0.7
87.04453	2.9
104.10735	100.0
105.11040	1.5
116.92468	0.2
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
54.30758	0.1
57.06776	0.1
58.06591	5.7
59.06930	0.1
59.07375	1.4
60.08155	54.4
61.08488	0.4
62.03563	0.1
64.01899	0.1
70.94402	0.2
79.05470	0.1
80.03947	0.1
86.09700	0.3
88.07609	0.2
95.04968	0.1
103.05476	0.1
104.10728	100.0
105.06992	0.2
105.10424	0.1
105.11047	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	104.1073
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06586	6.3
60.08160	50.5
60.33886	2.2
63.77949	2.2
64.14193	2.5
67.65990	2.2
70.92115	7.6
74.66116	2.3
104.10735	100.0
115.24883	2.2
121.22279	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	104.1073
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06591	12.4
59.07373	3.4
59.07629	0.1
60.08156	87.5
61.07852	0.2
61.08495	0.7
62.92977	0.5
64.01938	0.1
69.62170	0.5
69.62596	0.5
79.84970	0.1
86.09702	0.4
87.04467	0.1
88.07617	0.2
104.10728	100.0
105.04443	0.2
105.06990	0.1
105.11050	1.6
114.59894	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	104.1073
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06591	6.2
59.07373	1.8
60.08157	60.1
61.08498	0.4
69.03433	0.6
69.89336	1.2
86.06049	0.4
87.04457	0.9
97.86845	0.2
104.10730	100.0
105.11073	0.9
112.82375	0.2
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
53.90646	0.2
55.61288	0.4
58.06592	6.8
58.49672	0.3
59.07365	1.9
60.08158	58.9
61.08497	0.4
69.03407	0.7
71.16888	0.5
71.61948	0.2
74.06078	0.4
86.06055	0.8
86.69993	0.3
87.04456	1.7
100.00900	0.3
104.10733	100.0
105.11057	1.3
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
58.06587	8.2
59.07372	1.7
60.08157	59.4
63.35429	1.1
70.87391	1.6
70.87730	1.6
77.47321	0.9
83.02419	0.9
104.10733	100.0
105.11095	1.2
111.45728	1.1
111.58295	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	104.1073
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06595	4.6
58.67180	0.2
59.07372	1.3
60.08158	49.2
61.08504	0.3
62.92994	0.2
64.01901	0.2
71.39638	0.2
71.39964	0.2
76.14987	0.2
87.93124	0.2
104.10733	100.0
105.07030	0.2
105.11069	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1032.4639
Annotation	Unknow
Peak:m/z	Relative Intensity
72.08142	0.1
75.71399	0.1
76.02221	0.9
79.05479	0.2
79.61615	0.1
81.03410	0.4
81.07044	0.4
83.08591	0.1
84.04486	0.4
84.08131	0.6
85.06535	0.2
86.09666	0.1
91.05474	0.3
93.07024	0.2
94.06535	0.4
95.04953	37.8
96.04436	0.1
96.05286	0.3
105.07054	0.2
107.08595	0.1
108.54679	0.1
109.10175	0.1
112.07588	100.0
113.05984	23.4
113.07930	0.6
114.06308	0.2
116.01668	0.2
119.08612	0.1
121.10180	0.1
130.04979	0.1
130.08623	0.5
131.07115	0.1
131.08521	0.1
133.10135	0.1
135.11722	0.1
142.03181	0.1
144.01117	0.1
147.11577	0.1
148.61185	0.1
154.08600	0.2
154.43758	0.1
155.07008	3.0
162.02180	0.5
173.08095	1.4
179.04814	0.9
193.12212	0.1
206.11888	0.1
207.10193	0.4
215.09125	0.7
224.12784	21.0
225.11205	0.7
225.13158	0.2
233.05824	0.2
242.13870	0.8
245.05617	0.1
267.12195	0.8
267.15756	0.5
284.14880	22.0
285.13226	0.2
285.15689	0.1
308.09058	1.7
308.12143	0.1
327.14462	0.2
335.25665	0.3
336.17996	3.2
345.15366	0.3
387.16315	0.2
396.20145	0.7
397.18472	0.2
448.23349	0.2
456.22229	0.8
458.55099	0.1
508.25467	0.8
527.37256	0.2
552.61230	0.1
568.27148	0.2
569.25507	0.1
628.29401	0.1
680.32257	0.1
929.78064	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	104.0709
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05046	0.0
58.06588	7.1
59.06902	0.1
59.07372	1.9
60.08152	60.6
60.14876	0.0
61.07848	0.1
61.08484	0.5
61.08776	0.0
68.05019	0.1
69.03419	1.2
71.07303	0.0
71.09224	0.1
72.95212	0.0
86.06056	0.5
86.09691	0.2
87.04452	2.4
88.04784	0.0
88.07605	0.2
89.08443	0.0
103.95081	0.0
103.95747	0.0
104.10721	100.0
104.26064	0.0
105.10445	0.1
105.11038	1.5
119.01890	0.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	104.1073
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06353	0.8
58.06595	9.6
59.07361	2.2
60.08156	65.9
61.08467	0.9
64.01891	1.8
71.24683	0.6
71.25006	1.2
79.05464	1.2
95.04967	0.8
96.05903	0.7
103.05495	0.9
104.10730	100.0
105.04539	1.0
105.07030	1.6
105.11064	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	104.1073
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87836	0.1
54.33244	0.1
58.06589	4.7
59.07375	1.4
60.08155	50.7
61.08495	0.3
62.92981	0.2
66.12218	0.1
71.00724	0.3
86.09687	0.1
88.07611	0.2
104.10728	100.0
105.10422	0.2
105.11059	1.4
120.62840	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	104.1073
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06594	5.2
59.07380	1.1
60.08161	50.9
69.39630	1.1
69.40048	3.1
81.72470	0.3
94.44218	0.3
98.20743	0.8
103.39915	0.3
104.10735	100.0
105.04487	0.3
105.07032	0.5
105.11094	1.8
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
60.08157	45.7
70.91164	53.9
70.91500	100.0
86.45910	39.9
90.37309	41.2
95.49332	39.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	104.1073
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05007	0.1
58.06590	4.9
59.07372	1.6
59.40714	0.1
60.08155	51.8
61.08492	0.5
62.92976	0.2
69.03455	0.1
70.04765	0.5
85.68367	0.1
86.09666	0.2
104.10727	100.0
105.04507	0.1
105.10424	0.1
105.11045	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	103.0546
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01588	0.7
51.02378	3.4
53.03941	24.6
55.01854	1.2
56.05019	1.3
56.96547	0.5
57.03420	0.8
57.05355	1.3
58.02954	0.4
58.06599	2.5
59.06123	2.2
60.04527	0.6
60.08162	3.0
62.06082	3.6
71.04055	0.6
71.04395	1.0
73.07668	0.8
75.05603	0.5
77.03918	6.1
81.03396	2.7
81.57322	0.4
85.02902	1.2
85.07659	0.8
86.06055	2.2
86.09650	0.6
95.04957	45.9
95.50774	0.4
96.05333	0.7
102.04674	5.4
102.07586	0.4
103.04044	2.7
103.05455	100.0
103.08685	5.7
104.05774	2.0
104.10720	4.0
105.04501	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	103.0545
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01600	1.0
51.02365	3.4
53.03942	24.4
56.05022	0.9
56.96542	1.0
57.03420	1.8
57.05350	2.3
58.06593	2.4
59.06125	9.2
60.04520	1.4
60.08147	3.6
62.06078	2.2
63.33287	1.0
65.77946	1.1
69.71687	7.1
73.07665	1.1
77.03938	4.7
81.03423	1.5
85.02890	4.1
85.07635	0.9
86.03235	1.1
86.06047	2.0
92.85747	1.0
95.04961	40.8
98.20697	2.0
102.04681	4.9
103.03953	4.4
103.05459	100.0
103.08693	5.2
103.09284	0.9
104.05815	2.4
104.10742	5.3
105.04501	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	103.0545
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01577	0.5
51.02369	2.9
53.03941	19.8
54.73596	0.4
55.01860	0.8
56.05010	0.7
56.96548	0.8
57.03421	0.5
57.05356	1.4
58.06585	1.2
59.06115	4.3
60.04501	1.0
60.08146	1.1
62.06072	1.5
68.99815	0.5
71.50267	1.1
72.14765	0.5
73.07646	0.4
74.55614	0.4
77.03926	3.9
81.03402	1.9
85.02896	0.9
86.03227	0.8
86.06036	1.2
95.04958	38.6
96.05288	0.5
102.04662	4.6
103.05457	100.0
103.08687	2.2
104.05792	2.7
104.10732	2.3
105.04504	8.3
118.06519	0.6
120.82980	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	103.0545
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01589	0.8
51.02373	3.3
52.84229	0.5
53.03943	20.5
54.37415	0.5
55.01865	1.2
56.96555	1.3
57.05342	0.7
58.06585	0.7
59.06114	3.5
59.39797	0.5
60.04498	0.7
60.08153	1.7
64.32825	0.5
64.65618	0.5
71.14513	1.2
75.05539	0.6
77.03910	3.7
81.03403	2.0
85.02909	0.8
86.03196	0.9
86.06050	1.4
95.04958	35.9
102.04700	3.5
103.05457	100.0
103.08678	1.4
104.05791	2.4
104.10736	3.4
105.04510	6.8
110.82555	0.5
114.63557	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	103.0546
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01584	0.8
50.06674	0.6
50.84527	0.6
51.02370	2.6
53.03944	26.6
55.01860	1.8
56.05024	3.5
57.03421	1.3
57.05358	2.7
58.02961	0.7
58.06599	4.1
59.06113	5.9
60.08154	6.6
61.43277	0.6
62.06080	7.4
63.89178	0.7
68.05002	0.8
69.03411	2.6
70.04877	1.4
70.05286	2.4
73.07664	1.4
77.03919	5.4
81.03390	2.2
85.02905	1.2
85.07665	1.8
86.06061	6.4
87.04454	5.3
95.04959	45.9
97.33295	0.6
102.04671	5.9
103.04025	4.2
103.05459	100.0
103.08682	12.2
104.05800	1.5
104.10734	12.0
105.04498	9.7
106.21745	0.6
118.06483	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	103.0545
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01579	0.8
51.02377	2.6
53.03939	19.2
55.01839	1.0
56.05014	1.5
56.96549	0.8
57.03410	1.0
57.05354	1.8
58.03738	0.5
58.06593	2.4
59.05869	0.6
59.06119	6.0
60.04507	1.8
60.08156	3.2
61.04042	0.7
62.06084	2.6
65.59519	0.4
69.54556	3.5
69.54977	1.1
73.07669	1.0
74.74046	0.5
75.05579	0.6
77.03916	4.3
81.03415	2.4
85.02904	2.6
85.07681	0.6
86.03221	1.3
86.06049	3.2
87.04416	0.5
94.45547	0.5
95.04955	35.9
96.05299	0.7
98.20671	0.9
102.04692	5.4
103.04021	4.1
103.05455	100.0
103.08682	4.3
104.05774	1.7
104.10723	6.3
105.04496	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	103.0545
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	1.9
53.03939	21.2
55.01866	1.3
56.05031	10.5
56.96559	4.7
57.03427	6.0
57.04536	1.4
57.05363	9.6
58.02942	2.5
58.06363	0.8
58.06598	9.8
59.06115	28.7
60.02127	1.1
60.04514	8.8
60.08158	7.2
60.95840	1.1
61.04042	1.8
62.06080	19.7
62.92950	1.5
68.05007	1.4
69.03395	1.1
71.26091	2.0
72.04500	2.3
72.06870	1.2
72.08118	1.0
73.07658	5.5
74.06066	2.1
75.04469	1.0
75.05612	6.1
77.03916	2.5
81.03419	2.2
85.02881	9.3
85.04826	1.8
85.07652	4.7
86.02399	0.9
86.03231	5.4
86.06060	15.5
86.09679	1.6
87.04453	1.5
92.84505	1.0
95.04959	38.6
96.05237	0.9
102.04675	3.1
103.03970	15.3
103.05454	100.0
103.08688	36.6
104.05804	2.4
104.10726	16.3
105.04485	7.0
105.25864	0.8
122.59705	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1026.5884
Annotation	Unknow
Peak:m/z	Relative Intensity
71.08625	7.5
71.73650	1.1
81.07051	5.3
83.08602	2.9
85.10173	6.1
89.06019	1.0
95.08614	6.3
97.10149	0.8
98.98468	4.2
109.10155	3.5
120.91582	0.7
123.11681	1.7
124.01564	0.8
128.47192	0.6
141.09558	0.6
146.28827	0.6
155.01042	4.4
173.02005	0.9
179.74112	0.7
198.05379	1.2
216.06268	2.5
239.23697	1.1
240.05035	0.7
282.27884	14.2
283.28470	0.7
293.04230	0.6
313.27338	100.0
314.27710	1.9
332.96994	0.7
335.50369	0.7
346.91562	0.7
377.75821	0.6
393.23975	7.8
436.28217	27.7
437.27487	0.7
454.29242	30.4
455.29947	1.0
937.97546	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	101.0087
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	0.4
53.03946	2.5
55.01863	4.0
55.05507	16.7
56.05033	11.3
56.05836	0.6
56.96561	26.0
57.03207	0.4
57.03436	4.6
57.04542	1.1
57.05350	0.3
57.05808	0.6
57.07060	0.9
58.00566	0.5
58.02953	0.7
58.06593	3.7
58.96158	2.7
58.99583	0.5
58.99842	2.1
59.04998	7.6
59.06120	14.9
59.52180	0.7
59.93092	0.8
59.96161	1.2
59.99930	1.0
60.04515	4.9
60.95846	8.2
61.02911	1.0
65.52167	0.3
66.04700	0.5
67.05492	1.0
67.90266	0.3
68.00259	0.6
68.02639	1.1
68.05006	0.4
68.99774	0.5
69.01900	1.0
69.03426	0.4
70.06583	0.5
70.98105	0.5
70.99842	0.8
71.01365	1.8
71.04983	2.9
71.73460	0.3
71.95256	1.1
72.04489	0.7
72.07768	0.5
72.08146	7.3
72.52950	0.7
73.02522	0.6
73.02908	6.7
73.06528	0.8
73.94850	0.4
74.00655	0.4
74.02422	1.1
74.06070	1.9
74.97579	0.5
75.01016	1.5
75.37260	0.3
76.51563	0.4
77.00867	5.6
78.00966	0.9
78.52937	1.4
79.00655	0.4
79.01837	1.1
82.01420	0.9
82.99834	0.8
83.00777	1.9
83.01501	1.3
83.04973	8.9
83.06082	1.4
83.06876	0.5
84.01601	0.8
84.04497	5.5
84.06861	0.7
84.08138	5.7
84.52905	0.4
85.01095	0.9
85.02899	9.2
85.50165	0.4
86.01298	0.9
86.52708	0.5
87.01897	0.7
87.06844	0.4
88.51572	0.6
88.52506	0.5
88.74979	0.3
89.00275	0.4
89.00837	1.3
90.01556	0.7
92.01291	0.5
94.51582	0.4
95.01952	2.1
96.02061	0.4
97.02330	0.6
98.00725	0.4
98.01279	1.0
98.97570	3.0
100.02470	4.6
101.00872	12.5
101.02518	13.1
101.03325	0.7
101.06029	3.8
101.07130	3.8
101.07928	2.5
101.10902	0.6
101.11579	7.3
102.01178	0.5
102.02235	7.5
102.02906	0.7
102.03742	0.5
102.05525	2.8
102.09161	5.7
102.12807	1.2
103.02388	0.7
110.97548	0.5
114.03911	0.4
115.01127	0.6
115.02402	0.4
116.98620	2.7
118.03499	3.4
119.01910	100.0
119.03603	11.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1007.5461
Annotation	Unknow
Peak:m/z	Relative Intensity
70.66080	0.8
71.08624	10.8
79.05462	0.6
81.03401	2.1
81.06609	0.4
81.07047	6.1
83.08610	3.8
83.30154	0.3
83.73675	0.3
85.02902	0.6
85.06525	0.3
85.09676	0.3
85.10178	6.6
89.06007	0.4
93.07026	0.4
95.07996	0.6
95.08591	8.9
97.10151	1.8
98.98454	21.7
99.11704	0.4
103.07561	0.3
109.02864	2.6
109.10145	3.7
111.11698	0.5
116.99478	0.8
119.60764	0.3
123.11711	1.9
125.48557	0.3
127.03938	0.3
127.65546	0.2
135.06857	0.3
137.13252	0.6
139.14786	0.3
145.04939	0.3
155.01018	17.3
173.02090	1.2
239.23651	2.0
261.03793	1.3
313.27325	100.0
314.27661	2.8
317.06274	3.2
335.07349	1.7
337.27374	1.5
383.27652	0.3
393.23950	6.0
401.28909	3.0
422.12592	0.3
537.20563	0.5
537.28198	7.6
538.28772	0.4
555.29095	3.0
607.14734	0.3
937.13074	0.4
962.05707	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	101.0087
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05024	17.8
56.96557	23.7
57.04556	2.7
58.96164	10.4
59.05834	3.0
59.06114	40.6
60.04513	8.1
60.95844	16.5
68.02645	2.9
71.55611	3.0
71.55954	2.5
74.06066	3.2
77.00874	3.3
79.01863	3.0
83.01517	6.8
83.06087	2.6
84.01170	3.3
84.04475	5.7
88.02360	4.5
92.03323	2.2
100.02466	7.2
100.97177	4.1
101.00865	21.9
101.02541	40.6
101.07124	8.9
102.02219	16.7
103.01521	2.0
104.27679	2.2
118.03554	4.8
118.98189	2.3
118.99014	2.6
119.01906	100.0
119.03586	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	101.0087
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	0.4
53.03946	2.5
55.01863	4.0
55.05507	16.7
56.05033	11.3
56.05836	0.6
56.96561	26.0
57.03207	0.4
57.03436	4.6
57.04542	1.1
57.05350	0.3
57.05808	0.6
57.07060	0.9
58.00566	0.5
58.02953	0.7
58.06593	3.7
58.96158	2.7
58.99583	0.5
58.99842	2.1
59.04998	7.6
59.06120	14.9
59.52180	0.7
59.93092	0.8
59.96161	1.2
59.99930	1.0
60.04515	4.9
60.95846	8.2
61.02911	1.0
65.52167	0.3
66.04700	0.5
67.05492	1.0
67.90266	0.3
68.00259	0.6
68.02639	1.1
68.05006	0.4
68.99774	0.5
69.01900	1.0
69.03426	0.4
70.06583	0.5
70.98105	0.5
70.99842	0.8
71.01365	1.8
71.04983	2.9
71.73460	0.3
71.95256	1.1
72.04489	0.7
72.07768	0.5
72.08146	7.3
72.52950	0.7
73.02522	0.6
73.02908	6.7
73.06528	0.8
73.94850	0.4
74.00655	0.4
74.02422	1.1
74.06070	1.9
74.97579	0.5
75.01016	1.5
75.37260	0.3
76.51563	0.4
77.00867	5.6
78.00966	0.9
78.52937	1.4
79.00655	0.4
79.01837	1.1
82.01420	0.9
82.99834	0.8
83.00777	1.9
83.01501	1.3
83.04973	8.9
83.06082	1.4
83.06876	0.5
84.01601	0.8
84.04497	5.5
84.06861	0.7
84.08138	5.7
84.52905	0.4
85.01095	0.9
85.02899	9.2
85.50165	0.4
86.01298	0.9
86.52708	0.5
87.01897	0.7
87.06844	0.4
88.51572	0.6
88.52506	0.5
88.74979	0.3
89.00275	0.4
89.00837	1.3
90.01556	0.7
92.01291	0.5
94.51582	0.4
95.01952	2.1
96.02061	0.4
97.02330	0.6
98.00725	0.4
98.01279	1.0
98.97570	3.0
100.02470	4.6
101.00872	12.5
101.02518	13.1
101.03325	0.7
101.06029	3.8
101.07130	3.8
101.07928	2.5
101.10902	0.6
101.11579	7.3
102.01178	0.5
102.02235	7.5
102.02906	0.7
102.03742	0.5
102.05525	2.8
102.09161	5.7
102.12807	1.2
103.02388	0.7
110.97548	0.5
114.03911	0.4
115.01127	0.6
115.02402	0.4
116.98620	2.7
118.03499	3.4
119.01910	100.0
119.03603	11.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1003.4021
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06581	4.4
71.04230	1.8
71.04550	1.3
72.08144	1.5
79.05465	1.5
80.04993	1.3
81.03433	1.3
82.06573	1.1
84.04481	1.5
84.08123	1.3
85.02885	6.2
86.09710	2.0
91.05478	2.8
93.05753	1.1
93.07037	2.5
94.06563	9.3
94.99802	0.9
95.07330	3.2
96.08128	10.2
97.02882	4.2
97.06512	1.2
99.04301	1.0
101.07156	1.2
103.05462	1.5
105.06945	1.3
106.06538	3.9
107.07333	1.9
108.08102	12.6
109.02863	1.2
110.06047	1.4
110.07170	1.6
110.09660	16.0
110.10410	1.1
118.06483	0.9
119.01891	1.0
120.04460	2.3
120.08080	14.0
122.06013	13.3
122.09670	3.5
124.07587	7.0
127.03914	1.9
134.05998	3.2
134.09656	2.4
136.07555	16.1
137.08295	1.0
138.05548	2.2
138.09123	26.0
140.07056	1.4
144.04472	2.0
146.06006	16.3
146.09621	1.1
148.07558	11.8
150.09126	11.0
152.07053	13.6
154.08569	1.2
158.05962	1.2
160.07550	2.1
162.05495	3.1
164.07069	8.0
166.08620	66.8
167.08932	1.6
170.51707	1.0
172.03918	21.8
174.05536	2.4
174.09123	1.4
176.03406	1.0
176.07051	2.1
182.08115	2.9
190.04973	15.6
192.06589	1.1
197.10747	1.8
198.11513	2.0
203.44955	1.3
204.06554	31.5
208.09830	0.9
209.10783	1.7
210.11430	2.3
211.12277	5.1
213.13823	1.3
216.06543	1.0
218.08104	2.8
220.09738	1.0
223.12364	3.4
224.13031	1.4
225.10231	4.8
225.13811	1.6
226.11015	2.6
227.11873	4.5
235.08633	1.4
235.12227	2.5
236.09325	2.8
237.10167	7.6
237.13863	2.8
238.10989	4.0
239.11769	11.3
240.12708	1.6
241.13248	2.8
243.11241	1.3
246.07613	1.3
248.09502	2.9
249.10179	13.3
250.10945	9.4
251.11768	18.4
252.08755	1.5
252.12463	4.7
253.09608	2.2
253.13260	6.6
255.11327	3.6
255.14827	1.3
256.12012	1.4
257.12808	1.9
259.14243	1.4
263.11768	28.5
264.08920	4.1
264.12448	6.8
265.09723	4.5
265.13354	14.9
266.10489	3.9
266.14001	1.9
267.11258	10.7
267.14114	1.4
269.12753	5.2
271.11014	2.0
271.14392	6.0
273.12277	3.7
275.11780	1.1
276.08878	1.4
277.09781	5.7
277.12497	1.0
278.10519	6.1
279.11273	26.2
280.12018	2.1
281.12820	16.1
282.10019	2.5
282.13284	1.5
283.10712	3.9
284.11557	2.2
285.12296	13.0
287.13943	2.3
291.11234	32.1
292.11920	6.8
293.12805	24.4
294.09888	1.6
295.10764	7.6
296.11530	3.1
297.12314	40.9
298.12955	3.0
299.13873	22.2
305.14941	1.8
307.10815	5.9
309.12311	25.1
310.12982	1.4
311.10150	3.1
311.13757	16.0
312.14484	1.2
313.15414	1.8
315.13318	12.9
319.10678	20.7
321.12329	4.1
323.10297	6.3
323.16287	1.8
325.11783	34.9
326.12097	1.3
327.13245	7.3
337.11789	100.0
338.12094	3.0
339.13480	6.4
341.11270	2.6
341.15164	1.5
343.12906	4.0
351.13602	1.4
355.12793	5.6
357.14456	13.3
358.14893	1.5
359.16040	1.2
362.18509	1.1
369.14496	6.2
371.15988	3.8
373.13986	1.4
374.18961	1.4
375.15768	1.3
384.13440	1.3
398.15015	1.4
399.15515	1.7
400.15738	1.2
401.13327	7.3
402.18213	1.2
404.19870	2.1
416.15924	2.6
418.21674	2.1
421.19998	1.1
430.17319	2.1
432.19028	2.9
433.15790	1.3
444.19211	3.5
446.21011	5.8
448.18063	2.3
449.19705	2.3
450.20190	3.9
458.17026	3.2
461.19391	1.6
462.20261	7.2
464.22003	24.3
465.22006	1.8
472.18854	5.0
474.20004	2.5
476.17838	3.3
482.19098	2.6
487.17435	4.8
490.19653	41.7
490.26849	2.0
492.21036	1.7
494.19220	1.3
508.20758	5.5
514.21838	2.9
522.22314	23.3
523.22803	1.5
526.21759	2.2
587.25067	1.4
603.27710	3.0
608.25604	1.6
611.24805	7.5
612.25372	1.2
619.26654	1.6
626.27032	37.6
627.26575	2.1
629.26080	17.4
630.25946	1.2
634.24103	4.8
643.27240	3.6
647.27124	52.1
648.26843	2.2
652.24945	87.7
653.25305	4.0
661.28076	1.9
670.25732	3.8
679.29803	19.0
684.27612	47.1
685.27563	3.2
765.32288	1.1
773.29449	3.1
791.30920	7.1
809.17603	2.1
809.32263	36.9
810.32281	2.4
814.30737	4.4
841.19885	1.3
841.34613	19.2
842.34387	1.3
971.36926	1.9
1034.67383	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1001.3867
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06581	2.1
71.73480	1.8
72.08134	1.4
79.05502	1.6
80.05016	1.1
81.03452	1.3
82.06558	0.9
85.02901	3.8
91.05482	2.3
93.05793	1.4
93.07042	1.9
94.06579	6.4
95.07352	1.8
96.08086	5.9
97.02888	2.3
106.06546	1.2
107.04945	0.9
108.04491	2.2
108.08117	10.3
109.02896	1.2
110.07204	1.0
110.09672	9.3
116.04977	3.3
120.04455	3.4
120.08100	7.9
122.06012	7.5
122.09659	1.7
124.07571	6.6
134.06059	3.1
135.38370	0.9
136.07562	11.7
138.09135	11.6
144.04425	3.6
146.06009	6.5
148.07567	4.3
150.09105	2.2
152.07050	3.4
160.03966	3.2
160.07690	1.0
162.05527	4.0
164.07079	1.8
166.08623	18.9
172.03937	26.0
172.05376	1.9
173.08232	1.0
174.05510	2.1
176.07050	4.6
186.05463	1.1
188.07243	1.4
190.04979	25.3
197.10780	1.1
198.09286	1.3
199.08621	1.6
199.42357	1.0
201.10133	1.4
204.06551	48.8
205.06859	1.4
211.08618	1.3
211.12292	0.8
212.09392	1.5
213.10202	4.3
215.11821	2.2
221.10698	1.1
223.08665	1.2
223.12350	1.3
225.10243	2.6
226.10941	1.9
227.11757	2.6
235.08601	1.1
237.10225	2.3
238.10991	3.2
239.11755	2.9
241.09721	4.2
243.11229	15.3
248.09538	0.9
249.10219	3.1
250.10905	1.3
251.11813	2.8
253.09682	2.2
255.11263	3.3
257.12787	1.9
263.08130	1.9
264.08844	2.7
265.09720	1.7
266.10522	1.3
267.11276	2.1
269.09186	3.7
269.12958	1.0
271.10867	3.2
273.12372	4.1
277.09677	2.5
279.11325	4.6
281.09613	1.0
281.12805	1.8
283.10730	8.6
284.11404	1.2
285.12314	22.1
287.10324	8.5
294.10193	1.0
295.10779	1.4
297.12259	8.8
299.10706	1.3
299.13773	4.6
301.11743	2.2
302.12677	1.9
303.09927	1.6
303.13397	28.3
304.13907	1.5
305.09366	1.1
307.10812	2.9
309.12173	1.4
311.10312	1.9
313.11954	2.7
316.14359	2.1
323.10294	6.8
325.11816	22.6
326.12479	1.4
327.13565	4.6
328.14594	1.3
329.11316	1.4
329.15213	1.7
330.12387	2.5
332.13632	0.9
337.11853	1.3
339.13431	1.0
342.12146	1.9
342.15857	1.5
343.13028	7.5
344.10291	1.0
344.13644	4.5
345.14847	1.4
346.15607	2.6
354.12256	1.4
356.13992	1.7
357.14468	24.3
358.15631	5.6
359.16568	1.5
360.13373	1.6
367.13168	1.4
368.13910	1.5
370.11804	1.2
371.12350	4.4
372.13446	4.1
373.14148	3.3
374.14899	2.7
376.16620	1.7
381.10815	1.5
382.15622	1.3
384.13162	1.1
385.14404	3.7
386.15027	11.0
387.15988	6.1
388.16959	1.1
392.15964	0.9
394.17511	2.0
396.13248	2.0
401.13635	1.8
402.14291	2.7
402.18765	1.3
403.15186	1.3
404.15848	4.3
406.17691	3.1
410.15237	1.2
412.16510	1.6
414.14368	13.8
415.15268	23.0
416.15939	3.7
418.17471	3.4
420.15427	5.4
428.15967	2.9
430.17416	4.6
432.15533	16.7
433.16211	1.0
438.15439	3.1
444.15167	5.3
445.16888	1.5
446.17258	6.0
456.15665	9.8
462.16632	7.7
465.18869	3.1
474.16583	25.2
475.16986	2.0
476.18079	1.3
487.17035	11.6
488.17804	1.4
494.18918	2.7
506.19138	6.7
519.19501	2.0
583.24976	1.9
585.23358	5.0
591.22357	1.8
599.25287	2.0
601.26953	1.2
609.23303	7.6
613.21265	1.0
627.24469	100.0
628.24597	5.6
636.21808	1.6
641.25452	4.6
659.27100	37.0
660.26733	2.6
668.24646	1.1
753.26886	2.1
771.28314	6.2
789.29688	46.3
790.29401	3.3
803.30481	2.9
821.31927	11.3
822.32489	1.8
951.34918	9.0
983.37750	2.2
END